USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 754 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 30 CYS SG : rot -10:sc= -0.508 USER MOD Set 1.2: A 80 CYS SG : rot 118:sc= 0.381 USER MOD Set 2.1: A 25 THR OG1 : rot -25:sc= 0.667 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 ASN : amide:sc= 0.215 K(o=0.22,f=-10!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.182 USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.17 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.589 K(o=-0.59,f=0.71) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 116:sc= 0.358 USER MOD Single : A 34 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-0.91) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0.772 (180deg=0.762) USER MOD Single : A 54 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-6!) USER MOD Single : A 55 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.34) USER MOD Single : A 57 SER OG : rot 30:sc= 0.483 USER MOD Single : A 58 GLN : amide:sc= -0.646 X(o=-0.65,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -68:sc= 1.09 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -29:sc= 0.153 USER MOD Single : A 79 THR OG1 : rot -140:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0725 K(o=-0.073,f=-1.3) USER MOD Single : A 86 GLN : amide:sc= -5.18! C(o=-5.2!,f=-5.2!) USER MOD Single : A 87 SER OG : rot 100:sc= 0.131 USER MOD Single : A 90 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.2) USER MOD Single : A 94 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.016) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.214 25.722 -4.744 1.00 0.00 N ATOM 2 CA GLY A 1 -1.767 25.765 -4.852 1.00 0.00 C ATOM 3 C GLY A 1 -1.176 27.017 -4.236 1.00 0.00 C ATOM 4 O GLY A 1 -1.358 27.277 -3.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.569 24.847 -5.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.488 25.745 -3.741 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.623 26.543 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.343 24.888 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.483 25.712 -5.903 1.00 0.00 H new ATOM 8 N SER A 2 -0.465 27.795 -5.046 1.00 0.00 N ATOM 9 CA SER A 2 0.160 29.024 -4.572 1.00 0.00 C ATOM 10 C SER A 2 0.444 29.972 -5.733 1.00 0.00 C ATOM 11 O SER A 2 0.218 29.633 -6.895 1.00 0.00 O ATOM 12 CB SER A 2 1.458 28.707 -3.828 1.00 0.00 C ATOM 13 OG SER A 2 2.321 27.913 -4.624 1.00 0.00 O ATOM 0 H SER A 2 -0.307 27.596 -6.034 1.00 0.00 H new ATOM 0 HA SER A 2 -0.532 29.514 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.961 29.635 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.230 28.183 -2.900 1.00 0.00 H new ATOM 0 HG SER A 2 3.144 27.725 -4.127 1.00 0.00 H new ATOM 19 N SER A 3 0.940 31.162 -5.410 1.00 0.00 N ATOM 20 CA SER A 3 1.251 32.162 -6.425 1.00 0.00 C ATOM 21 C SER A 3 2.757 32.395 -6.513 1.00 0.00 C ATOM 22 O SER A 3 3.214 33.530 -6.634 1.00 0.00 O ATOM 23 CB SER A 3 0.538 33.478 -6.111 1.00 0.00 C ATOM 24 OG SER A 3 0.840 33.921 -4.799 1.00 0.00 O ATOM 0 H SER A 3 1.135 31.457 -4.453 1.00 0.00 H new ATOM 0 HA SER A 3 0.901 31.788 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.837 34.238 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.539 33.346 -6.215 1.00 0.00 H new ATOM 0 HG SER A 3 0.374 34.765 -4.623 1.00 0.00 H new ATOM 30 N GLY A 4 3.522 31.309 -6.453 1.00 0.00 N ATOM 31 CA GLY A 4 4.967 31.415 -6.527 1.00 0.00 C ATOM 32 C GLY A 4 5.631 30.090 -6.845 1.00 0.00 C ATOM 33 O GLY A 4 4.953 29.085 -7.059 1.00 0.00 O ATOM 0 H GLY A 4 3.167 30.358 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.236 32.145 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.350 31.791 -5.578 1.00 0.00 H new ATOM 37 N SER A 5 6.959 30.088 -6.878 1.00 0.00 N ATOM 38 CA SER A 5 7.714 28.877 -7.178 1.00 0.00 C ATOM 39 C SER A 5 7.725 27.932 -5.980 1.00 0.00 C ATOM 40 O SER A 5 7.976 28.349 -4.849 1.00 0.00 O ATOM 41 CB SER A 5 9.149 29.230 -7.576 1.00 0.00 C ATOM 42 OG SER A 5 9.963 28.072 -7.629 1.00 0.00 O ATOM 0 H SER A 5 7.535 30.911 -6.701 1.00 0.00 H new ATOM 0 HA SER A 5 7.226 28.373 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.149 29.723 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.565 29.938 -6.859 1.00 0.00 H new ATOM 0 HG SER A 5 10.874 28.324 -7.887 1.00 0.00 H new ATOM 48 N SER A 6 7.449 26.658 -6.237 1.00 0.00 N ATOM 49 CA SER A 6 7.422 25.653 -5.181 1.00 0.00 C ATOM 50 C SER A 6 8.827 25.136 -4.887 1.00 0.00 C ATOM 51 O SER A 6 9.767 25.398 -5.637 1.00 0.00 O ATOM 52 CB SER A 6 6.511 24.490 -5.577 1.00 0.00 C ATOM 53 OG SER A 6 6.944 23.892 -6.787 1.00 0.00 O ATOM 0 H SER A 6 7.241 26.297 -7.168 1.00 0.00 H new ATOM 0 HA SER A 6 7.029 26.121 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.502 23.744 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.488 24.848 -5.690 1.00 0.00 H new ATOM 0 HG SER A 6 6.346 23.150 -7.018 1.00 0.00 H new ATOM 59 N GLY A 7 8.963 24.399 -3.788 1.00 0.00 N ATOM 60 CA GLY A 7 10.255 23.857 -3.414 1.00 0.00 C ATOM 61 C GLY A 7 10.249 22.343 -3.338 1.00 0.00 C ATOM 62 O GLY A 7 10.453 21.664 -4.344 1.00 0.00 O ATOM 0 H GLY A 7 8.201 24.168 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.004 24.178 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.551 24.265 -2.447 1.00 0.00 H new ATOM 66 N ALA A 8 10.017 21.813 -2.142 1.00 0.00 N ATOM 67 CA ALA A 8 9.984 20.370 -1.939 1.00 0.00 C ATOM 68 C ALA A 8 8.748 19.954 -1.148 1.00 0.00 C ATOM 69 O ALA A 8 8.081 20.787 -0.538 1.00 0.00 O ATOM 70 CB ALA A 8 11.248 19.908 -1.228 1.00 0.00 C ATOM 0 H ALA A 8 9.849 22.361 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 8 9.935 19.892 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.210 18.828 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.119 20.162 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.322 20.402 -0.259 1.00 0.00 H new ATOM 76 N ASN A 9 8.449 18.659 -1.165 1.00 0.00 N ATOM 77 CA ASN A 9 7.292 18.132 -0.450 1.00 0.00 C ATOM 78 C ASN A 9 7.703 17.013 0.501 1.00 0.00 C ATOM 79 O ASN A 9 8.763 16.407 0.341 1.00 0.00 O ATOM 80 CB ASN A 9 6.246 17.617 -1.441 1.00 0.00 C ATOM 81 CG ASN A 9 4.860 17.538 -0.829 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.691 17.720 0.377 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.861 17.266 -1.661 1.00 0.00 N ATOM 0 H ASN A 9 8.992 17.955 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 9 6.859 18.942 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.219 18.273 -2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.541 16.629 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.906 17.201 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.048 17.123 -2.653 1.00 0.00 H new ATOM 90 N CYS A 10 6.857 16.743 1.489 1.00 0.00 N ATOM 91 CA CYS A 10 7.132 15.696 2.466 1.00 0.00 C ATOM 92 C CYS A 10 5.836 15.065 2.967 1.00 0.00 C ATOM 93 O CYS A 10 4.744 15.455 2.553 1.00 0.00 O ATOM 94 CB CYS A 10 7.925 16.264 3.644 1.00 0.00 C ATOM 95 SG CYS A 10 9.026 15.069 4.438 1.00 0.00 S ATOM 0 H CYS A 10 5.975 17.235 1.634 1.00 0.00 H new ATOM 0 HA CYS A 10 7.725 14.924 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.516 17.111 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.226 16.648 4.387 1.00 0.00 H new ATOM 0 HG CYS A 10 9.654 15.644 5.420 1.00 0.00 H new ATOM 101 N PHE A 11 5.966 14.088 3.858 1.00 0.00 N ATOM 102 CA PHE A 11 4.805 13.401 4.413 1.00 0.00 C ATOM 103 C PHE A 11 4.580 13.803 5.868 1.00 0.00 C ATOM 104 O PHE A 11 5.407 13.524 6.737 1.00 0.00 O ATOM 105 CB PHE A 11 4.987 11.885 4.313 1.00 0.00 C ATOM 106 CG PHE A 11 4.770 11.346 2.928 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.793 11.365 1.994 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.542 10.820 2.559 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.597 10.869 0.719 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.340 10.323 1.286 1.00 0.00 C ATOM 111 CZ PHE A 11 4.368 10.348 0.364 1.00 0.00 C ATOM 0 H PHE A 11 6.863 13.754 4.211 1.00 0.00 H new ATOM 0 HA PHE A 11 3.929 13.694 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.993 11.625 4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.292 11.398 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.756 11.772 2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.734 10.798 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.404 10.889 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.378 9.915 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.211 9.961 -0.632 1.00 0.00 H new ATOM 121 N THR A 12 3.454 14.460 6.127 1.00 0.00 N ATOM 122 CA THR A 12 3.119 14.902 7.474 1.00 0.00 C ATOM 123 C THR A 12 2.690 13.728 8.347 1.00 0.00 C ATOM 124 O THR A 12 2.973 13.698 9.544 1.00 0.00 O ATOM 125 CB THR A 12 1.993 15.953 7.458 1.00 0.00 C ATOM 126 OG1 THR A 12 0.912 15.500 6.635 1.00 0.00 O ATOM 127 CG2 THR A 12 2.507 17.288 6.939 1.00 0.00 C ATOM 0 H THR A 12 2.758 14.698 5.420 1.00 0.00 H new ATOM 0 HA THR A 12 4.020 15.352 7.891 1.00 0.00 H new ATOM 0 HB THR A 12 1.639 16.090 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.360 16.265 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.695 18.015 6.937 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.310 17.644 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.885 17.163 5.924 1.00 0.00 H new ATOM 135 N GLU A 13 2.007 12.763 7.739 1.00 0.00 N ATOM 136 CA GLU A 13 1.540 11.587 8.463 1.00 0.00 C ATOM 137 C GLU A 13 1.855 10.310 7.688 1.00 0.00 C ATOM 138 O GLU A 13 1.138 9.944 6.758 1.00 0.00 O ATOM 139 CB GLU A 13 0.034 11.683 8.718 1.00 0.00 C ATOM 140 CG GLU A 13 -0.319 12.362 10.031 1.00 0.00 C ATOM 141 CD GLU A 13 -1.805 12.626 10.170 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.603 11.771 9.733 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.171 13.688 10.716 1.00 0.00 O ATOM 0 H GLU A 13 1.765 12.773 6.748 1.00 0.00 H new ATOM 0 HA GLU A 13 2.062 11.549 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.430 12.232 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.392 10.680 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.014 11.737 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.222 13.305 10.105 1.00 0.00 H new ATOM 150 N GLU A 14 2.933 9.638 8.080 1.00 0.00 N ATOM 151 CA GLU A 14 3.344 8.404 7.421 1.00 0.00 C ATOM 152 C GLU A 14 2.252 7.342 7.526 1.00 0.00 C ATOM 153 O GLU A 14 1.412 7.386 8.425 1.00 0.00 O ATOM 154 CB GLU A 14 4.642 7.879 8.038 1.00 0.00 C ATOM 155 CG GLU A 14 5.878 8.644 7.597 1.00 0.00 C ATOM 156 CD GLU A 14 7.078 8.376 8.485 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.099 8.890 9.623 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.995 7.654 8.042 1.00 0.00 O ATOM 0 H GLU A 14 3.537 9.927 8.850 1.00 0.00 H new ATOM 0 HA GLU A 14 3.514 8.623 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.564 7.927 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.761 6.828 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.122 8.371 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.660 9.712 7.600 1.00 0.00 H new ATOM 165 N LEU A 15 2.272 6.390 6.600 1.00 0.00 N ATOM 166 CA LEU A 15 1.284 5.316 6.586 1.00 0.00 C ATOM 167 C LEU A 15 1.339 4.509 7.879 1.00 0.00 C ATOM 168 O LEU A 15 2.264 4.658 8.678 1.00 0.00 O ATOM 169 CB LEU A 15 1.518 4.396 5.387 1.00 0.00 C ATOM 170 CG LEU A 15 1.150 4.971 4.018 1.00 0.00 C ATOM 171 CD1 LEU A 15 1.926 4.265 2.917 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.348 4.854 3.777 1.00 0.00 C ATOM 0 H LEU A 15 2.961 6.339 5.849 1.00 0.00 H new ATOM 0 HA LEU A 15 0.295 5.767 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.571 4.115 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.947 3.480 5.540 1.00 0.00 H new ATOM 0 HG LEU A 15 1.419 6.027 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.651 4.687 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.995 4.400 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.688 3.201 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.593 5.268 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.641 3.805 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.885 5.406 4.549 1.00 0.00 H new ATOM 184 N THR A 16 0.343 3.652 8.078 1.00 0.00 N ATOM 185 CA THR A 16 0.278 2.820 9.273 1.00 0.00 C ATOM 186 C THR A 16 0.018 1.361 8.914 1.00 0.00 C ATOM 187 O THR A 16 -0.883 1.055 8.136 1.00 0.00 O ATOM 188 CB THR A 16 -0.823 3.303 10.236 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.897 2.435 11.372 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.173 3.347 9.535 1.00 0.00 C ATOM 0 H THR A 16 -0.430 3.516 7.427 1.00 0.00 H new ATOM 0 HA THR A 16 1.246 2.903 9.768 1.00 0.00 H new ATOM 0 HB THR A 16 -0.570 4.310 10.566 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.598 2.750 11.980 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.935 3.691 10.234 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.121 4.032 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.431 2.350 9.179 1.00 0.00 H new ATOM 198 N ASN A 17 0.815 0.465 9.488 1.00 0.00 N ATOM 199 CA ASN A 17 0.670 -0.963 9.228 1.00 0.00 C ATOM 200 C ASN A 17 -0.754 -1.428 9.517 1.00 0.00 C ATOM 201 O ASN A 17 -1.291 -1.183 10.598 1.00 0.00 O ATOM 202 CB ASN A 17 1.661 -1.760 10.078 1.00 0.00 C ATOM 203 CG ASN A 17 1.785 -1.214 11.487 1.00 0.00 C ATOM 204 OD1 ASN A 17 0.789 -1.057 12.194 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.011 -0.920 11.902 1.00 0.00 N ATOM 0 H ASN A 17 1.567 0.702 10.135 1.00 0.00 H new ATOM 0 HA ASN A 17 0.883 -1.138 8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.342 -2.801 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.640 -1.746 9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.156 -0.548 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.808 -1.066 11.282 1.00 0.00 H new ATOM 212 N LEU A 18 -1.360 -2.099 8.545 1.00 0.00 N ATOM 213 CA LEU A 18 -2.723 -2.599 8.694 1.00 0.00 C ATOM 214 C LEU A 18 -2.732 -4.118 8.837 1.00 0.00 C ATOM 215 O LEU A 18 -1.764 -4.790 8.483 1.00 0.00 O ATOM 216 CB LEU A 18 -3.575 -2.183 7.494 1.00 0.00 C ATOM 217 CG LEU A 18 -3.730 -0.678 7.271 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.466 -0.405 5.968 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.461 -0.039 8.443 1.00 0.00 C ATOM 0 H LEU A 18 -0.930 -2.310 7.645 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.146 -2.164 9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.140 -2.620 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.568 -2.617 7.611 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.736 -0.235 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.567 0.671 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.903 -0.830 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.456 -0.860 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.563 1.032 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.450 -0.486 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.894 -0.205 9.359 1.00 0.00 H new ATOM 231 N GLN A 19 -3.834 -4.651 9.356 1.00 0.00 N ATOM 232 CA GLN A 19 -3.970 -6.091 9.544 1.00 0.00 C ATOM 233 C GLN A 19 -5.394 -6.547 9.243 1.00 0.00 C ATOM 234 O GLN A 19 -6.327 -6.230 9.980 1.00 0.00 O ATOM 235 CB GLN A 19 -3.589 -6.478 10.974 1.00 0.00 C ATOM 236 CG GLN A 19 -2.116 -6.814 11.141 1.00 0.00 C ATOM 237 CD GLN A 19 -1.597 -6.490 12.528 1.00 0.00 C ATOM 238 OE1 GLN A 19 -1.418 -7.380 13.360 1.00 0.00 O ATOM 239 NE2 GLN A 19 -1.352 -5.210 12.785 1.00 0.00 N ATOM 0 H GLN A 19 -4.645 -4.108 9.653 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.294 -6.589 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.844 -5.657 11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.186 -7.337 11.281 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.964 -7.874 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.535 -6.262 10.402 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.515 -4.505 12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.001 -4.932 13.702 1.00 0.00 H new ATOM 248 N VAL A 20 -5.553 -7.293 8.154 1.00 0.00 N ATOM 249 CA VAL A 20 -6.863 -7.794 7.756 1.00 0.00 C ATOM 250 C VAL A 20 -6.753 -9.172 7.114 1.00 0.00 C ATOM 251 O VAL A 20 -5.673 -9.586 6.694 1.00 0.00 O ATOM 252 CB VAL A 20 -7.555 -6.834 6.770 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.062 -7.037 6.795 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.199 -5.391 7.093 1.00 0.00 C ATOM 0 H VAL A 20 -4.791 -7.563 7.532 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.463 -7.866 8.663 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.199 -7.056 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.533 -6.350 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.296 -8.063 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.439 -6.843 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.697 -4.727 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.525 -5.154 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.120 -5.257 7.019 1.00 0.00 H new ATOM 264 N GLU A 21 -7.878 -9.877 7.041 1.00 0.00 N ATOM 265 CA GLU A 21 -7.907 -11.209 6.450 1.00 0.00 C ATOM 266 C GLU A 21 -8.046 -11.128 4.932 1.00 0.00 C ATOM 267 O GLU A 21 -8.785 -10.295 4.411 1.00 0.00 O ATOM 268 CB GLU A 21 -9.060 -12.027 7.036 1.00 0.00 C ATOM 269 CG GLU A 21 -9.406 -11.652 8.467 1.00 0.00 C ATOM 270 CD GLU A 21 -10.359 -12.638 9.114 1.00 0.00 C ATOM 271 OE1 GLU A 21 -9.939 -13.785 9.376 1.00 0.00 O ATOM 272 OE2 GLU A 21 -11.524 -12.263 9.359 1.00 0.00 O ATOM 0 H GLU A 21 -8.780 -9.548 7.384 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.964 -11.703 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.943 -11.894 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.799 -13.085 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.490 -11.597 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.853 -10.658 8.480 1.00 0.00 H new ATOM 279 N GLU A 22 -7.328 -12.000 4.231 1.00 0.00 N ATOM 280 CA GLU A 22 -7.370 -12.026 2.773 1.00 0.00 C ATOM 281 C GLU A 22 -8.795 -11.818 2.267 1.00 0.00 C ATOM 282 O GLU A 22 -9.761 -11.987 3.010 1.00 0.00 O ATOM 283 CB GLU A 22 -6.819 -13.353 2.248 1.00 0.00 C ATOM 284 CG GLU A 22 -7.763 -14.527 2.451 1.00 0.00 C ATOM 285 CD GLU A 22 -7.611 -15.590 1.381 1.00 0.00 C ATOM 286 OE1 GLU A 22 -7.707 -15.246 0.184 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.394 -16.766 1.740 1.00 0.00 O ATOM 0 H GLU A 22 -6.711 -12.697 4.648 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.748 -11.211 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.602 -13.252 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.874 -13.567 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.578 -14.972 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.791 -14.165 2.455 1.00 0.00 H new ATOM 294 N LYS A 23 -8.916 -11.449 0.996 1.00 0.00 N ATOM 295 CA LYS A 23 -10.221 -11.218 0.387 1.00 0.00 C ATOM 296 C LYS A 23 -10.997 -10.152 1.153 1.00 0.00 C ATOM 297 O LYS A 23 -12.227 -10.167 1.183 1.00 0.00 O ATOM 298 CB LYS A 23 -11.025 -12.519 0.347 1.00 0.00 C ATOM 299 CG LYS A 23 -10.461 -13.554 -0.612 1.00 0.00 C ATOM 300 CD LYS A 23 -10.793 -13.216 -2.056 1.00 0.00 C ATOM 301 CE LYS A 23 -10.915 -14.470 -2.908 1.00 0.00 C ATOM 302 NZ LYS A 23 -11.678 -14.216 -4.161 1.00 0.00 N ATOM 0 H LYS A 23 -8.126 -11.303 0.368 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.062 -10.865 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.060 -12.946 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.052 -12.293 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.379 -13.613 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.863 -14.537 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.728 -12.657 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.018 -12.570 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.920 -14.838 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.410 -15.253 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.739 -15.095 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.636 -13.889 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.192 -13.487 -4.722 1.00 0.00 H new ATOM 316 N GLY A 24 -10.270 -9.225 1.770 1.00 0.00 N ATOM 317 CA GLY A 24 -10.908 -8.163 2.526 1.00 0.00 C ATOM 318 C GLY A 24 -10.817 -6.820 1.830 1.00 0.00 C ATOM 319 O GLY A 24 -11.185 -6.691 0.662 1.00 0.00 O ATOM 0 H GLY A 24 -9.251 -9.191 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.956 -8.415 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.443 -8.091 3.509 1.00 0.00 H new ATOM 323 N THR A 25 -10.326 -5.815 2.548 1.00 0.00 N ATOM 324 CA THR A 25 -10.190 -4.474 1.994 1.00 0.00 C ATOM 325 C THR A 25 -9.295 -3.605 2.870 1.00 0.00 C ATOM 326 O THR A 25 -9.675 -3.222 3.976 1.00 0.00 O ATOM 327 CB THR A 25 -11.561 -3.788 1.840 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.428 -4.600 1.041 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.410 -2.416 1.202 1.00 0.00 C ATOM 0 H THR A 25 -10.016 -5.905 3.515 1.00 0.00 H new ATOM 0 HA THR A 25 -9.734 -4.583 1.010 1.00 0.00 H new ATOM 0 HB THR A 25 -11.995 -3.663 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.891 -5.175 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.391 -1.951 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.773 -1.791 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.957 -2.521 0.216 1.00 0.00 H new ATOM 337 N ALA A 26 -8.104 -3.296 2.367 1.00 0.00 N ATOM 338 CA ALA A 26 -7.155 -2.469 3.103 1.00 0.00 C ATOM 339 C ALA A 26 -6.933 -1.133 2.404 1.00 0.00 C ATOM 340 O ALA A 26 -6.493 -1.087 1.255 1.00 0.00 O ATOM 341 CB ALA A 26 -5.834 -3.205 3.272 1.00 0.00 C ATOM 0 H ALA A 26 -7.773 -3.606 1.453 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.575 -2.268 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.135 -2.576 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.001 -4.131 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.418 -3.436 2.291 1.00 0.00 H new ATOM 347 N VAL A 27 -7.242 -0.045 3.103 1.00 0.00 N ATOM 348 CA VAL A 27 -7.076 1.293 2.548 1.00 0.00 C ATOM 349 C VAL A 27 -5.929 2.032 3.230 1.00 0.00 C ATOM 350 O VAL A 27 -6.063 2.499 4.362 1.00 0.00 O ATOM 351 CB VAL A 27 -8.365 2.124 2.692 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.154 3.532 2.157 1.00 0.00 C ATOM 353 CG2 VAL A 27 -9.521 1.441 1.977 1.00 0.00 C ATOM 0 H VAL A 27 -7.609 -0.064 4.055 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.848 1.171 1.489 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.614 2.197 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.075 4.105 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.355 4.018 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.880 3.484 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.424 2.042 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.283 1.337 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.685 0.455 2.411 1.00 0.00 H new ATOM 363 N PHE A 28 -4.802 2.135 2.534 1.00 0.00 N ATOM 364 CA PHE A 28 -3.631 2.817 3.072 1.00 0.00 C ATOM 365 C PHE A 28 -3.831 4.330 3.063 1.00 0.00 C ATOM 366 O PHE A 28 -3.728 4.976 2.020 1.00 0.00 O ATOM 367 CB PHE A 28 -2.385 2.451 2.263 1.00 0.00 C ATOM 368 CG PHE A 28 -1.695 1.210 2.752 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.310 1.093 4.078 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.431 0.161 1.887 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.675 -0.047 4.532 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.797 -0.982 2.335 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.417 -1.086 3.659 1.00 0.00 C ATOM 0 H PHE A 28 -4.675 1.755 1.596 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.494 2.492 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.667 2.313 1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.683 3.284 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.509 1.903 4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.724 0.237 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.381 -0.126 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.599 -1.794 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.081 -1.978 4.011 1.00 0.00 H new ATOM 383 N THR A 29 -4.118 4.889 4.235 1.00 0.00 N ATOM 384 CA THR A 29 -4.334 6.325 4.363 1.00 0.00 C ATOM 385 C THR A 29 -3.054 7.039 4.781 1.00 0.00 C ATOM 386 O THR A 29 -2.377 6.620 5.721 1.00 0.00 O ATOM 387 CB THR A 29 -5.440 6.637 5.389 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.392 5.692 6.464 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.813 6.597 4.734 1.00 0.00 C ATOM 0 H THR A 29 -4.206 4.369 5.108 1.00 0.00 H new ATOM 0 HA THR A 29 -4.645 6.686 3.383 1.00 0.00 H new ATOM 0 HB THR A 29 -5.270 7.640 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.097 5.898 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.578 6.820 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.857 7.337 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.989 5.605 4.319 1.00 0.00 H new ATOM 397 N CYS A 30 -2.727 8.117 4.078 1.00 0.00 N ATOM 398 CA CYS A 30 -1.526 8.890 4.376 1.00 0.00 C ATOM 399 C CYS A 30 -1.800 10.386 4.264 1.00 0.00 C ATOM 400 O CYS A 30 -2.915 10.802 3.950 1.00 0.00 O ATOM 401 CB CYS A 30 -0.392 8.494 3.430 1.00 0.00 C ATOM 402 SG CYS A 30 -0.864 8.460 1.685 1.00 0.00 S ATOM 0 H CYS A 30 -3.277 8.476 3.297 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.227 8.670 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.434 9.193 3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.023 7.509 3.715 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.154 8.582 1.582 1.00 0.00 H new ATOM 408 N LYS A 31 -0.776 11.191 4.524 1.00 0.00 N ATOM 409 CA LYS A 31 -0.904 12.641 4.453 1.00 0.00 C ATOM 410 C LYS A 31 0.366 13.274 3.894 1.00 0.00 C ATOM 411 O LYS A 31 1.436 12.664 3.912 1.00 0.00 O ATOM 412 CB LYS A 31 -1.206 13.216 5.839 1.00 0.00 C ATOM 413 CG LYS A 31 -2.051 14.477 5.804 1.00 0.00 C ATOM 414 CD LYS A 31 -2.149 15.121 7.177 1.00 0.00 C ATOM 415 CE LYS A 31 -3.032 16.359 7.150 1.00 0.00 C ATOM 416 NZ LYS A 31 -2.907 17.157 8.401 1.00 0.00 N ATOM 0 H LYS A 31 0.153 10.863 4.786 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.730 12.874 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.721 12.460 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.266 13.433 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.618 15.186 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.051 14.236 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.551 14.401 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.152 15.391 7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.762 16.979 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.071 16.061 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.524 17.992 8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.189 16.574 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.920 17.463 8.520 1.00 0.00 H new ATOM 430 N THR A 32 0.243 14.501 3.399 1.00 0.00 N ATOM 431 CA THR A 32 1.381 15.216 2.835 1.00 0.00 C ATOM 432 C THR A 32 1.356 16.689 3.230 1.00 0.00 C ATOM 433 O THR A 32 0.290 17.260 3.457 1.00 0.00 O ATOM 434 CB THR A 32 1.408 15.108 1.299 1.00 0.00 C ATOM 435 OG1 THR A 32 0.122 15.436 0.762 1.00 0.00 O ATOM 436 CG2 THR A 32 1.803 13.706 0.862 1.00 0.00 C ATOM 0 H THR A 32 -0.634 15.021 3.377 1.00 0.00 H new ATOM 0 HA THR A 32 2.279 14.749 3.240 1.00 0.00 H new ATOM 0 HB THR A 32 2.149 15.812 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.193 16.247 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.815 13.654 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.795 13.471 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.082 12.987 1.251 1.00 0.00 H new ATOM 444 N GLU A 33 2.535 17.296 3.308 1.00 0.00 N ATOM 445 CA GLU A 33 2.646 18.703 3.675 1.00 0.00 C ATOM 446 C GLU A 33 2.017 19.595 2.609 1.00 0.00 C ATOM 447 O GLU A 33 1.369 20.594 2.922 1.00 0.00 O ATOM 448 CB GLU A 33 4.114 19.087 3.875 1.00 0.00 C ATOM 449 CG GLU A 33 4.344 20.586 3.966 1.00 0.00 C ATOM 450 CD GLU A 33 5.671 20.934 4.613 1.00 0.00 C ATOM 451 OE1 GLU A 33 5.763 20.853 5.856 1.00 0.00 O ATOM 452 OE2 GLU A 33 6.616 21.288 3.878 1.00 0.00 O ATOM 0 H GLU A 33 3.426 16.836 3.122 1.00 0.00 H new ATOM 0 HA GLU A 33 2.108 18.851 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.483 18.615 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.701 18.687 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.308 21.017 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.535 21.040 4.538 1.00 0.00 H new ATOM 459 N HIS A 34 2.212 19.226 1.346 1.00 0.00 N ATOM 460 CA HIS A 34 1.664 19.992 0.233 1.00 0.00 C ATOM 461 C HIS A 34 0.792 19.111 -0.656 1.00 0.00 C ATOM 462 O HIS A 34 0.984 17.898 -0.748 1.00 0.00 O ATOM 463 CB HIS A 34 2.792 20.611 -0.593 1.00 0.00 C ATOM 464 CG HIS A 34 3.601 21.622 0.160 1.00 0.00 C ATOM 465 ND1 HIS A 34 3.097 22.842 0.560 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.884 21.589 0.588 1.00 0.00 C ATOM 467 CE1 HIS A 34 4.036 23.516 1.200 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.130 22.777 1.231 1.00 0.00 N ATOM 0 H HIS A 34 2.745 18.402 1.069 1.00 0.00 H new ATOM 0 HA HIS A 34 1.045 20.789 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.452 19.818 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.366 21.085 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.585 20.779 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.927 24.503 1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.014 23.045 1.663 1.00 0.00 H new ATOM 477 N PRO A 35 -0.191 19.732 -1.325 1.00 0.00 N ATOM 478 CA PRO A 35 -1.112 19.023 -2.218 1.00 0.00 C ATOM 479 C PRO A 35 -0.425 18.530 -3.487 1.00 0.00 C ATOM 480 O PRO A 35 -0.347 19.251 -4.481 1.00 0.00 O ATOM 481 CB PRO A 35 -2.164 20.081 -2.556 1.00 0.00 C ATOM 482 CG PRO A 35 -1.462 21.383 -2.380 1.00 0.00 C ATOM 483 CD PRO A 35 -0.477 21.175 -1.262 1.00 0.00 C ATOM 0 HA PRO A 35 -1.523 18.128 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.530 19.963 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.028 20.005 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.954 21.679 -3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.168 22.177 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.425 21.770 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.897 21.460 -0.298 1.00 0.00 H new ATOM 491 N ALA A 36 0.071 17.298 -3.446 1.00 0.00 N ATOM 492 CA ALA A 36 0.749 16.709 -4.594 1.00 0.00 C ATOM 493 C ALA A 36 -0.174 16.651 -5.807 1.00 0.00 C ATOM 494 O ALA A 36 -1.391 16.532 -5.667 1.00 0.00 O ATOM 495 CB ALA A 36 1.258 15.317 -4.250 1.00 0.00 C ATOM 0 H ALA A 36 0.016 16.688 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 36 1.599 17.343 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.762 14.889 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.959 15.381 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.418 14.682 -3.969 1.00 0.00 H new ATOM 501 N ALA A 37 0.413 16.738 -6.996 1.00 0.00 N ATOM 502 CA ALA A 37 -0.357 16.695 -8.233 1.00 0.00 C ATOM 503 C ALA A 37 -0.516 15.262 -8.731 1.00 0.00 C ATOM 504 O ALA A 37 -1.444 14.952 -9.478 1.00 0.00 O ATOM 505 CB ALA A 37 0.307 17.555 -9.298 1.00 0.00 C ATOM 0 H ALA A 37 1.419 16.839 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.351 17.093 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.279 17.514 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.363 18.586 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.313 17.182 -9.492 1.00 0.00 H new ATOM 511 N THR A 38 0.397 14.390 -8.313 1.00 0.00 N ATOM 512 CA THR A 38 0.360 12.991 -8.718 1.00 0.00 C ATOM 513 C THR A 38 0.844 12.080 -7.595 1.00 0.00 C ATOM 514 O THR A 38 1.481 12.535 -6.645 1.00 0.00 O ATOM 515 CB THR A 38 1.221 12.745 -9.970 1.00 0.00 C ATOM 516 OG1 THR A 38 1.026 11.408 -10.445 1.00 0.00 O ATOM 517 CG2 THR A 38 2.695 12.971 -9.667 1.00 0.00 C ATOM 0 H THR A 38 1.171 14.629 -7.694 1.00 0.00 H new ATOM 0 HA THR A 38 -0.679 12.757 -8.950 1.00 0.00 H new ATOM 0 HB THR A 38 0.912 13.452 -10.740 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.576 11.261 -11.243 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.283 12.791 -10.567 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.845 13.998 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.014 12.286 -8.882 1.00 0.00 H new ATOM 525 N VAL A 39 0.538 10.792 -7.710 1.00 0.00 N ATOM 526 CA VAL A 39 0.944 9.817 -6.705 1.00 0.00 C ATOM 527 C VAL A 39 1.040 8.418 -7.304 1.00 0.00 C ATOM 528 O VAL A 39 0.048 7.863 -7.779 1.00 0.00 O ATOM 529 CB VAL A 39 -0.040 9.789 -5.521 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.432 8.809 -4.457 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.208 11.183 -4.935 1.00 0.00 C ATOM 0 H VAL A 39 0.010 10.399 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 39 1.926 10.124 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.011 9.453 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.276 8.803 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.497 7.809 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.414 9.112 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.907 11.145 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.757 11.549 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.595 11.855 -5.701 1.00 0.00 H new ATOM 541 N THR A 40 2.243 7.851 -7.280 1.00 0.00 N ATOM 542 CA THR A 40 2.470 6.517 -7.820 1.00 0.00 C ATOM 543 C THR A 40 2.743 5.512 -6.708 1.00 0.00 C ATOM 544 O THR A 40 3.827 5.498 -6.124 1.00 0.00 O ATOM 545 CB THR A 40 3.652 6.506 -8.809 1.00 0.00 C ATOM 546 OG1 THR A 40 3.386 7.394 -9.900 1.00 0.00 O ATOM 547 CG2 THR A 40 3.900 5.102 -9.339 1.00 0.00 C ATOM 0 H THR A 40 3.075 8.296 -6.892 1.00 0.00 H new ATOM 0 HA THR A 40 1.560 6.231 -8.348 1.00 0.00 H new ATOM 0 HB THR A 40 4.544 6.840 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.142 7.383 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.739 5.119 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.131 4.435 -8.508 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.008 4.745 -9.854 1.00 0.00 H new ATOM 555 N TRP A 41 1.755 4.673 -6.419 1.00 0.00 N ATOM 556 CA TRP A 41 1.890 3.663 -5.376 1.00 0.00 C ATOM 557 C TRP A 41 2.714 2.478 -5.868 1.00 0.00 C ATOM 558 O TRP A 41 2.699 2.150 -7.055 1.00 0.00 O ATOM 559 CB TRP A 41 0.511 3.185 -4.918 1.00 0.00 C ATOM 560 CG TRP A 41 -0.304 4.262 -4.267 1.00 0.00 C ATOM 561 CD1 TRP A 41 -1.004 5.252 -4.895 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.502 4.456 -2.863 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.625 6.051 -3.965 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.334 5.583 -2.711 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.060 3.787 -1.719 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.729 6.054 -1.462 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.453 4.255 -0.479 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.281 5.379 -0.359 1.00 0.00 C ATOM 0 H TRP A 41 0.851 4.672 -6.892 1.00 0.00 H new ATOM 0 HA TRP A 41 2.409 4.117 -4.532 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.035 2.795 -5.777 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.635 2.359 -4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.061 5.387 -5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.208 6.861 -4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.578 2.919 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.366 6.921 -1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.116 3.746 0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.572 5.720 0.624 1.00 0.00 H new ATOM 579 N ARG A 42 3.433 1.840 -4.950 1.00 0.00 N ATOM 580 CA ARG A 42 4.264 0.692 -5.292 1.00 0.00 C ATOM 581 C ARG A 42 4.165 -0.389 -4.220 1.00 0.00 C ATOM 582 O ARG A 42 4.196 -0.098 -3.024 1.00 0.00 O ATOM 583 CB ARG A 42 5.721 1.124 -5.463 1.00 0.00 C ATOM 584 CG ARG A 42 6.693 -0.040 -5.566 1.00 0.00 C ATOM 585 CD ARG A 42 8.123 0.443 -5.754 1.00 0.00 C ATOM 586 NE ARG A 42 8.729 0.862 -4.493 1.00 0.00 N ATOM 587 CZ ARG A 42 9.960 1.351 -4.397 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.712 1.483 -5.481 1.00 0.00 N ATOM 589 NH2 ARG A 42 10.442 1.711 -3.214 1.00 0.00 N ATOM 0 H ARG A 42 3.457 2.099 -3.964 1.00 0.00 H new ATOM 0 HA ARG A 42 3.901 0.280 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.806 1.738 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.007 1.751 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.629 -0.649 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.410 -0.678 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.720 -0.355 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.135 1.276 -6.457 1.00 0.00 H new ATOM 0 HE ARG A 42 8.177 0.774 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.345 1.209 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.657 1.859 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.867 1.612 -2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.388 2.086 -3.141 1.00 0.00 H new ATOM 603 N LYS A 43 4.045 -1.638 -4.657 1.00 0.00 N ATOM 604 CA LYS A 43 3.942 -2.765 -3.737 1.00 0.00 C ATOM 605 C LYS A 43 4.938 -3.860 -4.104 1.00 0.00 C ATOM 606 O LYS A 43 5.093 -4.204 -5.274 1.00 0.00 O ATOM 607 CB LYS A 43 2.520 -3.330 -3.747 1.00 0.00 C ATOM 608 CG LYS A 43 2.385 -4.651 -3.010 1.00 0.00 C ATOM 609 CD LYS A 43 2.705 -5.829 -3.915 1.00 0.00 C ATOM 610 CE LYS A 43 2.054 -7.109 -3.413 1.00 0.00 C ATOM 611 NZ LYS A 43 2.143 -8.206 -4.416 1.00 0.00 N ATOM 0 H LYS A 43 4.017 -1.896 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 43 4.177 -2.406 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.846 -2.602 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.199 -3.465 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.055 -4.659 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.370 -4.752 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.360 -5.616 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.785 -5.965 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.536 -7.423 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.007 -6.916 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.688 -9.061 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.661 -7.917 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.142 -8.408 -4.622 1.00 0.00 H new ATOM 625 N GLY A 44 5.610 -4.405 -3.094 1.00 0.00 N ATOM 626 CA GLY A 44 6.581 -5.457 -3.332 1.00 0.00 C ATOM 627 C GLY A 44 7.463 -5.171 -4.531 1.00 0.00 C ATOM 628 O GLY A 44 7.636 -6.026 -5.401 1.00 0.00 O ATOM 0 H GLY A 44 5.499 -4.137 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.205 -5.578 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.059 -6.401 -3.486 1.00 0.00 H new ATOM 632 N LEU A 45 8.021 -3.967 -4.580 1.00 0.00 N ATOM 633 CA LEU A 45 8.889 -3.570 -5.683 1.00 0.00 C ATOM 634 C LEU A 45 8.146 -3.640 -7.013 1.00 0.00 C ATOM 635 O LEU A 45 8.731 -3.965 -8.047 1.00 0.00 O ATOM 636 CB LEU A 45 10.129 -4.465 -5.730 1.00 0.00 C ATOM 637 CG LEU A 45 11.151 -4.255 -4.613 1.00 0.00 C ATOM 638 CD1 LEU A 45 12.022 -5.491 -4.448 1.00 0.00 C ATOM 639 CD2 LEU A 45 12.009 -3.030 -4.898 1.00 0.00 C ATOM 0 H LEU A 45 7.888 -3.248 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 45 9.199 -2.539 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.803 -5.505 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.629 -4.310 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 45 10.612 -4.087 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.744 -5.323 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.395 -6.347 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.552 -5.690 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.731 -2.896 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.539 -3.168 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.373 -2.148 -4.965 1.00 0.00 H new ATOM 651 N LEU A 46 6.854 -3.331 -6.980 1.00 0.00 N ATOM 652 CA LEU A 46 6.030 -3.357 -8.183 1.00 0.00 C ATOM 653 C LEU A 46 5.188 -2.090 -8.294 1.00 0.00 C ATOM 654 O LEU A 46 4.644 -1.607 -7.301 1.00 0.00 O ATOM 655 CB LEU A 46 5.123 -4.588 -8.178 1.00 0.00 C ATOM 656 CG LEU A 46 4.752 -5.154 -9.549 1.00 0.00 C ATOM 657 CD1 LEU A 46 5.803 -6.148 -10.018 1.00 0.00 C ATOM 658 CD2 LEU A 46 3.379 -5.810 -9.501 1.00 0.00 C ATOM 0 H LEU A 46 6.355 -3.060 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 46 6.693 -3.407 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.614 -5.374 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.203 -4.335 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 46 4.715 -4.331 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.522 -6.540 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.769 -5.649 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.872 -6.969 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.131 -6.207 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.389 -6.622 -8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.633 -5.071 -9.210 1.00 0.00 H new ATOM 670 N GLU A 47 5.083 -1.559 -9.508 1.00 0.00 N ATOM 671 CA GLU A 47 4.305 -0.349 -9.747 1.00 0.00 C ATOM 672 C GLU A 47 2.818 -0.673 -9.867 1.00 0.00 C ATOM 673 O GLU A 47 2.429 -1.599 -10.581 1.00 0.00 O ATOM 674 CB GLU A 47 4.789 0.353 -11.017 1.00 0.00 C ATOM 675 CG GLU A 47 4.251 1.765 -11.175 1.00 0.00 C ATOM 676 CD GLU A 47 4.972 2.547 -12.256 1.00 0.00 C ATOM 677 OE1 GLU A 47 6.133 2.945 -12.027 1.00 0.00 O ATOM 678 OE2 GLU A 47 4.374 2.759 -13.332 1.00 0.00 O ATOM 0 H GLU A 47 5.526 -1.947 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 47 4.447 0.317 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.878 0.387 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.494 -0.238 -11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.188 1.720 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.344 2.293 -10.226 1.00 0.00 H new ATOM 685 N LEU A 48 1.993 0.095 -9.165 1.00 0.00 N ATOM 686 CA LEU A 48 0.548 -0.110 -9.192 1.00 0.00 C ATOM 687 C LEU A 48 -0.124 0.881 -10.137 1.00 0.00 C ATOM 688 O LEU A 48 0.516 1.802 -10.644 1.00 0.00 O ATOM 689 CB LEU A 48 -0.033 0.035 -7.784 1.00 0.00 C ATOM 690 CG LEU A 48 0.596 -0.846 -6.704 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.076 -0.457 -5.329 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.319 -2.315 -6.986 1.00 0.00 C ATOM 0 H LEU A 48 2.299 0.865 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 48 0.355 -1.119 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.065 1.076 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.100 -0.185 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 48 1.675 -0.692 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.534 -1.094 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.327 0.584 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.006 -0.582 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.774 -2.927 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.757 -2.486 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.742 -2.586 -7.954 1.00 0.00 H new ATOM 704 N ARG A 49 -1.419 0.686 -10.366 1.00 0.00 N ATOM 705 CA ARG A 49 -2.178 1.563 -11.249 1.00 0.00 C ATOM 706 C ARG A 49 -3.648 1.606 -10.840 1.00 0.00 C ATOM 707 O ARG A 49 -4.177 0.641 -10.289 1.00 0.00 O ATOM 708 CB ARG A 49 -2.055 1.093 -12.700 1.00 0.00 C ATOM 709 CG ARG A 49 -2.935 -0.101 -13.030 1.00 0.00 C ATOM 710 CD ARG A 49 -2.445 -0.829 -14.272 1.00 0.00 C ATOM 711 NE ARG A 49 -3.022 -0.276 -15.494 1.00 0.00 N ATOM 712 CZ ARG A 49 -2.551 0.805 -16.106 1.00 0.00 C ATOM 713 NH1 ARG A 49 -1.500 1.445 -15.612 1.00 0.00 N ATOM 714 NH2 ARG A 49 -3.130 1.247 -17.214 1.00 0.00 N ATOM 0 H ARG A 49 -1.964 -0.071 -9.953 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.765 2.568 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.313 1.918 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.016 0.835 -12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.948 -0.789 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.961 0.233 -13.184 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.358 -0.766 -14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.700 -1.886 -14.197 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.831 -0.746 -15.900 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.051 1.108 -14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.140 2.275 -16.084 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.938 0.757 -17.598 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.767 2.077 -17.683 1.00 0.00 H new ATOM 728 N ALA A 50 -4.301 2.731 -11.113 1.00 0.00 N ATOM 729 CA ALA A 50 -5.709 2.898 -10.775 1.00 0.00 C ATOM 730 C ALA A 50 -6.565 1.831 -11.448 1.00 0.00 C ATOM 731 O ALA A 50 -6.840 1.907 -12.646 1.00 0.00 O ATOM 732 CB ALA A 50 -6.185 4.288 -11.172 1.00 0.00 C ATOM 0 H ALA A 50 -3.877 3.540 -11.567 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.815 2.784 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.238 4.399 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.600 5.039 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.058 4.423 -12.246 1.00 0.00 H new ATOM 738 N SER A 51 -6.985 0.838 -10.671 1.00 0.00 N ATOM 739 CA SER A 51 -7.807 -0.247 -11.193 1.00 0.00 C ATOM 740 C SER A 51 -8.632 -0.887 -10.081 1.00 0.00 C ATOM 741 O SER A 51 -8.438 -0.595 -8.902 1.00 0.00 O ATOM 742 CB SER A 51 -6.928 -1.304 -11.864 1.00 0.00 C ATOM 743 OG SER A 51 -6.216 -2.061 -10.901 1.00 0.00 O ATOM 0 H SER A 51 -6.769 0.763 -9.677 1.00 0.00 H new ATOM 0 HA SER A 51 -8.489 0.171 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.548 -1.968 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.226 -0.820 -12.543 1.00 0.00 H new ATOM 0 HG SER A 51 -5.663 -2.731 -11.355 1.00 0.00 H new ATOM 749 N GLY A 52 -9.555 -1.763 -10.467 1.00 0.00 N ATOM 750 CA GLY A 52 -10.397 -2.431 -9.492 1.00 0.00 C ATOM 751 C GLY A 52 -9.629 -2.851 -8.254 1.00 0.00 C ATOM 752 O GLY A 52 -10.181 -2.886 -7.154 1.00 0.00 O ATOM 0 H GLY A 52 -9.734 -2.022 -11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.211 -1.766 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.851 -3.310 -9.950 1.00 0.00 H new ATOM 756 N LYS A 53 -8.353 -3.175 -8.433 1.00 0.00 N ATOM 757 CA LYS A 53 -7.507 -3.596 -7.323 1.00 0.00 C ATOM 758 C LYS A 53 -7.016 -2.392 -6.525 1.00 0.00 C ATOM 759 O LYS A 53 -7.443 -2.170 -5.391 1.00 0.00 O ATOM 760 CB LYS A 53 -6.312 -4.399 -7.841 1.00 0.00 C ATOM 761 CG LYS A 53 -5.598 -5.193 -6.761 1.00 0.00 C ATOM 762 CD LYS A 53 -6.401 -6.414 -6.344 1.00 0.00 C ATOM 763 CE LYS A 53 -5.782 -7.101 -5.137 1.00 0.00 C ATOM 764 NZ LYS A 53 -4.488 -7.757 -5.474 1.00 0.00 N ATOM 0 H LYS A 53 -7.882 -3.154 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.103 -4.227 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.654 -5.084 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.602 -3.717 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.620 -5.507 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.426 -4.556 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.423 -6.116 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.456 -7.116 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.623 -6.369 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.476 -7.846 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.082 -8.185 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.649 -8.497 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.828 -7.048 -5.853 1.00 0.00 H new ATOM 778 N HIS A 54 -6.119 -1.616 -7.125 1.00 0.00 N ATOM 779 CA HIS A 54 -5.572 -0.432 -6.471 1.00 0.00 C ATOM 780 C HIS A 54 -6.238 0.836 -6.997 1.00 0.00 C ATOM 781 O HIS A 54 -5.855 1.360 -8.043 1.00 0.00 O ATOM 782 CB HIS A 54 -4.061 -0.356 -6.688 1.00 0.00 C ATOM 783 CG HIS A 54 -3.367 -1.674 -6.533 1.00 0.00 C ATOM 784 ND1 HIS A 54 -2.933 -2.427 -7.604 1.00 0.00 N ATOM 785 CD2 HIS A 54 -3.030 -2.373 -5.424 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.361 -3.532 -7.160 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.406 -3.523 -5.840 1.00 0.00 N ATOM 0 H HIS A 54 -5.755 -1.786 -8.063 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.774 -0.511 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.865 0.033 -7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.636 0.355 -5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.217 -2.080 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.930 -4.310 -7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.037 -4.252 -5.229 1.00 0.00 H new ATOM 796 N GLN A 55 -7.236 1.322 -6.266 1.00 0.00 N ATOM 797 CA GLN A 55 -7.955 2.527 -6.661 1.00 0.00 C ATOM 798 C GLN A 55 -7.609 3.693 -5.741 1.00 0.00 C ATOM 799 O GLN A 55 -8.299 3.967 -4.759 1.00 0.00 O ATOM 800 CB GLN A 55 -9.464 2.276 -6.640 1.00 0.00 C ATOM 801 CG GLN A 55 -10.233 3.102 -7.659 1.00 0.00 C ATOM 802 CD GLN A 55 -10.278 4.575 -7.301 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.924 4.970 -6.330 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.591 5.396 -8.086 1.00 0.00 N ATOM 0 H GLN A 55 -7.565 0.900 -5.398 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.651 2.785 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.651 1.218 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.847 2.496 -5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.772 2.984 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.251 2.720 -7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.070 5.025 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.585 6.398 -7.895 1.00 0.00 H new ATOM 813 N PRO A 56 -6.514 4.398 -6.065 1.00 0.00 N ATOM 814 CA PRO A 56 -6.052 5.546 -5.280 1.00 0.00 C ATOM 815 C PRO A 56 -6.982 6.748 -5.407 1.00 0.00 C ATOM 816 O PRO A 56 -7.944 6.722 -6.175 1.00 0.00 O ATOM 817 CB PRO A 56 -4.683 5.863 -5.888 1.00 0.00 C ATOM 818 CG PRO A 56 -4.757 5.340 -7.281 1.00 0.00 C ATOM 819 CD PRO A 56 -5.644 4.128 -7.222 1.00 0.00 C ATOM 0 HA PRO A 56 -6.020 5.324 -4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.484 6.935 -5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.880 5.384 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.166 6.090 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.766 5.081 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.221 4.007 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.067 3.214 -7.086 1.00 0.00 H new ATOM 827 N SER A 57 -6.689 7.800 -4.650 1.00 0.00 N ATOM 828 CA SER A 57 -7.502 9.011 -4.676 1.00 0.00 C ATOM 829 C SER A 57 -6.684 10.223 -4.241 1.00 0.00 C ATOM 830 O SER A 57 -5.542 10.089 -3.803 1.00 0.00 O ATOM 831 CB SER A 57 -8.722 8.851 -3.767 1.00 0.00 C ATOM 832 OG SER A 57 -9.789 8.220 -4.452 1.00 0.00 O ATOM 0 H SER A 57 -5.895 7.839 -4.011 1.00 0.00 H new ATOM 0 HA SER A 57 -7.840 9.171 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.451 8.264 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.043 9.829 -3.409 1.00 0.00 H new ATOM 0 HG SER A 57 -9.428 7.619 -5.137 1.00 0.00 H new ATOM 838 N GLN A 58 -7.279 11.405 -4.366 1.00 0.00 N ATOM 839 CA GLN A 58 -6.606 12.642 -3.986 1.00 0.00 C ATOM 840 C GLN A 58 -7.553 13.566 -3.228 1.00 0.00 C ATOM 841 O GLN A 58 -8.567 14.008 -3.767 1.00 0.00 O ATOM 842 CB GLN A 58 -6.064 13.354 -5.227 1.00 0.00 C ATOM 843 CG GLN A 58 -5.466 14.720 -4.932 1.00 0.00 C ATOM 844 CD GLN A 58 -3.989 14.651 -4.597 1.00 0.00 C ATOM 845 OE1 GLN A 58 -3.229 13.923 -5.236 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.574 15.411 -3.591 1.00 0.00 N ATOM 0 H GLN A 58 -8.224 11.532 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.774 12.387 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.304 12.727 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.870 13.468 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.609 15.369 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.003 15.175 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.239 16.000 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.591 15.407 -3.320 1.00 0.00 H new ATOM 855 N GLU A 59 -7.214 13.855 -1.975 1.00 0.00 N ATOM 856 CA GLU A 59 -8.036 14.726 -1.144 1.00 0.00 C ATOM 857 C GLU A 59 -7.191 15.824 -0.504 1.00 0.00 C ATOM 858 O GLU A 59 -5.967 15.833 -0.631 1.00 0.00 O ATOM 859 CB GLU A 59 -8.742 13.913 -0.057 1.00 0.00 C ATOM 860 CG GLU A 59 -10.101 13.381 -0.480 1.00 0.00 C ATOM 861 CD GLU A 59 -10.520 12.155 0.308 1.00 0.00 C ATOM 862 OE1 GLU A 59 -9.969 11.065 0.045 1.00 0.00 O ATOM 863 OE2 GLU A 59 -11.398 12.285 1.186 1.00 0.00 O ATOM 0 H GLU A 59 -6.377 13.499 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.785 15.193 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.106 13.075 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.865 14.536 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.849 14.163 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.076 13.135 -1.542 1.00 0.00 H new ATOM 870 N GLY A 60 -7.854 16.749 0.183 1.00 0.00 N ATOM 871 CA GLY A 60 -7.148 17.839 0.831 1.00 0.00 C ATOM 872 C GLY A 60 -5.946 17.362 1.622 1.00 0.00 C ATOM 873 O GLY A 60 -6.085 16.889 2.751 1.00 0.00 O ATOM 0 H GLY A 60 -8.867 16.763 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.822 18.556 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.832 18.366 1.497 1.00 0.00 H new ATOM 877 N LEU A 61 -4.764 17.486 1.030 1.00 0.00 N ATOM 878 CA LEU A 61 -3.532 17.063 1.686 1.00 0.00 C ATOM 879 C LEU A 61 -3.699 15.687 2.324 1.00 0.00 C ATOM 880 O LEU A 61 -3.035 15.362 3.309 1.00 0.00 O ATOM 881 CB LEU A 61 -3.120 18.083 2.749 1.00 0.00 C ATOM 882 CG LEU A 61 -2.775 19.482 2.238 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.638 20.456 3.398 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.496 19.449 1.414 1.00 0.00 C ATOM 0 H LEU A 61 -4.632 17.876 0.097 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.750 17.000 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.931 18.172 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.256 17.690 3.285 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.588 19.824 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.392 21.446 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.578 20.503 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.845 20.118 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.266 20.453 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.675 19.086 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.630 18.784 0.561 1.00 0.00 H new ATOM 896 N THR A 62 -4.589 14.881 1.754 1.00 0.00 N ATOM 897 CA THR A 62 -4.843 13.540 2.265 1.00 0.00 C ATOM 898 C THR A 62 -5.018 12.541 1.127 1.00 0.00 C ATOM 899 O THR A 62 -5.948 12.652 0.327 1.00 0.00 O ATOM 900 CB THR A 62 -6.097 13.507 3.159 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.022 14.542 4.146 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.240 12.156 3.843 1.00 0.00 C ATOM 0 H THR A 62 -5.146 15.134 0.938 1.00 0.00 H new ATOM 0 HA THR A 62 -3.974 13.260 2.860 1.00 0.00 H new ATOM 0 HB THR A 62 -6.970 13.670 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.183 15.411 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.133 12.158 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.327 11.374 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.363 11.967 4.462 1.00 0.00 H new ATOM 910 N LEU A 63 -4.119 11.565 1.059 1.00 0.00 N ATOM 911 CA LEU A 63 -4.174 10.545 0.017 1.00 0.00 C ATOM 912 C LEU A 63 -4.489 9.176 0.612 1.00 0.00 C ATOM 913 O LEU A 63 -4.180 8.908 1.773 1.00 0.00 O ATOM 914 CB LEU A 63 -2.848 10.492 -0.743 1.00 0.00 C ATOM 915 CG LEU A 63 -2.287 11.835 -1.209 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.778 11.752 -1.383 1.00 0.00 C ATOM 917 CD2 LEU A 63 -2.952 12.270 -2.507 1.00 0.00 C ATOM 0 H LEU A 63 -3.343 11.458 1.713 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.972 10.811 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.106 10.013 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.978 9.853 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.504 12.582 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.396 12.717 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.316 11.487 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.539 10.992 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.540 13.228 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.767 11.523 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.026 12.371 -2.350 1.00 0.00 H new ATOM 929 N ARG A 64 -5.102 8.314 -0.192 1.00 0.00 N ATOM 930 CA ARG A 64 -5.457 6.972 0.255 1.00 0.00 C ATOM 931 C ARG A 64 -5.563 6.016 -0.929 1.00 0.00 C ATOM 932 O ARG A 64 -5.923 6.418 -2.036 1.00 0.00 O ATOM 933 CB ARG A 64 -6.780 7.001 1.022 1.00 0.00 C ATOM 934 CG ARG A 64 -7.985 7.305 0.148 1.00 0.00 C ATOM 935 CD ARG A 64 -9.265 7.370 0.966 1.00 0.00 C ATOM 936 NE ARG A 64 -9.897 6.060 1.098 1.00 0.00 N ATOM 937 CZ ARG A 64 -11.146 5.886 1.516 1.00 0.00 C ATOM 938 NH1 ARG A 64 -11.892 6.933 1.840 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.651 4.662 1.609 1.00 0.00 N ATOM 0 H ARG A 64 -5.363 8.520 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.669 6.616 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.929 6.037 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.716 7.750 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.832 8.254 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.081 6.538 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.042 7.767 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.962 8.063 0.494 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.350 5.234 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.507 7.875 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.851 6.797 2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.080 3.854 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.610 4.529 1.930 1.00 0.00 H new ATOM 953 N LEU A 65 -5.248 4.748 -0.689 1.00 0.00 N ATOM 954 CA LEU A 65 -5.308 3.733 -1.735 1.00 0.00 C ATOM 955 C LEU A 65 -6.115 2.523 -1.275 1.00 0.00 C ATOM 956 O LEU A 65 -5.628 1.693 -0.506 1.00 0.00 O ATOM 957 CB LEU A 65 -3.896 3.297 -2.132 1.00 0.00 C ATOM 958 CG LEU A 65 -3.805 2.122 -3.106 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.238 2.549 -4.499 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.391 1.560 -3.133 1.00 0.00 C ATOM 0 H LEU A 65 -4.948 4.398 0.221 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.804 4.169 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.385 4.151 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.350 3.035 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.480 1.337 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.167 1.700 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.269 2.903 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.590 3.351 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.345 0.724 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.696 2.338 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.118 1.215 -2.136 1.00 0.00 H new ATOM 972 N THR A 66 -7.352 2.428 -1.751 1.00 0.00 N ATOM 973 CA THR A 66 -8.227 1.320 -1.390 1.00 0.00 C ATOM 974 C THR A 66 -7.834 0.045 -2.128 1.00 0.00 C ATOM 975 O THR A 66 -7.774 0.023 -3.358 1.00 0.00 O ATOM 976 CB THR A 66 -9.701 1.644 -1.698 1.00 0.00 C ATOM 977 OG1 THR A 66 -10.057 2.905 -1.120 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.619 0.556 -1.159 1.00 0.00 C ATOM 0 H THR A 66 -7.771 3.106 -2.388 1.00 0.00 H new ATOM 0 HA THR A 66 -8.113 1.165 -0.317 1.00 0.00 H new ATOM 0 HB THR A 66 -9.820 1.694 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.995 3.104 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.655 0.807 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.365 -0.397 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.496 0.478 -0.079 1.00 0.00 H new ATOM 986 N ILE A 67 -7.567 -1.013 -1.370 1.00 0.00 N ATOM 987 CA ILE A 67 -7.181 -2.292 -1.954 1.00 0.00 C ATOM 988 C ILE A 67 -8.157 -3.395 -1.556 1.00 0.00 C ATOM 989 O ILE A 67 -8.244 -3.767 -0.386 1.00 0.00 O ATOM 990 CB ILE A 67 -5.760 -2.700 -1.525 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.788 -1.535 -1.726 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.300 -3.921 -2.309 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.570 -1.603 -0.832 1.00 0.00 C ATOM 0 H ILE A 67 -7.611 -1.010 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.202 -2.164 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.776 -2.957 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.464 -1.518 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.313 -0.598 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.294 -4.197 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.980 -4.752 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.297 -3.689 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.926 -0.746 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.884 -1.589 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.022 -2.523 -1.034 1.00 0.00 H new ATOM 1005 N SER A 68 -8.887 -3.914 -2.538 1.00 0.00 N ATOM 1006 CA SER A 68 -9.857 -4.974 -2.290 1.00 0.00 C ATOM 1007 C SER A 68 -9.351 -6.310 -2.823 1.00 0.00 C ATOM 1008 O SER A 68 -8.411 -6.359 -3.616 1.00 0.00 O ATOM 1009 CB SER A 68 -11.199 -4.628 -2.940 1.00 0.00 C ATOM 1010 OG SER A 68 -11.878 -3.625 -2.204 1.00 0.00 O ATOM 0 H SER A 68 -8.825 -3.618 -3.512 1.00 0.00 H new ATOM 0 HA SER A 68 -9.994 -5.062 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.034 -4.285 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.819 -5.522 -3.000 1.00 0.00 H new ATOM 0 HG SER A 68 -12.731 -3.420 -2.640 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.981 -7.394 -2.382 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.597 -8.731 -2.815 1.00 0.00 C ATOM 1018 C ALA A 69 -8.154 -9.040 -2.430 1.00 0.00 C ATOM 1019 O ALA A 69 -7.399 -9.612 -3.218 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.786 -8.874 -4.318 1.00 0.00 C ATOM 0 H ALA A 69 -10.760 -7.372 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.242 -9.449 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.495 -9.878 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.833 -8.705 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.166 -8.141 -4.834 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.776 -8.657 -1.215 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.422 -8.892 -0.726 1.00 0.00 C ATOM 1028 C LEU A 70 -6.029 -10.357 -0.893 1.00 0.00 C ATOM 1029 O LEU A 70 -6.796 -11.157 -1.428 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.314 -8.488 0.746 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.517 -7.004 1.051 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -6.917 -6.807 2.505 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.256 -6.215 0.731 1.00 0.00 C ATOM 0 H LEU A 70 -8.388 -8.183 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.738 -8.282 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.049 -9.059 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.330 -8.782 1.112 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.324 -6.631 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.057 -5.744 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.848 -7.338 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.133 -7.197 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.420 -5.161 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.429 -6.590 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.014 -6.328 -0.326 1.00 0.00 H new ATOM 1045 N GLU A 71 -4.831 -10.699 -0.430 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.338 -12.068 -0.527 1.00 0.00 C ATOM 1047 C GLU A 71 -3.026 -12.230 0.235 1.00 0.00 C ATOM 1048 O GLU A 71 -2.241 -11.288 0.348 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.141 -12.459 -1.993 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.039 -11.678 -2.688 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.271 -11.545 -4.181 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -3.688 -12.541 -4.807 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.035 -10.445 -4.723 1.00 0.00 O ATOM 0 H GLU A 71 -4.184 -10.048 0.015 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.081 -12.727 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.911 -13.523 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.077 -12.306 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.968 -10.685 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.083 -12.173 -2.515 1.00 0.00 H new ATOM 1060 N LYS A 72 -2.796 -13.429 0.757 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.580 -13.717 1.508 1.00 0.00 C ATOM 1062 C LYS A 72 -0.347 -13.224 0.757 1.00 0.00 C ATOM 1063 O LYS A 72 0.716 -13.034 1.347 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.462 -15.220 1.773 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.588 -15.777 2.626 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.205 -17.106 3.255 1.00 0.00 C ATOM 1067 CE LYS A 72 -1.363 -16.910 4.506 1.00 0.00 C ATOM 1068 NZ LYS A 72 -1.079 -18.201 5.192 1.00 0.00 N ATOM 0 H LYS A 72 -3.437 -14.218 0.674 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.639 -13.190 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.444 -15.748 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.511 -15.420 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.841 -15.062 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.480 -15.907 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.107 -17.664 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.651 -17.705 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.423 -16.426 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.882 -16.241 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.503 -18.024 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.975 -18.651 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.561 -18.831 4.546 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.497 -13.018 -0.547 1.00 0.00 N ATOM 1083 CA ALA A 73 0.603 -12.543 -1.378 1.00 0.00 C ATOM 1084 C ALA A 73 0.713 -11.023 -1.327 1.00 0.00 C ATOM 1085 O ALA A 73 1.813 -10.471 -1.316 1.00 0.00 O ATOM 1086 CB ALA A 73 0.421 -13.014 -2.813 1.00 0.00 C ATOM 0 H ALA A 73 -1.370 -13.173 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 73 1.530 -12.961 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.249 -12.652 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.400 -14.104 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.517 -12.624 -3.208 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.433 -10.353 -1.298 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.466 -8.895 -1.248 1.00 0.00 C ATOM 1094 C ASP A 74 0.299 -8.376 -0.035 1.00 0.00 C ATOM 1095 O ASP A 74 0.799 -7.251 -0.038 1.00 0.00 O ATOM 1096 CB ASP A 74 -1.911 -8.397 -1.207 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.498 -8.209 -2.592 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -1.788 -7.676 -3.471 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -3.667 -8.595 -2.798 1.00 0.00 O ATOM 0 H ASP A 74 -1.352 -10.795 -1.308 1.00 0.00 H new ATOM 0 HA ASP A 74 0.015 -8.514 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.522 -9.108 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.951 -7.451 -0.667 1.00 0.00 H new ATOM 1104 N SER A 75 0.386 -9.203 1.002 1.00 0.00 N ATOM 1105 CA SER A 75 1.086 -8.825 2.225 1.00 0.00 C ATOM 1106 C SER A 75 2.546 -8.491 1.934 1.00 0.00 C ATOM 1107 O SER A 75 3.378 -9.383 1.772 1.00 0.00 O ATOM 1108 CB SER A 75 1.005 -9.954 3.254 1.00 0.00 C ATOM 1109 OG SER A 75 1.633 -11.129 2.772 1.00 0.00 O ATOM 0 H SER A 75 -0.019 -10.139 1.020 1.00 0.00 H new ATOM 0 HA SER A 75 0.602 -7.937 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.480 -9.639 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.039 -10.165 3.486 1.00 0.00 H new ATOM 0 HG SER A 75 1.115 -11.493 2.024 1.00 0.00 H new ATOM 1115 N ASP A 76 2.848 -7.199 1.868 1.00 0.00 N ATOM 1116 CA ASP A 76 4.207 -6.745 1.598 1.00 0.00 C ATOM 1117 C ASP A 76 4.382 -5.284 2.002 1.00 0.00 C ATOM 1118 O ASP A 76 3.440 -4.638 2.463 1.00 0.00 O ATOM 1119 CB ASP A 76 4.541 -6.921 0.116 1.00 0.00 C ATOM 1120 CG ASP A 76 6.025 -7.120 -0.123 1.00 0.00 C ATOM 1121 OD1 ASP A 76 6.754 -6.110 -0.205 1.00 0.00 O ATOM 1122 OD2 ASP A 76 6.457 -8.287 -0.227 1.00 0.00 O ATOM 0 H ASP A 76 2.170 -6.448 1.998 1.00 0.00 H new ATOM 0 HA ASP A 76 4.891 -7.352 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.994 -7.778 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.201 -6.045 -0.437 1.00 0.00 H new ATOM 1127 N THR A 77 5.595 -4.768 1.826 1.00 0.00 N ATOM 1128 CA THR A 77 5.894 -3.384 2.173 1.00 0.00 C ATOM 1129 C THR A 77 5.586 -2.446 1.012 1.00 0.00 C ATOM 1130 O THR A 77 6.326 -2.395 0.029 1.00 0.00 O ATOM 1131 CB THR A 77 7.371 -3.214 2.577 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.591 -3.773 3.877 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.766 -1.745 2.578 1.00 0.00 C ATOM 0 H THR A 77 6.386 -5.288 1.445 1.00 0.00 H new ATOM 0 HA THR A 77 5.260 -3.127 3.021 1.00 0.00 H new ATOM 0 HB THR A 77 7.987 -3.739 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.532 -3.662 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.813 -1.650 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.625 -1.330 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.143 -1.201 3.288 1.00 0.00 H new ATOM 1141 N TYR A 78 4.489 -1.706 1.131 1.00 0.00 N ATOM 1142 CA TYR A 78 4.082 -0.771 0.090 1.00 0.00 C ATOM 1143 C TYR A 78 4.889 0.521 0.172 1.00 0.00 C ATOM 1144 O TYR A 78 5.563 0.785 1.168 1.00 0.00 O ATOM 1145 CB TYR A 78 2.589 -0.461 0.209 1.00 0.00 C ATOM 1146 CG TYR A 78 1.697 -1.617 -0.184 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.623 -2.761 0.601 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.929 -1.565 -1.341 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.811 -3.820 0.245 1.00 0.00 C ATOM 1150 CE2 TYR A 78 0.112 -2.619 -1.703 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.057 -3.744 -0.907 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.755 -4.796 -1.265 1.00 0.00 O ATOM 0 H TYR A 78 3.866 -1.736 1.938 1.00 0.00 H new ATOM 0 HA TYR A 78 4.274 -1.237 -0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.367 -0.175 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.354 0.398 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.211 -2.823 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.971 -0.686 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.767 -4.703 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.480 -2.562 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.378 -5.632 -0.920 1.00 0.00 H new ATOM 1162 N THR A 79 4.816 1.326 -0.884 1.00 0.00 N ATOM 1163 CA THR A 79 5.539 2.590 -0.934 1.00 0.00 C ATOM 1164 C THR A 79 4.761 3.637 -1.723 1.00 0.00 C ATOM 1165 O THR A 79 4.581 3.508 -2.935 1.00 0.00 O ATOM 1166 CB THR A 79 6.932 2.416 -1.568 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.719 1.515 -0.781 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.646 3.754 -1.681 1.00 0.00 C ATOM 0 H THR A 79 4.263 1.124 -1.717 1.00 0.00 H new ATOM 0 HA THR A 79 5.657 2.928 0.096 1.00 0.00 H new ATOM 0 HB THR A 79 6.802 2.005 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.642 1.842 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.627 3.606 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.059 4.428 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.764 4.188 -0.688 1.00 0.00 H new ATOM 1176 N CYS A 80 4.303 4.674 -1.030 1.00 0.00 N ATOM 1177 CA CYS A 80 3.544 5.744 -1.666 1.00 0.00 C ATOM 1178 C CYS A 80 4.461 6.893 -2.073 1.00 0.00 C ATOM 1179 O CYS A 80 4.928 7.657 -1.227 1.00 0.00 O ATOM 1180 CB CYS A 80 2.454 6.255 -0.724 1.00 0.00 C ATOM 1181 SG CYS A 80 1.555 7.695 -1.346 1.00 0.00 S ATOM 0 H CYS A 80 4.444 4.796 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 80 3.077 5.340 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.744 5.450 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.907 6.509 0.234 1.00 0.00 H new ATOM 0 HG CYS A 80 0.299 7.392 -1.494 1.00 0.00 H new ATOM 1187 N ASP A 81 4.716 7.009 -3.371 1.00 0.00 N ATOM 1188 CA ASP A 81 5.578 8.064 -3.890 1.00 0.00 C ATOM 1189 C ASP A 81 4.750 9.228 -4.427 1.00 0.00 C ATOM 1190 O ASP A 81 3.669 9.029 -4.983 1.00 0.00 O ATOM 1191 CB ASP A 81 6.484 7.516 -4.994 1.00 0.00 C ATOM 1192 CG ASP A 81 7.325 8.597 -5.643 1.00 0.00 C ATOM 1193 OD1 ASP A 81 6.752 9.441 -6.363 1.00 0.00 O ATOM 1194 OD2 ASP A 81 8.556 8.598 -5.433 1.00 0.00 O ATOM 0 H ASP A 81 4.338 6.385 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 81 6.197 8.429 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.139 6.752 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.872 7.030 -5.754 1.00 0.00 H new ATOM 1199 N ILE A 82 5.263 10.441 -4.254 1.00 0.00 N ATOM 1200 CA ILE A 82 4.570 11.636 -4.721 1.00 0.00 C ATOM 1201 C ILE A 82 5.441 12.435 -5.685 1.00 0.00 C ATOM 1202 O ILE A 82 4.950 13.298 -6.411 1.00 0.00 O ATOM 1203 CB ILE A 82 4.160 12.544 -3.546 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.382 12.900 -2.698 1.00 0.00 C ATOM 1205 CG2 ILE A 82 3.099 11.862 -2.696 1.00 0.00 C ATOM 1206 CD1 ILE A 82 5.073 13.850 -1.562 1.00 0.00 C ATOM 0 H ILE A 82 6.155 10.623 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 82 3.673 11.298 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 82 3.739 13.466 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.810 11.985 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.141 13.348 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.819 12.516 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.221 11.654 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.495 10.927 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.986 14.058 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.674 14.781 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.337 13.396 -0.898 1.00 0.00 H new ATOM 1218 N GLY A 83 6.737 12.138 -5.689 1.00 0.00 N ATOM 1219 CA GLY A 83 7.655 12.835 -6.570 1.00 0.00 C ATOM 1220 C GLY A 83 8.879 13.352 -5.839 1.00 0.00 C ATOM 1221 O GLY A 83 9.954 13.471 -6.426 1.00 0.00 O ATOM 0 H GLY A 83 7.167 11.427 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.969 12.163 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.138 13.670 -7.042 1.00 0.00 H new ATOM 1225 N GLN A 84 8.714 13.661 -4.557 1.00 0.00 N ATOM 1226 CA GLN A 84 9.815 14.171 -3.748 1.00 0.00 C ATOM 1227 C GLN A 84 10.110 13.235 -2.580 1.00 0.00 C ATOM 1228 O GLN A 84 11.267 13.033 -2.211 1.00 0.00 O ATOM 1229 CB GLN A 84 9.485 15.570 -3.224 1.00 0.00 C ATOM 1230 CG GLN A 84 9.198 16.579 -4.324 1.00 0.00 C ATOM 1231 CD GLN A 84 10.399 16.831 -5.214 1.00 0.00 C ATOM 1232 OE1 GLN A 84 11.536 16.550 -4.835 1.00 0.00 O ATOM 1233 NE2 GLN A 84 10.153 17.365 -6.404 1.00 0.00 N ATOM 0 H GLN A 84 7.830 13.567 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 84 10.702 14.227 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.619 15.507 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.319 15.929 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.368 16.220 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.880 17.520 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.195 17.582 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.922 17.558 -7.045 1.00 0.00 H new ATOM 1242 N ALA A 85 9.057 12.667 -2.002 1.00 0.00 N ATOM 1243 CA ALA A 85 9.204 11.751 -0.878 1.00 0.00 C ATOM 1244 C ALA A 85 8.427 10.461 -1.116 1.00 0.00 C ATOM 1245 O ALA A 85 7.685 10.344 -2.090 1.00 0.00 O ATOM 1246 CB ALA A 85 8.742 12.418 0.410 1.00 0.00 C ATOM 0 H ALA A 85 8.093 12.825 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 85 10.260 11.496 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.857 11.723 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.344 13.308 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.694 12.702 0.317 1.00 0.00 H new ATOM 1252 N GLN A 86 8.604 9.495 -0.219 1.00 0.00 N ATOM 1253 CA GLN A 86 7.921 8.213 -0.334 1.00 0.00 C ATOM 1254 C GLN A 86 7.703 7.587 1.040 1.00 0.00 C ATOM 1255 O GLN A 86 8.608 7.566 1.874 1.00 0.00 O ATOM 1256 CB GLN A 86 8.725 7.259 -1.219 1.00 0.00 C ATOM 1257 CG GLN A 86 9.141 7.869 -2.549 1.00 0.00 C ATOM 1258 CD GLN A 86 10.321 8.811 -2.415 1.00 0.00 C ATOM 1259 OE1 GLN A 86 11.245 8.561 -1.640 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.297 9.902 -3.171 1.00 0.00 N ATOM 0 H GLN A 86 9.214 9.577 0.594 1.00 0.00 H new ATOM 0 HA GLN A 86 6.948 8.389 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.617 6.941 -0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.131 6.365 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.395 7.071 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.296 8.409 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.511 10.070 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.064 10.572 -3.123 1.00 0.00 H new ATOM 1269 N SER A 87 6.496 7.080 1.269 1.00 0.00 N ATOM 1270 CA SER A 87 6.158 6.457 2.544 1.00 0.00 C ATOM 1271 C SER A 87 6.326 4.943 2.470 1.00 0.00 C ATOM 1272 O SER A 87 6.695 4.398 1.430 1.00 0.00 O ATOM 1273 CB SER A 87 4.721 6.804 2.939 1.00 0.00 C ATOM 1274 OG SER A 87 4.537 6.696 4.340 1.00 0.00 O ATOM 0 H SER A 87 5.736 7.088 0.589 1.00 0.00 H new ATOM 0 HA SER A 87 6.839 6.844 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.486 7.818 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.028 6.137 2.426 1.00 0.00 H new ATOM 0 HG SER A 87 4.581 7.587 4.745 1.00 0.00 H new ATOM 1280 N ARG A 88 6.052 4.269 3.583 1.00 0.00 N ATOM 1281 CA ARG A 88 6.174 2.818 3.646 1.00 0.00 C ATOM 1282 C ARG A 88 5.304 2.247 4.763 1.00 0.00 C ATOM 1283 O ARG A 88 5.294 2.764 5.880 1.00 0.00 O ATOM 1284 CB ARG A 88 7.633 2.416 3.866 1.00 0.00 C ATOM 1285 CG ARG A 88 8.474 2.457 2.601 1.00 0.00 C ATOM 1286 CD ARG A 88 9.648 1.494 2.680 1.00 0.00 C ATOM 1287 NE ARG A 88 10.691 1.821 1.712 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.549 2.824 1.867 1.00 0.00 C ATOM 1289 NH1 ARG A 88 11.488 3.592 2.946 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.470 3.059 0.942 1.00 0.00 N ATOM 0 H ARG A 88 5.744 4.705 4.452 1.00 0.00 H new ATOM 0 HA ARG A 88 5.831 2.409 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.076 3.080 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.665 1.408 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.853 2.205 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.843 3.470 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.067 1.516 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.296 0.478 2.504 1.00 0.00 H new ATOM 0 HE ARG A 88 10.765 1.249 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.781 3.414 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.148 4.361 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.520 2.470 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.128 3.829 1.062 1.00 0.00 H new ATOM 1304 N ALA A 89 4.576 1.180 4.453 1.00 0.00 N ATOM 1305 CA ALA A 89 3.705 0.539 5.430 1.00 0.00 C ATOM 1306 C ALA A 89 3.610 -0.962 5.180 1.00 0.00 C ATOM 1307 O ALA A 89 3.522 -1.405 4.035 1.00 0.00 O ATOM 1308 CB ALA A 89 2.321 1.170 5.397 1.00 0.00 C ATOM 0 H ALA A 89 4.572 0.741 3.532 1.00 0.00 H new ATOM 0 HA ALA A 89 4.138 0.689 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.681 0.682 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.399 2.231 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.890 1.050 4.403 1.00 0.00 H new ATOM 1314 N GLN A 90 3.630 -1.739 6.258 1.00 0.00 N ATOM 1315 CA GLN A 90 3.548 -3.192 6.153 1.00 0.00 C ATOM 1316 C GLN A 90 2.111 -3.670 6.337 1.00 0.00 C ATOM 1317 O GLN A 90 1.453 -3.328 7.320 1.00 0.00 O ATOM 1318 CB GLN A 90 4.454 -3.851 7.194 1.00 0.00 C ATOM 1319 CG GLN A 90 5.926 -3.513 7.021 1.00 0.00 C ATOM 1320 CD GLN A 90 6.692 -3.552 8.328 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.199 -4.061 9.335 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.906 -3.013 8.320 1.00 0.00 N ATOM 0 H GLN A 90 3.702 -1.388 7.213 1.00 0.00 H new ATOM 0 HA GLN A 90 3.883 -3.479 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.134 -3.543 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.329 -4.932 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.376 -4.216 6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.017 -2.520 6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.276 -2.602 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.468 -3.010 9.171 1.00 0.00 H new ATOM 1331 N LEU A 91 1.631 -4.462 5.384 1.00 0.00 N ATOM 1332 CA LEU A 91 0.271 -4.988 5.440 1.00 0.00 C ATOM 1333 C LEU A 91 0.273 -6.461 5.836 1.00 0.00 C ATOM 1334 O LEU A 91 1.154 -7.222 5.434 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.420 -4.813 4.087 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.577 -5.769 3.795 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.809 -5.376 4.595 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.889 -5.791 2.306 1.00 0.00 C ATOM 0 H LEU A 91 2.163 -4.754 4.564 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.278 -4.428 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.794 -3.791 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.328 -4.929 3.302 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.278 -6.773 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.622 -6.068 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.579 -5.414 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.110 -4.364 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.715 -6.477 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.167 -4.789 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.009 -6.123 1.755 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.720 -6.857 6.625 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.834 -8.241 7.074 1.00 0.00 C ATOM 1352 C LEU A 92 -2.128 -8.871 6.569 1.00 0.00 C ATOM 1353 O LEU A 92 -3.219 -8.519 7.019 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.783 -8.308 8.601 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.845 -9.707 9.214 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.183 -10.722 8.296 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.189 -9.718 10.587 1.00 0.00 C ATOM 0 H LEU A 92 -1.457 -6.240 6.967 1.00 0.00 H new ATOM 0 HA LEU A 92 0.006 -8.801 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.136 -7.827 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.612 -7.722 8.998 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.892 -9.984 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.237 -11.712 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.698 -10.734 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.861 -10.449 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.243 -10.722 11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.855 -9.419 10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.709 -9.021 11.244 1.00 0.00 H new ATOM 1369 N VAL A 93 -1.999 -9.807 5.634 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.158 -10.489 5.070 1.00 0.00 C ATOM 1371 C VAL A 93 -3.363 -11.852 5.721 1.00 0.00 C ATOM 1372 O VAL A 93 -2.793 -12.852 5.284 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.013 -10.676 3.548 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.260 -11.327 2.969 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -2.736 -9.342 2.872 1.00 0.00 C ATOM 0 H VAL A 93 -1.104 -10.110 5.251 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.025 -9.859 5.270 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.166 -11.336 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.139 -11.451 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.410 -12.302 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.126 -10.695 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.636 -9.493 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.561 -8.657 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.812 -8.919 3.266 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.181 -11.884 6.769 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.461 -13.126 7.481 1.00 0.00 C ATOM 1387 C GLN A 94 -5.171 -14.125 6.573 1.00 0.00 C ATOM 1388 O GLN A 94 -5.533 -13.804 5.442 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.315 -12.847 8.718 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.546 -12.190 9.853 1.00 0.00 C ATOM 1391 CD GLN A 94 -3.650 -13.165 10.591 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -4.081 -13.834 11.531 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -2.393 -13.251 10.169 1.00 0.00 N ATOM 0 H GLN A 94 -4.661 -11.065 7.143 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.511 -13.559 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.149 -12.205 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.741 -13.785 9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.940 -11.377 9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.251 -11.747 10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.078 -12.678 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.744 -13.890 10.628 1.00 0.00 H new ATOM 1402 N GLY A 95 -5.366 -15.340 7.077 1.00 0.00 N ATOM 1403 CA GLY A 95 -6.032 -16.368 6.299 1.00 0.00 C ATOM 1404 C GLY A 95 -7.506 -16.485 6.633 1.00 0.00 C ATOM 1405 O GLY A 95 -7.910 -17.372 7.385 1.00 0.00 O ATOM 0 H GLY A 95 -5.075 -15.630 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.920 -16.146 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.545 -17.327 6.477 1.00 0.00 H new ATOM 1409 N ARG A 96 -8.311 -15.588 6.073 1.00 0.00 N ATOM 1410 CA ARG A 96 -9.748 -15.594 6.319 1.00 0.00 C ATOM 1411 C ARG A 96 -10.286 -17.021 6.367 1.00 0.00 C ATOM 1412 O ARG A 96 -9.664 -17.947 5.847 1.00 0.00 O ATOM 1413 CB ARG A 96 -10.475 -14.800 5.232 1.00 0.00 C ATOM 1414 CG ARG A 96 -11.989 -14.840 5.358 1.00 0.00 C ATOM 1415 CD ARG A 96 -12.640 -13.675 4.629 1.00 0.00 C ATOM 1416 NE ARG A 96 -13.928 -13.313 5.216 1.00 0.00 N ATOM 1417 CZ ARG A 96 -14.866 -12.632 4.567 1.00 0.00 C ATOM 1418 NH1 ARG A 96 -14.661 -12.241 3.317 1.00 0.00 N ATOM 1419 NH2 ARG A 96 -16.012 -12.341 5.169 1.00 0.00 N ATOM 0 H ARG A 96 -7.993 -14.849 5.447 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.928 -15.124 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.143 -13.762 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.190 -15.192 4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.364 -15.780 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.268 -14.813 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.974 -12.813 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.780 -13.936 3.580 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.117 -13.599 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.781 -12.463 2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.383 -11.718 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.173 -12.640 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.732 -11.818 4.670 1.00 0.00 H new ATOM 1433 N ARG A 97 -11.445 -17.190 6.996 1.00 0.00 N ATOM 1434 CA ARG A 97 -12.065 -18.503 7.114 1.00 0.00 C ATOM 1435 C ARG A 97 -11.873 -19.313 5.835 1.00 0.00 C ATOM 1436 O ARG A 97 -11.812 -20.542 5.869 1.00 0.00 O ATOM 1437 CB ARG A 97 -13.557 -18.361 7.420 1.00 0.00 C ATOM 1438 CG ARG A 97 -14.189 -19.627 7.976 1.00 0.00 C ATOM 1439 CD ARG A 97 -15.627 -19.388 8.409 1.00 0.00 C ATOM 1440 NE ARG A 97 -15.716 -18.971 9.806 1.00 0.00 N ATOM 1441 CZ ARG A 97 -16.805 -19.123 10.550 1.00 0.00 C ATOM 1442 NH1 ARG A 97 -17.893 -19.678 10.034 1.00 0.00 N ATOM 1443 NH2 ARG A 97 -16.809 -18.718 11.814 1.00 0.00 N ATOM 0 H ARG A 97 -11.973 -16.434 7.431 1.00 0.00 H new ATOM 0 HA ARG A 97 -11.581 -19.032 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.697 -17.551 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.080 -18.074 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -14.161 -20.411 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -13.606 -19.983 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.075 -18.624 7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.205 -20.301 8.266 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.897 -18.539 10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.895 -19.990 9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.728 -19.793 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.975 -18.289 12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.646 -18.835 12.384 1.00 0.00 H new ATOM 1457 N SER A 98 -11.778 -18.615 4.708 1.00 0.00 N ATOM 1458 CA SER A 98 -11.597 -19.268 3.417 1.00 0.00 C ATOM 1459 C SER A 98 -12.515 -20.480 3.288 1.00 0.00 C ATOM 1460 O SER A 98 -12.083 -21.561 2.889 1.00 0.00 O ATOM 1461 CB SER A 98 -10.139 -19.697 3.239 1.00 0.00 C ATOM 1462 OG SER A 98 -9.800 -19.791 1.866 1.00 0.00 O ATOM 0 H SER A 98 -11.823 -17.597 4.663 1.00 0.00 H new ATOM 0 HA SER A 98 -11.856 -18.553 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.483 -18.979 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.978 -20.660 3.724 1.00 0.00 H new ATOM 0 HG SER A 98 -8.863 -20.065 1.778 1.00 0.00 H new ATOM 1468 N GLY A 99 -13.786 -20.291 3.629 1.00 0.00 N ATOM 1469 CA GLY A 99 -14.746 -21.376 3.545 1.00 0.00 C ATOM 1470 C GLY A 99 -15.239 -21.606 2.130 1.00 0.00 C ATOM 1471 O GLY A 99 -15.041 -20.780 1.239 1.00 0.00 O ATOM 0 H GLY A 99 -14.168 -19.406 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.289 -22.291 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.596 -21.156 4.191 1.00 0.00 H new ATOM 1475 N PRO A 100 -15.897 -22.753 1.907 1.00 0.00 N ATOM 1476 CA PRO A 100 -16.432 -23.117 0.592 1.00 0.00 C ATOM 1477 C PRO A 100 -17.616 -22.245 0.187 1.00 0.00 C ATOM 1478 O PRO A 100 -17.844 -22.003 -0.999 1.00 0.00 O ATOM 1479 CB PRO A 100 -16.877 -24.569 0.779 1.00 0.00 C ATOM 1480 CG PRO A 100 -17.148 -24.698 2.238 1.00 0.00 C ATOM 1481 CD PRO A 100 -16.170 -23.784 2.923 1.00 0.00 C ATOM 0 HA PRO A 100 -15.695 -22.982 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.767 -24.789 0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.102 -25.265 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.175 -24.416 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.018 -25.728 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.592 -23.352 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.262 -24.312 3.213 1.00 0.00 H new ATOM 1489 N SER A 101 -18.367 -21.776 1.178 1.00 0.00 N ATOM 1490 CA SER A 101 -19.530 -20.934 0.924 1.00 0.00 C ATOM 1491 C SER A 101 -19.123 -19.648 0.212 1.00 0.00 C ATOM 1492 O SER A 101 -18.081 -19.064 0.508 1.00 0.00 O ATOM 1493 CB SER A 101 -20.241 -20.601 2.237 1.00 0.00 C ATOM 1494 OG SER A 101 -20.605 -21.781 2.934 1.00 0.00 O ATOM 0 H SER A 101 -18.191 -21.965 2.165 1.00 0.00 H new ATOM 0 HA SER A 101 -20.214 -21.485 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.589 -19.992 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.132 -20.007 2.031 1.00 0.00 H new ATOM 0 HG SER A 101 -21.056 -21.541 3.770 1.00 0.00 H new ATOM 1500 N SER A 102 -19.955 -19.212 -0.729 1.00 0.00 N ATOM 1501 CA SER A 102 -19.681 -17.996 -1.487 1.00 0.00 C ATOM 1502 C SER A 102 -20.381 -16.795 -0.858 1.00 0.00 C ATOM 1503 O SER A 102 -21.340 -16.946 -0.103 1.00 0.00 O ATOM 1504 CB SER A 102 -20.135 -18.163 -2.939 1.00 0.00 C ATOM 1505 OG SER A 102 -21.542 -18.311 -3.020 1.00 0.00 O ATOM 0 H SER A 102 -20.823 -19.682 -0.985 1.00 0.00 H new ATOM 0 HA SER A 102 -18.606 -17.819 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.823 -17.297 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.649 -19.035 -3.377 1.00 0.00 H new ATOM 0 HG SER A 102 -21.807 -18.414 -3.958 1.00 0.00 H new ATOM 1511 N GLY A 103 -19.892 -15.600 -1.177 1.00 0.00 N ATOM 1512 CA GLY A 103 -20.481 -14.390 -0.635 1.00 0.00 C ATOM 1513 C GLY A 103 -20.158 -14.194 0.833 1.00 0.00 C ATOM 1514 O GLY A 103 -19.727 -15.128 1.510 1.00 0.00 O ATOM 0 H GLY A 103 -19.099 -15.449 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.122 -13.530 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.563 -14.427 -0.764 1.00 0.00 H new TER 1518 GLY A 103