USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 688 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 46 SER OG : rot 180:sc= 0.037 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -0.0424 USER MOD Set 2.1: A 35 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= 0 F(o=-1.5,f=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 -29:sc= 0.119 USER MOD Single : A 5 SER OG : rot 45:sc= 0.763 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.9! C(o=-5.1!,f=-3.9!) USER MOD Single : A 22 GLN : amide:sc= 0.0177 X(o=0.018,f=-0.25) USER MOD Single : A 32 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.797 X(o=-0.8,f=-1.1!) USER MOD Single : A 52 THR OG1 : rot -62:sc= -0.287 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 61 SER OG : rot 180:sc= -0.153 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -41:sc= 0.909 USER MOD Single : A 73 THR OG1 : rot 23:sc= 0.131! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -14:sc= 0.794 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 82 THR OG1 : rot 101:sc= 0.671 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=-0.000622 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.171 10.217 -15.004 1.00 0.00 N ATOM 2 CA GLY A 1 18.578 8.893 -14.976 1.00 0.00 C ATOM 3 C GLY A 1 18.720 8.223 -13.623 1.00 0.00 C ATOM 4 O GLY A 1 19.775 7.675 -13.302 1.00 0.00 O ATOM 0 H1 GLY A 1 19.048 10.633 -15.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.705 10.821 -14.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.185 10.148 -14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.521 8.966 -15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.049 8.271 -15.737 1.00 0.00 H new ATOM 8 N SER A 2 17.657 8.269 -12.827 1.00 0.00 N ATOM 9 CA SER A 2 17.670 7.667 -11.499 1.00 0.00 C ATOM 10 C SER A 2 17.189 6.220 -11.554 1.00 0.00 C ATOM 11 O SER A 2 16.299 5.879 -12.333 1.00 0.00 O ATOM 12 CB SER A 2 16.789 8.472 -10.542 1.00 0.00 C ATOM 13 OG SER A 2 17.507 9.554 -9.976 1.00 0.00 O ATOM 0 H SER A 2 16.776 8.717 -13.078 1.00 0.00 H new ATOM 0 HA SER A 2 18.697 7.678 -11.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.917 8.850 -11.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.420 7.822 -9.749 1.00 0.00 H new ATOM 0 HG SER A 2 16.921 10.054 -9.370 1.00 0.00 H new ATOM 19 N SER A 3 17.786 5.372 -10.722 1.00 0.00 N ATOM 20 CA SER A 3 17.423 3.961 -10.678 1.00 0.00 C ATOM 21 C SER A 3 17.892 3.320 -9.375 1.00 0.00 C ATOM 22 O SER A 3 19.029 3.516 -8.948 1.00 0.00 O ATOM 23 CB SER A 3 18.028 3.219 -11.872 1.00 0.00 C ATOM 24 OG SER A 3 17.800 3.925 -13.079 1.00 0.00 O ATOM 0 H SER A 3 18.523 5.638 -10.069 1.00 0.00 H new ATOM 0 HA SER A 3 16.337 3.889 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.099 3.090 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.594 2.222 -11.943 1.00 0.00 H new ATOM 0 HG SER A 3 16.968 4.438 -13.006 1.00 0.00 H new ATOM 30 N GLY A 4 17.006 2.551 -8.749 1.00 0.00 N ATOM 31 CA GLY A 4 17.347 1.892 -7.501 1.00 0.00 C ATOM 32 C GLY A 4 17.476 2.867 -6.347 1.00 0.00 C ATOM 33 O GLY A 4 16.525 3.077 -5.595 1.00 0.00 O ATOM 0 H GLY A 4 16.059 2.373 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.583 1.152 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.286 1.352 -7.623 1.00 0.00 H new ATOM 37 N SER A 5 18.656 3.462 -6.206 1.00 0.00 N ATOM 38 CA SER A 5 18.907 4.416 -5.132 1.00 0.00 C ATOM 39 C SER A 5 18.571 5.836 -5.577 1.00 0.00 C ATOM 40 O SER A 5 19.446 6.587 -6.008 1.00 0.00 O ATOM 41 CB SER A 5 20.369 4.341 -4.687 1.00 0.00 C ATOM 42 OG SER A 5 21.245 4.626 -5.764 1.00 0.00 O ATOM 0 H SER A 5 19.453 3.300 -6.822 1.00 0.00 H new ATOM 0 HA SER A 5 18.264 4.156 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.542 5.048 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.582 3.347 -4.294 1.00 0.00 H new ATOM 0 HG SER A 5 20.919 5.411 -6.252 1.00 0.00 H new ATOM 48 N SER A 6 17.297 6.197 -5.468 1.00 0.00 N ATOM 49 CA SER A 6 16.843 7.526 -5.862 1.00 0.00 C ATOM 50 C SER A 6 17.104 8.540 -4.752 1.00 0.00 C ATOM 51 O SER A 6 17.669 9.607 -4.991 1.00 0.00 O ATOM 52 CB SER A 6 15.352 7.498 -6.203 1.00 0.00 C ATOM 53 OG SER A 6 14.633 6.693 -5.284 1.00 0.00 O ATOM 0 H SER A 6 16.561 5.588 -5.110 1.00 0.00 H new ATOM 0 HA SER A 6 17.405 7.828 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.954 8.513 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.214 7.113 -7.213 1.00 0.00 H new ATOM 0 HG SER A 6 13.683 6.693 -5.523 1.00 0.00 H new ATOM 59 N GLY A 7 16.686 8.199 -3.537 1.00 0.00 N ATOM 60 CA GLY A 7 16.883 9.090 -2.408 1.00 0.00 C ATOM 61 C GLY A 7 15.600 9.349 -1.644 1.00 0.00 C ATOM 62 O GLY A 7 15.153 10.491 -1.534 1.00 0.00 O ATOM 0 H GLY A 7 16.215 7.322 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.623 8.659 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.289 10.037 -2.763 1.00 0.00 H new ATOM 66 N VAL A 8 15.004 8.285 -1.114 1.00 0.00 N ATOM 67 CA VAL A 8 13.763 8.402 -0.356 1.00 0.00 C ATOM 68 C VAL A 8 13.768 7.472 0.852 1.00 0.00 C ATOM 69 O VAL A 8 14.686 6.673 1.028 1.00 0.00 O ATOM 70 CB VAL A 8 12.538 8.082 -1.232 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.333 8.893 -0.782 1.00 0.00 C ATOM 72 CG2 VAL A 8 12.849 8.343 -2.698 1.00 0.00 C ATOM 0 H VAL A 8 15.360 7.333 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 8 13.696 9.435 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 8 12.298 7.025 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.477 8.653 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.099 8.652 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.558 9.956 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.972 8.112 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.116 9.391 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.682 7.713 -3.011 1.00 0.00 H new ATOM 82 N GLU A 9 12.735 7.583 1.681 1.00 0.00 N ATOM 83 CA GLU A 9 12.620 6.752 2.874 1.00 0.00 C ATOM 84 C GLU A 9 11.719 5.548 2.613 1.00 0.00 C ATOM 85 O GLU A 9 10.494 5.648 2.686 1.00 0.00 O ATOM 86 CB GLU A 9 12.069 7.571 4.043 1.00 0.00 C ATOM 87 CG GLU A 9 10.673 8.117 3.799 1.00 0.00 C ATOM 88 CD GLU A 9 10.380 9.358 4.620 1.00 0.00 C ATOM 89 OE1 GLU A 9 10.888 10.441 4.262 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.641 9.245 5.621 1.00 0.00 O ATOM 0 H GLU A 9 11.966 8.240 1.549 1.00 0.00 H new ATOM 0 HA GLU A 9 13.616 6.391 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.055 6.948 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.745 8.402 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.558 8.351 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.939 7.347 4.037 1.00 0.00 H new ATOM 97 N VAL A 10 12.335 4.410 2.308 1.00 0.00 N ATOM 98 CA VAL A 10 11.591 3.186 2.037 1.00 0.00 C ATOM 99 C VAL A 10 11.390 2.371 3.309 1.00 0.00 C ATOM 100 O VAL A 10 12.235 1.554 3.674 1.00 0.00 O ATOM 101 CB VAL A 10 12.307 2.314 0.989 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.518 1.041 0.724 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.522 3.096 -0.298 1.00 0.00 C ATOM 0 H VAL A 10 13.348 4.311 2.242 1.00 0.00 H new ATOM 0 HA VAL A 10 10.619 3.487 1.645 1.00 0.00 H new ATOM 0 HB VAL A 10 13.283 2.032 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.040 0.438 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.422 0.473 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.527 1.298 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.029 2.464 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.558 3.410 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.133 3.975 -0.092 1.00 0.00 H new ATOM 113 N GLU A 11 10.267 2.600 3.981 1.00 0.00 N ATOM 114 CA GLU A 11 9.956 1.887 5.215 1.00 0.00 C ATOM 115 C GLU A 11 9.840 0.386 4.960 1.00 0.00 C ATOM 116 O GLU A 11 8.906 -0.073 4.304 1.00 0.00 O ATOM 117 CB GLU A 11 8.654 2.414 5.821 1.00 0.00 C ATOM 118 CG GLU A 11 8.602 2.310 7.336 1.00 0.00 C ATOM 119 CD GLU A 11 7.394 3.010 7.928 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.323 2.991 7.287 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.521 3.577 9.034 1.00 0.00 O ATOM 0 H GLU A 11 9.557 3.273 3.692 1.00 0.00 H new ATOM 0 HA GLU A 11 10.771 2.058 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.525 3.457 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.816 1.860 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.585 1.259 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.510 2.741 7.757 1.00 0.00 H new ATOM 128 N SER A 12 10.797 -0.372 5.486 1.00 0.00 N ATOM 129 CA SER A 12 10.806 -1.820 5.313 1.00 0.00 C ATOM 130 C SER A 12 9.848 -2.490 6.293 1.00 0.00 C ATOM 131 O SER A 12 9.624 -1.994 7.397 1.00 0.00 O ATOM 132 CB SER A 12 12.220 -2.370 5.508 1.00 0.00 C ATOM 133 OG SER A 12 12.187 -3.701 5.993 1.00 0.00 O ATOM 0 H SER A 12 11.576 -0.008 6.035 1.00 0.00 H new ATOM 0 HA SER A 12 10.475 -2.042 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.760 -2.338 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.766 -1.738 6.208 1.00 0.00 H new ATOM 0 HG SER A 12 13.103 -4.030 6.108 1.00 0.00 H new ATOM 139 N PHE A 13 9.284 -3.621 5.881 1.00 0.00 N ATOM 140 CA PHE A 13 8.349 -4.360 6.721 1.00 0.00 C ATOM 141 C PHE A 13 8.503 -5.864 6.513 1.00 0.00 C ATOM 142 O PHE A 13 9.066 -6.310 5.513 1.00 0.00 O ATOM 143 CB PHE A 13 6.911 -3.936 6.416 1.00 0.00 C ATOM 144 CG PHE A 13 6.492 -2.682 7.129 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.868 -1.438 6.648 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.723 -2.747 8.279 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.484 -0.282 7.302 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.336 -1.595 8.937 1.00 0.00 C ATOM 149 CZ PHE A 13 5.716 -0.361 8.447 1.00 0.00 C ATOM 0 H PHE A 13 9.458 -4.046 4.970 1.00 0.00 H new ATOM 0 HA PHE A 13 8.575 -4.130 7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.805 -3.786 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.235 -4.745 6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.468 -1.371 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.422 -3.709 8.666 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.784 0.682 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.737 -1.660 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.413 0.541 8.958 1.00 0.00 H new ATOM 159 N LEU A 14 7.999 -6.641 7.465 1.00 0.00 N ATOM 160 CA LEU A 14 8.079 -8.096 7.388 1.00 0.00 C ATOM 161 C LEU A 14 6.919 -8.746 8.135 1.00 0.00 C ATOM 162 O LEU A 14 6.662 -8.433 9.297 1.00 0.00 O ATOM 163 CB LEU A 14 9.409 -8.584 7.965 1.00 0.00 C ATOM 164 CG LEU A 14 9.698 -10.078 7.815 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.677 -10.899 8.587 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.704 -10.475 6.346 1.00 0.00 C ATOM 0 H LEU A 14 7.530 -6.288 8.300 1.00 0.00 H new ATOM 0 HA LEU A 14 8.017 -8.383 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.215 -8.029 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.436 -8.334 9.026 1.00 0.00 H new ATOM 0 HG LEU A 14 10.685 -10.281 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.899 -11.960 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.721 -10.635 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.678 -10.692 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.911 -11.541 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.731 -10.257 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.474 -9.911 5.820 1.00 0.00 H new ATOM 178 N VAL A 15 6.222 -9.654 7.459 1.00 0.00 N ATOM 179 CA VAL A 15 5.091 -10.351 8.059 1.00 0.00 C ATOM 180 C VAL A 15 4.948 -11.758 7.491 1.00 0.00 C ATOM 181 O VAL A 15 5.781 -12.209 6.704 1.00 0.00 O ATOM 182 CB VAL A 15 3.775 -9.583 7.835 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.813 -8.239 8.547 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.512 -9.400 6.348 1.00 0.00 C ATOM 0 H VAL A 15 6.421 -9.924 6.496 1.00 0.00 H new ATOM 0 HA VAL A 15 5.289 -10.413 9.129 1.00 0.00 H new ATOM 0 HB VAL A 15 2.957 -10.168 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.875 -7.711 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.952 -8.398 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.640 -7.644 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.578 -8.855 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.331 -8.837 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.438 -10.376 5.869 1.00 0.00 H new ATOM 194 N HIS A 16 3.885 -12.448 7.893 1.00 0.00 N ATOM 195 CA HIS A 16 3.632 -13.805 7.422 1.00 0.00 C ATOM 196 C HIS A 16 2.194 -13.951 6.933 1.00 0.00 C ATOM 197 O HIS A 16 1.357 -13.068 7.119 1.00 0.00 O ATOM 198 CB HIS A 16 3.909 -14.814 8.537 1.00 0.00 C ATOM 199 CG HIS A 16 2.671 -15.457 9.084 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.472 -14.926 9.418 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.579 -16.807 9.350 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.684 -15.954 9.873 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.375 -17.079 9.822 1.00 0.00 N flip ATOM 0 H HIS A 16 3.186 -12.090 8.543 1.00 0.00 H new ATOM 0 HA HIS A 16 4.303 -14.005 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.574 -15.590 8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.436 -14.311 9.348 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.367 -17.529 9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.335 -15.859 10.217 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.037 -18.000 10.100 1.00 0.00 H new ATOM 212 N PRO A 17 1.899 -15.092 6.292 1.00 0.00 N ATOM 213 CA PRO A 17 0.563 -15.380 5.763 1.00 0.00 C ATOM 214 C PRO A 17 -0.459 -15.623 6.869 1.00 0.00 C ATOM 215 O PRO A 17 -0.612 -16.745 7.351 1.00 0.00 O ATOM 216 CB PRO A 17 0.773 -16.654 4.941 1.00 0.00 C ATOM 217 CG PRO A 17 1.965 -17.306 5.553 1.00 0.00 C ATOM 218 CD PRO A 17 2.848 -16.189 6.035 1.00 0.00 C ATOM 0 HA PRO A 17 0.165 -14.545 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.101 -17.304 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.944 -16.423 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.673 -17.956 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.486 -17.928 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.393 -16.468 6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.590 -15.912 5.286 1.00 0.00 H new ATOM 226 N GLY A 18 -1.156 -14.564 7.268 1.00 0.00 N ATOM 227 CA GLY A 18 -2.154 -14.684 8.314 1.00 0.00 C ATOM 228 C GLY A 18 -2.066 -13.562 9.331 1.00 0.00 C ATOM 229 O GLY A 18 -2.930 -13.433 10.199 1.00 0.00 O ATOM 0 H GLY A 18 -1.047 -13.625 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.147 -14.687 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.031 -15.641 8.821 1.00 0.00 H new ATOM 233 N ASP A 19 -1.020 -12.751 9.225 1.00 0.00 N ATOM 234 CA ASP A 19 -0.822 -11.635 10.143 1.00 0.00 C ATOM 235 C ASP A 19 -1.598 -10.406 9.680 1.00 0.00 C ATOM 236 O ASP A 19 -2.357 -10.467 8.712 1.00 0.00 O ATOM 237 CB ASP A 19 0.666 -11.301 10.259 1.00 0.00 C ATOM 238 CG ASP A 19 1.393 -12.219 11.221 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.719 -13.024 11.898 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.637 -12.134 11.297 1.00 0.00 O ATOM 0 H ASP A 19 -0.296 -12.845 8.513 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.197 -11.931 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.129 -11.371 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.779 -10.269 10.591 1.00 0.00 H new ATOM 245 N LEU A 20 -1.403 -9.293 10.378 1.00 0.00 N ATOM 246 CA LEU A 20 -2.085 -8.049 10.039 1.00 0.00 C ATOM 247 C LEU A 20 -1.103 -7.023 9.483 1.00 0.00 C ATOM 248 O LEU A 20 -0.298 -6.454 10.222 1.00 0.00 O ATOM 249 CB LEU A 20 -2.791 -7.480 11.271 1.00 0.00 C ATOM 250 CG LEU A 20 -3.615 -6.211 11.047 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.817 -6.504 10.162 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.061 -5.623 12.378 1.00 0.00 C ATOM 0 H LEU A 20 -0.779 -9.226 11.182 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.827 -8.268 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.449 -8.249 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.039 -7.271 12.032 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.987 -5.478 10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.391 -5.589 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.476 -6.879 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.447 -7.254 10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.646 -4.721 12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.671 -6.352 12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.185 -5.375 12.978 1.00 0.00 H new ATOM 264 N LEU A 21 -1.176 -6.789 8.178 1.00 0.00 N ATOM 265 CA LEU A 21 -0.295 -5.829 7.522 1.00 0.00 C ATOM 266 C LEU A 21 -0.803 -4.404 7.714 1.00 0.00 C ATOM 267 O LEU A 21 -1.777 -3.992 7.085 1.00 0.00 O ATOM 268 CB LEU A 21 -0.184 -6.146 6.029 1.00 0.00 C ATOM 269 CG LEU A 21 0.750 -5.245 5.220 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.199 -5.492 5.609 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.550 -5.473 3.729 1.00 0.00 C ATOM 0 H LEU A 21 -1.836 -7.251 7.553 1.00 0.00 H new ATOM 0 HA LEU A 21 0.692 -5.908 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.154 -7.177 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.180 -6.090 5.591 1.00 0.00 H new ATOM 0 HG LEU A 21 0.507 -4.206 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.849 -4.842 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.333 -5.278 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.456 -6.533 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.222 -4.824 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.766 -6.514 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.482 -5.245 3.461 1.00 0.00 H new ATOM 283 N GLN A 22 -0.135 -3.655 8.586 1.00 0.00 N ATOM 284 CA GLN A 22 -0.518 -2.275 8.859 1.00 0.00 C ATOM 285 C GLN A 22 0.546 -1.305 8.356 1.00 0.00 C ATOM 286 O GLN A 22 1.743 -1.533 8.535 1.00 0.00 O ATOM 287 CB GLN A 22 -0.741 -2.073 10.359 1.00 0.00 C ATOM 288 CG GLN A 22 -2.087 -2.584 10.848 1.00 0.00 C ATOM 289 CD GLN A 22 -2.380 -2.179 12.279 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.474 -2.081 13.107 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.652 -1.940 12.578 1.00 0.00 N ATOM 0 H GLN A 22 0.674 -3.981 9.115 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.449 -2.071 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.052 -2.581 10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.659 -1.011 10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.874 -2.202 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.109 -3.671 10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.371 -2.033 11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.910 -1.663 13.525 1.00 0.00 H new ATOM 300 N LEU A 23 0.102 -0.222 7.727 1.00 0.00 N ATOM 301 CA LEU A 23 1.016 0.784 7.198 1.00 0.00 C ATOM 302 C LEU A 23 0.568 2.188 7.591 1.00 0.00 C ATOM 303 O LEU A 23 -0.507 2.369 8.164 1.00 0.00 O ATOM 304 CB LEU A 23 1.102 0.672 5.674 1.00 0.00 C ATOM 305 CG LEU A 23 1.548 -0.683 5.125 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.451 -0.703 3.608 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.967 -1.000 5.575 1.00 0.00 C ATOM 0 H LEU A 23 -0.885 -0.018 7.571 1.00 0.00 H new ATOM 0 HA LEU A 23 2.002 0.604 7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.123 0.906 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.793 1.433 5.312 1.00 0.00 H new ATOM 0 HG LEU A 23 0.883 -1.450 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.773 -1.676 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.419 -0.522 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.092 0.075 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.268 -1.968 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.645 -0.229 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.005 -1.030 6.664 1.00 0.00 H new ATOM 319 N ARG A 24 1.397 3.177 7.279 1.00 0.00 N ATOM 320 CA ARG A 24 1.086 4.565 7.599 1.00 0.00 C ATOM 321 C ARG A 24 1.701 5.511 6.571 1.00 0.00 C ATOM 322 O ARG A 24 2.784 5.254 6.044 1.00 0.00 O ATOM 323 CB ARG A 24 1.595 4.915 8.998 1.00 0.00 C ATOM 324 CG ARG A 24 0.946 6.155 9.591 1.00 0.00 C ATOM 325 CD ARG A 24 1.510 6.475 10.966 1.00 0.00 C ATOM 326 NE ARG A 24 0.575 7.256 11.772 1.00 0.00 N ATOM 327 CZ ARG A 24 0.948 8.040 12.777 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.231 8.148 13.097 1.00 0.00 N ATOM 329 NH2 ARG A 24 0.038 8.720 13.464 1.00 0.00 N ATOM 0 H ARG A 24 2.290 3.044 6.805 1.00 0.00 H new ATOM 0 HA ARG A 24 0.003 4.683 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.417 4.069 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.674 5.065 8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.104 7.003 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.131 6.004 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.749 5.547 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.443 7.028 10.856 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.419 7.196 11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.933 7.628 12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.515 8.751 13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.949 8.641 13.220 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.326 9.322 14.236 1.00 0.00 H new ATOM 343 N CYS A 25 1.003 6.607 6.291 1.00 0.00 N ATOM 344 CA CYS A 25 1.478 7.591 5.327 1.00 0.00 C ATOM 345 C CYS A 25 1.703 8.944 5.996 1.00 0.00 C ATOM 346 O CYS A 25 0.799 9.494 6.625 1.00 0.00 O ATOM 347 CB CYS A 25 0.476 7.737 4.180 1.00 0.00 C ATOM 348 SG CYS A 25 0.962 8.959 2.919 1.00 0.00 S ATOM 0 H CYS A 25 0.106 6.835 6.719 1.00 0.00 H new ATOM 0 HA CYS A 25 2.430 7.241 4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.346 6.767 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.492 8.021 4.592 1.00 0.00 H new ATOM 353 N ARG A 26 2.914 9.473 5.855 1.00 0.00 N ATOM 354 CA ARG A 26 3.258 10.761 6.447 1.00 0.00 C ATOM 355 C ARG A 26 2.520 11.896 5.744 1.00 0.00 C ATOM 356 O ARG A 26 2.794 12.206 4.584 1.00 0.00 O ATOM 357 CB ARG A 26 4.768 10.994 6.368 1.00 0.00 C ATOM 358 CG ARG A 26 5.531 10.455 7.568 1.00 0.00 C ATOM 359 CD ARG A 26 7.031 10.645 7.405 1.00 0.00 C ATOM 360 NE ARG A 26 7.436 12.029 7.635 1.00 0.00 N ATOM 361 CZ ARG A 26 8.703 12.424 7.692 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.683 11.544 7.536 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.992 13.701 7.906 1.00 0.00 N ATOM 0 H ARG A 26 3.673 9.030 5.337 1.00 0.00 H new ATOM 0 HA ARG A 26 2.953 10.746 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.153 10.524 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.958 12.064 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.195 10.962 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.309 9.396 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.557 9.993 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.328 10.343 6.401 1.00 0.00 H new ATOM 0 HE ARG A 26 6.706 12.731 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.465 10.561 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.655 11.850 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.241 14.381 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.965 14.003 7.950 1.00 0.00 H new ATOM 377 N LEU A 27 1.582 12.514 6.455 1.00 0.00 N ATOM 378 CA LEU A 27 0.803 13.615 5.900 1.00 0.00 C ATOM 379 C LEU A 27 1.375 14.960 6.337 1.00 0.00 C ATOM 380 O LEU A 27 2.261 15.022 7.189 1.00 0.00 O ATOM 381 CB LEU A 27 -0.658 13.503 6.337 1.00 0.00 C ATOM 382 CG LEU A 27 -1.424 12.287 5.815 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.909 12.421 6.115 1.00 0.00 C ATOM 384 CD2 LEU A 27 -1.194 12.113 4.321 1.00 0.00 C ATOM 0 H LEU A 27 1.343 12.271 7.416 1.00 0.00 H new ATOM 0 HA LEU A 27 0.856 13.554 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.690 13.487 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.182 14.403 6.016 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.050 11.400 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.437 11.546 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.057 12.496 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.298 13.317 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.747 11.243 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.540 13.002 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.130 11.969 4.131 1.00 0.00 H new ATOM 396 N ARG A 28 0.860 16.035 5.749 1.00 0.00 N ATOM 397 CA ARG A 28 1.318 17.380 6.078 1.00 0.00 C ATOM 398 C ARG A 28 0.149 18.264 6.503 1.00 0.00 C ATOM 399 O ARG A 28 -0.995 17.813 6.559 1.00 0.00 O ATOM 400 CB ARG A 28 2.035 18.005 4.880 1.00 0.00 C ATOM 401 CG ARG A 28 2.766 16.994 4.012 1.00 0.00 C ATOM 402 CD ARG A 28 3.240 17.617 2.708 1.00 0.00 C ATOM 403 NE ARG A 28 4.171 18.719 2.935 1.00 0.00 N ATOM 404 CZ ARG A 28 5.042 19.144 2.027 1.00 0.00 C ATOM 405 NH1 ARG A 28 5.100 18.563 0.836 1.00 0.00 N ATOM 406 NH2 ARG A 28 5.857 20.152 2.308 1.00 0.00 N ATOM 0 H ARG A 28 0.125 16.001 5.042 1.00 0.00 H new ATOM 0 HA ARG A 28 2.016 17.305 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.306 18.537 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.749 18.745 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.621 16.595 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.106 16.154 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.723 16.855 2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.380 17.979 2.145 1.00 0.00 H new ATOM 0 HE ARG A 28 4.151 19.188 3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.475 17.788 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.770 18.891 0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.815 20.602 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.525 20.477 1.610 1.00 0.00 H new ATOM 420 N ASP A 29 0.446 19.523 6.803 1.00 0.00 N ATOM 421 CA ASP A 29 -0.580 20.471 7.222 1.00 0.00 C ATOM 422 C ASP A 29 -1.245 21.122 6.014 1.00 0.00 C ATOM 423 O ASP A 29 -2.157 21.937 6.159 1.00 0.00 O ATOM 424 CB ASP A 29 0.027 21.545 8.126 1.00 0.00 C ATOM 425 CG ASP A 29 1.259 21.055 8.861 1.00 0.00 C ATOM 426 OD1 ASP A 29 2.350 21.050 8.254 1.00 0.00 O ATOM 427 OD2 ASP A 29 1.132 20.677 10.045 1.00 0.00 O ATOM 0 H ASP A 29 1.388 19.911 6.764 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.339 19.923 7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.288 22.416 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.719 21.870 8.851 1.00 0.00 H new ATOM 432 N ASP A 30 -0.784 20.758 4.823 1.00 0.00 N ATOM 433 CA ASP A 30 -1.334 21.306 3.589 1.00 0.00 C ATOM 434 C ASP A 30 -1.967 20.207 2.741 1.00 0.00 C ATOM 435 O ASP A 30 -2.850 20.470 1.924 1.00 0.00 O ATOM 436 CB ASP A 30 -0.242 22.019 2.791 1.00 0.00 C ATOM 437 CG ASP A 30 0.159 23.343 3.411 1.00 0.00 C ATOM 438 OD1 ASP A 30 -0.734 24.185 3.639 1.00 0.00 O ATOM 439 OD2 ASP A 30 1.366 23.536 3.669 1.00 0.00 O ATOM 0 H ASP A 30 -0.030 20.085 4.686 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.108 22.027 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.634 21.374 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.593 22.189 1.773 1.00 0.00 H new ATOM 444 N VAL A 31 -1.508 18.976 2.939 1.00 0.00 N ATOM 445 CA VAL A 31 -2.029 17.837 2.192 1.00 0.00 C ATOM 446 C VAL A 31 -3.536 17.953 1.992 1.00 0.00 C ATOM 447 O VAL A 31 -4.260 18.374 2.894 1.00 0.00 O ATOM 448 CB VAL A 31 -1.718 16.508 2.907 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.688 15.423 2.463 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.280 16.088 2.647 1.00 0.00 C ATOM 0 H VAL A 31 -0.777 18.741 3.610 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.535 17.843 1.220 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.841 16.655 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.453 14.492 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.707 15.725 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.600 15.274 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.077 15.148 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.127 15.958 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.397 16.857 3.019 1.00 0.00 H new ATOM 460 N GLN A 32 -4.000 17.577 0.805 1.00 0.00 N ATOM 461 CA GLN A 32 -5.422 17.640 0.487 1.00 0.00 C ATOM 462 C GLN A 32 -6.014 16.240 0.361 1.00 0.00 C ATOM 463 O GLN A 32 -7.150 15.996 0.768 1.00 0.00 O ATOM 464 CB GLN A 32 -5.641 18.418 -0.811 1.00 0.00 C ATOM 465 CG GLN A 32 -5.236 19.880 -0.720 1.00 0.00 C ATOM 466 CD GLN A 32 -6.054 20.771 -1.634 1.00 0.00 C ATOM 467 OE1 GLN A 32 -7.122 20.380 -2.108 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.558 21.977 -1.886 1.00 0.00 N ATOM 0 H GLN A 32 -3.413 17.226 0.048 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.929 18.157 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.074 17.942 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.694 18.358 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.349 20.221 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.180 19.977 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.670 22.260 -1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.065 22.620 -2.493 1.00 0.00 H new ATOM 477 N SER A 33 -5.236 15.323 -0.207 1.00 0.00 N ATOM 478 CA SER A 33 -5.686 13.948 -0.390 1.00 0.00 C ATOM 479 C SER A 33 -4.504 12.983 -0.371 1.00 0.00 C ATOM 480 O SER A 33 -3.350 13.401 -0.268 1.00 0.00 O ATOM 481 CB SER A 33 -6.449 13.810 -1.709 1.00 0.00 C ATOM 482 OG SER A 33 -7.406 12.768 -1.637 1.00 0.00 O ATOM 0 H SER A 33 -4.292 15.507 -0.548 1.00 0.00 H new ATOM 0 HA SER A 33 -6.352 13.697 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.947 14.750 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.748 13.609 -2.519 1.00 0.00 H new ATOM 0 HG SER A 33 -7.881 12.701 -2.491 1.00 0.00 H new ATOM 488 N ILE A 34 -4.800 11.692 -0.471 1.00 0.00 N ATOM 489 CA ILE A 34 -3.763 10.668 -0.467 1.00 0.00 C ATOM 490 C ILE A 34 -4.030 9.611 -1.533 1.00 0.00 C ATOM 491 O ILE A 34 -5.172 9.210 -1.752 1.00 0.00 O ATOM 492 CB ILE A 34 -3.658 9.979 0.907 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.706 11.020 2.028 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.379 9.160 0.992 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.040 10.434 3.382 1.00 0.00 C ATOM 0 H ILE A 34 -5.750 11.330 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.821 11.172 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.506 9.305 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.741 11.524 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.447 11.779 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.319 8.679 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.382 8.398 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.518 9.815 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.057 11.228 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.018 9.955 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.286 9.696 3.655 1.00 0.00 H new ATOM 507 N ASN A 35 -2.966 9.163 -2.193 1.00 0.00 N ATOM 508 CA ASN A 35 -3.085 8.151 -3.236 1.00 0.00 C ATOM 509 C ASN A 35 -2.217 6.937 -2.918 1.00 0.00 C ATOM 510 O ASN A 35 -0.996 6.979 -3.065 1.00 0.00 O ATOM 511 CB ASN A 35 -2.684 8.737 -4.592 1.00 0.00 C ATOM 512 CG ASN A 35 -3.423 8.084 -5.745 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.649 8.153 -5.829 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.677 7.445 -6.639 1.00 0.00 N ATOM 0 H ASN A 35 -2.013 9.485 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.126 7.830 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.885 9.808 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.611 8.613 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.118 6.985 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.663 7.414 -6.529 1.00 0.00 H new ATOM 521 N TRP A 36 -2.856 5.857 -2.483 1.00 0.00 N ATOM 522 CA TRP A 36 -2.143 4.631 -2.144 1.00 0.00 C ATOM 523 C TRP A 36 -1.781 3.848 -3.401 1.00 0.00 C ATOM 524 O TRP A 36 -2.607 3.677 -4.298 1.00 0.00 O ATOM 525 CB TRP A 36 -2.992 3.763 -1.214 1.00 0.00 C ATOM 526 CG TRP A 36 -2.916 4.182 0.223 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.866 4.863 0.930 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.831 3.949 1.127 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.437 5.067 2.219 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.191 4.515 2.366 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.590 3.316 1.012 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.355 4.467 3.478 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.239 3.269 2.117 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.146 3.841 3.337 1.00 0.00 C ATOM 0 H TRP A 36 -3.867 5.805 -2.357 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.221 4.906 -1.631 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.031 3.801 -1.542 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.668 2.726 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.815 5.193 0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.961 5.551 2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.284 2.872 0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.650 4.908 4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.200 2.783 2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.524 3.787 4.182 1.00 0.00 H new ATOM 545 N LEU A 37 -0.541 3.373 -3.460 1.00 0.00 N ATOM 546 CA LEU A 37 -0.070 2.606 -4.608 1.00 0.00 C ATOM 547 C LEU A 37 0.649 1.338 -4.158 1.00 0.00 C ATOM 548 O LEU A 37 1.052 1.219 -3.001 1.00 0.00 O ATOM 549 CB LEU A 37 0.866 3.459 -5.466 1.00 0.00 C ATOM 550 CG LEU A 37 0.232 4.671 -6.150 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.269 5.760 -6.376 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.412 4.263 -7.467 1.00 0.00 C ATOM 0 H LEU A 37 0.156 3.506 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.937 2.318 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.685 3.809 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.304 2.822 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.545 5.068 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.799 6.614 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.684 6.072 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.069 5.375 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.858 5.138 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.346 3.840 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.185 3.518 -7.279 1.00 0.00 H new ATOM 564 N ARG A 38 0.808 0.395 -5.081 1.00 0.00 N ATOM 565 CA ARG A 38 1.479 -0.863 -4.779 1.00 0.00 C ATOM 566 C ARG A 38 2.131 -1.445 -6.030 1.00 0.00 C ATOM 567 O ARG A 38 1.447 -1.812 -6.985 1.00 0.00 O ATOM 568 CB ARG A 38 0.485 -1.869 -4.194 1.00 0.00 C ATOM 569 CG ARG A 38 1.127 -3.175 -3.756 1.00 0.00 C ATOM 570 CD ARG A 38 0.222 -3.951 -2.813 1.00 0.00 C ATOM 571 NE ARG A 38 -0.745 -4.773 -3.535 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.406 -5.798 -4.309 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.870 -6.125 -4.460 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.344 -6.498 -4.934 1.00 0.00 N ATOM 0 H ARG A 38 0.481 0.479 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 38 2.258 -0.663 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.017 -1.416 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.283 -2.083 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.350 -3.784 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.076 -2.968 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.829 -4.587 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.308 -3.254 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.735 -4.548 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.594 -5.589 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.128 -6.912 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.327 -6.249 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.082 -7.285 -5.528 1.00 0.00 H new ATOM 588 N ASP A 39 3.457 -1.526 -6.017 1.00 0.00 N ATOM 589 CA ASP A 39 4.202 -2.064 -7.149 1.00 0.00 C ATOM 590 C ASP A 39 3.998 -1.202 -8.392 1.00 0.00 C ATOM 591 O ASP A 39 4.110 -1.683 -9.518 1.00 0.00 O ATOM 592 CB ASP A 39 3.769 -3.503 -7.435 1.00 0.00 C ATOM 593 CG ASP A 39 4.874 -4.325 -8.067 1.00 0.00 C ATOM 594 OD1 ASP A 39 6.058 -4.054 -7.773 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.556 -5.241 -8.854 1.00 0.00 O ATOM 0 H ASP A 39 4.038 -1.226 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 39 5.261 -2.056 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.455 -3.976 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.903 -3.494 -8.097 1.00 0.00 H new ATOM 600 N GLY A 40 3.698 0.076 -8.177 1.00 0.00 N ATOM 601 CA GLY A 40 3.483 0.984 -9.288 1.00 0.00 C ATOM 602 C GLY A 40 2.077 0.894 -9.846 1.00 0.00 C ATOM 603 O GLY A 40 1.884 0.871 -11.062 1.00 0.00 O ATOM 0 H GLY A 40 3.600 0.498 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.676 2.006 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.199 0.762 -10.079 1.00 0.00 H new ATOM 607 N VAL A 41 1.091 0.840 -8.957 1.00 0.00 N ATOM 608 CA VAL A 41 -0.306 0.751 -9.367 1.00 0.00 C ATOM 609 C VAL A 41 -1.240 1.126 -8.222 1.00 0.00 C ATOM 610 O VAL A 41 -0.966 0.824 -7.061 1.00 0.00 O ATOM 611 CB VAL A 41 -0.657 -0.666 -9.858 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.029 -1.561 -8.686 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.785 -0.612 -10.878 1.00 0.00 C ATOM 0 H VAL A 41 1.233 0.856 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.441 1.456 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 41 0.221 -1.091 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.274 -2.558 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.188 -1.625 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.892 -1.143 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.020 -1.622 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.668 -0.167 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.475 -0.008 -11.731 1.00 0.00 H new ATOM 623 N GLN A 42 -2.344 1.785 -8.559 1.00 0.00 N ATOM 624 CA GLN A 42 -3.319 2.202 -7.558 1.00 0.00 C ATOM 625 C GLN A 42 -3.706 1.035 -6.656 1.00 0.00 C ATOM 626 O GLN A 42 -4.051 -0.046 -7.134 1.00 0.00 O ATOM 627 CB GLN A 42 -4.566 2.772 -8.237 1.00 0.00 C ATOM 628 CG GLN A 42 -5.653 3.191 -7.260 1.00 0.00 C ATOM 629 CD GLN A 42 -5.513 4.633 -6.814 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.472 4.915 -6.041 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.332 5.484 -7.162 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.585 2.041 -9.516 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.862 2.977 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.279 3.634 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.971 2.025 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.628 3.052 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.622 2.540 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.118 5.222 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.225 6.451 -6.855 1.00 0.00 H new ATOM 640 N LEU A 43 -3.645 1.260 -5.348 1.00 0.00 N ATOM 641 CA LEU A 43 -3.989 0.227 -4.377 1.00 0.00 C ATOM 642 C LEU A 43 -5.502 0.106 -4.222 1.00 0.00 C ATOM 643 O LEU A 43 -6.236 1.070 -4.437 1.00 0.00 O ATOM 644 CB LEU A 43 -3.349 0.538 -3.023 1.00 0.00 C ATOM 645 CG LEU A 43 -3.536 -0.518 -1.933 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.888 -1.830 -2.345 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.962 -0.028 -0.612 1.00 0.00 C ATOM 0 H LEU A 43 -3.361 2.148 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.603 -0.724 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.280 0.689 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.756 1.482 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.604 -0.691 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.031 -2.570 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.346 -2.188 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.821 -1.674 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.104 -0.792 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.897 0.174 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.473 0.886 -0.310 1.00 0.00 H new ATOM 659 N ALA A 44 -5.960 -1.083 -3.845 1.00 0.00 N ATOM 660 CA ALA A 44 -7.384 -1.328 -3.657 1.00 0.00 C ATOM 661 C ALA A 44 -7.653 -2.002 -2.316 1.00 0.00 C ATOM 662 O ALA A 44 -6.782 -2.672 -1.763 1.00 0.00 O ATOM 663 CB ALA A 44 -7.928 -2.178 -4.795 1.00 0.00 C ATOM 0 H ALA A 44 -5.365 -1.892 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.896 -0.366 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.993 -2.353 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.779 -1.658 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.403 -3.133 -4.819 1.00 0.00 H new ATOM 669 N GLU A 45 -8.864 -1.818 -1.798 1.00 0.00 N ATOM 670 CA GLU A 45 -9.245 -2.407 -0.520 1.00 0.00 C ATOM 671 C GLU A 45 -10.088 -3.662 -0.730 1.00 0.00 C ATOM 672 O GLU A 45 -10.689 -3.849 -1.788 1.00 0.00 O ATOM 673 CB GLU A 45 -10.021 -1.393 0.323 1.00 0.00 C ATOM 674 CG GLU A 45 -9.610 0.048 0.072 1.00 0.00 C ATOM 675 CD GLU A 45 -10.668 1.041 0.512 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.798 0.608 0.820 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.366 2.253 0.548 1.00 0.00 O ATOM 0 H GLU A 45 -9.597 -1.266 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.334 -2.686 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.086 -1.500 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.877 -1.625 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.680 0.254 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.408 0.185 -0.990 1.00 0.00 H new ATOM 684 N SER A 46 -10.127 -4.518 0.286 1.00 0.00 N ATOM 685 CA SER A 46 -10.892 -5.757 0.213 1.00 0.00 C ATOM 686 C SER A 46 -11.300 -6.227 1.606 1.00 0.00 C ATOM 687 O SER A 46 -10.986 -5.583 2.606 1.00 0.00 O ATOM 688 CB SER A 46 -10.076 -6.845 -0.487 1.00 0.00 C ATOM 689 OG SER A 46 -9.025 -7.307 0.344 1.00 0.00 O ATOM 0 H SER A 46 -9.638 -4.376 1.170 1.00 0.00 H new ATOM 0 HA SER A 46 -11.796 -5.563 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.727 -7.678 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.664 -6.453 -1.417 1.00 0.00 H new ATOM 0 HG SER A 46 -8.519 -8.003 -0.125 1.00 0.00 H new ATOM 695 N ASN A 47 -12.000 -7.355 1.661 1.00 0.00 N ATOM 696 CA ASN A 47 -12.452 -7.913 2.931 1.00 0.00 C ATOM 697 C ASN A 47 -11.343 -7.852 3.977 1.00 0.00 C ATOM 698 O ASN A 47 -11.608 -7.695 5.169 1.00 0.00 O ATOM 699 CB ASN A 47 -12.911 -9.360 2.742 1.00 0.00 C ATOM 700 CG ASN A 47 -13.619 -9.906 3.967 1.00 0.00 C ATOM 701 OD1 ASN A 47 -13.119 -9.799 5.086 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.790 -10.497 3.758 1.00 0.00 N ATOM 0 H ASN A 47 -12.267 -7.901 0.842 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.293 -7.315 3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.580 -9.417 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.048 -9.986 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.313 -10.885 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.166 -10.563 2.812 1.00 0.00 H new ATOM 709 N ARG A 48 -10.100 -7.977 3.522 1.00 0.00 N ATOM 710 CA ARG A 48 -8.951 -7.937 4.418 1.00 0.00 C ATOM 711 C ARG A 48 -8.285 -6.564 4.387 1.00 0.00 C ATOM 712 O ARG A 48 -8.100 -5.928 5.425 1.00 0.00 O ATOM 713 CB ARG A 48 -7.938 -9.016 4.031 1.00 0.00 C ATOM 714 CG ARG A 48 -8.510 -10.424 4.055 1.00 0.00 C ATOM 715 CD ARG A 48 -7.433 -11.458 4.345 1.00 0.00 C ATOM 716 NE ARG A 48 -7.746 -12.756 3.753 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.687 -13.569 4.222 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.402 -13.219 5.282 1.00 0.00 N ATOM 719 NH2 ARG A 48 -8.914 -14.734 3.629 1.00 0.00 N ATOM 0 H ARG A 48 -9.864 -8.107 2.538 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.305 -8.127 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.558 -8.804 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.089 -8.966 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.291 -10.488 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.978 -10.644 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.477 -11.104 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.319 -11.570 5.423 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.214 -13.055 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.231 -12.324 5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.124 -13.845 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.366 -15.006 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.636 -15.358 3.989 1.00 0.00 H new ATOM 733 N THR A 49 -7.925 -6.114 3.189 1.00 0.00 N ATOM 734 CA THR A 49 -7.279 -4.818 3.022 1.00 0.00 C ATOM 735 C THR A 49 -8.214 -3.682 3.418 1.00 0.00 C ATOM 736 O THR A 49 -9.419 -3.743 3.173 1.00 0.00 O ATOM 737 CB THR A 49 -6.816 -4.605 1.569 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.007 -5.708 1.145 1.00 0.00 O ATOM 739 CG2 THR A 49 -6.027 -3.311 1.437 1.00 0.00 C ATOM 0 H THR A 49 -8.070 -6.628 2.320 1.00 0.00 H new ATOM 0 HA THR A 49 -6.408 -4.812 3.678 1.00 0.00 H new ATOM 0 HB THR A 49 -7.701 -4.540 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.718 -5.565 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.710 -3.182 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.655 -2.470 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.150 -3.352 2.082 1.00 0.00 H new ATOM 747 N ARG A 50 -7.652 -2.645 4.030 1.00 0.00 N ATOM 748 CA ARG A 50 -8.436 -1.494 4.460 1.00 0.00 C ATOM 749 C ARG A 50 -7.622 -0.208 4.348 1.00 0.00 C ATOM 750 O ARG A 50 -6.672 0.003 5.102 1.00 0.00 O ATOM 751 CB ARG A 50 -8.913 -1.684 5.901 1.00 0.00 C ATOM 752 CG ARG A 50 -9.599 -0.459 6.482 1.00 0.00 C ATOM 753 CD ARG A 50 -11.098 -0.484 6.223 1.00 0.00 C ATOM 754 NE ARG A 50 -11.797 0.571 6.953 1.00 0.00 N ATOM 755 CZ ARG A 50 -11.722 1.858 6.634 1.00 0.00 C ATOM 756 NH1 ARG A 50 -10.984 2.248 5.604 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.388 2.759 7.346 1.00 0.00 N ATOM 0 H ARG A 50 -6.656 -2.578 4.239 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.303 -1.413 3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.602 -2.528 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.059 -1.942 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.415 -0.412 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.168 0.442 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.283 -0.370 5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.500 -1.454 6.514 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.374 0.305 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.472 1.559 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.929 3.237 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.958 2.463 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.330 3.747 7.100 1.00 0.00 H new ATOM 771 N ILE A 51 -8.001 0.646 3.404 1.00 0.00 N ATOM 772 CA ILE A 51 -7.306 1.910 3.194 1.00 0.00 C ATOM 773 C ILE A 51 -8.071 3.069 3.826 1.00 0.00 C ATOM 774 O ILE A 51 -9.065 3.544 3.277 1.00 0.00 O ATOM 775 CB ILE A 51 -7.104 2.200 1.695 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.387 1.030 1.019 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.320 3.490 1.506 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.467 1.063 -0.491 1.00 0.00 C ATOM 0 H ILE A 51 -8.786 0.486 2.772 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.331 1.817 3.672 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.082 2.321 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.339 1.034 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.817 0.095 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.185 3.681 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.867 4.318 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.345 3.396 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.937 0.204 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.511 1.028 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.010 1.981 -0.860 1.00 0.00 H new ATOM 790 N THR A 52 -7.599 3.521 4.984 1.00 0.00 N ATOM 791 CA THR A 52 -8.237 4.624 5.691 1.00 0.00 C ATOM 792 C THR A 52 -7.742 5.969 5.172 1.00 0.00 C ATOM 793 O THR A 52 -7.943 7.003 5.807 1.00 0.00 O ATOM 794 CB THR A 52 -7.977 4.545 7.207 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.584 4.322 7.455 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.794 3.428 7.838 1.00 0.00 C ATOM 0 H THR A 52 -6.777 3.140 5.452 1.00 0.00 H new ATOM 0 HA THR A 52 -9.308 4.539 5.509 1.00 0.00 H new ATOM 0 HB THR A 52 -8.278 5.492 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.314 3.467 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.594 3.391 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.855 3.616 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.519 2.476 7.385 1.00 0.00 H new ATOM 804 N GLY A 53 -7.093 5.948 4.011 1.00 0.00 N ATOM 805 CA GLY A 53 -6.580 7.173 3.426 1.00 0.00 C ATOM 806 C GLY A 53 -5.087 7.332 3.629 1.00 0.00 C ATOM 807 O GLY A 53 -4.330 7.435 2.664 1.00 0.00 O ATOM 0 H GLY A 53 -6.914 5.105 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.801 7.183 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.096 8.026 3.866 1.00 0.00 H new ATOM 811 N GLU A 54 -4.661 7.352 4.889 1.00 0.00 N ATOM 812 CA GLU A 54 -3.248 7.502 5.215 1.00 0.00 C ATOM 813 C GLU A 54 -2.737 6.290 5.988 1.00 0.00 C ATOM 814 O GLU A 54 -1.575 6.244 6.390 1.00 0.00 O ATOM 815 CB GLU A 54 -3.023 8.775 6.033 1.00 0.00 C ATOM 816 CG GLU A 54 -3.210 8.579 7.528 1.00 0.00 C ATOM 817 CD GLU A 54 -3.517 9.875 8.254 1.00 0.00 C ATOM 818 OE1 GLU A 54 -2.613 10.733 8.341 1.00 0.00 O ATOM 819 OE2 GLU A 54 -4.659 10.031 8.734 1.00 0.00 O ATOM 0 H GLU A 54 -5.274 7.266 5.700 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.691 7.576 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.014 9.143 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.712 9.546 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.021 7.871 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.307 8.137 7.948 1.00 0.00 H new ATOM 826 N GLU A 55 -3.614 5.312 6.192 1.00 0.00 N ATOM 827 CA GLU A 55 -3.251 4.101 6.918 1.00 0.00 C ATOM 828 C GLU A 55 -3.872 2.869 6.265 1.00 0.00 C ATOM 829 O GLU A 55 -5.085 2.803 6.066 1.00 0.00 O ATOM 830 CB GLU A 55 -3.701 4.200 8.377 1.00 0.00 C ATOM 831 CG GLU A 55 -2.655 4.809 9.296 1.00 0.00 C ATOM 832 CD GLU A 55 -3.070 4.776 10.754 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.632 3.748 11.189 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.833 5.778 11.461 1.00 0.00 O ATOM 0 H GLU A 55 -4.580 5.335 5.865 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.166 4.000 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.610 4.799 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.955 3.204 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.715 4.271 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.471 5.841 8.998 1.00 0.00 H new ATOM 841 N VAL A 56 -3.031 1.894 5.934 1.00 0.00 N ATOM 842 CA VAL A 56 -3.496 0.664 5.304 1.00 0.00 C ATOM 843 C VAL A 56 -3.446 -0.505 6.281 1.00 0.00 C ATOM 844 O VAL A 56 -2.471 -0.676 7.011 1.00 0.00 O ATOM 845 CB VAL A 56 -2.654 0.317 4.062 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.027 -1.059 3.532 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.831 1.378 2.986 1.00 0.00 C ATOM 0 H VAL A 56 -2.024 1.932 6.092 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.528 0.835 4.998 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.603 0.296 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.422 -1.287 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.845 -1.808 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.082 -1.070 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.229 1.117 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.881 1.433 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.510 2.345 3.373 1.00 0.00 H new ATOM 857 N GLU A 57 -4.506 -1.308 6.288 1.00 0.00 N ATOM 858 CA GLU A 57 -4.583 -2.462 7.176 1.00 0.00 C ATOM 859 C GLU A 57 -5.152 -3.675 6.444 1.00 0.00 C ATOM 860 O GLU A 57 -6.302 -3.666 6.005 1.00 0.00 O ATOM 861 CB GLU A 57 -5.448 -2.138 8.396 1.00 0.00 C ATOM 862 CG GLU A 57 -5.688 -3.331 9.306 1.00 0.00 C ATOM 863 CD GLU A 57 -6.752 -3.061 10.353 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.582 -2.108 11.141 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.756 -3.804 10.382 1.00 0.00 O ATOM 0 H GLU A 57 -5.322 -1.181 5.689 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.573 -2.700 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.969 -1.344 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.409 -1.751 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.986 -4.189 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.755 -3.599 9.802 1.00 0.00 H new ATOM 872 N VAL A 58 -4.337 -4.717 6.317 1.00 0.00 N ATOM 873 CA VAL A 58 -4.757 -5.938 5.639 1.00 0.00 C ATOM 874 C VAL A 58 -4.722 -7.132 6.586 1.00 0.00 C ATOM 875 O VAL A 58 -3.664 -7.502 7.094 1.00 0.00 O ATOM 876 CB VAL A 58 -3.866 -6.237 4.419 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.485 -7.330 3.561 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.637 -4.974 3.604 1.00 0.00 C ATOM 0 H VAL A 58 -3.382 -4.740 6.675 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.781 -5.777 5.301 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.899 -6.592 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.842 -7.528 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.592 -8.240 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.466 -7.007 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.005 -5.204 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.595 -4.587 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.147 -4.224 4.225 1.00 0.00 H new ATOM 888 N GLN A 59 -5.885 -7.731 6.818 1.00 0.00 N ATOM 889 CA GLN A 59 -5.987 -8.884 7.704 1.00 0.00 C ATOM 890 C GLN A 59 -5.537 -10.157 6.995 1.00 0.00 C ATOM 891 O GLN A 59 -5.615 -10.258 5.771 1.00 0.00 O ATOM 892 CB GLN A 59 -7.424 -9.045 8.203 1.00 0.00 C ATOM 893 CG GLN A 59 -7.920 -7.863 9.021 1.00 0.00 C ATOM 894 CD GLN A 59 -9.291 -8.104 9.621 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.653 -9.237 9.938 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.063 -7.035 9.781 1.00 0.00 N ATOM 0 H GLN A 59 -6.770 -7.437 6.405 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.330 -8.714 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.084 -9.186 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.490 -9.949 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.209 -7.655 9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.955 -6.977 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.723 -6.114 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.996 -7.135 10.181 1.00 0.00 H new ATOM 905 N ASP A 60 -5.066 -11.126 7.773 1.00 0.00 N ATOM 906 CA ASP A 60 -4.604 -12.393 7.219 1.00 0.00 C ATOM 907 C ASP A 60 -3.705 -12.162 6.008 1.00 0.00 C ATOM 908 O ASP A 60 -3.804 -12.869 5.005 1.00 0.00 O ATOM 909 CB ASP A 60 -5.795 -13.268 6.826 1.00 0.00 C ATOM 910 CG ASP A 60 -5.495 -14.748 6.955 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.711 -15.268 6.134 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.044 -15.387 7.877 1.00 0.00 O ATOM 0 H ASP A 60 -4.994 -11.058 8.788 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.024 -12.906 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.649 -13.017 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.081 -13.047 5.798 1.00 0.00 H new ATOM 917 N SER A 61 -2.829 -11.168 6.109 1.00 0.00 N ATOM 918 CA SER A 61 -1.916 -10.840 5.020 1.00 0.00 C ATOM 919 C SER A 61 -1.410 -12.106 4.336 1.00 0.00 C ATOM 920 O SER A 61 -1.435 -13.192 4.916 1.00 0.00 O ATOM 921 CB SER A 61 -0.734 -10.023 5.546 1.00 0.00 C ATOM 922 OG SER A 61 0.125 -10.823 6.341 1.00 0.00 O ATOM 0 H SER A 61 -2.732 -10.576 6.934 1.00 0.00 H new ATOM 0 HA SER A 61 -2.462 -10.245 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.175 -9.605 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.102 -9.183 6.135 1.00 0.00 H new ATOM 0 HG SER A 61 0.873 -10.279 6.664 1.00 0.00 H new ATOM 928 N VAL A 62 -0.951 -11.958 3.097 1.00 0.00 N ATOM 929 CA VAL A 62 -0.437 -13.089 2.333 1.00 0.00 C ATOM 930 C VAL A 62 0.766 -12.681 1.490 1.00 0.00 C ATOM 931 O VAL A 62 1.004 -11.501 1.233 1.00 0.00 O ATOM 932 CB VAL A 62 -1.520 -13.680 1.410 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.263 -14.806 2.111 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.484 -12.594 0.957 1.00 0.00 C ATOM 0 H VAL A 62 -0.925 -11.067 2.601 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.131 -13.847 3.055 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.034 -14.094 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.024 -15.211 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.560 -15.594 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.739 -14.422 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.242 -13.029 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.965 -12.149 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.936 -11.825 0.412 1.00 0.00 H new ATOM 944 N PRO A 63 1.545 -13.680 1.049 1.00 0.00 N ATOM 945 CA PRO A 63 2.737 -13.450 0.227 1.00 0.00 C ATOM 946 C PRO A 63 2.390 -12.969 -1.177 1.00 0.00 C ATOM 947 O PRO A 63 3.273 -12.755 -2.007 1.00 0.00 O ATOM 948 CB PRO A 63 3.401 -14.828 0.172 1.00 0.00 C ATOM 949 CG PRO A 63 2.287 -15.794 0.389 1.00 0.00 C ATOM 950 CD PRO A 63 1.322 -15.110 1.317 1.00 0.00 C ATOM 0 HA PRO A 63 3.375 -12.671 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.888 -14.995 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.168 -14.929 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.805 -16.053 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.655 -16.723 0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.292 -15.401 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.522 -15.359 2.359 1.00 0.00 H new ATOM 958 N ALA A 64 1.097 -12.801 -1.437 1.00 0.00 N ATOM 959 CA ALA A 64 0.633 -12.343 -2.741 1.00 0.00 C ATOM 960 C ALA A 64 0.282 -10.860 -2.709 1.00 0.00 C ATOM 961 O ALA A 64 0.255 -10.195 -3.745 1.00 0.00 O ATOM 962 CB ALA A 64 -0.567 -13.162 -3.192 1.00 0.00 C ATOM 0 H ALA A 64 0.353 -12.975 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 64 1.443 -12.482 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.903 -12.809 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.284 -14.212 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.375 -13.052 -2.469 1.00 0.00 H new ATOM 968 N ASP A 65 0.011 -10.347 -1.513 1.00 0.00 N ATOM 969 CA ASP A 65 -0.339 -8.941 -1.346 1.00 0.00 C ATOM 970 C ASP A 65 0.909 -8.094 -1.117 1.00 0.00 C ATOM 971 O ASP A 65 0.901 -6.884 -1.347 1.00 0.00 O ATOM 972 CB ASP A 65 -1.308 -8.770 -0.175 1.00 0.00 C ATOM 973 CG ASP A 65 -2.582 -9.571 -0.357 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.914 -9.902 -1.515 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.248 -9.866 0.657 1.00 0.00 O ATOM 0 H ASP A 65 0.027 -10.884 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.824 -8.602 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.817 -9.079 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.558 -7.715 -0.065 1.00 0.00 H new ATOM 980 N SER A 66 1.980 -8.737 -0.663 1.00 0.00 N ATOM 981 CA SER A 66 3.234 -8.042 -0.398 1.00 0.00 C ATOM 982 C SER A 66 3.668 -7.223 -1.610 1.00 0.00 C ATOM 983 O SER A 66 3.056 -7.297 -2.674 1.00 0.00 O ATOM 984 CB SER A 66 4.328 -9.044 -0.026 1.00 0.00 C ATOM 985 OG SER A 66 4.700 -9.832 -1.144 1.00 0.00 O ATOM 0 H SER A 66 2.004 -9.738 -0.471 1.00 0.00 H new ATOM 0 HA SER A 66 3.074 -7.362 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.200 -8.511 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.975 -9.691 0.777 1.00 0.00 H new ATOM 0 HG SER A 66 5.402 -10.463 -0.880 1.00 0.00 H new ATOM 991 N GLY A 67 4.731 -6.442 -1.439 1.00 0.00 N ATOM 992 CA GLY A 67 5.229 -5.621 -2.527 1.00 0.00 C ATOM 993 C GLY A 67 5.796 -4.301 -2.043 1.00 0.00 C ATOM 994 O GLY A 67 6.265 -4.196 -0.909 1.00 0.00 O ATOM 0 H GLY A 67 5.255 -6.364 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.001 -6.168 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.421 -5.429 -3.233 1.00 0.00 H new ATOM 998 N LEU A 68 5.755 -3.290 -2.904 1.00 0.00 N ATOM 999 CA LEU A 68 6.270 -1.970 -2.559 1.00 0.00 C ATOM 1000 C LEU A 68 5.164 -0.921 -2.618 1.00 0.00 C ATOM 1001 O LEU A 68 4.825 -0.421 -3.690 1.00 0.00 O ATOM 1002 CB LEU A 68 7.407 -1.581 -3.506 1.00 0.00 C ATOM 1003 CG LEU A 68 8.055 -0.219 -3.253 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.827 -0.230 -1.943 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.968 0.160 -4.410 1.00 0.00 C ATOM 0 H LEU A 68 5.370 -3.359 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 68 6.652 -2.012 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.181 -2.346 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.024 -1.595 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 68 7.266 0.529 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.281 0.747 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.147 -0.456 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.607 -0.990 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.421 1.132 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.751 -0.590 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.387 0.210 -5.331 1.00 0.00 H new ATOM 1017 N TYR A 69 4.605 -0.592 -1.458 1.00 0.00 N ATOM 1018 CA TYR A 69 3.537 0.396 -1.377 1.00 0.00 C ATOM 1019 C TYR A 69 4.099 1.813 -1.452 1.00 0.00 C ATOM 1020 O TYR A 69 5.207 2.078 -0.987 1.00 0.00 O ATOM 1021 CB TYR A 69 2.745 0.218 -0.081 1.00 0.00 C ATOM 1022 CG TYR A 69 2.019 -1.106 0.007 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.715 -2.291 0.204 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.635 -1.170 -0.106 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.056 -3.502 0.284 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.033 -2.376 -0.025 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.682 -3.540 0.169 1.00 0.00 C ATOM 1028 OH TYR A 69 0.021 -4.744 0.250 1.00 0.00 O ATOM 0 H TYR A 69 4.875 -0.996 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 69 2.870 0.243 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.425 0.307 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.020 1.027 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.791 -2.265 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.072 -0.261 -0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.614 -4.414 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.109 -2.408 -0.113 1.00 0.00 H new ATOM 0 HH TYR A 69 0.520 -5.425 -0.247 1.00 0.00 H new ATOM 1038 N ALA A 70 3.325 2.719 -2.040 1.00 0.00 N ATOM 1039 CA ALA A 70 3.742 4.109 -2.173 1.00 0.00 C ATOM 1040 C ALA A 70 2.550 5.054 -2.067 1.00 0.00 C ATOM 1041 O ALA A 70 1.669 5.058 -2.928 1.00 0.00 O ATOM 1042 CB ALA A 70 4.467 4.318 -3.495 1.00 0.00 C ATOM 0 H ALA A 70 2.406 2.515 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 70 4.426 4.336 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.773 5.361 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.348 3.677 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.800 4.066 -4.320 1.00 0.00 H new ATOM 1048 N CYS A 71 2.526 5.853 -1.006 1.00 0.00 N ATOM 1049 CA CYS A 71 1.441 6.801 -0.786 1.00 0.00 C ATOM 1050 C CYS A 71 1.805 8.180 -1.328 1.00 0.00 C ATOM 1051 O CYS A 71 2.846 8.739 -0.984 1.00 0.00 O ATOM 1052 CB CYS A 71 1.115 6.897 0.706 1.00 0.00 C ATOM 1053 SG CYS A 71 2.191 8.040 1.630 1.00 0.00 S ATOM 0 H CYS A 71 3.247 5.863 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 71 0.562 6.440 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.079 7.217 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.193 5.904 1.149 1.00 0.00 H new ATOM 1058 N VAL A 72 0.940 8.723 -2.179 1.00 0.00 N ATOM 1059 CA VAL A 72 1.169 10.036 -2.768 1.00 0.00 C ATOM 1060 C VAL A 72 0.122 11.040 -2.298 1.00 0.00 C ATOM 1061 O VAL A 72 -1.070 10.881 -2.564 1.00 0.00 O ATOM 1062 CB VAL A 72 1.149 9.972 -4.307 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.634 11.285 -4.903 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.993 8.808 -4.803 1.00 0.00 C ATOM 0 H VAL A 72 0.074 8.273 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 72 2.155 10.363 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 72 0.121 9.811 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.613 11.221 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.984 12.096 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.654 11.481 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.967 8.778 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.022 8.936 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.595 7.875 -4.405 1.00 0.00 H new ATOM 1074 N THR A 73 0.574 12.075 -1.598 1.00 0.00 N ATOM 1075 CA THR A 73 -0.323 13.105 -1.090 1.00 0.00 C ATOM 1076 C THR A 73 -0.300 14.342 -1.980 1.00 0.00 C ATOM 1077 O THR A 73 0.766 14.841 -2.339 1.00 0.00 O ATOM 1078 CB THR A 73 0.049 13.515 0.348 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.259 14.280 0.342 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.222 12.289 1.232 1.00 0.00 C ATOM 0 H THR A 73 1.557 12.222 -1.370 1.00 0.00 H new ATOM 0 HA THR A 73 -1.326 12.678 -1.091 1.00 0.00 H new ATOM 0 HB THR A 73 -0.762 14.122 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.386 14.685 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.484 12.603 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.710 11.725 1.258 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.016 11.660 0.830 1.00 0.00 H new ATOM 1088 N SER A 74 -1.484 14.833 -2.334 1.00 0.00 N ATOM 1089 CA SER A 74 -1.600 16.010 -3.186 1.00 0.00 C ATOM 1090 C SER A 74 -1.755 17.275 -2.346 1.00 0.00 C ATOM 1091 O SER A 74 -2.697 17.402 -1.564 1.00 0.00 O ATOM 1092 CB SER A 74 -2.792 15.865 -4.134 1.00 0.00 C ATOM 1093 OG SER A 74 -2.895 16.983 -4.999 1.00 0.00 O ATOM 0 H SER A 74 -2.376 14.433 -2.044 1.00 0.00 H new ATOM 0 HA SER A 74 -0.686 16.094 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.683 14.954 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.710 15.763 -3.556 1.00 0.00 H new ATOM 0 HG SER A 74 -3.663 16.865 -5.596 1.00 0.00 H new ATOM 1099 N SER A 75 -0.823 18.208 -2.515 1.00 0.00 N ATOM 1100 CA SER A 75 -0.853 19.461 -1.771 1.00 0.00 C ATOM 1101 C SER A 75 -0.689 20.654 -2.709 1.00 0.00 C ATOM 1102 O SER A 75 -0.091 20.556 -3.780 1.00 0.00 O ATOM 1103 CB SER A 75 0.250 19.476 -0.712 1.00 0.00 C ATOM 1104 OG SER A 75 1.531 19.570 -1.310 1.00 0.00 O ATOM 0 H SER A 75 -0.038 18.119 -3.161 1.00 0.00 H new ATOM 0 HA SER A 75 -1.822 19.539 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.098 20.318 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.192 18.569 -0.110 1.00 0.00 H new ATOM 0 HG SER A 75 1.460 19.374 -2.268 1.00 0.00 H new ATOM 1110 N PRO A 76 -1.234 21.808 -2.297 1.00 0.00 N ATOM 1111 CA PRO A 76 -1.162 23.043 -3.084 1.00 0.00 C ATOM 1112 C PRO A 76 0.250 23.615 -3.137 1.00 0.00 C ATOM 1113 O PRO A 76 0.480 24.674 -3.721 1.00 0.00 O ATOM 1114 CB PRO A 76 -2.097 23.996 -2.336 1.00 0.00 C ATOM 1115 CG PRO A 76 -2.111 23.491 -0.934 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.962 21.997 -1.031 1.00 0.00 C ATOM 0 HA PRO A 76 -1.442 22.879 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.735 25.023 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.097 23.990 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.298 23.928 -0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.041 23.759 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.407 21.593 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.930 21.497 -1.046 1.00 0.00 H new ATOM 1124 N SER A 77 1.194 22.907 -2.525 1.00 0.00 N ATOM 1125 CA SER A 77 2.584 23.347 -2.499 1.00 0.00 C ATOM 1126 C SER A 77 3.498 22.295 -3.121 1.00 0.00 C ATOM 1127 O SER A 77 4.705 22.498 -3.242 1.00 0.00 O ATOM 1128 CB SER A 77 3.024 23.636 -1.063 1.00 0.00 C ATOM 1129 OG SER A 77 2.376 24.789 -0.554 1.00 0.00 O ATOM 0 H SER A 77 1.021 22.026 -2.040 1.00 0.00 H new ATOM 0 HA SER A 77 2.660 24.263 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.797 22.778 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.104 23.778 -1.032 1.00 0.00 H new ATOM 0 HG SER A 77 2.673 24.952 0.366 1.00 0.00 H new ATOM 1135 N GLY A 78 2.912 21.167 -3.513 1.00 0.00 N ATOM 1136 CA GLY A 78 3.686 20.099 -4.117 1.00 0.00 C ATOM 1137 C GLY A 78 3.046 18.739 -3.926 1.00 0.00 C ATOM 1138 O GLY A 78 1.825 18.630 -3.813 1.00 0.00 O ATOM 0 H GLY A 78 1.914 20.974 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.801 20.296 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.686 20.090 -3.684 1.00 0.00 H new ATOM 1142 N SER A 79 3.871 17.698 -3.891 1.00 0.00 N ATOM 1143 CA SER A 79 3.378 16.336 -3.717 1.00 0.00 C ATOM 1144 C SER A 79 4.454 15.441 -3.112 1.00 0.00 C ATOM 1145 O SER A 79 5.548 15.308 -3.661 1.00 0.00 O ATOM 1146 CB SER A 79 2.918 15.763 -5.059 1.00 0.00 C ATOM 1147 OG SER A 79 3.746 16.214 -6.117 1.00 0.00 O ATOM 0 H SER A 79 4.884 17.771 -3.981 1.00 0.00 H new ATOM 0 HA SER A 79 2.530 16.368 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.936 14.674 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.886 16.058 -5.249 1.00 0.00 H new ATOM 0 HG SER A 79 3.432 15.832 -6.963 1.00 0.00 H new ATOM 1153 N ASP A 80 4.136 14.829 -1.976 1.00 0.00 N ATOM 1154 CA ASP A 80 5.074 13.945 -1.295 1.00 0.00 C ATOM 1155 C ASP A 80 4.799 12.486 -1.646 1.00 0.00 C ATOM 1156 O ASP A 80 3.746 12.155 -2.191 1.00 0.00 O ATOM 1157 CB ASP A 80 4.987 14.143 0.219 1.00 0.00 C ATOM 1158 CG ASP A 80 6.314 13.906 0.912 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.152 14.833 0.922 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.516 12.794 1.444 1.00 0.00 O ATOM 0 H ASP A 80 3.235 14.929 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 80 6.080 14.197 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.646 15.156 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.240 13.463 0.629 1.00 0.00 H new ATOM 1165 N THR A 81 5.755 11.617 -1.332 1.00 0.00 N ATOM 1166 CA THR A 81 5.618 10.194 -1.616 1.00 0.00 C ATOM 1167 C THR A 81 6.333 9.352 -0.566 1.00 0.00 C ATOM 1168 O THR A 81 7.512 9.565 -0.281 1.00 0.00 O ATOM 1169 CB THR A 81 6.176 9.843 -3.008 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.712 10.791 -3.975 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.756 8.441 -3.421 1.00 0.00 C ATOM 0 H THR A 81 6.633 11.874 -0.881 1.00 0.00 H new ATOM 0 HA THR A 81 4.552 9.968 -1.593 1.00 0.00 H new ATOM 0 HB THR A 81 7.264 9.879 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.072 10.562 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.162 8.215 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.137 7.719 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.668 8.382 -3.454 1.00 0.00 H new ATOM 1179 N THR A 82 5.614 8.393 0.008 1.00 0.00 N ATOM 1180 CA THR A 82 6.180 7.519 1.027 1.00 0.00 C ATOM 1181 C THR A 82 6.108 6.057 0.600 1.00 0.00 C ATOM 1182 O THR A 82 5.023 5.516 0.386 1.00 0.00 O ATOM 1183 CB THR A 82 5.454 7.684 2.376 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.092 9.055 2.573 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.334 7.216 3.525 1.00 0.00 C ATOM 0 H THR A 82 4.637 8.202 -0.216 1.00 0.00 H new ATOM 0 HA THR A 82 7.224 7.809 1.147 1.00 0.00 H new ATOM 0 HB THR A 82 4.553 7.070 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.144 9.177 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.800 7.342 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.583 6.164 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.250 7.806 3.545 1.00 0.00 H new ATOM 1193 N TYR A 83 7.269 5.424 0.477 1.00 0.00 N ATOM 1194 CA TYR A 83 7.337 4.024 0.073 1.00 0.00 C ATOM 1195 C TYR A 83 7.315 3.104 1.290 1.00 0.00 C ATOM 1196 O TYR A 83 7.620 3.524 2.406 1.00 0.00 O ATOM 1197 CB TYR A 83 8.602 3.770 -0.749 1.00 0.00 C ATOM 1198 CG TYR A 83 8.582 4.430 -2.110 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.912 5.771 -2.258 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.235 3.711 -3.247 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.894 6.378 -3.499 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.216 4.309 -4.492 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.546 5.643 -4.613 1.00 0.00 C ATOM 1204 OH TYR A 83 8.529 6.243 -5.851 1.00 0.00 O ATOM 0 H TYR A 83 8.176 5.857 0.651 1.00 0.00 H new ATOM 0 HA TYR A 83 6.463 3.806 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.466 4.132 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.732 2.695 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.187 6.349 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.976 2.667 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.151 7.422 -3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.944 3.735 -5.366 1.00 0.00 H new ATOM 0 HH TYR A 83 8.264 5.587 -6.529 1.00 0.00 H new ATOM 1214 N PHE A 84 6.952 1.846 1.066 1.00 0.00 N ATOM 1215 CA PHE A 84 6.888 0.865 2.142 1.00 0.00 C ATOM 1216 C PHE A 84 7.152 -0.542 1.613 1.00 0.00 C ATOM 1217 O PHE A 84 6.305 -1.134 0.945 1.00 0.00 O ATOM 1218 CB PHE A 84 5.521 0.916 2.828 1.00 0.00 C ATOM 1219 CG PHE A 84 5.035 2.312 3.093 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.319 3.005 2.130 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.294 2.931 4.305 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.871 4.290 2.372 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.849 4.216 4.552 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.135 4.896 3.584 1.00 0.00 C ATOM 0 H PHE A 84 6.697 1.482 0.148 1.00 0.00 H new ATOM 0 HA PHE A 84 7.661 1.111 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.791 0.398 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.577 0.374 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.109 2.536 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.850 2.403 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.315 4.820 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.059 4.688 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.784 5.899 3.775 1.00 0.00 H new ATOM 1234 N SER A 85 8.334 -1.069 1.915 1.00 0.00 N ATOM 1235 CA SER A 85 8.713 -2.404 1.467 1.00 0.00 C ATOM 1236 C SER A 85 8.094 -3.474 2.362 1.00 0.00 C ATOM 1237 O SER A 85 8.560 -3.712 3.476 1.00 0.00 O ATOM 1238 CB SER A 85 10.236 -2.549 1.457 1.00 0.00 C ATOM 1239 OG SER A 85 10.622 -3.890 1.706 1.00 0.00 O ATOM 0 H SER A 85 9.046 -0.592 2.468 1.00 0.00 H new ATOM 0 HA SER A 85 8.336 -2.541 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.629 -2.227 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.672 -1.895 2.213 1.00 0.00 H new ATOM 0 HG SER A 85 11.600 -3.957 1.693 1.00 0.00 H new ATOM 1245 N VAL A 86 7.042 -4.117 1.865 1.00 0.00 N ATOM 1246 CA VAL A 86 6.360 -5.162 2.618 1.00 0.00 C ATOM 1247 C VAL A 86 6.762 -6.547 2.123 1.00 0.00 C ATOM 1248 O VAL A 86 7.022 -6.742 0.937 1.00 0.00 O ATOM 1249 CB VAL A 86 4.829 -5.018 2.518 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.141 -6.297 2.969 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.352 -3.828 3.337 1.00 0.00 C ATOM 0 H VAL A 86 6.644 -3.932 0.944 1.00 0.00 H new ATOM 0 HA VAL A 86 6.661 -5.049 3.660 1.00 0.00 H new ATOM 0 HB VAL A 86 4.565 -4.842 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.061 -6.176 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.460 -7.125 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.409 -6.509 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.269 -3.741 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.627 -3.972 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.819 -2.917 2.961 1.00 0.00 H new ATOM 1261 N ASN A 87 6.810 -7.506 3.042 1.00 0.00 N ATOM 1262 CA ASN A 87 7.181 -8.875 2.700 1.00 0.00 C ATOM 1263 C ASN A 87 6.437 -9.876 3.578 1.00 0.00 C ATOM 1264 O ASN A 87 6.742 -10.028 4.761 1.00 0.00 O ATOM 1265 CB ASN A 87 8.691 -9.069 2.852 1.00 0.00 C ATOM 1266 CG ASN A 87 9.244 -10.089 1.876 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.651 -9.746 0.766 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.260 -11.352 2.286 1.00 0.00 N ATOM 0 H ASN A 87 6.597 -7.361 4.029 1.00 0.00 H new ATOM 0 HA ASN A 87 6.901 -9.052 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.194 -8.114 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.913 -9.387 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.620 -12.083 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.913 -11.591 3.215 1.00 0.00 H new ATOM 1275 N VAL A 88 5.458 -10.557 2.990 1.00 0.00 N ATOM 1276 CA VAL A 88 4.671 -11.546 3.718 1.00 0.00 C ATOM 1277 C VAL A 88 5.138 -12.962 3.401 1.00 0.00 C ATOM 1278 O VAL A 88 5.096 -13.398 2.251 1.00 0.00 O ATOM 1279 CB VAL A 88 3.172 -11.425 3.385 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.354 -12.366 4.256 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.704 -9.987 3.553 1.00 0.00 C ATOM 0 H VAL A 88 5.191 -10.442 2.012 1.00 0.00 H new ATOM 0 HA VAL A 88 4.817 -11.348 4.780 1.00 0.00 H new ATOM 0 HB VAL A 88 3.024 -11.712 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.298 -12.267 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.673 -13.393 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.504 -12.113 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.643 -9.919 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.865 -9.670 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.269 -9.340 2.882 1.00 0.00 H new ATOM 1291 N SER A 89 5.583 -13.676 4.430 1.00 0.00 N ATOM 1292 CA SER A 89 6.062 -15.043 4.261 1.00 0.00 C ATOM 1293 C SER A 89 6.122 -15.767 5.603 1.00 0.00 C ATOM 1294 O SER A 89 6.548 -15.199 6.609 1.00 0.00 O ATOM 1295 CB SER A 89 7.444 -15.045 3.606 1.00 0.00 C ATOM 1296 OG SER A 89 7.736 -16.308 3.033 1.00 0.00 O ATOM 0 H SER A 89 5.622 -13.331 5.389 1.00 0.00 H new ATOM 0 HA SER A 89 5.361 -15.570 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.486 -14.275 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.202 -14.795 4.348 1.00 0.00 H new ATOM 0 HG SER A 89 8.624 -16.282 2.619 1.00 0.00 H new ATOM 1302 N ASP A 90 5.693 -17.024 5.609 1.00 0.00 N ATOM 1303 CA ASP A 90 5.698 -17.828 6.826 1.00 0.00 C ATOM 1304 C ASP A 90 7.082 -17.834 7.468 1.00 0.00 C ATOM 1305 O ASP A 90 7.215 -18.006 8.679 1.00 0.00 O ATOM 1306 CB ASP A 90 5.259 -19.260 6.519 1.00 0.00 C ATOM 1307 CG ASP A 90 5.908 -19.808 5.263 1.00 0.00 C ATOM 1308 OD1 ASP A 90 7.034 -20.338 5.361 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.290 -19.706 4.182 1.00 0.00 O ATOM 0 H ASP A 90 5.337 -17.509 4.785 1.00 0.00 H new ATOM 0 HA ASP A 90 4.993 -17.383 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.509 -19.902 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.175 -19.288 6.406 1.00 0.00 H new ATOM 1314 N ALA A 91 8.110 -17.645 6.647 1.00 0.00 N ATOM 1315 CA ALA A 91 9.484 -17.627 7.134 1.00 0.00 C ATOM 1316 C ALA A 91 9.855 -16.253 7.680 1.00 0.00 C ATOM 1317 O ALA A 91 9.759 -15.247 6.975 1.00 0.00 O ATOM 1318 CB ALA A 91 10.442 -18.034 6.025 1.00 0.00 C ATOM 0 H ALA A 91 8.017 -17.502 5.641 1.00 0.00 H new ATOM 0 HA ALA A 91 9.564 -18.346 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.464 -18.016 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.198 -19.040 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.351 -17.337 5.192 1.00 0.00 H new ATOM 1324 N LEU A 92 10.278 -16.216 8.938 1.00 0.00 N ATOM 1325 CA LEU A 92 10.664 -14.963 9.579 1.00 0.00 C ATOM 1326 C LEU A 92 12.065 -15.064 10.172 1.00 0.00 C ATOM 1327 O LEU A 92 12.521 -16.136 10.573 1.00 0.00 O ATOM 1328 CB LEU A 92 9.660 -14.597 10.673 1.00 0.00 C ATOM 1329 CG LEU A 92 8.232 -14.313 10.206 1.00 0.00 C ATOM 1330 CD1 LEU A 92 7.556 -15.595 9.744 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.427 -13.656 11.318 1.00 0.00 C ATOM 0 H LEU A 92 10.363 -17.039 9.535 1.00 0.00 H new ATOM 0 HA LEU A 92 10.666 -14.181 8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.629 -15.411 11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.031 -13.717 11.199 1.00 0.00 H new ATOM 0 HG LEU A 92 8.277 -13.625 9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.541 -15.373 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.119 -16.025 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.523 -16.307 10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.413 -13.461 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.391 -14.320 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.899 -12.716 11.602 1.00 0.00 H new ATOM 1343 N PRO A 93 12.766 -13.922 10.233 1.00 0.00 N ATOM 1344 CA PRO A 93 14.125 -13.855 10.779 1.00 0.00 C ATOM 1345 C PRO A 93 14.155 -14.068 12.289 1.00 0.00 C ATOM 1346 O PRO A 93 15.224 -14.183 12.888 1.00 0.00 O ATOM 1347 CB PRO A 93 14.578 -12.435 10.430 1.00 0.00 C ATOM 1348 CG PRO A 93 13.315 -11.653 10.312 1.00 0.00 C ATOM 1349 CD PRO A 93 12.286 -12.608 9.774 1.00 0.00 C ATOM 0 HA PRO A 93 14.767 -14.635 10.370 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.227 -12.025 11.204 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.143 -12.417 9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.010 -11.255 11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.444 -10.801 9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.291 -12.386 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.223 -12.561 8.687 1.00 0.00 H new ATOM 1357 N SER A 94 12.974 -14.121 12.897 1.00 0.00 N ATOM 1358 CA SER A 94 12.866 -14.317 14.338 1.00 0.00 C ATOM 1359 C SER A 94 13.489 -15.646 14.754 1.00 0.00 C ATOM 1360 O SER A 94 12.790 -16.641 14.938 1.00 0.00 O ATOM 1361 CB SER A 94 11.399 -14.271 14.771 1.00 0.00 C ATOM 1362 OG SER A 94 11.285 -14.249 16.184 1.00 0.00 O ATOM 0 H SER A 94 12.080 -14.031 12.415 1.00 0.00 H new ATOM 0 HA SER A 94 13.409 -13.511 14.831 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.920 -13.387 14.350 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.872 -15.138 14.374 1.00 0.00 H new ATOM 0 HG SER A 94 10.338 -14.218 16.435 1.00 0.00 H new ATOM 1368 N GLY A 95 14.810 -15.653 14.901 1.00 0.00 N ATOM 1369 CA GLY A 95 15.507 -16.863 15.294 1.00 0.00 C ATOM 1370 C GLY A 95 15.972 -17.677 14.102 1.00 0.00 C ATOM 1371 O GLY A 95 15.798 -17.284 12.949 1.00 0.00 O ATOM 0 H GLY A 95 15.410 -14.841 14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.368 -16.600 15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.849 -17.473 15.912 1.00 0.00 H new ATOM 1375 N PRO A 96 16.581 -18.840 14.377 1.00 0.00 N ATOM 1376 CA PRO A 96 17.086 -19.735 13.331 1.00 0.00 C ATOM 1377 C PRO A 96 15.962 -20.397 12.542 1.00 0.00 C ATOM 1378 O PRO A 96 14.837 -20.517 13.026 1.00 0.00 O ATOM 1379 CB PRO A 96 17.879 -20.784 14.115 1.00 0.00 C ATOM 1380 CG PRO A 96 17.266 -20.786 15.473 1.00 0.00 C ATOM 1381 CD PRO A 96 16.822 -19.372 15.728 1.00 0.00 C ATOM 0 HA PRO A 96 17.678 -19.201 12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.807 -21.766 13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.938 -20.528 14.159 1.00 0.00 H new ATOM 0 HG2 PRO A 96 16.422 -21.475 15.519 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.985 -21.111 16.225 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.920 -19.338 16.340 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.586 -18.800 16.255 1.00 0.00 H new ATOM 1389 N SER A 97 16.275 -20.826 11.323 1.00 0.00 N ATOM 1390 CA SER A 97 15.289 -21.474 10.465 1.00 0.00 C ATOM 1391 C SER A 97 14.655 -22.668 11.171 1.00 0.00 C ATOM 1392 O SER A 97 15.231 -23.755 11.214 1.00 0.00 O ATOM 1393 CB SER A 97 15.941 -21.927 9.157 1.00 0.00 C ATOM 1394 OG SER A 97 15.969 -20.874 8.209 1.00 0.00 O ATOM 0 H SER A 97 17.202 -20.737 10.908 1.00 0.00 H new ATOM 0 HA SER A 97 14.506 -20.750 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.957 -22.271 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.391 -22.774 8.748 1.00 0.00 H new ATOM 0 HG SER A 97 16.392 -21.189 7.383 1.00 0.00 H new ATOM 1400 N SER A 98 13.465 -22.458 11.723 1.00 0.00 N ATOM 1401 CA SER A 98 12.752 -23.515 12.431 1.00 0.00 C ATOM 1402 C SER A 98 11.617 -24.071 11.577 1.00 0.00 C ATOM 1403 O SER A 98 11.441 -25.284 11.471 1.00 0.00 O ATOM 1404 CB SER A 98 12.198 -22.987 13.756 1.00 0.00 C ATOM 1405 OG SER A 98 11.713 -24.045 14.564 1.00 0.00 O ATOM 0 H SER A 98 12.973 -21.565 11.694 1.00 0.00 H new ATOM 0 HA SER A 98 13.457 -24.321 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.979 -22.446 14.290 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.395 -22.277 13.561 1.00 0.00 H new ATOM 0 HG SER A 98 11.366 -23.681 15.405 1.00 0.00 H new ATOM 1411 N GLY A 99 10.847 -23.173 10.970 1.00 0.00 N ATOM 1412 CA GLY A 99 9.737 -23.591 10.133 1.00 0.00 C ATOM 1413 C GLY A 99 8.391 -23.285 10.760 1.00 0.00 C ATOM 1414 O GLY A 99 7.600 -22.524 10.204 1.00 0.00 O ATOM 0 H GLY A 99 10.972 -22.163 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.806 -23.091 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.811 -24.662 9.944 1.00 0.00 H new TER 1418 GLY A 99