USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 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 Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 70:sc= 0.405 USER MOD Single : A 37 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-2.8!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 70:sc= 0.409 USER MOD Single : B 37 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2.8!) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 68:sc= 0.41 USER MOD Single : C 37 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-2.8!) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 69:sc= 0.41 USER MOD Single : D 37 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.597 10.410 18.983 1.00 99.99 N ATOM 2 CA SER A 22 1.253 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.594 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.450 7.869 18.468 1.00 99.99 O ATOM 5 CB SER A 22 2.515 11.011 17.460 1.00 99.99 C ATOM 6 OG SER A 22 3.539 10.780 18.424 1.00 99.99 O ATOM 0 HA SER A 22 0.531 10.358 16.896 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.916 10.828 16.463 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.220 12.060 17.497 1.00 99.99 H new ATOM 0 HG SER A 22 4.302 11.366 18.237 1.00 99.99 H new ATOM 11 N SER A 23 2.067 8.272 16.322 1.00 99.99 N ATOM 12 CA SER A 23 2.544 6.942 16.028 1.00 99.99 C ATOM 13 C SER A 23 3.965 7.114 15.555 1.00 99.99 C ATOM 14 O SER A 23 4.553 8.182 15.722 1.00 99.99 O ATOM 15 CB SER A 23 1.684 6.221 14.961 1.00 99.99 C ATOM 16 OG SER A 23 0.357 6.041 15.438 1.00 99.99 O ATOM 0 H SER A 23 2.119 8.905 15.524 1.00 99.99 H new ATOM 0 HA SER A 23 2.481 6.310 16.914 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.671 6.804 14.040 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.126 5.254 14.720 1.00 99.99 H new ATOM 0 HG SER A 23 -0.177 5.586 14.754 1.00 99.99 H new ATOM 22 N ASP A 24 4.567 6.044 14.975 1.00 99.99 N ATOM 23 CA ASP A 24 5.970 6.009 14.602 1.00 99.99 C ATOM 24 C ASP A 24 6.107 6.537 13.190 1.00 99.99 C ATOM 25 O ASP A 24 5.155 6.405 12.428 1.00 99.99 O ATOM 26 CB ASP A 24 6.549 4.567 14.643 1.00 99.99 C ATOM 27 CG ASP A 24 6.498 3.979 16.057 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.411 4.760 17.044 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.556 2.725 16.166 1.00 99.99 O ATOM 0 H ASP A 24 4.069 5.180 14.759 1.00 99.99 H new ATOM 0 HA ASP A 24 6.523 6.619 15.316 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.986 3.929 13.962 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.580 4.578 14.290 1.00 99.99 H new ATOM 34 N PRO A 25 7.215 7.154 12.773 1.00 99.99 N ATOM 35 CA PRO A 25 7.252 7.973 11.570 1.00 99.99 C ATOM 36 C PRO A 25 7.249 7.153 10.299 1.00 99.99 C ATOM 37 O PRO A 25 6.862 7.705 9.281 1.00 99.99 O ATOM 38 CB PRO A 25 8.551 8.787 11.693 1.00 99.99 C ATOM 39 CG PRO A 25 9.431 7.957 12.631 1.00 99.99 C ATOM 40 CD PRO A 25 8.411 7.349 13.590 1.00 99.99 C ATOM 0 HA PRO A 25 6.363 8.599 11.498 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.026 8.927 10.722 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.361 9.780 12.101 1.00 99.99 H new ATOM 0 HG2 PRO A 25 9.988 7.191 12.092 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.162 8.574 13.154 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.768 6.406 14.004 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.213 8.012 14.432 1.00 99.99 H new ATOM 48 N LEU A 26 7.681 5.872 10.338 1.00 99.99 N ATOM 49 CA LEU A 26 7.644 4.888 9.264 1.00 99.99 C ATOM 50 C LEU A 26 6.201 4.494 8.988 1.00 99.99 C ATOM 51 O LEU A 26 5.834 4.377 7.847 1.00 99.99 O ATOM 52 CB LEU A 26 8.387 3.591 9.614 1.00 99.99 C ATOM 53 CG LEU A 26 8.214 2.414 8.627 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.793 2.714 7.242 1.00 99.99 C ATOM 55 CD2 LEU A 26 8.836 1.137 9.208 1.00 99.99 C ATOM 0 H LEU A 26 8.092 5.484 11.187 1.00 99.99 H new ATOM 0 HA LEU A 26 8.125 5.357 8.406 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.450 3.817 9.694 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.056 3.263 10.599 1.00 99.99 H new ATOM 0 HG LEU A 26 7.143 2.264 8.493 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.643 1.853 6.591 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.289 3.582 6.817 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.860 2.921 7.331 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.707 0.316 8.503 1.00 99.99 H new ATOM 0 HD22 LEU A 26 9.899 1.299 9.386 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.344 0.888 10.148 1.00 99.99 H new ATOM 67 N VAL A 27 5.467 4.305 9.998 1.00 99.99 N ATOM 68 CA VAL A 27 4.070 3.900 9.882 1.00 99.99 C ATOM 69 C VAL A 27 3.256 5.055 9.318 1.00 99.99 C ATOM 70 O VAL A 27 2.465 4.837 8.435 1.00 99.99 O ATOM 71 CB VAL A 27 3.438 3.544 11.234 1.00 99.99 C ATOM 72 CG1 VAL A 27 1.935 3.242 11.071 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.148 2.307 11.826 1.00 99.99 C ATOM 0 H VAL A 27 5.789 4.419 10.959 1.00 99.99 H new ATOM 0 HA VAL A 27 4.059 3.021 9.238 1.00 99.99 H new ATOM 0 HB VAL A 27 3.553 4.395 11.905 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.507 2.992 12.042 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.429 4.119 10.666 1.00 99.99 H new ATOM 0 HG13 VAL A 27 1.805 2.401 10.390 1.00 99.99 H new ATOM 0 HG21 VAL A 27 3.699 2.055 12.786 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.041 1.464 11.143 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.206 2.528 11.967 1.00 99.99 H new ATOM 83 N VAL A 28 3.460 6.192 9.827 1.00 99.99 N ATOM 84 CA VAL A 28 2.732 7.381 9.401 1.00 99.99 C ATOM 85 C VAL A 28 3.164 7.757 7.992 1.00 99.99 C ATOM 86 O VAL A 28 2.323 8.061 7.183 1.00 99.99 O ATOM 87 CB VAL A 28 3.016 8.603 10.284 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.370 9.877 9.701 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.491 8.347 11.711 1.00 99.99 C ATOM 0 H VAL A 28 4.141 6.365 10.566 1.00 99.99 H new ATOM 0 HA VAL A 28 1.673 7.132 9.465 1.00 99.99 H new ATOM 0 HB VAL A 28 4.094 8.759 10.316 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.589 10.725 10.349 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.773 10.067 8.706 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.291 9.740 9.635 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.695 9.217 12.335 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.416 8.168 11.677 1.00 99.99 H new ATOM 0 HG23 VAL A 28 2.991 7.474 12.131 1.00 99.99 H new ATOM 99 N ALA A 29 4.402 7.736 7.757 1.00 99.99 N ATOM 100 CA ALA A 29 4.959 8.101 6.458 1.00 99.99 C ATOM 101 C ALA A 29 4.404 7.164 5.394 1.00 99.99 C ATOM 102 O ALA A 29 4.062 7.625 4.333 1.00 99.99 O ATOM 103 CB ALA A 29 6.485 7.962 6.402 1.00 99.99 C ATOM 0 H ALA A 29 5.102 7.466 8.448 1.00 99.99 H new ATOM 0 HA ALA A 29 4.687 9.143 6.290 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.840 8.247 5.412 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.937 8.612 7.151 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.764 6.928 6.603 1.00 99.99 H new ATOM 109 N ALA A 30 4.343 5.940 5.694 1.00 99.99 N ATOM 110 CA ALA A 30 3.856 4.932 4.761 1.00 99.99 C ATOM 111 C ALA A 30 2.391 5.195 4.450 1.00 99.99 C ATOM 112 O ALA A 30 1.983 4.989 3.333 1.00 99.99 O ATOM 113 CB ALA A 30 3.927 3.509 5.330 1.00 99.99 C ATOM 0 H ALA A 30 4.626 5.566 6.600 1.00 99.99 H new ATOM 0 HA ALA A 30 4.493 5.001 3.879 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.551 2.802 4.590 1.00 99.99 H new ATOM 0 HB2 ALA A 30 4.961 3.265 5.572 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.319 3.447 6.233 1.00 99.99 H new ATOM 119 N SER A 31 1.682 5.621 5.401 1.00 99.99 N ATOM 120 CA SER A 31 0.256 5.893 5.252 1.00 99.99 C ATOM 121 C SER A 31 0.060 6.989 4.215 1.00 99.99 C ATOM 122 O SER A 31 -0.772 6.840 3.355 1.00 99.99 O ATOM 123 CB SER A 31 -0.396 6.397 6.545 1.00 99.99 C ATOM 124 OG SER A 31 -0.382 5.383 7.549 1.00 99.99 O ATOM 0 H SER A 31 2.045 5.806 6.336 1.00 99.99 H new ATOM 0 HA SER A 31 -0.207 4.949 4.963 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.134 7.279 6.905 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.423 6.702 6.345 1.00 99.99 H new ATOM 0 HG SER A 31 0.538 5.234 7.851 1.00 99.99 H new ATOM 130 N ILE A 32 0.791 8.011 4.329 1.00 99.99 N ATOM 131 CA ILE A 32 0.691 9.148 3.422 1.00 99.99 C ATOM 132 C ILE A 32 1.098 8.715 2.021 1.00 99.99 C ATOM 133 O ILE A 32 0.503 9.157 1.074 1.00 99.99 O ATOM 134 CB ILE A 32 1.624 10.303 3.807 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.193 10.907 5.163 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.625 11.397 2.719 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.265 11.813 5.784 1.00 99.99 C ATOM 0 H ILE A 32 1.499 8.119 5.055 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.343 9.489 3.474 1.00 99.99 H new ATOM 0 HB ILE A 32 2.636 9.907 3.897 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.277 11.480 5.024 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.961 10.099 5.857 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.294 12.205 3.016 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.966 10.971 1.775 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.615 11.789 2.596 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.903 12.206 6.734 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.175 11.237 5.953 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.479 12.640 5.107 1.00 99.99 H new ATOM 149 N ILE A 33 2.062 7.905 1.942 1.00 99.99 N ATOM 150 CA ILE A 33 2.578 7.425 0.665 1.00 99.99 C ATOM 151 C ILE A 33 1.477 6.675 -0.073 1.00 99.99 C ATOM 152 O ILE A 33 1.295 6.904 -1.241 1.00 99.99 O ATOM 153 CB ILE A 33 3.742 6.437 0.821 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.048 7.244 1.027 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.866 5.490 -0.386 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.227 6.427 1.568 1.00 99.99 C ATOM 0 H ILE A 33 2.549 7.528 2.755 1.00 99.99 H new ATOM 0 HA ILE A 33 2.926 8.307 0.127 1.00 99.99 H new ATOM 0 HB ILE A 33 3.552 5.804 1.688 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.338 7.689 0.075 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.847 8.065 1.715 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.703 4.810 -0.230 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.946 4.915 -0.493 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.037 6.074 -1.291 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.097 7.074 1.680 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.962 6.004 2.537 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.461 5.621 0.872 1.00 99.99 H new ATOM 168 N GLY A 34 0.813 5.842 0.603 1.00 99.99 N ATOM 169 CA GLY A 34 -0.255 5.037 0.017 1.00 99.99 C ATOM 170 C GLY A 34 -1.394 5.947 -0.412 1.00 99.99 C ATOM 171 O GLY A 34 -1.984 5.703 -1.435 1.00 99.99 O ATOM 0 H GLY A 34 0.968 5.669 1.596 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.123 4.480 -0.840 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.613 4.305 0.741 1.00 99.99 H new ATOM 175 N ILE A 35 -1.333 7.211 -0.024 1.00 99.99 N ATOM 176 CA ILE A 35 -2.349 8.115 -0.555 1.00 99.99 C ATOM 177 C ILE A 35 -1.803 8.819 -1.786 1.00 99.99 C ATOM 178 O ILE A 35 -2.493 8.894 -2.771 1.00 99.99 O ATOM 179 CB ILE A 35 -2.743 9.217 0.436 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.304 8.595 1.740 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.790 10.151 -0.209 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.438 9.571 2.913 1.00 99.99 C ATOM 0 H ILE A 35 -0.645 7.617 0.610 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.222 7.500 -0.773 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.857 9.800 0.688 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.284 8.166 1.529 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.655 7.773 2.042 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.066 10.932 0.499 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.368 10.606 -1.105 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.675 9.575 -0.477 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.838 9.045 3.780 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.459 9.982 3.158 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.113 10.381 2.637 1.00 99.99 H new ATOM 194 N LEU A 36 -0.637 9.293 -1.695 1.00 99.99 N ATOM 195 CA LEU A 36 -0.001 10.018 -2.790 1.00 99.99 C ATOM 196 C LEU A 36 0.120 9.098 -3.997 1.00 99.99 C ATOM 197 O LEU A 36 -0.154 9.527 -5.088 1.00 99.99 O ATOM 198 CB LEU A 36 1.422 10.479 -2.453 1.00 99.99 C ATOM 199 CG LEU A 36 2.200 11.136 -3.613 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.517 12.431 -4.075 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.659 11.397 -3.220 1.00 99.99 C ATOM 0 H LEU A 36 -0.057 9.207 -0.861 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.624 10.891 -2.983 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.369 11.188 -1.627 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.990 9.618 -2.099 1.00 99.99 H new ATOM 0 HG LEU A 36 2.197 10.439 -4.451 1.00 99.99 H new ATOM 0 HD11 LEU A 36 2.087 12.871 -4.893 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.506 12.207 -4.417 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.472 13.135 -3.244 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.184 11.860 -4.056 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.690 12.063 -2.358 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.142 10.453 -2.967 1.00 99.99 H new ATOM 213 N HIS A 37 0.553 7.832 -3.806 1.00 99.99 N ATOM 214 CA HIS A 37 0.768 6.868 -4.858 1.00 99.99 C ATOM 215 C HIS A 37 -0.536 6.551 -5.538 1.00 99.99 C ATOM 216 O HIS A 37 -0.560 6.202 -6.716 1.00 99.99 O ATOM 217 CB HIS A 37 1.382 5.557 -4.310 1.00 99.99 C ATOM 218 CG HIS A 37 1.808 4.580 -5.375 1.00 99.99 C ATOM 219 ND1 HIS A 37 2.062 3.263 -5.105 1.00 99.99 N ATOM 220 CD2 HIS A 37 2.067 4.773 -6.690 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.454 2.674 -6.227 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.464 3.569 -7.204 1.00 99.99 N ATOM 0 H HIS A 37 0.763 7.462 -2.879 1.00 99.99 H new ATOM 0 HA HIS A 37 1.467 7.308 -5.570 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.246 5.804 -3.693 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.654 5.073 -3.659 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.977 5.703 -7.232 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.722 1.633 -6.328 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.724 3.391 -8.174 1.00 99.99 H new ATOM 230 N LEU A 38 -1.660 6.711 -4.798 1.00 99.99 N ATOM 231 CA LEU A 38 -2.998 6.463 -5.324 1.00 99.99 C ATOM 232 C LEU A 38 -3.373 7.577 -6.291 1.00 99.99 C ATOM 233 O LEU A 38 -3.882 7.291 -7.345 1.00 99.99 O ATOM 234 CB LEU A 38 -4.078 6.455 -4.233 1.00 99.99 C ATOM 235 CG LEU A 38 -5.506 6.218 -4.781 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.616 4.879 -5.522 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.567 6.310 -3.684 1.00 99.99 C ATOM 0 H LEU A 38 -1.650 7.015 -3.824 1.00 99.99 H new ATOM 0 HA LEU A 38 -2.962 5.483 -5.800 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.843 5.678 -3.505 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.054 7.407 -3.702 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.697 7.019 -5.496 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.633 4.750 -5.891 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -4.921 4.870 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.372 4.065 -4.840 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.553 6.137 -4.116 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.368 5.557 -2.921 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.538 7.301 -3.232 1.00 99.99 H new ATOM 249 N ILE A 39 -3.127 8.754 -5.917 1.00 99.99 N ATOM 250 CA ILE A 39 -3.459 9.919 -6.731 1.00 99.99 C ATOM 251 C ILE A 39 -2.667 9.865 -8.029 1.00 99.99 C ATOM 252 O ILE A 39 -3.225 10.120 -9.067 1.00 99.99 O ATOM 253 CB ILE A 39 -3.091 11.247 -6.055 1.00 99.99 C ATOM 254 CG1 ILE A 39 -3.986 11.470 -4.816 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.245 12.415 -7.051 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.575 12.680 -3.965 1.00 99.99 C ATOM 0 H ILE A 39 -2.682 8.982 -5.028 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.537 9.885 -6.889 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.050 11.206 -5.734 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.017 11.601 -5.143 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -3.960 10.575 -4.195 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -2.981 13.351 -6.558 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.585 12.255 -7.904 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.278 12.466 -7.396 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.249 12.772 -3.114 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.555 12.543 -3.607 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.629 13.585 -4.570 1.00 99.99 H new ATOM 268 N LEU A 40 -1.448 9.559 -7.935 1.00 99.99 N ATOM 269 CA LEU A 40 -0.566 9.494 -9.094 1.00 99.99 C ATOM 270 C LEU A 40 -1.074 8.431 -10.056 1.00 99.99 C ATOM 271 O LEU A 40 -1.100 8.675 -11.236 1.00 99.99 O ATOM 272 CB LEU A 40 0.871 9.097 -8.731 1.00 99.99 C ATOM 273 CG LEU A 40 1.684 10.163 -7.964 1.00 99.99 C ATOM 274 CD1 LEU A 40 3.056 9.584 -7.569 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.873 11.451 -8.778 1.00 99.99 C ATOM 0 H LEU A 40 -0.990 9.336 -7.051 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.563 10.493 -9.531 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.837 8.189 -8.129 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.404 8.851 -9.649 1.00 99.99 H new ATOM 0 HG LEU A 40 1.119 10.426 -7.070 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.627 10.338 -7.028 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.913 8.711 -6.932 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.600 9.292 -8.467 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.451 12.168 -8.195 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.404 11.223 -9.702 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.898 11.877 -9.016 1.00 99.99 H new ATOM 287 N TRP A 41 -1.440 7.336 -9.547 1.00 99.99 N ATOM 288 CA TRP A 41 -1.922 6.222 -10.353 1.00 99.99 C ATOM 289 C TRP A 41 -3.238 6.612 -11.011 1.00 99.99 C ATOM 290 O TRP A 41 -3.429 6.314 -12.163 1.00 99.99 O ATOM 291 CB TRP A 41 -2.208 4.963 -9.523 1.00 99.99 C ATOM 292 CG TRP A 41 -2.610 3.756 -10.350 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.789 2.944 -11.071 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.955 3.317 -10.609 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.517 1.974 -11.699 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.851 2.206 -11.466 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.194 3.787 -10.164 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.985 1.526 -11.886 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.333 3.106 -10.601 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.237 1.990 -11.449 1.00 99.99 C ATOM 0 H TRP A 41 -1.427 7.148 -8.545 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.136 6.003 -11.075 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.320 4.713 -8.943 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.003 5.183 -8.810 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.716 3.051 -11.137 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.134 1.205 -12.249 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.268 4.642 -9.509 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.907 0.663 -12.531 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.307 3.444 -10.280 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.136 1.483 -11.768 1.00 99.99 H new ATOM 311 N ILE A 42 -4.069 7.227 -10.286 1.00 99.99 N ATOM 312 CA ILE A 42 -5.381 7.637 -10.779 1.00 99.99 C ATOM 313 C ILE A 42 -5.204 8.717 -11.837 1.00 99.99 C ATOM 314 O ILE A 42 -5.869 8.666 -12.841 1.00 99.99 O ATOM 315 CB ILE A 42 -6.266 8.245 -9.685 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.727 7.144 -8.702 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.489 8.958 -10.300 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.542 7.680 -7.515 1.00 99.99 C ATOM 0 H ILE A 42 -3.891 7.481 -9.314 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.858 6.737 -11.167 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.679 8.985 -9.140 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.328 6.413 -9.244 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.851 6.618 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.102 9.381 -9.504 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.151 9.756 -10.961 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.080 8.241 -10.870 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.831 6.851 -6.868 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.937 8.389 -6.949 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.437 8.181 -7.885 1.00 99.99 H new ATOM 330 N LEU A 43 -4.361 9.621 -11.586 1.00 99.99 N ATOM 331 CA LEU A 43 -4.113 10.730 -12.500 1.00 99.99 C ATOM 332 C LEU A 43 -3.555 10.189 -13.809 1.00 99.99 C ATOM 333 O LEU A 43 -3.858 10.729 -14.842 1.00 99.99 O ATOM 334 CB LEU A 43 -3.072 11.722 -11.964 1.00 99.99 C ATOM 335 CG LEU A 43 -3.550 12.555 -10.751 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.364 13.312 -10.126 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.663 13.543 -11.133 1.00 99.99 C ATOM 0 H LEU A 43 -3.796 9.646 -10.737 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.067 11.242 -12.627 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.175 11.171 -11.681 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.788 12.402 -12.767 1.00 99.99 H new ATOM 0 HG LEU A 43 -3.964 11.860 -10.020 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.713 13.895 -9.273 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.611 12.598 -9.794 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -1.927 13.981 -10.868 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -4.968 14.106 -10.251 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.294 14.231 -11.893 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.518 12.993 -11.526 1.00 99.99 H new ATOM 349 N ASP A 44 -2.785 9.193 -13.725 1.00 99.99 N ATOM 350 CA ASP A 44 -2.159 8.590 -14.894 1.00 99.99 C ATOM 351 C ASP A 44 -3.227 7.916 -15.746 1.00 99.99 C ATOM 352 O ASP A 44 -3.150 7.989 -16.947 1.00 99.99 O ATOM 353 CB ASP A 44 -1.141 7.499 -14.534 1.00 99.99 C ATOM 354 CG ASP A 44 -0.422 6.932 -15.773 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.348 7.687 -16.412 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.588 5.714 -16.080 1.00 99.99 O ATOM 0 H ASP A 44 -2.544 8.739 -12.844 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.648 9.398 -15.416 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.402 7.909 -13.845 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.650 6.689 -14.011 1.00 99.99 H new ATOM 361 N ARG A 45 -4.140 7.306 -15.127 1.00 99.99 N ATOM 362 CA ARG A 45 -5.212 6.596 -15.815 1.00 99.99 C ATOM 363 C ARG A 45 -6.075 7.595 -16.572 1.00 99.99 C ATOM 364 O ARG A 45 -6.432 7.330 -17.691 1.00 99.99 O ATOM 365 CB ARG A 45 -6.152 5.856 -14.855 1.00 99.99 C ATOM 366 CG ARG A 45 -5.471 4.707 -14.083 1.00 99.99 C ATOM 367 CD ARG A 45 -5.235 3.459 -14.943 1.00 99.99 C ATOM 368 NE ARG A 45 -3.847 3.532 -15.526 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.516 2.838 -16.631 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.398 2.033 -17.248 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.260 2.941 -17.095 1.00 99.99 N ATOM 0 H ARG A 45 -4.199 7.262 -14.110 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.726 5.874 -16.471 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.562 6.569 -14.140 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.992 5.454 -15.421 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.516 5.057 -13.692 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.088 4.438 -13.225 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.345 2.558 -14.340 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.977 3.402 -15.739 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.145 4.118 -15.075 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.345 1.937 -16.880 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.121 1.518 -18.084 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.585 3.534 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.981 2.426 -17.930 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.478 10.317 -17.738 1.00 99.99 C ATOM 388 O LEU A 46 -5.461 10.988 -17.570 1.00 99.99 O ATOM 389 CB LEU A 46 -7.526 10.839 -15.590 1.00 99.99 C ATOM 390 CG LEU A 46 -8.268 10.479 -14.279 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.262 11.717 -13.362 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.704 9.996 -14.507 1.00 99.99 C ATOM 0 H LEU A 46 -6.049 8.878 -15.020 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.138 9.202 -16.849 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.587 11.324 -15.323 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.125 11.576 -16.125 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.742 9.644 -13.816 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.781 11.484 -12.432 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.233 12.002 -13.142 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.768 12.543 -13.862 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.165 9.761 -13.548 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.277 10.779 -15.003 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.693 9.103 -15.133 1.00 99.99 H new ATOM 405 N SER B 22 -10.410 0.597 18.983 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.253 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.594 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.869 1.450 18.468 1.00 99.99 O ATOM 409 CB SER B 22 -11.011 2.515 17.460 1.00 99.99 C ATOM 410 OG SER B 22 -10.780 3.539 18.424 1.00 99.99 O ATOM 0 HA SER B 22 -10.358 0.531 16.896 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.828 2.916 16.463 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.060 2.220 17.497 1.00 99.99 H new ATOM 0 HG SER B 22 -11.366 4.302 18.237 1.00 99.99 H new ATOM 415 N SER B 23 -8.272 2.067 16.322 1.00 99.99 N ATOM 416 CA SER B 23 -6.942 2.544 16.028 1.00 99.99 C ATOM 417 C SER B 23 -7.114 3.965 15.555 1.00 99.99 C ATOM 418 O SER B 23 -8.182 4.553 15.722 1.00 99.99 O ATOM 419 CB SER B 23 -6.221 1.684 14.961 1.00 99.99 C ATOM 420 OG SER B 23 -6.041 0.357 15.438 1.00 99.99 O ATOM 0 H SER B 23 -8.905 2.119 15.524 1.00 99.99 H new ATOM 0 HA SER B 23 -6.310 2.481 16.914 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.804 1.671 14.040 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.254 2.126 14.720 1.00 99.99 H new ATOM 0 HG SER B 23 -5.586 -0.177 14.754 1.00 99.99 H new ATOM 426 N ASP B 24 -6.044 4.567 14.975 1.00 99.99 N ATOM 427 CA ASP B 24 -6.009 5.970 14.602 1.00 99.99 C ATOM 428 C ASP B 24 -6.537 6.107 13.190 1.00 99.99 C ATOM 429 O ASP B 24 -6.405 5.155 12.428 1.00 99.99 O ATOM 430 CB ASP B 24 -4.567 6.549 14.643 1.00 99.99 C ATOM 431 CG ASP B 24 -3.979 6.498 16.057 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.760 6.411 17.044 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.725 6.556 16.166 1.00 99.99 O ATOM 0 H ASP B 24 -5.180 4.069 14.759 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.619 6.523 15.316 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.929 5.986 13.962 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.578 7.580 14.290 1.00 99.99 H new ATOM 438 N PRO B 25 -7.154 7.215 12.773 1.00 99.99 N ATOM 439 CA PRO B 25 -7.973 7.252 11.570 1.00 99.99 C ATOM 440 C PRO B 25 -7.153 7.249 10.299 1.00 99.99 C ATOM 441 O PRO B 25 -7.705 6.862 9.281 1.00 99.99 O ATOM 442 CB PRO B 25 -8.787 8.551 11.693 1.00 99.99 C ATOM 443 CG PRO B 25 -7.957 9.431 12.631 1.00 99.99 C ATOM 444 CD PRO B 25 -7.349 8.411 13.590 1.00 99.99 C ATOM 0 HA PRO B 25 -8.599 6.363 11.498 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -8.927 9.026 10.722 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.780 8.361 12.101 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.191 9.988 12.092 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.574 10.162 13.154 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.406 8.768 14.004 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.012 8.213 14.432 1.00 99.99 H new ATOM 452 N LEU B 26 -5.872 7.681 10.338 1.00 99.99 N ATOM 453 CA LEU B 26 -4.888 7.644 9.264 1.00 99.99 C ATOM 454 C LEU B 26 -4.494 6.201 8.988 1.00 99.99 C ATOM 455 O LEU B 26 -4.377 5.834 7.847 1.00 99.99 O ATOM 456 CB LEU B 26 -3.591 8.387 9.614 1.00 99.99 C ATOM 457 CG LEU B 26 -2.414 8.214 8.627 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.714 8.793 7.242 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.137 8.836 9.208 1.00 99.99 C ATOM 0 H LEU B 26 -5.484 8.092 11.187 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.357 8.125 8.406 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -3.817 9.450 9.694 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.263 8.056 10.599 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.264 7.143 8.493 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -1.853 8.643 6.591 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.582 8.289 6.817 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -2.921 9.860 7.331 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.316 8.707 8.503 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.299 9.899 9.386 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -0.888 8.344 10.148 1.00 99.99 H new ATOM 471 N VAL B 27 -4.305 5.467 9.998 1.00 99.99 N ATOM 472 CA VAL B 27 -3.900 4.070 9.882 1.00 99.99 C ATOM 473 C VAL B 27 -5.055 3.256 9.318 1.00 99.99 C ATOM 474 O VAL B 27 -4.837 2.465 8.435 1.00 99.99 O ATOM 475 CB VAL B 27 -3.544 3.438 11.234 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.242 1.935 11.071 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.307 4.148 11.826 1.00 99.99 C ATOM 0 H VAL B 27 -4.419 5.789 10.959 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.021 4.059 9.238 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.395 3.553 11.905 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.992 1.507 12.042 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.119 1.429 10.666 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.401 1.805 10.390 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.055 3.699 12.786 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.464 4.041 11.143 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.528 5.206 11.967 1.00 99.99 H new ATOM 487 N VAL B 28 -6.192 3.460 9.827 1.00 99.99 N ATOM 488 CA VAL B 28 -7.381 2.732 9.401 1.00 99.99 C ATOM 489 C VAL B 28 -7.757 3.164 7.992 1.00 99.99 C ATOM 490 O VAL B 28 -8.061 2.323 7.183 1.00 99.99 O ATOM 491 CB VAL B 28 -8.603 3.016 10.284 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.877 2.370 9.701 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.347 2.491 11.711 1.00 99.99 C ATOM 0 H VAL B 28 -6.365 4.141 10.566 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.132 1.673 9.465 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.759 4.094 10.316 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.725 2.589 10.349 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.067 2.773 8.706 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.740 1.291 9.635 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.217 2.695 12.335 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.168 1.416 11.677 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.474 2.991 12.131 1.00 99.99 H new ATOM 503 N ALA B 29 -7.736 4.402 7.757 1.00 99.99 N ATOM 504 CA ALA B 29 -8.101 4.959 6.458 1.00 99.99 C ATOM 505 C ALA B 29 -7.164 4.404 5.394 1.00 99.99 C ATOM 506 O ALA B 29 -7.625 4.062 4.333 1.00 99.99 O ATOM 507 CB ALA B 29 -7.962 6.485 6.402 1.00 99.99 C ATOM 0 H ALA B 29 -7.466 5.102 8.448 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.143 4.687 6.290 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.247 6.840 5.412 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.612 6.937 7.151 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -6.928 6.764 6.603 1.00 99.99 H new ATOM 513 N ALA B 30 -5.940 4.343 5.694 1.00 99.99 N ATOM 514 CA ALA B 30 -4.932 3.856 4.761 1.00 99.99 C ATOM 515 C ALA B 30 -5.195 2.391 4.450 1.00 99.99 C ATOM 516 O ALA B 30 -4.989 1.983 3.333 1.00 99.99 O ATOM 517 CB ALA B 30 -3.509 3.927 5.330 1.00 99.99 C ATOM 0 H ALA B 30 -5.566 4.626 6.600 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.001 4.493 3.879 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.802 3.551 4.590 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.265 4.961 5.572 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.447 3.319 6.233 1.00 99.99 H new ATOM 523 N SER B 31 -5.621 1.682 5.401 1.00 99.99 N ATOM 524 CA SER B 31 -5.893 0.256 5.252 1.00 99.99 C ATOM 525 C SER B 31 -6.989 0.060 4.215 1.00 99.99 C ATOM 526 O SER B 31 -6.840 -0.772 3.355 1.00 99.99 O ATOM 527 CB SER B 31 -6.397 -0.396 6.545 1.00 99.99 C ATOM 528 OG SER B 31 -5.383 -0.382 7.549 1.00 99.99 O ATOM 0 H SER B 31 -5.806 2.045 6.336 1.00 99.99 H new ATOM 0 HA SER B 31 -4.949 -0.207 4.963 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.279 0.134 6.905 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.702 -1.423 6.345 1.00 99.99 H new ATOM 0 HG SER B 31 -5.234 0.538 7.851 1.00 99.99 H new ATOM 534 N ILE B 32 -8.011 0.791 4.329 1.00 99.99 N ATOM 535 CA ILE B 32 -9.148 0.691 3.422 1.00 99.99 C ATOM 536 C ILE B 32 -8.715 1.098 2.021 1.00 99.99 C ATOM 537 O ILE B 32 -9.157 0.503 1.074 1.00 99.99 O ATOM 538 CB ILE B 32 -10.303 1.624 3.807 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.907 1.193 5.163 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.397 1.625 2.719 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.813 2.265 5.784 1.00 99.99 C ATOM 0 H ILE B 32 -8.119 1.499 5.055 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.489 -0.343 3.474 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.907 2.636 3.897 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.480 0.277 5.024 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.099 0.961 5.857 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.205 2.294 3.016 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.971 1.966 1.775 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.789 0.615 2.596 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.206 1.903 6.734 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.237 3.175 5.953 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.640 2.479 5.107 1.00 99.99 H new ATOM 553 N ILE B 33 -7.905 2.062 1.942 1.00 99.99 N ATOM 554 CA ILE B 33 -7.425 2.578 0.665 1.00 99.99 C ATOM 555 C ILE B 33 -6.675 1.477 -0.073 1.00 99.99 C ATOM 556 O ILE B 33 -6.904 1.295 -1.241 1.00 99.99 O ATOM 557 CB ILE B 33 -6.437 3.742 0.821 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.244 5.048 1.027 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.490 3.866 -0.386 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.427 6.227 1.568 1.00 99.99 C ATOM 0 H ILE B 33 -7.528 2.549 2.755 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.307 2.926 0.127 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.804 3.552 1.688 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.689 5.338 0.075 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.065 4.847 1.715 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.810 4.703 -0.230 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.915 2.946 -0.493 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.074 4.037 -1.291 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.074 7.097 1.680 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.004 5.962 2.537 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.621 6.461 0.872 1.00 99.99 H new ATOM 572 N GLY B 34 -5.842 0.813 0.603 1.00 99.99 N ATOM 573 CA GLY B 34 -5.037 -0.255 0.017 1.00 99.99 C ATOM 574 C GLY B 34 -5.947 -1.394 -0.412 1.00 99.99 C ATOM 575 O GLY B 34 -5.703 -1.984 -1.435 1.00 99.99 O ATOM 0 H GLY B 34 -5.669 0.968 1.596 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.480 0.123 -0.840 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.305 -0.613 0.741 1.00 99.99 H new ATOM 579 N ILE B 35 -7.211 -1.333 -0.024 1.00 99.99 N ATOM 580 CA ILE B 35 -8.115 -2.349 -0.555 1.00 99.99 C ATOM 581 C ILE B 35 -8.819 -1.803 -1.786 1.00 99.99 C ATOM 582 O ILE B 35 -8.894 -2.493 -2.771 1.00 99.99 O ATOM 583 CB ILE B 35 -9.217 -2.743 0.436 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.595 -3.304 1.740 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.151 -3.790 -0.209 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.571 -3.438 2.913 1.00 99.99 C ATOM 0 H ILE B 35 -7.617 -0.645 0.610 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.500 -3.222 -0.773 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.800 -1.857 0.688 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.166 -4.284 1.529 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.773 -2.655 2.042 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.932 -4.066 0.499 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.606 -3.368 -1.105 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.575 -4.675 -0.477 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -9.045 -3.838 3.780 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.982 -2.459 3.158 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.381 -4.113 2.637 1.00 99.99 H new ATOM 598 N LEU B 36 -9.293 -0.637 -1.695 1.00 99.99 N ATOM 599 CA LEU B 36 -10.018 -0.001 -2.790 1.00 99.99 C ATOM 600 C LEU B 36 -9.098 0.120 -3.997 1.00 99.99 C ATOM 601 O LEU B 36 -9.527 -0.154 -5.088 1.00 99.99 O ATOM 602 CB LEU B 36 -10.479 1.422 -2.453 1.00 99.99 C ATOM 603 CG LEU B 36 -11.136 2.200 -3.613 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.431 1.517 -4.075 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.397 3.659 -3.220 1.00 99.99 C ATOM 0 H LEU B 36 -9.207 -0.057 -0.861 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.891 -0.624 -2.983 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.188 1.369 -1.627 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.618 1.990 -2.099 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.439 2.197 -4.451 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.871 2.087 -4.893 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.207 0.506 -4.417 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.135 1.472 -3.244 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.860 4.184 -4.056 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.063 3.690 -2.358 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.453 4.142 -2.967 1.00 99.99 H new ATOM 617 N HIS B 37 -7.832 0.553 -3.806 1.00 99.99 N ATOM 618 CA HIS B 37 -6.868 0.768 -4.858 1.00 99.99 C ATOM 619 C HIS B 37 -6.551 -0.536 -5.538 1.00 99.99 C ATOM 620 O HIS B 37 -6.202 -0.560 -6.716 1.00 99.99 O ATOM 621 CB HIS B 37 -5.557 1.382 -4.310 1.00 99.99 C ATOM 622 CG HIS B 37 -4.580 1.808 -5.375 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.263 2.062 -5.105 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.773 2.067 -6.690 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.674 2.454 -6.227 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.569 2.464 -7.204 1.00 99.99 N ATOM 0 H HIS B 37 -7.462 0.763 -2.879 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.308 1.467 -5.570 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.804 2.246 -3.693 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.073 0.654 -3.659 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.703 1.977 -7.232 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.633 2.722 -6.328 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.391 2.724 -8.174 1.00 99.99 H new ATOM 634 N LEU B 38 -6.711 -1.660 -4.798 1.00 99.99 N ATOM 635 CA LEU B 38 -6.463 -2.998 -5.324 1.00 99.99 C ATOM 636 C LEU B 38 -7.577 -3.373 -6.291 1.00 99.99 C ATOM 637 O LEU B 38 -7.291 -3.882 -7.345 1.00 99.99 O ATOM 638 CB LEU B 38 -6.455 -4.078 -4.233 1.00 99.99 C ATOM 639 CG LEU B 38 -6.218 -5.506 -4.781 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.879 -5.616 -5.522 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.310 -6.567 -3.684 1.00 99.99 C ATOM 0 H LEU B 38 -7.015 -1.650 -3.824 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.483 -2.962 -5.800 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.678 -3.843 -3.505 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.407 -4.054 -3.702 1.00 99.99 H new ATOM 0 HG LEU B 38 -7.019 -5.697 -5.496 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.750 -6.633 -5.891 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.870 -4.921 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.065 -5.372 -4.840 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.137 -7.553 -4.116 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.557 -6.368 -2.921 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.301 -6.538 -3.232 1.00 99.99 H new ATOM 653 N ILE B 39 -8.754 -3.127 -5.917 1.00 99.99 N ATOM 654 CA ILE B 39 -9.919 -3.459 -6.731 1.00 99.99 C ATOM 655 C ILE B 39 -9.865 -2.667 -8.029 1.00 99.99 C ATOM 656 O ILE B 39 -10.120 -3.225 -9.067 1.00 99.99 O ATOM 657 CB ILE B 39 -11.247 -3.091 -6.055 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.470 -3.986 -4.816 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.415 -3.245 -7.051 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.680 -3.575 -3.965 1.00 99.99 C ATOM 0 H ILE B 39 -8.982 -2.682 -5.028 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.885 -4.537 -6.889 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.206 -2.050 -5.734 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.601 -5.017 -5.143 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.575 -3.960 -4.195 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.351 -2.981 -6.558 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.255 -2.585 -7.904 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.466 -4.278 -7.396 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.772 -4.249 -3.114 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.543 -2.555 -3.607 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.585 -3.629 -4.570 1.00 99.99 H new ATOM 672 N LEU B 40 -9.559 -1.448 -7.935 1.00 99.99 N ATOM 673 CA LEU B 40 -9.494 -0.566 -9.094 1.00 99.99 C ATOM 674 C LEU B 40 -8.431 -1.074 -10.056 1.00 99.99 C ATOM 675 O LEU B 40 -8.675 -1.100 -11.236 1.00 99.99 O ATOM 676 CB LEU B 40 -9.097 0.871 -8.731 1.00 99.99 C ATOM 677 CG LEU B 40 -10.163 1.684 -7.964 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.584 3.056 -7.569 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.451 1.873 -8.778 1.00 99.99 C ATOM 0 H LEU B 40 -9.336 -0.990 -7.051 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.493 -0.563 -9.531 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.189 0.837 -8.129 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.851 1.404 -9.649 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.426 1.119 -7.070 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.338 3.627 -7.028 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.711 2.913 -6.932 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.292 3.600 -8.467 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.168 2.451 -8.195 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.223 2.404 -9.702 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.877 0.898 -9.016 1.00 99.99 H new ATOM 691 N TRP B 41 -7.336 -1.440 -9.547 1.00 99.99 N ATOM 692 CA TRP B 41 -6.222 -1.922 -10.353 1.00 99.99 C ATOM 693 C TRP B 41 -6.612 -3.238 -11.011 1.00 99.99 C ATOM 694 O TRP B 41 -6.314 -3.429 -12.163 1.00 99.99 O ATOM 695 CB TRP B 41 -4.963 -2.208 -9.523 1.00 99.99 C ATOM 696 CG TRP B 41 -3.756 -2.610 -10.350 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.944 -1.789 -11.071 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.317 -3.955 -10.609 1.00 99.99 C ATOM 699 NE1 TRP B 41 -1.974 -2.517 -11.699 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.206 -3.851 -11.466 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.787 -5.194 -10.164 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.526 -4.985 -11.886 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.106 -6.333 -10.601 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.990 -6.237 -11.449 1.00 99.99 C ATOM 0 H TRP B 41 -7.148 -1.427 -8.545 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.003 -1.136 -11.075 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.713 -1.320 -8.943 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.183 -3.003 -8.810 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.051 -0.716 -11.137 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.205 -2.134 -12.249 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.642 -5.268 -9.509 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.663 -4.907 -12.531 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.444 -7.307 -10.280 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.483 -7.136 -11.768 1.00 99.99 H new ATOM 715 N ILE B 42 -7.227 -4.069 -10.286 1.00 99.99 N ATOM 716 CA ILE B 42 -7.637 -5.381 -10.779 1.00 99.99 C ATOM 717 C ILE B 42 -8.717 -5.204 -11.837 1.00 99.99 C ATOM 718 O ILE B 42 -8.666 -5.869 -12.841 1.00 99.99 O ATOM 719 CB ILE B 42 -8.245 -6.266 -9.685 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.144 -6.727 -8.702 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.958 -7.489 -10.300 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.680 -7.542 -7.515 1.00 99.99 C ATOM 0 H ILE B 42 -7.481 -3.891 -9.314 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.737 -5.858 -11.167 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.985 -5.679 -9.140 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.413 -7.328 -9.244 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.618 -5.851 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.381 -8.102 -9.504 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.756 -7.151 -10.961 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.241 -8.080 -10.870 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.851 -7.831 -6.868 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.389 -6.937 -6.949 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.181 -8.437 -7.885 1.00 99.99 H new ATOM 734 N LEU B 43 -9.621 -4.361 -11.586 1.00 99.99 N ATOM 735 CA LEU B 43 -10.730 -4.113 -12.500 1.00 99.99 C ATOM 736 C LEU B 43 -10.189 -3.555 -13.809 1.00 99.99 C ATOM 737 O LEU B 43 -10.729 -3.858 -14.842 1.00 99.99 O ATOM 738 CB LEU B 43 -11.722 -3.072 -11.964 1.00 99.99 C ATOM 739 CG LEU B 43 -12.555 -3.550 -10.751 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.312 -2.364 -10.126 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.543 -4.663 -11.133 1.00 99.99 C ATOM 0 H LEU B 43 -9.646 -3.796 -10.737 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.242 -5.067 -12.627 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.171 -2.175 -11.681 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.402 -2.788 -12.767 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.860 -3.964 -10.020 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.895 -2.713 -9.273 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.598 -1.611 -9.794 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.981 -1.927 -10.868 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.106 -4.968 -10.251 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.231 -4.294 -11.893 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.993 -5.518 -11.526 1.00 99.99 H new ATOM 753 N ASP B 44 -9.193 -2.785 -13.725 1.00 99.99 N ATOM 754 CA ASP B 44 -8.590 -2.159 -14.894 1.00 99.99 C ATOM 755 C ASP B 44 -7.916 -3.227 -15.746 1.00 99.99 C ATOM 756 O ASP B 44 -7.989 -3.150 -16.947 1.00 99.99 O ATOM 757 CB ASP B 44 -7.499 -1.141 -14.534 1.00 99.99 C ATOM 758 CG ASP B 44 -6.932 -0.422 -15.773 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.687 0.348 -16.412 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.714 -0.588 -16.080 1.00 99.99 O ATOM 0 H ASP B 44 -8.739 -2.544 -12.844 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.398 -1.648 -15.416 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.909 -0.402 -13.845 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.689 -1.650 -14.011 1.00 99.99 H new ATOM 765 N ARG B 45 -7.306 -4.140 -15.127 1.00 99.99 N ATOM 766 CA ARG B 45 -6.596 -5.212 -15.815 1.00 99.99 C ATOM 767 C ARG B 45 -7.595 -6.075 -16.572 1.00 99.99 C ATOM 768 O ARG B 45 -7.330 -6.432 -17.691 1.00 99.99 O ATOM 769 CB ARG B 45 -5.856 -6.152 -14.855 1.00 99.99 C ATOM 770 CG ARG B 45 -4.707 -5.471 -14.083 1.00 99.99 C ATOM 771 CD ARG B 45 -3.459 -5.235 -14.943 1.00 99.99 C ATOM 772 NE ARG B 45 -3.532 -3.847 -15.526 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.838 -3.516 -16.631 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.033 -4.398 -17.248 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.941 -2.260 -17.095 1.00 99.99 N ATOM 0 H ARG B 45 -7.262 -4.199 -14.110 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.874 -4.726 -16.471 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.569 -6.562 -14.140 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.454 -6.992 -15.421 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.057 -4.516 -13.692 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.438 -6.088 -13.225 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.558 -5.345 -14.340 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.402 -5.977 -15.739 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.118 -3.145 -15.075 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.937 -5.345 -16.880 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.518 -4.121 -18.084 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.534 -1.585 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.426 -1.981 -17.930 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.317 -6.478 -17.738 1.00 99.99 C ATOM 792 O LEU B 46 -10.988 -5.461 -17.570 1.00 99.99 O ATOM 793 CB LEU B 46 -10.839 -7.526 -15.590 1.00 99.99 C ATOM 794 CG LEU B 46 -10.479 -8.268 -14.279 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.717 -8.262 -13.362 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.996 -9.704 -14.507 1.00 99.99 C ATOM 0 H LEU B 46 -8.878 -6.049 -15.020 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.202 -8.138 -16.849 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.324 -6.587 -15.323 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.576 -8.125 -16.125 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.644 -7.742 -13.816 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.484 -8.781 -12.432 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -12.002 -7.233 -13.142 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.543 -8.768 -13.862 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.761 -10.165 -13.548 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.779 -10.277 -15.003 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.103 -9.693 -15.133 1.00 99.99 H new ATOM 809 N SER C 22 -0.597 -10.410 18.983 1.00 99.99 N ATOM 810 CA SER C 22 -1.253 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.594 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.450 -7.869 18.468 1.00 99.99 O ATOM 813 CB SER C 22 -2.515 -11.011 17.460 1.00 99.99 C ATOM 814 OG SER C 22 -3.539 -10.780 18.424 1.00 99.99 O ATOM 0 HA SER C 22 -0.531 -10.358 16.896 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.916 -10.828 16.463 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.220 -12.060 17.497 1.00 99.99 H new ATOM 0 HG SER C 22 -4.302 -11.366 18.237 1.00 99.99 H new ATOM 819 N SER C 23 -2.067 -8.272 16.322 1.00 99.99 N ATOM 820 CA SER C 23 -2.544 -6.942 16.028 1.00 99.99 C ATOM 821 C SER C 23 -3.965 -7.114 15.555 1.00 99.99 C ATOM 822 O SER C 23 -4.553 -8.182 15.722 1.00 99.99 O ATOM 823 CB SER C 23 -1.684 -6.221 14.961 1.00 99.99 C ATOM 824 OG SER C 23 -0.357 -6.041 15.438 1.00 99.99 O ATOM 0 H SER C 23 -2.119 -8.905 15.524 1.00 99.99 H new ATOM 0 HA SER C 23 -2.481 -6.310 16.914 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.671 -6.804 14.040 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.126 -5.254 14.720 1.00 99.99 H new ATOM 0 HG SER C 23 0.177 -5.586 14.754 1.00 99.99 H new ATOM 830 N ASP C 24 -4.567 -6.044 14.975 1.00 99.99 N ATOM 831 CA ASP C 24 -5.970 -6.009 14.602 1.00 99.99 C ATOM 832 C ASP C 24 -6.107 -6.537 13.190 1.00 99.99 C ATOM 833 O ASP C 24 -5.155 -6.405 12.428 1.00 99.99 O ATOM 834 CB ASP C 24 -6.549 -4.567 14.643 1.00 99.99 C ATOM 835 CG ASP C 24 -6.498 -3.979 16.057 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.411 -4.760 17.044 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.556 -2.725 16.166 1.00 99.99 O ATOM 0 H ASP C 24 -4.069 -5.180 14.759 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.523 -6.619 15.316 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.986 -3.929 13.962 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.580 -4.578 14.290 1.00 99.99 H new ATOM 842 N PRO C 25 -7.215 -7.154 12.773 1.00 99.99 N ATOM 843 CA PRO C 25 -7.252 -7.973 11.570 1.00 99.99 C ATOM 844 C PRO C 25 -7.249 -7.153 10.299 1.00 99.99 C ATOM 845 O PRO C 25 -6.862 -7.705 9.281 1.00 99.99 O ATOM 846 CB PRO C 25 -8.551 -8.787 11.693 1.00 99.99 C ATOM 847 CG PRO C 25 -9.431 -7.957 12.631 1.00 99.99 C ATOM 848 CD PRO C 25 -8.411 -7.349 13.590 1.00 99.99 C ATOM 0 HA PRO C 25 -6.363 -8.599 11.498 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.026 -8.927 10.722 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.361 -9.780 12.101 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -9.988 -7.191 12.092 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.162 -8.574 13.154 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.768 -6.406 14.004 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.213 -8.012 14.432 1.00 99.99 H new ATOM 856 N LEU C 26 -7.681 -5.872 10.338 1.00 99.99 N ATOM 857 CA LEU C 26 -7.644 -4.888 9.264 1.00 99.99 C ATOM 858 C LEU C 26 -6.201 -4.494 8.988 1.00 99.99 C ATOM 859 O LEU C 26 -5.834 -4.377 7.847 1.00 99.99 O ATOM 860 CB LEU C 26 -8.387 -3.591 9.614 1.00 99.99 C ATOM 861 CG LEU C 26 -8.214 -2.414 8.627 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.793 -2.714 7.242 1.00 99.99 C ATOM 863 CD2 LEU C 26 -8.836 -1.137 9.208 1.00 99.99 C ATOM 0 H LEU C 26 -8.092 -5.484 11.187 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.125 -5.357 8.406 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.450 -3.817 9.694 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.056 -3.263 10.599 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.143 -2.264 8.493 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.643 -1.853 6.591 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.289 -3.582 6.817 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.860 -2.921 7.331 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.707 -0.316 8.503 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -9.899 -1.299 9.386 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.344 -0.888 10.148 1.00 99.99 H new ATOM 875 N VAL C 27 -5.467 -4.305 9.998 1.00 99.99 N ATOM 876 CA VAL C 27 -4.070 -3.900 9.882 1.00 99.99 C ATOM 877 C VAL C 27 -3.256 -5.055 9.318 1.00 99.99 C ATOM 878 O VAL C 27 -2.465 -4.837 8.435 1.00 99.99 O ATOM 879 CB VAL C 27 -3.438 -3.544 11.234 1.00 99.99 C ATOM 880 CG1 VAL C 27 -1.935 -3.242 11.071 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.148 -2.307 11.826 1.00 99.99 C ATOM 0 H VAL C 27 -5.789 -4.419 10.959 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.059 -3.021 9.238 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.553 -4.395 11.905 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.507 -2.992 12.042 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.429 -4.119 10.666 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -1.805 -2.401 10.390 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -3.699 -2.055 12.786 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.041 -1.464 11.143 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.206 -2.528 11.967 1.00 99.99 H new ATOM 891 N VAL C 28 -3.460 -6.192 9.827 1.00 99.99 N ATOM 892 CA VAL C 28 -2.732 -7.381 9.401 1.00 99.99 C ATOM 893 C VAL C 28 -3.164 -7.757 7.992 1.00 99.99 C ATOM 894 O VAL C 28 -2.323 -8.061 7.183 1.00 99.99 O ATOM 895 CB VAL C 28 -3.016 -8.603 10.284 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.370 -9.877 9.701 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.491 -8.347 11.711 1.00 99.99 C ATOM 0 H VAL C 28 -4.141 -6.365 10.566 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.673 -7.132 9.465 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.094 -8.759 10.316 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.589 -10.725 10.349 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.773 -10.067 8.706 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.291 -9.740 9.635 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.695 -9.217 12.335 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.416 -8.168 11.677 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -2.991 -7.474 12.131 1.00 99.99 H new ATOM 907 N ALA C 29 -4.402 -7.736 7.757 1.00 99.99 N ATOM 908 CA ALA C 29 -4.959 -8.101 6.458 1.00 99.99 C ATOM 909 C ALA C 29 -4.404 -7.164 5.394 1.00 99.99 C ATOM 910 O ALA C 29 -4.062 -7.625 4.333 1.00 99.99 O ATOM 911 CB ALA C 29 -6.485 -7.962 6.402 1.00 99.99 C ATOM 0 H ALA C 29 -5.102 -7.466 8.448 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.687 -9.143 6.290 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.840 -8.247 5.412 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.937 -8.612 7.151 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.764 -6.928 6.603 1.00 99.99 H new ATOM 917 N ALA C 30 -4.343 -5.940 5.694 1.00 99.99 N ATOM 918 CA ALA C 30 -3.856 -4.932 4.761 1.00 99.99 C ATOM 919 C ALA C 30 -2.391 -5.195 4.450 1.00 99.99 C ATOM 920 O ALA C 30 -1.983 -4.989 3.333 1.00 99.99 O ATOM 921 CB ALA C 30 -3.927 -3.509 5.330 1.00 99.99 C ATOM 0 H ALA C 30 -4.626 -5.566 6.600 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.493 -5.001 3.879 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.551 -2.802 4.590 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -4.961 -3.265 5.572 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.319 -3.447 6.233 1.00 99.99 H new ATOM 927 N SER C 31 -1.682 -5.621 5.401 1.00 99.99 N ATOM 928 CA SER C 31 -0.256 -5.893 5.252 1.00 99.99 C ATOM 929 C SER C 31 -0.060 -6.989 4.215 1.00 99.99 C ATOM 930 O SER C 31 0.772 -6.840 3.355 1.00 99.99 O ATOM 931 CB SER C 31 0.396 -6.397 6.545 1.00 99.99 C ATOM 932 OG SER C 31 0.382 -5.383 7.549 1.00 99.99 O ATOM 0 H SER C 31 -2.045 -5.806 6.336 1.00 99.99 H new ATOM 0 HA SER C 31 0.207 -4.949 4.963 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.134 -7.279 6.905 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.423 -6.702 6.345 1.00 99.99 H new ATOM 0 HG SER C 31 -0.542 -5.212 7.828 1.00 99.99 H new ATOM 938 N ILE C 32 -0.791 -8.011 4.329 1.00 99.99 N ATOM 939 CA ILE C 32 -0.691 -9.148 3.422 1.00 99.99 C ATOM 940 C ILE C 32 -1.098 -8.715 2.021 1.00 99.99 C ATOM 941 O ILE C 32 -0.503 -9.157 1.074 1.00 99.99 O ATOM 942 CB ILE C 32 -1.624 -10.303 3.807 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.193 -10.907 5.163 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.625 -11.397 2.719 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.265 -11.813 5.784 1.00 99.99 C ATOM 0 H ILE C 32 -1.499 -8.119 5.055 1.00 99.99 H new ATOM 0 HA ILE C 32 0.343 -9.489 3.474 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.636 -9.907 3.897 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.277 -11.480 5.024 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.961 -10.099 5.857 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.294 -12.205 3.016 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.966 -10.971 1.775 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.615 -11.789 2.596 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.903 -12.206 6.734 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.175 -11.237 5.953 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.479 -12.640 5.107 1.00 99.99 H new ATOM 957 N ILE C 33 -2.062 -7.905 1.942 1.00 99.99 N ATOM 958 CA ILE C 33 -2.578 -7.425 0.665 1.00 99.99 C ATOM 959 C ILE C 33 -1.477 -6.675 -0.073 1.00 99.99 C ATOM 960 O ILE C 33 -1.295 -6.904 -1.241 1.00 99.99 O ATOM 961 CB ILE C 33 -3.742 -6.437 0.821 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.048 -7.244 1.027 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.866 -5.490 -0.386 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.227 -6.427 1.568 1.00 99.99 C ATOM 0 H ILE C 33 -2.549 -7.528 2.755 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.926 -8.307 0.127 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.552 -5.804 1.688 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.338 -7.689 0.075 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.847 -8.065 1.715 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.703 -4.810 -0.230 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.946 -4.915 -0.493 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.037 -6.074 -1.291 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.097 -7.074 1.680 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.962 -6.004 2.537 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.461 -5.621 0.872 1.00 99.99 H new ATOM 976 N GLY C 34 -0.813 -5.842 0.603 1.00 99.99 N ATOM 977 CA GLY C 34 0.255 -5.037 0.017 1.00 99.99 C ATOM 978 C GLY C 34 1.394 -5.947 -0.412 1.00 99.99 C ATOM 979 O GLY C 34 1.984 -5.703 -1.435 1.00 99.99 O ATOM 0 H GLY C 34 -0.968 -5.669 1.596 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.123 -4.480 -0.840 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.613 -4.305 0.741 1.00 99.99 H new ATOM 983 N ILE C 35 1.333 -7.211 -0.024 1.00 99.99 N ATOM 984 CA ILE C 35 2.349 -8.115 -0.555 1.00 99.99 C ATOM 985 C ILE C 35 1.803 -8.819 -1.786 1.00 99.99 C ATOM 986 O ILE C 35 2.493 -8.894 -2.771 1.00 99.99 O ATOM 987 CB ILE C 35 2.743 -9.217 0.436 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.304 -8.595 1.740 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.790 -10.151 -0.209 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.438 -9.571 2.913 1.00 99.99 C ATOM 0 H ILE C 35 0.645 -7.617 0.610 1.00 99.99 H new ATOM 0 HA ILE C 35 3.222 -7.500 -0.773 1.00 99.99 H new ATOM 0 HB ILE C 35 1.857 -9.800 0.688 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.284 -8.166 1.529 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.655 -7.773 2.042 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.066 -10.932 0.499 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.368 -10.606 -1.105 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.675 -9.575 -0.477 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.838 -9.045 3.780 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.459 -9.982 3.158 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.113 -10.381 2.637 1.00 99.99 H new ATOM 1002 N LEU C 36 0.637 -9.293 -1.695 1.00 99.99 N ATOM 1003 CA LEU C 36 0.001 -10.018 -2.790 1.00 99.99 C ATOM 1004 C LEU C 36 -0.120 -9.098 -3.997 1.00 99.99 C ATOM 1005 O LEU C 36 0.154 -9.527 -5.088 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.422 -10.479 -2.453 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.200 -11.136 -3.613 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.517 -12.431 -4.075 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.659 -11.397 -3.220 1.00 99.99 C ATOM 0 H LEU C 36 0.057 -9.207 -0.861 1.00 99.99 H new ATOM 0 HA LEU C 36 0.624 -10.891 -2.983 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.369 -11.188 -1.627 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.990 -9.618 -2.099 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.197 -10.439 -4.451 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -2.087 -12.871 -4.893 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.506 -12.207 -4.417 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.472 -13.135 -3.244 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.184 -11.860 -4.056 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.690 -12.063 -2.358 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.142 -10.453 -2.967 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.553 -7.832 -3.806 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.768 -6.868 -4.858 1.00 99.99 C ATOM 1023 C HIS C 37 0.536 -6.551 -5.538 1.00 99.99 C ATOM 1024 O HIS C 37 0.560 -6.202 -6.716 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.382 -5.557 -4.310 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.808 -4.580 -5.375 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -2.062 -3.263 -5.105 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -2.067 -4.773 -6.690 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.454 -2.674 -6.227 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.464 -3.569 -7.204 1.00 99.99 N ATOM 0 H HIS C 37 -0.763 -7.462 -2.879 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.467 -7.308 -5.570 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.246 -5.804 -3.693 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.654 -5.073 -3.659 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.977 -5.703 -7.232 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.722 -1.633 -6.328 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.724 -3.391 -8.174 1.00 99.99 H new ATOM 1038 N LEU C 38 1.660 -6.711 -4.798 1.00 99.99 N ATOM 1039 CA LEU C 38 2.998 -6.463 -5.324 1.00 99.99 C ATOM 1040 C LEU C 38 3.373 -7.577 -6.291 1.00 99.99 C ATOM 1041 O LEU C 38 3.882 -7.291 -7.345 1.00 99.99 O ATOM 1042 CB LEU C 38 4.078 -6.455 -4.233 1.00 99.99 C ATOM 1043 CG LEU C 38 5.506 -6.218 -4.781 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.616 -4.879 -5.522 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.567 -6.310 -3.684 1.00 99.99 C ATOM 0 H LEU C 38 1.650 -7.015 -3.824 1.00 99.99 H new ATOM 0 HA LEU C 38 2.962 -5.483 -5.800 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.843 -5.678 -3.505 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.054 -7.407 -3.702 1.00 99.99 H new ATOM 0 HG LEU C 38 5.697 -7.019 -5.496 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.633 -4.750 -5.891 1.00 99.99 H new ATOM 0 HD12 LEU C 38 4.921 -4.870 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.372 -4.065 -4.840 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.553 -6.137 -4.116 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.368 -5.557 -2.921 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.538 -7.301 -3.232 1.00 99.99 H new ATOM 1057 N ILE C 39 3.127 -8.754 -5.917 1.00 99.99 N ATOM 1058 CA ILE C 39 3.459 -9.919 -6.731 1.00 99.99 C ATOM 1059 C ILE C 39 2.667 -9.865 -8.029 1.00 99.99 C ATOM 1060 O ILE C 39 3.225 -10.120 -9.067 1.00 99.99 O ATOM 1061 CB ILE C 39 3.091 -11.247 -6.055 1.00 99.99 C ATOM 1062 CG1 ILE C 39 3.986 -11.470 -4.816 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.245 -12.415 -7.051 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.575 -12.680 -3.965 1.00 99.99 C ATOM 0 H ILE C 39 2.682 -8.982 -5.028 1.00 99.99 H new ATOM 0 HA ILE C 39 4.537 -9.885 -6.889 1.00 99.99 H new ATOM 0 HB ILE C 39 2.050 -11.206 -5.734 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.017 -11.601 -5.143 1.00 99.99 H new ATOM 0 HG13 ILE C 39 3.960 -10.575 -4.195 1.00 99.99 H new ATOM 0 HG21 ILE C 39 2.981 -13.351 -6.558 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.585 -12.255 -7.904 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.278 -12.466 -7.396 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.249 -12.772 -3.114 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.555 -12.543 -3.607 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.629 -13.585 -4.570 1.00 99.99 H new ATOM 1076 N LEU C 40 1.448 -9.559 -7.935 1.00 99.99 N ATOM 1077 CA LEU C 40 0.566 -9.494 -9.094 1.00 99.99 C ATOM 1078 C LEU C 40 1.074 -8.431 -10.056 1.00 99.99 C ATOM 1079 O LEU C 40 1.100 -8.675 -11.236 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.871 -9.097 -8.731 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.684 -10.163 -7.964 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -3.056 -9.584 -7.569 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.873 -11.451 -8.778 1.00 99.99 C ATOM 0 H LEU C 40 0.990 -9.336 -7.051 1.00 99.99 H new ATOM 0 HA LEU C 40 0.563 -10.493 -9.531 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.837 -8.189 -8.129 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.404 -8.851 -9.649 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.119 -10.426 -7.070 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.627 -10.338 -7.028 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.913 -8.711 -6.932 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.600 -9.292 -8.467 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.451 -12.168 -8.195 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.404 -11.223 -9.702 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.898 -11.877 -9.016 1.00 99.99 H new ATOM 1095 N TRP C 41 1.440 -7.336 -9.547 1.00 99.99 N ATOM 1096 CA TRP C 41 1.922 -6.222 -10.353 1.00 99.99 C ATOM 1097 C TRP C 41 3.238 -6.612 -11.011 1.00 99.99 C ATOM 1098 O TRP C 41 3.429 -6.314 -12.163 1.00 99.99 O ATOM 1099 CB TRP C 41 2.208 -4.963 -9.523 1.00 99.99 C ATOM 1100 CG TRP C 41 2.610 -3.756 -10.350 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.789 -2.944 -11.071 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.955 -3.317 -10.609 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.517 -1.974 -11.699 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.851 -2.206 -11.466 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.194 -3.787 -10.164 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.985 -1.526 -11.886 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.333 -3.106 -10.601 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.237 -1.990 -11.449 1.00 99.99 C ATOM 0 H TRP C 41 1.427 -7.148 -8.545 1.00 99.99 H new ATOM 0 HA TRP C 41 1.136 -6.003 -11.075 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.320 -4.713 -8.943 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.003 -5.183 -8.810 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.716 -3.051 -11.137 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.134 -1.205 -12.249 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.268 -4.642 -9.509 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.907 -0.663 -12.531 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.307 -3.444 -10.280 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.136 -1.483 -11.768 1.00 99.99 H new ATOM 1119 N ILE C 42 4.069 -7.227 -10.286 1.00 99.99 N ATOM 1120 CA ILE C 42 5.381 -7.637 -10.779 1.00 99.99 C ATOM 1121 C ILE C 42 5.204 -8.717 -11.837 1.00 99.99 C ATOM 1122 O ILE C 42 5.869 -8.666 -12.841 1.00 99.99 O ATOM 1123 CB ILE C 42 6.266 -8.245 -9.685 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.727 -7.144 -8.702 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.489 -8.958 -10.300 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.542 -7.680 -7.515 1.00 99.99 C ATOM 0 H ILE C 42 3.891 -7.481 -9.314 1.00 99.99 H new ATOM 0 HA ILE C 42 5.858 -6.737 -11.167 1.00 99.99 H new ATOM 0 HB ILE C 42 5.679 -8.985 -9.140 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.328 -6.413 -9.244 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.851 -6.618 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.102 -9.381 -9.504 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.151 -9.756 -10.961 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.080 -8.241 -10.870 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.831 -6.851 -6.868 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.937 -8.389 -6.949 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.437 -8.181 -7.885 1.00 99.99 H new ATOM 1138 N LEU C 43 4.361 -9.621 -11.586 1.00 99.99 N ATOM 1139 CA LEU C 43 4.113 -10.730 -12.500 1.00 99.99 C ATOM 1140 C LEU C 43 3.555 -10.189 -13.809 1.00 99.99 C ATOM 1141 O LEU C 43 3.858 -10.729 -14.842 1.00 99.99 O ATOM 1142 CB LEU C 43 3.072 -11.722 -11.964 1.00 99.99 C ATOM 1143 CG LEU C 43 3.550 -12.555 -10.751 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.364 -13.312 -10.126 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.663 -13.543 -11.133 1.00 99.99 C ATOM 0 H LEU C 43 3.796 -9.646 -10.737 1.00 99.99 H new ATOM 0 HA LEU C 43 5.067 -11.242 -12.627 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.175 -11.171 -11.681 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.788 -12.402 -12.767 1.00 99.99 H new ATOM 0 HG LEU C 43 3.964 -11.860 -10.020 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.713 -13.895 -9.273 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.611 -12.598 -9.794 1.00 99.99 H new ATOM 0 HD13 LEU C 43 1.927 -13.981 -10.868 1.00 99.99 H new ATOM 0 HD21 LEU C 43 4.968 -14.106 -10.251 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.294 -14.231 -11.893 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.518 -12.993 -11.526 1.00 99.99 H new ATOM 1157 N ASP C 44 2.785 -9.193 -13.725 1.00 99.99 N ATOM 1158 CA ASP C 44 2.159 -8.590 -14.894 1.00 99.99 C ATOM 1159 C ASP C 44 3.227 -7.916 -15.746 1.00 99.99 C ATOM 1160 O ASP C 44 3.150 -7.989 -16.947 1.00 99.99 O ATOM 1161 CB ASP C 44 1.141 -7.499 -14.534 1.00 99.99 C ATOM 1162 CG ASP C 44 0.422 -6.932 -15.773 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.348 -7.687 -16.412 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.588 -5.714 -16.080 1.00 99.99 O ATOM 0 H ASP C 44 2.544 -8.739 -12.844 1.00 99.99 H new ATOM 0 HA ASP C 44 1.648 -9.398 -15.416 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.402 -7.909 -13.845 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.650 -6.689 -14.011 1.00 99.99 H new ATOM 1169 N ARG C 45 4.140 -7.306 -15.127 1.00 99.99 N ATOM 1170 CA ARG C 45 5.212 -6.596 -15.815 1.00 99.99 C ATOM 1171 C ARG C 45 6.075 -7.595 -16.572 1.00 99.99 C ATOM 1172 O ARG C 45 6.432 -7.330 -17.691 1.00 99.99 O ATOM 1173 CB ARG C 45 6.152 -5.856 -14.855 1.00 99.99 C ATOM 1174 CG ARG C 45 5.471 -4.707 -14.083 1.00 99.99 C ATOM 1175 CD ARG C 45 5.235 -3.459 -14.943 1.00 99.99 C ATOM 1176 NE ARG C 45 3.847 -3.532 -15.526 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.516 -2.838 -16.631 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.398 -2.033 -17.248 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.260 -2.941 -17.095 1.00 99.99 N ATOM 0 H ARG C 45 4.199 -7.262 -14.110 1.00 99.99 H new ATOM 0 HA ARG C 45 4.726 -5.874 -16.471 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.562 -6.569 -14.140 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.992 -5.454 -15.421 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.516 -5.057 -13.692 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.088 -4.438 -13.225 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.345 -2.558 -14.340 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.977 -3.402 -15.739 1.00 99.99 H new ATOM 0 HE ARG C 45 3.145 -4.118 -15.075 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.345 -1.937 -16.880 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.121 -1.518 -18.084 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.585 -3.534 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.981 -2.426 -17.930 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.478 -10.317 -17.738 1.00 99.99 C ATOM 1196 O LEU C 46 5.461 -10.988 -17.570 1.00 99.99 O ATOM 1197 CB LEU C 46 7.526 -10.839 -15.590 1.00 99.99 C ATOM 1198 CG LEU C 46 8.268 -10.479 -14.279 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.262 -11.717 -13.362 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.704 -9.996 -14.507 1.00 99.99 C ATOM 0 H LEU C 46 6.049 -8.878 -15.020 1.00 99.99 H new ATOM 0 HA LEU C 46 8.138 -9.202 -16.849 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.587 -11.324 -15.323 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.125 -11.576 -16.125 1.00 99.99 H new ATOM 0 HG LEU C 46 7.742 -9.644 -13.816 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.781 -11.484 -12.432 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.233 -12.002 -13.142 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.768 -12.543 -13.862 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.165 -9.761 -13.548 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.277 -10.779 -15.003 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.693 -9.103 -15.133 1.00 99.99 H new ATOM 1213 N SER D 22 10.410 -0.597 18.983 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.253 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.594 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.869 -1.450 18.468 1.00 99.99 O ATOM 1217 CB SER D 22 11.011 -2.515 17.460 1.00 99.99 C ATOM 1218 OG SER D 22 10.780 -3.539 18.424 1.00 99.99 O ATOM 0 HA SER D 22 10.358 -0.531 16.896 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.828 -2.916 16.463 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.060 -2.220 17.497 1.00 99.99 H new ATOM 0 HG SER D 22 11.366 -4.302 18.237 1.00 99.99 H new ATOM 1223 N SER D 23 8.272 -2.067 16.322 1.00 99.99 N ATOM 1224 CA SER D 23 6.942 -2.544 16.028 1.00 99.99 C ATOM 1225 C SER D 23 7.114 -3.965 15.555 1.00 99.99 C ATOM 1226 O SER D 23 8.182 -4.553 15.722 1.00 99.99 O ATOM 1227 CB SER D 23 6.221 -1.684 14.961 1.00 99.99 C ATOM 1228 OG SER D 23 6.041 -0.357 15.438 1.00 99.99 O ATOM 0 H SER D 23 8.905 -2.119 15.524 1.00 99.99 H new ATOM 0 HA SER D 23 6.310 -2.481 16.914 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.804 -1.671 14.040 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.254 -2.126 14.720 1.00 99.99 H new ATOM 0 HG SER D 23 5.586 0.177 14.754 1.00 99.99 H new ATOM 1234 N ASP D 24 6.044 -4.567 14.975 1.00 99.99 N ATOM 1235 CA ASP D 24 6.009 -5.970 14.602 1.00 99.99 C ATOM 1236 C ASP D 24 6.537 -6.107 13.190 1.00 99.99 C ATOM 1237 O ASP D 24 6.405 -5.155 12.428 1.00 99.99 O ATOM 1238 CB ASP D 24 4.567 -6.549 14.643 1.00 99.99 C ATOM 1239 CG ASP D 24 3.979 -6.498 16.057 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.760 -6.411 17.044 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.725 -6.556 16.166 1.00 99.99 O ATOM 0 H ASP D 24 5.180 -4.069 14.759 1.00 99.99 H new ATOM 0 HA ASP D 24 6.619 -6.523 15.316 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.929 -5.986 13.962 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.578 -7.580 14.290 1.00 99.99 H new ATOM 1246 N PRO D 25 7.154 -7.215 12.773 1.00 99.99 N ATOM 1247 CA PRO D 25 7.973 -7.252 11.570 1.00 99.99 C ATOM 1248 C PRO D 25 7.153 -7.249 10.299 1.00 99.99 C ATOM 1249 O PRO D 25 7.705 -6.862 9.281 1.00 99.99 O ATOM 1250 CB PRO D 25 8.787 -8.551 11.693 1.00 99.99 C ATOM 1251 CG PRO D 25 7.957 -9.431 12.631 1.00 99.99 C ATOM 1252 CD PRO D 25 7.349 -8.411 13.590 1.00 99.99 C ATOM 0 HA PRO D 25 8.599 -6.363 11.498 1.00 99.99 H new ATOM 0 HB2 PRO D 25 8.927 -9.026 10.722 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.780 -8.361 12.101 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.191 -9.988 12.092 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.574 -10.162 13.154 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.406 -8.768 14.004 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.012 -8.213 14.432 1.00 99.99 H new ATOM 1260 N LEU D 26 5.872 -7.681 10.338 1.00 99.99 N ATOM 1261 CA LEU D 26 4.888 -7.644 9.264 1.00 99.99 C ATOM 1262 C LEU D 26 4.494 -6.201 8.988 1.00 99.99 C ATOM 1263 O LEU D 26 4.377 -5.834 7.847 1.00 99.99 O ATOM 1264 CB LEU D 26 3.591 -8.387 9.614 1.00 99.99 C ATOM 1265 CG LEU D 26 2.414 -8.214 8.627 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.714 -8.793 7.242 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.137 -8.836 9.208 1.00 99.99 C ATOM 0 H LEU D 26 5.484 -8.092 11.187 1.00 99.99 H new ATOM 0 HA LEU D 26 5.357 -8.125 8.406 1.00 99.99 H new ATOM 0 HB2 LEU D 26 3.817 -9.450 9.694 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.263 -8.056 10.599 1.00 99.99 H new ATOM 0 HG LEU D 26 2.264 -7.143 8.493 1.00 99.99 H new ATOM 0 HD11 LEU D 26 1.853 -8.643 6.591 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.582 -8.289 6.817 1.00 99.99 H new ATOM 0 HD13 LEU D 26 2.921 -9.860 7.331 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.316 -8.707 8.503 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.299 -9.899 9.386 1.00 99.99 H new ATOM 0 HD23 LEU D 26 0.888 -8.344 10.148 1.00 99.99 H new ATOM 1279 N VAL D 27 4.305 -5.467 9.998 1.00 99.99 N ATOM 1280 CA VAL D 27 3.900 -4.070 9.882 1.00 99.99 C ATOM 1281 C VAL D 27 5.055 -3.256 9.318 1.00 99.99 C ATOM 1282 O VAL D 27 4.837 -2.465 8.435 1.00 99.99 O ATOM 1283 CB VAL D 27 3.544 -3.438 11.234 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.242 -1.935 11.071 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.307 -4.148 11.826 1.00 99.99 C ATOM 0 H VAL D 27 4.419 -5.789 10.959 1.00 99.99 H new ATOM 0 HA VAL D 27 3.021 -4.059 9.238 1.00 99.99 H new ATOM 0 HB VAL D 27 4.395 -3.553 11.905 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.992 -1.507 12.042 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.119 -1.429 10.666 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.401 -1.805 10.390 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.055 -3.699 12.786 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.464 -4.041 11.143 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.528 -5.206 11.967 1.00 99.99 H new ATOM 1295 N VAL D 28 6.192 -3.460 9.827 1.00 99.99 N ATOM 1296 CA VAL D 28 7.381 -2.732 9.401 1.00 99.99 C ATOM 1297 C VAL D 28 7.757 -3.164 7.992 1.00 99.99 C ATOM 1298 O VAL D 28 8.061 -2.323 7.183 1.00 99.99 O ATOM 1299 CB VAL D 28 8.603 -3.016 10.284 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.877 -2.370 9.701 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.347 -2.491 11.711 1.00 99.99 C ATOM 0 H VAL D 28 6.365 -4.141 10.566 1.00 99.99 H new ATOM 0 HA VAL D 28 7.132 -1.673 9.465 1.00 99.99 H new ATOM 0 HB VAL D 28 8.759 -4.094 10.316 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.725 -2.589 10.349 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.067 -2.773 8.706 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.740 -1.291 9.635 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.217 -2.695 12.335 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.168 -1.416 11.677 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.474 -2.991 12.131 1.00 99.99 H new ATOM 1311 N ALA D 29 7.736 -4.402 7.757 1.00 99.99 N ATOM 1312 CA ALA D 29 8.101 -4.959 6.458 1.00 99.99 C ATOM 1313 C ALA D 29 7.164 -4.404 5.394 1.00 99.99 C ATOM 1314 O ALA D 29 7.625 -4.062 4.333 1.00 99.99 O ATOM 1315 CB ALA D 29 7.962 -6.485 6.402 1.00 99.99 C ATOM 0 H ALA D 29 7.466 -5.102 8.448 1.00 99.99 H new ATOM 0 HA ALA D 29 9.143 -4.687 6.290 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.247 -6.840 5.412 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.612 -6.937 7.151 1.00 99.99 H new ATOM 0 HB3 ALA D 29 6.928 -6.764 6.603 1.00 99.99 H new ATOM 1321 N ALA D 30 5.940 -4.343 5.694 1.00 99.99 N ATOM 1322 CA ALA D 30 4.932 -3.856 4.761 1.00 99.99 C ATOM 1323 C ALA D 30 5.195 -2.391 4.450 1.00 99.99 C ATOM 1324 O ALA D 30 4.989 -1.983 3.333 1.00 99.99 O ATOM 1325 CB ALA D 30 3.509 -3.927 5.330 1.00 99.99 C ATOM 0 H ALA D 30 5.566 -4.626 6.600 1.00 99.99 H new ATOM 0 HA ALA D 30 5.001 -4.493 3.879 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.802 -3.551 4.590 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.265 -4.961 5.572 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.447 -3.319 6.233 1.00 99.99 H new ATOM 1331 N SER D 31 5.621 -1.682 5.401 1.00 99.99 N ATOM 1332 CA SER D 31 5.893 -0.256 5.252 1.00 99.99 C ATOM 1333 C SER D 31 6.989 -0.060 4.215 1.00 99.99 C ATOM 1334 O SER D 31 6.840 0.772 3.355 1.00 99.99 O ATOM 1335 CB SER D 31 6.397 0.396 6.545 1.00 99.99 C ATOM 1336 OG SER D 31 5.383 0.382 7.549 1.00 99.99 O ATOM 0 H SER D 31 5.806 -2.045 6.336 1.00 99.99 H new ATOM 0 HA SER D 31 4.949 0.207 4.963 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.279 -0.134 6.905 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.702 1.423 6.345 1.00 99.99 H new ATOM 0 HG SER D 31 5.223 -0.540 7.840 1.00 99.99 H new ATOM 1342 N ILE D 32 8.011 -0.791 4.329 1.00 99.99 N ATOM 1343 CA ILE D 32 9.148 -0.691 3.422 1.00 99.99 C ATOM 1344 C ILE D 32 8.715 -1.098 2.021 1.00 99.99 C ATOM 1345 O ILE D 32 9.157 -0.503 1.074 1.00 99.99 O ATOM 1346 CB ILE D 32 10.303 -1.624 3.807 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.907 -1.193 5.163 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.397 -1.625 2.719 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.813 -2.265 5.784 1.00 99.99 C ATOM 0 H ILE D 32 8.119 -1.499 5.055 1.00 99.99 H new ATOM 0 HA ILE D 32 9.489 0.343 3.474 1.00 99.99 H new ATOM 0 HB ILE D 32 9.907 -2.636 3.897 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.480 -0.277 5.024 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.099 -0.961 5.857 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.205 -2.294 3.016 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.971 -1.966 1.775 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.789 -0.615 2.596 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.206 -1.903 6.734 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.237 -3.175 5.953 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.640 -2.479 5.107 1.00 99.99 H new ATOM 1361 N ILE D 33 7.905 -2.062 1.942 1.00 99.99 N ATOM 1362 CA ILE D 33 7.425 -2.578 0.665 1.00 99.99 C ATOM 1363 C ILE D 33 6.675 -1.477 -0.073 1.00 99.99 C ATOM 1364 O ILE D 33 6.904 -1.295 -1.241 1.00 99.99 O ATOM 1365 CB ILE D 33 6.437 -3.742 0.821 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.244 -5.048 1.027 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.490 -3.866 -0.386 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.427 -6.227 1.568 1.00 99.99 C ATOM 0 H ILE D 33 7.528 -2.549 2.755 1.00 99.99 H new ATOM 0 HA ILE D 33 8.307 -2.926 0.127 1.00 99.99 H new ATOM 0 HB ILE D 33 5.804 -3.552 1.688 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.689 -5.338 0.075 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.065 -4.847 1.715 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.810 -4.703 -0.230 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.915 -2.946 -0.493 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.074 -4.037 -1.291 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.074 -7.097 1.680 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.004 -5.962 2.537 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.621 -6.461 0.872 1.00 99.99 H new ATOM 1380 N GLY D 34 5.842 -0.813 0.603 1.00 99.99 N ATOM 1381 CA GLY D 34 5.037 0.255 0.017 1.00 99.99 C ATOM 1382 C GLY D 34 5.947 1.394 -0.412 1.00 99.99 C ATOM 1383 O GLY D 34 5.703 1.984 -1.435 1.00 99.99 O ATOM 0 H GLY D 34 5.669 -0.968 1.596 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.480 -0.123 -0.840 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.305 0.613 0.741 1.00 99.99 H new ATOM 1387 N ILE D 35 7.211 1.333 -0.024 1.00 99.99 N ATOM 1388 CA ILE D 35 8.115 2.349 -0.555 1.00 99.99 C ATOM 1389 C ILE D 35 8.819 1.803 -1.786 1.00 99.99 C ATOM 1390 O ILE D 35 8.894 2.493 -2.771 1.00 99.99 O ATOM 1391 CB ILE D 35 9.217 2.743 0.436 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.595 3.304 1.740 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.151 3.790 -0.209 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.571 3.438 2.913 1.00 99.99 C ATOM 0 H ILE D 35 7.617 0.645 0.610 1.00 99.99 H new ATOM 0 HA ILE D 35 7.500 3.222 -0.773 1.00 99.99 H new ATOM 0 HB ILE D 35 9.800 1.857 0.688 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.166 4.284 1.529 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.773 2.655 2.042 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.932 4.066 0.499 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.606 3.368 -1.105 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.575 4.675 -0.477 1.00 99.99 H new ATOM 0 HD11 ILE D 35 9.045 3.838 3.780 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.982 2.459 3.158 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.381 4.113 2.637 1.00 99.99 H new ATOM 1406 N LEU D 36 9.293 0.637 -1.695 1.00 99.99 N ATOM 1407 CA LEU D 36 10.018 0.001 -2.790 1.00 99.99 C ATOM 1408 C LEU D 36 9.098 -0.120 -3.997 1.00 99.99 C ATOM 1409 O LEU D 36 9.527 0.154 -5.088 1.00 99.99 O ATOM 1410 CB LEU D 36 10.479 -1.422 -2.453 1.00 99.99 C ATOM 1411 CG LEU D 36 11.136 -2.200 -3.613 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.431 -1.517 -4.075 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.397 -3.659 -3.220 1.00 99.99 C ATOM 0 H LEU D 36 9.207 0.057 -0.861 1.00 99.99 H new ATOM 0 HA LEU D 36 10.891 0.624 -2.983 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.188 -1.369 -1.627 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.618 -1.990 -2.099 1.00 99.99 H new ATOM 0 HG LEU D 36 10.439 -2.197 -4.451 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.871 -2.087 -4.893 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.207 -0.506 -4.417 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.135 -1.472 -3.244 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.860 -4.184 -4.056 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.063 -3.690 -2.358 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.453 -4.142 -2.967 1.00 99.99 H new ATOM 1425 N HIS D 37 7.832 -0.553 -3.806 1.00 99.99 N ATOM 1426 CA HIS D 37 6.868 -0.768 -4.858 1.00 99.99 C ATOM 1427 C HIS D 37 6.551 0.536 -5.538 1.00 99.99 C ATOM 1428 O HIS D 37 6.202 0.560 -6.716 1.00 99.99 O ATOM 1429 CB HIS D 37 5.557 -1.382 -4.310 1.00 99.99 C ATOM 1430 CG HIS D 37 4.580 -1.808 -5.375 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.263 -2.062 -5.105 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.773 -2.067 -6.690 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.674 -2.454 -6.227 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.569 -2.464 -7.204 1.00 99.99 N ATOM 0 H HIS D 37 7.462 -0.763 -2.879 1.00 99.99 H new ATOM 0 HA HIS D 37 7.308 -1.467 -5.570 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.804 -2.246 -3.693 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.073 -0.654 -3.659 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.703 -1.977 -7.232 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.633 -2.722 -6.328 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.391 -2.724 -8.174 1.00 99.99 H new ATOM 1442 N LEU D 38 6.711 1.660 -4.798 1.00 99.99 N ATOM 1443 CA LEU D 38 6.463 2.998 -5.324 1.00 99.99 C ATOM 1444 C LEU D 38 7.577 3.373 -6.291 1.00 99.99 C ATOM 1445 O LEU D 38 7.291 3.882 -7.345 1.00 99.99 O ATOM 1446 CB LEU D 38 6.455 4.078 -4.233 1.00 99.99 C ATOM 1447 CG LEU D 38 6.218 5.506 -4.781 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.879 5.616 -5.522 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.310 6.567 -3.684 1.00 99.99 C ATOM 0 H LEU D 38 7.015 1.650 -3.824 1.00 99.99 H new ATOM 0 HA LEU D 38 5.483 2.962 -5.800 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.678 3.843 -3.505 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.407 4.054 -3.702 1.00 99.99 H new ATOM 0 HG LEU D 38 7.019 5.697 -5.496 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.750 6.633 -5.891 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.870 4.921 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.065 5.372 -4.840 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.137 7.553 -4.116 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.557 6.368 -2.921 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.301 6.538 -3.232 1.00 99.99 H new ATOM 1461 N ILE D 39 8.754 3.127 -5.917 1.00 99.99 N ATOM 1462 CA ILE D 39 9.919 3.459 -6.731 1.00 99.99 C ATOM 1463 C ILE D 39 9.865 2.667 -8.029 1.00 99.99 C ATOM 1464 O ILE D 39 10.120 3.225 -9.067 1.00 99.99 O ATOM 1465 CB ILE D 39 11.247 3.091 -6.055 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.470 3.986 -4.816 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.415 3.245 -7.051 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.680 3.575 -3.965 1.00 99.99 C ATOM 0 H ILE D 39 8.982 2.682 -5.028 1.00 99.99 H new ATOM 0 HA ILE D 39 9.885 4.537 -6.889 1.00 99.99 H new ATOM 0 HB ILE D 39 11.206 2.050 -5.734 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.601 5.017 -5.143 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.575 3.960 -4.195 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.351 2.981 -6.558 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.255 2.585 -7.904 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.466 4.278 -7.396 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.772 4.249 -3.114 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.543 2.555 -3.607 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.585 3.629 -4.570 1.00 99.99 H new ATOM 1480 N LEU D 40 9.559 1.448 -7.935 1.00 99.99 N ATOM 1481 CA LEU D 40 9.494 0.566 -9.094 1.00 99.99 C ATOM 1482 C LEU D 40 8.431 1.074 -10.056 1.00 99.99 C ATOM 1483 O LEU D 40 8.675 1.100 -11.236 1.00 99.99 O ATOM 1484 CB LEU D 40 9.097 -0.871 -8.731 1.00 99.99 C ATOM 1485 CG LEU D 40 10.163 -1.684 -7.964 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.584 -3.056 -7.569 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.451 -1.873 -8.778 1.00 99.99 C ATOM 0 H LEU D 40 9.336 0.990 -7.051 1.00 99.99 H new ATOM 0 HA LEU D 40 10.493 0.563 -9.531 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.189 -0.837 -8.129 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.851 -1.404 -9.649 1.00 99.99 H new ATOM 0 HG LEU D 40 10.426 -1.119 -7.070 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.338 -3.627 -7.028 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.711 -2.913 -6.932 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.292 -3.600 -8.467 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.168 -2.451 -8.195 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.223 -2.404 -9.702 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.877 -0.898 -9.016 1.00 99.99 H new ATOM 1499 N TRP D 41 7.336 1.440 -9.547 1.00 99.99 N ATOM 1500 CA TRP D 41 6.222 1.922 -10.353 1.00 99.99 C ATOM 1501 C TRP D 41 6.612 3.238 -11.011 1.00 99.99 C ATOM 1502 O TRP D 41 6.314 3.429 -12.163 1.00 99.99 O ATOM 1503 CB TRP D 41 4.963 2.208 -9.523 1.00 99.99 C ATOM 1504 CG TRP D 41 3.756 2.610 -10.350 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.944 1.789 -11.071 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.317 3.955 -10.609 1.00 99.99 C ATOM 1507 NE1 TRP D 41 1.974 2.517 -11.699 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.206 3.851 -11.466 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.787 5.194 -10.164 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.526 4.985 -11.886 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.106 6.333 -10.601 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.990 6.237 -11.449 1.00 99.99 C ATOM 0 H TRP D 41 7.148 1.427 -8.545 1.00 99.99 H new ATOM 0 HA TRP D 41 6.003 1.136 -11.075 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.713 1.320 -8.943 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.183 3.003 -8.810 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.051 0.716 -11.137 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.205 2.134 -12.249 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.642 5.268 -9.509 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.663 4.907 -12.531 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.444 7.307 -10.280 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.483 7.136 -11.768 1.00 99.99 H new ATOM 1523 N ILE D 42 7.227 4.069 -10.286 1.00 99.99 N ATOM 1524 CA ILE D 42 7.637 5.381 -10.779 1.00 99.99 C ATOM 1525 C ILE D 42 8.717 5.204 -11.837 1.00 99.99 C ATOM 1526 O ILE D 42 8.666 5.869 -12.841 1.00 99.99 O ATOM 1527 CB ILE D 42 8.245 6.266 -9.685 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.144 6.727 -8.702 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.958 7.489 -10.300 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.680 7.542 -7.515 1.00 99.99 C ATOM 0 H ILE D 42 7.481 3.891 -9.314 1.00 99.99 H new ATOM 0 HA ILE D 42 6.737 5.858 -11.167 1.00 99.99 H new ATOM 0 HB ILE D 42 8.985 5.679 -9.140 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.413 7.328 -9.244 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.618 5.851 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.381 8.102 -9.504 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.756 7.151 -10.961 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.241 8.080 -10.870 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.851 7.831 -6.868 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.389 6.937 -6.949 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.181 8.437 -7.885 1.00 99.99 H new ATOM 1542 N LEU D 43 9.621 4.361 -11.586 1.00 99.99 N ATOM 1543 CA LEU D 43 10.730 4.113 -12.500 1.00 99.99 C ATOM 1544 C LEU D 43 10.189 3.555 -13.809 1.00 99.99 C ATOM 1545 O LEU D 43 10.729 3.858 -14.842 1.00 99.99 O ATOM 1546 CB LEU D 43 11.722 3.072 -11.964 1.00 99.99 C ATOM 1547 CG LEU D 43 12.555 3.550 -10.751 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.312 2.364 -10.126 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.543 4.663 -11.133 1.00 99.99 C ATOM 0 H LEU D 43 9.646 3.796 -10.737 1.00 99.99 H new ATOM 0 HA LEU D 43 11.242 5.067 -12.627 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.171 2.175 -11.681 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.402 2.788 -12.767 1.00 99.99 H new ATOM 0 HG LEU D 43 11.860 3.964 -10.020 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.895 2.713 -9.273 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.598 1.611 -9.794 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.981 1.927 -10.868 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.106 4.968 -10.251 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.231 4.294 -11.893 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.993 5.518 -11.526 1.00 99.99 H new ATOM 1561 N ASP D 44 9.193 2.785 -13.725 1.00 99.99 N ATOM 1562 CA ASP D 44 8.590 2.159 -14.894 1.00 99.99 C ATOM 1563 C ASP D 44 7.916 3.227 -15.746 1.00 99.99 C ATOM 1564 O ASP D 44 7.989 3.150 -16.947 1.00 99.99 O ATOM 1565 CB ASP D 44 7.499 1.141 -14.534 1.00 99.99 C ATOM 1566 CG ASP D 44 6.932 0.422 -15.773 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.687 -0.348 -16.412 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.714 0.588 -16.080 1.00 99.99 O ATOM 0 H ASP D 44 8.739 2.544 -12.844 1.00 99.99 H new ATOM 0 HA ASP D 44 9.398 1.648 -15.416 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.909 0.402 -13.845 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.689 1.650 -14.011 1.00 99.99 H new ATOM 1573 N ARG D 45 7.306 4.140 -15.127 1.00 99.99 N ATOM 1574 CA ARG D 45 6.596 5.212 -15.815 1.00 99.99 C ATOM 1575 C ARG D 45 7.595 6.075 -16.572 1.00 99.99 C ATOM 1576 O ARG D 45 7.330 6.432 -17.691 1.00 99.99 O ATOM 1577 CB ARG D 45 5.856 6.152 -14.855 1.00 99.99 C ATOM 1578 CG ARG D 45 4.707 5.471 -14.083 1.00 99.99 C ATOM 1579 CD ARG D 45 3.459 5.235 -14.943 1.00 99.99 C ATOM 1580 NE ARG D 45 3.532 3.847 -15.526 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.838 3.516 -16.631 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.033 4.398 -17.248 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.941 2.260 -17.095 1.00 99.99 N ATOM 0 H ARG D 45 7.262 4.199 -14.110 1.00 99.99 H new ATOM 0 HA ARG D 45 5.874 4.726 -16.471 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.569 6.562 -14.140 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.454 6.992 -15.421 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.057 4.516 -13.692 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.438 6.088 -13.225 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.558 5.345 -14.340 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.402 5.977 -15.739 1.00 99.99 H new ATOM 0 HE ARG D 45 4.118 3.145 -15.075 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.937 5.345 -16.880 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.518 4.121 -18.084 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.534 1.585 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.426 1.981 -17.930 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.317 6.478 -17.738 1.00 99.99 C ATOM 1600 O LEU D 46 10.988 5.461 -17.570 1.00 99.99 O ATOM 1601 CB LEU D 46 10.839 7.526 -15.590 1.00 99.99 C ATOM 1602 CG LEU D 46 10.479 8.268 -14.279 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.717 8.262 -13.362 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.996 9.704 -14.507 1.00 99.99 C ATOM 0 H LEU D 46 8.878 6.049 -15.020 1.00 99.99 H new ATOM 0 HA LEU D 46 9.202 8.138 -16.849 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.324 6.587 -15.323 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.576 8.125 -16.125 1.00 99.99 H new ATOM 0 HG LEU D 46 9.644 7.742 -13.816 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.484 8.781 -12.432 1.00 99.99 H new ATOM 0 HD12 LEU D 46 12.002 7.233 -13.142 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.543 8.768 -13.862 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.761 10.165 -13.548 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.779 10.277 -15.003 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.103 9.693 -15.133 1.00 99.99 H new