USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.15) USER MOD Single : A 66 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-0.86) USER MOD Single : A 67 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.048) USER MOD Single : A 69 SER OG : rot -122:sc= 0.468 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -50:sc= -0.15 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.0895 X(o=-0.09,f=-0.09) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0.228 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -50:sc= -0.384 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 3.315 14.335 -19.738 1.00 0.00 N ATOM 2 CA ARG A 61 3.090 14.110 -18.315 1.00 0.00 C ATOM 3 C ARG A 61 3.764 12.820 -17.856 1.00 0.00 C ATOM 4 O ARG A 61 4.121 12.676 -16.686 1.00 0.00 O ATOM 5 CB ARG A 61 1.591 14.050 -18.017 1.00 0.00 C ATOM 6 CG ARG A 61 0.881 12.890 -18.696 1.00 0.00 C ATOM 7 CD ARG A 61 0.812 11.671 -17.789 1.00 0.00 C ATOM 8 NE ARG A 61 -0.389 10.876 -18.031 1.00 0.00 N ATOM 9 CZ ARG A 61 -0.558 9.641 -17.572 1.00 0.00 C ATOM 10 NH1 ARG A 61 0.393 9.063 -16.851 1.00 0.00 N ATOM 11 NH2 ARG A 61 -1.679 8.982 -17.835 1.00 0.00 N ATOM 0 HA ARG A 61 3.529 14.944 -17.767 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.446 13.973 -16.939 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.128 14.984 -18.335 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.128 13.193 -18.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.404 12.631 -19.617 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.695 11.051 -17.947 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.830 11.992 -16.748 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.139 11.292 -18.583 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.256 9.567 -16.648 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.261 8.115 -16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.412 9.424 -18.390 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.808 8.034 -17.482 1.00 0.00 H new ATOM 25 N VAL A 62 3.934 11.884 -18.784 1.00 0.00 N ATOM 26 CA VAL A 62 4.565 10.607 -18.475 1.00 0.00 C ATOM 27 C VAL A 62 6.078 10.754 -18.362 1.00 0.00 C ATOM 28 O VAL A 62 6.614 11.855 -18.485 1.00 0.00 O ATOM 29 CB VAL A 62 4.241 9.548 -19.545 1.00 0.00 C ATOM 30 CG1 VAL A 62 2.737 9.367 -19.681 1.00 0.00 C ATOM 31 CG2 VAL A 62 4.862 9.932 -20.880 1.00 0.00 C ATOM 0 H VAL A 62 3.643 11.986 -19.756 1.00 0.00 H new ATOM 0 HA VAL A 62 4.163 10.279 -17.516 1.00 0.00 H new ATOM 0 HB VAL A 62 4.670 8.597 -19.230 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.528 8.615 -20.442 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.322 9.043 -18.727 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.281 10.313 -19.972 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.623 9.172 -21.624 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.465 10.894 -21.203 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.944 10.005 -20.770 1.00 0.00 H new ATOM 41 N GLN A 63 6.760 9.637 -18.128 1.00 0.00 N ATOM 42 CA GLN A 63 8.212 9.643 -17.999 1.00 0.00 C ATOM 43 C GLN A 63 8.879 9.811 -19.360 1.00 0.00 C ATOM 44 O GLN A 63 8.287 9.504 -20.395 1.00 0.00 O ATOM 45 CB GLN A 63 8.691 8.348 -17.339 1.00 0.00 C ATOM 46 CG GLN A 63 7.806 7.886 -16.193 1.00 0.00 C ATOM 47 CD GLN A 63 7.443 9.011 -15.245 1.00 0.00 C ATOM 48 OE1 GLN A 63 8.297 9.534 -14.527 1.00 0.00 O ATOM 49 NE2 GLN A 63 6.171 9.392 -15.236 1.00 0.00 N ATOM 0 H GLN A 63 6.331 8.718 -18.024 1.00 0.00 H new ATOM 0 HA GLN A 63 8.493 10.489 -17.371 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.736 7.561 -18.092 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.706 8.493 -16.968 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.893 7.448 -16.598 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.318 7.100 -15.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.496 8.932 -15.847 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.869 10.145 -14.618 1.00 0.00 H new ATOM 58 N LEU A 64 10.114 10.300 -19.351 1.00 0.00 N ATOM 59 CA LEU A 64 10.863 10.509 -20.586 1.00 0.00 C ATOM 60 C LEU A 64 12.365 10.434 -20.331 1.00 0.00 C ATOM 61 O LEU A 64 12.802 10.141 -19.219 1.00 0.00 O ATOM 62 CB LEU A 64 10.505 11.864 -21.199 1.00 0.00 C ATOM 63 CG LEU A 64 9.035 12.065 -21.571 1.00 0.00 C ATOM 64 CD1 LEU A 64 8.767 13.522 -21.916 1.00 0.00 C ATOM 65 CD2 LEU A 64 8.651 11.160 -22.732 1.00 0.00 C ATOM 0 H LEU A 64 10.618 10.559 -18.503 1.00 0.00 H new ATOM 0 HA LEU A 64 10.592 9.718 -21.285 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.791 12.646 -20.495 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.109 12.006 -22.095 1.00 0.00 H new ATOM 0 HG LEU A 64 8.421 11.798 -20.710 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.716 13.647 -22.178 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.003 14.149 -21.056 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.389 13.816 -22.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.602 11.316 -22.983 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.270 11.396 -23.597 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.805 10.119 -22.448 1.00 0.00 H new ATOM 77 N ALA A 65 13.150 10.703 -21.369 1.00 0.00 N ATOM 78 CA ALA A 65 14.603 10.670 -21.257 1.00 0.00 C ATOM 79 C ALA A 65 15.112 9.238 -21.136 1.00 0.00 C ATOM 80 O ALA A 65 15.039 8.631 -20.067 1.00 0.00 O ATOM 81 CB ALA A 65 15.059 11.497 -20.064 1.00 0.00 C ATOM 0 H ALA A 65 12.804 10.946 -22.297 1.00 0.00 H new ATOM 0 HA ALA A 65 15.023 11.101 -22.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.146 11.464 -19.992 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.735 12.530 -20.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.623 11.091 -19.152 1.00 0.00 H new ATOM 87 N HIS A 66 15.627 8.703 -22.238 1.00 0.00 N ATOM 88 CA HIS A 66 16.148 7.341 -22.256 1.00 0.00 C ATOM 89 C HIS A 66 17.364 7.213 -21.343 1.00 0.00 C ATOM 90 O HIS A 66 17.764 8.175 -20.686 1.00 0.00 O ATOM 91 CB HIS A 66 16.520 6.932 -23.681 1.00 0.00 C ATOM 92 CG HIS A 66 17.816 7.517 -24.153 1.00 0.00 C ATOM 93 ND1 HIS A 66 18.213 8.804 -23.857 1.00 0.00 N ATOM 94 CD2 HIS A 66 18.808 6.982 -24.902 1.00 0.00 C ATOM 95 CE1 HIS A 66 19.392 9.036 -24.405 1.00 0.00 C ATOM 96 NE2 HIS A 66 19.776 7.946 -25.045 1.00 0.00 N ATOM 0 H HIS A 66 15.695 9.192 -23.131 1.00 0.00 H new ATOM 0 HA HIS A 66 15.367 6.675 -21.888 1.00 0.00 H new ATOM 0 HB2 HIS A 66 16.581 5.845 -23.734 1.00 0.00 H new ATOM 0 HB3 HIS A 66 15.724 7.240 -24.358 1.00 0.00 H new ATOM 0 HD2 HIS A 66 18.834 5.983 -25.311 1.00 0.00 H new ATOM 0 HE1 HIS A 66 19.948 9.960 -24.341 1.00 0.00 H new ATOM 0 HE2 HIS A 66 20.649 7.838 -25.561 1.00 0.00 H new ATOM 104 N HIS A 67 17.948 6.019 -21.307 1.00 0.00 N ATOM 105 CA HIS A 67 19.119 5.766 -20.475 1.00 0.00 C ATOM 106 C HIS A 67 19.595 4.325 -20.631 1.00 0.00 C ATOM 107 O HIS A 67 18.796 3.419 -20.873 1.00 0.00 O ATOM 108 CB HIS A 67 18.800 6.054 -19.007 1.00 0.00 C ATOM 109 CG HIS A 67 19.836 6.890 -18.322 1.00 0.00 C ATOM 110 ND1 HIS A 67 19.562 7.677 -17.223 1.00 0.00 N ATOM 111 CD2 HIS A 67 21.153 7.059 -18.585 1.00 0.00 C ATOM 112 CE1 HIS A 67 20.665 8.294 -16.840 1.00 0.00 C ATOM 113 NE2 HIS A 67 21.645 7.937 -17.650 1.00 0.00 N ATOM 0 H HIS A 67 17.630 5.212 -21.844 1.00 0.00 H new ATOM 0 HA HIS A 67 19.918 6.432 -20.803 1.00 0.00 H new ATOM 0 HB2 HIS A 67 17.837 6.561 -18.946 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.697 5.109 -18.474 1.00 0.00 H new ATOM 0 HD2 HIS A 67 21.713 6.591 -19.381 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.751 8.975 -16.006 1.00 0.00 H new ATOM 0 HE2 HIS A 67 22.610 8.261 -17.591 1.00 0.00 H new ATOM 121 N PHE A 68 20.900 4.119 -20.492 1.00 0.00 N ATOM 122 CA PHE A 68 21.483 2.789 -20.619 1.00 0.00 C ATOM 123 C PHE A 68 20.856 1.822 -19.618 1.00 0.00 C ATOM 124 O PHE A 68 20.133 2.234 -18.711 1.00 0.00 O ATOM 125 CB PHE A 68 22.997 2.849 -20.407 1.00 0.00 C ATOM 126 CG PHE A 68 23.776 2.064 -21.423 1.00 0.00 C ATOM 127 CD1 PHE A 68 23.758 2.424 -22.761 1.00 0.00 C ATOM 128 CD2 PHE A 68 24.527 0.964 -21.040 1.00 0.00 C ATOM 129 CE1 PHE A 68 24.474 1.704 -23.698 1.00 0.00 C ATOM 130 CE2 PHE A 68 25.246 0.240 -21.973 1.00 0.00 C ATOM 131 CZ PHE A 68 25.218 0.610 -23.303 1.00 0.00 C ATOM 0 H PHE A 68 21.575 4.857 -20.291 1.00 0.00 H new ATOM 0 HA PHE A 68 21.279 2.426 -21.626 1.00 0.00 H new ATOM 0 HB2 PHE A 68 23.319 3.890 -20.439 1.00 0.00 H new ATOM 0 HB3 PHE A 68 23.232 2.473 -19.411 1.00 0.00 H new ATOM 0 HD1 PHE A 68 23.177 3.278 -23.075 1.00 0.00 H new ATOM 0 HD2 PHE A 68 24.551 0.669 -20.001 1.00 0.00 H new ATOM 0 HE1 PHE A 68 24.452 1.996 -24.737 1.00 0.00 H new ATOM 0 HE2 PHE A 68 25.829 -0.614 -21.662 1.00 0.00 H new ATOM 0 HZ PHE A 68 25.777 0.044 -24.033 1.00 0.00 H new ATOM 141 N SER A 69 21.138 0.535 -19.791 1.00 0.00 N ATOM 142 CA SER A 69 20.600 -0.491 -18.907 1.00 0.00 C ATOM 143 C SER A 69 19.100 -0.300 -18.703 1.00 0.00 C ATOM 144 O SER A 69 18.451 0.434 -19.447 1.00 0.00 O ATOM 145 CB SER A 69 21.318 -0.459 -17.556 1.00 0.00 C ATOM 146 OG SER A 69 21.058 -1.637 -16.812 1.00 0.00 O ATOM 0 H SER A 69 21.736 0.178 -20.536 1.00 0.00 H new ATOM 0 HA SER A 69 20.765 -1.461 -19.375 1.00 0.00 H new ATOM 0 HB2 SER A 69 22.391 -0.354 -17.714 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.993 0.413 -16.988 1.00 0.00 H new ATOM 0 HG SER A 69 20.655 -1.398 -15.951 1.00 0.00 H new ATOM 152 N GLU A 70 18.557 -0.966 -17.689 1.00 0.00 N ATOM 153 CA GLU A 70 17.133 -0.871 -17.387 1.00 0.00 C ATOM 154 C GLU A 70 16.294 -1.137 -18.634 1.00 0.00 C ATOM 155 O GLU A 70 15.649 -0.243 -19.181 1.00 0.00 O ATOM 156 CB GLU A 70 16.801 0.512 -16.821 1.00 0.00 C ATOM 157 CG GLU A 70 17.807 1.007 -15.796 1.00 0.00 C ATOM 158 CD GLU A 70 17.375 2.299 -15.131 1.00 0.00 C ATOM 159 OE1 GLU A 70 17.225 3.313 -15.845 1.00 0.00 O ATOM 160 OE2 GLU A 70 17.186 2.296 -13.897 1.00 0.00 O ATOM 0 H GLU A 70 19.081 -1.577 -17.063 1.00 0.00 H new ATOM 0 HA GLU A 70 16.894 -1.629 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.748 1.228 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.813 0.480 -16.362 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.950 0.241 -15.034 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.771 1.158 -16.282 1.00 0.00 H new ATOM 167 N PRO A 71 16.303 -2.396 -19.094 1.00 0.00 N ATOM 168 CA PRO A 71 15.548 -2.811 -20.281 1.00 0.00 C ATOM 169 C PRO A 71 14.042 -2.805 -20.041 1.00 0.00 C ATOM 170 O PRO A 71 13.267 -2.424 -20.917 1.00 0.00 O ATOM 171 CB PRO A 71 16.043 -4.236 -20.537 1.00 0.00 C ATOM 172 CG PRO A 71 16.507 -4.720 -19.206 1.00 0.00 C ATOM 173 CD PRO A 71 17.050 -3.513 -18.492 1.00 0.00 C ATOM 0 HA PRO A 71 15.705 -2.134 -21.121 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.247 -4.867 -20.932 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.852 -4.249 -21.267 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.686 -5.168 -18.646 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.274 -5.487 -19.315 1.00 0.00 H new ATOM 0 HD2 PRO A 71 16.884 -3.574 -17.416 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.124 -3.406 -18.643 1.00 0.00 H new ATOM 181 N GLU A 72 13.636 -3.229 -18.848 1.00 0.00 N ATOM 182 CA GLU A 72 12.222 -3.272 -18.495 1.00 0.00 C ATOM 183 C GLU A 72 11.572 -1.904 -18.681 1.00 0.00 C ATOM 184 O GLU A 72 10.561 -1.774 -19.371 1.00 0.00 O ATOM 185 CB GLU A 72 12.049 -3.739 -17.048 1.00 0.00 C ATOM 186 CG GLU A 72 12.332 -5.218 -16.847 1.00 0.00 C ATOM 187 CD GLU A 72 12.145 -5.658 -15.408 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.222 -4.794 -14.510 1.00 0.00 O ATOM 189 OE2 GLU A 72 11.922 -6.866 -15.181 1.00 0.00 O ATOM 0 H GLU A 72 14.265 -3.547 -18.111 1.00 0.00 H new ATOM 0 HA GLU A 72 11.730 -3.982 -19.160 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.714 -3.160 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.030 -3.526 -16.726 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.672 -5.801 -17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.354 -5.434 -17.159 1.00 0.00 H new ATOM 196 N ILE A 73 12.160 -0.888 -18.059 1.00 0.00 N ATOM 197 CA ILE A 73 11.640 0.471 -18.156 1.00 0.00 C ATOM 198 C ILE A 73 11.381 0.858 -19.608 1.00 0.00 C ATOM 199 O ILE A 73 10.286 1.300 -19.959 1.00 0.00 O ATOM 200 CB ILE A 73 12.609 1.491 -17.529 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.876 1.140 -16.064 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.045 2.899 -17.648 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.864 2.067 -15.391 1.00 0.00 C ATOM 0 H ILE A 73 12.997 -0.980 -17.483 1.00 0.00 H new ATOM 0 HA ILE A 73 10.700 0.489 -17.604 1.00 0.00 H new ATOM 0 HB ILE A 73 13.554 1.452 -18.070 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.935 1.165 -15.515 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.251 0.118 -16.006 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.741 3.609 -17.201 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.901 3.146 -18.700 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.088 2.953 -17.129 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.005 1.759 -14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.819 2.024 -15.915 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.481 3.087 -15.417 1.00 0.00 H new ATOM 215 N THR A 74 12.395 0.687 -20.450 1.00 0.00 N ATOM 216 CA THR A 74 12.277 1.017 -21.865 1.00 0.00 C ATOM 217 C THR A 74 11.023 0.399 -22.472 1.00 0.00 C ATOM 218 O THR A 74 10.261 1.072 -23.168 1.00 0.00 O ATOM 219 CB THR A 74 13.508 0.538 -22.658 1.00 0.00 C ATOM 220 OG1 THR A 74 14.697 1.126 -22.120 1.00 0.00 O ATOM 221 CG2 THR A 74 13.378 0.900 -24.129 1.00 0.00 C ATOM 0 H THR A 74 13.307 0.322 -20.177 1.00 0.00 H new ATOM 0 HA THR A 74 12.211 2.103 -21.931 1.00 0.00 H new ATOM 0 HB THR A 74 13.569 -0.547 -22.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.475 0.815 -22.629 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.259 0.552 -24.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.488 0.426 -24.543 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.294 1.982 -24.231 1.00 0.00 H new ATOM 229 N LEU A 75 10.813 -0.885 -22.204 1.00 0.00 N ATOM 230 CA LEU A 75 9.649 -1.595 -22.723 1.00 0.00 C ATOM 231 C LEU A 75 8.357 -0.896 -22.312 1.00 0.00 C ATOM 232 O LEU A 75 7.479 -0.657 -23.141 1.00 0.00 O ATOM 233 CB LEU A 75 9.643 -3.040 -22.222 1.00 0.00 C ATOM 234 CG LEU A 75 10.848 -3.893 -22.618 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.860 -5.197 -21.835 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.837 -4.169 -24.115 1.00 0.00 C ATOM 0 H LEU A 75 11.434 -1.456 -21.630 1.00 0.00 H new ATOM 0 HA LEU A 75 9.710 -1.595 -23.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.575 -3.026 -21.134 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.741 -3.528 -22.591 1.00 0.00 H new ATOM 0 HG LEU A 75 11.755 -3.339 -22.377 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.725 -5.791 -22.130 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.916 -4.980 -20.768 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.948 -5.756 -22.044 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.702 -4.777 -24.379 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.924 -4.702 -24.380 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.877 -3.225 -24.659 1.00 0.00 H new ATOM 248 N ILE A 76 8.250 -0.570 -21.029 1.00 0.00 N ATOM 249 CA ILE A 76 7.067 0.105 -20.509 1.00 0.00 C ATOM 250 C ILE A 76 6.794 1.399 -21.268 1.00 0.00 C ATOM 251 O ILE A 76 5.658 1.676 -21.655 1.00 0.00 O ATOM 252 CB ILE A 76 7.213 0.424 -19.009 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.552 -0.847 -18.227 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.938 1.057 -18.475 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.489 -1.918 -18.324 1.00 0.00 C ATOM 0 H ILE A 76 8.968 -0.762 -20.330 1.00 0.00 H new ATOM 0 HA ILE A 76 6.229 -0.578 -20.646 1.00 0.00 H new ATOM 0 HB ILE A 76 8.029 1.136 -18.881 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.496 -1.249 -18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.702 -0.590 -17.179 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.057 1.276 -17.414 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.736 1.981 -19.016 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.105 0.368 -18.611 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.797 -2.789 -17.746 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.548 -1.534 -17.929 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.355 -2.204 -19.367 1.00 0.00 H new ATOM 267 N ILE A 77 7.843 2.187 -21.479 1.00 0.00 N ATOM 268 CA ILE A 77 7.717 3.451 -22.194 1.00 0.00 C ATOM 269 C ILE A 77 7.315 3.222 -23.648 1.00 0.00 C ATOM 270 O ILE A 77 6.366 3.829 -24.144 1.00 0.00 O ATOM 271 CB ILE A 77 9.031 4.253 -22.157 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.373 4.645 -20.718 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.923 5.489 -23.037 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.444 5.690 -20.139 1.00 0.00 C ATOM 0 H ILE A 77 8.789 1.972 -21.165 1.00 0.00 H new ATOM 0 HA ILE A 77 6.938 4.023 -21.689 1.00 0.00 H new ATOM 0 HB ILE A 77 9.834 3.625 -22.544 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.341 3.755 -20.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.395 5.022 -20.686 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.860 6.045 -23.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.720 5.187 -24.065 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.111 6.122 -22.678 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.746 5.919 -19.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.493 6.596 -20.744 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.423 5.309 -20.139 1.00 0.00 H new ATOM 286 N PHE A 78 8.044 2.341 -24.325 1.00 0.00 N ATOM 287 CA PHE A 78 7.764 2.030 -25.722 1.00 0.00 C ATOM 288 C PHE A 78 6.310 1.604 -25.904 1.00 0.00 C ATOM 289 O PHE A 78 5.612 2.101 -26.786 1.00 0.00 O ATOM 290 CB PHE A 78 8.697 0.924 -26.218 1.00 0.00 C ATOM 291 CG PHE A 78 8.317 0.377 -27.564 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.808 0.954 -28.724 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.470 -0.714 -27.670 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.459 0.454 -29.965 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.118 -1.219 -28.907 1.00 0.00 C ATOM 296 CZ PHE A 78 7.614 -0.635 -30.056 1.00 0.00 C ATOM 0 H PHE A 78 8.833 1.830 -23.929 1.00 0.00 H new ATOM 0 HA PHE A 78 7.936 2.932 -26.310 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.714 1.313 -26.267 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.701 0.111 -25.492 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.471 1.804 -28.658 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.080 -1.175 -26.775 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.846 0.914 -30.862 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.456 -2.069 -28.975 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.342 -1.029 -31.024 1.00 0.00 H new ATOM 306 N GLY A 79 5.861 0.679 -25.061 1.00 0.00 N ATOM 307 CA GLY A 79 4.494 0.200 -25.145 1.00 0.00 C ATOM 308 C GLY A 79 3.480 1.323 -25.055 1.00 0.00 C ATOM 309 O GLY A 79 2.642 1.485 -25.942 1.00 0.00 O ATOM 0 H GLY A 79 6.420 0.253 -24.322 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.357 -0.335 -26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.313 -0.515 -24.342 1.00 0.00 H new ATOM 313 N VAL A 80 3.554 2.100 -23.980 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.213 -23.776 1.00 0.00 C ATOM 315 C VAL A 80 2.747 4.232 -24.905 1.00 0.00 C ATOM 316 O VAL A 80 1.761 4.858 -25.290 1.00 0.00 O ATOM 317 CB VAL A 80 2.897 3.920 -22.433 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.882 5.030 -22.206 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.868 2.918 -21.290 1.00 0.00 C ATOM 0 H VAL A 80 4.242 1.980 -23.236 1.00 0.00 H new ATOM 0 HA VAL A 80 1.628 2.795 -23.766 1.00 0.00 H new ATOM 0 HB VAL A 80 3.889 4.370 -22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.084 5.518 -21.252 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.956 5.761 -23.011 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.877 4.607 -22.192 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.056 3.434 -20.349 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.890 2.438 -21.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.637 2.162 -21.449 1.00 0.00 H new ATOM 329 N MET A 81 3.957 4.392 -25.431 1.00 0.00 N ATOM 330 CA MET A 81 4.199 5.334 -26.518 1.00 0.00 C ATOM 331 C MET A 81 3.459 4.908 -27.782 1.00 0.00 C ATOM 332 O MET A 81 2.830 5.727 -28.451 1.00 0.00 O ATOM 333 CB MET A 81 5.698 5.444 -26.802 1.00 0.00 C ATOM 334 CG MET A 81 6.448 6.294 -25.790 1.00 0.00 C ATOM 335 SD MET A 81 6.450 8.045 -26.219 1.00 0.00 S ATOM 336 CE MET A 81 6.159 8.787 -24.615 1.00 0.00 C ATOM 0 H MET A 81 4.785 3.882 -25.122 1.00 0.00 H new ATOM 0 HA MET A 81 3.823 6.310 -26.210 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.131 4.444 -26.816 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.841 5.867 -27.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.995 6.165 -24.807 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.477 5.941 -25.716 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.133 9.872 -24.715 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.206 8.436 -24.219 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.961 8.505 -23.933 1.00 0.00 H new ATOM 346 N ALA A 82 3.540 3.621 -28.103 1.00 0.00 N ATOM 347 CA ALA A 82 2.877 3.086 -29.286 1.00 0.00 C ATOM 348 C ALA A 82 1.360 3.158 -29.145 1.00 0.00 C ATOM 349 O ALA A 82 0.661 3.583 -30.064 1.00 0.00 O ATOM 350 CB ALA A 82 3.318 1.651 -29.534 1.00 0.00 C ATOM 0 H ALA A 82 4.058 2.930 -27.561 1.00 0.00 H new ATOM 0 HA ALA A 82 3.166 3.697 -30.141 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.815 1.264 -30.420 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.397 1.623 -29.688 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.058 1.036 -28.672 1.00 0.00 H new ATOM 356 N GLY A 83 0.857 2.739 -27.988 1.00 0.00 N ATOM 357 CA GLY A 83 -0.574 2.765 -27.749 1.00 0.00 C ATOM 358 C GLY A 83 -1.142 4.170 -27.776 1.00 0.00 C ATOM 359 O GLY A 83 -2.106 4.444 -28.492 1.00 0.00 O ATOM 0 H GLY A 83 1.415 2.382 -27.212 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.076 2.159 -28.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.786 2.310 -26.782 1.00 0.00 H new ATOM 363 N VAL A 84 -0.545 5.063 -26.994 1.00 0.00 N ATOM 364 CA VAL A 84 -0.997 6.448 -26.931 1.00 0.00 C ATOM 365 C VAL A 84 -1.051 7.072 -28.321 1.00 0.00 C ATOM 366 O VAL A 84 -2.099 7.551 -28.757 1.00 0.00 O ATOM 367 CB VAL A 84 -0.078 7.299 -26.034 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.417 8.775 -26.169 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.183 6.849 -24.585 1.00 0.00 C ATOM 0 H VAL A 84 0.253 4.852 -26.395 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.999 6.434 -26.502 1.00 0.00 H new ATOM 0 HB VAL A 84 0.952 7.157 -26.361 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.243 9.360 -25.528 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.285 9.085 -27.205 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.452 8.939 -25.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.473 7.461 -23.966 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.212 6.960 -24.243 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.115 5.804 -24.506 1.00 0.00 H new ATOM 379 N ILE A 85 0.083 7.063 -29.013 1.00 0.00 N ATOM 380 CA ILE A 85 0.164 7.626 -30.355 1.00 0.00 C ATOM 381 C ILE A 85 -0.871 6.994 -31.280 1.00 0.00 C ATOM 382 O ILE A 85 -1.506 7.681 -32.079 1.00 0.00 O ATOM 383 CB ILE A 85 1.566 7.434 -30.963 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.623 8.109 -30.086 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.610 7.989 -32.378 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.027 7.605 -30.337 1.00 0.00 C ATOM 0 H ILE A 85 0.959 6.672 -28.666 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.039 8.693 -30.262 1.00 0.00 H new ATOM 0 HB ILE A 85 1.785 6.367 -31.006 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.595 9.185 -30.260 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.370 7.949 -29.038 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.607 7.846 -32.794 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.880 7.467 -32.997 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.374 9.053 -32.359 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.724 8.127 -29.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.071 6.535 -30.135 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.299 7.790 -31.376 1.00 0.00 H new ATOM 398 N GLY A 86 -1.035 5.680 -31.164 1.00 0.00 N ATOM 399 CA GLY A 86 -1.996 4.977 -31.995 1.00 0.00 C ATOM 400 C GLY A 86 -3.405 5.508 -31.827 1.00 0.00 C ATOM 401 O GLY A 86 -4.075 5.836 -32.807 1.00 0.00 O ATOM 0 H GLY A 86 -0.520 5.090 -30.510 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.700 5.064 -33.040 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.979 3.916 -31.747 1.00 0.00 H new ATOM 405 N THR A 87 -3.861 5.591 -30.581 1.00 0.00 N ATOM 406 CA THR A 87 -5.201 6.083 -30.288 1.00 0.00 C ATOM 407 C THR A 87 -5.408 7.484 -30.850 1.00 0.00 C ATOM 408 O THR A 87 -6.438 7.773 -31.460 1.00 0.00 O ATOM 409 CB THR A 87 -5.473 6.105 -28.772 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.906 4.943 -28.155 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.967 6.157 -28.490 1.00 0.00 C ATOM 0 H THR A 87 -3.321 5.323 -29.758 1.00 0.00 H new ATOM 0 HA THR A 87 -5.900 5.396 -30.765 1.00 0.00 H new ATOM 0 HB THR A 87 -5.010 7.000 -28.356 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.187 4.142 -28.645 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.134 6.172 -27.413 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.390 7.058 -28.935 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.449 5.279 -28.920 1.00 0.00 H new ATOM 419 N ILE A 88 -4.422 8.351 -30.643 1.00 0.00 N ATOM 420 CA ILE A 88 -4.497 9.723 -31.131 1.00 0.00 C ATOM 421 C ILE A 88 -4.784 9.758 -32.628 1.00 0.00 C ATOM 422 O ILE A 88 -5.701 10.446 -33.079 1.00 0.00 O ATOM 423 CB ILE A 88 -3.191 10.491 -30.852 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.912 10.537 -29.349 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.272 11.898 -31.426 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.469 10.838 -29.011 1.00 0.00 C ATOM 0 H ILE A 88 -3.563 8.128 -30.141 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.314 10.205 -30.595 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.367 9.968 -31.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.549 11.294 -28.892 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.188 9.580 -28.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.342 12.429 -31.221 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.429 11.843 -32.503 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.103 12.432 -30.965 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.345 10.855 -27.928 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.827 10.067 -29.438 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.194 11.809 -29.423 1.00 0.00 H new ATOM 438 N LEU A 89 -3.997 9.011 -33.394 1.00 0.00 N ATOM 439 CA LEU A 89 -4.168 8.955 -34.842 1.00 0.00 C ATOM 440 C LEU A 89 -5.584 8.520 -35.207 1.00 0.00 C ATOM 441 O LEU A 89 -6.274 9.194 -35.972 1.00 0.00 O ATOM 442 CB LEU A 89 -3.151 7.993 -35.458 1.00 0.00 C ATOM 443 CG LEU A 89 -1.715 8.508 -35.560 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.749 7.354 -35.780 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.593 9.530 -36.680 1.00 0.00 C ATOM 0 H LEU A 89 -3.234 8.436 -33.037 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.001 9.955 -35.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.146 7.076 -34.869 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.492 7.727 -36.459 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.457 8.997 -34.621 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.268 7.739 -35.850 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.817 6.658 -34.944 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.005 6.836 -36.704 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.564 9.885 -36.738 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.871 9.067 -37.627 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.257 10.371 -36.479 1.00 0.00 H new ATOM 457 N LEU A 90 -6.011 7.390 -34.653 1.00 0.00 N ATOM 458 CA LEU A 90 -7.346 6.865 -34.917 1.00 0.00 C ATOM 459 C LEU A 90 -8.416 7.886 -34.545 1.00 0.00 C ATOM 460 O LEU A 90 -9.298 8.195 -35.347 1.00 0.00 O ATOM 461 CB LEU A 90 -7.569 5.568 -34.137 1.00 0.00 C ATOM 462 CG LEU A 90 -6.776 4.352 -34.617 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.854 3.228 -33.595 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.289 3.881 -35.970 1.00 0.00 C ATOM 0 H LEU A 90 -5.452 6.820 -34.018 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.423 6.658 -35.984 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.321 5.749 -33.091 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.630 5.323 -34.175 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.732 4.643 -34.728 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.284 2.371 -33.953 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.439 3.569 -32.647 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.895 2.938 -33.452 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.713 3.015 -36.296 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.340 3.607 -35.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.181 4.684 -36.699 1.00 0.00 H new ATOM 476 N ILE A 91 -8.330 8.408 -33.326 1.00 0.00 N ATOM 477 CA ILE A 91 -9.289 9.397 -32.850 1.00 0.00 C ATOM 478 C ILE A 91 -9.368 10.588 -33.799 1.00 0.00 C ATOM 479 O ILE A 91 -10.456 11.031 -34.167 1.00 0.00 O ATOM 480 CB ILE A 91 -8.925 9.901 -31.441 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.144 8.795 -30.408 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.749 11.131 -31.090 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.593 8.394 -30.248 1.00 0.00 C ATOM 0 H ILE A 91 -7.606 8.163 -32.650 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.259 8.902 -32.811 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.871 10.178 -31.431 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.563 7.919 -30.697 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.759 9.128 -29.444 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.481 11.476 -30.091 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.548 11.922 -31.813 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.809 10.878 -31.114 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.672 7.606 -29.500 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.176 9.257 -29.928 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.977 8.029 -31.201 1.00 0.00 H new ATOM 495 N SER A 92 -8.207 11.101 -34.194 1.00 0.00 N ATOM 496 CA SER A 92 -8.144 12.242 -35.100 1.00 0.00 C ATOM 497 C SER A 92 -8.923 11.962 -36.382 1.00 0.00 C ATOM 498 O SER A 92 -9.458 12.877 -37.008 1.00 0.00 O ATOM 499 CB SER A 92 -6.689 12.574 -35.436 1.00 0.00 C ATOM 500 OG SER A 92 -6.610 13.650 -36.355 1.00 0.00 O ATOM 0 H SER A 92 -7.297 10.745 -33.901 1.00 0.00 H new ATOM 0 HA SER A 92 -8.598 13.097 -34.599 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.151 12.831 -34.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.200 11.695 -35.857 1.00 0.00 H new ATOM 0 HG SER A 92 -5.670 13.843 -36.552 1.00 0.00 H new ATOM 506 N TYR A 93 -8.981 10.692 -36.765 1.00 0.00 N ATOM 507 CA TYR A 93 -9.691 10.290 -37.974 1.00 0.00 C ATOM 508 C TYR A 93 -11.201 10.394 -37.778 1.00 0.00 C ATOM 509 O TYR A 93 -11.932 10.767 -38.694 1.00 0.00 O ATOM 510 CB TYR A 93 -9.313 8.859 -38.360 1.00 0.00 C ATOM 511 CG TYR A 93 -9.499 8.560 -39.831 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.663 9.126 -40.786 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.509 7.711 -40.265 1.00 0.00 C ATOM 514 CE1 TYR A 93 -8.829 8.856 -42.130 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.682 7.435 -41.608 1.00 0.00 C ATOM 516 CZ TYR A 93 -9.840 8.010 -42.536 1.00 0.00 C ATOM 517 OH TYR A 93 -10.008 7.738 -43.875 1.00 0.00 O ATOM 0 H TYR A 93 -8.545 9.923 -36.256 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.399 10.965 -38.778 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.272 8.682 -38.090 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.916 8.163 -37.777 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.870 9.788 -40.472 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.170 7.259 -39.541 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.171 9.305 -42.859 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.472 6.773 -41.929 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.763 7.124 -43.992 1.00 0.00 H new ATOM 527 N GLY A 94 -11.660 10.062 -36.575 1.00 0.00 N ATOM 528 CA GLY A 94 -13.079 10.125 -36.280 1.00 0.00 C ATOM 529 C GLY A 94 -13.622 11.539 -36.340 1.00 0.00 C ATOM 530 O GLY A 94 -14.742 11.762 -36.801 1.00 0.00 O ATOM 0 H GLY A 94 -11.074 9.751 -35.800 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.622 9.500 -36.989 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.259 9.712 -35.288 1.00 0.00 H new ATOM 534 N ILE A 95 -12.827 12.497 -35.874 1.00 0.00 N ATOM 535 CA ILE A 95 -13.235 13.896 -35.877 1.00 0.00 C ATOM 536 C ILE A 95 -13.389 14.421 -37.301 1.00 0.00 C ATOM 537 O ILE A 95 -14.222 15.287 -37.567 1.00 0.00 O ATOM 538 CB ILE A 95 -12.223 14.779 -35.123 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.085 14.311 -33.673 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.651 16.238 -35.177 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.844 14.833 -32.985 1.00 0.00 C ATOM 0 H ILE A 95 -11.897 12.329 -35.490 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.198 13.945 -35.368 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.251 14.688 -35.608 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.963 14.630 -33.112 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.071 13.221 -33.651 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.926 16.850 -34.640 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.702 16.564 -36.216 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.632 16.347 -34.714 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.812 14.461 -31.961 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.959 14.492 -33.523 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.865 15.923 -32.975 1.00 0.00 H new ATOM 553 N ARG A 96 -12.582 13.888 -38.212 1.00 0.00 N ATOM 554 CA ARG A 96 -12.629 14.302 -39.609 1.00 0.00 C ATOM 555 C ARG A 96 -13.926 13.843 -40.269 1.00 0.00 C ATOM 556 O ARG A 96 -14.408 14.467 -41.215 1.00 0.00 O ATOM 557 CB ARG A 96 -11.429 13.736 -40.371 1.00 0.00 C ATOM 558 CG ARG A 96 -10.368 14.776 -40.694 1.00 0.00 C ATOM 559 CD ARG A 96 -10.712 15.550 -41.956 1.00 0.00 C ATOM 560 NE ARG A 96 -11.691 16.604 -41.701 1.00 0.00 N ATOM 561 CZ ARG A 96 -11.422 17.706 -41.010 1.00 0.00 C ATOM 562 NH1 ARG A 96 -10.210 17.897 -40.507 1.00 0.00 N ATOM 563 NH2 ARG A 96 -12.365 18.619 -40.821 1.00 0.00 N ATOM 0 H ARG A 96 -11.888 13.169 -38.008 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.591 15.391 -39.641 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.977 12.939 -39.780 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.779 13.285 -41.300 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.269 15.468 -39.858 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.403 14.286 -40.819 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.805 15.990 -42.370 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.105 14.864 -42.706 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.633 16.487 -42.074 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.482 17.197 -40.650 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.006 18.744 -39.977 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.298 18.475 -41.206 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.157 19.465 -40.290 1.00 0.00 H new ATOM 577 N ARG A 97 -14.486 12.748 -39.764 1.00 0.00 N ATOM 578 CA ARG A 97 -15.726 12.205 -40.305 1.00 0.00 C ATOM 579 C ARG A 97 -15.468 11.458 -41.610 1.00 0.00 C ATOM 580 O ARG A 97 -15.990 10.364 -41.825 1.00 0.00 O ATOM 581 CB ARG A 97 -16.740 13.326 -40.538 1.00 0.00 C ATOM 582 CG ARG A 97 -18.159 12.956 -40.139 1.00 0.00 C ATOM 583 CD ARG A 97 -19.151 14.037 -40.541 1.00 0.00 C ATOM 584 NE ARG A 97 -20.308 14.077 -39.651 1.00 0.00 N ATOM 585 CZ ARG A 97 -21.339 14.896 -39.822 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.357 15.740 -40.844 1.00 0.00 N ATOM 587 NH2 ARG A 97 -22.355 14.873 -38.969 1.00 0.00 N ATOM 0 H ARG A 97 -14.100 12.220 -38.981 1.00 0.00 H new ATOM 0 HA ARG A 97 -16.133 11.502 -39.578 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.431 14.207 -39.975 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.728 13.602 -41.592 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.436 12.013 -40.610 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.206 12.800 -39.061 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.653 15.007 -40.532 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.486 13.860 -41.563 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.325 13.441 -38.854 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.578 15.761 -41.502 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.150 16.368 -40.973 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -22.345 14.226 -38.181 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -23.146 15.503 -39.101 1.00 0.00 H new ATOM 601 N LEU A 98 -14.661 12.057 -42.479 1.00 0.00 N ATOM 602 CA LEU A 98 -14.334 11.449 -43.764 1.00 0.00 C ATOM 603 C LEU A 98 -13.167 10.477 -43.626 1.00 0.00 C ATOM 604 O LEU A 98 -12.016 10.911 -43.648 1.00 0.00 O ATOM 605 CB LEU A 98 -13.992 12.532 -44.790 1.00 0.00 C ATOM 606 CG LEU A 98 -13.928 12.077 -46.248 1.00 0.00 C ATOM 607 CD1 LEU A 98 -15.321 12.037 -46.857 1.00 0.00 C ATOM 608 CD2 LEU A 98 -13.019 12.995 -47.053 1.00 0.00 C ATOM 0 H LEU A 98 -14.221 12.963 -42.317 1.00 0.00 H new ATOM 0 HA LEU A 98 -15.206 10.893 -44.108 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.733 13.327 -44.710 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.029 12.966 -44.523 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.513 11.070 -46.276 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.255 11.711 -47.895 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.943 11.339 -46.296 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.764 13.032 -46.817 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.985 12.657 -48.089 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.406 14.013 -47.017 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.014 12.973 -46.631 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 17.715 -19.212 2.413 1.00 0.00 N ATOM 622 CA ARG B 61 16.753 -18.131 2.592 1.00 0.00 C ATOM 623 C ARG B 61 17.024 -16.994 1.610 1.00 0.00 C ATOM 624 O ARG B 61 16.792 -15.825 1.919 1.00 0.00 O ATOM 625 CB ARG B 61 16.807 -17.604 4.027 1.00 0.00 C ATOM 626 CG ARG B 61 18.167 -17.050 4.422 1.00 0.00 C ATOM 627 CD ARG B 61 19.006 -18.095 5.141 1.00 0.00 C ATOM 628 NE ARG B 61 18.520 -18.349 6.495 1.00 0.00 N ATOM 629 CZ ARG B 61 18.944 -19.356 7.250 1.00 0.00 C ATOM 630 NH1 ARG B 61 19.857 -20.199 6.786 1.00 0.00 N ATOM 631 NH2 ARG B 61 18.454 -19.522 8.472 1.00 0.00 N ATOM 0 HA ARG B 61 15.757 -18.528 2.396 1.00 0.00 H new ATOM 0 HB2 ARG B 61 16.057 -16.822 4.146 1.00 0.00 H new ATOM 0 HB3 ARG B 61 16.540 -18.409 4.711 1.00 0.00 H new ATOM 0 HG2 ARG B 61 18.694 -16.708 3.532 1.00 0.00 H new ATOM 0 HG3 ARG B 61 18.034 -16.182 5.067 1.00 0.00 H new ATOM 0 HD2 ARG B 61 18.994 -19.024 4.571 1.00 0.00 H new ATOM 0 HD3 ARG B 61 20.043 -17.761 5.184 1.00 0.00 H new ATOM 0 HE ARG B 61 17.817 -17.719 6.881 1.00 0.00 H new ATOM 0 HH11 ARG B 61 20.235 -20.075 5.847 1.00 0.00 H new ATOM 0 HH12 ARG B 61 20.181 -20.971 7.368 1.00 0.00 H new ATOM 0 HH21 ARG B 61 17.751 -18.876 8.832 1.00 0.00 H new ATOM 0 HH22 ARG B 61 18.780 -20.296 9.051 1.00 0.00 H new ATOM 645 N VAL B 62 17.517 -17.346 0.427 1.00 0.00 N ATOM 646 CA VAL B 62 17.819 -16.356 -0.600 1.00 0.00 C ATOM 647 C VAL B 62 17.541 -16.908 -1.994 1.00 0.00 C ATOM 648 O VAL B 62 18.465 -17.212 -2.747 1.00 0.00 O ATOM 649 CB VAL B 62 19.288 -15.899 -0.525 1.00 0.00 C ATOM 650 CG1 VAL B 62 19.545 -14.764 -1.505 1.00 0.00 C ATOM 651 CG2 VAL B 62 19.643 -15.480 0.894 1.00 0.00 C ATOM 0 H VAL B 62 17.716 -18.309 0.156 1.00 0.00 H new ATOM 0 HA VAL B 62 17.170 -15.500 -0.415 1.00 0.00 H new ATOM 0 HB VAL B 62 19.926 -16.738 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL B 62 20.588 -14.454 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL B 62 19.332 -15.103 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL B 62 18.900 -13.920 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL B 62 20.684 -15.160 0.929 1.00 0.00 H new ATOM 0 HG22 VAL B 62 19.000 -14.656 1.202 1.00 0.00 H new ATOM 0 HG23 VAL B 62 19.500 -16.324 1.569 1.00 0.00 H new ATOM 661 N GLN B 63 16.261 -17.032 -2.330 1.00 0.00 N ATOM 662 CA GLN B 63 15.861 -17.548 -3.634 1.00 0.00 C ATOM 663 C GLN B 63 15.881 -16.444 -4.686 1.00 0.00 C ATOM 664 O GLN B 63 15.660 -15.272 -4.376 1.00 0.00 O ATOM 665 CB GLN B 63 14.465 -18.168 -3.555 1.00 0.00 C ATOM 666 CG GLN B 63 14.145 -19.097 -4.715 1.00 0.00 C ATOM 667 CD GLN B 63 12.683 -19.496 -4.757 1.00 0.00 C ATOM 668 OE1 GLN B 63 12.341 -20.666 -4.584 1.00 0.00 O ATOM 669 NE2 GLN B 63 11.810 -18.522 -4.987 1.00 0.00 N ATOM 0 H GLN B 63 15.484 -16.783 -1.718 1.00 0.00 H new ATOM 0 HA GLN B 63 16.576 -18.317 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN B 63 14.375 -18.723 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.723 -17.370 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN B 63 14.411 -18.607 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN B 63 14.760 -19.993 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN B 63 12.137 -17.566 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN B 63 10.812 -18.730 -5.026 1.00 0.00 H new ATOM 678 N LEU B 64 16.148 -16.824 -5.930 1.00 0.00 N ATOM 679 CA LEU B 64 16.198 -15.865 -7.029 1.00 0.00 C ATOM 680 C LEU B 64 16.075 -16.572 -8.375 1.00 0.00 C ATOM 681 O LEU B 64 16.485 -17.723 -8.522 1.00 0.00 O ATOM 682 CB LEU B 64 17.502 -15.067 -6.977 1.00 0.00 C ATOM 683 CG LEU B 64 18.791 -15.877 -7.125 1.00 0.00 C ATOM 684 CD1 LEU B 64 19.889 -15.025 -7.742 1.00 0.00 C ATOM 685 CD2 LEU B 64 19.233 -16.425 -5.776 1.00 0.00 C ATOM 0 H LEU B 64 16.333 -17.789 -6.204 1.00 0.00 H new ATOM 0 HA LEU B 64 15.356 -15.181 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU B 64 17.476 -14.315 -7.766 1.00 0.00 H new ATOM 0 HB3 LEU B 64 17.540 -14.532 -6.028 1.00 0.00 H new ATOM 0 HG LEU B 64 18.595 -16.718 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU B 64 20.798 -15.618 -7.839 1.00 0.00 H new ATOM 0 HD12 LEU B 64 19.573 -14.681 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU B 64 20.084 -14.164 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU B 64 20.152 -16.999 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU B 64 19.411 -15.598 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU B 64 18.453 -17.071 -5.373 1.00 0.00 H new ATOM 697 N ALA B 65 15.508 -15.875 -9.354 1.00 0.00 N ATOM 698 CA ALA B 65 15.335 -16.435 -10.689 1.00 0.00 C ATOM 699 C ALA B 65 15.077 -15.337 -11.715 1.00 0.00 C ATOM 700 O ALA B 65 15.983 -14.928 -12.442 1.00 0.00 O ATOM 701 CB ALA B 65 14.195 -17.443 -10.695 1.00 0.00 C ATOM 0 H ALA B 65 15.161 -14.922 -9.248 1.00 0.00 H new ATOM 0 HA ALA B 65 16.258 -16.945 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA B 65 14.077 -17.853 -11.698 1.00 0.00 H new ATOM 0 HB2 ALA B 65 14.419 -18.250 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA B 65 13.271 -16.949 -10.394 1.00 0.00 H new ATOM 707 N HIS B 66 13.837 -14.863 -11.770 1.00 0.00 N ATOM 708 CA HIS B 66 13.460 -13.812 -12.708 1.00 0.00 C ATOM 709 C HIS B 66 14.002 -14.110 -14.104 1.00 0.00 C ATOM 710 O HIS B 66 15.067 -13.622 -14.484 1.00 0.00 O ATOM 711 CB HIS B 66 13.980 -12.458 -12.225 1.00 0.00 C ATOM 712 CG HIS B 66 13.797 -11.355 -13.222 1.00 0.00 C ATOM 713 ND1 HIS B 66 14.806 -10.482 -13.572 1.00 0.00 N ATOM 714 CD2 HIS B 66 12.715 -10.988 -13.947 1.00 0.00 C ATOM 715 CE1 HIS B 66 14.351 -9.624 -14.468 1.00 0.00 C ATOM 716 NE2 HIS B 66 13.085 -9.910 -14.713 1.00 0.00 N ATOM 0 H HIS B 66 13.075 -15.190 -11.176 1.00 0.00 H new ATOM 0 HA HIS B 66 12.372 -13.778 -12.759 1.00 0.00 H new ATOM 0 HB2 HIS B 66 13.468 -12.190 -11.301 1.00 0.00 H new ATOM 0 HB3 HIS B 66 15.040 -12.549 -11.987 1.00 0.00 H new ATOM 0 HD2 HIS B 66 11.742 -11.456 -13.927 1.00 0.00 H new ATOM 0 HE1 HIS B 66 14.918 -8.825 -14.923 1.00 0.00 H new ATOM 0 HE2 HIS B 66 12.480 -9.411 -15.365 1.00 0.00 H new ATOM 724 N HIS B 67 13.262 -14.913 -14.861 1.00 0.00 N ATOM 725 CA HIS B 67 13.668 -15.275 -16.215 1.00 0.00 C ATOM 726 C HIS B 67 12.601 -16.131 -16.891 1.00 0.00 C ATOM 727 O HIS B 67 12.160 -15.829 -18.000 1.00 0.00 O ATOM 728 CB HIS B 67 14.999 -16.027 -16.186 1.00 0.00 C ATOM 729 CG HIS B 67 15.464 -16.472 -17.538 1.00 0.00 C ATOM 730 ND1 HIS B 67 15.468 -17.792 -17.936 1.00 0.00 N ATOM 731 CD2 HIS B 67 15.942 -15.763 -18.588 1.00 0.00 C ATOM 732 CE1 HIS B 67 15.929 -17.876 -19.171 1.00 0.00 C ATOM 733 NE2 HIS B 67 16.224 -16.658 -19.590 1.00 0.00 N ATOM 0 H HIS B 67 12.379 -15.325 -14.561 1.00 0.00 H new ATOM 0 HA HIS B 67 13.790 -14.357 -16.790 1.00 0.00 H new ATOM 0 HB2 HIS B 67 15.760 -15.385 -15.742 1.00 0.00 H new ATOM 0 HB3 HIS B 67 14.900 -16.899 -15.539 1.00 0.00 H new ATOM 0 HD2 HIS B 67 16.076 -14.692 -18.629 1.00 0.00 H new ATOM 0 HE1 HIS B 67 16.045 -18.786 -19.741 1.00 0.00 H new ATOM 0 HE2 HIS B 67 16.600 -16.421 -20.508 1.00 0.00 H new ATOM 741 N PHE B 68 12.190 -17.200 -16.216 1.00 0.00 N ATOM 742 CA PHE B 68 11.177 -18.100 -16.753 1.00 0.00 C ATOM 743 C PHE B 68 9.889 -17.344 -17.065 1.00 0.00 C ATOM 744 O PHE B 68 9.721 -16.191 -16.669 1.00 0.00 O ATOM 745 CB PHE B 68 10.891 -19.229 -15.761 1.00 0.00 C ATOM 746 CG PHE B 68 10.815 -20.586 -16.402 1.00 0.00 C ATOM 747 CD1 PHE B 68 11.937 -21.155 -16.982 1.00 0.00 C ATOM 748 CD2 PHE B 68 9.623 -21.290 -16.425 1.00 0.00 C ATOM 749 CE1 PHE B 68 11.871 -22.403 -17.573 1.00 0.00 C ATOM 750 CE2 PHE B 68 9.551 -22.539 -17.013 1.00 0.00 C ATOM 751 CZ PHE B 68 10.676 -23.095 -17.589 1.00 0.00 C ATOM 0 H PHE B 68 12.543 -17.464 -15.296 1.00 0.00 H new ATOM 0 HA PHE B 68 11.560 -18.528 -17.679 1.00 0.00 H new ATOM 0 HB2 PHE B 68 11.671 -19.239 -15.000 1.00 0.00 H new ATOM 0 HB3 PHE B 68 9.950 -19.024 -15.251 1.00 0.00 H new ATOM 0 HD1 PHE B 68 12.874 -20.618 -16.972 1.00 0.00 H new ATOM 0 HD2 PHE B 68 8.739 -20.858 -15.978 1.00 0.00 H new ATOM 0 HE1 PHE B 68 12.753 -22.836 -18.022 1.00 0.00 H new ATOM 0 HE2 PHE B 68 8.616 -23.079 -17.022 1.00 0.00 H new ATOM 0 HZ PHE B 68 10.621 -24.070 -18.051 1.00 0.00 H new ATOM 761 N SER B 69 8.981 -18.003 -17.779 1.00 0.00 N ATOM 762 CA SER B 69 7.710 -17.393 -18.150 1.00 0.00 C ATOM 763 C SER B 69 7.912 -16.321 -19.217 1.00 0.00 C ATOM 764 O SER B 69 8.970 -16.243 -19.840 1.00 0.00 O ATOM 765 CB SER B 69 7.035 -16.783 -16.920 1.00 0.00 C ATOM 766 OG SER B 69 5.641 -16.632 -17.125 1.00 0.00 O ATOM 0 H SER B 69 9.103 -18.959 -18.112 1.00 0.00 H new ATOM 0 HA SER B 69 7.067 -18.172 -18.560 1.00 0.00 H new ATOM 0 HB2 SER B 69 7.211 -17.418 -16.052 1.00 0.00 H new ATOM 0 HB3 SER B 69 7.481 -15.813 -16.701 1.00 0.00 H new ATOM 0 HG SER B 69 5.233 -16.242 -16.324 1.00 0.00 H new ATOM 772 N GLU B 70 6.888 -15.498 -19.421 1.00 0.00 N ATOM 773 CA GLU B 70 6.953 -14.432 -20.414 1.00 0.00 C ATOM 774 C GLU B 70 6.512 -13.101 -19.811 1.00 0.00 C ATOM 775 O GLU B 70 5.457 -12.559 -20.143 1.00 0.00 O ATOM 776 CB GLU B 70 6.076 -14.773 -21.620 1.00 0.00 C ATOM 777 CG GLU B 70 6.382 -16.131 -22.230 1.00 0.00 C ATOM 778 CD GLU B 70 5.584 -17.251 -21.590 1.00 0.00 C ATOM 779 OE1 GLU B 70 4.392 -17.033 -21.287 1.00 0.00 O ATOM 780 OE2 GLU B 70 6.153 -18.345 -21.392 1.00 0.00 O ATOM 0 H GLU B 70 6.005 -15.549 -18.913 1.00 0.00 H new ATOM 0 HA GLU B 70 7.988 -14.339 -20.742 1.00 0.00 H new ATOM 0 HB2 GLU B 70 5.029 -14.748 -21.316 1.00 0.00 H new ATOM 0 HB3 GLU B 70 6.205 -14.004 -22.382 1.00 0.00 H new ATOM 0 HG2 GLU B 70 6.168 -16.102 -23.298 1.00 0.00 H new ATOM 0 HG3 GLU B 70 7.446 -16.341 -22.124 1.00 0.00 H new ATOM 787 N PRO B 71 7.338 -12.560 -18.903 1.00 0.00 N ATOM 788 CA PRO B 71 7.056 -11.286 -18.235 1.00 0.00 C ATOM 789 C PRO B 71 7.162 -10.098 -19.184 1.00 0.00 C ATOM 790 O PRO B 71 6.385 -9.148 -19.092 1.00 0.00 O ATOM 791 CB PRO B 71 8.136 -11.206 -17.154 1.00 0.00 C ATOM 792 CG PRO B 71 9.255 -12.042 -17.673 1.00 0.00 C ATOM 793 CD PRO B 71 8.613 -13.150 -18.460 1.00 0.00 C ATOM 0 HA PRO B 71 6.039 -11.247 -17.844 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.455 -10.177 -16.988 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.769 -11.584 -16.200 1.00 0.00 H new ATOM 0 HG2 PRO B 71 9.923 -11.453 -18.302 1.00 0.00 H new ATOM 0 HG3 PRO B 71 9.856 -12.441 -16.856 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.231 -13.453 -19.305 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.454 -14.038 -17.848 1.00 0.00 H new ATOM 801 N GLU B 72 8.128 -10.158 -20.095 1.00 0.00 N ATOM 802 CA GLU B 72 8.335 -9.085 -21.061 1.00 0.00 C ATOM 803 C GLU B 72 7.036 -8.748 -21.786 1.00 0.00 C ATOM 804 O GLU B 72 6.587 -7.601 -21.778 1.00 0.00 O ATOM 805 CB GLU B 72 9.410 -9.481 -22.075 1.00 0.00 C ATOM 806 CG GLU B 72 10.828 -9.243 -21.584 1.00 0.00 C ATOM 807 CD GLU B 72 11.851 -10.080 -22.325 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.536 -10.559 -23.434 1.00 0.00 O ATOM 809 OE2 GLU B 72 12.969 -10.257 -21.796 1.00 0.00 O ATOM 0 H GLU B 72 8.779 -10.938 -20.185 1.00 0.00 H new ATOM 0 HA GLU B 72 8.667 -8.201 -20.517 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.293 -10.536 -22.323 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.254 -8.918 -22.995 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.076 -8.188 -21.699 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.882 -9.469 -20.519 1.00 0.00 H new ATOM 816 N ILE B 73 6.437 -9.755 -22.413 1.00 0.00 N ATOM 817 CA ILE B 73 5.189 -9.566 -23.143 1.00 0.00 C ATOM 818 C ILE B 73 4.163 -8.823 -22.295 1.00 0.00 C ATOM 819 O ILE B 73 3.595 -7.818 -22.724 1.00 0.00 O ATOM 820 CB ILE B 73 4.590 -10.912 -23.592 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.588 -11.671 -24.470 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.284 -10.688 -24.339 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.023 -10.901 -25.696 1.00 0.00 C ATOM 0 H ILE B 73 6.795 -10.710 -22.430 1.00 0.00 H new ATOM 0 HA ILE B 73 5.426 -8.971 -24.025 1.00 0.00 H new ATOM 0 HB ILE B 73 4.381 -11.513 -22.707 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.467 -11.918 -23.875 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.140 -12.614 -24.783 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.873 -11.649 -24.650 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.573 -10.184 -23.685 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.469 -10.071 -25.218 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.730 -11.500 -26.270 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.153 -10.677 -26.312 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.501 -9.970 -25.390 1.00 0.00 H new ATOM 835 N THR B 74 3.929 -9.324 -21.085 1.00 0.00 N ATOM 836 CA THR B 74 2.972 -8.709 -20.175 1.00 0.00 C ATOM 837 C THR B 74 3.219 -7.210 -20.048 1.00 0.00 C ATOM 838 O THR B 74 2.291 -6.406 -20.151 1.00 0.00 O ATOM 839 CB THR B 74 3.036 -9.349 -18.775 1.00 0.00 C ATOM 840 OG1 THR B 74 2.791 -10.756 -18.868 1.00 0.00 O ATOM 841 CG2 THR B 74 2.017 -8.712 -17.842 1.00 0.00 C ATOM 0 H THR B 74 4.390 -10.155 -20.714 1.00 0.00 H new ATOM 0 HA THR B 74 1.981 -8.877 -20.598 1.00 0.00 H new ATOM 0 HB THR B 74 4.033 -9.181 -18.368 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.835 -11.156 -17.974 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.081 -9.180 -16.860 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.224 -7.646 -17.750 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.015 -8.853 -18.247 1.00 0.00 H new ATOM 849 N LEU B 75 4.475 -6.839 -19.825 1.00 0.00 N ATOM 850 CA LEU B 75 4.845 -5.435 -19.685 1.00 0.00 C ATOM 851 C LEU B 75 4.414 -4.634 -20.909 1.00 0.00 C ATOM 852 O LEU B 75 3.803 -3.572 -20.783 1.00 0.00 O ATOM 853 CB LEU B 75 6.355 -5.303 -19.481 1.00 0.00 C ATOM 854 CG LEU B 75 6.929 -5.998 -18.246 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.448 -6.030 -18.309 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.461 -5.302 -16.976 1.00 0.00 C ATOM 0 H LEU B 75 5.254 -7.491 -19.737 1.00 0.00 H new ATOM 0 HA LEU B 75 4.330 -5.034 -18.812 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.857 -5.701 -20.363 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.602 -4.243 -19.425 1.00 0.00 H new ATOM 0 HG LEU B 75 6.565 -7.025 -18.229 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.839 -6.528 -17.422 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.764 -6.574 -19.199 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.832 -5.011 -18.351 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.879 -5.810 -16.107 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.795 -4.265 -16.985 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.373 -5.332 -16.925 1.00 0.00 H new ATOM 868 N ILE B 76 4.733 -5.150 -22.090 1.00 0.00 N ATOM 869 CA ILE B 76 4.376 -4.484 -23.337 1.00 0.00 C ATOM 870 C ILE B 76 2.874 -4.229 -23.413 1.00 0.00 C ATOM 871 O ILE B 76 2.437 -3.134 -23.767 1.00 0.00 O ATOM 872 CB ILE B 76 4.807 -5.312 -24.562 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.299 -5.643 -24.481 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.495 -4.559 -25.846 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.189 -4.420 -24.457 1.00 0.00 C ATOM 0 H ILE B 76 5.238 -6.028 -22.210 1.00 0.00 H new ATOM 0 HA ILE B 76 4.906 -3.531 -23.349 1.00 0.00 H new ATOM 0 HB ILE B 76 4.246 -6.247 -24.567 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.484 -6.234 -23.584 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.572 -6.264 -25.334 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.805 -5.157 -26.703 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.423 -4.369 -25.905 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.032 -3.611 -25.851 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.232 -4.730 -24.399 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.033 -3.839 -25.366 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.944 -3.808 -23.589 1.00 0.00 H new ATOM 887 N ILE B 77 2.089 -5.247 -23.076 1.00 0.00 N ATOM 888 CA ILE B 77 0.637 -5.133 -23.103 1.00 0.00 C ATOM 889 C ILE B 77 0.145 -4.123 -22.071 1.00 0.00 C ATOM 890 O ILE B 77 -0.633 -3.223 -22.388 1.00 0.00 O ATOM 891 CB ILE B 77 -0.040 -6.491 -22.840 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.408 -7.519 -23.880 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.554 -6.340 -22.854 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.343 -8.830 -23.797 1.00 0.00 C ATOM 0 H ILE B 77 2.435 -6.160 -22.781 1.00 0.00 H new ATOM 0 HA ILE B 77 0.366 -4.789 -24.101 1.00 0.00 H new ATOM 0 HB ILE B 77 0.261 -6.845 -21.854 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.277 -7.097 -24.876 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.473 -7.711 -23.753 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.018 -7.308 -22.667 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.857 -5.636 -22.078 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.873 -5.967 -23.827 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.027 -9.510 -24.564 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.191 -9.275 -22.813 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.407 -8.651 -23.954 1.00 0.00 H new ATOM 906 N PHE B 78 0.606 -4.278 -20.834 1.00 0.00 N ATOM 907 CA PHE B 78 0.214 -3.380 -19.754 1.00 0.00 C ATOM 908 C PHE B 78 0.492 -1.927 -20.128 1.00 0.00 C ATOM 909 O PHE B 78 -0.369 -1.061 -19.981 1.00 0.00 O ATOM 910 CB PHE B 78 0.960 -3.739 -18.468 1.00 0.00 C ATOM 911 CG PHE B 78 0.796 -2.721 -17.376 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.263 -2.803 -16.487 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.703 -1.682 -17.238 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.416 -1.867 -15.482 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.555 -0.743 -16.235 1.00 0.00 C ATOM 916 CZ PHE B 78 0.495 -0.836 -15.355 1.00 0.00 C ATOM 0 H PHE B 78 1.251 -5.017 -20.555 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.857 -3.496 -19.589 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.605 -4.705 -18.109 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.021 -3.852 -18.692 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.977 -3.608 -16.580 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.535 -1.605 -17.922 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.247 -1.941 -14.796 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.268 0.063 -16.140 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.378 -0.104 -14.569 1.00 0.00 H new ATOM 926 N GLY B 79 1.703 -1.668 -20.612 1.00 0.00 N ATOM 927 CA GLY B 79 2.074 -0.319 -20.999 1.00 0.00 C ATOM 928 C GLY B 79 1.120 0.276 -22.016 1.00 0.00 C ATOM 929 O GLY B 79 0.549 1.343 -21.792 1.00 0.00 O ATOM 0 H GLY B 79 2.433 -2.368 -20.743 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.098 0.316 -20.113 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.082 -0.327 -21.413 1.00 0.00 H new ATOM 933 N VAL B 80 0.947 -0.415 -23.138 1.00 0.00 N ATOM 934 CA VAL B 80 0.056 0.051 -24.194 1.00 0.00 C ATOM 935 C VAL B 80 -1.375 0.185 -23.685 1.00 0.00 C ATOM 936 O VAL B 80 -2.117 1.067 -24.116 1.00 0.00 O ATOM 937 CB VAL B 80 0.073 -0.901 -25.404 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.807 -0.362 -26.521 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.497 -1.116 -25.893 1.00 0.00 C ATOM 0 H VAL B 80 1.412 -1.300 -23.339 1.00 0.00 H new ATOM 0 HA VAL B 80 0.420 1.029 -24.507 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.329 -1.865 -25.091 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.782 -1.048 -27.367 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.832 -0.265 -26.162 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.439 0.615 -26.835 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.490 -1.791 -26.748 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.928 -0.160 -26.189 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.095 -1.551 -25.092 1.00 0.00 H new ATOM 949 N MET B 81 -1.756 -0.697 -22.767 1.00 0.00 N ATOM 950 CA MET B 81 -3.098 -0.676 -22.198 1.00 0.00 C ATOM 951 C MET B 81 -3.327 0.598 -21.391 1.00 0.00 C ATOM 952 O MET B 81 -4.368 1.243 -21.514 1.00 0.00 O ATOM 953 CB MET B 81 -3.319 -1.902 -21.311 1.00 0.00 C ATOM 954 CG MET B 81 -3.581 -3.179 -22.092 1.00 0.00 C ATOM 955 SD MET B 81 -5.313 -3.362 -22.562 1.00 0.00 S ATOM 956 CE MET B 81 -5.365 -5.101 -22.990 1.00 0.00 C ATOM 0 H MET B 81 -1.154 -1.435 -22.401 1.00 0.00 H new ATOM 0 HA MET B 81 -3.814 -0.698 -23.020 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.442 -2.046 -20.679 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.163 -1.712 -20.647 1.00 0.00 H new ATOM 0 HG2 MET B 81 -2.962 -3.185 -22.989 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.279 -4.037 -21.491 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.374 -5.369 -23.302 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.669 -5.296 -23.806 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.083 -5.698 -22.122 1.00 0.00 H new ATOM 966 N ALA B 82 -2.348 0.955 -20.567 1.00 0.00 N ATOM 967 CA ALA B 82 -2.442 2.153 -19.742 1.00 0.00 C ATOM 968 C ALA B 82 -2.446 3.413 -20.601 1.00 0.00 C ATOM 969 O ALA B 82 -3.255 4.316 -20.392 1.00 0.00 O ATOM 970 CB ALA B 82 -1.296 2.197 -18.742 1.00 0.00 C ATOM 0 H ALA B 82 -1.480 0.431 -20.453 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.385 2.115 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.379 3.097 -18.133 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.340 1.318 -18.099 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.346 2.207 -19.277 1.00 0.00 H new ATOM 976 N GLY B 83 -1.535 3.467 -21.568 1.00 0.00 N ATOM 977 CA GLY B 83 -1.451 4.621 -22.444 1.00 0.00 C ATOM 978 C GLY B 83 -2.705 4.813 -23.273 1.00 0.00 C ATOM 979 O GLY B 83 -3.291 5.895 -23.285 1.00 0.00 O ATOM 0 H GLY B 83 -0.854 2.732 -21.760 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.274 5.515 -21.846 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.594 4.507 -23.108 1.00 0.00 H new ATOM 983 N VAL B 84 -3.118 3.759 -23.971 1.00 0.00 N ATOM 984 CA VAL B 84 -4.311 3.817 -24.807 1.00 0.00 C ATOM 985 C VAL B 84 -5.515 4.312 -24.015 1.00 0.00 C ATOM 986 O VAL B 84 -6.131 5.319 -24.367 1.00 0.00 O ATOM 987 CB VAL B 84 -4.640 2.438 -25.411 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.010 2.458 -26.072 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.565 2.023 -26.405 1.00 0.00 C ATOM 0 H VAL B 84 -2.644 2.856 -23.974 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.098 4.518 -25.614 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.662 1.703 -24.606 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.225 1.476 -26.493 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.768 2.709 -25.330 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.019 3.203 -26.867 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.813 1.047 -26.822 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.509 2.758 -27.208 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.602 1.967 -25.897 1.00 0.00 H new ATOM 999 N ILE B 85 -5.845 3.600 -22.943 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.974 3.969 -22.099 1.00 0.00 C ATOM 1001 C ILE B 85 -6.842 5.404 -21.600 1.00 0.00 C ATOM 1002 O ILE B 85 -7.821 6.148 -21.552 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.104 3.026 -20.888 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.368 1.593 -21.355 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.215 3.501 -19.963 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.702 1.420 -22.047 1.00 0.00 C ATOM 0 H ILE B 85 -5.346 2.764 -22.638 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.869 3.882 -22.715 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.166 3.040 -20.334 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.573 1.289 -22.035 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.325 0.925 -20.495 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.294 2.824 -19.112 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.988 4.506 -19.607 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.160 3.514 -20.506 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.822 0.380 -22.351 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.505 1.693 -21.362 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.741 2.062 -22.927 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.624 5.787 -21.230 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.385 7.132 -20.742 1.00 0.00 C ATOM 1020 C GLY B 86 -5.765 8.193 -21.755 1.00 0.00 C ATOM 1021 O GLY B 86 -6.513 9.121 -21.444 1.00 0.00 O ATOM 0 H GLY B 86 -4.798 5.189 -21.260 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.954 7.289 -19.826 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.331 7.240 -20.485 1.00 0.00 H new ATOM 1025 N THR B 87 -5.248 8.059 -22.972 1.00 0.00 N ATOM 1026 CA THR B 87 -5.535 9.015 -24.034 1.00 0.00 C ATOM 1027 C THR B 87 -7.035 9.127 -24.283 1.00 0.00 C ATOM 1028 O THR B 87 -7.570 10.227 -24.419 1.00 0.00 O ATOM 1029 CB THR B 87 -4.836 8.621 -25.349 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.520 8.127 -25.076 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.751 9.810 -26.294 1.00 0.00 C ATOM 0 H THR B 87 -4.628 7.297 -23.247 1.00 0.00 H new ATOM 0 HA THR B 87 -5.152 9.980 -23.702 1.00 0.00 H new ATOM 0 HB THR B 87 -5.425 7.838 -25.827 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.048 8.758 -24.493 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.254 9.508 -27.216 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.756 10.165 -26.524 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.183 10.611 -25.821 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.707 7.982 -24.340 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.146 7.953 -24.570 1.00 0.00 C ATOM 1041 C ILE B 88 -9.883 8.825 -23.559 1.00 0.00 C ATOM 1042 O ILE B 88 -10.694 9.674 -23.930 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.700 6.518 -24.493 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.034 5.633 -25.549 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.210 6.522 -24.674 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.151 4.153 -25.260 1.00 0.00 C ATOM 0 H ILE B 88 -7.278 7.063 -24.230 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.312 8.345 -25.573 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.473 6.110 -23.508 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.482 5.841 -26.521 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.979 5.898 -25.621 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.586 5.500 -24.617 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.669 7.122 -23.888 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.459 6.946 -25.647 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.656 3.588 -26.050 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.678 3.930 -24.304 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.203 3.873 -25.218 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.593 8.611 -22.280 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.227 9.379 -21.214 1.00 0.00 C ATOM 1060 C LEU B 89 -10.002 10.874 -21.413 1.00 0.00 C ATOM 1061 O LEU B 89 -10.951 11.660 -21.420 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.679 8.946 -19.853 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.194 7.609 -19.317 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.175 6.982 -18.379 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.528 7.797 -18.609 1.00 0.00 C ATOM 0 H LEU B 89 -8.924 7.913 -21.956 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.299 9.184 -21.246 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.592 8.893 -19.921 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.915 9.722 -19.125 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.344 6.935 -20.160 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.559 6.032 -18.008 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.242 6.812 -18.917 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.992 7.653 -17.539 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.880 6.836 -18.234 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.403 8.488 -17.775 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.258 8.202 -19.310 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.742 11.261 -21.576 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.392 12.663 -21.777 1.00 0.00 C ATOM 1079 C LEU B 90 -9.113 13.235 -22.993 1.00 0.00 C ATOM 1080 O LEU B 90 -9.762 14.278 -22.908 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.879 12.812 -21.951 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.030 12.530 -20.711 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.658 12.011 -21.110 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.901 13.783 -19.857 1.00 0.00 C ATOM 0 H LEU B 90 -7.945 10.624 -21.573 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.707 13.220 -20.895 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.557 12.141 -22.747 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.670 13.828 -22.286 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.528 11.761 -20.120 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.068 11.816 -20.214 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.769 11.088 -21.679 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.151 12.756 -21.723 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.294 13.564 -18.979 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.426 14.573 -20.439 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.891 14.111 -19.541 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.997 12.545 -24.122 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.642 12.982 -25.355 1.00 0.00 C ATOM 1098 C ILE B 91 -11.139 13.184 -25.150 1.00 0.00 C ATOM 1099 O ILE B 91 -11.698 14.207 -25.546 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.422 11.970 -26.495 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.216 12.378 -27.343 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.671 11.865 -27.357 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.947 12.562 -26.540 1.00 0.00 C ATOM 0 H ILE B 91 -8.462 11.681 -24.209 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.184 13.932 -25.631 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.221 10.991 -26.059 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.046 11.619 -28.107 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -8.446 13.308 -27.863 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.501 11.146 -28.158 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.509 11.533 -26.744 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.899 12.840 -27.787 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.134 12.851 -27.206 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.099 13.341 -25.793 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.693 11.627 -26.041 1.00 0.00 H new ATOM 1115 N SER B 92 -11.784 12.202 -24.528 1.00 0.00 N ATOM 1116 CA SER B 92 -13.218 12.271 -24.272 1.00 0.00 C ATOM 1117 C SER B 92 -13.572 13.541 -23.505 1.00 0.00 C ATOM 1118 O SER B 92 -14.681 14.063 -23.626 1.00 0.00 O ATOM 1119 CB SER B 92 -13.676 11.041 -23.486 1.00 0.00 C ATOM 1120 OG SER B 92 -14.842 11.324 -22.731 1.00 0.00 O ATOM 0 H SER B 92 -11.336 11.349 -24.192 1.00 0.00 H new ATOM 0 HA SER B 92 -13.734 12.292 -25.232 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.875 10.219 -24.174 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.878 10.713 -22.820 1.00 0.00 H new ATOM 0 HG SER B 92 -15.116 10.522 -22.239 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.623 14.032 -22.716 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.835 15.239 -21.927 1.00 0.00 C ATOM 1128 C TYR B 93 -12.841 16.478 -22.817 1.00 0.00 C ATOM 1129 O TYR B 93 -13.602 17.418 -22.588 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.750 15.371 -20.857 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.078 16.384 -19.783 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.774 17.729 -19.953 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -12.690 15.995 -18.598 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.072 18.657 -18.974 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -12.993 16.917 -17.614 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.681 18.246 -17.807 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.979 19.167 -16.829 1.00 0.00 O ATOM 0 H TYR B 93 -11.700 13.613 -22.606 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.807 15.159 -21.441 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.591 14.399 -20.391 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.812 15.652 -21.336 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -11.297 18.054 -20.866 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -12.933 14.954 -18.443 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -11.829 19.699 -19.122 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -13.471 16.598 -16.700 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.406 18.714 -16.072 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.985 16.472 -23.835 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.907 17.600 -24.745 1.00 0.00 C ATOM 1149 C GLY B 94 -13.186 17.797 -25.534 1.00 0.00 C ATOM 1150 O GLY B 94 -13.604 18.929 -25.778 1.00 0.00 O ATOM 0 H GLY B 94 -11.345 15.706 -24.045 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.690 18.506 -24.179 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.077 17.449 -25.436 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.808 16.694 -25.935 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.047 16.751 -26.702 1.00 0.00 C ATOM 1156 C ILE B 95 -16.178 17.353 -25.875 1.00 0.00 C ATOM 1157 O ILE B 95 -17.075 18.004 -26.411 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.471 15.354 -27.193 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.375 14.743 -28.068 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.783 15.438 -27.958 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.506 13.246 -28.243 1.00 0.00 C ATOM 0 H ILE B 95 -13.475 15.750 -25.742 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.854 17.387 -27.566 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.619 14.709 -26.327 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -14.397 15.219 -29.049 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.403 14.966 -27.627 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.070 14.443 -28.299 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.560 15.836 -27.305 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.661 16.095 -28.819 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.696 12.881 -28.874 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.454 12.760 -27.269 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.463 13.017 -28.712 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.128 17.131 -24.565 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.149 17.651 -23.663 1.00 0.00 C ATOM 1175 C ARG B 96 -16.967 19.150 -23.444 1.00 0.00 C ATOM 1176 O ARG B 96 -17.934 19.912 -23.463 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.095 16.919 -22.321 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.462 16.691 -21.697 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.788 17.761 -20.666 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.792 17.227 -19.306 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.402 17.820 -18.286 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.053 18.960 -18.470 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.360 17.273 -17.078 1.00 0.00 N ATOM 0 H ARG B 96 -15.392 16.595 -24.105 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.123 17.483 -24.122 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.604 15.956 -22.461 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.480 17.493 -21.628 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.224 16.691 -22.477 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.489 15.709 -21.225 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.058 18.567 -20.737 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.763 18.194 -20.889 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.300 16.351 -19.130 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.087 19.384 -19.397 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -20.520 19.413 -17.685 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -18.859 16.397 -16.932 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -19.829 17.729 -16.295 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.722 19.566 -23.235 1.00 0.00 N ATOM 1198 CA ARG B 97 -15.414 20.973 -23.010 1.00 0.00 C ATOM 1199 C ARG B 97 -16.260 21.540 -21.874 1.00 0.00 C ATOM 1200 O ARG B 97 -16.553 22.736 -21.841 1.00 0.00 O ATOM 1201 CB ARG B 97 -15.650 21.780 -24.289 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.745 22.994 -24.419 1.00 0.00 C ATOM 1203 CD ARG B 97 -15.525 24.290 -24.261 1.00 0.00 C ATOM 1204 NE ARG B 97 -14.963 25.368 -25.069 1.00 0.00 N ATOM 1205 CZ ARG B 97 -15.436 26.609 -25.070 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -16.474 26.927 -24.308 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -14.871 27.536 -25.833 1.00 0.00 N ATOM 0 H ARG B 97 -14.910 18.948 -23.217 1.00 0.00 H new ATOM 0 HA ARG B 97 -14.363 21.049 -22.730 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -15.499 21.131 -25.151 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -16.689 22.108 -24.315 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.960 22.946 -23.664 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -14.253 22.980 -25.392 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -16.564 24.125 -24.548 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -15.527 24.586 -23.212 1.00 0.00 H new ATOM 0 HE ARG B 97 -14.163 25.157 -25.666 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -16.911 26.218 -23.719 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -16.835 27.881 -24.311 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -14.072 27.296 -26.420 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -15.236 28.489 -25.833 1.00 0.00 H new ATOM 1221 N LEU B 98 -16.650 20.675 -20.946 1.00 0.00 N ATOM 1222 CA LEU B 98 -17.464 21.088 -19.807 1.00 0.00 C ATOM 1223 C LEU B 98 -18.686 21.876 -20.269 1.00 0.00 C ATOM 1224 O LEU B 98 -18.662 23.105 -20.319 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.633 21.935 -18.842 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.345 22.397 -17.570 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.250 21.331 -16.489 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -16.758 23.712 -17.078 1.00 0.00 C ATOM 0 H LEU B 98 -16.416 19.682 -20.959 1.00 0.00 H new ATOM 0 HA LEU B 98 -17.806 20.191 -19.292 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -15.752 21.362 -18.553 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.279 22.816 -19.377 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.398 22.557 -17.803 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -17.762 21.677 -15.591 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.718 20.412 -16.842 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -16.202 21.139 -16.258 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -17.277 24.026 -16.172 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.698 23.579 -16.862 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -16.878 24.475 -17.847 1.00 0.00 H new TER 1240 LEU B 98