USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 GLN : amide:sc= -8.81! C(o=-9.6!,f=-11!) USER MOD Set 1.2: A 108 ASN : amide:sc= -0.741 K(o=-9.6,f=-14!) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 103 GLN : amide:sc= 0.003 X(o=0.003,f=0.35) USER MOD Set 3.1: A 62 ASN : amide:sc= -1.29 K(o=-2.9,f=-7.4!) USER MOD Set 3.2: A 74 MET CE :methyl -109:sc= -1.59 (180deg=-1.4) USER MOD Set 4.1: A 58 TYR OH : rot -68:sc= 0.105 USER MOD Set 4.2: A 60 THR OG1 : rot -154:sc= 0.104 USER MOD Single : A 9 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.37) USER MOD Single : A 13 GLN : amide:sc= 0.241 K(o=0.24,f=-1.4!) USER MOD Single : A 22 SER OG : rot -60:sc= 0.708 USER MOD Single : A 23 MET CE :methyl -141:sc= -0.856 (180deg=-4.73!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.5 K(o=0.5,f=-0.053) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 75:sc= 0.186 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= -0.508 (180deg=-0.703) USER MOD Single : A 63 MET CE :methyl -127:sc= -0.539 (180deg=-1.55) USER MOD Single : A 64 ASN : amide:sc= 0.0849 X(o=0.085,f=-0.32) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.181) USER MOD Single : A 72 MET CE :methyl 160:sc= -1.15 (180deg=-2.98!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 52:sc= -0.972 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -39:sc= -0.598 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 155:sc= 1.28 USER MOD Single : A 102 SER OG : rot 180:sc= -0.194 USER MOD Single : A 105 THR OG1 : rot 76:sc= 0.828 USER MOD Single : A 106 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.049) USER MOD Single : A 109 THR OG1 : rot 78:sc= 0.165 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.0584 F(o=-0.63,f=-0.058) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=0.00096) USER MOD Single : A 119 CYS SG : rot 110:sc= -0.155 USER MOD Single : A 120 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.0734 F(o=-0.74,f=-0.073) USER MOD Single : A 129 THR OG1 : rot -39:sc= 0.935 USER MOD Single : A 135 HIS : no HD1:sc= -8.37! C(o=-8.4!,f=-7.9!) USER MOD Single : A 137 SER OG : rot -37:sc= 0.512 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.305 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.409 22.538 5.620 1.00 0.00 N ATOM 67 CA GLU A 8 -2.127 21.287 6.314 1.00 0.00 C ATOM 68 C GLU A 8 -2.360 20.091 5.396 1.00 0.00 C ATOM 69 O GLU A 8 -1.691 19.065 5.515 1.00 0.00 O ATOM 70 CB GLU A 8 -3.002 21.162 7.564 1.00 0.00 C ATOM 71 CG GLU A 8 -4.491 21.128 7.263 1.00 0.00 C ATOM 72 CD GLU A 8 -5.332 21.622 8.424 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.589 20.825 9.351 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.733 22.804 8.406 1.00 0.00 O ATOM 0 HA GLU A 8 -1.079 21.296 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.727 20.254 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.793 22.000 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.695 21.741 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.785 20.108 7.015 1.00 0.00 H new ATOM 81 N GLN A 9 -3.313 20.232 4.480 1.00 0.00 N ATOM 82 CA GLN A 9 -3.636 19.163 3.543 1.00 0.00 C ATOM 83 C GLN A 9 -2.383 18.675 2.822 1.00 0.00 C ATOM 84 O GLN A 9 -2.149 17.472 2.709 1.00 0.00 O ATOM 85 CB GLN A 9 -4.670 19.644 2.523 1.00 0.00 C ATOM 86 CG GLN A 9 -5.569 18.536 1.999 1.00 0.00 C ATOM 87 CD GLN A 9 -6.210 18.885 0.671 1.00 0.00 C ATOM 88 OE1 GLN A 9 -5.542 19.357 -0.250 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.514 18.654 0.564 1.00 0.00 N ATOM 0 H GLN A 9 -3.875 21.076 4.367 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.055 18.332 4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.288 20.416 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.152 20.107 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.986 17.622 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.349 18.329 2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.029 18.262 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.000 18.869 -0.307 1.00 0.00 H new ATOM 98 N ALA A 10 -1.581 19.617 2.336 1.00 0.00 N ATOM 99 CA ALA A 10 -0.352 19.283 1.628 1.00 0.00 C ATOM 100 C ALA A 10 0.579 18.452 2.505 1.00 0.00 C ATOM 101 O ALA A 10 1.132 17.447 2.061 1.00 0.00 O ATOM 102 CB ALA A 10 0.350 20.550 1.162 1.00 0.00 C ATOM 0 H ALA A 10 -1.761 20.618 2.420 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.616 18.685 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.266 20.285 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.307 21.104 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.594 21.169 2.025 1.00 0.00 H new ATOM 108 N GLU A 11 0.747 18.880 3.753 1.00 0.00 N ATOM 109 CA GLU A 11 1.612 18.176 4.691 1.00 0.00 C ATOM 110 C GLU A 11 1.065 16.784 4.996 1.00 0.00 C ATOM 111 O GLU A 11 1.806 15.801 4.999 1.00 0.00 O ATOM 112 CB GLU A 11 1.754 18.975 5.988 1.00 0.00 C ATOM 113 CG GLU A 11 2.297 20.379 5.780 1.00 0.00 C ATOM 114 CD GLU A 11 2.536 21.111 7.087 1.00 0.00 C ATOM 115 OE1 GLU A 11 3.356 20.630 7.895 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.902 22.166 7.300 1.00 0.00 O ATOM 0 H GLU A 11 0.295 19.710 4.137 1.00 0.00 H new ATOM 0 HA GLU A 11 2.594 18.069 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.781 19.039 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.414 18.436 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.232 20.324 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.596 20.949 5.171 1.00 0.00 H new ATOM 123 N ALA A 12 -0.237 16.710 5.253 1.00 0.00 N ATOM 124 CA ALA A 12 -0.884 15.440 5.558 1.00 0.00 C ATOM 125 C ALA A 12 -0.272 14.303 4.747 1.00 0.00 C ATOM 126 O ALA A 12 0.306 13.372 5.306 1.00 0.00 O ATOM 127 CB ALA A 12 -2.380 15.533 5.295 1.00 0.00 C ATOM 0 H ALA A 12 -0.864 17.514 5.256 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.725 15.224 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.850 14.577 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.812 16.312 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.551 15.776 4.246 1.00 0.00 H new ATOM 133 N GLN A 13 -0.404 14.386 3.427 1.00 0.00 N ATOM 134 CA GLN A 13 0.135 13.362 2.540 1.00 0.00 C ATOM 135 C GLN A 13 1.607 13.100 2.842 1.00 0.00 C ATOM 136 O GLN A 13 2.009 11.961 3.082 1.00 0.00 O ATOM 137 CB GLN A 13 -0.031 13.785 1.079 1.00 0.00 C ATOM 138 CG GLN A 13 -1.471 14.071 0.688 1.00 0.00 C ATOM 139 CD GLN A 13 -1.646 14.246 -0.808 1.00 0.00 C ATOM 140 OE1 GLN A 13 -0.848 13.746 -1.601 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.695 14.960 -1.202 1.00 0.00 N ATOM 0 H GLN A 13 -0.879 15.151 2.949 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.421 12.440 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.570 14.676 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.362 12.998 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.106 13.254 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.809 14.973 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.331 15.356 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.864 15.112 -2.196 1.00 0.00 H new ATOM 150 N LEU A 14 2.406 14.161 2.828 1.00 0.00 N ATOM 151 CA LEU A 14 3.835 14.047 3.101 1.00 0.00 C ATOM 152 C LEU A 14 4.083 13.249 4.377 1.00 0.00 C ATOM 153 O LEU A 14 4.729 12.202 4.350 1.00 0.00 O ATOM 154 CB LEU A 14 4.464 15.435 3.223 1.00 0.00 C ATOM 155 CG LEU A 14 5.896 15.479 3.758 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.841 14.755 2.813 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.344 16.918 3.965 1.00 0.00 C ATOM 0 H LEU A 14 2.089 15.110 2.631 1.00 0.00 H new ATOM 0 HA LEU A 14 4.298 13.518 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.450 15.906 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.835 16.041 3.875 1.00 0.00 H new ATOM 0 HG LEU A 14 5.919 14.970 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.855 14.797 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.532 13.714 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.815 15.234 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.365 16.930 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.305 17.451 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.683 17.405 4.682 1.00 0.00 H new ATOM 169 N ALA A 15 3.565 13.752 5.493 1.00 0.00 N ATOM 170 CA ALA A 15 3.727 13.084 6.778 1.00 0.00 C ATOM 171 C ALA A 15 3.722 11.568 6.614 1.00 0.00 C ATOM 172 O ALA A 15 4.670 10.889 7.007 1.00 0.00 O ATOM 173 CB ALA A 15 2.630 13.517 7.740 1.00 0.00 C ATOM 0 H ALA A 15 3.030 14.619 5.533 1.00 0.00 H new ATOM 0 HA ALA A 15 4.693 13.375 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.763 13.010 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.683 14.595 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.657 13.256 7.324 1.00 0.00 H new ATOM 179 N GLU A 16 2.647 11.044 6.033 1.00 0.00 N ATOM 180 CA GLU A 16 2.519 9.607 5.819 1.00 0.00 C ATOM 181 C GLU A 16 3.750 9.051 5.109 1.00 0.00 C ATOM 182 O GLU A 16 4.469 8.212 5.654 1.00 0.00 O ATOM 183 CB GLU A 16 1.263 9.301 5.000 1.00 0.00 C ATOM 184 CG GLU A 16 0.895 7.827 4.980 1.00 0.00 C ATOM 185 CD GLU A 16 0.331 7.348 6.304 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.895 7.470 6.506 1.00 0.00 O ATOM 187 OE2 GLU A 16 1.117 6.851 7.137 1.00 0.00 O ATOM 0 H GLU A 16 1.853 11.592 5.702 1.00 0.00 H new ATOM 0 HA GLU A 16 2.435 9.126 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.427 9.870 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.414 9.643 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.163 7.650 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.779 7.239 4.732 1.00 0.00 H new ATOM 194 N LEU A 17 3.987 9.523 3.890 1.00 0.00 N ATOM 195 CA LEU A 17 5.131 9.074 3.104 1.00 0.00 C ATOM 196 C LEU A 17 6.398 9.045 3.954 1.00 0.00 C ATOM 197 O LEU A 17 7.060 8.012 4.064 1.00 0.00 O ATOM 198 CB LEU A 17 5.335 9.988 1.895 1.00 0.00 C ATOM 199 CG LEU A 17 4.222 9.972 0.846 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.378 11.140 -0.115 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.222 8.652 0.089 1.00 0.00 C ATOM 0 H LEU A 17 3.402 10.217 3.424 1.00 0.00 H new ATOM 0 HA LEU A 17 4.926 8.062 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.454 11.010 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.270 9.710 1.408 1.00 0.00 H new ATOM 0 HG LEU A 17 3.265 10.074 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.577 11.112 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.327 12.077 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.341 11.069 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.424 8.658 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.181 8.519 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.061 7.832 0.788 1.00 0.00 H new ATOM 213 N ASP A 18 6.728 10.183 4.554 1.00 0.00 N ATOM 214 CA ASP A 18 7.913 10.288 5.396 1.00 0.00 C ATOM 215 C ASP A 18 7.936 9.177 6.442 1.00 0.00 C ATOM 216 O ASP A 18 8.978 8.571 6.697 1.00 0.00 O ATOM 217 CB ASP A 18 7.958 11.653 6.084 1.00 0.00 C ATOM 218 CG ASP A 18 9.164 11.806 6.990 1.00 0.00 C ATOM 219 OD1 ASP A 18 9.631 10.784 7.532 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.639 12.949 7.157 1.00 0.00 O ATOM 0 H ASP A 18 6.191 11.046 4.473 1.00 0.00 H new ATOM 0 HA ASP A 18 8.791 10.182 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.974 12.437 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.048 11.792 6.668 1.00 0.00 H new ATOM 225 N LEU A 19 6.782 8.915 7.045 1.00 0.00 N ATOM 226 CA LEU A 19 6.669 7.878 8.065 1.00 0.00 C ATOM 227 C LEU A 19 6.896 6.495 7.462 1.00 0.00 C ATOM 228 O LEU A 19 7.806 5.771 7.868 1.00 0.00 O ATOM 229 CB LEU A 19 5.293 7.937 8.730 1.00 0.00 C ATOM 230 CG LEU A 19 4.841 6.666 9.450 1.00 0.00 C ATOM 231 CD1 LEU A 19 5.532 6.542 10.799 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.329 6.659 9.620 1.00 0.00 C ATOM 0 H LEU A 19 5.911 9.406 6.845 1.00 0.00 H new ATOM 0 HA LEU A 19 7.437 8.057 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.294 8.757 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.553 8.181 7.968 1.00 0.00 H new ATOM 0 HG LEU A 19 5.122 5.807 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.198 5.632 11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.611 6.500 10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.283 7.405 11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.025 5.747 10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.025 7.525 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.853 6.699 8.640 1.00 0.00 H new ATOM 244 N LEU A 20 6.066 6.136 6.489 1.00 0.00 N ATOM 245 CA LEU A 20 6.177 4.841 5.827 1.00 0.00 C ATOM 246 C LEU A 20 7.639 4.430 5.676 1.00 0.00 C ATOM 247 O LEU A 20 8.038 3.350 6.111 1.00 0.00 O ATOM 248 CB LEU A 20 5.505 4.888 4.454 1.00 0.00 C ATOM 249 CG LEU A 20 4.001 4.611 4.434 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.415 4.944 3.071 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.720 3.161 4.798 1.00 0.00 C ATOM 0 H LEU A 20 5.308 6.724 6.141 1.00 0.00 H new ATOM 0 HA LEU A 20 5.672 4.100 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.679 5.873 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.997 4.163 3.806 1.00 0.00 H new ATOM 0 HG LEU A 20 3.524 5.250 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.344 4.741 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.583 5.998 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.897 4.332 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.645 2.983 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.210 2.504 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.104 2.956 5.797 1.00 0.00 H new ATOM 263 N ALA A 21 8.432 5.300 5.060 1.00 0.00 N ATOM 264 CA ALA A 21 9.850 5.030 4.856 1.00 0.00 C ATOM 265 C ALA A 21 10.505 4.534 6.141 1.00 0.00 C ATOM 266 O ALA A 21 11.221 3.533 6.137 1.00 0.00 O ATOM 267 CB ALA A 21 10.557 6.278 4.349 1.00 0.00 C ATOM 0 H ALA A 21 8.117 6.198 4.693 1.00 0.00 H new ATOM 0 HA ALA A 21 9.941 4.244 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.615 6.062 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.114 6.588 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.449 7.080 5.080 1.00 0.00 H new ATOM 273 N SER A 22 10.254 5.240 7.238 1.00 0.00 N ATOM 274 CA SER A 22 10.824 4.874 8.530 1.00 0.00 C ATOM 275 C SER A 22 10.196 3.586 9.054 1.00 0.00 C ATOM 276 O SER A 22 10.878 2.742 9.635 1.00 0.00 O ATOM 277 CB SER A 22 10.617 6.004 9.541 1.00 0.00 C ATOM 278 OG SER A 22 9.392 5.848 10.236 1.00 0.00 O ATOM 0 H SER A 22 9.660 6.069 7.259 1.00 0.00 H new ATOM 0 HA SER A 22 11.893 4.709 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.443 6.016 10.252 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.626 6.964 9.025 1.00 0.00 H new ATOM 0 HG SER A 22 8.649 5.860 9.597 1.00 0.00 H new ATOM 284 N MET A 23 8.892 3.443 8.845 1.00 0.00 N ATOM 285 CA MET A 23 8.171 2.257 9.295 1.00 0.00 C ATOM 286 C MET A 23 8.788 0.991 8.709 1.00 0.00 C ATOM 287 O MET A 23 8.935 -0.017 9.400 1.00 0.00 O ATOM 288 CB MET A 23 6.696 2.350 8.900 1.00 0.00 C ATOM 289 CG MET A 23 5.969 3.523 9.538 1.00 0.00 C ATOM 290 SD MET A 23 5.521 3.211 11.257 1.00 0.00 S ATOM 291 CE MET A 23 4.610 1.677 11.096 1.00 0.00 C ATOM 0 H MET A 23 8.312 4.133 8.367 1.00 0.00 H new ATOM 0 HA MET A 23 8.246 2.207 10.381 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.623 2.434 7.816 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.194 1.425 9.182 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.602 4.409 9.487 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.068 3.742 8.966 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.753 1.690 11.770 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.262 1.567 10.069 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.259 0.840 11.351 1.00 0.00 H new ATOM 301 N PHE A 24 9.147 1.050 7.431 1.00 0.00 N ATOM 302 CA PHE A 24 9.746 -0.093 6.752 1.00 0.00 C ATOM 303 C PHE A 24 11.235 0.138 6.511 1.00 0.00 C ATOM 304 O PHE A 24 11.675 0.401 5.391 1.00 0.00 O ATOM 305 CB PHE A 24 9.037 -0.352 5.421 1.00 0.00 C ATOM 306 CG PHE A 24 7.575 -0.664 5.572 1.00 0.00 C ATOM 307 CD1 PHE A 24 7.148 -1.967 5.766 1.00 0.00 C ATOM 308 CD2 PHE A 24 6.629 0.346 5.518 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.804 -2.258 5.905 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.283 0.062 5.657 1.00 0.00 C ATOM 311 CZ PHE A 24 4.871 -1.242 5.850 1.00 0.00 C ATOM 0 H PHE A 24 9.034 1.877 6.845 1.00 0.00 H new ATOM 0 HA PHE A 24 9.630 -0.967 7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.149 0.524 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.527 -1.182 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.874 -2.765 5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.946 1.367 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.484 -3.278 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.555 0.859 5.615 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.820 -1.467 5.958 1.00 0.00 H new ATOM 357 N ASN A 28 14.574 -3.525 0.480 1.00 0.00 N ATOM 358 CA ASN A 28 13.674 -4.036 -0.548 1.00 0.00 C ATOM 359 C ASN A 28 12.256 -4.183 -0.006 1.00 0.00 C ATOM 360 O ASN A 28 11.621 -5.224 -0.176 1.00 0.00 O ATOM 361 CB ASN A 28 14.176 -5.384 -1.070 1.00 0.00 C ATOM 362 CG ASN A 28 15.688 -5.440 -1.167 1.00 0.00 C ATOM 363 OD1 ASN A 28 16.335 -6.245 -0.497 1.00 0.00 O ATOM 364 ND2 ASN A 28 16.259 -4.583 -2.005 1.00 0.00 N ATOM 0 HA ASN A 28 13.657 -3.320 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.827 -6.179 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.744 -5.573 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.273 -4.574 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.683 -3.933 -2.541 1.00 0.00 H new ATOM 371 N GLU A 29 11.765 -3.134 0.646 1.00 0.00 N ATOM 372 CA GLU A 29 10.422 -3.147 1.213 1.00 0.00 C ATOM 373 C GLU A 29 9.545 -2.084 0.559 1.00 0.00 C ATOM 374 O GLU A 29 8.360 -2.308 0.307 1.00 0.00 O ATOM 375 CB GLU A 29 10.480 -2.917 2.725 1.00 0.00 C ATOM 376 CG GLU A 29 11.292 -1.696 3.124 1.00 0.00 C ATOM 377 CD GLU A 29 10.518 -0.402 2.961 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.277 -0.465 2.836 1.00 0.00 O ATOM 379 OE2 GLU A 29 11.153 0.673 2.958 1.00 0.00 O ATOM 0 H GLU A 29 12.277 -2.265 0.795 1.00 0.00 H new ATOM 0 HA GLU A 29 9.983 -4.125 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.465 -2.808 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.907 -3.799 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.608 -1.798 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.197 -1.652 2.518 1.00 0.00 H new ATOM 386 N LEU A 30 10.134 -0.925 0.286 1.00 0.00 N ATOM 387 CA LEU A 30 9.408 0.175 -0.339 1.00 0.00 C ATOM 388 C LEU A 30 10.306 0.944 -1.301 1.00 0.00 C ATOM 389 O LEU A 30 11.417 1.340 -0.947 1.00 0.00 O ATOM 390 CB LEU A 30 8.858 1.121 0.730 1.00 0.00 C ATOM 391 CG LEU A 30 8.470 2.521 0.252 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.282 3.045 1.044 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.653 3.471 0.370 1.00 0.00 C ATOM 0 H LEU A 30 11.113 -0.723 0.488 1.00 0.00 H new ATOM 0 HA LEU A 30 8.577 -0.246 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.981 0.657 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.605 1.222 1.517 1.00 0.00 H new ATOM 0 HG LEU A 30 8.182 2.459 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.020 4.042 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.431 2.377 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.542 3.092 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.359 4.463 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.971 3.528 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.477 3.104 -0.242 1.00 0.00 H new ATOM 405 N ILE A 31 9.818 1.155 -2.519 1.00 0.00 N ATOM 406 CA ILE A 31 10.575 1.880 -3.531 1.00 0.00 C ATOM 407 C ILE A 31 9.723 2.962 -4.185 1.00 0.00 C ATOM 408 O ILE A 31 8.715 2.669 -4.828 1.00 0.00 O ATOM 409 CB ILE A 31 11.108 0.932 -4.622 1.00 0.00 C ATOM 410 CG1 ILE A 31 12.077 -0.085 -4.016 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.788 1.726 -5.727 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.403 -1.352 -3.538 1.00 0.00 C ATOM 0 H ILE A 31 8.901 0.834 -2.829 1.00 0.00 H new ATOM 0 HA ILE A 31 11.419 2.345 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 31 10.267 0.391 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.832 -0.343 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.599 0.377 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.159 1.042 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.071 2.415 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.621 2.291 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.151 -2.027 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.668 -1.106 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.904 -1.838 -4.377 1.00 0.00 H new ATOM 424 N VAL A 32 10.137 4.214 -4.019 1.00 0.00 N ATOM 425 CA VAL A 32 9.414 5.341 -4.596 1.00 0.00 C ATOM 426 C VAL A 32 9.996 5.733 -5.950 1.00 0.00 C ATOM 427 O VAL A 32 10.953 6.502 -6.026 1.00 0.00 O ATOM 428 CB VAL A 32 9.446 6.566 -3.662 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.935 7.802 -4.386 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.631 6.298 -2.406 1.00 0.00 C ATOM 0 H VAL A 32 10.969 4.473 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 32 8.381 5.020 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 32 10.479 6.749 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.965 8.657 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.564 8.002 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.909 7.634 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.664 7.173 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.597 6.089 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.047 5.439 -1.879 1.00 0.00 H new ATOM 440 N ASN A 33 9.411 5.198 -7.016 1.00 0.00 N ATOM 441 CA ASN A 33 9.871 5.491 -8.369 1.00 0.00 C ATOM 442 C ASN A 33 9.660 6.964 -8.708 1.00 0.00 C ATOM 443 O ASN A 33 10.583 7.648 -9.150 1.00 0.00 O ATOM 444 CB ASN A 33 9.136 4.612 -9.382 1.00 0.00 C ATOM 445 CG ASN A 33 9.542 3.155 -9.286 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.726 2.823 -9.353 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.559 2.276 -9.129 1.00 0.00 N ATOM 0 H ASN A 33 8.617 4.559 -6.970 1.00 0.00 H new ATOM 0 HA ASN A 33 10.938 5.274 -8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.061 4.698 -9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.338 4.977 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.771 1.281 -9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.592 2.596 -9.079 1.00 0.00 H new ATOM 454 N ASP A 34 8.440 7.445 -8.496 1.00 0.00 N ATOM 455 CA ASP A 34 8.108 8.836 -8.777 1.00 0.00 C ATOM 456 C ASP A 34 8.678 9.759 -7.705 1.00 0.00 C ATOM 457 O ASP A 34 7.933 10.410 -6.973 1.00 0.00 O ATOM 458 CB ASP A 34 6.591 9.013 -8.865 1.00 0.00 C ATOM 459 CG ASP A 34 6.196 10.261 -9.631 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.981 11.233 -9.626 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.104 10.265 -10.235 1.00 0.00 O ATOM 0 H ASP A 34 7.665 6.892 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 34 8.554 9.103 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.154 8.140 -9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.175 9.061 -7.859 1.00 0.00 H new ATOM 466 N GLN A 35 10.003 9.807 -7.617 1.00 0.00 N ATOM 467 CA GLN A 35 10.673 10.649 -6.632 1.00 0.00 C ATOM 468 C GLN A 35 10.448 12.126 -6.936 1.00 0.00 C ATOM 469 O GLN A 35 10.470 12.966 -6.035 1.00 0.00 O ATOM 470 CB GLN A 35 12.172 10.344 -6.605 1.00 0.00 C ATOM 471 CG GLN A 35 12.494 8.912 -6.209 1.00 0.00 C ATOM 472 CD GLN A 35 13.827 8.789 -5.498 1.00 0.00 C ATOM 473 OE1 GLN A 35 14.809 9.426 -5.880 1.00 0.00 O ATOM 474 NE2 GLN A 35 13.869 7.966 -4.457 1.00 0.00 N ATOM 0 H GLN A 35 10.634 9.273 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 35 10.247 10.429 -5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.593 10.543 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.660 11.024 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.704 8.532 -5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.503 8.286 -7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.031 7.458 -4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.739 7.842 -3.940 1.00 0.00 H new ATOM 483 N LEU A 36 10.233 12.437 -8.209 1.00 0.00 N ATOM 484 CA LEU A 36 10.005 13.815 -8.633 1.00 0.00 C ATOM 485 C LEU A 36 8.718 14.365 -8.025 1.00 0.00 C ATOM 486 O LEU A 36 8.641 15.540 -7.670 1.00 0.00 O ATOM 487 CB LEU A 36 9.937 13.896 -10.159 1.00 0.00 C ATOM 488 CG LEU A 36 9.488 15.236 -10.740 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.596 16.271 -10.615 1.00 0.00 C ATOM 490 CD2 LEU A 36 9.071 15.074 -12.195 1.00 0.00 C ATOM 0 H LEU A 36 10.212 11.754 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 36 10.840 14.421 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.923 13.661 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.256 13.122 -10.514 1.00 0.00 H new ATOM 0 HG LEU A 36 8.626 15.585 -10.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.258 17.219 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.848 16.409 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.477 15.928 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.754 16.038 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.915 14.702 -12.776 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.245 14.366 -12.260 1.00 0.00 H new ATOM 502 N ALA A 37 7.711 13.505 -7.908 1.00 0.00 N ATOM 503 CA ALA A 37 6.429 13.904 -7.340 1.00 0.00 C ATOM 504 C ALA A 37 6.592 14.383 -5.901 1.00 0.00 C ATOM 505 O ALA A 37 6.118 15.460 -5.538 1.00 0.00 O ATOM 506 CB ALA A 37 5.441 12.749 -7.404 1.00 0.00 C ATOM 0 H ALA A 37 7.758 12.528 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 37 6.040 14.734 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.488 13.061 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.293 12.454 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.833 11.903 -6.839 1.00 0.00 H new ATOM 512 N VAL A 38 7.264 13.577 -5.086 1.00 0.00 N ATOM 513 CA VAL A 38 7.490 13.920 -3.687 1.00 0.00 C ATOM 514 C VAL A 38 8.265 15.226 -3.559 1.00 0.00 C ATOM 515 O VAL A 38 7.986 16.041 -2.680 1.00 0.00 O ATOM 516 CB VAL A 38 8.259 12.805 -2.953 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.547 13.212 -1.516 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.479 11.500 -3.000 1.00 0.00 C ATOM 0 H VAL A 38 7.662 12.682 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 38 6.509 14.037 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 38 9.212 12.651 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.091 12.412 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.149 14.120 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.608 13.396 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.037 10.724 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.511 11.637 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.330 11.203 -4.038 1.00 0.00 H new ATOM 528 N ALA A 39 9.239 15.419 -4.442 1.00 0.00 N ATOM 529 CA ALA A 39 10.053 16.628 -4.430 1.00 0.00 C ATOM 530 C ALA A 39 9.185 17.876 -4.553 1.00 0.00 C ATOM 531 O ALA A 39 9.422 18.876 -3.878 1.00 0.00 O ATOM 532 CB ALA A 39 11.080 16.584 -5.551 1.00 0.00 C ATOM 0 H ALA A 39 9.484 14.753 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 39 10.576 16.674 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.681 17.493 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.728 15.718 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.568 16.509 -6.511 1.00 0.00 H new ATOM 538 N GLU A 40 8.180 17.808 -5.421 1.00 0.00 N ATOM 539 CA GLU A 40 7.278 18.934 -5.633 1.00 0.00 C ATOM 540 C GLU A 40 6.471 19.231 -4.372 1.00 0.00 C ATOM 541 O GLU A 40 6.316 20.387 -3.977 1.00 0.00 O ATOM 542 CB GLU A 40 6.332 18.646 -6.800 1.00 0.00 C ATOM 543 CG GLU A 40 6.924 18.978 -8.160 1.00 0.00 C ATOM 544 CD GLU A 40 5.902 18.897 -9.277 1.00 0.00 C ATOM 545 OE1 GLU A 40 5.652 17.778 -9.771 1.00 0.00 O ATOM 546 OE2 GLU A 40 5.353 19.952 -9.657 1.00 0.00 O ATOM 0 H GLU A 40 7.970 16.986 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 40 7.882 19.809 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.056 17.592 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.415 19.219 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.348 19.982 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.744 18.292 -8.372 1.00 0.00 H new ATOM 553 N LEU A 41 5.959 18.178 -3.744 1.00 0.00 N ATOM 554 CA LEU A 41 5.167 18.324 -2.527 1.00 0.00 C ATOM 555 C LEU A 41 5.983 18.990 -1.423 1.00 0.00 C ATOM 556 O LEU A 41 5.607 20.044 -0.909 1.00 0.00 O ATOM 557 CB LEU A 41 4.667 16.958 -2.054 1.00 0.00 C ATOM 558 CG LEU A 41 3.868 16.950 -0.750 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.490 17.556 -0.965 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.752 15.535 -0.204 1.00 0.00 C ATOM 0 H LEU A 41 6.078 17.214 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 41 4.311 18.959 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.046 16.529 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.528 16.300 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 41 4.399 17.558 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.936 17.542 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.595 18.585 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.950 16.976 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.180 15.549 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.244 14.904 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.748 15.137 -0.011 1.00 0.00 H new ATOM 572 N LYS A 42 7.102 18.369 -1.065 1.00 0.00 N ATOM 573 CA LYS A 42 7.973 18.903 -0.025 1.00 0.00 C ATOM 574 C LYS A 42 8.262 20.382 -0.262 1.00 0.00 C ATOM 575 O LYS A 42 8.289 21.177 0.677 1.00 0.00 O ATOM 576 CB LYS A 42 9.286 18.117 0.021 1.00 0.00 C ATOM 577 CG LYS A 42 9.173 16.787 0.746 1.00 0.00 C ATOM 578 CD LYS A 42 10.212 15.794 0.252 1.00 0.00 C ATOM 579 CE LYS A 42 10.417 14.661 1.247 1.00 0.00 C ATOM 580 NZ LYS A 42 11.598 13.824 0.899 1.00 0.00 N ATOM 0 H LYS A 42 7.427 17.496 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 42 7.460 18.801 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.628 17.938 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.047 18.725 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.298 16.944 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.175 16.375 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.898 15.384 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.158 16.309 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.547 15.075 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.524 14.036 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.703 13.064 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.463 13.408 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.454 14.415 0.898 1.00 0.00 H new ATOM 594 N ASP A 43 8.475 20.743 -1.523 1.00 0.00 N ATOM 595 CA ASP A 43 8.759 22.127 -1.884 1.00 0.00 C ATOM 596 C ASP A 43 7.524 23.003 -1.691 1.00 0.00 C ATOM 597 O ASP A 43 7.573 24.016 -0.992 1.00 0.00 O ATOM 598 CB ASP A 43 9.238 22.211 -3.334 1.00 0.00 C ATOM 599 CG ASP A 43 10.103 23.429 -3.588 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.722 23.928 -2.626 1.00 0.00 O ATOM 601 OD2 ASP A 43 10.160 23.885 -4.750 1.00 0.00 O ATOM 0 H ASP A 43 8.456 20.097 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 43 9.549 22.493 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.802 21.311 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.374 22.238 -3.998 1.00 0.00 H new ATOM 606 N CYS A 44 6.421 22.607 -2.316 1.00 0.00 N ATOM 607 CA CYS A 44 5.174 23.357 -2.215 1.00 0.00 C ATOM 608 C CYS A 44 4.991 23.921 -0.809 1.00 0.00 C ATOM 609 O CYS A 44 4.836 25.129 -0.630 1.00 0.00 O ATOM 610 CB CYS A 44 3.987 22.464 -2.578 1.00 0.00 C ATOM 611 SG CYS A 44 3.735 22.257 -4.356 1.00 0.00 S ATOM 0 H CYS A 44 6.365 21.771 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 44 5.221 24.189 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.133 21.483 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.082 22.885 -2.140 1.00 0.00 H new ATOM 0 HG CYS A 44 4.634 21.446 -4.830 1.00 0.00 H new ATOM 617 N ILE A 45 5.008 23.038 0.183 1.00 0.00 N ATOM 618 CA ILE A 45 4.843 23.448 1.572 1.00 0.00 C ATOM 619 C ILE A 45 5.806 24.574 1.931 1.00 0.00 C ATOM 620 O ILE A 45 5.414 25.566 2.545 1.00 0.00 O ATOM 621 CB ILE A 45 5.068 22.269 2.538 1.00 0.00 C ATOM 622 CG1 ILE A 45 4.084 21.137 2.233 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.922 22.730 3.980 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.584 19.773 2.652 1.00 0.00 C ATOM 0 H ILE A 45 5.134 22.034 0.051 1.00 0.00 H new ATOM 0 HA ILE A 45 3.818 23.802 1.676 1.00 0.00 H new ATOM 0 HB ILE A 45 6.081 21.893 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.140 21.340 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.876 21.126 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.084 21.886 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.658 23.506 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.920 23.129 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.836 19.020 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.512 19.548 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.765 19.766 3.727 1.00 0.00 H new ATOM 636 N GLU A 46 7.067 24.414 1.542 1.00 0.00 N ATOM 637 CA GLU A 46 8.086 25.419 1.822 1.00 0.00 C ATOM 638 C GLU A 46 7.750 26.740 1.135 1.00 0.00 C ATOM 639 O GLU A 46 7.785 27.803 1.755 1.00 0.00 O ATOM 640 CB GLU A 46 9.459 24.927 1.362 1.00 0.00 C ATOM 641 CG GLU A 46 10.183 24.085 2.400 1.00 0.00 C ATOM 642 CD GLU A 46 11.529 23.587 1.911 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.560 22.869 0.890 1.00 0.00 O ATOM 644 OE2 GLU A 46 12.551 23.914 2.550 1.00 0.00 O ATOM 0 H GLU A 46 7.407 23.599 1.032 1.00 0.00 H new ATOM 0 HA GLU A 46 8.110 25.585 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.339 24.341 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.078 25.788 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.325 24.675 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.560 23.232 2.669 1.00 0.00 H new ATOM 783 N SER A 55 2.024 15.616 -10.851 1.00 0.00 N ATOM 784 CA SER A 55 2.528 14.248 -10.825 1.00 0.00 C ATOM 785 C SER A 55 2.149 13.555 -9.520 1.00 0.00 C ATOM 786 O SER A 55 2.493 14.020 -8.433 1.00 0.00 O ATOM 787 CB SER A 55 4.048 14.238 -10.999 1.00 0.00 C ATOM 788 OG SER A 55 4.412 14.576 -12.326 1.00 0.00 O ATOM 0 HA SER A 55 2.072 13.703 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.501 14.944 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.439 13.251 -10.752 1.00 0.00 H new ATOM 0 HG SER A 55 5.388 14.564 -12.411 1.00 0.00 H new ATOM 794 N LYS A 56 1.439 12.438 -9.635 1.00 0.00 N ATOM 795 CA LYS A 56 1.013 11.677 -8.466 1.00 0.00 C ATOM 796 C LYS A 56 2.194 10.952 -7.829 1.00 0.00 C ATOM 797 O LYS A 56 3.176 10.635 -8.501 1.00 0.00 O ATOM 798 CB LYS A 56 -0.069 10.668 -8.855 1.00 0.00 C ATOM 799 CG LYS A 56 -1.481 11.218 -8.747 1.00 0.00 C ATOM 800 CD LYS A 56 -2.465 10.392 -9.559 1.00 0.00 C ATOM 801 CE LYS A 56 -3.859 10.431 -8.952 1.00 0.00 C ATOM 802 NZ LYS A 56 -4.014 9.436 -7.855 1.00 0.00 N ATOM 0 H LYS A 56 1.146 12.039 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 56 0.603 12.377 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.106 10.337 -9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.019 9.789 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.789 11.229 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.498 12.251 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.501 10.769 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.119 9.360 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.059 11.431 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.599 10.234 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.004 9.422 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.749 8.492 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.398 9.698 -7.059 1.00 0.00 H new ATOM 816 N VAL A 57 2.091 10.690 -6.530 1.00 0.00 N ATOM 817 CA VAL A 57 3.150 10.000 -5.803 1.00 0.00 C ATOM 818 C VAL A 57 3.032 8.488 -5.966 1.00 0.00 C ATOM 819 O VAL A 57 2.261 7.836 -5.261 1.00 0.00 O ATOM 820 CB VAL A 57 3.120 10.348 -4.303 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.229 9.616 -3.563 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.236 11.851 -4.103 1.00 0.00 C ATOM 0 H VAL A 57 1.285 10.945 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 57 4.096 10.336 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 57 2.165 10.022 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.192 9.874 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.095 8.540 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.195 9.908 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.213 12.079 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.175 12.203 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.403 12.349 -4.599 1.00 0.00 H new ATOM 832 N TYR A 58 3.802 7.938 -6.898 1.00 0.00 N ATOM 833 CA TYR A 58 3.783 6.503 -7.154 1.00 0.00 C ATOM 834 C TYR A 58 4.914 5.801 -6.408 1.00 0.00 C ATOM 835 O TYR A 58 6.082 6.168 -6.538 1.00 0.00 O ATOM 836 CB TYR A 58 3.902 6.230 -8.655 1.00 0.00 C ATOM 837 CG TYR A 58 4.161 4.778 -8.988 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.321 3.776 -8.519 1.00 0.00 C ATOM 839 CD2 TYR A 58 5.247 4.409 -9.773 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.555 2.449 -8.820 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.488 3.084 -10.080 1.00 0.00 C ATOM 842 CZ TYR A 58 4.639 2.107 -9.602 1.00 0.00 C ATOM 843 OH TYR A 58 4.875 0.786 -9.905 1.00 0.00 O ATOM 0 H TYR A 58 4.447 8.464 -7.488 1.00 0.00 H new ATOM 0 HA TYR A 58 2.833 6.108 -6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.983 6.549 -9.148 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.710 6.837 -9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.470 4.040 -7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.914 5.171 -10.149 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.893 1.683 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.337 2.814 -10.691 1.00 0.00 H new ATOM 0 HH TYR A 58 5.141 0.307 -9.093 1.00 0.00 H new ATOM 853 N PHE A 59 4.558 4.787 -5.626 1.00 0.00 N ATOM 854 CA PHE A 59 5.541 4.032 -4.857 1.00 0.00 C ATOM 855 C PHE A 59 5.049 2.613 -4.590 1.00 0.00 C ATOM 856 O PHE A 59 3.915 2.407 -4.157 1.00 0.00 O ATOM 857 CB PHE A 59 5.836 4.739 -3.533 1.00 0.00 C ATOM 858 CG PHE A 59 4.620 4.932 -2.672 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.661 5.875 -3.006 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.436 4.171 -1.530 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.542 6.055 -2.215 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.319 4.346 -0.735 1.00 0.00 C ATOM 863 CZ PHE A 59 2.370 5.289 -1.079 1.00 0.00 C ATOM 0 H PHE A 59 3.596 4.469 -5.508 1.00 0.00 H new ATOM 0 HA PHE A 59 6.458 3.975 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.576 4.161 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.282 5.712 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.789 6.476 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.174 3.432 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.803 6.794 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.188 3.746 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.495 5.427 -0.461 1.00 0.00 H new ATOM 873 N THR A 60 5.911 1.635 -4.853 1.00 0.00 N ATOM 874 CA THR A 60 5.565 0.235 -4.643 1.00 0.00 C ATOM 875 C THR A 60 6.121 -0.277 -3.319 1.00 0.00 C ATOM 876 O THR A 60 7.159 0.190 -2.849 1.00 0.00 O ATOM 877 CB THR A 60 6.095 -0.652 -5.786 1.00 0.00 C ATOM 878 OG1 THR A 60 5.688 -0.116 -7.050 1.00 0.00 O ATOM 879 CG2 THR A 60 5.584 -2.078 -5.646 1.00 0.00 C ATOM 0 H THR A 60 6.854 1.787 -5.212 1.00 0.00 H new ATOM 0 HA THR A 60 4.477 0.178 -4.623 1.00 0.00 H new ATOM 0 HB THR A 60 7.184 -0.666 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.649 -0.836 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.971 -2.685 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.919 -2.493 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.494 -2.079 -5.678 1.00 0.00 H new ATOM 887 N ILE A 61 5.424 -1.238 -2.722 1.00 0.00 N ATOM 888 CA ILE A 61 5.850 -1.814 -1.453 1.00 0.00 C ATOM 889 C ILE A 61 5.935 -3.334 -1.539 1.00 0.00 C ATOM 890 O ILE A 61 4.936 -4.008 -1.788 1.00 0.00 O ATOM 891 CB ILE A 61 4.892 -1.428 -0.310 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.965 0.077 -0.041 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.226 -2.214 0.949 1.00 0.00 C ATOM 894 CD1 ILE A 61 4.086 0.528 1.105 1.00 0.00 C ATOM 0 H ILE A 61 4.562 -1.634 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 61 6.839 -1.409 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 61 3.874 -1.675 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.998 0.350 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.675 0.614 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.541 -1.930 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.128 -3.281 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.249 -1.995 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.187 1.605 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.047 0.286 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.390 0.018 2.019 1.00 0.00 H new ATOM 906 N ASN A 62 7.134 -3.867 -1.329 1.00 0.00 N ATOM 907 CA ASN A 62 7.349 -5.309 -1.382 1.00 0.00 C ATOM 908 C ASN A 62 7.155 -5.938 -0.006 1.00 0.00 C ATOM 909 O ASN A 62 7.960 -5.731 0.901 1.00 0.00 O ATOM 910 CB ASN A 62 8.754 -5.617 -1.903 1.00 0.00 C ATOM 911 CG ASN A 62 8.957 -5.148 -3.331 1.00 0.00 C ATOM 912 OD1 ASN A 62 8.474 -5.772 -4.276 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.676 -4.043 -3.494 1.00 0.00 N ATOM 0 H ASN A 62 7.971 -3.323 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 62 6.614 -5.737 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.491 -5.138 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.932 -6.691 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.847 -3.679 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.057 -3.558 -2.682 1.00 0.00 H new ATOM 920 N MET A 63 6.081 -6.708 0.140 1.00 0.00 N ATOM 921 CA MET A 63 5.782 -7.370 1.405 1.00 0.00 C ATOM 922 C MET A 63 5.966 -8.879 1.286 1.00 0.00 C ATOM 923 O MET A 63 5.304 -9.532 0.480 1.00 0.00 O ATOM 924 CB MET A 63 4.353 -7.051 1.847 1.00 0.00 C ATOM 925 CG MET A 63 4.189 -5.649 2.411 1.00 0.00 C ATOM 926 SD MET A 63 2.471 -5.101 2.423 1.00 0.00 S ATOM 927 CE MET A 63 1.751 -6.271 3.571 1.00 0.00 C ATOM 0 H MET A 63 5.404 -6.889 -0.601 1.00 0.00 H new ATOM 0 HA MET A 63 6.478 -6.996 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.683 -7.172 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.045 -7.775 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.582 -5.622 3.427 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.784 -4.952 1.821 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.886 -6.748 3.110 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.490 -7.030 3.828 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.438 -5.748 4.475 1.00 0.00 H new ATOM 937 N ASN A 64 6.868 -9.427 2.093 1.00 0.00 N ATOM 938 CA ASN A 64 7.138 -10.860 2.077 1.00 0.00 C ATOM 939 C ASN A 64 6.208 -11.600 3.033 1.00 0.00 C ATOM 940 O ASN A 64 6.185 -11.323 4.233 1.00 0.00 O ATOM 941 CB ASN A 64 8.596 -11.129 2.455 1.00 0.00 C ATOM 942 CG ASN A 64 9.551 -10.859 1.308 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.580 -9.758 0.757 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.337 -11.865 0.943 1.00 0.00 N ATOM 0 H ASN A 64 7.425 -8.901 2.766 1.00 0.00 H new ATOM 0 HA ASN A 64 6.958 -11.227 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.869 -10.505 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.700 -12.166 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.999 -11.743 0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.278 -12.760 1.429 1.00 0.00 H new ATOM 951 N LEU A 65 5.443 -12.543 2.494 1.00 0.00 N ATOM 952 CA LEU A 65 4.511 -13.325 3.299 1.00 0.00 C ATOM 953 C LEU A 65 4.352 -14.733 2.735 1.00 0.00 C ATOM 954 O LEU A 65 4.445 -14.942 1.525 1.00 0.00 O ATOM 955 CB LEU A 65 3.149 -12.630 3.357 1.00 0.00 C ATOM 956 CG LEU A 65 3.171 -11.103 3.273 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.901 -10.587 2.615 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.342 -10.495 4.658 1.00 0.00 C ATOM 0 H LEU A 65 5.450 -12.785 1.503 1.00 0.00 H new ATOM 0 HA LEU A 65 4.917 -13.401 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.534 -13.010 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.657 -12.916 4.287 1.00 0.00 H new ATOM 0 HG LEU A 65 4.021 -10.804 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.934 -9.499 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.821 -10.995 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.036 -10.896 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.355 -9.408 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.513 -10.802 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.280 -10.839 5.093 1.00 0.00 H new ATOM 970 N ASP A 66 4.110 -15.695 3.618 1.00 0.00 N ATOM 971 CA ASP A 66 3.935 -17.083 3.208 1.00 0.00 C ATOM 972 C ASP A 66 2.580 -17.284 2.536 1.00 0.00 C ATOM 973 O ASP A 66 1.598 -16.629 2.885 1.00 0.00 O ATOM 974 CB ASP A 66 4.061 -18.014 4.415 1.00 0.00 C ATOM 975 CG ASP A 66 2.973 -17.779 5.444 1.00 0.00 C ATOM 976 OD1 ASP A 66 3.099 -16.819 6.234 1.00 0.00 O ATOM 977 OD2 ASP A 66 1.995 -18.555 5.460 1.00 0.00 O ATOM 0 H ASP A 66 4.031 -15.539 4.623 1.00 0.00 H new ATOM 0 HA ASP A 66 4.718 -17.325 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.020 -19.050 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.035 -17.869 4.881 1.00 0.00 H new ATOM 982 N VAL A 67 2.535 -18.194 1.567 1.00 0.00 N ATOM 983 CA VAL A 67 1.302 -18.481 0.845 1.00 0.00 C ATOM 984 C VAL A 67 0.933 -19.957 0.952 1.00 0.00 C ATOM 985 O VAL A 67 -0.209 -20.302 1.257 1.00 0.00 O ATOM 986 CB VAL A 67 1.420 -18.100 -0.642 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.538 -16.592 -0.799 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.608 -18.805 -1.280 1.00 0.00 C ATOM 0 H VAL A 67 3.339 -18.745 1.265 1.00 0.00 H new ATOM 0 HA VAL A 67 0.519 -17.879 1.306 1.00 0.00 H new ATOM 0 HB VAL A 67 0.515 -18.425 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.620 -16.342 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.653 -16.112 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.425 -16.240 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.676 -18.524 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.524 -18.512 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.476 -19.884 -1.201 1.00 0.00 H new ATOM 998 N SER A 68 1.908 -20.824 0.701 1.00 0.00 N ATOM 999 CA SER A 68 1.686 -22.264 0.766 1.00 0.00 C ATOM 1000 C SER A 68 2.991 -23.025 0.551 1.00 0.00 C ATOM 1001 O SER A 68 4.011 -22.441 0.186 1.00 0.00 O ATOM 1002 CB SER A 68 0.655 -22.690 -0.281 1.00 0.00 C ATOM 1003 OG SER A 68 0.101 -23.956 0.034 1.00 0.00 O ATOM 0 H SER A 68 2.859 -20.555 0.451 1.00 0.00 H new ATOM 0 HA SER A 68 1.305 -22.504 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.139 -21.946 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.125 -22.730 -1.264 1.00 0.00 H new ATOM 0 HG SER A 68 -0.556 -24.205 -0.649 1.00 0.00 H new ATOM 1009 N ASP A 69 2.950 -24.333 0.781 1.00 0.00 N ATOM 1010 CA ASP A 69 4.127 -25.176 0.612 1.00 0.00 C ATOM 1011 C ASP A 69 5.324 -24.594 1.358 1.00 0.00 C ATOM 1012 O ASP A 69 6.399 -24.420 0.786 1.00 0.00 O ATOM 1013 CB ASP A 69 4.462 -25.331 -0.872 1.00 0.00 C ATOM 1014 CG ASP A 69 3.676 -26.448 -1.530 1.00 0.00 C ATOM 1015 OD1 ASP A 69 3.963 -27.628 -1.238 1.00 0.00 O ATOM 1016 OD2 ASP A 69 2.773 -26.142 -2.336 1.00 0.00 O ATOM 0 H ASP A 69 2.114 -24.832 1.085 1.00 0.00 H new ATOM 0 HA ASP A 69 3.903 -26.157 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.256 -24.393 -1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.528 -25.528 -0.982 1.00 0.00 H new ATOM 1021 N GLU A 70 5.128 -24.295 2.639 1.00 0.00 N ATOM 1022 CA GLU A 70 6.191 -23.731 3.462 1.00 0.00 C ATOM 1023 C GLU A 70 7.027 -22.734 2.663 1.00 0.00 C ATOM 1024 O GLU A 70 8.211 -22.539 2.937 1.00 0.00 O ATOM 1025 CB GLU A 70 7.089 -24.843 4.008 1.00 0.00 C ATOM 1026 CG GLU A 70 6.326 -25.947 4.719 1.00 0.00 C ATOM 1027 CD GLU A 70 7.170 -26.668 5.753 1.00 0.00 C ATOM 1028 OE1 GLU A 70 7.771 -25.984 6.608 1.00 0.00 O ATOM 1029 OE2 GLU A 70 7.229 -27.914 5.707 1.00 0.00 O ATOM 0 H GLU A 70 4.244 -24.434 3.128 1.00 0.00 H new ATOM 0 HA GLU A 70 5.728 -23.205 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.657 -25.277 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.811 -24.409 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.448 -25.522 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.966 -26.667 3.984 1.00 0.00 H new ATOM 1036 N LYS A 71 6.401 -22.106 1.674 1.00 0.00 N ATOM 1037 CA LYS A 71 7.084 -21.128 0.834 1.00 0.00 C ATOM 1038 C LYS A 71 6.474 -19.741 1.009 1.00 0.00 C ATOM 1039 O LYS A 71 5.490 -19.571 1.728 1.00 0.00 O ATOM 1040 CB LYS A 71 7.010 -21.548 -0.635 1.00 0.00 C ATOM 1041 CG LYS A 71 8.109 -22.512 -1.048 1.00 0.00 C ATOM 1042 CD LYS A 71 7.975 -22.919 -2.506 1.00 0.00 C ATOM 1043 CE LYS A 71 8.268 -21.755 -3.439 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.699 -21.345 -3.382 1.00 0.00 N ATOM 0 H LYS A 71 5.421 -22.257 1.434 1.00 0.00 H new ATOM 0 HA LYS A 71 8.129 -21.087 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.042 -22.012 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.064 -20.658 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.082 -22.047 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.072 -23.400 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.660 -23.739 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.967 -23.289 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.011 -22.035 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.637 -20.908 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.914 -20.722 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.879 -20.836 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.304 -22.190 -3.427 1.00 0.00 H new ATOM 1058 N MET A 72 7.066 -18.752 0.347 1.00 0.00 N ATOM 1059 CA MET A 72 6.578 -17.380 0.427 1.00 0.00 C ATOM 1060 C MET A 72 6.763 -16.659 -0.904 1.00 0.00 C ATOM 1061 O MET A 72 7.514 -17.112 -1.767 1.00 0.00 O ATOM 1062 CB MET A 72 7.308 -16.621 1.537 1.00 0.00 C ATOM 1063 CG MET A 72 8.814 -16.829 1.527 1.00 0.00 C ATOM 1064 SD MET A 72 9.726 -15.314 1.880 1.00 0.00 S ATOM 1065 CE MET A 72 8.809 -14.687 3.285 1.00 0.00 C ATOM 0 H MET A 72 7.884 -18.875 -0.250 1.00 0.00 H new ATOM 0 HA MET A 72 5.513 -17.412 0.658 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.096 -15.556 1.438 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.912 -16.936 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.077 -17.587 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.118 -17.213 0.553 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.426 -13.976 3.835 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.905 -14.188 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.537 -15.514 3.941 1.00 0.00 H new ATOM 1075 N ALA A 73 6.073 -15.534 -1.063 1.00 0.00 N ATOM 1076 CA ALA A 73 6.163 -14.749 -2.288 1.00 0.00 C ATOM 1077 C ALA A 73 6.119 -13.255 -1.988 1.00 0.00 C ATOM 1078 O ALA A 73 5.764 -12.845 -0.883 1.00 0.00 O ATOM 1079 CB ALA A 73 5.041 -15.131 -3.242 1.00 0.00 C ATOM 0 H ALA A 73 5.446 -15.146 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 73 7.120 -14.969 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.120 -14.537 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.119 -16.189 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.079 -14.940 -2.767 1.00 0.00 H new ATOM 1085 N MET A 74 6.483 -12.446 -2.977 1.00 0.00 N ATOM 1086 CA MET A 74 6.485 -10.997 -2.818 1.00 0.00 C ATOM 1087 C MET A 74 5.196 -10.388 -3.362 1.00 0.00 C ATOM 1088 O MET A 74 4.711 -10.784 -4.422 1.00 0.00 O ATOM 1089 CB MET A 74 7.692 -10.385 -3.531 1.00 0.00 C ATOM 1090 CG MET A 74 8.928 -10.278 -2.652 1.00 0.00 C ATOM 1091 SD MET A 74 10.404 -9.821 -3.581 1.00 0.00 S ATOM 1092 CE MET A 74 9.888 -8.259 -4.289 1.00 0.00 C ATOM 0 H MET A 74 6.781 -12.770 -3.897 1.00 0.00 H new ATOM 0 HA MET A 74 6.550 -10.774 -1.753 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.930 -10.988 -4.407 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.425 -9.391 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.751 -9.538 -1.872 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.098 -11.232 -2.154 1.00 0.00 H new ATOM 0 HE1 MET A 74 9.735 -8.379 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.956 -7.938 -3.823 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.658 -7.508 -4.114 1.00 0.00 H new ATOM 1102 N PHE A 75 4.646 -9.425 -2.630 1.00 0.00 N ATOM 1103 CA PHE A 75 3.413 -8.763 -3.039 1.00 0.00 C ATOM 1104 C PHE A 75 3.649 -7.276 -3.282 1.00 0.00 C ATOM 1105 O PHE A 75 4.021 -6.538 -2.369 1.00 0.00 O ATOM 1106 CB PHE A 75 2.330 -8.953 -1.975 1.00 0.00 C ATOM 1107 CG PHE A 75 1.577 -10.245 -2.110 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.253 -11.444 -2.270 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.192 -10.261 -2.077 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.563 -12.634 -2.394 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.504 -11.449 -2.200 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.182 -12.637 -2.360 1.00 0.00 C ATOM 0 H PHE A 75 5.035 -9.086 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 75 3.079 -9.216 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.791 -8.912 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.625 -8.123 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.333 -11.448 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.350 -9.335 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.103 -13.561 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.584 -11.448 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.360 -13.566 -2.458 1.00 0.00 H new ATOM 1122 N SER A 76 3.430 -6.842 -4.519 1.00 0.00 N ATOM 1123 CA SER A 76 3.623 -5.443 -4.884 1.00 0.00 C ATOM 1124 C SER A 76 2.341 -4.644 -4.670 1.00 0.00 C ATOM 1125 O SER A 76 1.278 -5.007 -5.176 1.00 0.00 O ATOM 1126 CB SER A 76 4.069 -5.332 -6.343 1.00 0.00 C ATOM 1127 OG SER A 76 5.445 -5.643 -6.481 1.00 0.00 O ATOM 0 H SER A 76 3.119 -7.439 -5.285 1.00 0.00 H new ATOM 0 HA SER A 76 4.400 -5.029 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.477 -6.008 -6.960 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.883 -4.322 -6.708 1.00 0.00 H new ATOM 0 HG SER A 76 5.705 -5.566 -7.423 1.00 0.00 H new ATOM 1133 N LEU A 77 2.449 -3.556 -3.917 1.00 0.00 N ATOM 1134 CA LEU A 77 1.299 -2.703 -3.635 1.00 0.00 C ATOM 1135 C LEU A 77 1.512 -1.299 -4.190 1.00 0.00 C ATOM 1136 O LEU A 77 2.106 -0.444 -3.533 1.00 0.00 O ATOM 1137 CB LEU A 77 1.048 -2.635 -2.127 1.00 0.00 C ATOM 1138 CG LEU A 77 0.103 -3.693 -1.556 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.818 -5.028 -1.416 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.455 -3.241 -0.214 1.00 0.00 C ATOM 0 H LEU A 77 3.321 -3.243 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 77 0.427 -3.138 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.007 -2.719 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.645 -1.650 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.729 -3.821 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.130 -5.768 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.168 -5.358 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.670 -4.916 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.125 -4.006 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.365 -3.084 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.005 -2.309 -0.344 1.00 0.00 H new ATOM 1152 N ALA A 78 1.022 -1.068 -5.404 1.00 0.00 N ATOM 1153 CA ALA A 78 1.156 0.234 -6.046 1.00 0.00 C ATOM 1154 C ALA A 78 0.252 1.269 -5.383 1.00 0.00 C ATOM 1155 O ALA A 78 -0.924 1.391 -5.727 1.00 0.00 O ATOM 1156 CB ALA A 78 0.837 0.126 -7.530 1.00 0.00 C ATOM 0 H ALA A 78 0.529 -1.765 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 78 2.188 0.564 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.941 1.106 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.526 -0.575 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.185 -0.230 -7.657 1.00 0.00 H new ATOM 1162 N CYS A 79 0.809 2.010 -4.431 1.00 0.00 N ATOM 1163 CA CYS A 79 0.053 3.033 -3.719 1.00 0.00 C ATOM 1164 C CYS A 79 0.266 4.405 -4.349 1.00 0.00 C ATOM 1165 O CYS A 79 1.378 4.935 -4.345 1.00 0.00 O ATOM 1166 CB CYS A 79 0.462 3.066 -2.245 1.00 0.00 C ATOM 1167 SG CYS A 79 0.363 1.463 -1.416 1.00 0.00 S ATOM 0 H CYS A 79 1.781 1.921 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.005 2.782 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.483 3.439 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.176 3.776 -1.718 1.00 0.00 H new ATOM 0 HG CYS A 79 1.019 0.577 -2.105 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.804 4.975 -4.892 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.733 6.285 -5.527 1.00 0.00 C ATOM 1175 C ILE A 80 -1.642 7.287 -4.823 1.00 0.00 C ATOM 1176 O ILE A 80 -2.859 7.106 -4.769 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.124 6.211 -7.015 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.213 5.230 -7.756 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.053 7.592 -7.650 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.637 4.974 -9.185 1.00 0.00 C ATOM 0 H ILE A 80 -1.731 4.550 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 80 0.302 6.619 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.150 5.851 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.805 5.618 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.196 4.284 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.332 7.524 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.739 8.265 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.037 7.978 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.054 4.270 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.644 4.556 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.627 5.911 -9.741 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.044 8.344 -4.287 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.800 9.378 -3.588 1.00 0.00 C ATOM 1194 C LEU A 81 -2.202 10.498 -4.542 1.00 0.00 C ATOM 1195 O LEU A 81 -1.361 11.174 -5.135 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.974 9.948 -2.433 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.243 8.926 -1.561 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.595 9.628 -0.505 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.236 7.973 -0.911 1.00 0.00 C ATOM 0 H LEU A 81 -0.038 8.508 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.707 8.923 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.237 10.637 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.635 10.534 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 81 0.425 8.345 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.108 8.885 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.331 10.268 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.052 10.235 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.699 7.253 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.929 8.539 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.793 7.444 -1.685 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.519 10.702 -4.693 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.063 11.742 -5.571 1.00 0.00 C ATOM 1213 C PRO A 82 -3.807 13.146 -5.035 1.00 0.00 C ATOM 1214 O PRO A 82 -3.060 13.328 -4.073 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.564 11.442 -5.589 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.822 10.728 -4.308 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.578 9.935 -4.017 1.00 0.00 C ATOM 0 HA PRO A 82 -3.599 11.726 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.150 12.358 -5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.835 10.827 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.032 11.433 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.690 10.074 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.394 9.854 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.649 8.919 -4.406 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.431 14.137 -5.663 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.270 15.526 -5.249 1.00 0.00 C ATOM 1227 C PHE A 83 -5.304 15.902 -4.192 1.00 0.00 C ATOM 1228 O PHE A 83 -5.128 16.869 -3.450 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.397 16.458 -6.456 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.855 15.870 -7.728 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.552 15.402 -7.790 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -4.649 15.783 -8.860 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -2.051 14.861 -8.959 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -4.154 15.242 -10.031 1.00 0.00 C ATOM 1235 CZ PHE A 83 -2.853 14.780 -10.081 1.00 0.00 C ATOM 0 H PHE A 83 -5.053 14.004 -6.461 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.276 15.637 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.447 16.711 -6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.872 17.389 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.921 15.461 -6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.667 16.142 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.033 14.502 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.784 15.180 -10.906 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.464 14.356 -10.995 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.385 15.131 -4.129 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.448 15.380 -3.164 1.00 0.00 C ATOM 1247 C LYS A 84 -7.044 14.898 -1.774 1.00 0.00 C ATOM 1248 O LYS A 84 -7.231 15.606 -0.783 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.737 14.682 -3.602 1.00 0.00 C ATOM 1250 CG LYS A 84 -9.087 14.912 -5.062 1.00 0.00 C ATOM 1251 CD LYS A 84 -10.591 14.960 -5.275 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.963 15.899 -6.412 1.00 0.00 C ATOM 1253 NZ LYS A 84 -12.303 15.579 -6.979 1.00 0.00 N ATOM 0 H LYS A 84 -6.547 14.328 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.621 16.455 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.639 13.611 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.560 15.034 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.641 15.847 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.658 14.115 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.961 13.958 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.079 15.287 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.958 16.927 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.211 15.834 -7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.520 16.241 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.301 14.606 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.025 15.666 -6.235 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.490 13.693 -1.708 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.061 13.118 -0.439 1.00 0.00 C ATOM 1269 C TYR A 85 -5.722 14.212 0.569 1.00 0.00 C ATOM 1270 O TYR A 85 -5.147 15.247 0.230 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.848 12.210 -0.651 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.792 11.041 0.306 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.898 10.223 0.499 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.633 10.754 1.017 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.852 9.154 1.373 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.578 9.686 1.892 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.690 8.889 2.066 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.639 7.825 2.938 1.00 0.00 O ATOM 0 H TYR A 85 -6.327 13.095 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.885 12.526 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.862 11.832 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.939 12.801 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.810 10.426 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.760 11.376 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.722 8.529 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.669 9.477 2.437 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.488 7.758 3.423 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.085 13.978 1.839 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.769 12.750 2.253 1.00 0.00 C ATOM 1290 C PRO A 86 -8.199 12.678 1.728 1.00 0.00 C ATOM 1291 O PRO A 86 -8.851 11.638 1.817 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.764 12.840 3.781 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.679 14.298 4.075 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.855 14.895 2.968 1.00 0.00 C ATOM 0 HA PRO A 86 -6.278 11.858 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.667 12.403 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.918 12.300 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.671 14.748 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.215 14.474 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.174 15.910 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.800 14.946 3.235 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.680 13.789 1.181 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.032 13.850 0.639 1.00 0.00 C ATOM 1304 C ALA A 87 -10.466 12.495 0.092 1.00 0.00 C ATOM 1305 O ALA A 87 -11.243 11.779 0.724 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.118 14.912 -0.447 1.00 0.00 C ATOM 0 H ALA A 87 -8.154 14.659 1.101 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.710 14.119 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.133 14.946 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.859 15.884 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.423 14.668 -1.251 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.960 12.148 -1.087 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.296 10.877 -1.719 1.00 0.00 C ATOM 1314 C VAL A 88 -9.210 9.837 -1.471 1.00 0.00 C ATOM 1315 O VAL A 88 -8.036 10.064 -1.769 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.497 11.042 -3.237 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.252 12.327 -3.539 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.158 11.018 -3.957 1.00 0.00 C ATOM 0 H VAL A 88 -9.316 12.729 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.230 10.537 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.093 10.205 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.385 12.426 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.228 12.298 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.685 13.179 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.319 11.136 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.534 11.834 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.660 10.067 -3.767 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.608 8.693 -0.924 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.668 7.615 -0.636 1.00 0.00 C ATOM 1330 C LEU A 89 -7.686 7.427 -1.788 1.00 0.00 C ATOM 1331 O LEU A 89 -7.921 7.864 -2.914 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.423 6.310 -0.376 1.00 0.00 C ATOM 1333 CG LEU A 89 -9.863 6.066 1.068 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.855 4.915 1.136 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -8.657 5.785 1.953 1.00 0.00 C ATOM 0 H LEU A 89 -10.575 8.488 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.104 7.886 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.308 6.292 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.790 5.479 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.356 6.966 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.157 4.756 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.732 5.155 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.388 4.009 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.989 5.614 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.136 4.900 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.981 6.640 1.929 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.559 6.758 -1.501 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.519 6.494 -2.501 1.00 0.00 C ATOM 1349 C PRO A 90 -5.968 5.483 -3.551 1.00 0.00 C ATOM 1350 O PRO A 90 -7.138 5.105 -3.600 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.365 5.926 -1.671 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.017 5.342 -0.465 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.213 6.208 -0.180 1.00 0.00 C ATOM 0 HA PRO A 90 -5.257 7.390 -3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.812 5.169 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.653 6.705 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.317 4.310 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.332 5.332 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.035 5.631 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.977 6.997 0.534 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.030 5.050 -4.388 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.331 4.083 -5.437 1.00 0.00 C ATOM 1363 C GLU A 91 -4.390 2.885 -5.358 1.00 0.00 C ATOM 1364 O GLU A 91 -3.663 2.590 -6.307 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.223 4.741 -6.814 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.174 5.910 -7.007 1.00 0.00 C ATOM 1367 CD GLU A 91 -6.475 6.182 -8.468 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -5.567 6.656 -9.183 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.619 5.921 -8.897 1.00 0.00 O ATOM 0 H GLU A 91 -4.057 5.353 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.352 3.731 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.200 5.087 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.421 3.993 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.106 5.706 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.742 6.803 -6.557 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.410 2.198 -4.220 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.560 1.032 -4.018 1.00 0.00 C ATOM 1378 C ILE A 92 -3.968 -0.113 -4.938 1.00 0.00 C ATOM 1379 O ILE A 92 -5.132 -0.514 -4.971 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.611 0.545 -2.557 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.260 1.688 -1.603 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.663 -0.629 -2.357 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.634 1.410 -0.164 1.00 0.00 C ATOM 0 H ILE A 92 -5.005 2.429 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.542 1.339 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.625 0.211 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.189 1.883 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.767 2.595 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.710 -0.962 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.954 -1.448 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.645 -0.319 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.356 2.263 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.709 1.245 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.107 0.522 0.184 1.00 0.00 H new ATOM 1395 N THR A 93 -3.002 -0.639 -5.685 1.00 0.00 N ATOM 1396 CA THR A 93 -3.260 -1.738 -6.606 1.00 0.00 C ATOM 1397 C THR A 93 -2.407 -2.954 -6.263 1.00 0.00 C ATOM 1398 O THR A 93 -1.217 -2.998 -6.573 1.00 0.00 O ATOM 1399 CB THR A 93 -2.984 -1.327 -8.064 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.796 -0.201 -8.418 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.266 -2.480 -9.015 1.00 0.00 C ATOM 0 H THR A 93 -2.033 -0.321 -5.670 1.00 0.00 H new ATOM 0 HA THR A 93 -4.314 -1.995 -6.503 1.00 0.00 H new ATOM 0 HB THR A 93 -1.931 -1.057 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.613 0.055 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.064 -2.165 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.626 -3.325 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.311 -2.777 -8.927 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.024 -3.942 -5.621 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.321 -5.160 -5.238 1.00 0.00 C ATOM 1411 C VAL A 94 -2.047 -6.042 -6.451 1.00 0.00 C ATOM 1412 O VAL A 94 -2.948 -6.330 -7.238 1.00 0.00 O ATOM 1413 CB VAL A 94 -3.124 -5.969 -4.201 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.336 -7.189 -3.749 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.494 -5.093 -3.014 1.00 0.00 C ATOM 0 H VAL A 94 -4.009 -3.922 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.374 -4.852 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.045 -6.315 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.919 -7.748 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.126 -7.826 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.397 -6.869 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.061 -5.680 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.586 -4.716 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.101 -4.254 -3.356 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.796 -6.467 -6.596 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.402 -7.315 -7.714 1.00 0.00 C ATOM 1427 C ARG A 95 0.589 -8.385 -7.262 1.00 0.00 C ATOM 1428 O ARG A 95 1.595 -8.082 -6.621 1.00 0.00 O ATOM 1429 CB ARG A 95 0.216 -6.471 -8.829 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.793 -5.613 -9.575 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.381 -6.353 -10.766 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.917 -5.437 -11.769 1.00 0.00 N ATOM 1433 CZ ARG A 95 -2.244 -5.807 -13.002 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.092 -7.068 -13.382 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -2.725 -4.915 -13.858 1.00 0.00 N ATOM 0 H ARG A 95 -0.038 -6.238 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.296 -7.809 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.983 -5.826 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.714 -7.131 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.594 -5.319 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.311 -4.697 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.612 -6.978 -11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.173 -7.020 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.047 -4.460 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.723 -7.757 -12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.344 -7.349 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.844 -3.944 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.976 -5.200 -14.805 1.00 0.00 H new ATOM 1449 N SER A 96 0.296 -9.636 -7.602 1.00 0.00 N ATOM 1450 CA SER A 96 1.159 -10.751 -7.228 1.00 0.00 C ATOM 1451 C SER A 96 1.085 -11.867 -8.266 1.00 0.00 C ATOM 1452 O SER A 96 0.000 -12.288 -8.665 1.00 0.00 O ATOM 1453 CB SER A 96 0.762 -11.291 -5.853 1.00 0.00 C ATOM 1454 OG SER A 96 1.498 -12.459 -5.532 1.00 0.00 O ATOM 0 H SER A 96 -0.531 -9.903 -8.135 1.00 0.00 H new ATOM 0 HA SER A 96 2.185 -10.386 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.936 -10.528 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.305 -11.515 -5.841 1.00 0.00 H new ATOM 0 HG SER A 96 1.548 -12.557 -4.558 1.00 0.00 H new ATOM 1460 N VAL A 97 2.249 -12.341 -8.699 1.00 0.00 N ATOM 1461 CA VAL A 97 2.318 -13.408 -9.690 1.00 0.00 C ATOM 1462 C VAL A 97 1.380 -14.554 -9.330 1.00 0.00 C ATOM 1463 O VAL A 97 0.770 -15.170 -10.205 1.00 0.00 O ATOM 1464 CB VAL A 97 3.752 -13.956 -9.826 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.750 -15.272 -10.588 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.649 -12.935 -10.509 1.00 0.00 C ATOM 0 H VAL A 97 3.157 -12.003 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 97 2.010 -12.976 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 97 4.148 -14.143 -8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.771 -15.644 -10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.142 -16.001 -10.053 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.336 -15.115 -11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.658 -13.338 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.258 -12.714 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.674 -12.020 -9.918 1.00 0.00 H new ATOM 1476 N LEU A 98 1.269 -14.836 -8.036 1.00 0.00 N ATOM 1477 CA LEU A 98 0.403 -15.909 -7.558 1.00 0.00 C ATOM 1478 C LEU A 98 -1.064 -15.581 -7.817 1.00 0.00 C ATOM 1479 O LEU A 98 -1.784 -16.360 -8.443 1.00 0.00 O ATOM 1480 CB LEU A 98 0.629 -16.146 -6.064 1.00 0.00 C ATOM 1481 CG LEU A 98 1.953 -16.810 -5.683 1.00 0.00 C ATOM 1482 CD1 LEU A 98 3.082 -15.791 -5.684 1.00 0.00 C ATOM 1483 CD2 LEU A 98 1.839 -17.481 -4.322 1.00 0.00 C ATOM 0 H LEU A 98 1.768 -14.337 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 98 0.655 -16.817 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.566 -15.187 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.186 -16.764 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 98 2.181 -17.574 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.016 -16.282 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.179 -15.356 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.862 -15.003 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.790 -17.949 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.587 -16.735 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.058 -18.241 -4.355 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.500 -14.423 -7.333 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.881 -13.990 -7.513 1.00 0.00 C ATOM 1497 C LEU A 99 -3.231 -13.889 -8.994 1.00 0.00 C ATOM 1498 O LEU A 99 -2.711 -13.030 -9.708 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.107 -12.640 -6.830 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.024 -12.638 -5.304 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.107 -11.218 -4.767 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.127 -13.500 -4.709 1.00 0.00 C ATOM 0 H LEU A 99 -0.917 -13.767 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.532 -14.735 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.372 -11.933 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.089 -12.268 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.063 -13.060 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.046 -11.236 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.281 -10.629 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.053 -10.769 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.052 -13.487 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.098 -13.108 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.022 -14.524 -5.068 1.00 0.00 H new ATOM 1514 N SER A 100 -4.117 -14.769 -9.450 1.00 0.00 N ATOM 1515 CA SER A 100 -4.536 -14.779 -10.847 1.00 0.00 C ATOM 1516 C SER A 100 -5.255 -13.483 -11.208 1.00 0.00 C ATOM 1517 O SER A 100 -5.866 -12.841 -10.354 1.00 0.00 O ATOM 1518 CB SER A 100 -5.449 -15.976 -11.118 1.00 0.00 C ATOM 1519 OG SER A 100 -4.826 -17.190 -10.737 1.00 0.00 O ATOM 0 H SER A 100 -4.559 -15.484 -8.872 1.00 0.00 H new ATOM 0 HA SER A 100 -3.644 -14.863 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.384 -15.856 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.703 -16.011 -12.177 1.00 0.00 H new ATOM 0 HG SER A 100 -5.431 -17.939 -10.919 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.178 -13.106 -12.480 1.00 0.00 N ATOM 1526 CA ARG A 101 -5.820 -11.886 -12.955 1.00 0.00 C ATOM 1527 C ARG A 101 -7.196 -11.714 -12.320 1.00 0.00 C ATOM 1528 O ARG A 101 -7.538 -10.634 -11.838 1.00 0.00 O ATOM 1529 CB ARG A 101 -5.949 -11.913 -14.479 1.00 0.00 C ATOM 1530 CG ARG A 101 -6.325 -10.570 -15.082 1.00 0.00 C ATOM 1531 CD ARG A 101 -7.834 -10.382 -15.126 1.00 0.00 C ATOM 1532 NE ARG A 101 -8.481 -11.350 -16.007 1.00 0.00 N ATOM 1533 CZ ARG A 101 -8.447 -11.273 -17.333 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -7.801 -10.280 -17.927 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -9.060 -12.193 -18.068 1.00 0.00 N ATOM 0 H ARG A 101 -4.678 -13.627 -13.200 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.197 -11.040 -12.665 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.004 -12.243 -14.909 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.701 -12.651 -14.759 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.874 -9.768 -14.497 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.918 -10.496 -16.091 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.241 -10.480 -14.119 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.064 -9.372 -15.466 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.986 -12.127 -15.582 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.328 -9.572 -17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.777 -10.224 -18.945 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.557 -12.960 -17.615 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.034 -12.133 -19.086 1.00 0.00 H new ATOM 1549 N SER A 102 -7.983 -12.785 -12.325 1.00 0.00 N ATOM 1550 CA SER A 102 -9.324 -12.751 -11.754 1.00 0.00 C ATOM 1551 C SER A 102 -9.265 -12.606 -10.236 1.00 0.00 C ATOM 1552 O SER A 102 -9.826 -11.668 -9.670 1.00 0.00 O ATOM 1553 CB SER A 102 -10.092 -14.021 -12.126 1.00 0.00 C ATOM 1554 OG SER A 102 -9.407 -15.180 -11.683 1.00 0.00 O ATOM 0 H SER A 102 -7.715 -13.687 -12.718 1.00 0.00 H new ATOM 0 HA SER A 102 -9.845 -11.886 -12.165 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.087 -13.991 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.226 -14.065 -13.207 1.00 0.00 H new ATOM 0 HG SER A 102 -9.919 -15.978 -11.931 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.581 -13.540 -9.585 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.448 -13.517 -8.133 1.00 0.00 C ATOM 1562 C GLN A 103 -8.084 -12.120 -7.642 1.00 0.00 C ATOM 1563 O GLN A 103 -8.837 -11.500 -6.893 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.388 -14.523 -7.680 1.00 0.00 C ATOM 1565 CG GLN A 103 -7.812 -15.972 -7.851 1.00 0.00 C ATOM 1566 CD GLN A 103 -6.637 -16.930 -7.834 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -5.644 -16.700 -7.144 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -6.744 -18.012 -8.596 1.00 0.00 N ATOM 0 H GLN A 103 -8.110 -14.322 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.409 -13.795 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.472 -14.352 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.153 -14.343 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.506 -16.240 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -8.351 -16.080 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.586 -18.163 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.985 -18.692 -8.625 1.00 0.00 H new ATOM 1577 N GLN A 104 -6.923 -11.632 -8.069 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.459 -10.309 -7.671 1.00 0.00 C ATOM 1579 C GLN A 104 -7.607 -9.304 -7.678 1.00 0.00 C ATOM 1580 O GLN A 104 -7.881 -8.651 -6.670 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.345 -9.834 -8.605 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.695 -8.532 -8.165 1.00 0.00 C ATOM 1583 CD GLN A 104 -4.174 -8.592 -6.742 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -3.018 -8.942 -6.506 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.028 -8.249 -5.784 1.00 0.00 N ATOM 0 H GLN A 104 -6.288 -12.133 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.068 -10.379 -6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.581 -10.609 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.753 -9.706 -9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.872 -8.295 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.420 -7.722 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.978 -7.965 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.734 -8.270 -4.807 1.00 0.00 H new ATOM 1594 N THR A 105 -8.276 -9.185 -8.820 1.00 0.00 N ATOM 1595 CA THR A 105 -9.393 -8.259 -8.959 1.00 0.00 C ATOM 1596 C THR A 105 -10.280 -8.279 -7.719 1.00 0.00 C ATOM 1597 O THR A 105 -10.464 -7.255 -7.062 1.00 0.00 O ATOM 1598 CB THR A 105 -10.250 -8.594 -10.195 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.440 -8.561 -11.375 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.402 -7.611 -10.336 1.00 0.00 C ATOM 0 H THR A 105 -8.064 -9.719 -9.663 1.00 0.00 H new ATOM 0 HA THR A 105 -8.966 -7.264 -9.081 1.00 0.00 H new ATOM 0 HB THR A 105 -10.661 -9.595 -10.065 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.888 -9.370 -11.415 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.993 -7.867 -11.215 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.032 -7.659 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.007 -6.601 -10.446 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.826 -9.449 -7.406 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.694 -9.600 -6.244 1.00 0.00 C ATOM 1610 C GLN A 106 -11.033 -9.032 -4.993 1.00 0.00 C ATOM 1611 O GLN A 106 -11.660 -8.305 -4.222 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.040 -11.075 -6.028 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.095 -11.301 -4.958 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.448 -10.738 -5.344 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.273 -11.428 -5.943 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.684 -9.476 -5.001 1.00 0.00 N ATOM 0 H GLN A 106 -10.683 -10.306 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.612 -9.043 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.392 -11.499 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.134 -11.616 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.191 -12.370 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.767 -10.840 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.972 -8.941 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.578 -9.043 -5.234 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.763 -9.368 -4.797 1.00 0.00 N ATOM 1626 CA LEU A 107 -9.015 -8.891 -3.638 1.00 0.00 C ATOM 1627 C LEU A 107 -9.011 -7.367 -3.582 1.00 0.00 C ATOM 1628 O LEU A 107 -9.464 -6.771 -2.606 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.579 -9.415 -3.682 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.676 -8.997 -2.521 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.557 -10.008 -2.324 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -6.105 -7.607 -2.763 1.00 0.00 C ATOM 0 H LEU A 107 -9.229 -9.969 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.505 -9.268 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.612 -10.504 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.120 -9.080 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.276 -8.968 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.925 -9.694 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.985 -10.986 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.958 -10.070 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.465 -7.326 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.520 -7.609 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.920 -6.889 -2.853 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.499 -6.743 -4.638 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.438 -5.287 -4.710 1.00 0.00 C ATOM 1646 C ASN A 108 -9.763 -4.665 -4.277 1.00 0.00 C ATOM 1647 O ASN A 108 -9.812 -3.874 -3.334 1.00 0.00 O ATOM 1648 CB ASN A 108 -8.093 -4.840 -6.132 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.597 -4.713 -6.350 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.982 -3.726 -5.948 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -6.006 -5.714 -6.991 1.00 0.00 N ATOM 0 H ASN A 108 -8.121 -7.222 -5.455 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.657 -4.947 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.502 -5.556 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.570 -3.881 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.002 -5.684 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.556 -6.513 -7.306 1.00 0.00 H new ATOM 1658 N THR A 109 -10.836 -5.029 -4.972 1.00 0.00 N ATOM 1659 CA THR A 109 -12.161 -4.507 -4.660 1.00 0.00 C ATOM 1660 C THR A 109 -12.401 -4.479 -3.155 1.00 0.00 C ATOM 1661 O THR A 109 -12.988 -3.534 -2.628 1.00 0.00 O ATOM 1662 CB THR A 109 -13.266 -5.345 -5.330 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.998 -5.481 -6.730 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.630 -4.700 -5.130 1.00 0.00 C ATOM 0 H THR A 109 -10.814 -5.683 -5.754 1.00 0.00 H new ATOM 0 HA THR A 109 -12.200 -3.490 -5.049 1.00 0.00 H new ATOM 0 HB THR A 109 -13.276 -6.331 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.304 -6.159 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.395 -5.309 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.844 -4.625 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.629 -3.703 -5.571 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.943 -5.520 -2.469 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.107 -5.614 -1.023 1.00 0.00 C ATOM 1674 C ASP A 110 -11.131 -4.687 -0.304 1.00 0.00 C ATOM 1675 O ASP A 110 -11.535 -3.838 0.491 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.899 -7.055 -0.557 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.042 -7.965 -0.961 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.365 -8.013 -2.166 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.613 -8.631 -0.072 1.00 0.00 O ATOM 0 H ASP A 110 -11.455 -6.310 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.123 -5.304 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.968 -7.438 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.792 -7.071 0.528 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.844 -4.858 -0.588 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.809 -4.038 0.032 1.00 0.00 C ATOM 1686 C LEU A 111 -9.271 -2.591 0.171 1.00 0.00 C ATOM 1687 O LEU A 111 -9.239 -2.018 1.261 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.522 -4.097 -0.792 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.468 -3.038 -0.468 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.037 -3.141 0.986 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.268 -3.179 -1.394 1.00 0.00 C ATOM 0 H LEU A 111 -9.493 -5.557 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.614 -4.435 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.073 -5.081 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.785 -4.008 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.909 -2.054 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.287 -2.379 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.901 -2.989 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.614 -4.128 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.528 -2.417 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.826 -4.168 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.589 -3.053 -2.428 1.00 0.00 H new ATOM 1703 N THR A 112 -9.704 -2.003 -0.941 1.00 0.00 N ATOM 1704 CA THR A 112 -10.174 -0.624 -0.943 1.00 0.00 C ATOM 1705 C THR A 112 -11.379 -0.452 -0.026 1.00 0.00 C ATOM 1706 O THR A 112 -11.409 0.448 0.813 1.00 0.00 O ATOM 1707 CB THR A 112 -10.554 -0.163 -2.363 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.427 -0.289 -3.237 1.00 0.00 O ATOM 1709 CG2 THR A 112 -11.034 1.281 -2.353 1.00 0.00 C ATOM 0 H THR A 112 -9.738 -2.461 -1.852 1.00 0.00 H new ATOM 0 HA THR A 112 -9.352 -0.009 -0.576 1.00 0.00 H new ATOM 0 HB THR A 112 -11.365 -0.797 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.677 0.004 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.297 1.584 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.909 1.369 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.240 1.926 -1.976 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.371 -1.321 -0.190 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.577 -1.266 0.626 1.00 0.00 C ATOM 1719 C ALA A 113 -13.234 -1.122 2.105 1.00 0.00 C ATOM 1720 O ALA A 113 -13.735 -0.225 2.784 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.425 -2.509 0.398 1.00 0.00 C ATOM 0 H ALA A 113 -12.363 -2.071 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.149 -0.388 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.323 -2.455 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.709 -2.568 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.852 -3.395 0.670 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.377 -2.009 2.598 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.968 -1.981 3.997 1.00 0.00 C ATOM 1729 C PHE A 114 -11.759 -0.547 4.475 1.00 0.00 C ATOM 1730 O PHE A 114 -12.375 -0.108 5.447 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.681 -2.787 4.191 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.883 -2.363 5.390 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.313 -2.673 6.671 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.703 -1.652 5.238 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.580 -2.285 7.776 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.966 -1.261 6.340 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.406 -1.577 7.610 1.00 0.00 C ATOM 0 H PHE A 114 -11.952 -2.756 2.049 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.764 -2.431 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.934 -3.843 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.062 -2.688 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.232 -3.224 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.355 -1.401 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.925 -2.535 8.768 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -7.047 -0.709 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.833 -1.271 8.473 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.887 0.179 3.784 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.596 1.564 4.136 1.00 0.00 C ATOM 1749 C LEU A 115 -11.854 2.423 4.053 1.00 0.00 C ATOM 1750 O LEU A 115 -12.260 3.041 5.037 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.517 2.130 3.211 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.268 1.267 3.029 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.654 1.499 1.658 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.254 1.558 4.126 1.00 0.00 C ATOM 0 H LEU A 115 -10.369 -0.169 2.977 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.232 1.583 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.961 2.302 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.209 3.102 3.597 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.560 0.219 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.766 0.876 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.378 1.239 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.376 2.548 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.372 0.935 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.967 2.609 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.696 1.339 5.098 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.467 2.455 2.874 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.679 3.237 2.665 1.00 0.00 C ATOM 1768 C GLN A 116 -14.602 3.145 3.876 1.00 0.00 C ATOM 1769 O GLN A 116 -15.280 4.111 4.228 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.413 2.754 1.413 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.585 2.862 0.143 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.423 2.728 -1.114 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -14.399 1.546 -1.718 1.00 0.00 O flip ATOM 1774 NE2 GLN A 116 -15.083 3.677 -1.537 1.00 0.00 N flip ATOM 0 H GLN A 116 -12.144 1.949 2.050 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.390 4.279 2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.712 1.715 1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.327 3.335 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.069 3.822 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.817 2.088 0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -15.072 4.568 -1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.641 3.573 -2.384 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.623 1.978 4.510 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.462 1.759 5.683 1.00 0.00 C ATOM 1785 C LYS A 117 -14.831 2.379 6.926 1.00 0.00 C ATOM 1786 O LYS A 117 -15.390 3.297 7.527 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.685 0.262 5.904 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.947 -0.269 5.246 1.00 0.00 C ATOM 1789 CD LYS A 117 -16.799 -1.729 4.851 1.00 0.00 C ATOM 1790 CE LYS A 117 -17.219 -2.657 5.981 1.00 0.00 C ATOM 1791 NZ LYS A 117 -17.717 -3.963 5.468 1.00 0.00 N ATOM 0 H LYS A 117 -14.068 1.168 4.231 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.424 2.241 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.826 -0.286 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.733 0.065 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.788 -0.160 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.176 0.326 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.405 -1.931 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.763 -1.930 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.372 -2.827 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.998 -2.178 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.993 -4.568 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.541 -3.803 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.965 -4.432 4.924 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.662 1.872 7.306 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.954 2.377 8.477 1.00 0.00 C ATOM 1807 C HIS A 118 -12.114 3.599 8.118 1.00 0.00 C ATOM 1808 O HIS A 118 -12.389 4.709 8.574 1.00 0.00 O ATOM 1809 CB HIS A 118 -12.062 1.286 9.070 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.808 0.045 9.452 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -13.623 -0.032 10.561 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.859 -1.173 8.864 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -14.143 -1.244 10.640 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.695 -1.956 9.621 1.00 0.00 N ATOM 0 H HIS A 118 -13.185 1.112 6.820 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.695 2.673 9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.289 1.027 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.555 1.681 9.950 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.339 -1.473 7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.819 -1.593 11.407 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.932 -2.929 9.428 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.089 3.386 7.300 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.207 4.470 6.881 1.00 0.00 C ATOM 1825 C CYS A 119 -10.846 5.291 5.766 1.00 0.00 C ATOM 1826 O CYS A 119 -10.732 4.953 4.588 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.863 3.910 6.413 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.922 3.069 7.707 1.00 0.00 S ATOM 0 H CYS A 119 -10.848 2.473 6.914 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.042 5.122 7.738 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.038 3.212 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.261 4.726 6.013 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.902 1.791 7.468 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.521 6.371 6.147 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.181 7.241 5.179 1.00 0.00 C ATOM 1836 C HIS A 120 -11.914 8.709 5.497 1.00 0.00 C ATOM 1837 O HIS A 120 -12.243 9.188 6.582 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.686 6.975 5.165 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.415 7.714 4.085 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.764 7.995 4.144 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -13.975 8.233 2.915 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.122 8.653 3.056 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.055 8.811 2.294 1.00 0.00 N ATOM 0 H HIS A 120 -11.625 6.665 7.118 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.772 7.021 4.193 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.856 5.906 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.105 7.254 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.963 8.199 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.118 9.002 2.828 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.036 9.285 1.391 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.316 9.417 4.545 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.015 10.823 4.744 1.00 0.00 C ATOM 1854 C GLY A 121 -9.855 11.038 5.696 1.00 0.00 C ATOM 1855 O GLY A 121 -9.881 11.954 6.519 1.00 0.00 O ATOM 0 H GLY A 121 -11.034 9.043 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.782 11.281 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.899 11.329 5.133 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.837 10.192 5.587 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.663 10.293 6.446 1.00 0.00 C ATOM 1861 C ASP A 122 -6.461 9.605 5.807 1.00 0.00 C ATOM 1862 O ASP A 122 -6.615 8.724 4.961 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.952 9.676 7.816 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.382 9.905 8.264 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.672 11.004 8.781 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.211 8.986 8.099 1.00 0.00 O ATOM 0 H ASP A 122 -8.801 9.428 4.912 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.427 11.349 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.753 8.605 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.271 10.101 8.553 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.265 10.013 6.217 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.036 9.436 5.685 1.00 0.00 C ATOM 1873 C VAL A 123 -3.681 8.140 6.406 1.00 0.00 C ATOM 1874 O VAL A 123 -2.996 8.155 7.429 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.856 10.418 5.807 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.120 11.674 4.991 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.599 10.764 7.266 1.00 0.00 C ATOM 0 H VAL A 123 -5.120 10.741 6.916 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.216 9.225 4.631 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.963 9.936 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.275 12.356 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.250 11.406 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.024 12.161 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.762 11.459 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.489 11.226 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.361 9.855 7.819 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.150 7.022 5.865 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.882 5.715 6.456 1.00 0.00 C ATOM 1889 C CYS A 124 -3.476 4.707 5.387 1.00 0.00 C ATOM 1890 O CYS A 124 -4.304 3.936 4.901 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.114 5.211 7.209 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.511 6.159 8.697 1.00 0.00 S ATOM 0 H CYS A 124 -4.718 6.993 5.018 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.055 5.824 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.972 5.235 6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.955 4.169 7.487 1.00 0.00 H new ATOM 0 HG CYS A 124 -6.569 5.657 9.262 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.199 4.720 5.023 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.684 3.807 4.010 1.00 0.00 C ATOM 1900 C ILE A 125 -1.332 2.453 4.618 1.00 0.00 C ATOM 1901 O ILE A 125 -1.572 1.407 4.014 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.437 4.384 3.314 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.795 5.667 2.560 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.163 3.356 2.366 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.892 5.480 1.536 1.00 0.00 C ATOM 0 H ILE A 125 -1.501 5.353 5.414 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.475 3.677 3.271 1.00 0.00 H new ATOM 0 HB ILE A 125 0.306 4.627 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.105 6.426 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.097 6.046 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.043 3.778 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.449 2.467 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.573 3.086 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.093 6.430 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.577 4.744 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.797 5.131 2.032 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.763 2.480 5.818 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.379 1.255 6.510 1.00 0.00 C ATOM 1919 C LEU A 126 -1.594 0.368 6.762 1.00 0.00 C ATOM 1920 O LEU A 126 -1.564 -0.833 6.496 1.00 0.00 O ATOM 1921 CB LEU A 126 0.307 1.588 7.837 1.00 0.00 C ATOM 1922 CG LEU A 126 1.766 2.036 7.744 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.150 2.859 8.964 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.685 0.832 7.599 1.00 0.00 C ATOM 0 H LEU A 126 -0.557 3.337 6.332 1.00 0.00 H new ATOM 0 HA LEU A 126 0.319 0.712 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.263 2.375 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.258 0.709 8.479 1.00 0.00 H new ATOM 0 HG LEU A 126 1.879 2.662 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.192 3.169 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.512 3.741 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.022 2.257 9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.719 1.170 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.570 0.180 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.425 0.283 6.694 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.663 0.969 7.274 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.890 0.234 7.560 1.00 0.00 C ATOM 1938 C ASN A 127 -4.218 -0.737 6.430 1.00 0.00 C ATOM 1939 O ASN A 127 -4.673 -1.855 6.671 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.054 1.205 7.767 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.200 1.633 9.214 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.574 2.750 9.567 1.00 0.00 O flip ATOM 1943 ND2 ASN A 127 -5.867 0.967 10.006 1.00 0.00 N flip ATOM 0 H ASN A 127 -2.705 1.963 7.499 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.736 -0.339 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.903 2.086 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.979 0.734 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.331 0.115 9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -5.955 1.267 10.977 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.983 -0.302 5.196 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.251 -1.133 4.029 1.00 0.00 C ATOM 1952 C ALA A 128 -3.299 -2.323 3.973 1.00 0.00 C ATOM 1953 O ALA A 128 -3.729 -3.470 3.842 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.141 -0.307 2.756 1.00 0.00 C ATOM 0 H ALA A 128 -3.608 0.621 4.979 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.268 -1.517 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.344 -0.941 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.865 0.507 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.135 0.105 2.675 1.00 0.00 H new ATOM 1960 N THR A 129 -2.003 -2.044 4.072 1.00 0.00 N ATOM 1961 CA THR A 129 -0.991 -3.092 4.030 1.00 0.00 C ATOM 1962 C THR A 129 -1.264 -4.163 5.080 1.00 0.00 C ATOM 1963 O THR A 129 -0.962 -5.338 4.873 1.00 0.00 O ATOM 1964 CB THR A 129 0.421 -2.517 4.255 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.469 -1.808 5.498 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.813 -1.586 3.118 1.00 0.00 C ATOM 0 H THR A 129 -1.630 -1.101 4.182 1.00 0.00 H new ATOM 0 HA THR A 129 -1.040 -3.540 3.037 1.00 0.00 H new ATOM 0 HB THR A 129 1.127 -3.347 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.365 -1.310 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.813 -1.192 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.804 -2.137 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.103 -0.761 3.062 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.838 -3.749 6.205 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.152 -4.675 7.287 1.00 0.00 C ATOM 1976 C GLU A 130 -3.379 -5.515 6.945 1.00 0.00 C ATOM 1977 O GLU A 130 -3.487 -6.670 7.356 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.391 -3.910 8.590 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.163 -3.169 9.094 1.00 0.00 C ATOM 1980 CD GLU A 130 -1.309 -2.711 10.533 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.236 -3.567 11.439 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -1.494 -1.496 10.752 1.00 0.00 O ATOM 0 H GLU A 130 -2.095 -2.780 6.391 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.301 -5.343 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.200 -3.195 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.723 -4.610 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.291 -3.818 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.979 -2.303 8.458 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.301 -4.926 6.192 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.521 -5.619 5.796 1.00 0.00 C ATOM 1991 C TRP A 131 -5.264 -6.536 4.605 1.00 0.00 C ATOM 1992 O TRP A 131 -6.071 -7.414 4.300 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.617 -4.609 5.450 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.914 -5.249 5.061 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -9.035 -5.364 5.833 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -8.224 -5.865 3.806 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -10.023 -6.014 5.133 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.551 -6.331 3.887 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.510 -6.066 2.622 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -10.175 -6.986 2.828 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -8.131 -6.716 1.572 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.453 -7.169 1.680 1.00 0.00 C ATOM 0 H TRP A 131 -4.227 -3.970 5.844 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.851 -6.229 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.785 -3.958 6.308 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.273 -3.976 4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.131 -4.998 6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.957 -6.226 5.485 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.491 -5.720 2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -11.193 -7.337 2.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.588 -6.878 0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.911 -7.672 0.841 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.135 -6.326 3.935 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.772 -7.136 2.778 1.00 0.00 C ATOM 2015 C VAL A 132 -3.148 -8.459 3.207 1.00 0.00 C ATOM 2016 O VAL A 132 -3.707 -9.528 2.962 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.786 -6.390 1.859 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.232 -7.328 0.797 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.460 -5.186 1.220 1.00 0.00 C ATOM 0 H VAL A 132 -3.457 -5.603 4.173 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.692 -7.334 2.228 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.953 -6.032 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.537 -6.784 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.710 -8.155 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.051 -7.719 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.749 -4.671 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.313 -5.518 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.802 -4.505 1.999 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.987 -8.379 3.849 1.00 0.00 N ATOM 2030 CA ARG A 133 -1.287 -9.571 4.313 1.00 0.00 C ATOM 2031 C ARG A 133 -2.263 -10.573 4.922 1.00 0.00 C ATOM 2032 O ARG A 133 -1.987 -11.771 4.972 1.00 0.00 O ATOM 2033 CB ARG A 133 -0.218 -9.193 5.340 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.775 -8.487 6.566 1.00 0.00 C ATOM 2035 CD ARG A 133 0.286 -8.323 7.643 1.00 0.00 C ATOM 2036 NE ARG A 133 1.154 -7.177 7.386 1.00 0.00 N ATOM 2037 CZ ARG A 133 1.935 -6.626 8.308 1.00 0.00 C ATOM 2038 NH1 ARG A 133 1.957 -7.113 9.541 1.00 0.00 N ATOM 2039 NH2 ARG A 133 2.697 -5.585 7.998 1.00 0.00 N ATOM 0 H ARG A 133 -1.511 -7.502 4.060 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.806 -10.037 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.305 -10.095 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.520 -8.548 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.160 -7.508 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.615 -9.056 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.197 -8.202 8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.889 -9.229 7.699 1.00 0.00 H new ATOM 0 HE ARG A 133 1.161 -6.778 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.373 -7.913 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.558 -6.687 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.683 -5.207 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.296 -5.163 8.707 1.00 0.00 H new ATOM 2053 N GLU A 134 -3.405 -10.072 5.385 1.00 0.00 N ATOM 2054 CA GLU A 134 -4.420 -10.924 5.992 1.00 0.00 C ATOM 2055 C GLU A 134 -5.294 -11.576 4.924 1.00 0.00 C ATOM 2056 O GLU A 134 -5.269 -12.794 4.744 1.00 0.00 O ATOM 2057 CB GLU A 134 -5.291 -10.112 6.953 1.00 0.00 C ATOM 2058 CG GLU A 134 -4.656 -9.897 8.317 1.00 0.00 C ATOM 2059 CD GLU A 134 -4.276 -11.198 8.995 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -3.214 -11.759 8.653 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -5.042 -11.656 9.869 1.00 0.00 O ATOM 0 H GLU A 134 -3.649 -9.082 5.351 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.911 -11.710 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -5.505 -9.142 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -6.246 -10.621 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.767 -9.276 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.350 -9.349 8.954 1.00 0.00 H new ATOM 2068 N HIS A 135 -6.066 -10.756 4.219 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.948 -11.251 3.168 1.00 0.00 C ATOM 2070 C HIS A 135 -6.151 -11.970 2.083 1.00 0.00 C ATOM 2071 O HIS A 135 -6.481 -13.091 1.696 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.742 -10.098 2.553 1.00 0.00 C ATOM 2073 CG HIS A 135 -9.045 -9.834 3.243 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -10.265 -10.193 2.710 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -9.315 -9.245 4.431 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -11.229 -9.833 3.539 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -10.678 -9.256 4.592 1.00 0.00 N ATOM 0 H HIS A 135 -6.099 -9.746 4.356 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.642 -11.962 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -7.135 -9.193 2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.934 -10.319 1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -8.592 -8.841 5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -12.287 -9.985 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -11.183 -8.880 5.394 1.00 0.00 H new ATOM 2086 N ALA A 136 -5.100 -11.317 1.597 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.256 -11.895 0.559 1.00 0.00 C ATOM 2088 C ALA A 136 -4.163 -13.410 0.706 1.00 0.00 C ATOM 2089 O ALA A 136 -4.718 -14.156 -0.101 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.868 -11.272 0.601 1.00 0.00 C ATOM 0 H ALA A 136 -4.813 -10.388 1.906 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.711 -11.678 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.248 -11.713 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.947 -10.197 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.414 -11.460 1.574 1.00 0.00 H new ATOM 2096 N SER A 137 -3.458 -13.857 1.740 1.00 0.00 N ATOM 2097 CA SER A 137 -3.289 -15.284 1.990 1.00 0.00 C ATOM 2098 C SER A 137 -4.598 -16.034 1.759 1.00 0.00 C ATOM 2099 O SER A 137 -4.602 -17.157 1.256 1.00 0.00 O ATOM 2100 CB SER A 137 -2.799 -15.518 3.420 1.00 0.00 C ATOM 2101 OG SER A 137 -3.676 -14.927 4.363 1.00 0.00 O ATOM 0 H SER A 137 -2.995 -13.252 2.418 1.00 0.00 H new ATOM 0 HA SER A 137 -2.544 -15.665 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.723 -16.588 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.799 -15.101 3.538 1.00 0.00 H new ATOM 0 HG SER A 137 -4.020 -14.082 4.005 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.708 -15.404 2.131 1.00 0.00 N ATOM 2108 CA GLY A 138 -7.007 -16.027 1.958 1.00 0.00 C ATOM 2109 C GLY A 138 -7.326 -16.308 0.503 1.00 0.00 C ATOM 2110 O GLY A 138 -7.707 -17.424 0.148 1.00 0.00 O ATOM 0 H GLY A 138 -5.731 -14.474 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.037 -16.960 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.776 -15.378 2.377 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.171 -15.294 -0.342 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.449 -15.437 -1.766 1.00 0.00 C ATOM 2116 C TYR A 139 -6.514 -16.461 -2.403 1.00 0.00 C ATOM 2117 O TYR A 139 -6.945 -17.311 -3.182 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.305 -14.088 -2.473 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.389 -13.098 -2.115 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.672 -13.224 -2.635 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -8.132 -12.035 -1.257 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.666 -12.321 -2.311 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.121 -11.129 -0.926 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.386 -11.275 -1.456 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.373 -10.374 -1.131 1.00 0.00 O ATOM 0 H TYR A 139 -6.854 -14.365 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.474 -15.790 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.335 -13.658 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.314 -14.250 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.896 -14.042 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.142 -11.915 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.657 -12.433 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.905 -10.310 -0.256 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.012 -9.700 -0.518 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.232 -16.372 -2.066 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.235 -17.290 -2.603 1.00 0.00 C ATOM 2137 C VAL A 140 -4.750 -18.725 -2.597 1.00 0.00 C ATOM 2138 O VAL A 140 -4.995 -19.303 -1.539 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.922 -17.225 -1.800 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.910 -18.220 -2.349 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.356 -15.813 -1.819 1.00 0.00 C ATOM 0 H VAL A 140 -4.859 -15.673 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.040 -16.981 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.136 -17.493 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.989 -18.160 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.317 -19.229 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.698 -17.985 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.429 -15.785 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.157 -15.515 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.077 -15.126 -1.375 1.00 0.00 H new