USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 85 GLN : amide:sc= -0.0693 K(o=0.73,f=0.01) USER MOD Set 1.2: A 89 SER OG : rot 77:sc= 0.795 USER MOD Set 2.1: A 67 TYR OH : rot 30:sc= -2.84! USER MOD Set 2.2: A 87 MET CE :methyl 142:sc= -0.535 (180deg=-3.12) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -149:sc= -1.71! (180deg=-3.05!) USER MOD Set 3.2: A 65 ASN : amide:sc= 1.15 K(o=-0.56,f=-12!) USER MOD Single : A 17 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.4!) USER MOD Single : A 21 TYR OH : rot -106:sc= 1.29 USER MOD Single : A 22 GLN : amide:sc= 0.153 K(o=0.15,f=-3!) USER MOD Single : A 23 GLN : amide:sc= -4.21! C(o=-4.2!,f=-4.3!) USER MOD Single : A 30 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.8!) USER MOD Single : A 33 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.028) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0118 F(o=-1.1,f=-0.012) USER MOD Single : A 38 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.29) USER MOD Single : A 40 HIS : no HE2:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 43 SER OG : rot 95:sc= 0.881 USER MOD Single : A 44 ASN : amide:sc= -1.41 K(o=-1.4,f=-9.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 56 MET CE :methyl 147:sc= -0.611 (180deg=-2.7!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.775 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 164:sc= 0.553 USER MOD Single : A 84 ASN : amide:sc= 1.01 K(o=1,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.808 -5.398 -0.298 1.00 32.13 N ATOM 52 CA HIS A 17 -4.558 -6.082 0.994 1.00 11.31 C ATOM 53 C HIS A 17 -3.531 -7.174 0.967 1.00 34.34 C ATOM 54 O HIS A 17 -3.048 -7.592 1.993 1.00 33.22 O ATOM 55 CB HIS A 17 -5.773 -6.368 1.845 1.00 24.25 C ATOM 56 CG HIS A 17 -6.100 -5.247 2.772 1.00 15.14 C ATOM 57 ND1 HIS A 17 -5.623 -5.163 4.061 1.00 25.55 N ATOM 58 CD2 HIS A 17 -6.865 -4.148 2.584 1.00 13.12 C ATOM 59 CE1 HIS A 17 -6.105 -4.049 4.608 1.00 64.45 C ATOM 60 NE2 HIS A 17 -6.871 -3.391 3.747 1.00 71.33 N ATOM 0 HA HIS A 17 -4.060 -5.293 1.557 1.00 11.31 H new ATOM 0 HB2 HIS A 17 -6.628 -6.561 1.198 1.00 24.25 H new ATOM 0 HB3 HIS A 17 -5.601 -7.275 2.424 1.00 24.25 H new ATOM 0 HD1 HIS A 17 -5.008 -5.837 4.517 1.00 25.55 H new ATOM 0 HD2 HIS A 17 -7.389 -3.899 1.673 1.00 13.12 H new ATOM 0 HE1 HIS A 17 -5.900 -3.724 5.617 1.00 64.45 H new ATOM 68 N ALA A 18 -3.220 -7.661 -0.220 1.00 13.11 N ATOM 69 CA ALA A 18 -2.039 -8.510 -0.434 1.00 1.21 C ATOM 70 C ALA A 18 -0.769 -7.825 0.128 1.00 33.13 C ATOM 71 O ALA A 18 0.239 -8.432 0.279 1.00 4.35 O ATOM 72 CB ALA A 18 -1.878 -8.844 -1.888 1.00 4.25 C ATOM 0 H ALA A 18 -3.767 -7.487 -1.063 1.00 13.11 H new ATOM 0 HA ALA A 18 -2.185 -9.445 0.106 1.00 1.21 H new ATOM 0 HB1 ALA A 18 -0.998 -9.473 -2.022 1.00 4.25 H new ATOM 0 HB2 ALA A 18 -2.762 -9.377 -2.239 1.00 4.25 H new ATOM 0 HB3 ALA A 18 -1.758 -7.925 -2.461 1.00 4.25 H new ATOM 78 N ALA A 19 -0.849 -6.524 0.371 1.00 34.21 N ATOM 79 CA ALA A 19 0.173 -5.771 1.079 1.00 65.01 C ATOM 80 C ALA A 19 0.409 -6.365 2.480 1.00 14.52 C ATOM 81 O ALA A 19 1.478 -6.218 3.041 1.00 34.22 O ATOM 82 CB ALA A 19 -0.245 -4.303 1.170 1.00 64.54 C ATOM 0 H ALA A 19 -1.641 -5.953 0.076 1.00 34.21 H new ATOM 0 HA ALA A 19 1.112 -5.835 0.529 1.00 65.01 H new ATOM 0 HB1 ALA A 19 0.522 -3.739 1.701 1.00 64.54 H new ATOM 0 HB2 ALA A 19 -0.365 -3.896 0.166 1.00 64.54 H new ATOM 0 HB3 ALA A 19 -1.190 -4.226 1.708 1.00 64.54 H new ATOM 88 N ASP A 20 -0.598 -7.058 3.013 1.00 35.21 N ATOM 89 CA ASP A 20 -0.482 -7.777 4.280 1.00 53.52 C ATOM 90 C ASP A 20 0.453 -8.965 4.150 1.00 40.10 C ATOM 91 O ASP A 20 0.912 -9.495 5.146 1.00 0.03 O ATOM 92 CB ASP A 20 -1.840 -8.220 4.871 1.00 50.44 C ATOM 93 CG ASP A 20 -2.597 -7.120 5.592 1.00 42.32 C ATOM 94 OD1 ASP A 20 -2.062 -6.590 6.599 1.00 40.13 O ATOM 95 OD2 ASP A 20 -3.750 -6.794 5.178 1.00 70.20 O ATOM 0 H ASP A 20 -1.517 -7.136 2.577 1.00 35.21 H new ATOM 0 HA ASP A 20 -0.059 -7.062 4.986 1.00 53.52 H new ATOM 0 HB2 ASP A 20 -2.464 -8.607 4.066 1.00 50.44 H new ATOM 0 HB3 ASP A 20 -1.670 -9.043 5.565 1.00 50.44 H new ATOM 100 N TYR A 21 0.721 -9.394 2.893 1.00 32.32 N ATOM 101 CA TYR A 21 1.704 -10.481 2.596 1.00 21.55 C ATOM 102 C TYR A 21 3.019 -10.127 3.230 1.00 22.32 C ATOM 103 O TYR A 21 3.707 -10.983 3.763 1.00 64.05 O ATOM 104 CB TYR A 21 1.901 -10.639 1.062 1.00 30.14 C ATOM 105 CG TYR A 21 3.032 -11.561 0.583 1.00 62.12 C ATOM 106 CD1 TYR A 21 4.358 -11.124 0.535 1.00 45.02 C ATOM 107 CD2 TYR A 21 2.768 -12.838 0.136 1.00 63.35 C ATOM 108 CE1 TYR A 21 5.355 -11.926 0.073 1.00 44.21 C ATOM 109 CE2 TYR A 21 3.788 -13.657 -0.331 1.00 42.22 C ATOM 110 CZ TYR A 21 5.079 -13.185 -0.355 1.00 21.23 C ATOM 111 OH TYR A 21 6.105 -13.972 -0.804 1.00 74.43 O ATOM 0 H TYR A 21 0.273 -9.007 2.063 1.00 32.32 H new ATOM 0 HA TYR A 21 1.327 -11.422 2.996 1.00 21.55 H new ATOM 0 HB2 TYR A 21 0.966 -11.006 0.639 1.00 30.14 H new ATOM 0 HB3 TYR A 21 2.074 -9.648 0.641 1.00 30.14 H new ATOM 0 HD1 TYR A 21 4.597 -10.126 0.872 1.00 45.02 H new ATOM 0 HD2 TYR A 21 1.753 -13.207 0.149 1.00 63.35 H new ATOM 0 HE1 TYR A 21 6.371 -11.560 0.046 1.00 44.21 H new ATOM 0 HE2 TYR A 21 3.568 -14.658 -0.673 1.00 42.22 H new ATOM 0 HH TYR A 21 6.057 -14.047 -1.780 1.00 74.43 H new ATOM 121 N GLN A 22 3.331 -8.845 3.166 1.00 60.23 N ATOM 122 CA GLN A 22 4.545 -8.285 3.753 1.00 61.11 C ATOM 123 C GLN A 22 4.616 -8.656 5.247 1.00 12.05 C ATOM 124 O GLN A 22 5.572 -9.274 5.703 1.00 12.14 O ATOM 125 CB GLN A 22 4.532 -6.752 3.565 1.00 23.23 C ATOM 126 CG GLN A 22 5.698 -6.006 4.201 1.00 15.31 C ATOM 127 CD GLN A 22 7.044 -6.319 3.573 1.00 14.33 C ATOM 128 OE1 GLN A 22 7.153 -6.616 2.372 1.00 2.01 O ATOM 129 NE2 GLN A 22 8.069 -6.269 4.368 1.00 14.13 N ATOM 0 H GLN A 22 2.745 -8.152 2.701 1.00 60.23 H new ATOM 0 HA GLN A 22 5.426 -8.694 3.258 1.00 61.11 H new ATOM 0 HB2 GLN A 22 4.522 -6.534 2.497 1.00 23.23 H new ATOM 0 HB3 GLN A 22 3.603 -6.360 3.979 1.00 23.23 H new ATOM 0 HG2 GLN A 22 5.514 -4.934 4.128 1.00 15.31 H new ATOM 0 HG3 GLN A 22 5.738 -6.251 5.262 1.00 15.31 H new ATOM 0 HE21 GLN A 22 7.942 -6.021 5.349 1.00 14.13 H new ATOM 0 HE22 GLN A 22 9.002 -6.477 4.011 1.00 14.13 H new ATOM 138 N GLN A 23 3.555 -8.332 5.967 1.00 65.31 N ATOM 139 CA GLN A 23 3.475 -8.630 7.409 1.00 21.14 C ATOM 140 C GLN A 23 3.407 -10.151 7.646 1.00 2.25 C ATOM 141 O GLN A 23 4.054 -10.687 8.560 1.00 74.13 O ATOM 142 CB GLN A 23 2.231 -7.981 8.083 1.00 74.24 C ATOM 143 CG GLN A 23 2.136 -6.445 8.096 1.00 41.30 C ATOM 144 CD GLN A 23 1.927 -5.814 6.730 1.00 73.20 C ATOM 145 OE1 GLN A 23 2.876 -5.470 6.049 1.00 53.24 O ATOM 146 NE2 GLN A 23 0.693 -5.676 6.312 1.00 63.04 N ATOM 0 H GLN A 23 2.732 -7.863 5.588 1.00 65.31 H new ATOM 0 HA GLN A 23 4.376 -8.210 7.856 1.00 21.14 H new ATOM 0 HB2 GLN A 23 1.342 -8.366 7.584 1.00 74.24 H new ATOM 0 HB3 GLN A 23 2.192 -8.327 9.116 1.00 74.24 H new ATOM 0 HG2 GLN A 23 1.314 -6.150 8.748 1.00 41.30 H new ATOM 0 HG3 GLN A 23 3.049 -6.041 8.533 1.00 41.30 H new ATOM 0 HE21 GLN A 23 -0.082 -5.973 6.904 1.00 63.04 H new ATOM 0 HE22 GLN A 23 0.508 -5.271 5.394 1.00 63.04 H new ATOM 155 N LEU A 24 2.597 -10.818 6.831 1.00 64.23 N ATOM 156 CA LEU A 24 2.374 -12.260 6.895 1.00 22.53 C ATOM 157 C LEU A 24 3.667 -13.021 6.809 1.00 3.03 C ATOM 158 O LEU A 24 3.985 -13.797 7.696 1.00 31.03 O ATOM 159 CB LEU A 24 1.436 -12.700 5.762 1.00 31.41 C ATOM 160 CG LEU A 24 1.149 -14.200 5.662 1.00 22.32 C ATOM 161 CD1 LEU A 24 0.404 -14.707 6.878 1.00 63.25 C ATOM 162 CD2 LEU A 24 0.384 -14.518 4.403 1.00 53.32 C ATOM 0 H LEU A 24 2.065 -10.362 6.090 1.00 64.23 H new ATOM 0 HA LEU A 24 1.913 -12.483 7.857 1.00 22.53 H new ATOM 0 HB2 LEU A 24 0.487 -12.178 5.882 1.00 31.41 H new ATOM 0 HB3 LEU A 24 1.865 -12.370 4.816 1.00 31.41 H new ATOM 0 HG LEU A 24 2.110 -14.713 5.622 1.00 22.32 H new ATOM 0 HD11 LEU A 24 0.218 -15.776 6.771 1.00 63.25 H new ATOM 0 HD12 LEU A 24 1.003 -14.530 7.771 1.00 63.25 H new ATOM 0 HD13 LEU A 24 -0.546 -14.181 6.968 1.00 63.25 H new ATOM 0 HD21 LEU A 24 0.192 -15.590 4.355 1.00 53.32 H new ATOM 0 HD22 LEU A 24 -0.564 -13.980 4.407 1.00 53.32 H new ATOM 0 HD23 LEU A 24 0.970 -14.215 3.535 1.00 53.32 H new ATOM 174 N ARG A 25 4.409 -12.758 5.762 1.00 35.01 N ATOM 175 CA ARG A 25 5.641 -13.427 5.465 1.00 12.52 C ATOM 176 C ARG A 25 6.618 -13.280 6.625 1.00 24.34 C ATOM 177 O ARG A 25 7.096 -14.283 7.175 1.00 63.34 O ATOM 178 CB ARG A 25 6.204 -12.809 4.206 1.00 43.44 C ATOM 179 CG ARG A 25 7.369 -13.525 3.605 1.00 55.41 C ATOM 180 CD ARG A 25 7.906 -12.727 2.435 1.00 70.20 C ATOM 181 NE ARG A 25 8.306 -11.384 2.860 1.00 41.35 N ATOM 182 CZ ARG A 25 8.240 -10.295 2.112 1.00 51.51 C ATOM 183 NH1 ARG A 25 8.093 -10.392 0.786 1.00 51.10 N ATOM 184 NH2 ARG A 25 8.379 -9.120 2.674 1.00 0.00 N ATOM 0 H ARG A 25 4.159 -12.048 5.073 1.00 35.01 H new ATOM 0 HA ARG A 25 5.472 -14.494 5.316 1.00 12.52 H new ATOM 0 HB2 ARG A 25 5.409 -12.755 3.462 1.00 43.44 H new ATOM 0 HB3 ARG A 25 6.504 -11.785 4.427 1.00 43.44 H new ATOM 0 HG2 ARG A 25 8.150 -13.663 4.353 1.00 55.41 H new ATOM 0 HG3 ARG A 25 7.067 -14.518 3.273 1.00 55.41 H new ATOM 0 HD2 ARG A 25 8.760 -13.244 1.998 1.00 70.20 H new ATOM 0 HD3 ARG A 25 7.145 -12.656 1.658 1.00 70.20 H new ATOM 0 HE ARG A 25 8.664 -11.280 3.809 1.00 41.35 H new ATOM 0 HH11 ARG A 25 8.031 -11.310 0.346 1.00 51.10 H new ATOM 0 HH12 ARG A 25 8.043 -9.548 0.215 1.00 51.10 H new ATOM 0 HH21 ARG A 25 8.536 -9.051 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.330 -8.274 2.106 1.00 0.00 H new ATOM 198 N GLU A 26 6.840 -12.044 7.036 1.00 42.15 N ATOM 199 CA GLU A 26 7.747 -11.736 8.118 1.00 73.20 C ATOM 200 C GLU A 26 7.367 -12.375 9.443 1.00 11.33 C ATOM 201 O GLU A 26 8.232 -12.858 10.183 1.00 61.23 O ATOM 202 CB GLU A 26 7.969 -10.241 8.254 1.00 22.21 C ATOM 203 CG GLU A 26 9.146 -9.747 7.411 1.00 54.25 C ATOM 204 CD GLU A 26 8.975 -9.897 5.908 1.00 63.31 C ATOM 205 OE1 GLU A 26 9.051 -11.027 5.381 1.00 20.33 O ATOM 206 OE2 GLU A 26 8.779 -8.884 5.229 1.00 2.40 O ATOM 0 H GLU A 26 6.392 -11.225 6.624 1.00 42.15 H new ATOM 0 HA GLU A 26 8.697 -12.193 7.841 1.00 73.20 H new ATOM 0 HB2 GLU A 26 7.064 -9.713 7.954 1.00 22.21 H new ATOM 0 HB3 GLU A 26 8.148 -9.997 9.301 1.00 22.21 H new ATOM 0 HG2 GLU A 26 9.318 -8.695 7.638 1.00 54.25 H new ATOM 0 HG3 GLU A 26 10.042 -10.289 7.714 1.00 54.25 H new ATOM 213 N ARG A 27 6.088 -12.421 9.753 1.00 63.03 N ATOM 214 CA ARG A 27 5.701 -13.036 10.970 1.00 62.23 C ATOM 215 C ARG A 27 5.668 -14.565 10.848 1.00 61.04 C ATOM 216 O ARG A 27 5.850 -15.265 11.837 1.00 62.42 O ATOM 217 CB ARG A 27 4.406 -12.509 11.497 1.00 60.12 C ATOM 218 CG ARG A 27 4.207 -13.004 12.899 1.00 0.44 C ATOM 219 CD ARG A 27 2.948 -12.542 13.512 1.00 60.04 C ATOM 220 NE ARG A 27 2.780 -13.122 14.868 1.00 21.13 N ATOM 221 CZ ARG A 27 2.538 -14.438 15.131 1.00 13.13 C ATOM 222 NH1 ARG A 27 2.292 -15.287 14.153 1.00 53.21 N ATOM 223 NH2 ARG A 27 2.525 -14.893 16.380 1.00 42.20 N ATOM 0 H ARG A 27 5.328 -12.046 9.185 1.00 63.03 H new ATOM 0 HA ARG A 27 6.468 -12.774 11.699 1.00 62.23 H new ATOM 0 HB2 ARG A 27 4.409 -11.419 11.480 1.00 60.12 H new ATOM 0 HB3 ARG A 27 3.582 -12.835 10.863 1.00 60.12 H new ATOM 0 HG2 ARG A 27 4.222 -14.094 12.897 1.00 0.44 H new ATOM 0 HG3 ARG A 27 5.044 -12.675 13.515 1.00 0.44 H new ATOM 0 HD2 ARG A 27 2.946 -11.454 13.574 1.00 60.04 H new ATOM 0 HD3 ARG A 27 2.105 -12.827 12.882 1.00 60.04 H new ATOM 0 HE ARG A 27 2.851 -12.488 15.664 1.00 21.13 H new ATOM 0 HH11 ARG A 27 2.281 -14.962 13.186 1.00 53.21 H new ATOM 0 HH12 ARG A 27 2.113 -16.269 14.363 1.00 53.21 H new ATOM 0 HH21 ARG A 27 2.697 -14.255 17.157 1.00 42.20 H new ATOM 0 HH22 ARG A 27 2.343 -15.880 16.561 1.00 42.20 H new ATOM 237 N LEU A 28 5.465 -15.082 9.636 1.00 41.33 N ATOM 238 CA LEU A 28 5.485 -16.533 9.402 1.00 61.51 C ATOM 239 C LEU A 28 6.856 -17.057 9.700 1.00 61.51 C ATOM 240 O LEU A 28 7.005 -18.106 10.310 1.00 1.04 O ATOM 241 CB LEU A 28 5.094 -16.903 7.962 1.00 44.10 C ATOM 242 CG LEU A 28 3.606 -16.856 7.608 1.00 34.11 C ATOM 243 CD1 LEU A 28 3.426 -17.021 6.130 1.00 61.45 C ATOM 244 CD2 LEU A 28 2.861 -17.965 8.298 1.00 44.01 C ATOM 0 H LEU A 28 5.285 -14.523 8.802 1.00 41.33 H new ATOM 0 HA LEU A 28 4.746 -16.986 10.063 1.00 61.51 H new ATOM 0 HB2 LEU A 28 5.624 -16.233 7.285 1.00 44.10 H new ATOM 0 HB3 LEU A 28 5.457 -17.911 7.762 1.00 44.10 H new ATOM 0 HG LEU A 28 3.215 -15.892 7.933 1.00 34.11 H new ATOM 0 HD11 LEU A 28 2.364 -16.986 5.887 1.00 61.45 H new ATOM 0 HD12 LEU A 28 3.944 -16.216 5.608 1.00 61.45 H new ATOM 0 HD13 LEU A 28 3.839 -17.980 5.818 1.00 61.45 H new ATOM 0 HD21 LEU A 28 1.805 -17.914 8.033 1.00 44.01 H new ATOM 0 HD22 LEU A 28 3.268 -18.927 7.984 1.00 44.01 H new ATOM 0 HD23 LEU A 28 2.970 -17.860 9.377 1.00 44.01 H new ATOM 256 N ILE A 29 7.842 -16.292 9.290 1.00 53.23 N ATOM 257 CA ILE A 29 9.235 -16.576 9.557 1.00 43.13 C ATOM 258 C ILE A 29 9.440 -16.867 11.053 1.00 20.43 C ATOM 259 O ILE A 29 9.913 -17.933 11.428 1.00 30.24 O ATOM 260 CB ILE A 29 10.097 -15.367 9.094 1.00 65.31 C ATOM 261 CG1 ILE A 29 10.093 -15.272 7.558 1.00 1.02 C ATOM 262 CG2 ILE A 29 11.505 -15.426 9.644 1.00 2.44 C ATOM 263 CD1 ILE A 29 10.829 -14.071 7.005 1.00 74.02 C ATOM 0 H ILE A 29 7.696 -15.438 8.751 1.00 53.23 H new ATOM 0 HA ILE A 29 9.546 -17.462 9.003 1.00 43.13 H new ATOM 0 HB ILE A 29 9.648 -14.460 9.499 1.00 65.31 H new ATOM 0 HG12 ILE A 29 10.541 -16.178 7.149 1.00 1.02 H new ATOM 0 HG13 ILE A 29 9.060 -15.242 7.210 1.00 1.02 H new ATOM 0 HG21 ILE A 29 12.069 -14.561 9.294 1.00 2.44 H new ATOM 0 HG22 ILE A 29 11.471 -15.420 10.733 1.00 2.44 H new ATOM 0 HG23 ILE A 29 11.991 -16.339 9.302 1.00 2.44 H new ATOM 0 HD11 ILE A 29 10.777 -14.082 5.916 1.00 74.02 H new ATOM 0 HD12 ILE A 29 10.369 -13.157 7.381 1.00 74.02 H new ATOM 0 HD13 ILE A 29 11.872 -14.108 7.319 1.00 74.02 H new ATOM 275 N GLN A 30 8.976 -15.966 11.882 1.00 31.02 N ATOM 276 CA GLN A 30 9.126 -16.100 13.315 1.00 21.32 C ATOM 277 C GLN A 30 8.178 -17.158 13.918 1.00 75.25 C ATOM 278 O GLN A 30 8.551 -17.875 14.832 1.00 70.03 O ATOM 279 CB GLN A 30 8.926 -14.752 13.984 1.00 34.15 C ATOM 280 CG GLN A 30 9.964 -13.713 13.590 1.00 64.42 C ATOM 281 CD GLN A 30 11.387 -14.169 13.861 1.00 75.33 C ATOM 282 OE1 GLN A 30 12.032 -14.752 13.015 1.00 2.21 O ATOM 283 NE2 GLN A 30 11.875 -13.913 15.045 1.00 70.52 N ATOM 0 H GLN A 30 8.485 -15.122 11.588 1.00 31.02 H new ATOM 0 HA GLN A 30 10.140 -16.452 13.505 1.00 21.32 H new ATOM 0 HB2 GLN A 30 7.935 -14.375 13.733 1.00 34.15 H new ATOM 0 HB3 GLN A 30 8.951 -14.886 15.065 1.00 34.15 H new ATOM 0 HG2 GLN A 30 9.857 -13.483 12.530 1.00 64.42 H new ATOM 0 HG3 GLN A 30 9.773 -12.790 14.137 1.00 64.42 H new ATOM 0 HE21 GLN A 30 11.308 -13.421 15.735 1.00 70.52 H new ATOM 0 HE22 GLN A 30 12.824 -14.205 15.280 1.00 70.52 H new ATOM 292 N GLU A 31 6.966 -17.249 13.381 1.00 2.11 N ATOM 293 CA GLU A 31 5.934 -18.186 13.869 1.00 23.35 C ATOM 294 C GLU A 31 6.369 -19.648 13.681 1.00 14.33 C ATOM 295 O GLU A 31 6.185 -20.480 14.571 1.00 13.31 O ATOM 296 CB GLU A 31 4.602 -17.915 13.129 1.00 4.21 C ATOM 297 CG GLU A 31 3.417 -18.821 13.497 1.00 34.42 C ATOM 298 CD GLU A 31 2.928 -18.675 14.930 1.00 3.01 C ATOM 299 OE1 GLU A 31 2.221 -17.676 15.234 1.00 15.21 O ATOM 300 OE2 GLU A 31 3.156 -19.593 15.748 1.00 21.55 O ATOM 0 H GLU A 31 6.661 -16.678 12.593 1.00 2.11 H new ATOM 0 HA GLU A 31 5.795 -18.023 14.938 1.00 23.35 H new ATOM 0 HB2 GLU A 31 4.312 -16.881 13.316 1.00 4.21 H new ATOM 0 HB3 GLU A 31 4.782 -18.007 12.058 1.00 4.21 H new ATOM 0 HG2 GLU A 31 2.589 -18.606 12.821 1.00 34.42 H new ATOM 0 HG3 GLU A 31 3.705 -19.859 13.329 1.00 34.42 H new ATOM 307 N LEU A 32 6.954 -19.947 12.530 1.00 52.51 N ATOM 308 CA LEU A 32 7.386 -21.310 12.216 1.00 15.55 C ATOM 309 C LEU A 32 8.802 -21.573 12.704 1.00 23.14 C ATOM 310 O LEU A 32 9.286 -22.699 12.605 1.00 41.30 O ATOM 311 CB LEU A 32 7.331 -21.605 10.700 1.00 70.11 C ATOM 312 CG LEU A 32 5.957 -21.749 10.005 1.00 5.32 C ATOM 313 CD1 LEU A 32 5.154 -20.473 10.033 1.00 23.43 C ATOM 314 CD2 LEU A 32 6.163 -22.188 8.580 1.00 51.42 C ATOM 0 H LEU A 32 7.143 -19.266 11.794 1.00 52.51 H new ATOM 0 HA LEU A 32 6.689 -21.969 12.733 1.00 15.55 H new ATOM 0 HB2 LEU A 32 7.873 -20.808 10.192 1.00 70.11 H new ATOM 0 HB3 LEU A 32 7.884 -22.528 10.526 1.00 70.11 H new ATOM 0 HG LEU A 32 5.388 -22.497 10.558 1.00 5.32 H new ATOM 0 HD11 LEU A 32 4.200 -20.633 9.531 1.00 23.43 H new ATOM 0 HD12 LEU A 32 4.975 -20.178 11.067 1.00 23.43 H new ATOM 0 HD13 LEU A 32 5.706 -19.685 9.521 1.00 23.43 H new ATOM 0 HD21 LEU A 32 5.196 -22.290 8.087 1.00 51.42 H new ATOM 0 HD22 LEU A 32 6.762 -21.445 8.053 1.00 51.42 H new ATOM 0 HD23 LEU A 32 6.681 -23.147 8.566 1.00 51.42 H new ATOM 326 N ASN A 33 9.454 -20.526 13.231 1.00 65.11 N ATOM 327 CA ASN A 33 10.864 -20.583 13.682 1.00 62.22 C ATOM 328 C ASN A 33 11.744 -20.887 12.450 1.00 5.43 C ATOM 329 O ASN A 33 12.689 -21.688 12.476 1.00 50.25 O ATOM 330 CB ASN A 33 11.046 -21.649 14.804 1.00 62.41 C ATOM 331 CG ASN A 33 12.377 -21.549 15.560 1.00 32.22 C ATOM 332 OD1 ASN A 33 12.477 -20.873 16.576 1.00 32.11 O ATOM 333 ND2 ASN A 33 13.395 -22.210 15.078 1.00 65.24 N ATOM 0 H ASN A 33 9.022 -19.611 13.359 1.00 65.11 H new ATOM 0 HA ASN A 33 11.164 -19.629 14.115 1.00 62.22 H new ATOM 0 HB2 ASN A 33 10.228 -21.551 15.518 1.00 62.41 H new ATOM 0 HB3 ASN A 33 10.966 -22.642 14.362 1.00 62.41 H new ATOM 0 HD21 ASN A 33 14.299 -22.170 15.550 1.00 65.24 H new ATOM 0 HD22 ASN A 33 13.287 -22.766 14.230 1.00 65.24 H new ATOM 340 N LEU A 34 11.417 -20.218 11.376 1.00 53.04 N ATOM 341 CA LEU A 34 12.094 -20.368 10.122 1.00 12.11 C ATOM 342 C LEU A 34 12.867 -19.113 9.788 1.00 63.30 C ATOM 343 O LEU A 34 12.941 -18.189 10.575 1.00 61.25 O ATOM 344 CB LEU A 34 11.104 -20.704 8.982 1.00 34.34 C ATOM 345 CG LEU A 34 10.567 -22.130 8.917 1.00 22.43 C ATOM 346 CD1 LEU A 34 9.718 -22.294 7.674 1.00 42.42 C ATOM 347 CD2 LEU A 34 11.701 -23.144 8.917 1.00 31.53 C ATOM 0 H LEU A 34 10.656 -19.540 11.352 1.00 53.04 H new ATOM 0 HA LEU A 34 12.791 -21.200 10.218 1.00 12.11 H new ATOM 0 HB2 LEU A 34 10.254 -20.027 9.064 1.00 34.34 H new ATOM 0 HB3 LEU A 34 11.595 -20.485 8.034 1.00 34.34 H new ATOM 0 HG LEU A 34 9.957 -22.312 9.802 1.00 22.43 H new ATOM 0 HD11 LEU A 34 9.334 -23.313 7.627 1.00 42.42 H new ATOM 0 HD12 LEU A 34 8.884 -21.593 7.708 1.00 42.42 H new ATOM 0 HD13 LEU A 34 10.324 -22.094 6.790 1.00 42.42 H new ATOM 0 HD21 LEU A 34 11.288 -24.152 8.870 1.00 31.53 H new ATOM 0 HD22 LEU A 34 12.341 -22.974 8.052 1.00 31.53 H new ATOM 0 HD23 LEU A 34 12.287 -23.034 9.829 1.00 31.53 H new ATOM 359 N THR A 35 13.460 -19.101 8.630 1.00 13.41 N ATOM 360 CA THR A 35 14.184 -17.968 8.157 1.00 55.53 C ATOM 361 C THR A 35 13.613 -17.616 6.782 1.00 41.33 C ATOM 362 O THR A 35 12.919 -18.457 6.189 1.00 4.25 O ATOM 363 CB THR A 35 15.703 -18.291 8.056 1.00 61.04 C ATOM 364 OG1 THR A 35 15.906 -19.427 7.212 1.00 1.34 O ATOM 365 CG2 THR A 35 16.299 -18.577 9.430 1.00 63.54 C ATOM 0 H THR A 35 13.452 -19.890 7.983 1.00 13.41 H new ATOM 0 HA THR A 35 14.081 -17.128 8.844 1.00 55.53 H new ATOM 0 HB THR A 35 16.202 -17.419 7.633 1.00 61.04 H new ATOM 0 HG1 THR A 35 16.864 -19.623 7.152 1.00 1.34 H new ATOM 0 HG21 THR A 35 17.361 -18.799 9.327 1.00 63.54 H new ATOM 0 HG22 THR A 35 16.171 -17.704 10.071 1.00 63.54 H new ATOM 0 HG23 THR A 35 15.791 -19.432 9.876 1.00 63.54 H new ATOM 373 N PRO A 36 13.885 -16.401 6.239 1.00 64.35 N ATOM 374 CA PRO A 36 13.345 -15.966 4.928 1.00 45.11 C ATOM 375 C PRO A 36 13.641 -16.946 3.774 1.00 43.31 C ATOM 376 O PRO A 36 12.893 -17.023 2.818 1.00 50.24 O ATOM 377 CB PRO A 36 14.060 -14.635 4.668 1.00 3.43 C ATOM 378 CG PRO A 36 14.441 -14.125 6.013 1.00 34.20 C ATOM 379 CD PRO A 36 14.695 -15.330 6.873 1.00 12.14 C ATOM 0 HA PRO A 36 12.257 -15.902 4.964 1.00 45.11 H new ATOM 0 HB2 PRO A 36 14.938 -14.777 4.038 1.00 3.43 H new ATOM 0 HB3 PRO A 36 13.407 -13.932 4.151 1.00 3.43 H new ATOM 0 HG2 PRO A 36 15.331 -13.498 5.952 1.00 34.20 H new ATOM 0 HG3 PRO A 36 13.646 -13.510 6.434 1.00 34.20 H new ATOM 0 HD2 PRO A 36 15.753 -15.589 6.894 1.00 12.14 H new ATOM 0 HD3 PRO A 36 14.389 -15.156 7.905 1.00 12.14 H new ATOM 387 N GLN A 37 14.715 -17.710 3.900 1.00 13.04 N ATOM 388 CA GLN A 37 15.133 -18.625 2.839 1.00 51.30 C ATOM 389 C GLN A 37 14.340 -19.929 2.907 1.00 14.02 C ATOM 390 O GLN A 37 14.206 -20.635 1.920 1.00 61.02 O ATOM 391 CB GLN A 37 16.629 -18.930 2.964 1.00 61.23 C ATOM 392 CG GLN A 37 17.223 -19.677 1.767 1.00 74.45 C ATOM 393 CD GLN A 37 18.658 -20.130 1.991 1.00 15.43 C ATOM 394 OE1 GLN A 37 18.977 -20.531 3.199 1.00 1.31 O flip ATOM 395 NE2 GLN A 37 19.454 -20.179 1.067 1.00 42.31 N flip ATOM 0 H GLN A 37 15.315 -17.718 4.724 1.00 13.04 H new ATOM 0 HA GLN A 37 14.940 -18.144 1.880 1.00 51.30 H new ATOM 0 HB2 GLN A 37 17.169 -17.992 3.096 1.00 61.23 H new ATOM 0 HB3 GLN A 37 16.793 -19.522 3.864 1.00 61.23 H new ATOM 0 HG2 GLN A 37 16.605 -20.548 1.548 1.00 74.45 H new ATOM 0 HG3 GLN A 37 17.186 -19.031 0.890 1.00 74.45 H new ATOM 0 HE21 GLN A 37 19.178 -19.860 0.138 1.00 42.31 H new ATOM 0 HE22 GLN A 37 20.395 -20.539 1.223 1.00 42.31 H new ATOM 404 N GLN A 38 13.776 -20.220 4.065 1.00 2.15 N ATOM 405 CA GLN A 38 13.084 -21.481 4.241 1.00 75.42 C ATOM 406 C GLN A 38 11.631 -21.316 3.876 1.00 62.01 C ATOM 407 O GLN A 38 10.887 -22.281 3.769 1.00 53.22 O ATOM 408 CB GLN A 38 13.182 -21.989 5.685 1.00 24.54 C ATOM 409 CG GLN A 38 14.592 -22.108 6.255 1.00 32.24 C ATOM 410 CD GLN A 38 15.546 -22.896 5.380 1.00 42.04 C ATOM 411 OE1 GLN A 38 16.241 -22.334 4.550 1.00 22.22 O ATOM 412 NE2 GLN A 38 15.578 -24.191 5.554 1.00 72.12 N ATOM 0 H GLN A 38 13.783 -19.612 4.884 1.00 2.15 H new ATOM 0 HA GLN A 38 13.561 -22.213 3.589 1.00 75.42 H new ATOM 0 HB2 GLN A 38 12.608 -21.319 6.325 1.00 24.54 H new ATOM 0 HB3 GLN A 38 12.705 -22.968 5.738 1.00 24.54 H new ATOM 0 HG2 GLN A 38 14.997 -21.108 6.407 1.00 32.24 H new ATOM 0 HG3 GLN A 38 14.538 -22.582 7.235 1.00 32.24 H new ATOM 0 HE21 GLN A 38 14.982 -24.626 6.258 1.00 72.12 H new ATOM 0 HE22 GLN A 38 16.199 -24.767 4.986 1.00 72.12 H new ATOM 421 N LEU A 39 11.235 -20.089 3.684 1.00 13.31 N ATOM 422 CA LEU A 39 9.882 -19.792 3.381 1.00 5.31 C ATOM 423 C LEU A 39 9.685 -19.242 1.991 1.00 21.22 C ATOM 424 O LEU A 39 9.468 -18.049 1.791 1.00 14.44 O ATOM 425 CB LEU A 39 9.211 -18.941 4.457 1.00 11.14 C ATOM 426 CG LEU A 39 8.625 -19.683 5.642 1.00 65.14 C ATOM 427 CD1 LEU A 39 8.110 -18.698 6.667 1.00 12.22 C ATOM 428 CD2 LEU A 39 7.500 -20.592 5.186 1.00 22.02 C ATOM 0 H LEU A 39 11.847 -19.275 3.735 1.00 13.31 H new ATOM 0 HA LEU A 39 9.365 -20.751 3.386 1.00 5.31 H new ATOM 0 HB2 LEU A 39 9.943 -18.226 4.831 1.00 11.14 H new ATOM 0 HB3 LEU A 39 8.414 -18.365 3.988 1.00 11.14 H new ATOM 0 HG LEU A 39 9.407 -20.291 6.096 1.00 65.14 H new ATOM 0 HD11 LEU A 39 7.691 -19.240 7.514 1.00 12.22 H new ATOM 0 HD12 LEU A 39 8.930 -18.067 7.010 1.00 12.22 H new ATOM 0 HD13 LEU A 39 7.337 -18.075 6.217 1.00 12.22 H new ATOM 0 HD21 LEU A 39 7.087 -21.119 6.046 1.00 22.02 H new ATOM 0 HD22 LEU A 39 6.718 -19.995 4.716 1.00 22.02 H new ATOM 0 HD23 LEU A 39 7.885 -21.315 4.467 1.00 22.02 H new ATOM 440 N HIS A 40 9.849 -20.119 1.036 1.00 50.30 N ATOM 441 CA HIS A 40 9.517 -19.846 -0.348 1.00 71.13 C ATOM 442 C HIS A 40 7.981 -19.924 -0.353 1.00 21.30 C ATOM 443 O HIS A 40 7.436 -20.823 0.307 1.00 44.02 O ATOM 444 CB HIS A 40 10.116 -20.980 -1.200 1.00 61.24 C ATOM 445 CG HIS A 40 10.472 -20.648 -2.625 1.00 53.42 C ATOM 446 ND1 HIS A 40 9.576 -20.549 -3.656 1.00 73.54 N ATOM 447 CD2 HIS A 40 11.694 -20.473 -3.188 1.00 44.03 C ATOM 448 CE1 HIS A 40 10.243 -20.348 -4.781 1.00 63.34 C ATOM 449 NE2 HIS A 40 11.546 -20.285 -4.557 1.00 4.05 N ATOM 0 H HIS A 40 10.221 -21.056 1.193 1.00 50.30 H new ATOM 0 HA HIS A 40 9.887 -18.897 -0.736 1.00 71.13 H new ATOM 0 HB2 HIS A 40 11.016 -21.340 -0.701 1.00 61.24 H new ATOM 0 HB3 HIS A 40 9.406 -21.807 -1.212 1.00 61.24 H new ATOM 0 HD1 HIS A 40 8.562 -20.619 -3.571 1.00 73.54 H new ATOM 0 HD2 HIS A 40 12.634 -20.479 -2.656 1.00 44.03 H new ATOM 0 HE1 HIS A 40 9.785 -20.248 -5.754 1.00 63.34 H new ATOM 457 N GLU A 41 7.275 -19.047 -1.043 1.00 63.12 N ATOM 458 CA GLU A 41 5.817 -18.991 -0.864 1.00 32.30 C ATOM 459 C GLU A 41 5.056 -20.254 -1.320 1.00 23.32 C ATOM 460 O GLU A 41 4.008 -20.596 -0.765 1.00 52.03 O ATOM 461 CB GLU A 41 5.173 -17.664 -1.352 1.00 32.41 C ATOM 462 CG GLU A 41 5.349 -17.297 -2.815 1.00 43.45 C ATOM 463 CD GLU A 41 4.653 -15.976 -3.138 1.00 42.11 C ATOM 464 OE1 GLU A 41 3.420 -15.975 -3.391 1.00 33.24 O ATOM 465 OE2 GLU A 41 5.322 -14.923 -3.092 1.00 24.02 O ATOM 0 H GLU A 41 7.660 -18.381 -1.713 1.00 63.12 H new ATOM 0 HA GLU A 41 5.692 -18.988 0.219 1.00 32.30 H new ATOM 0 HB2 GLU A 41 4.104 -17.712 -1.143 1.00 32.41 H new ATOM 0 HB3 GLU A 41 5.579 -16.851 -0.750 1.00 32.41 H new ATOM 0 HG2 GLU A 41 6.411 -17.219 -3.048 1.00 43.45 H new ATOM 0 HG3 GLU A 41 4.942 -18.089 -3.443 1.00 43.45 H new ATOM 472 N GLU A 42 5.618 -20.970 -2.242 1.00 63.33 N ATOM 473 CA GLU A 42 5.034 -22.188 -2.791 1.00 5.12 C ATOM 474 C GLU A 42 5.278 -23.407 -1.874 1.00 22.21 C ATOM 475 O GLU A 42 4.936 -24.534 -2.225 1.00 43.00 O ATOM 476 CB GLU A 42 5.621 -22.474 -4.201 1.00 33.10 C ATOM 477 CG GLU A 42 5.515 -21.320 -5.199 1.00 12.44 C ATOM 478 CD GLU A 42 6.722 -20.406 -5.159 1.00 53.20 C ATOM 479 OE1 GLU A 42 7.084 -19.920 -4.056 1.00 64.01 O ATOM 480 OE2 GLU A 42 7.364 -20.241 -6.191 1.00 3.22 O ATOM 0 H GLU A 42 6.519 -20.731 -2.655 1.00 63.33 H new ATOM 0 HA GLU A 42 3.958 -22.030 -2.863 1.00 5.12 H new ATOM 0 HB2 GLU A 42 6.672 -22.743 -4.091 1.00 33.10 H new ATOM 0 HB3 GLU A 42 5.112 -23.342 -4.619 1.00 33.10 H new ATOM 0 HG2 GLU A 42 5.402 -21.723 -6.205 1.00 12.44 H new ATOM 0 HG3 GLU A 42 4.617 -20.740 -4.985 1.00 12.44 H new ATOM 487 N SER A 43 5.842 -23.176 -0.706 1.00 43.51 N ATOM 488 CA SER A 43 6.103 -24.250 0.230 1.00 64.54 C ATOM 489 C SER A 43 4.838 -24.591 1.025 1.00 15.32 C ATOM 490 O SER A 43 4.044 -23.695 1.372 1.00 61.10 O ATOM 491 CB SER A 43 7.224 -23.849 1.183 1.00 53.55 C ATOM 492 OG SER A 43 8.355 -23.400 0.457 1.00 45.02 O ATOM 0 H SER A 43 6.129 -22.252 -0.382 1.00 43.51 H new ATOM 0 HA SER A 43 6.408 -25.133 -0.332 1.00 64.54 H new ATOM 0 HB2 SER A 43 6.877 -23.061 1.851 1.00 53.55 H new ATOM 0 HB3 SER A 43 7.499 -24.698 1.808 1.00 53.55 H new ATOM 0 HG SER A 43 8.325 -22.424 0.376 1.00 45.02 H new ATOM 498 N ASN A 44 4.648 -25.876 1.287 1.00 50.52 N ATOM 499 CA ASN A 44 3.520 -26.361 2.072 1.00 54.35 C ATOM 500 C ASN A 44 3.740 -25.952 3.519 1.00 53.51 C ATOM 501 O ASN A 44 4.697 -26.391 4.142 1.00 24.10 O ATOM 502 CB ASN A 44 3.419 -27.902 1.967 1.00 35.34 C ATOM 503 CG ASN A 44 2.171 -28.495 2.634 1.00 44.15 C ATOM 504 OD1 ASN A 44 1.631 -27.960 3.595 1.00 11.43 O ATOM 505 ND2 ASN A 44 1.728 -29.623 2.139 1.00 23.04 N ATOM 0 H ASN A 44 5.272 -26.614 0.961 1.00 50.52 H new ATOM 0 HA ASN A 44 2.591 -25.933 1.696 1.00 54.35 H new ATOM 0 HB2 ASN A 44 3.424 -28.185 0.914 1.00 35.34 H new ATOM 0 HB3 ASN A 44 4.306 -28.345 2.421 1.00 35.34 H new ATOM 0 HD21 ASN A 44 0.915 -30.078 2.554 1.00 23.04 H new ATOM 0 HD22 ASN A 44 2.196 -30.047 1.338 1.00 23.04 H new ATOM 512 N LEU A 45 2.850 -25.140 4.052 1.00 74.12 N ATOM 513 CA LEU A 45 3.022 -24.610 5.395 1.00 22.31 C ATOM 514 C LEU A 45 2.810 -25.676 6.430 1.00 53.02 C ATOM 515 O LEU A 45 3.566 -25.766 7.386 1.00 42.41 O ATOM 516 CB LEU A 45 2.108 -23.415 5.651 1.00 5.42 C ATOM 517 CG LEU A 45 2.306 -22.220 4.725 1.00 23.43 C ATOM 518 CD1 LEU A 45 1.390 -21.079 5.128 1.00 31.41 C ATOM 519 CD2 LEU A 45 3.760 -21.763 4.720 1.00 71.24 C ATOM 0 H LEU A 45 2.001 -24.831 3.579 1.00 74.12 H new ATOM 0 HA LEU A 45 4.051 -24.260 5.474 1.00 22.31 H new ATOM 0 HB2 LEU A 45 1.073 -23.748 5.568 1.00 5.42 H new ATOM 0 HB3 LEU A 45 2.254 -23.083 6.679 1.00 5.42 H new ATOM 0 HG LEU A 45 2.049 -22.532 3.713 1.00 23.43 H new ATOM 0 HD11 LEU A 45 1.544 -20.234 4.457 1.00 31.41 H new ATOM 0 HD12 LEU A 45 0.352 -21.407 5.067 1.00 31.41 H new ATOM 0 HD13 LEU A 45 1.615 -20.776 6.151 1.00 31.41 H new ATOM 0 HD21 LEU A 45 3.871 -20.910 4.051 1.00 71.24 H new ATOM 0 HD22 LEU A 45 4.054 -21.474 5.729 1.00 71.24 H new ATOM 0 HD23 LEU A 45 4.397 -22.578 4.376 1.00 71.24 H new ATOM 531 N ILE A 46 1.819 -26.513 6.197 1.00 31.32 N ATOM 532 CA ILE A 46 1.493 -27.640 7.091 1.00 55.12 C ATOM 533 C ILE A 46 2.731 -28.496 7.292 1.00 54.40 C ATOM 534 O ILE A 46 3.120 -28.844 8.407 1.00 65.44 O ATOM 535 CB ILE A 46 0.395 -28.536 6.447 1.00 70.12 C ATOM 536 CG1 ILE A 46 -0.949 -27.793 6.304 1.00 2.11 C ATOM 537 CG2 ILE A 46 0.246 -29.891 7.150 1.00 12.31 C ATOM 538 CD1 ILE A 46 -1.591 -27.330 7.602 1.00 54.54 C ATOM 0 H ILE A 46 1.207 -26.443 5.384 1.00 31.32 H new ATOM 0 HA ILE A 46 1.139 -27.239 8.040 1.00 55.12 H new ATOM 0 HB ILE A 46 0.736 -28.761 5.437 1.00 70.12 H new ATOM 0 HG12 ILE A 46 -0.795 -26.923 5.666 1.00 2.11 H new ATOM 0 HG13 ILE A 46 -1.651 -28.447 5.787 1.00 2.11 H new ATOM 0 HG21 ILE A 46 -0.534 -30.472 6.658 1.00 12.31 H new ATOM 0 HG22 ILE A 46 1.190 -30.433 7.099 1.00 12.31 H new ATOM 0 HG23 ILE A 46 -0.025 -29.732 8.194 1.00 12.31 H new ATOM 0 HD11 ILE A 46 -2.529 -26.821 7.382 1.00 54.54 H new ATOM 0 HD12 ILE A 46 -1.787 -28.193 8.239 1.00 54.54 H new ATOM 0 HD13 ILE A 46 -0.918 -26.644 8.117 1.00 54.54 H new ATOM 550 N GLN A 47 3.380 -28.736 6.195 1.00 64.23 N ATOM 551 CA GLN A 47 4.513 -29.600 6.128 1.00 62.43 C ATOM 552 C GLN A 47 5.789 -28.876 6.614 1.00 60.51 C ATOM 553 O GLN A 47 6.822 -29.494 6.835 1.00 75.33 O ATOM 554 CB GLN A 47 4.633 -30.071 4.689 1.00 43.33 C ATOM 555 CG GLN A 47 5.572 -31.209 4.478 1.00 13.41 C ATOM 556 CD GLN A 47 5.572 -31.706 3.046 1.00 13.23 C ATOM 557 OE1 GLN A 47 5.320 -30.954 2.109 1.00 71.54 O ATOM 558 NE2 GLN A 47 5.855 -32.969 2.864 1.00 62.13 N ATOM 0 H GLN A 47 3.127 -28.323 5.297 1.00 64.23 H new ATOM 0 HA GLN A 47 4.389 -30.459 6.787 1.00 62.43 H new ATOM 0 HB2 GLN A 47 3.645 -30.364 4.334 1.00 43.33 H new ATOM 0 HB3 GLN A 47 4.957 -29.232 4.073 1.00 43.33 H new ATOM 0 HG2 GLN A 47 6.581 -30.899 4.751 1.00 13.41 H new ATOM 0 HG3 GLN A 47 5.300 -32.028 5.143 1.00 13.41 H new ATOM 0 HE21 GLN A 47 6.060 -33.566 3.665 1.00 62.13 H new ATOM 0 HE22 GLN A 47 5.871 -33.357 1.921 1.00 62.13 H new ATOM 567 N ALA A 48 5.686 -27.571 6.797 1.00 31.24 N ATOM 568 CA ALA A 48 6.798 -26.755 7.257 1.00 2.45 C ATOM 569 C ALA A 48 6.700 -26.504 8.766 1.00 35.24 C ATOM 570 O ALA A 48 7.504 -25.778 9.337 1.00 0.41 O ATOM 571 CB ALA A 48 6.838 -25.429 6.496 1.00 32.55 C ATOM 0 H ALA A 48 4.828 -27.046 6.631 1.00 31.24 H new ATOM 0 HA ALA A 48 7.723 -27.296 7.060 1.00 2.45 H new ATOM 0 HB1 ALA A 48 7.676 -24.830 6.852 1.00 32.55 H new ATOM 0 HB2 ALA A 48 6.959 -25.624 5.431 1.00 32.55 H new ATOM 0 HB3 ALA A 48 5.908 -24.886 6.662 1.00 32.55 H new ATOM 577 N GLY A 49 5.704 -27.108 9.401 1.00 11.51 N ATOM 578 CA GLY A 49 5.556 -26.963 10.841 1.00 21.14 C ATOM 579 C GLY A 49 4.449 -26.006 11.233 1.00 35.35 C ATOM 580 O GLY A 49 4.352 -25.589 12.389 1.00 32.10 O ATOM 0 H GLY A 49 4.999 -27.692 8.951 1.00 11.51 H new ATOM 0 HA2 GLY A 49 5.355 -27.940 11.279 1.00 21.14 H new ATOM 0 HA3 GLY A 49 6.498 -26.612 11.263 1.00 21.14 H new ATOM 584 N LEU A 50 3.629 -25.653 10.284 1.00 43.14 N ATOM 585 CA LEU A 50 2.511 -24.776 10.519 1.00 1.21 C ATOM 586 C LEU A 50 1.269 -25.659 10.679 1.00 2.04 C ATOM 587 O LEU A 50 0.736 -26.180 9.705 1.00 60.21 O ATOM 588 CB LEU A 50 2.415 -23.776 9.320 1.00 3.11 C ATOM 589 CG LEU A 50 1.488 -22.543 9.387 1.00 62.35 C ATOM 590 CD1 LEU A 50 0.035 -22.911 9.415 1.00 55.04 C ATOM 591 CD2 LEU A 50 1.836 -21.675 10.559 1.00 50.43 C ATOM 0 H LEU A 50 3.716 -25.967 9.317 1.00 43.14 H new ATOM 0 HA LEU A 50 2.616 -24.177 11.424 1.00 1.21 H new ATOM 0 HB2 LEU A 50 3.423 -23.408 9.129 1.00 3.11 H new ATOM 0 HB3 LEU A 50 2.116 -24.354 8.445 1.00 3.11 H new ATOM 0 HG LEU A 50 1.654 -21.979 8.469 1.00 62.35 H new ATOM 0 HD11 LEU A 50 -0.569 -22.005 9.462 1.00 55.04 H new ATOM 0 HD12 LEU A 50 -0.217 -23.468 8.513 1.00 55.04 H new ATOM 0 HD13 LEU A 50 -0.167 -23.528 10.291 1.00 55.04 H new ATOM 0 HD21 LEU A 50 1.169 -20.813 10.584 1.00 50.43 H new ATOM 0 HD22 LEU A 50 1.726 -22.247 11.481 1.00 50.43 H new ATOM 0 HD23 LEU A 50 2.867 -21.333 10.465 1.00 50.43 H new ATOM 603 N ASP A 51 0.895 -25.871 11.929 1.00 42.12 N ATOM 604 CA ASP A 51 -0.248 -26.697 12.336 1.00 50.32 C ATOM 605 C ASP A 51 -1.571 -26.016 12.000 1.00 14.41 C ATOM 606 O ASP A 51 -1.586 -24.895 11.488 1.00 24.32 O ATOM 607 CB ASP A 51 -0.157 -26.970 13.844 1.00 42.24 C ATOM 608 CG ASP A 51 0.057 -25.696 14.634 1.00 24.03 C ATOM 609 OD1 ASP A 51 1.236 -25.291 14.810 1.00 1.11 O ATOM 610 OD2 ASP A 51 -0.924 -25.059 15.043 1.00 5.24 O ATOM 0 H ASP A 51 1.390 -25.463 12.722 1.00 42.12 H new ATOM 0 HA ASP A 51 -0.215 -27.638 11.787 1.00 50.32 H new ATOM 0 HB2 ASP A 51 -1.072 -27.457 14.181 1.00 42.24 H new ATOM 0 HB3 ASP A 51 0.663 -27.661 14.040 1.00 42.24 H new ATOM 667 N ILE A 53 -3.785 -25.045 14.069 1.00 62.51 N ATOM 668 CA ILE A 53 -4.089 -24.093 15.080 1.00 34.43 C ATOM 669 C ILE A 53 -3.485 -22.799 14.640 1.00 74.30 C ATOM 670 O ILE A 53 -4.154 -21.770 14.609 1.00 12.43 O ATOM 671 CB ILE A 53 -3.553 -24.505 16.468 1.00 32.35 C ATOM 672 CG1 ILE A 53 -4.197 -25.832 16.914 1.00 25.32 C ATOM 673 CG2 ILE A 53 -3.795 -23.397 17.504 1.00 1.02 C ATOM 674 CD1 ILE A 53 -5.724 -25.815 16.968 1.00 62.05 C ATOM 0 HA ILE A 53 -5.170 -24.014 15.199 1.00 34.43 H new ATOM 0 HB ILE A 53 -2.476 -24.653 16.392 1.00 32.35 H new ATOM 0 HG12 ILE A 53 -3.880 -26.621 16.232 1.00 25.32 H new ATOM 0 HG13 ILE A 53 -3.815 -26.092 17.901 1.00 25.32 H new ATOM 0 HG21 ILE A 53 -3.408 -23.714 18.472 1.00 1.02 H new ATOM 0 HG22 ILE A 53 -3.285 -22.487 17.189 1.00 1.02 H new ATOM 0 HG23 ILE A 53 -4.864 -23.203 17.587 1.00 1.02 H new ATOM 0 HD11 ILE A 53 -6.088 -26.790 17.292 1.00 62.05 H new ATOM 0 HD12 ILE A 53 -6.055 -25.052 17.673 1.00 62.05 H new ATOM 0 HD13 ILE A 53 -6.121 -25.590 15.978 1.00 62.05 H new ATOM 686 N ARG A 54 -2.218 -22.864 14.246 1.00 1.52 N ATOM 687 CA ARG A 54 -1.536 -21.753 13.660 1.00 54.32 C ATOM 688 C ARG A 54 -2.229 -21.298 12.404 1.00 64.12 C ATOM 689 O ARG A 54 -2.449 -20.111 12.218 1.00 1.23 O ATOM 690 CB ARG A 54 -0.139 -22.109 13.340 1.00 21.10 C ATOM 691 CG ARG A 54 0.772 -22.124 14.515 1.00 1.54 C ATOM 692 CD ARG A 54 2.132 -22.337 14.009 1.00 64.12 C ATOM 693 NE ARG A 54 3.203 -22.169 14.994 1.00 42.23 N ATOM 694 CZ ARG A 54 4.061 -23.133 15.313 1.00 2.23 C ATOM 695 NH1 ARG A 54 3.688 -24.414 15.235 1.00 4.11 N ATOM 696 NH2 ARG A 54 5.263 -22.813 15.796 1.00 23.32 N ATOM 0 H ARG A 54 -1.645 -23.703 14.332 1.00 1.52 H new ATOM 0 HA ARG A 54 -1.545 -20.941 14.387 1.00 54.32 H new ATOM 0 HB2 ARG A 54 -0.125 -23.093 12.871 1.00 21.10 H new ATOM 0 HB3 ARG A 54 0.245 -21.401 12.606 1.00 21.10 H new ATOM 0 HG2 ARG A 54 0.709 -21.184 15.063 1.00 1.54 H new ATOM 0 HG3 ARG A 54 0.491 -22.916 15.209 1.00 1.54 H new ATOM 0 HD2 ARG A 54 2.195 -23.345 13.598 1.00 64.12 H new ATOM 0 HD3 ARG A 54 2.307 -21.645 13.185 1.00 64.12 H new ATOM 0 HE ARG A 54 3.295 -21.266 15.459 1.00 42.23 H new ATOM 0 HH11 ARG A 54 2.744 -24.653 14.930 1.00 4.11 H new ATOM 0 HH12 ARG A 54 4.347 -25.153 15.480 1.00 4.11 H new ATOM 0 HH21 ARG A 54 5.519 -21.833 15.919 1.00 23.32 H new ATOM 0 HH22 ARG A 54 5.926 -23.548 16.043 1.00 23.32 H new ATOM 710 N LEU A 55 -2.609 -22.265 11.571 1.00 73.22 N ATOM 711 CA LEU A 55 -3.333 -22.039 10.307 1.00 53.14 C ATOM 712 C LEU A 55 -4.594 -21.219 10.612 1.00 74.23 C ATOM 713 O LEU A 55 -4.909 -20.243 9.923 1.00 45.12 O ATOM 714 CB LEU A 55 -3.706 -23.437 9.720 1.00 73.12 C ATOM 715 CG LEU A 55 -4.018 -23.610 8.210 1.00 1.30 C ATOM 716 CD1 LEU A 55 -5.177 -22.793 7.740 1.00 2.40 C ATOM 717 CD2 LEU A 55 -2.804 -23.350 7.360 1.00 13.04 C ATOM 0 H LEU A 55 -2.421 -23.251 11.754 1.00 73.22 H new ATOM 0 HA LEU A 55 -2.728 -21.492 9.584 1.00 53.14 H new ATOM 0 HB2 LEU A 55 -2.884 -24.113 9.956 1.00 73.12 H new ATOM 0 HB3 LEU A 55 -4.578 -23.792 10.269 1.00 73.12 H new ATOM 0 HG LEU A 55 -4.309 -24.654 8.092 1.00 1.30 H new ATOM 0 HD11 LEU A 55 -5.336 -22.965 6.675 1.00 2.40 H new ATOM 0 HD12 LEU A 55 -6.072 -23.080 8.291 1.00 2.40 H new ATOM 0 HD13 LEU A 55 -4.970 -21.736 7.910 1.00 2.40 H new ATOM 0 HD21 LEU A 55 -3.061 -23.481 6.309 1.00 13.04 H new ATOM 0 HD22 LEU A 55 -2.456 -22.330 7.524 1.00 13.04 H new ATOM 0 HD23 LEU A 55 -2.014 -24.051 7.630 1.00 13.04 H new ATOM 729 N MET A 56 -5.278 -21.582 11.681 1.00 41.42 N ATOM 730 CA MET A 56 -6.478 -20.881 12.059 1.00 3.25 C ATOM 731 C MET A 56 -6.175 -19.536 12.693 1.00 60.22 C ATOM 732 O MET A 56 -6.943 -18.599 12.522 1.00 21.50 O ATOM 733 CB MET A 56 -7.364 -21.695 12.968 1.00 24.53 C ATOM 734 CG MET A 56 -8.677 -20.991 13.282 1.00 64.40 C ATOM 735 SD MET A 56 -9.274 -21.344 14.917 1.00 52.02 S ATOM 736 CE MET A 56 -7.818 -20.849 15.832 1.00 35.41 C ATOM 0 H MET A 56 -5.021 -22.354 12.296 1.00 41.42 H new ATOM 0 HA MET A 56 -7.023 -20.709 11.131 1.00 3.25 H new ATOM 0 HB2 MET A 56 -7.574 -22.657 12.500 1.00 24.53 H new ATOM 0 HB3 MET A 56 -6.834 -21.901 13.898 1.00 24.53 H new ATOM 0 HG2 MET A 56 -8.542 -19.915 13.174 1.00 64.40 H new ATOM 0 HG3 MET A 56 -9.429 -21.292 12.553 1.00 64.40 H new ATOM 0 HE1 MET A 56 -8.117 -20.435 16.795 1.00 35.41 H new ATOM 0 HE2 MET A 56 -7.177 -21.716 15.993 1.00 35.41 H new ATOM 0 HE3 MET A 56 -7.272 -20.094 15.266 1.00 35.41 H new ATOM 746 N ARG A 57 -5.070 -19.430 13.427 1.00 70.21 N ATOM 747 CA ARG A 57 -4.685 -18.143 14.000 1.00 60.43 C ATOM 748 C ARG A 57 -4.444 -17.160 12.867 1.00 62.21 C ATOM 749 O ARG A 57 -4.720 -15.973 12.975 1.00 63.22 O ATOM 750 CB ARG A 57 -3.401 -18.211 14.742 1.00 1.24 C ATOM 751 CG ARG A 57 -3.318 -19.186 15.860 1.00 73.32 C ATOM 752 CD ARG A 57 -2.030 -18.943 16.544 1.00 62.34 C ATOM 753 NE ARG A 57 -1.554 -20.083 17.337 1.00 64.14 N ATOM 754 CZ ARG A 57 -0.248 -20.432 17.433 1.00 15.14 C ATOM 755 NH1 ARG A 57 0.694 -19.653 16.886 1.00 15.15 N ATOM 756 NH2 ARG A 57 0.105 -21.552 18.073 1.00 25.53 N ATOM 0 H ARG A 57 -4.437 -20.202 13.636 1.00 70.21 H new ATOM 0 HA ARG A 57 -5.488 -17.847 14.675 1.00 60.43 H new ATOM 0 HB2 ARG A 57 -2.610 -18.445 14.029 1.00 1.24 H new ATOM 0 HB3 ARG A 57 -3.188 -17.219 15.141 1.00 1.24 H new ATOM 0 HG2 ARG A 57 -4.152 -19.056 16.549 1.00 73.32 H new ATOM 0 HG3 ARG A 57 -3.370 -20.208 15.486 1.00 73.32 H new ATOM 0 HD2 ARG A 57 -1.276 -18.691 15.799 1.00 62.34 H new ATOM 0 HD3 ARG A 57 -2.134 -18.077 17.197 1.00 62.34 H new ATOM 0 HE ARG A 57 -2.242 -20.642 17.842 1.00 64.14 H new ATOM 0 HH11 ARG A 57 0.428 -18.798 16.398 1.00 15.15 H new ATOM 0 HH12 ARG A 57 1.677 -19.915 16.958 1.00 15.15 H new ATOM 0 HH21 ARG A 57 -0.610 -22.147 18.491 1.00 25.53 H new ATOM 0 HH22 ARG A 57 1.089 -21.811 18.143 1.00 25.53 H new ATOM 770 N TRP A 58 -3.887 -17.689 11.783 1.00 31.35 N ATOM 771 CA TRP A 58 -3.642 -16.935 10.582 1.00 73.34 C ATOM 772 C TRP A 58 -4.919 -16.522 9.927 1.00 31.12 C ATOM 773 O TRP A 58 -5.055 -15.380 9.499 1.00 43.44 O ATOM 774 CB TRP A 58 -2.730 -17.689 9.626 1.00 52.22 C ATOM 775 CG TRP A 58 -1.319 -17.654 10.077 1.00 31.53 C ATOM 776 CD1 TRP A 58 -0.515 -18.707 10.372 1.00 64.15 C ATOM 777 CD2 TRP A 58 -0.556 -16.476 10.319 1.00 74.20 C ATOM 778 NE1 TRP A 58 0.713 -18.251 10.788 1.00 21.33 N ATOM 779 CE2 TRP A 58 0.709 -16.878 10.754 1.00 13.44 C ATOM 780 CE3 TRP A 58 -0.829 -15.109 10.199 1.00 61.13 C ATOM 781 CZ2 TRP A 58 1.703 -15.961 11.071 1.00 74.12 C ATOM 782 CZ3 TRP A 58 0.153 -14.212 10.515 1.00 50.15 C ATOM 783 CH2 TRP A 58 1.400 -14.643 10.943 1.00 60.50 C ATOM 0 H TRP A 58 -3.594 -18.664 11.724 1.00 31.35 H new ATOM 0 HA TRP A 58 -3.119 -16.022 10.868 1.00 73.34 H new ATOM 0 HB2 TRP A 58 -3.062 -18.724 9.546 1.00 52.22 H new ATOM 0 HB3 TRP A 58 -2.805 -17.253 8.630 1.00 52.22 H new ATOM 0 HD1 TRP A 58 -0.798 -19.746 10.292 1.00 64.15 H new ATOM 0 HE1 TRP A 58 1.498 -18.836 11.075 1.00 21.33 H new ATOM 0 HE3 TRP A 58 -1.797 -14.769 9.863 1.00 61.13 H new ATOM 0 HZ2 TRP A 58 2.678 -16.283 11.406 1.00 74.12 H new ATOM 0 HZ3 TRP A 58 -0.045 -13.154 10.430 1.00 50.15 H new ATOM 0 HH2 TRP A 58 2.154 -13.907 11.182 1.00 60.50 H new ATOM 794 N LEU A 59 -5.874 -17.433 9.881 1.00 63.14 N ATOM 795 CA LEU A 59 -7.184 -17.107 9.381 1.00 42.23 C ATOM 796 C LEU A 59 -7.784 -16.011 10.215 1.00 22.42 C ATOM 797 O LEU A 59 -8.386 -15.096 9.700 1.00 52.42 O ATOM 798 CB LEU A 59 -8.108 -18.268 9.448 1.00 3.20 C ATOM 799 CG LEU A 59 -9.449 -17.966 8.840 1.00 71.33 C ATOM 800 CD1 LEU A 59 -9.349 -17.879 7.341 1.00 74.21 C ATOM 801 CD2 LEU A 59 -10.446 -18.951 9.264 1.00 13.03 C ATOM 0 H LEU A 59 -5.761 -18.400 10.184 1.00 63.14 H new ATOM 0 HA LEU A 59 -7.062 -16.802 8.342 1.00 42.23 H new ATOM 0 HB2 LEU A 59 -7.660 -19.116 8.931 1.00 3.20 H new ATOM 0 HB3 LEU A 59 -8.242 -18.563 10.489 1.00 3.20 H new ATOM 0 HG LEU A 59 -9.781 -16.992 9.201 1.00 71.33 H new ATOM 0 HD11 LEU A 59 -10.331 -17.660 6.923 1.00 74.21 H new ATOM 0 HD12 LEU A 59 -8.653 -17.086 7.068 1.00 74.21 H new ATOM 0 HD13 LEU A 59 -8.990 -18.829 6.945 1.00 74.21 H new ATOM 0 HD21 LEU A 59 -11.409 -18.712 8.812 1.00 13.03 H new ATOM 0 HD22 LEU A 59 -10.133 -19.946 8.947 1.00 13.03 H new ATOM 0 HD23 LEU A 59 -10.540 -18.929 10.350 1.00 13.03 H new ATOM 813 N HIS A 60 -7.602 -16.134 11.511 1.00 0.13 N ATOM 814 CA HIS A 60 -8.049 -15.162 12.480 1.00 21.41 C ATOM 815 C HIS A 60 -7.443 -13.797 12.154 1.00 74.32 C ATOM 816 O HIS A 60 -8.125 -12.776 12.180 1.00 42.33 O ATOM 817 CB HIS A 60 -7.620 -15.626 13.887 1.00 21.44 C ATOM 818 CG HIS A 60 -7.985 -14.695 14.980 1.00 12.41 C ATOM 819 ND1 HIS A 60 -7.085 -14.085 15.826 1.00 4.21 N ATOM 820 CD2 HIS A 60 -9.184 -14.293 15.354 1.00 64.04 C ATOM 821 CE1 HIS A 60 -7.784 -13.333 16.681 1.00 71.43 C ATOM 822 NE2 HIS A 60 -9.073 -13.424 16.435 1.00 41.20 N ATOM 0 H HIS A 60 -7.127 -16.934 11.929 1.00 0.13 H new ATOM 0 HA HIS A 60 -9.135 -15.072 12.449 1.00 21.41 H new ATOM 0 HB2 HIS A 60 -8.072 -16.597 14.089 1.00 21.44 H new ATOM 0 HB3 HIS A 60 -6.539 -15.769 13.895 1.00 21.44 H new ATOM 0 HD2 HIS A 60 -10.112 -14.593 14.891 1.00 64.04 H new ATOM 0 HE1 HIS A 60 -7.350 -12.732 17.467 1.00 71.43 H new ATOM 0 HE2 HIS A 60 -9.831 -12.956 16.932 1.00 41.20 H new ATOM 830 N TRP A 61 -6.172 -13.807 11.823 1.00 14.33 N ATOM 831 CA TRP A 61 -5.451 -12.622 11.460 1.00 33.04 C ATOM 832 C TRP A 61 -6.073 -11.990 10.202 1.00 3.25 C ATOM 833 O TRP A 61 -6.284 -10.775 10.167 1.00 73.05 O ATOM 834 CB TRP A 61 -3.965 -12.957 11.268 1.00 33.50 C ATOM 835 CG TRP A 61 -3.074 -11.780 11.011 1.00 34.50 C ATOM 836 CD1 TRP A 61 -2.657 -10.852 11.922 1.00 44.12 C ATOM 837 CD2 TRP A 61 -2.453 -11.432 9.771 1.00 42.54 C ATOM 838 NE1 TRP A 61 -1.840 -9.934 11.317 1.00 44.32 N ATOM 839 CE2 TRP A 61 -1.692 -10.272 9.997 1.00 72.11 C ATOM 840 CE3 TRP A 61 -2.473 -11.983 8.489 1.00 41.21 C ATOM 841 CZ2 TRP A 61 -0.957 -9.657 8.992 1.00 43.21 C ATOM 842 CZ3 TRP A 61 -1.738 -11.373 7.495 1.00 5.43 C ATOM 843 CH2 TRP A 61 -0.991 -10.222 7.753 1.00 64.32 C ATOM 0 H TRP A 61 -5.607 -14.656 11.800 1.00 14.33 H new ATOM 0 HA TRP A 61 -5.522 -11.886 12.261 1.00 33.04 H new ATOM 0 HB2 TRP A 61 -3.608 -13.475 12.158 1.00 33.50 H new ATOM 0 HB3 TRP A 61 -3.871 -13.653 10.434 1.00 33.50 H new ATOM 0 HD1 TRP A 61 -2.931 -10.843 12.967 1.00 44.12 H new ATOM 0 HE1 TRP A 61 -1.411 -9.129 11.775 1.00 44.32 H new ATOM 0 HE3 TRP A 61 -3.053 -12.870 8.280 1.00 41.21 H new ATOM 0 HZ2 TRP A 61 -0.380 -8.765 9.185 1.00 43.21 H new ATOM 0 HZ3 TRP A 61 -1.740 -11.793 6.500 1.00 5.43 H new ATOM 0 HH2 TRP A 61 -0.427 -9.769 6.951 1.00 64.32 H new ATOM 854 N PHE A 62 -6.408 -12.821 9.218 1.00 44.21 N ATOM 855 CA PHE A 62 -7.065 -12.359 7.986 1.00 4.33 C ATOM 856 C PHE A 62 -8.485 -11.887 8.257 1.00 51.11 C ATOM 857 O PHE A 62 -8.889 -10.826 7.808 1.00 70.51 O ATOM 858 CB PHE A 62 -7.110 -13.455 6.909 1.00 32.23 C ATOM 859 CG PHE A 62 -5.784 -13.860 6.386 1.00 72.44 C ATOM 860 CD1 PHE A 62 -4.979 -12.936 5.773 1.00 72.35 C ATOM 861 CD2 PHE A 62 -5.350 -15.163 6.490 1.00 64.21 C ATOM 862 CE1 PHE A 62 -3.750 -13.304 5.276 1.00 61.11 C ATOM 863 CE2 PHE A 62 -4.125 -15.542 5.997 1.00 44.44 C ATOM 864 CZ PHE A 62 -3.322 -14.611 5.390 1.00 0.22 C ATOM 0 H PHE A 62 -6.236 -13.826 9.246 1.00 44.21 H new ATOM 0 HA PHE A 62 -6.465 -11.526 7.620 1.00 4.33 H new ATOM 0 HB2 PHE A 62 -7.606 -14.333 7.323 1.00 32.23 H new ATOM 0 HB3 PHE A 62 -7.722 -13.105 6.078 1.00 32.23 H new ATOM 0 HD1 PHE A 62 -5.311 -11.913 5.679 1.00 72.35 H new ATOM 0 HD2 PHE A 62 -5.982 -15.898 6.966 1.00 64.21 H new ATOM 0 HE1 PHE A 62 -3.120 -12.570 4.796 1.00 61.11 H new ATOM 0 HE2 PHE A 62 -3.797 -16.567 6.087 1.00 44.44 H new ATOM 0 HZ PHE A 62 -2.356 -14.900 5.002 1.00 0.22 H new ATOM 874 N ARG A 63 -9.214 -12.676 9.012 1.00 1.42 N ATOM 875 CA ARG A 63 -10.620 -12.431 9.350 1.00 13.55 C ATOM 876 C ARG A 63 -10.751 -11.060 10.025 1.00 51.41 C ATOM 877 O ARG A 63 -11.700 -10.323 9.809 1.00 4.20 O ATOM 878 CB ARG A 63 -11.080 -13.534 10.318 1.00 70.12 C ATOM 879 CG ARG A 63 -12.582 -13.716 10.456 1.00 43.04 C ATOM 880 CD ARG A 63 -13.187 -14.340 9.202 1.00 22.44 C ATOM 881 NE ARG A 63 -14.645 -14.548 9.347 1.00 32.22 N ATOM 882 CZ ARG A 63 -15.383 -15.467 8.683 1.00 41.11 C ATOM 883 NH1 ARG A 63 -14.816 -16.303 7.818 1.00 1.31 N ATOM 884 NH2 ARG A 63 -16.700 -15.553 8.910 1.00 64.41 N ATOM 0 H ARG A 63 -8.846 -13.533 9.425 1.00 1.42 H new ATOM 0 HA ARG A 63 -11.236 -12.441 8.450 1.00 13.55 H new ATOM 0 HB2 ARG A 63 -10.648 -14.480 9.991 1.00 70.12 H new ATOM 0 HB3 ARG A 63 -10.668 -13.319 11.304 1.00 70.12 H new ATOM 0 HG2 ARG A 63 -12.795 -14.349 11.318 1.00 43.04 H new ATOM 0 HG3 ARG A 63 -13.051 -12.750 10.646 1.00 43.04 H new ATOM 0 HD2 ARG A 63 -12.994 -13.695 8.345 1.00 22.44 H new ATOM 0 HD3 ARG A 63 -12.701 -15.294 8.999 1.00 22.44 H new ATOM 0 HE ARG A 63 -15.137 -13.945 10.006 1.00 32.22 H new ATOM 0 HH11 ARG A 63 -13.811 -16.257 7.648 1.00 1.31 H new ATOM 0 HH12 ARG A 63 -15.386 -16.991 7.325 1.00 1.31 H new ATOM 0 HH21 ARG A 63 -17.144 -14.927 9.582 1.00 64.41 H new ATOM 0 HH22 ARG A 63 -17.259 -16.245 8.411 1.00 64.41 H new ATOM 898 N LYS A 64 -9.739 -10.743 10.797 1.00 51.15 N ATOM 899 CA LYS A 64 -9.620 -9.507 11.545 1.00 54.42 C ATOM 900 C LYS A 64 -9.305 -8.311 10.614 1.00 3.32 C ATOM 901 O LYS A 64 -9.511 -7.165 10.979 1.00 35.03 O ATOM 902 CB LYS A 64 -8.478 -9.705 12.521 1.00 55.22 C ATOM 903 CG LYS A 64 -8.232 -8.603 13.524 1.00 41.41 C ATOM 904 CD LYS A 64 -6.945 -8.883 14.291 1.00 21.04 C ATOM 905 CE LYS A 64 -5.669 -8.407 13.537 1.00 71.11 C ATOM 906 NZ LYS A 64 -5.525 -8.933 12.141 1.00 5.13 N ATOM 0 H LYS A 64 -8.940 -11.364 10.929 1.00 51.15 H new ATOM 0 HA LYS A 64 -10.558 -9.281 12.052 1.00 54.42 H new ATOM 0 HB2 LYS A 64 -8.659 -10.629 13.071 1.00 55.22 H new ATOM 0 HB3 LYS A 64 -7.563 -9.850 11.946 1.00 55.22 H new ATOM 0 HG2 LYS A 64 -8.160 -7.643 13.013 1.00 41.41 H new ATOM 0 HG3 LYS A 64 -9.071 -8.534 14.216 1.00 41.41 H new ATOM 0 HD2 LYS A 64 -6.992 -8.388 15.261 1.00 21.04 H new ATOM 0 HD3 LYS A 64 -6.869 -9.953 14.482 1.00 21.04 H new ATOM 0 HE2 LYS A 64 -5.672 -7.318 13.500 1.00 71.11 H new ATOM 0 HE3 LYS A 64 -4.793 -8.704 14.113 1.00 71.11 H new ATOM 0 HZ1 LYS A 64 -4.516 -9.033 11.910 1.00 5.13 H new ATOM 0 HZ2 LYS A 64 -5.990 -9.860 12.070 1.00 5.13 H new ATOM 0 HZ3 LYS A 64 -5.969 -8.271 11.473 1.00 5.13 H new ATOM 920 N ASN A 65 -8.784 -8.594 9.433 1.00 2.01 N ATOM 921 CA ASN A 65 -8.441 -7.540 8.461 1.00 4.02 C ATOM 922 C ASN A 65 -9.551 -7.364 7.448 1.00 65.24 C ATOM 923 O ASN A 65 -9.433 -6.582 6.510 1.00 2.31 O ATOM 924 CB ASN A 65 -7.100 -7.811 7.726 1.00 42.01 C ATOM 925 CG ASN A 65 -5.851 -7.555 8.562 1.00 63.42 C ATOM 926 OD1 ASN A 65 -5.851 -7.709 9.799 1.00 73.33 O ATOM 927 ND2 ASN A 65 -4.775 -7.166 7.907 1.00 74.21 N ATOM 0 H ASN A 65 -8.585 -9.542 9.113 1.00 2.01 H new ATOM 0 HA ASN A 65 -8.319 -6.622 9.035 1.00 4.02 H new ATOM 0 HB2 ASN A 65 -7.089 -8.848 7.390 1.00 42.01 H new ATOM 0 HB3 ASN A 65 -7.058 -7.186 6.834 1.00 42.01 H new ATOM 0 HD21 ASN A 65 -3.909 -6.982 8.413 1.00 74.21 H new ATOM 0 HD22 ASN A 65 -4.809 -7.050 6.894 1.00 74.21 H new ATOM 934 N GLY A 66 -10.625 -8.100 7.635 1.00 24.34 N ATOM 935 CA GLY A 66 -11.754 -7.967 6.754 1.00 34.41 C ATOM 936 C GLY A 66 -11.871 -9.088 5.751 1.00 13.41 C ATOM 937 O GLY A 66 -12.716 -9.038 4.881 1.00 10.54 O ATOM 0 H GLY A 66 -10.736 -8.787 8.381 1.00 24.34 H new ATOM 0 HA2 GLY A 66 -12.666 -7.926 7.349 1.00 34.41 H new ATOM 0 HA3 GLY A 66 -11.679 -7.019 6.221 1.00 34.41 H new ATOM 941 N TYR A 67 -11.015 -10.086 5.850 1.00 53.25 N ATOM 942 CA TYR A 67 -11.109 -11.221 4.956 1.00 15.44 C ATOM 943 C TYR A 67 -12.141 -12.206 5.485 1.00 73.34 C ATOM 944 O TYR A 67 -11.925 -12.836 6.537 1.00 14.22 O ATOM 945 CB TYR A 67 -9.771 -11.957 4.856 1.00 42.44 C ATOM 946 CG TYR A 67 -8.611 -11.187 4.258 1.00 55.44 C ATOM 947 CD1 TYR A 67 -7.883 -10.273 5.006 1.00 40.42 C ATOM 948 CD2 TYR A 67 -8.219 -11.413 2.960 1.00 23.24 C ATOM 949 CE1 TYR A 67 -6.803 -9.612 4.470 1.00 13.51 C ATOM 950 CE2 TYR A 67 -7.148 -10.747 2.420 1.00 44.23 C ATOM 951 CZ TYR A 67 -6.449 -9.856 3.173 1.00 54.25 C ATOM 952 OH TYR A 67 -5.376 -9.230 2.630 1.00 53.55 O ATOM 0 H TYR A 67 -10.257 -10.134 6.531 1.00 53.25 H new ATOM 0 HA TYR A 67 -11.394 -10.845 3.973 1.00 15.44 H new ATOM 0 HB2 TYR A 67 -9.485 -12.279 5.857 1.00 42.44 H new ATOM 0 HB3 TYR A 67 -9.923 -12.858 4.262 1.00 42.44 H new ATOM 0 HD1 TYR A 67 -8.170 -10.077 6.029 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -8.762 -12.125 2.356 1.00 23.24 H new ATOM 0 HE1 TYR A 67 -6.241 -8.909 5.067 1.00 13.51 H new ATOM 0 HE2 TYR A 67 -6.860 -10.931 1.396 1.00 44.23 H new ATOM 0 HH TYR A 67 -4.717 -9.044 3.331 1.00 53.55 H new ATOM 962 N ARG A 68 -13.244 -12.363 4.793 1.00 64.11 N ATOM 963 CA ARG A 68 -14.256 -13.333 5.167 1.00 33.04 C ATOM 964 C ARG A 68 -13.814 -14.731 4.647 1.00 55.11 C ATOM 965 O ARG A 68 -14.560 -15.443 3.971 1.00 41.13 O ATOM 966 CB ARG A 68 -15.544 -12.917 4.483 1.00 63.43 C ATOM 967 CG ARG A 68 -16.788 -13.663 4.860 1.00 63.55 C ATOM 968 CD ARG A 68 -17.779 -13.585 3.714 1.00 52.34 C ATOM 969 NE ARG A 68 -17.284 -14.352 2.549 1.00 0.30 N ATOM 970 CZ ARG A 68 -16.848 -13.823 1.382 1.00 22.04 C ATOM 971 NH1 ARG A 68 -16.730 -12.530 1.219 1.00 72.24 N ATOM 972 NH2 ARG A 68 -16.453 -14.612 0.395 1.00 21.50 N ATOM 0 H ARG A 68 -13.469 -11.825 3.956 1.00 64.11 H new ATOM 0 HA ARG A 68 -14.393 -13.379 6.247 1.00 33.04 H new ATOM 0 HB2 ARG A 68 -15.709 -11.859 4.687 1.00 63.43 H new ATOM 0 HB3 ARG A 68 -15.403 -13.016 3.407 1.00 63.43 H new ATOM 0 HG2 ARG A 68 -16.550 -14.703 5.082 1.00 63.55 H new ATOM 0 HG3 ARG A 68 -17.223 -13.236 5.764 1.00 63.55 H new ATOM 0 HD2 ARG A 68 -18.744 -13.978 4.033 1.00 52.34 H new ATOM 0 HD3 ARG A 68 -17.936 -12.544 3.432 1.00 52.34 H new ATOM 0 HE ARG A 68 -17.270 -15.368 2.633 1.00 0.30 H new ATOM 0 HH11 ARG A 68 -16.969 -11.896 1.981 1.00 72.24 H new ATOM 0 HH12 ARG A 68 -16.399 -12.156 0.330 1.00 72.24 H new ATOM 0 HH21 ARG A 68 -16.476 -15.625 0.511 1.00 21.50 H new ATOM 0 HH22 ARG A 68 -16.126 -14.207 -0.482 1.00 21.50 H new ATOM 986 N LEU A 69 -12.643 -15.137 5.054 1.00 23.32 N ATOM 987 CA LEU A 69 -12.082 -16.399 4.649 1.00 41.43 C ATOM 988 C LEU A 69 -12.449 -17.475 5.632 1.00 51.03 C ATOM 989 O LEU A 69 -12.500 -17.230 6.854 1.00 23.34 O ATOM 990 CB LEU A 69 -10.553 -16.299 4.518 1.00 42.30 C ATOM 991 CG LEU A 69 -10.007 -15.552 3.300 1.00 42.01 C ATOM 992 CD1 LEU A 69 -8.512 -15.319 3.452 1.00 5.43 C ATOM 993 CD2 LEU A 69 -10.260 -16.369 2.047 1.00 73.42 C ATOM 0 H LEU A 69 -12.046 -14.598 5.681 1.00 23.32 H new ATOM 0 HA LEU A 69 -12.495 -16.658 3.674 1.00 41.43 H new ATOM 0 HB2 LEU A 69 -10.167 -15.813 5.414 1.00 42.30 H new ATOM 0 HB3 LEU A 69 -10.147 -17.311 4.505 1.00 42.30 H new ATOM 0 HG LEU A 69 -10.513 -14.590 3.223 1.00 42.01 H new ATOM 0 HD11 LEU A 69 -8.136 -14.787 2.578 1.00 5.43 H new ATOM 0 HD12 LEU A 69 -8.325 -14.725 4.347 1.00 5.43 H new ATOM 0 HD13 LEU A 69 -8.001 -16.278 3.540 1.00 5.43 H new ATOM 0 HD21 LEU A 69 -9.870 -15.836 1.180 1.00 73.42 H new ATOM 0 HD22 LEU A 69 -9.760 -17.334 2.134 1.00 73.42 H new ATOM 0 HD23 LEU A 69 -11.332 -16.526 1.925 1.00 73.42 H new ATOM 1005 N THR A 70 -12.750 -18.615 5.118 1.00 30.30 N ATOM 1006 CA THR A 70 -13.050 -19.778 5.893 1.00 73.51 C ATOM 1007 C THR A 70 -11.728 -20.526 6.087 1.00 50.42 C ATOM 1008 O THR A 70 -10.835 -20.411 5.237 1.00 25.11 O ATOM 1009 CB THR A 70 -14.013 -20.665 5.096 1.00 24.41 C ATOM 1010 OG1 THR A 70 -14.989 -19.831 4.453 1.00 61.35 O ATOM 1011 CG2 THR A 70 -14.730 -21.652 6.012 1.00 21.42 C ATOM 0 H THR A 70 -12.797 -18.774 4.112 1.00 30.30 H new ATOM 0 HA THR A 70 -13.505 -19.519 6.849 1.00 73.51 H new ATOM 0 HB THR A 70 -13.441 -21.227 4.358 1.00 24.41 H new ATOM 0 HG1 THR A 70 -14.605 -19.449 3.636 1.00 61.35 H new ATOM 0 HG21 THR A 70 -15.407 -22.270 5.422 1.00 21.42 H new ATOM 0 HG22 THR A 70 -13.996 -22.289 6.506 1.00 21.42 H new ATOM 0 HG23 THR A 70 -15.299 -21.104 6.763 1.00 21.42 H new ATOM 1019 N LEU A 71 -11.580 -21.297 7.168 1.00 2.43 N ATOM 1020 CA LEU A 71 -10.294 -21.956 7.411 1.00 44.14 C ATOM 1021 C LEU A 71 -9.982 -22.925 6.329 1.00 23.30 C ATOM 1022 O LEU A 71 -8.855 -23.008 5.884 1.00 41.12 O ATOM 1023 CB LEU A 71 -10.226 -22.712 8.723 1.00 55.33 C ATOM 1024 CG LEU A 71 -8.829 -23.119 9.115 1.00 43.23 C ATOM 1025 CD1 LEU A 71 -8.017 -21.901 9.393 1.00 14.01 C ATOM 1026 CD2 LEU A 71 -8.840 -23.996 10.304 1.00 2.02 C ATOM 0 H LEU A 71 -12.303 -21.476 7.864 1.00 2.43 H new ATOM 0 HA LEU A 71 -9.571 -21.141 7.444 1.00 44.14 H new ATOM 0 HB2 LEU A 71 -10.649 -22.091 9.513 1.00 55.33 H new ATOM 0 HB3 LEU A 71 -10.848 -23.604 8.651 1.00 55.33 H new ATOM 0 HG LEU A 71 -8.389 -23.677 8.289 1.00 43.23 H new ATOM 0 HD11 LEU A 71 -7.006 -22.194 9.677 1.00 14.01 H new ATOM 0 HD12 LEU A 71 -7.977 -21.279 8.499 1.00 14.01 H new ATOM 0 HD13 LEU A 71 -8.473 -21.338 10.207 1.00 14.01 H new ATOM 0 HD21 LEU A 71 -7.818 -24.272 10.562 1.00 2.02 H new ATOM 0 HD22 LEU A 71 -9.295 -23.468 11.142 1.00 2.02 H new ATOM 0 HD23 LEU A 71 -9.415 -24.896 10.087 1.00 2.02 H new ATOM 1038 N ARG A 72 -11.004 -23.628 5.882 1.00 44.43 N ATOM 1039 CA ARG A 72 -10.840 -24.656 4.882 1.00 53.51 C ATOM 1040 C ARG A 72 -10.261 -24.084 3.562 1.00 53.53 C ATOM 1041 O ARG A 72 -9.662 -24.812 2.807 1.00 11.53 O ATOM 1042 CB ARG A 72 -12.157 -25.372 4.590 1.00 31.31 C ATOM 1043 CG ARG A 72 -12.714 -26.208 5.733 1.00 63.40 C ATOM 1044 CD ARG A 72 -14.018 -26.884 5.315 1.00 33.44 C ATOM 1045 NE ARG A 72 -14.571 -27.767 6.363 1.00 61.34 N ATOM 1046 CZ ARG A 72 -15.790 -28.352 6.317 1.00 54.50 C ATOM 1047 NH1 ARG A 72 -16.614 -28.110 5.287 1.00 52.14 N ATOM 1048 NH2 ARG A 72 -16.178 -29.175 7.303 1.00 65.00 N ATOM 0 H ARG A 72 -11.964 -23.501 6.201 1.00 44.43 H new ATOM 0 HA ARG A 72 -10.132 -25.375 5.293 1.00 53.51 H new ATOM 0 HB2 ARG A 72 -12.902 -24.627 4.311 1.00 31.31 H new ATOM 0 HB3 ARG A 72 -12.015 -26.020 3.725 1.00 31.31 H new ATOM 0 HG2 ARG A 72 -11.985 -26.962 6.029 1.00 63.40 H new ATOM 0 HG3 ARG A 72 -12.888 -25.575 6.603 1.00 63.40 H new ATOM 0 HD2 ARG A 72 -14.754 -26.119 5.066 1.00 33.44 H new ATOM 0 HD3 ARG A 72 -13.845 -27.467 4.410 1.00 33.44 H new ATOM 0 HE ARG A 72 -13.991 -27.949 7.182 1.00 61.34 H new ATOM 0 HH11 ARG A 72 -16.322 -27.484 4.537 1.00 52.14 H new ATOM 0 HH12 ARG A 72 -17.533 -28.552 5.254 1.00 52.14 H new ATOM 0 HH21 ARG A 72 -15.554 -29.360 8.088 1.00 65.00 H new ATOM 0 HH22 ARG A 72 -17.097 -29.616 7.267 1.00 65.00 H new ATOM 1062 N GLU A 73 -10.445 -22.771 3.315 1.00 74.02 N ATOM 1063 CA GLU A 73 -9.888 -22.125 2.114 1.00 41.33 C ATOM 1064 C GLU A 73 -8.368 -22.088 2.203 1.00 41.13 C ATOM 1065 O GLU A 73 -7.671 -22.404 1.245 1.00 62.25 O ATOM 1066 CB GLU A 73 -10.458 -20.701 1.917 1.00 75.24 C ATOM 1067 CG GLU A 73 -11.937 -20.673 1.544 1.00 4.02 C ATOM 1068 CD GLU A 73 -12.533 -19.272 1.509 1.00 34.04 C ATOM 1069 OE1 GLU A 73 -12.393 -18.561 0.475 1.00 61.51 O ATOM 1070 OE2 GLU A 73 -13.166 -18.874 2.515 1.00 15.14 O ATOM 0 H GLU A 73 -10.970 -22.145 3.926 1.00 74.02 H new ATOM 0 HA GLU A 73 -10.181 -22.715 1.245 1.00 41.33 H new ATOM 0 HB2 GLU A 73 -10.314 -20.132 2.836 1.00 75.24 H new ATOM 0 HB3 GLU A 73 -9.887 -20.196 1.137 1.00 75.24 H new ATOM 0 HG2 GLU A 73 -12.065 -21.137 0.566 1.00 4.02 H new ATOM 0 HG3 GLU A 73 -12.495 -21.278 2.259 1.00 4.02 H new ATOM 1077 N LEU A 74 -7.860 -21.757 3.384 1.00 42.45 N ATOM 1078 CA LEU A 74 -6.416 -21.714 3.597 1.00 21.11 C ATOM 1079 C LEU A 74 -5.905 -23.123 3.766 1.00 62.22 C ATOM 1080 O LEU A 74 -4.760 -23.426 3.474 1.00 34.22 O ATOM 1081 CB LEU A 74 -6.045 -20.989 4.890 1.00 12.32 C ATOM 1082 CG LEU A 74 -6.572 -19.602 5.148 1.00 41.31 C ATOM 1083 CD1 LEU A 74 -5.882 -19.023 6.357 1.00 52.12 C ATOM 1084 CD2 LEU A 74 -6.385 -18.704 3.973 1.00 61.51 C ATOM 0 H LEU A 74 -8.419 -21.516 4.203 1.00 42.45 H new ATOM 0 HA LEU A 74 -5.986 -21.197 2.739 1.00 21.11 H new ATOM 0 HB2 LEU A 74 -6.367 -21.619 5.720 1.00 12.32 H new ATOM 0 HB3 LEU A 74 -4.957 -20.937 4.933 1.00 12.32 H new ATOM 0 HG LEU A 74 -7.644 -19.677 5.329 1.00 41.31 H new ATOM 0 HD11 LEU A 74 -6.261 -18.019 6.546 1.00 52.12 H new ATOM 0 HD12 LEU A 74 -6.077 -19.654 7.224 1.00 52.12 H new ATOM 0 HD13 LEU A 74 -4.808 -18.977 6.176 1.00 52.12 H new ATOM 0 HD21 LEU A 74 -6.780 -17.715 4.205 1.00 61.51 H new ATOM 0 HD22 LEU A 74 -5.323 -18.626 3.740 1.00 61.51 H new ATOM 0 HD23 LEU A 74 -6.915 -19.114 3.114 1.00 61.51 H new ATOM 1096 N TYR A 75 -6.776 -23.951 4.288 1.00 20.44 N ATOM 1097 CA TYR A 75 -6.485 -25.313 4.652 1.00 71.13 C ATOM 1098 C TYR A 75 -6.331 -26.190 3.396 1.00 22.34 C ATOM 1099 O TYR A 75 -5.530 -27.113 3.376 1.00 71.53 O ATOM 1100 CB TYR A 75 -7.646 -25.828 5.529 1.00 11.43 C ATOM 1101 CG TYR A 75 -7.282 -26.793 6.559 1.00 62.13 C ATOM 1102 CD1 TYR A 75 -6.474 -27.875 6.308 1.00 44.42 C ATOM 1103 CD2 TYR A 75 -7.742 -26.586 7.818 1.00 12.24 C ATOM 1104 CE1 TYR A 75 -6.138 -28.733 7.307 1.00 42.45 C ATOM 1105 CE2 TYR A 75 -7.427 -27.396 8.825 1.00 21.10 C ATOM 1106 CZ TYR A 75 -6.602 -28.504 8.577 1.00 3.15 C ATOM 1107 OH TYR A 75 -6.221 -29.362 9.574 1.00 42.52 O ATOM 0 H TYR A 75 -7.742 -23.684 4.477 1.00 20.44 H new ATOM 0 HA TYR A 75 -5.545 -25.360 5.202 1.00 71.13 H new ATOM 0 HB2 TYR A 75 -8.120 -24.973 6.010 1.00 11.43 H new ATOM 0 HB3 TYR A 75 -8.393 -26.283 4.879 1.00 11.43 H new ATOM 0 HD1 TYR A 75 -6.103 -28.045 5.308 1.00 44.42 H new ATOM 0 HD2 TYR A 75 -8.383 -25.738 8.009 1.00 12.24 H new ATOM 0 HE1 TYR A 75 -5.511 -29.588 7.102 1.00 42.45 H new ATOM 0 HE2 TYR A 75 -7.801 -27.204 9.820 1.00 21.10 H new ATOM 0 HH TYR A 75 -6.623 -29.078 10.421 1.00 42.52 H new ATOM 1117 N ALA A 76 -7.105 -25.883 2.361 1.00 33.40 N ATOM 1118 CA ALA A 76 -7.074 -26.643 1.113 1.00 74.15 C ATOM 1119 C ALA A 76 -5.767 -26.423 0.372 1.00 40.30 C ATOM 1120 O ALA A 76 -5.244 -27.329 -0.272 1.00 44.15 O ATOM 1121 CB ALA A 76 -8.255 -26.269 0.228 1.00 60.33 C ATOM 0 H ALA A 76 -7.767 -25.107 2.361 1.00 33.40 H new ATOM 0 HA ALA A 76 -7.148 -27.701 1.363 1.00 74.15 H new ATOM 0 HB1 ALA A 76 -8.214 -26.845 -0.696 1.00 60.33 H new ATOM 0 HB2 ALA A 76 -9.186 -26.488 0.751 1.00 60.33 H new ATOM 0 HB3 ALA A 76 -8.212 -25.205 -0.006 1.00 60.33 H new ATOM 1127 N ALA A 77 -5.247 -25.226 0.467 1.00 23.41 N ATOM 1128 CA ALA A 77 -3.998 -24.901 -0.163 1.00 44.14 C ATOM 1129 C ALA A 77 -3.125 -24.108 0.800 1.00 12.31 C ATOM 1130 O ALA A 77 -3.047 -22.875 0.722 1.00 71.41 O ATOM 1131 CB ALA A 77 -4.222 -24.139 -1.466 1.00 21.11 C ATOM 0 H ALA A 77 -5.676 -24.456 0.980 1.00 23.41 H new ATOM 0 HA ALA A 77 -3.481 -25.827 -0.416 1.00 44.14 H new ATOM 0 HB1 ALA A 77 -3.259 -23.906 -1.921 1.00 21.11 H new ATOM 0 HB2 ALA A 77 -4.808 -24.753 -2.150 1.00 21.11 H new ATOM 0 HB3 ALA A 77 -4.759 -23.213 -1.258 1.00 21.11 H new ATOM 1137 N PRO A 78 -2.480 -24.786 1.757 1.00 44.41 N ATOM 1138 CA PRO A 78 -1.689 -24.123 2.751 1.00 2.22 C ATOM 1139 C PRO A 78 -0.290 -23.848 2.258 1.00 30.31 C ATOM 1140 O PRO A 78 0.632 -24.656 2.432 1.00 53.45 O ATOM 1141 CB PRO A 78 -1.673 -25.101 3.932 1.00 74.32 C ATOM 1142 CG PRO A 78 -2.277 -26.384 3.421 1.00 54.12 C ATOM 1143 CD PRO A 78 -2.466 -26.235 1.939 1.00 34.23 C ATOM 0 HA PRO A 78 -2.098 -23.148 3.017 1.00 2.22 H new ATOM 0 HB2 PRO A 78 -0.656 -25.264 4.289 1.00 74.32 H new ATOM 0 HB3 PRO A 78 -2.246 -24.708 4.771 1.00 74.32 H new ATOM 0 HG2 PRO A 78 -1.625 -27.229 3.641 1.00 54.12 H new ATOM 0 HG3 PRO A 78 -3.230 -26.581 3.911 1.00 54.12 H new ATOM 0 HD2 PRO A 78 -1.657 -26.705 1.379 1.00 34.23 H new ATOM 0 HD3 PRO A 78 -3.396 -26.694 1.602 1.00 34.23 H new ATOM 1151 N THR A 79 -0.155 -22.729 1.621 1.00 45.31 N ATOM 1152 CA THR A 79 1.078 -22.249 1.075 1.00 31.45 C ATOM 1153 C THR A 79 1.008 -20.764 1.193 1.00 33.52 C ATOM 1154 O THR A 79 -0.091 -20.221 1.225 1.00 32.02 O ATOM 1155 CB THR A 79 1.216 -22.615 -0.433 1.00 42.44 C ATOM 1156 OG1 THR A 79 0.062 -22.154 -1.142 1.00 21.10 O ATOM 1157 CG2 THR A 79 1.348 -24.107 -0.643 1.00 34.11 C ATOM 0 H THR A 79 -0.937 -22.094 1.459 1.00 45.31 H new ATOM 0 HA THR A 79 1.926 -22.689 1.600 1.00 31.45 H new ATOM 0 HB THR A 79 2.120 -22.134 -0.806 1.00 42.44 H new ATOM 0 HG1 THR A 79 0.250 -22.146 -2.104 1.00 21.10 H new ATOM 0 HG21 THR A 79 1.442 -24.318 -1.708 1.00 34.11 H new ATOM 0 HG22 THR A 79 2.234 -24.471 -0.122 1.00 34.11 H new ATOM 0 HG23 THR A 79 0.464 -24.609 -0.250 1.00 34.11 H new ATOM 1165 N LEU A 80 2.119 -20.099 1.244 1.00 32.12 N ATOM 1166 CA LEU A 80 2.095 -18.663 1.358 1.00 52.15 C ATOM 1167 C LEU A 80 1.619 -18.086 0.001 1.00 74.43 C ATOM 1168 O LEU A 80 0.922 -17.095 -0.041 1.00 20.52 O ATOM 1169 CB LEU A 80 3.496 -18.146 1.760 1.00 15.12 C ATOM 1170 CG LEU A 80 3.552 -16.930 2.709 1.00 23.41 C ATOM 1171 CD1 LEU A 80 4.977 -16.574 3.069 1.00 33.33 C ATOM 1172 CD2 LEU A 80 2.871 -15.724 2.138 1.00 43.02 C ATOM 0 H LEU A 80 3.049 -20.516 1.209 1.00 32.12 H new ATOM 0 HA LEU A 80 1.405 -18.338 2.137 1.00 52.15 H new ATOM 0 HB2 LEU A 80 4.037 -18.967 2.230 1.00 15.12 H new ATOM 0 HB3 LEU A 80 4.036 -17.889 0.849 1.00 15.12 H new ATOM 0 HG LEU A 80 3.016 -17.230 3.609 1.00 23.41 H new ATOM 0 HD11 LEU A 80 4.979 -15.714 3.738 1.00 33.33 H new ATOM 0 HD12 LEU A 80 5.449 -17.421 3.566 1.00 33.33 H new ATOM 0 HD13 LEU A 80 5.531 -16.330 2.163 1.00 33.33 H new ATOM 0 HD21 LEU A 80 2.940 -14.898 2.846 1.00 43.02 H new ATOM 0 HD22 LEU A 80 3.355 -15.442 1.203 1.00 43.02 H new ATOM 0 HD23 LEU A 80 1.822 -15.954 1.949 1.00 43.02 H new ATOM 1184 N ALA A 81 1.940 -18.808 -1.079 1.00 41.01 N ATOM 1185 CA ALA A 81 1.581 -18.433 -2.453 1.00 65.21 C ATOM 1186 C ALA A 81 0.073 -18.429 -2.679 1.00 21.42 C ATOM 1187 O ALA A 81 -0.481 -17.468 -3.225 1.00 21.05 O ATOM 1188 CB ALA A 81 2.242 -19.374 -3.449 1.00 35.22 C ATOM 0 H ALA A 81 2.464 -19.681 -1.023 1.00 41.01 H new ATOM 0 HA ALA A 81 1.943 -17.416 -2.608 1.00 65.21 H new ATOM 0 HB1 ALA A 81 1.966 -19.083 -4.463 1.00 35.22 H new ATOM 0 HB2 ALA A 81 3.325 -19.319 -3.338 1.00 35.22 H new ATOM 0 HB3 ALA A 81 1.909 -20.395 -3.261 1.00 35.22 H new ATOM 1194 N ALA A 82 -0.608 -19.507 -2.273 1.00 32.22 N ATOM 1195 CA ALA A 82 -2.053 -19.567 -2.457 1.00 53.02 C ATOM 1196 C ALA A 82 -2.721 -18.554 -1.587 1.00 34.54 C ATOM 1197 O ALA A 82 -3.697 -17.945 -1.993 1.00 64.22 O ATOM 1198 CB ALA A 82 -2.619 -20.939 -2.180 1.00 11.55 C ATOM 0 H ALA A 82 -0.192 -20.325 -1.828 1.00 32.22 H new ATOM 0 HA ALA A 82 -2.251 -19.345 -3.506 1.00 53.02 H new ATOM 0 HB1 ALA A 82 -3.698 -20.925 -2.333 1.00 11.55 H new ATOM 0 HB2 ALA A 82 -2.166 -21.663 -2.857 1.00 11.55 H new ATOM 0 HB3 ALA A 82 -2.402 -21.221 -1.150 1.00 11.55 H new ATOM 1204 N TRP A 83 -2.174 -18.358 -0.402 1.00 25.15 N ATOM 1205 CA TRP A 83 -2.681 -17.361 0.509 1.00 20.42 C ATOM 1206 C TRP A 83 -2.546 -16.004 -0.106 1.00 23.12 C ATOM 1207 O TRP A 83 -3.499 -15.291 -0.175 1.00 25.11 O ATOM 1208 CB TRP A 83 -1.976 -17.418 1.847 1.00 72.21 C ATOM 1209 CG TRP A 83 -2.333 -18.612 2.671 1.00 32.31 C ATOM 1210 CD1 TRP A 83 -2.950 -19.765 2.262 1.00 74.14 C ATOM 1211 CD2 TRP A 83 -2.095 -18.757 4.048 1.00 45.15 C ATOM 1212 NE1 TRP A 83 -3.081 -20.621 3.305 1.00 1.33 N ATOM 1213 CE2 TRP A 83 -2.580 -20.013 4.427 1.00 40.21 C ATOM 1214 CE3 TRP A 83 -1.515 -17.938 5.002 1.00 55.41 C ATOM 1215 CZ2 TRP A 83 -2.508 -20.462 5.718 1.00 13.03 C ATOM 1216 CZ3 TRP A 83 -1.437 -18.386 6.299 1.00 34.33 C ATOM 1217 CH2 TRP A 83 -1.937 -19.642 6.650 1.00 61.41 C ATOM 0 H TRP A 83 -1.373 -18.882 -0.050 1.00 25.15 H new ATOM 0 HA TRP A 83 -3.735 -17.568 0.693 1.00 20.42 H new ATOM 0 HB2 TRP A 83 -0.899 -17.414 1.679 1.00 72.21 H new ATOM 0 HB3 TRP A 83 -2.214 -16.516 2.411 1.00 72.21 H new ATOM 0 HD1 TRP A 83 -3.284 -19.963 1.254 1.00 74.14 H new ATOM 0 HE1 TRP A 83 -3.483 -21.557 3.262 1.00 1.33 H new ATOM 0 HE3 TRP A 83 -1.131 -16.965 4.732 1.00 55.41 H new ATOM 0 HZ2 TRP A 83 -2.891 -21.434 5.992 1.00 13.03 H new ATOM 0 HZ3 TRP A 83 -0.985 -17.761 7.054 1.00 34.33 H new ATOM 0 HH2 TRP A 83 -1.871 -19.971 7.677 1.00 61.41 H new ATOM 1228 N ASN A 84 -1.355 -15.696 -0.579 1.00 43.21 N ATOM 1229 CA ASN A 84 -1.051 -14.453 -1.318 1.00 43.30 C ATOM 1230 C ASN A 84 -2.096 -14.214 -2.425 1.00 22.14 C ATOM 1231 O ASN A 84 -2.703 -13.134 -2.508 1.00 21.12 O ATOM 1232 CB ASN A 84 0.382 -14.559 -1.892 1.00 31.14 C ATOM 1233 CG ASN A 84 0.841 -13.387 -2.752 1.00 72.24 C ATOM 1234 OD1 ASN A 84 0.343 -12.260 -2.638 1.00 0.11 O ATOM 1235 ND2 ASN A 84 1.862 -13.624 -3.549 1.00 62.21 N ATOM 0 H ASN A 84 -0.544 -16.305 -0.466 1.00 43.21 H new ATOM 0 HA ASN A 84 -1.099 -13.595 -0.648 1.00 43.30 H new ATOM 0 HB2 ASN A 84 1.079 -14.670 -1.061 1.00 31.14 H new ATOM 0 HB3 ASN A 84 0.448 -15.470 -2.487 1.00 31.14 H new ATOM 0 HD21 ASN A 84 2.268 -12.866 -4.097 1.00 62.21 H new ATOM 0 HD22 ASN A 84 2.247 -14.566 -3.618 1.00 62.21 H new ATOM 1242 N GLN A 85 -2.366 -15.254 -3.209 1.00 35.53 N ATOM 1243 CA GLN A 85 -3.382 -15.202 -4.258 1.00 24.35 C ATOM 1244 C GLN A 85 -4.776 -14.912 -3.649 1.00 3.11 C ATOM 1245 O GLN A 85 -5.502 -14.012 -4.101 1.00 4.31 O ATOM 1246 CB GLN A 85 -3.403 -16.528 -5.041 1.00 31.22 C ATOM 1247 CG GLN A 85 -4.397 -16.557 -6.197 1.00 42.52 C ATOM 1248 CD GLN A 85 -4.114 -15.486 -7.237 1.00 4.33 C ATOM 1249 OE1 GLN A 85 -4.607 -14.379 -7.151 1.00 23.14 O ATOM 1250 NE2 GLN A 85 -3.318 -15.814 -8.221 1.00 24.42 N ATOM 0 H GLN A 85 -1.890 -16.153 -3.136 1.00 35.53 H new ATOM 0 HA GLN A 85 -3.133 -14.393 -4.945 1.00 24.35 H new ATOM 0 HB2 GLN A 85 -2.404 -16.722 -5.431 1.00 31.22 H new ATOM 0 HB3 GLN A 85 -3.640 -17.339 -4.353 1.00 31.22 H new ATOM 0 HG2 GLN A 85 -4.367 -17.537 -6.673 1.00 42.52 H new ATOM 0 HG3 GLN A 85 -5.406 -16.422 -5.807 1.00 42.52 H new ATOM 0 HE21 GLN A 85 -2.920 -16.752 -8.264 1.00 24.42 H new ATOM 0 HE22 GLN A 85 -3.095 -15.132 -8.945 1.00 24.42 H new ATOM 1259 N LEU A 86 -5.115 -15.645 -2.599 1.00 72.31 N ATOM 1260 CA LEU A 86 -6.381 -15.485 -1.890 1.00 52.11 C ATOM 1261 C LEU A 86 -6.489 -14.111 -1.233 1.00 62.21 C ATOM 1262 O LEU A 86 -7.561 -13.568 -1.114 1.00 11.01 O ATOM 1263 CB LEU A 86 -6.543 -16.574 -0.817 1.00 2.13 C ATOM 1264 CG LEU A 86 -6.676 -18.015 -1.322 1.00 15.33 C ATOM 1265 CD1 LEU A 86 -6.665 -18.975 -0.163 1.00 4.43 C ATOM 1266 CD2 LEU A 86 -7.958 -18.199 -2.113 1.00 11.33 C ATOM 0 H LEU A 86 -4.516 -16.374 -2.210 1.00 72.31 H new ATOM 0 HA LEU A 86 -7.176 -15.579 -2.629 1.00 52.11 H new ATOM 0 HB2 LEU A 86 -5.684 -16.525 -0.148 1.00 2.13 H new ATOM 0 HB3 LEU A 86 -7.425 -16.338 -0.221 1.00 2.13 H new ATOM 0 HG LEU A 86 -5.828 -18.220 -1.975 1.00 15.33 H new ATOM 0 HD11 LEU A 86 -6.760 -19.995 -0.535 1.00 4.43 H new ATOM 0 HD12 LEU A 86 -5.728 -18.874 0.384 1.00 4.43 H new ATOM 0 HD13 LEU A 86 -7.499 -18.752 0.502 1.00 4.43 H new ATOM 0 HD21 LEU A 86 -8.027 -19.230 -2.459 1.00 11.33 H new ATOM 0 HD22 LEU A 86 -8.814 -17.972 -1.477 1.00 11.33 H new ATOM 0 HD23 LEU A 86 -7.955 -17.527 -2.971 1.00 11.33 H new ATOM 1278 N MET A 87 -5.364 -13.526 -0.893 1.00 34.21 N ATOM 1279 CA MET A 87 -5.331 -12.281 -0.146 1.00 21.15 C ATOM 1280 C MET A 87 -5.565 -11.155 -1.068 1.00 51.01 C ATOM 1281 O MET A 87 -6.224 -10.166 -0.742 1.00 41.01 O ATOM 1282 CB MET A 87 -3.992 -12.060 0.550 1.00 3.21 C ATOM 1283 CG MET A 87 -3.697 -13.000 1.691 1.00 23.32 C ATOM 1284 SD MET A 87 -2.050 -12.745 2.368 1.00 4.14 S ATOM 1285 CE MET A 87 -2.177 -11.045 2.886 1.00 11.12 C ATOM 0 H MET A 87 -4.443 -13.897 -1.125 1.00 34.21 H new ATOM 0 HA MET A 87 -6.108 -12.338 0.616 1.00 21.15 H new ATOM 0 HB2 MET A 87 -3.197 -12.152 -0.190 1.00 3.21 H new ATOM 0 HB3 MET A 87 -3.961 -11.037 0.926 1.00 3.21 H new ATOM 0 HG2 MET A 87 -4.438 -12.858 2.478 1.00 23.32 H new ATOM 0 HG3 MET A 87 -3.791 -14.030 1.346 1.00 23.32 H new ATOM 0 HE1 MET A 87 -1.643 -10.910 3.827 1.00 11.12 H new ATOM 0 HE2 MET A 87 -1.739 -10.399 2.125 1.00 11.12 H new ATOM 0 HE3 MET A 87 -3.226 -10.784 3.024 1.00 11.12 H new ATOM 1295 N LEU A 88 -5.042 -11.309 -2.221 1.00 42.22 N ATOM 1296 CA LEU A 88 -5.165 -10.362 -3.221 1.00 53.35 C ATOM 1297 C LEU A 88 -6.549 -10.409 -3.824 1.00 20.35 C ATOM 1298 O LEU A 88 -7.153 -9.357 -4.059 1.00 43.41 O ATOM 1299 CB LEU A 88 -4.072 -10.594 -4.253 1.00 51.52 C ATOM 1300 CG LEU A 88 -4.384 -10.125 -5.630 1.00 12.31 C ATOM 1301 CD1 LEU A 88 -4.439 -8.592 -5.714 1.00 65.13 C ATOM 1302 CD2 LEU A 88 -3.443 -10.713 -6.654 1.00 21.52 C ATOM 0 H LEU A 88 -4.501 -12.131 -2.490 1.00 42.22 H new ATOM 0 HA LEU A 88 -5.039 -9.360 -2.812 1.00 53.35 H new ATOM 0 HB2 LEU A 88 -3.164 -10.095 -3.914 1.00 51.52 H new ATOM 0 HB3 LEU A 88 -3.853 -11.661 -4.292 1.00 51.52 H new ATOM 0 HG LEU A 88 -5.382 -10.492 -5.871 1.00 12.31 H new ATOM 0 HD11 LEU A 88 -4.669 -8.292 -6.736 1.00 65.13 H new ATOM 0 HD12 LEU A 88 -5.212 -8.218 -5.043 1.00 65.13 H new ATOM 0 HD13 LEU A 88 -3.474 -8.177 -5.423 1.00 65.13 H new ATOM 0 HD21 LEU A 88 -3.707 -10.344 -7.645 1.00 21.52 H new ATOM 0 HD22 LEU A 88 -2.420 -10.420 -6.418 1.00 21.52 H new ATOM 0 HD23 LEU A 88 -3.522 -11.800 -6.639 1.00 21.52 H new ATOM 1314 N SER A 89 -7.052 -11.595 -4.053 1.00 63.25 N ATOM 1315 CA SER A 89 -8.350 -11.721 -4.636 1.00 75.24 C ATOM 1316 C SER A 89 -9.434 -11.285 -3.633 1.00 24.32 C ATOM 1317 O SER A 89 -10.402 -10.627 -4.008 1.00 62.00 O ATOM 1318 CB SER A 89 -8.572 -13.160 -5.099 1.00 41.43 C ATOM 1319 OG SER A 89 -7.560 -13.553 -6.020 1.00 15.34 O ATOM 0 H SER A 89 -6.583 -12.476 -3.845 1.00 63.25 H new ATOM 0 HA SER A 89 -8.418 -11.066 -5.505 1.00 75.24 H new ATOM 0 HB2 SER A 89 -8.568 -13.829 -4.239 1.00 41.43 H new ATOM 0 HB3 SER A 89 -9.552 -13.250 -5.568 1.00 41.43 H new ATOM 0 HG SER A 89 -6.731 -13.745 -5.533 1.00 15.34 H new