USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 80 GLN : amide:sc= 2.06 K(o=3.3,f=1.9) USER MOD Set 1.2: A 102 THR OG1 : rot 112:sc= 1.2 USER MOD Set 2.1: A 30 THR OG1 : rot -162:sc= 2 USER MOD Set 2.2: A 63 TYR OH : rot 135:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 38 GLN : amide:sc= 0.329 K(o=0.33,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 172:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 3:sc= 0.621 USER MOD Single : A 56 SER OG : rot 130:sc= 0.581 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -154:sc= 0 (180deg=-0.543) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -158:sc= 1.15 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= 0.698 (180deg=0.467) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 158:sc= 0 (180deg=-0.57) USER MOD Single : A 85 ASN : amide:sc= 0.369 K(o=0.37,f=-0.44) USER MOD Single : A 86 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -179:sc= -0.277 (180deg=-0.284) USER MOD Single : A 96 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 103 SER OG : rot -131:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 14.988 2.540 4.117 1.00 1.01 N ATOM 28 CA GLN A 29 14.880 1.399 3.205 1.00 1.04 C ATOM 29 C GLN A 29 14.881 0.051 3.933 1.00 0.64 C ATOM 30 O GLN A 29 15.719 -0.209 4.804 1.00 0.77 O ATOM 31 CB GLN A 29 16.040 1.432 2.202 1.00 1.63 C ATOM 32 CG GLN A 29 15.739 2.322 0.991 1.00 2.21 C ATOM 33 CD GLN A 29 16.947 2.457 0.070 1.00 3.95 C ATOM 34 OE1 GLN A 29 17.404 3.550 -0.251 1.00 3.60 O ATOM 35 NE2 GLN A 29 17.484 1.353 -0.399 1.00 6.22 N ATOM 0 HA GLN A 29 13.922 1.491 2.693 1.00 1.04 H new ATOM 0 HB2 GLN A 29 16.939 1.794 2.701 1.00 1.63 H new ATOM 0 HB3 GLN A 29 16.251 0.418 1.861 1.00 1.63 H new ATOM 0 HG2 GLN A 29 14.902 1.904 0.432 1.00 2.21 H new ATOM 0 HG3 GLN A 29 15.432 3.310 1.334 1.00 2.21 H new ATOM 0 HE21 GLN A 29 17.102 0.446 -0.130 1.00 6.22 H new ATOM 0 HE22 GLN A 29 18.283 1.403 -1.031 1.00 6.22 H new ATOM 44 N THR A 30 14.038 -0.858 3.453 1.00 0.60 N ATOM 45 CA THR A 30 14.364 -2.288 3.331 1.00 0.63 C ATOM 46 C THR A 30 14.492 -2.626 1.835 1.00 0.73 C ATOM 47 O THR A 30 14.298 -1.752 0.985 1.00 0.79 O ATOM 48 CB THR A 30 13.307 -3.189 3.977 1.00 0.60 C ATOM 49 OG1 THR A 30 12.087 -2.991 3.326 1.00 0.66 O ATOM 50 CG2 THR A 30 13.117 -2.957 5.470 1.00 0.65 C ATOM 0 H THR A 30 13.098 -0.627 3.132 1.00 0.60 H new ATOM 0 HA THR A 30 15.300 -2.473 3.859 1.00 0.63 H new ATOM 0 HB THR A 30 13.665 -4.213 3.869 1.00 0.60 H new ATOM 0 HG1 THR A 30 11.358 -3.331 3.886 1.00 0.66 H new ATOM 0 HG21 THR A 30 12.352 -3.635 5.849 1.00 0.65 H new ATOM 0 HG22 THR A 30 14.057 -3.144 5.990 1.00 0.65 H new ATOM 0 HG23 THR A 30 12.806 -1.926 5.641 1.00 0.65 H new ATOM 58 N GLU A 31 14.774 -3.872 1.452 1.00 0.84 N ATOM 59 CA GLU A 31 14.542 -4.319 0.072 1.00 0.88 C ATOM 60 C GLU A 31 13.044 -4.476 -0.250 1.00 0.73 C ATOM 61 O GLU A 31 12.635 -4.201 -1.383 1.00 0.66 O ATOM 62 CB GLU A 31 15.318 -5.611 -0.187 1.00 1.02 C ATOM 63 CG GLU A 31 16.806 -5.334 -0.455 1.00 1.17 C ATOM 64 CD GLU A 31 17.032 -4.458 -1.691 1.00 1.98 C ATOM 65 OE1 GLU A 31 16.452 -4.765 -2.763 1.00 3.50 O ATOM 66 OE2 GLU A 31 17.752 -3.437 -1.590 1.00 2.96 O ATOM 0 H GLU A 31 15.160 -4.586 2.069 1.00 0.84 H new ATOM 0 HA GLU A 31 14.911 -3.546 -0.602 1.00 0.88 H new ATOM 0 HB2 GLU A 31 15.220 -6.273 0.673 1.00 1.02 H new ATOM 0 HB3 GLU A 31 14.885 -6.131 -1.041 1.00 1.02 H new ATOM 0 HG2 GLU A 31 17.243 -4.846 0.416 1.00 1.17 H new ATOM 0 HG3 GLU A 31 17.330 -6.281 -0.585 1.00 1.17 H new ATOM 73 N GLY A 32 12.218 -4.828 0.744 1.00 0.69 N ATOM 74 CA GLY A 32 10.759 -4.883 0.624 1.00 0.55 C ATOM 75 C GLY A 32 10.128 -3.529 0.297 1.00 0.44 C ATOM 76 O GLY A 32 9.268 -3.452 -0.572 1.00 0.39 O ATOM 0 H GLY A 32 12.554 -5.087 1.672 1.00 0.69 H new ATOM 0 HA2 GLY A 32 10.492 -5.598 -0.154 1.00 0.55 H new ATOM 0 HA3 GLY A 32 10.338 -5.256 1.558 1.00 0.55 H new ATOM 80 N GLU A 33 10.596 -2.442 0.912 1.00 0.47 N ATOM 81 CA GLU A 33 10.096 -1.079 0.714 1.00 0.45 C ATOM 82 C GLU A 33 10.093 -0.650 -0.766 1.00 0.44 C ATOM 83 O GLU A 33 9.103 -0.111 -1.272 1.00 0.40 O ATOM 84 CB GLU A 33 10.975 -0.163 1.589 1.00 0.53 C ATOM 85 CG GLU A 33 10.239 1.051 2.140 1.00 0.49 C ATOM 86 CD GLU A 33 10.192 2.268 1.211 1.00 0.55 C ATOM 87 OE1 GLU A 33 9.571 3.276 1.615 1.00 1.30 O ATOM 88 OE2 GLU A 33 10.867 2.310 0.157 1.00 1.52 O ATOM 0 H GLU A 33 11.361 -2.487 1.586 1.00 0.47 H new ATOM 0 HA GLU A 33 9.049 -1.013 1.011 1.00 0.45 H new ATOM 0 HB2 GLU A 33 11.373 -0.744 2.421 1.00 0.53 H new ATOM 0 HB3 GLU A 33 11.828 0.177 1.001 1.00 0.53 H new ATOM 0 HG2 GLU A 33 9.217 0.758 2.379 1.00 0.49 H new ATOM 0 HG3 GLU A 33 10.712 1.348 3.076 1.00 0.49 H new ATOM 95 N LEU A 34 11.168 -0.993 -1.488 1.00 0.51 N ATOM 96 CA LEU A 34 11.350 -0.735 -2.915 1.00 0.54 C ATOM 97 C LEU A 34 10.404 -1.582 -3.756 1.00 0.43 C ATOM 98 O LEU A 34 9.685 -1.055 -4.604 1.00 0.43 O ATOM 99 CB LEU A 34 12.794 -1.072 -3.321 1.00 0.67 C ATOM 100 CG LEU A 34 13.882 -0.531 -2.392 1.00 0.71 C ATOM 101 CD1 LEU A 34 15.261 -0.891 -2.941 1.00 0.85 C ATOM 102 CD2 LEU A 34 13.790 0.985 -2.226 1.00 0.74 C ATOM 0 H LEU A 34 11.964 -1.477 -1.073 1.00 0.51 H new ATOM 0 HA LEU A 34 11.136 0.319 -3.092 1.00 0.54 H new ATOM 0 HB2 LEU A 34 12.894 -2.156 -3.376 1.00 0.67 H new ATOM 0 HB3 LEU A 34 12.971 -0.684 -4.324 1.00 0.67 H new ATOM 0 HG LEU A 34 13.732 -0.990 -1.415 1.00 0.71 H new ATOM 0 HD11 LEU A 34 16.031 -0.502 -2.274 1.00 0.85 H new ATOM 0 HD12 LEU A 34 15.354 -1.975 -3.010 1.00 0.85 H new ATOM 0 HD13 LEU A 34 15.384 -0.453 -3.931 1.00 0.85 H new ATOM 0 HD21 LEU A 34 14.581 1.327 -1.559 1.00 0.74 H new ATOM 0 HD22 LEU A 34 13.903 1.465 -3.198 1.00 0.74 H new ATOM 0 HD23 LEU A 34 12.820 1.246 -1.803 1.00 0.74 H new ATOM 114 N ARG A 35 10.398 -2.891 -3.480 1.00 0.40 N ATOM 115 CA ARG A 35 9.590 -3.914 -4.160 1.00 0.36 C ATOM 116 C ARG A 35 8.106 -3.569 -4.077 1.00 0.28 C ATOM 117 O ARG A 35 7.416 -3.518 -5.091 1.00 0.28 O ATOM 118 CB ARG A 35 9.893 -5.284 -3.520 1.00 0.45 C ATOM 119 CG ARG A 35 8.955 -6.401 -4.016 1.00 0.48 C ATOM 120 CD ARG A 35 9.683 -7.561 -4.714 1.00 0.75 C ATOM 121 NE ARG A 35 10.112 -8.595 -3.756 1.00 1.43 N ATOM 122 CZ ARG A 35 11.278 -8.746 -3.159 1.00 2.14 C ATOM 123 NH1 ARG A 35 12.327 -8.021 -3.412 1.00 2.71 N ATOM 124 NH2 ARG A 35 11.374 -9.667 -2.252 1.00 2.96 N ATOM 0 H ARG A 35 10.982 -3.286 -2.743 1.00 0.40 H new ATOM 0 HA ARG A 35 9.847 -3.952 -5.219 1.00 0.36 H new ATOM 0 HB2 ARG A 35 10.925 -5.560 -3.738 1.00 0.45 H new ATOM 0 HB3 ARG A 35 9.807 -5.200 -2.437 1.00 0.45 H new ATOM 0 HG2 ARG A 35 8.394 -6.794 -3.168 1.00 0.48 H new ATOM 0 HG3 ARG A 35 8.229 -5.972 -4.707 1.00 0.48 H new ATOM 0 HD2 ARG A 35 9.024 -8.007 -5.459 1.00 0.75 H new ATOM 0 HD3 ARG A 35 10.553 -7.176 -5.247 1.00 0.75 H new ATOM 0 HE ARG A 35 9.407 -9.293 -3.521 1.00 1.43 H new ATOM 0 HH11 ARG A 35 12.278 -7.280 -4.111 1.00 2.71 H new ATOM 0 HH12 ARG A 35 13.199 -8.193 -2.911 1.00 2.71 H new ATOM 0 HH21 ARG A 35 10.564 -10.244 -2.023 1.00 2.96 H new ATOM 0 HH22 ARG A 35 12.259 -9.815 -1.767 1.00 2.96 H new ATOM 138 N VAL A 36 7.635 -3.275 -2.869 1.00 0.25 N ATOM 139 CA VAL A 36 6.260 -2.869 -2.604 1.00 0.21 C ATOM 140 C VAL A 36 5.981 -1.584 -3.382 1.00 0.27 C ATOM 141 O VAL A 36 4.998 -1.529 -4.117 1.00 0.31 O ATOM 142 CB VAL A 36 6.027 -2.665 -1.090 1.00 0.22 C ATOM 143 CG1 VAL A 36 4.666 -2.022 -0.794 1.00 0.27 C ATOM 144 CG2 VAL A 36 6.088 -3.998 -0.329 1.00 0.22 C ATOM 0 H VAL A 36 8.212 -3.313 -2.029 1.00 0.25 H new ATOM 0 HA VAL A 36 5.574 -3.651 -2.929 1.00 0.21 H new ATOM 0 HB VAL A 36 6.824 -2.001 -0.757 1.00 0.22 H new ATOM 0 HG11 VAL A 36 4.548 -1.899 0.283 1.00 0.27 H new ATOM 0 HG12 VAL A 36 4.611 -1.047 -1.279 1.00 0.27 H new ATOM 0 HG13 VAL A 36 3.870 -2.662 -1.175 1.00 0.27 H new ATOM 0 HG21 VAL A 36 5.920 -3.819 0.733 1.00 0.22 H new ATOM 0 HG22 VAL A 36 5.319 -4.670 -0.710 1.00 0.22 H new ATOM 0 HG23 VAL A 36 7.069 -4.453 -0.470 1.00 0.22 H new ATOM 154 N THR A 37 6.882 -0.589 -3.314 1.00 0.34 N ATOM 155 CA THR A 37 6.700 0.675 -4.041 1.00 0.42 C ATOM 156 C THR A 37 6.570 0.473 -5.545 1.00 0.43 C ATOM 157 O THR A 37 5.743 1.129 -6.170 1.00 0.53 O ATOM 158 CB THR A 37 7.828 1.679 -3.767 1.00 0.50 C ATOM 159 OG1 THR A 37 7.945 2.025 -2.406 1.00 0.48 O ATOM 160 CG2 THR A 37 7.704 2.998 -4.534 1.00 0.65 C ATOM 0 H THR A 37 7.740 -0.637 -2.765 1.00 0.34 H new ATOM 0 HA THR A 37 5.764 1.085 -3.661 1.00 0.42 H new ATOM 0 HB THR A 37 8.708 1.135 -4.111 1.00 0.50 H new ATOM 0 HG1 THR A 37 8.577 1.418 -1.967 1.00 0.48 H new ATOM 0 HG21 THR A 37 8.542 3.647 -4.280 1.00 0.65 H new ATOM 0 HG22 THR A 37 7.712 2.798 -5.605 1.00 0.65 H new ATOM 0 HG23 THR A 37 6.770 3.490 -4.263 1.00 0.65 H new ATOM 168 N GLN A 38 7.332 -0.452 -6.129 1.00 0.37 N ATOM 169 CA GLN A 38 7.284 -0.723 -7.567 1.00 0.35 C ATOM 170 C GLN A 38 5.920 -1.252 -8.013 1.00 0.34 C ATOM 171 O GLN A 38 5.414 -0.850 -9.063 1.00 0.44 O ATOM 172 CB GLN A 38 8.360 -1.744 -7.958 1.00 0.36 C ATOM 173 CG GLN A 38 9.824 -1.288 -7.852 1.00 0.64 C ATOM 174 CD GLN A 38 10.030 0.222 -7.915 1.00 0.68 C ATOM 175 OE1 GLN A 38 10.022 0.831 -8.975 1.00 1.70 O ATOM 176 NE2 GLN A 38 10.172 0.880 -6.787 1.00 0.68 N ATOM 0 H GLN A 38 7.998 -1.033 -5.621 1.00 0.37 H new ATOM 0 HA GLN A 38 7.465 0.228 -8.068 1.00 0.35 H new ATOM 0 HB2 GLN A 38 8.234 -2.627 -7.331 1.00 0.36 H new ATOM 0 HB3 GLN A 38 8.175 -2.054 -8.986 1.00 0.36 H new ATOM 0 HG2 GLN A 38 10.238 -1.658 -6.914 1.00 0.64 H new ATOM 0 HG3 GLN A 38 10.394 -1.752 -8.657 1.00 0.64 H new ATOM 0 HE21 GLN A 38 10.179 0.376 -5.900 1.00 0.68 H new ATOM 0 HE22 GLN A 38 10.275 1.895 -6.798 1.00 0.68 H new ATOM 185 N ILE A 39 5.311 -2.127 -7.214 1.00 0.32 N ATOM 186 CA ILE A 39 4.046 -2.781 -7.570 1.00 0.33 C ATOM 187 C ILE A 39 2.855 -1.865 -7.263 1.00 0.34 C ATOM 188 O ILE A 39 1.850 -1.879 -7.977 1.00 0.35 O ATOM 189 CB ILE A 39 3.946 -4.136 -6.854 1.00 0.37 C ATOM 190 CG1 ILE A 39 5.154 -5.045 -7.158 1.00 0.32 C ATOM 191 CG2 ILE A 39 2.654 -4.834 -7.301 1.00 0.42 C ATOM 192 CD1 ILE A 39 5.337 -6.137 -6.106 1.00 0.67 C ATOM 0 H ILE A 39 5.677 -2.404 -6.303 1.00 0.32 H new ATOM 0 HA ILE A 39 4.022 -2.971 -8.643 1.00 0.33 H new ATOM 0 HB ILE A 39 3.938 -3.954 -5.779 1.00 0.37 H new ATOM 0 HG12 ILE A 39 5.022 -5.505 -8.137 1.00 0.32 H new ATOM 0 HG13 ILE A 39 6.058 -4.439 -7.210 1.00 0.32 H new ATOM 0 HG21 ILE A 39 2.569 -5.798 -6.800 1.00 0.42 H new ATOM 0 HG22 ILE A 39 1.796 -4.214 -7.041 1.00 0.42 H new ATOM 0 HG23 ILE A 39 2.677 -4.986 -8.380 1.00 0.42 H new ATOM 0 HD11 ILE A 39 6.200 -6.750 -6.365 1.00 0.67 H new ATOM 0 HD12 ILE A 39 5.497 -5.679 -5.130 1.00 0.67 H new ATOM 0 HD13 ILE A 39 4.445 -6.762 -6.072 1.00 0.67 H new ATOM 204 N LEU A 40 2.994 -0.980 -6.271 1.00 0.36 N ATOM 205 CA LEU A 40 2.045 0.109 -6.046 1.00 0.43 C ATOM 206 C LEU A 40 1.827 0.975 -7.292 1.00 0.41 C ATOM 207 O LEU A 40 0.690 1.344 -7.581 1.00 0.47 O ATOM 208 CB LEU A 40 2.526 0.965 -4.862 1.00 0.53 C ATOM 209 CG LEU A 40 2.257 0.333 -3.486 1.00 0.60 C ATOM 210 CD1 LEU A 40 2.442 1.408 -2.421 1.00 0.72 C ATOM 211 CD2 LEU A 40 0.867 -0.284 -3.306 1.00 0.54 C ATOM 0 H LEU A 40 3.766 -1.000 -5.605 1.00 0.36 H new ATOM 0 HA LEU A 40 1.077 -0.336 -5.813 1.00 0.43 H new ATOM 0 HB2 LEU A 40 3.596 1.143 -4.966 1.00 0.53 H new ATOM 0 HB3 LEU A 40 2.035 1.937 -4.906 1.00 0.53 H new ATOM 0 HG LEU A 40 2.964 -0.492 -3.395 1.00 0.60 H new ATOM 0 HD11 LEU A 40 2.256 0.980 -1.436 1.00 0.72 H new ATOM 0 HD12 LEU A 40 3.462 1.791 -2.463 1.00 0.72 H new ATOM 0 HD13 LEU A 40 1.741 2.223 -2.601 1.00 0.72 H new ATOM 0 HD21 LEU A 40 0.781 -0.701 -2.303 1.00 0.54 H new ATOM 0 HD22 LEU A 40 0.107 0.485 -3.445 1.00 0.54 H new ATOM 0 HD23 LEU A 40 0.722 -1.075 -4.042 1.00 0.54 H new ATOM 223 N LYS A 41 2.880 1.230 -8.075 1.00 0.38 N ATOM 224 CA LYS A 41 2.793 2.021 -9.318 1.00 0.42 C ATOM 225 C LYS A 41 1.904 1.409 -10.385 1.00 0.38 C ATOM 226 O LYS A 41 1.439 2.111 -11.275 1.00 0.52 O ATOM 227 CB LYS A 41 4.165 2.255 -9.954 1.00 0.52 C ATOM 228 CG LYS A 41 5.171 2.707 -8.915 1.00 0.75 C ATOM 229 CD LYS A 41 6.338 3.458 -9.547 1.00 1.21 C ATOM 230 CE LYS A 41 7.458 3.636 -8.521 1.00 1.63 C ATOM 231 NZ LYS A 41 8.556 4.460 -9.072 1.00 2.13 N ATOM 0 H LYS A 41 3.821 0.895 -7.869 1.00 0.38 H new ATOM 0 HA LYS A 41 2.351 2.961 -8.987 1.00 0.42 H new ATOM 0 HB2 LYS A 41 4.512 1.337 -10.427 1.00 0.52 H new ATOM 0 HB3 LYS A 41 4.083 3.007 -10.739 1.00 0.52 H new ATOM 0 HG2 LYS A 41 4.677 3.350 -8.186 1.00 0.75 H new ATOM 0 HG3 LYS A 41 5.548 1.840 -8.372 1.00 0.75 H new ATOM 0 HD2 LYS A 41 6.709 2.909 -10.412 1.00 1.21 H new ATOM 0 HD3 LYS A 41 6.004 4.431 -9.906 1.00 1.21 H new ATOM 0 HE2 LYS A 41 7.061 4.107 -7.622 1.00 1.63 H new ATOM 0 HE3 LYS A 41 7.844 2.660 -8.226 1.00 1.63 H new ATOM 0 HZ1 LYS A 41 9.303 4.566 -8.357 1.00 2.13 H new ATOM 0 HZ2 LYS A 41 8.948 3.996 -9.916 1.00 2.13 H new ATOM 0 HZ3 LYS A 41 8.190 5.398 -9.331 1.00 2.13 H new ATOM 245 N GLU A 42 1.737 0.097 -10.344 1.00 0.30 N ATOM 246 CA GLU A 42 1.155 -0.727 -11.364 1.00 0.34 C ATOM 247 C GLU A 42 -0.239 -1.219 -11.029 1.00 0.32 C ATOM 248 O GLU A 42 -1.082 -1.357 -11.924 1.00 0.35 O ATOM 249 CB GLU A 42 2.083 -1.902 -11.424 1.00 0.39 C ATOM 250 CG GLU A 42 3.435 -1.658 -12.063 1.00 0.58 C ATOM 251 CD GLU A 42 4.413 -2.843 -12.058 1.00 1.07 C ATOM 252 OE1 GLU A 42 5.613 -2.604 -12.342 1.00 2.49 O ATOM 253 OE2 GLU A 42 4.010 -4.015 -11.855 1.00 1.71 O ATOM 0 H GLU A 42 2.029 -0.449 -9.534 1.00 0.30 H new ATOM 0 HA GLU A 42 1.045 -0.170 -12.294 1.00 0.34 H new ATOM 0 HB2 GLU A 42 2.245 -2.262 -10.408 1.00 0.39 H new ATOM 0 HB3 GLU A 42 1.586 -2.703 -11.971 1.00 0.39 H new ATOM 0 HG2 GLU A 42 3.275 -1.351 -13.096 1.00 0.58 H new ATOM 0 HG3 GLU A 42 3.909 -0.821 -11.551 1.00 0.58 H new ATOM 260 N LYS A 43 -0.513 -1.436 -9.738 1.00 0.30 N ATOM 261 CA LYS A 43 -1.887 -1.578 -9.299 1.00 0.32 C ATOM 262 C LYS A 43 -2.590 -0.229 -9.201 1.00 0.36 C ATOM 263 O LYS A 43 -3.808 -0.180 -9.390 1.00 0.44 O ATOM 264 CB LYS A 43 -1.996 -2.421 -8.021 1.00 0.30 C ATOM 265 CG LYS A 43 -1.402 -3.837 -8.083 1.00 0.35 C ATOM 266 CD LYS A 43 -1.970 -4.657 -9.247 1.00 0.53 C ATOM 267 CE LYS A 43 -1.155 -5.898 -9.612 1.00 0.80 C ATOM 268 NZ LYS A 43 -1.502 -6.331 -10.987 1.00 1.46 N ATOM 0 H LYS A 43 0.187 -1.514 -9.001 1.00 0.30 H new ATOM 0 HA LYS A 43 -2.423 -2.138 -10.065 1.00 0.32 H new ATOM 0 HB2 LYS A 43 -1.505 -1.880 -7.212 1.00 0.30 H new ATOM 0 HB3 LYS A 43 -3.050 -2.504 -7.756 1.00 0.30 H new ATOM 0 HG2 LYS A 43 -0.319 -3.770 -8.184 1.00 0.35 H new ATOM 0 HG3 LYS A 43 -1.604 -4.354 -7.145 1.00 0.35 H new ATOM 0 HD2 LYS A 43 -2.984 -4.966 -8.995 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -2.042 -4.015 -10.125 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.089 -5.678 -9.547 1.00 0.80 H new ATOM 0 HE3 LYS A 43 -1.359 -6.701 -8.904 1.00 0.80 H new ATOM 0 HZ1 LYS A 43 -0.948 -7.175 -11.235 1.00 1.46 H new ATOM 0 HZ2 LYS A 43 -2.516 -6.556 -11.034 1.00 1.46 H new ATOM 0 HZ3 LYS A 43 -1.286 -5.565 -11.657 1.00 1.46 H new ATOM 282 N PHE A 44 -1.824 0.854 -9.010 1.00 0.35 N ATOM 283 CA PHE A 44 -2.366 2.207 -8.862 1.00 0.39 C ATOM 284 C PHE A 44 -1.735 3.354 -9.703 1.00 0.45 C ATOM 285 O PHE A 44 -1.472 4.442 -9.181 1.00 0.43 O ATOM 286 CB PHE A 44 -2.495 2.521 -7.357 1.00 0.35 C ATOM 287 CG PHE A 44 -3.174 1.446 -6.521 1.00 0.31 C ATOM 288 CD1 PHE A 44 -4.579 1.372 -6.487 1.00 1.46 C ATOM 289 CD2 PHE A 44 -2.410 0.494 -5.812 1.00 1.55 C ATOM 290 CE1 PHE A 44 -5.215 0.349 -5.765 1.00 1.49 C ATOM 291 CE2 PHE A 44 -3.046 -0.539 -5.100 1.00 1.53 C ATOM 292 CZ PHE A 44 -4.449 -0.608 -5.081 1.00 0.30 C ATOM 0 H PHE A 44 -0.806 0.813 -8.954 1.00 0.35 H new ATOM 0 HA PHE A 44 -3.347 2.183 -9.336 1.00 0.39 H new ATOM 0 HB2 PHE A 44 -1.498 2.695 -6.953 1.00 0.35 H new ATOM 0 HB3 PHE A 44 -3.052 3.451 -7.244 1.00 0.35 H new ATOM 0 HD1 PHE A 44 -5.170 2.104 -7.018 1.00 1.46 H new ATOM 0 HD2 PHE A 44 -1.332 0.559 -5.816 1.00 1.55 H new ATOM 0 HE1 PHE A 44 -6.293 0.299 -5.736 1.00 1.49 H new ATOM 0 HE2 PHE A 44 -2.459 -1.275 -4.571 1.00 1.53 H new ATOM 0 HZ PHE A 44 -4.941 -1.401 -4.537 1.00 0.30 H new ATOM 302 N PRO A 45 -1.559 3.190 -11.029 1.00 0.55 N ATOM 303 CA PRO A 45 -1.050 4.223 -11.950 1.00 0.66 C ATOM 304 C PRO A 45 -1.991 5.417 -12.168 1.00 0.71 C ATOM 305 O PRO A 45 -1.573 6.436 -12.727 1.00 0.83 O ATOM 306 CB PRO A 45 -0.799 3.499 -13.280 1.00 0.73 C ATOM 307 CG PRO A 45 -1.794 2.345 -13.228 1.00 0.66 C ATOM 308 CD PRO A 45 -1.775 1.959 -11.761 1.00 0.52 C ATOM 0 HA PRO A 45 -0.154 4.668 -11.517 1.00 0.66 H new ATOM 0 HB2 PRO A 45 -0.979 4.150 -14.135 1.00 0.73 H new ATOM 0 HB3 PRO A 45 0.229 3.144 -13.360 1.00 0.73 H new ATOM 0 HG2 PRO A 45 -2.788 2.652 -13.554 1.00 0.66 H new ATOM 0 HG3 PRO A 45 -1.489 1.518 -13.869 1.00 0.66 H new ATOM 0 HD2 PRO A 45 -2.715 1.490 -11.468 1.00 0.52 H new ATOM 0 HD3 PRO A 45 -0.982 1.239 -11.557 1.00 0.52 H new ATOM 316 N ARG A 46 -3.260 5.326 -11.751 1.00 0.69 N ATOM 317 CA ARG A 46 -4.230 6.426 -11.814 1.00 0.73 C ATOM 318 C ARG A 46 -4.410 7.159 -10.477 1.00 0.45 C ATOM 319 O ARG A 46 -5.068 8.200 -10.436 1.00 0.56 O ATOM 320 CB ARG A 46 -5.544 5.917 -12.391 1.00 1.04 C ATOM 321 CG ARG A 46 -5.317 5.215 -13.737 1.00 1.45 C ATOM 322 CD ARG A 46 -6.662 4.931 -14.382 1.00 1.59 C ATOM 323 NE ARG A 46 -6.530 3.853 -15.376 1.00 2.66 N ATOM 324 CZ ARG A 46 -7.316 2.812 -15.559 1.00 3.87 C ATOM 325 NH1 ARG A 46 -8.457 2.662 -14.965 1.00 4.79 N ATOM 326 NH2 ARG A 46 -6.940 1.875 -16.369 1.00 4.91 N ATOM 0 H ARG A 46 -3.648 4.471 -11.353 1.00 0.69 H new ATOM 0 HA ARG A 46 -3.829 7.186 -12.485 1.00 0.73 H new ATOM 0 HB2 ARG A 46 -6.010 5.225 -11.690 1.00 1.04 H new ATOM 0 HB3 ARG A 46 -6.235 6.750 -12.523 1.00 1.04 H new ATOM 0 HG2 ARG A 46 -4.711 5.842 -14.391 1.00 1.45 H new ATOM 0 HG3 ARG A 46 -4.767 4.286 -13.588 1.00 1.45 H new ATOM 0 HD2 ARG A 46 -7.387 4.646 -13.619 1.00 1.59 H new ATOM 0 HD3 ARG A 46 -7.042 5.833 -14.861 1.00 1.59 H new ATOM 0 HE ARG A 46 -5.728 3.921 -16.003 1.00 2.66 H new ATOM 0 HH11 ARG A 46 -8.791 3.373 -14.314 1.00 4.79 H new ATOM 0 HH12 ARG A 46 -9.022 1.833 -15.148 1.00 4.79 H new ATOM 0 HH21 ARG A 46 -6.046 1.949 -16.855 1.00 4.91 H new ATOM 0 HH22 ARG A 46 -7.537 1.062 -16.521 1.00 4.91 H new ATOM 340 N ALA A 47 -3.803 6.660 -9.399 1.00 0.26 N ATOM 341 CA ALA A 47 -3.816 7.270 -8.072 1.00 0.27 C ATOM 342 C ALA A 47 -3.155 8.652 -8.038 1.00 0.34 C ATOM 343 O ALA A 47 -2.097 8.866 -8.637 1.00 0.70 O ATOM 344 CB ALA A 47 -3.157 6.313 -7.079 1.00 0.51 C ATOM 0 H ALA A 47 -3.271 5.790 -9.429 1.00 0.26 H new ATOM 0 HA ALA A 47 -4.855 7.439 -7.790 1.00 0.27 H new ATOM 0 HB1 ALA A 47 -3.162 6.760 -6.085 1.00 0.51 H new ATOM 0 HB2 ALA A 47 -3.710 5.374 -7.057 1.00 0.51 H new ATOM 0 HB3 ALA A 47 -2.129 6.122 -7.386 1.00 0.51 H new ATOM 350 N THR A 48 -3.762 9.568 -7.286 1.00 0.22 N ATOM 351 CA THR A 48 -3.272 10.927 -7.050 1.00 0.25 C ATOM 352 C THR A 48 -2.104 10.882 -6.057 1.00 0.40 C ATOM 353 O THR A 48 -1.115 11.591 -6.245 1.00 0.75 O ATOM 354 CB THR A 48 -4.407 11.817 -6.517 1.00 0.46 C ATOM 355 OG1 THR A 48 -4.742 11.340 -5.247 1.00 0.76 O ATOM 356 CG2 THR A 48 -5.690 11.758 -7.358 1.00 0.89 C ATOM 0 H THR A 48 -4.642 9.378 -6.806 1.00 0.22 H new ATOM 0 HA THR A 48 -2.921 11.354 -7.989 1.00 0.25 H new ATOM 0 HB THR A 48 -4.045 12.845 -6.532 1.00 0.46 H new ATOM 0 HG1 THR A 48 -5.376 11.956 -4.823 1.00 0.76 H new ATOM 0 HG21 THR A 48 -6.443 12.412 -6.919 1.00 0.89 H new ATOM 0 HG22 THR A 48 -5.474 12.085 -8.375 1.00 0.89 H new ATOM 0 HG23 THR A 48 -6.065 10.735 -7.378 1.00 0.89 H new ATOM 364 N ALA A 49 -2.154 9.972 -5.073 1.00 0.30 N ATOM 365 CA ALA A 49 -1.052 9.681 -4.154 1.00 0.31 C ATOM 366 C ALA A 49 -0.675 8.187 -4.170 1.00 0.28 C ATOM 367 O ALA A 49 -1.573 7.346 -4.153 1.00 0.23 O ATOM 368 CB ALA A 49 -1.483 10.142 -2.755 1.00 0.35 C ATOM 0 H ALA A 49 -2.983 9.406 -4.893 1.00 0.30 H new ATOM 0 HA ALA A 49 -0.155 10.216 -4.465 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -0.683 9.940 -2.043 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -1.691 11.212 -2.773 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.381 9.602 -2.455 1.00 0.35 H new ATOM 374 N ILE A 50 0.627 7.859 -4.154 1.00 0.34 N ATOM 375 CA ILE A 50 1.174 6.525 -3.827 1.00 0.28 C ATOM 376 C ILE A 50 2.569 6.601 -3.195 1.00 0.32 C ATOM 377 O ILE A 50 3.521 7.038 -3.839 1.00 0.38 O ATOM 378 CB ILE A 50 1.236 5.551 -5.035 1.00 0.41 C ATOM 379 CG1 ILE A 50 1.585 6.236 -6.377 1.00 0.58 C ATOM 380 CG2 ILE A 50 -0.043 4.712 -5.141 1.00 0.37 C ATOM 381 CD1 ILE A 50 1.937 5.239 -7.490 1.00 0.80 C ATOM 0 H ILE A 50 1.356 8.537 -4.376 1.00 0.34 H new ATOM 0 HA ILE A 50 0.461 6.126 -3.105 1.00 0.28 H new ATOM 0 HB ILE A 50 2.069 4.879 -4.831 1.00 0.41 H new ATOM 0 HG12 ILE A 50 0.740 6.845 -6.697 1.00 0.58 H new ATOM 0 HG13 ILE A 50 2.426 6.913 -6.225 1.00 0.58 H new ATOM 0 HG21 ILE A 50 0.032 4.041 -5.996 1.00 0.37 H new ATOM 0 HG22 ILE A 50 -0.171 4.127 -4.230 1.00 0.37 H new ATOM 0 HG23 ILE A 50 -0.901 5.371 -5.272 1.00 0.37 H new ATOM 0 HD11 ILE A 50 2.172 5.783 -8.405 1.00 0.80 H new ATOM 0 HD12 ILE A 50 2.801 4.647 -7.188 1.00 0.80 H new ATOM 0 HD13 ILE A 50 1.089 4.578 -7.668 1.00 0.80 H new ATOM 393 N LYS A 51 2.722 6.124 -1.951 1.00 0.32 N ATOM 394 CA LYS A 51 4.002 6.078 -1.220 1.00 0.38 C ATOM 395 C LYS A 51 4.029 5.063 -0.074 1.00 0.31 C ATOM 396 O LYS A 51 2.981 4.671 0.435 1.00 0.30 O ATOM 397 CB LYS A 51 4.381 7.482 -0.738 1.00 0.48 C ATOM 398 CG LYS A 51 3.270 8.262 -0.008 1.00 0.57 C ATOM 399 CD LYS A 51 3.495 9.768 -0.151 1.00 0.89 C ATOM 400 CE LYS A 51 3.248 10.224 -1.598 1.00 1.25 C ATOM 401 NZ LYS A 51 3.458 11.683 -1.748 1.00 1.76 N ATOM 0 H LYS A 51 1.942 5.750 -1.410 1.00 0.32 H new ATOM 0 HA LYS A 51 4.753 5.724 -1.926 1.00 0.38 H new ATOM 0 HB2 LYS A 51 5.239 7.398 -0.070 1.00 0.48 H new ATOM 0 HB3 LYS A 51 4.704 8.067 -1.599 1.00 0.48 H new ATOM 0 HG2 LYS A 51 2.297 7.992 -0.419 1.00 0.57 H new ATOM 0 HG3 LYS A 51 3.257 7.988 1.047 1.00 0.57 H new ATOM 0 HD2 LYS A 51 2.828 10.305 0.523 1.00 0.89 H new ATOM 0 HD3 LYS A 51 4.514 10.017 0.144 1.00 0.89 H new ATOM 0 HE2 LYS A 51 3.918 9.687 -2.270 1.00 1.25 H new ATOM 0 HE3 LYS A 51 2.230 9.969 -1.893 1.00 1.25 H new ATOM 0 HZ1 LYS A 51 3.284 11.959 -2.735 1.00 1.76 H new ATOM 0 HZ2 LYS A 51 2.801 12.194 -1.124 1.00 1.76 H new ATOM 0 HZ3 LYS A 51 4.437 11.921 -1.490 1.00 1.76 H new ATOM 415 N VAL A 52 5.242 4.659 0.312 1.00 0.28 N ATOM 416 CA VAL A 52 5.575 3.619 1.306 1.00 0.25 C ATOM 417 C VAL A 52 6.521 4.168 2.381 1.00 0.23 C ATOM 418 O VAL A 52 7.236 5.148 2.152 1.00 0.47 O ATOM 419 CB VAL A 52 6.198 2.374 0.611 1.00 0.33 C ATOM 420 CG1 VAL A 52 6.302 1.150 1.535 1.00 0.34 C ATOM 421 CG2 VAL A 52 5.408 1.902 -0.621 1.00 0.44 C ATOM 0 H VAL A 52 6.083 5.077 -0.087 1.00 0.28 H new ATOM 0 HA VAL A 52 4.650 3.313 1.795 1.00 0.25 H new ATOM 0 HB VAL A 52 7.188 2.728 0.323 1.00 0.33 H new ATOM 0 HG11 VAL A 52 6.745 0.318 0.988 1.00 0.34 H new ATOM 0 HG12 VAL A 52 6.928 1.394 2.393 1.00 0.34 H new ATOM 0 HG13 VAL A 52 5.307 0.869 1.880 1.00 0.34 H new ATOM 0 HG21 VAL A 52 5.898 1.031 -1.056 1.00 0.44 H new ATOM 0 HG22 VAL A 52 4.394 1.636 -0.323 1.00 0.44 H new ATOM 0 HG23 VAL A 52 5.371 2.704 -1.359 1.00 0.44 H new ATOM 431 N THR A 53 6.538 3.568 3.574 1.00 0.25 N ATOM 432 CA THR A 53 7.624 3.740 4.557 1.00 0.25 C ATOM 433 C THR A 53 7.851 2.476 5.377 1.00 0.24 C ATOM 434 O THR A 53 6.933 1.979 6.006 1.00 0.25 O ATOM 435 CB THR A 53 7.275 4.908 5.500 1.00 0.27 C ATOM 436 OG1 THR A 53 7.168 6.126 4.794 1.00 0.36 O ATOM 437 CG2 THR A 53 8.312 5.143 6.579 1.00 0.32 C ATOM 0 H THR A 53 5.796 2.944 3.892 1.00 0.25 H new ATOM 0 HA THR A 53 8.543 3.953 4.011 1.00 0.25 H new ATOM 0 HB THR A 53 6.328 4.613 5.953 1.00 0.27 H new ATOM 0 HG1 THR A 53 7.291 5.961 3.836 1.00 0.36 H new ATOM 0 HG21 THR A 53 8.002 5.979 7.206 1.00 0.32 H new ATOM 0 HG22 THR A 53 8.409 4.247 7.192 1.00 0.32 H new ATOM 0 HG23 THR A 53 9.272 5.372 6.117 1.00 0.32 H new ATOM 445 N ASP A 54 9.086 1.983 5.441 1.00 0.28 N ATOM 446 CA ASP A 54 9.497 0.973 6.425 1.00 0.27 C ATOM 447 C ASP A 54 9.531 1.578 7.838 1.00 0.24 C ATOM 448 O ASP A 54 10.193 2.590 8.100 1.00 0.31 O ATOM 449 CB ASP A 54 10.889 0.445 6.010 1.00 0.31 C ATOM 450 CG ASP A 54 11.667 -0.208 7.164 1.00 0.53 C ATOM 451 OD1 ASP A 54 11.086 -0.986 7.945 1.00 1.47 O ATOM 452 OD2 ASP A 54 12.869 0.120 7.337 1.00 1.86 O ATOM 0 H ASP A 54 9.835 2.271 4.812 1.00 0.28 H new ATOM 0 HA ASP A 54 8.782 0.151 6.447 1.00 0.27 H new ATOM 0 HB2 ASP A 54 10.768 -0.282 5.207 1.00 0.31 H new ATOM 0 HB3 ASP A 54 11.477 1.270 5.608 1.00 0.31 H new ATOM 457 N ILE A 55 8.832 0.913 8.756 1.00 0.25 N ATOM 458 CA ILE A 55 8.681 1.290 10.170 1.00 0.35 C ATOM 459 C ILE A 55 9.080 0.131 11.107 1.00 0.50 C ATOM 460 O ILE A 55 8.641 0.026 12.254 1.00 0.63 O ATOM 461 CB ILE A 55 7.282 1.904 10.403 1.00 0.34 C ATOM 462 CG1 ILE A 55 6.137 0.912 10.104 1.00 0.28 C ATOM 463 CG2 ILE A 55 7.133 3.184 9.566 1.00 0.40 C ATOM 464 CD1 ILE A 55 4.745 1.552 9.984 1.00 0.28 C ATOM 0 H ILE A 55 8.330 0.055 8.528 1.00 0.25 H new ATOM 0 HA ILE A 55 9.385 2.080 10.433 1.00 0.35 H new ATOM 0 HB ILE A 55 7.202 2.150 11.462 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.362 0.388 9.175 1.00 0.28 H new ATOM 0 HG13 ILE A 55 6.110 0.162 10.894 1.00 0.28 H new ATOM 0 HG21 ILE A 55 6.146 3.615 9.732 1.00 0.40 H new ATOM 0 HG22 ILE A 55 7.897 3.903 9.862 1.00 0.40 H new ATOM 0 HG23 ILE A 55 7.251 2.944 8.509 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.006 0.779 9.773 1.00 0.28 H new ATOM 0 HD12 ILE A 55 4.492 2.051 10.920 1.00 0.28 H new ATOM 0 HD13 ILE A 55 4.748 2.281 9.174 1.00 0.28 H new ATOM 476 N SER A 56 9.944 -0.748 10.586 1.00 0.53 N ATOM 477 CA SER A 56 10.559 -1.905 11.232 1.00 0.69 C ATOM 478 C SER A 56 12.065 -1.896 10.945 1.00 0.76 C ATOM 479 O SER A 56 12.615 -2.778 10.289 1.00 0.79 O ATOM 480 CB SER A 56 9.806 -3.155 10.794 1.00 0.76 C ATOM 481 OG SER A 56 10.265 -4.348 11.405 1.00 1.59 O ATOM 0 H SER A 56 10.255 -0.657 9.619 1.00 0.53 H new ATOM 0 HA SER A 56 10.479 -1.878 12.319 1.00 0.69 H new ATOM 0 HB2 SER A 56 8.747 -3.027 11.020 1.00 0.76 H new ATOM 0 HB3 SER A 56 9.891 -3.257 9.712 1.00 0.76 H new ATOM 0 HG SER A 56 9.503 -4.840 11.775 1.00 1.59 H new ATOM 487 N GLY A 57 12.753 -0.852 11.422 1.00 0.91 N ATOM 488 CA GLY A 57 14.150 -0.529 11.092 1.00 1.17 C ATOM 489 C GLY A 57 15.208 -1.627 11.310 1.00 1.33 C ATOM 490 O GLY A 57 16.325 -1.497 10.804 1.00 1.73 O ATOM 0 H GLY A 57 12.339 -0.184 12.072 1.00 0.91 H new ATOM 0 HA2 GLY A 57 14.187 -0.231 10.044 1.00 1.17 H new ATOM 0 HA3 GLY A 57 14.442 0.340 11.682 1.00 1.17 H new ATOM 494 N GLY A 58 14.877 -2.704 12.025 1.00 1.20 N ATOM 495 CA GLY A 58 15.754 -3.834 12.350 1.00 1.47 C ATOM 496 C GLY A 58 15.249 -5.218 11.919 1.00 1.37 C ATOM 497 O GLY A 58 16.002 -6.185 12.055 1.00 1.64 O ATOM 0 H GLY A 58 13.941 -2.819 12.414 1.00 1.20 H new ATOM 0 HA2 GLY A 58 16.725 -3.661 11.885 1.00 1.47 H new ATOM 0 HA3 GLY A 58 15.915 -3.846 13.428 1.00 1.47 H new ATOM 501 N CYS A 59 14.014 -5.328 11.413 1.00 1.17 N ATOM 502 CA CYS A 59 13.365 -6.595 11.018 1.00 1.26 C ATOM 503 C CYS A 59 12.562 -6.517 9.701 1.00 1.12 C ATOM 504 O CYS A 59 12.301 -7.542 9.064 1.00 1.32 O ATOM 505 CB CYS A 59 12.444 -7.031 12.172 1.00 1.58 C ATOM 506 SG CYS A 59 12.895 -8.697 12.739 1.00 2.43 S ATOM 0 H CYS A 59 13.416 -4.516 11.261 1.00 1.17 H new ATOM 0 HA CYS A 59 14.155 -7.322 10.827 1.00 1.26 H new ATOM 0 HB2 CYS A 59 12.524 -6.324 12.998 1.00 1.58 H new ATOM 0 HB3 CYS A 59 11.405 -7.020 11.842 1.00 1.58 H new ATOM 0 HG CYS A 59 12.111 -9.051 13.714 1.00 2.43 H new ATOM 512 N GLY A 60 12.159 -5.308 9.308 1.00 0.92 N ATOM 513 CA GLY A 60 11.370 -4.961 8.128 1.00 0.84 C ATOM 514 C GLY A 60 10.028 -5.694 7.992 1.00 0.90 C ATOM 515 O GLY A 60 9.661 -6.110 6.891 1.00 0.95 O ATOM 0 H GLY A 60 12.396 -4.479 9.853 1.00 0.92 H new ATOM 0 HA2 GLY A 60 11.178 -3.888 8.143 1.00 0.84 H new ATOM 0 HA3 GLY A 60 11.968 -5.166 7.240 1.00 0.84 H new ATOM 519 N ALA A 61 9.320 -5.895 9.108 1.00 0.95 N ATOM 520 CA ALA A 61 8.015 -6.561 9.171 1.00 1.04 C ATOM 521 C ALA A 61 6.814 -5.614 8.967 1.00 0.76 C ATOM 522 O ALA A 61 5.780 -6.030 8.442 1.00 0.75 O ATOM 523 CB ALA A 61 7.925 -7.252 10.535 1.00 1.34 C ATOM 0 H ALA A 61 9.651 -5.588 10.023 1.00 0.95 H new ATOM 0 HA ALA A 61 7.954 -7.272 8.347 1.00 1.04 H new ATOM 0 HB1 ALA A 61 6.965 -7.761 10.622 1.00 1.34 H new ATOM 0 HB2 ALA A 61 8.731 -7.979 10.628 1.00 1.34 H new ATOM 0 HB3 ALA A 61 8.014 -6.508 11.326 1.00 1.34 H new ATOM 529 N MET A 62 6.930 -4.356 9.404 1.00 0.76 N ATOM 530 CA MET A 62 5.908 -3.316 9.289 1.00 0.46 C ATOM 531 C MET A 62 6.250 -2.263 8.239 1.00 0.36 C ATOM 532 O MET A 62 7.393 -1.804 8.161 1.00 0.38 O ATOM 533 CB MET A 62 5.717 -2.597 10.635 1.00 0.63 C ATOM 534 CG MET A 62 4.875 -3.353 11.655 1.00 0.71 C ATOM 535 SD MET A 62 5.369 -3.204 13.396 1.00 1.49 S ATOM 536 CE MET A 62 6.926 -4.129 13.374 1.00 1.07 C ATOM 0 H MET A 62 7.776 -4.023 9.867 1.00 0.76 H new ATOM 0 HA MET A 62 4.994 -3.827 8.985 1.00 0.46 H new ATOM 0 HB2 MET A 62 6.698 -2.403 11.068 1.00 0.63 H new ATOM 0 HB3 MET A 62 5.253 -1.628 10.450 1.00 0.63 H new ATOM 0 HG2 MET A 62 3.844 -3.012 11.564 1.00 0.71 H new ATOM 0 HG3 MET A 62 4.886 -4.410 11.388 1.00 0.71 H new ATOM 0 HE1 MET A 62 7.125 -4.530 14.368 1.00 1.07 H new ATOM 0 HE2 MET A 62 6.852 -4.949 12.660 1.00 1.07 H new ATOM 0 HE3 MET A 62 7.739 -3.465 13.081 1.00 1.07 H new ATOM 546 N TYR A 63 5.220 -1.806 7.524 1.00 0.30 N ATOM 547 CA TYR A 63 5.307 -0.697 6.579 1.00 0.28 C ATOM 548 C TYR A 63 4.055 0.191 6.597 1.00 0.27 C ATOM 549 O TYR A 63 2.926 -0.275 6.688 1.00 0.32 O ATOM 550 CB TYR A 63 5.510 -1.213 5.153 1.00 0.39 C ATOM 551 CG TYR A 63 6.735 -2.065 4.890 1.00 0.46 C ATOM 552 CD1 TYR A 63 7.936 -1.485 4.436 1.00 1.66 C ATOM 553 CD2 TYR A 63 6.659 -3.456 5.092 1.00 1.99 C ATOM 554 CE1 TYR A 63 9.075 -2.290 4.259 1.00 1.65 C ATOM 555 CE2 TYR A 63 7.785 -4.269 4.875 1.00 2.01 C ATOM 556 CZ TYR A 63 9.004 -3.683 4.489 1.00 0.53 C ATOM 557 OH TYR A 63 10.100 -4.473 4.345 1.00 0.57 O ATOM 0 H TYR A 63 4.284 -2.206 7.589 1.00 0.30 H new ATOM 0 HA TYR A 63 6.163 -0.099 6.893 1.00 0.28 H new ATOM 0 HB2 TYR A 63 4.630 -1.793 4.876 1.00 0.39 H new ATOM 0 HB3 TYR A 63 5.548 -0.352 4.485 1.00 0.39 H new ATOM 0 HD1 TYR A 63 7.982 -0.427 4.225 1.00 1.66 H new ATOM 0 HD2 TYR A 63 5.730 -3.901 5.416 1.00 1.99 H new ATOM 0 HE1 TYR A 63 10.007 -1.843 3.946 1.00 1.65 H new ATOM 0 HE2 TYR A 63 7.714 -5.339 5.004 1.00 2.01 H new ATOM 0 HH TYR A 63 10.160 -5.091 5.103 1.00 0.57 H new ATOM 567 N GLU A 64 4.263 1.483 6.418 1.00 0.27 N ATOM 568 CA GLU A 64 3.254 2.493 6.104 1.00 0.36 C ATOM 569 C GLU A 64 2.974 2.507 4.593 1.00 0.55 C ATOM 570 O GLU A 64 3.924 2.427 3.815 1.00 0.83 O ATOM 571 CB GLU A 64 3.800 3.861 6.558 1.00 0.56 C ATOM 572 CG GLU A 64 2.725 4.734 7.187 1.00 0.38 C ATOM 573 CD GLU A 64 3.325 6.013 7.788 1.00 0.69 C ATOM 574 OE1 GLU A 64 4.059 5.929 8.802 1.00 2.07 O ATOM 575 OE2 GLU A 64 3.042 7.122 7.272 1.00 1.23 O ATOM 0 H GLU A 64 5.197 1.886 6.491 1.00 0.27 H new ATOM 0 HA GLU A 64 2.319 2.270 6.618 1.00 0.36 H new ATOM 0 HB2 GLU A 64 4.606 3.708 7.276 1.00 0.56 H new ATOM 0 HB3 GLU A 64 4.231 4.380 5.702 1.00 0.56 H new ATOM 0 HG2 GLU A 64 1.981 4.997 6.435 1.00 0.38 H new ATOM 0 HG3 GLU A 64 2.207 4.173 7.965 1.00 0.38 H new ATOM 582 N ILE A 65 1.714 2.646 4.159 1.00 0.40 N ATOM 583 CA ILE A 65 1.347 2.883 2.749 1.00 0.34 C ATOM 584 C ILE A 65 0.235 3.936 2.650 1.00 0.27 C ATOM 585 O ILE A 65 -0.825 3.757 3.241 1.00 0.28 O ATOM 586 CB ILE A 65 0.907 1.577 2.038 1.00 0.39 C ATOM 587 CG1 ILE A 65 2.052 0.543 1.992 1.00 0.50 C ATOM 588 CG2 ILE A 65 0.430 1.894 0.605 1.00 0.37 C ATOM 589 CD1 ILE A 65 1.652 -0.823 1.422 1.00 0.64 C ATOM 0 H ILE A 65 0.908 2.597 4.782 1.00 0.40 H new ATOM 0 HA ILE A 65 2.238 3.254 2.242 1.00 0.34 H new ATOM 0 HB ILE A 65 0.086 1.144 2.610 1.00 0.39 H new ATOM 0 HG12 ILE A 65 2.867 0.948 1.392 1.00 0.50 H new ATOM 0 HG13 ILE A 65 2.439 0.402 3.001 1.00 0.50 H new ATOM 0 HG21 ILE A 65 0.122 0.972 0.112 1.00 0.37 H new ATOM 0 HG22 ILE A 65 -0.414 2.582 0.646 1.00 0.37 H new ATOM 0 HG23 ILE A 65 1.244 2.352 0.043 1.00 0.37 H new ATOM 0 HD11 ILE A 65 2.517 -1.487 1.427 1.00 0.64 H new ATOM 0 HD12 ILE A 65 0.860 -1.255 2.034 1.00 0.64 H new ATOM 0 HD13 ILE A 65 1.295 -0.700 0.400 1.00 0.64 H new ATOM 601 N LYS A 66 0.425 4.971 1.823 1.00 0.22 N ATOM 602 CA LYS A 66 -0.600 5.975 1.468 1.00 0.24 C ATOM 603 C LYS A 66 -0.972 5.876 -0.008 1.00 0.29 C ATOM 604 O LYS A 66 -0.075 5.952 -0.847 1.00 0.44 O ATOM 605 CB LYS A 66 -0.101 7.394 1.785 1.00 0.48 C ATOM 606 CG LYS A 66 -0.308 7.839 3.240 1.00 0.81 C ATOM 607 CD LYS A 66 0.352 9.214 3.435 1.00 1.41 C ATOM 608 CE LYS A 66 0.114 9.778 4.839 1.00 2.00 C ATOM 609 NZ LYS A 66 0.479 11.214 4.898 1.00 2.95 N ATOM 0 H LYS A 66 1.320 5.143 1.366 1.00 0.22 H new ATOM 0 HA LYS A 66 -1.488 5.770 2.066 1.00 0.24 H new ATOM 0 HB2 LYS A 66 0.962 7.451 1.550 1.00 0.48 H new ATOM 0 HB3 LYS A 66 -0.611 8.099 1.128 1.00 0.48 H new ATOM 0 HG2 LYS A 66 -1.372 7.895 3.470 1.00 0.81 H new ATOM 0 HG3 LYS A 66 0.128 7.110 3.923 1.00 0.81 H new ATOM 0 HD2 LYS A 66 1.424 9.129 3.257 1.00 1.41 H new ATOM 0 HD3 LYS A 66 -0.040 9.911 2.694 1.00 1.41 H new ATOM 0 HE2 LYS A 66 -0.933 9.653 5.113 1.00 2.00 H new ATOM 0 HE3 LYS A 66 0.703 9.218 5.565 1.00 2.00 H new ATOM 0 HZ1 LYS A 66 0.310 11.576 5.858 1.00 2.95 H new ATOM 0 HZ2 LYS A 66 1.485 11.327 4.658 1.00 2.95 H new ATOM 0 HZ3 LYS A 66 -0.101 11.748 4.220 1.00 2.95 H new ATOM 623 N ILE A 67 -2.267 5.747 -0.314 1.00 0.21 N ATOM 624 CA ILE A 67 -2.856 5.738 -1.654 1.00 0.23 C ATOM 625 C ILE A 67 -4.047 6.722 -1.713 1.00 0.23 C ATOM 626 O ILE A 67 -4.679 7.020 -0.699 1.00 0.25 O ATOM 627 CB ILE A 67 -3.257 4.312 -2.100 1.00 0.24 C ATOM 628 CG1 ILE A 67 -2.154 3.295 -1.727 1.00 0.25 C ATOM 629 CG2 ILE A 67 -3.585 4.290 -3.603 1.00 0.31 C ATOM 630 CD1 ILE A 67 -1.986 2.067 -2.617 1.00 0.29 C ATOM 0 H ILE A 67 -2.974 5.640 0.413 1.00 0.21 H new ATOM 0 HA ILE A 67 -2.100 6.074 -2.364 1.00 0.23 H new ATOM 0 HB ILE A 67 -4.161 4.015 -1.568 1.00 0.24 H new ATOM 0 HG12 ILE A 67 -1.202 3.826 -1.706 1.00 0.25 H new ATOM 0 HG13 ILE A 67 -2.348 2.949 -0.712 1.00 0.25 H new ATOM 0 HG21 ILE A 67 -3.865 3.279 -3.900 1.00 0.31 H new ATOM 0 HG22 ILE A 67 -4.413 4.970 -3.805 1.00 0.31 H new ATOM 0 HG23 ILE A 67 -2.710 4.605 -4.171 1.00 0.31 H new ATOM 0 HD11 ILE A 67 -1.177 1.447 -2.232 1.00 0.29 H new ATOM 0 HD12 ILE A 67 -2.912 1.492 -2.623 1.00 0.29 H new ATOM 0 HD13 ILE A 67 -1.749 2.383 -3.633 1.00 0.29 H new ATOM 642 N GLU A 68 -4.409 7.204 -2.896 1.00 0.24 N ATOM 643 CA GLU A 68 -5.672 7.908 -3.179 1.00 0.23 C ATOM 644 C GLU A 68 -5.996 7.799 -4.665 1.00 0.26 C ATOM 645 O GLU A 68 -5.118 8.055 -5.473 1.00 0.31 O ATOM 646 CB GLU A 68 -5.498 9.366 -2.770 1.00 0.25 C ATOM 647 CG GLU A 68 -6.684 10.286 -3.112 1.00 0.31 C ATOM 648 CD GLU A 68 -6.511 11.710 -2.569 1.00 0.44 C ATOM 649 OE1 GLU A 68 -6.071 12.612 -3.324 1.00 1.65 O ATOM 650 OE2 GLU A 68 -6.836 11.947 -1.381 1.00 1.52 O ATOM 0 H GLU A 68 -3.815 7.116 -3.721 1.00 0.24 H new ATOM 0 HA GLU A 68 -6.497 7.465 -2.620 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -5.324 9.407 -1.695 1.00 0.25 H new ATOM 0 HB3 GLU A 68 -4.603 9.758 -3.253 1.00 0.25 H new ATOM 0 HG2 GLU A 68 -6.805 10.328 -4.195 1.00 0.31 H new ATOM 0 HG3 GLU A 68 -7.600 9.856 -2.706 1.00 0.31 H new ATOM 657 N SER A 69 -7.213 7.417 -5.056 1.00 0.27 N ATOM 658 CA SER A 69 -7.565 7.216 -6.473 1.00 0.36 C ATOM 659 C SER A 69 -9.056 7.307 -6.705 1.00 0.40 C ATOM 660 O SER A 69 -9.833 6.804 -5.898 1.00 0.34 O ATOM 661 CB SER A 69 -7.132 5.819 -6.924 1.00 0.42 C ATOM 662 OG SER A 69 -7.365 5.612 -8.306 1.00 0.57 O ATOM 0 H SER A 69 -7.981 7.238 -4.409 1.00 0.27 H new ATOM 0 HA SER A 69 -7.057 8.000 -7.035 1.00 0.36 H new ATOM 0 HB2 SER A 69 -6.072 5.681 -6.710 1.00 0.42 H new ATOM 0 HB3 SER A 69 -7.673 5.068 -6.349 1.00 0.42 H new ATOM 0 HG SER A 69 -7.412 4.650 -8.489 1.00 0.57 H new ATOM 668 N GLU A 70 -9.454 7.873 -7.844 1.00 0.51 N ATOM 669 CA GLU A 70 -10.841 7.932 -8.320 1.00 0.51 C ATOM 670 C GLU A 70 -11.548 6.556 -8.334 1.00 0.43 C ATOM 671 O GLU A 70 -12.775 6.483 -8.251 1.00 0.55 O ATOM 672 CB GLU A 70 -10.842 8.474 -9.747 1.00 0.62 C ATOM 673 CG GLU A 70 -10.746 9.990 -9.879 1.00 1.60 C ATOM 674 CD GLU A 70 -10.890 10.409 -11.344 1.00 2.07 C ATOM 675 OE1 GLU A 70 -10.003 10.068 -12.163 1.00 2.73 O ATOM 676 OE2 GLU A 70 -11.896 11.075 -11.697 1.00 3.10 O ATOM 0 H GLU A 70 -8.798 8.320 -8.485 1.00 0.51 H new ATOM 0 HA GLU A 70 -11.386 8.574 -7.628 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -10.007 8.027 -10.286 1.00 0.62 H new ATOM 0 HB3 GLU A 70 -11.755 8.142 -10.242 1.00 0.62 H new ATOM 0 HG2 GLU A 70 -11.525 10.463 -9.281 1.00 1.60 H new ATOM 0 HG3 GLU A 70 -9.789 10.335 -9.488 1.00 1.60 H new ATOM 683 N GLU A 71 -10.789 5.456 -8.430 1.00 0.34 N ATOM 684 CA GLU A 71 -11.314 4.083 -8.480 1.00 0.32 C ATOM 685 C GLU A 71 -11.934 3.598 -7.161 1.00 0.32 C ATOM 686 O GLU A 71 -12.644 2.591 -7.144 1.00 0.44 O ATOM 687 CB GLU A 71 -10.219 3.128 -8.968 1.00 0.40 C ATOM 688 CG GLU A 71 -9.232 2.714 -7.871 1.00 0.28 C ATOM 689 CD GLU A 71 -7.910 2.266 -8.514 1.00 0.33 C ATOM 690 OE1 GLU A 71 -6.994 3.108 -8.663 1.00 1.73 O ATOM 691 OE2 GLU A 71 -7.827 1.109 -8.999 1.00 1.55 O ATOM 0 H GLU A 71 -9.771 5.496 -8.476 1.00 0.34 H new ATOM 0 HA GLU A 71 -12.140 4.090 -9.191 1.00 0.32 H new ATOM 0 HB2 GLU A 71 -10.686 2.234 -9.381 1.00 0.40 H new ATOM 0 HB3 GLU A 71 -9.669 3.604 -9.779 1.00 0.40 H new ATOM 0 HG2 GLU A 71 -9.054 3.549 -7.193 1.00 0.28 H new ATOM 0 HG3 GLU A 71 -9.652 1.903 -7.276 1.00 0.28 H new ATOM 698 N PHE A 72 -11.679 4.306 -6.058 1.00 0.32 N ATOM 699 CA PHE A 72 -12.105 3.943 -4.707 1.00 0.38 C ATOM 700 C PHE A 72 -13.471 4.555 -4.281 1.00 0.45 C ATOM 701 O PHE A 72 -13.803 4.537 -3.094 1.00 0.52 O ATOM 702 CB PHE A 72 -10.946 4.323 -3.763 1.00 0.35 C ATOM 703 CG PHE A 72 -9.708 3.446 -3.711 1.00 0.34 C ATOM 704 CD1 PHE A 72 -8.440 4.058 -3.639 1.00 1.51 C ATOM 705 CD2 PHE A 72 -9.807 2.048 -3.580 1.00 1.71 C ATOM 706 CE1 PHE A 72 -7.284 3.287 -3.427 1.00 1.51 C ATOM 707 CE2 PHE A 72 -8.649 1.275 -3.384 1.00 1.71 C ATOM 708 CZ PHE A 72 -7.390 1.891 -3.310 1.00 0.32 C ATOM 0 H PHE A 72 -11.151 5.179 -6.084 1.00 0.32 H new ATOM 0 HA PHE A 72 -12.304 2.872 -4.661 1.00 0.38 H new ATOM 0 HB2 PHE A 72 -10.623 5.329 -4.031 1.00 0.35 H new ATOM 0 HB3 PHE A 72 -11.351 4.377 -2.753 1.00 0.35 H new ATOM 0 HD1 PHE A 72 -8.356 5.129 -3.748 1.00 1.51 H new ATOM 0 HD2 PHE A 72 -10.773 1.569 -3.630 1.00 1.71 H new ATOM 0 HE1 PHE A 72 -6.319 3.766 -3.354 1.00 1.51 H new ATOM 0 HE2 PHE A 72 -8.729 0.202 -3.290 1.00 1.71 H new ATOM 0 HZ PHE A 72 -6.503 1.292 -3.163 1.00 0.32 H new ATOM 718 N LYS A 73 -14.283 5.106 -5.204 1.00 0.48 N ATOM 719 CA LYS A 73 -15.475 5.944 -4.876 1.00 0.58 C ATOM 720 C LYS A 73 -16.731 5.179 -4.461 1.00 0.77 C ATOM 721 O LYS A 73 -17.651 5.788 -3.926 1.00 1.29 O ATOM 722 CB LYS A 73 -15.791 7.001 -5.962 1.00 0.67 C ATOM 723 CG LYS A 73 -16.129 6.421 -7.331 1.00 0.81 C ATOM 724 CD LYS A 73 -17.615 6.087 -7.544 1.00 1.49 C ATOM 725 CE LYS A 73 -17.630 5.147 -8.743 1.00 1.88 C ATOM 726 NZ LYS A 73 -18.960 4.560 -9.049 1.00 3.32 N ATOM 0 H LYS A 73 -14.138 4.987 -6.207 1.00 0.48 H new ATOM 0 HA LYS A 73 -15.159 6.470 -3.975 1.00 0.58 H new ATOM 0 HB2 LYS A 73 -16.628 7.612 -5.624 1.00 0.67 H new ATOM 0 HB3 LYS A 73 -14.933 7.665 -6.065 1.00 0.67 H new ATOM 0 HG2 LYS A 73 -15.818 7.131 -8.097 1.00 0.81 H new ATOM 0 HG3 LYS A 73 -15.543 5.514 -7.480 1.00 0.81 H new ATOM 0 HD2 LYS A 73 -18.045 5.612 -6.662 1.00 1.49 H new ATOM 0 HD3 LYS A 73 -18.200 6.986 -7.738 1.00 1.49 H new ATOM 0 HE2 LYS A 73 -17.277 5.691 -9.619 1.00 1.88 H new ATOM 0 HE3 LYS A 73 -16.922 4.338 -8.563 1.00 1.88 H new ATOM 0 HZ1 LYS A 73 -18.990 4.269 -10.047 1.00 3.32 H new ATOM 0 HZ2 LYS A 73 -19.122 3.731 -8.442 1.00 3.32 H new ATOM 0 HZ3 LYS A 73 -19.701 5.268 -8.873 1.00 3.32 H new ATOM 740 N GLU A 74 -16.783 3.876 -4.708 1.00 0.64 N ATOM 741 CA GLU A 74 -17.900 2.977 -4.383 1.00 0.85 C ATOM 742 C GLU A 74 -17.425 1.810 -3.492 1.00 0.77 C ATOM 743 O GLU A 74 -17.925 0.680 -3.555 1.00 1.17 O ATOM 744 CB GLU A 74 -18.572 2.526 -5.693 1.00 1.10 C ATOM 745 CG GLU A 74 -20.080 2.323 -5.520 1.00 2.99 C ATOM 746 CD GLU A 74 -20.753 1.865 -6.819 1.00 3.49 C ATOM 747 OE1 GLU A 74 -21.687 1.030 -6.728 1.00 4.54 O ATOM 748 OE2 GLU A 74 -20.359 2.331 -7.920 1.00 3.59 O ATOM 0 H GLU A 74 -16.012 3.386 -5.163 1.00 0.64 H new ATOM 0 HA GLU A 74 -18.653 3.499 -3.793 1.00 0.85 H new ATOM 0 HB2 GLU A 74 -18.392 3.271 -6.468 1.00 1.10 H new ATOM 0 HB3 GLU A 74 -18.117 1.596 -6.033 1.00 1.10 H new ATOM 0 HG2 GLU A 74 -20.259 1.583 -4.739 1.00 2.99 H new ATOM 0 HG3 GLU A 74 -20.535 3.255 -5.186 1.00 2.99 H new ATOM 755 N LYS A 75 -16.392 2.080 -2.681 1.00 0.54 N ATOM 756 CA LYS A 75 -15.655 1.111 -1.860 1.00 0.44 C ATOM 757 C LYS A 75 -15.696 1.497 -0.392 1.00 0.49 C ATOM 758 O LYS A 75 -15.310 2.611 -0.036 1.00 0.65 O ATOM 759 CB LYS A 75 -14.196 1.019 -2.326 1.00 0.41 C ATOM 760 CG LYS A 75 -14.036 0.462 -3.741 1.00 0.45 C ATOM 761 CD LYS A 75 -14.274 -1.049 -3.807 1.00 0.48 C ATOM 762 CE LYS A 75 -14.202 -1.451 -5.273 1.00 0.69 C ATOM 763 NZ LYS A 75 -14.089 -2.920 -5.448 1.00 1.27 N ATOM 0 H LYS A 75 -16.031 3.028 -2.575 1.00 0.54 H new ATOM 0 HA LYS A 75 -16.135 0.140 -1.978 1.00 0.44 H new ATOM 0 HB2 LYS A 75 -13.747 2.011 -2.283 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -13.641 0.388 -1.632 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -14.736 0.966 -4.408 1.00 0.45 H new ATOM 0 HG3 LYS A 75 -13.033 0.685 -4.104 1.00 0.45 H new ATOM 0 HD2 LYS A 75 -13.523 -1.583 -3.224 1.00 0.48 H new ATOM 0 HD3 LYS A 75 -15.246 -1.304 -3.385 1.00 0.48 H new ATOM 0 HE2 LYS A 75 -15.092 -1.093 -5.790 1.00 0.69 H new ATOM 0 HE3 LYS A 75 -13.345 -0.965 -5.739 1.00 0.69 H new ATOM 0 HZ1 LYS A 75 -14.043 -3.146 -6.462 1.00 1.27 H new ATOM 0 HZ2 LYS A 75 -13.226 -3.260 -4.978 1.00 1.27 H new ATOM 0 HZ3 LYS A 75 -14.919 -3.385 -5.027 1.00 1.27 H new ATOM 777 N ARG A 76 -16.060 0.533 0.454 1.00 0.47 N ATOM 778 CA ARG A 76 -15.946 0.611 1.901 1.00 0.48 C ATOM 779 C ARG A 76 -14.489 0.724 2.330 1.00 0.41 C ATOM 780 O ARG A 76 -13.620 0.308 1.571 1.00 0.32 O ATOM 781 CB ARG A 76 -16.538 -0.655 2.510 1.00 0.53 C ATOM 782 CG ARG A 76 -17.871 -1.128 1.915 1.00 0.72 C ATOM 783 CD ARG A 76 -18.659 -1.951 2.935 1.00 1.24 C ATOM 784 NE ARG A 76 -19.926 -2.439 2.363 1.00 1.56 N ATOM 785 CZ ARG A 76 -21.065 -1.776 2.260 1.00 2.23 C ATOM 786 NH1 ARG A 76 -21.202 -0.539 2.637 1.00 3.25 N ATOM 787 NH2 ARG A 76 -22.098 -2.367 1.744 1.00 2.73 N ATOM 0 H ARG A 76 -16.455 -0.351 0.135 1.00 0.47 H new ATOM 0 HA ARG A 76 -16.481 1.496 2.245 1.00 0.48 H new ATOM 0 HB2 ARG A 76 -15.810 -1.460 2.405 1.00 0.53 H new ATOM 0 HB3 ARG A 76 -16.678 -0.489 3.578 1.00 0.53 H new ATOM 0 HG2 ARG A 76 -18.461 -0.266 1.602 1.00 0.72 H new ATOM 0 HG3 ARG A 76 -17.684 -1.727 1.024 1.00 0.72 H new ATOM 0 HD2 ARG A 76 -18.057 -2.797 3.266 1.00 1.24 H new ATOM 0 HD3 ARG A 76 -18.865 -1.342 3.816 1.00 1.24 H new ATOM 0 HE ARG A 76 -19.924 -3.395 2.007 1.00 1.56 H new ATOM 0 HH11 ARG A 76 -20.408 -0.036 3.034 1.00 3.25 H new ATOM 0 HH12 ARG A 76 -22.103 -0.072 2.536 1.00 3.25 H new ATOM 0 HH21 ARG A 76 -22.026 -3.333 1.423 1.00 2.73 H new ATOM 0 HH22 ARG A 76 -22.983 -1.866 1.659 1.00 2.73 H new ATOM 801 N THR A 77 -14.221 1.116 3.570 1.00 0.49 N ATOM 802 CA THR A 77 -12.875 1.069 4.177 1.00 0.47 C ATOM 803 C THR A 77 -12.137 -0.247 3.897 1.00 0.38 C ATOM 804 O THR A 77 -11.074 -0.267 3.281 1.00 0.33 O ATOM 805 CB THR A 77 -13.019 1.249 5.690 1.00 0.60 C ATOM 806 OG1 THR A 77 -13.651 2.479 5.971 1.00 0.75 O ATOM 807 CG2 THR A 77 -11.680 1.243 6.429 1.00 0.64 C ATOM 0 H THR A 77 -14.935 1.482 4.200 1.00 0.49 H new ATOM 0 HA THR A 77 -12.283 1.868 3.731 1.00 0.47 H new ATOM 0 HB THR A 77 -13.609 0.401 6.036 1.00 0.60 H new ATOM 0 HG1 THR A 77 -13.741 2.586 6.941 1.00 0.75 H new ATOM 0 HG21 THR A 77 -11.853 1.375 7.497 1.00 0.64 H new ATOM 0 HG22 THR A 77 -11.174 0.293 6.258 1.00 0.64 H new ATOM 0 HG23 THR A 77 -11.057 2.057 6.059 1.00 0.64 H new ATOM 815 N VAL A 78 -12.765 -1.366 4.262 1.00 0.40 N ATOM 816 CA VAL A 78 -12.250 -2.729 4.054 1.00 0.39 C ATOM 817 C VAL A 78 -12.052 -3.079 2.577 1.00 0.33 C ATOM 818 O VAL A 78 -11.063 -3.725 2.219 1.00 0.36 O ATOM 819 CB VAL A 78 -13.176 -3.735 4.763 1.00 0.45 C ATOM 820 CG1 VAL A 78 -14.640 -3.609 4.322 1.00 0.45 C ATOM 821 CG2 VAL A 78 -12.706 -5.183 4.608 1.00 0.57 C ATOM 0 H VAL A 78 -13.674 -1.353 4.725 1.00 0.40 H new ATOM 0 HA VAL A 78 -11.254 -2.783 4.494 1.00 0.39 H new ATOM 0 HB VAL A 78 -13.119 -3.473 5.819 1.00 0.45 H new ATOM 0 HG11 VAL A 78 -15.245 -4.343 4.855 1.00 0.45 H new ATOM 0 HG12 VAL A 78 -15.003 -2.606 4.548 1.00 0.45 H new ATOM 0 HG13 VAL A 78 -14.714 -3.788 3.249 1.00 0.45 H new ATOM 0 HG21 VAL A 78 -13.396 -5.847 5.128 1.00 0.57 H new ATOM 0 HG22 VAL A 78 -12.677 -5.445 3.550 1.00 0.57 H new ATOM 0 HG23 VAL A 78 -11.709 -5.290 5.035 1.00 0.57 H new ATOM 831 N GLN A 79 -12.955 -2.608 1.711 1.00 0.31 N ATOM 832 CA GLN A 79 -12.888 -2.852 0.267 1.00 0.32 C ATOM 833 C GLN A 79 -11.820 -1.997 -0.436 1.00 0.30 C ATOM 834 O GLN A 79 -11.239 -2.457 -1.416 1.00 0.45 O ATOM 835 CB GLN A 79 -14.266 -2.667 -0.395 1.00 0.38 C ATOM 836 CG GLN A 79 -15.346 -3.620 0.140 1.00 0.54 C ATOM 837 CD GLN A 79 -16.243 -4.153 -0.974 1.00 0.79 C ATOM 838 OE1 GLN A 79 -16.039 -5.255 -1.471 1.00 1.06 O ATOM 839 NE2 GLN A 79 -17.215 -3.417 -1.465 1.00 0.93 N ATOM 0 H GLN A 79 -13.757 -2.044 1.994 1.00 0.31 H new ATOM 0 HA GLN A 79 -12.584 -3.892 0.146 1.00 0.32 H new ATOM 0 HB2 GLN A 79 -14.595 -1.639 -0.245 1.00 0.38 H new ATOM 0 HB3 GLN A 79 -14.165 -2.815 -1.470 1.00 0.38 H new ATOM 0 HG2 GLN A 79 -14.870 -4.456 0.653 1.00 0.54 H new ATOM 0 HG3 GLN A 79 -15.956 -3.099 0.878 1.00 0.54 H new ATOM 0 HE21 GLN A 79 -17.407 -2.496 -1.070 1.00 0.93 H new ATOM 0 HE22 GLN A 79 -17.778 -3.767 -2.241 1.00 0.93 H new ATOM 848 N GLN A 80 -11.516 -0.794 0.068 1.00 0.21 N ATOM 849 CA GLN A 80 -10.362 -0.001 -0.368 1.00 0.22 C ATOM 850 C GLN A 80 -9.073 -0.744 0.009 1.00 0.27 C ATOM 851 O GLN A 80 -8.272 -1.071 -0.866 1.00 0.34 O ATOM 852 CB GLN A 80 -10.378 1.405 0.274 1.00 0.20 C ATOM 853 CG GLN A 80 -11.565 2.299 -0.125 1.00 0.27 C ATOM 854 CD GLN A 80 -11.761 3.505 0.802 1.00 0.63 C ATOM 855 OE1 GLN A 80 -10.828 4.098 1.332 1.00 0.33 O ATOM 856 NE2 GLN A 80 -12.992 3.908 1.031 1.00 1.51 N ATOM 0 H GLN A 80 -12.069 -0.341 0.796 1.00 0.21 H new ATOM 0 HA GLN A 80 -10.410 0.129 -1.449 1.00 0.22 H new ATOM 0 HB2 GLN A 80 -10.379 1.291 1.358 1.00 0.20 H new ATOM 0 HB3 GLN A 80 -9.453 1.918 0.008 1.00 0.20 H new ATOM 0 HG2 GLN A 80 -11.415 2.655 -1.144 1.00 0.27 H new ATOM 0 HG3 GLN A 80 -12.476 1.700 -0.127 1.00 0.27 H new ATOM 0 HE21 GLN A 80 -13.777 3.423 0.596 1.00 1.51 H new ATOM 0 HE22 GLN A 80 -13.162 4.706 1.644 1.00 1.51 H new ATOM 865 N HIS A 81 -8.912 -1.096 1.294 1.00 0.29 N ATOM 866 CA HIS A 81 -7.740 -1.814 1.806 1.00 0.36 C ATOM 867 C HIS A 81 -7.463 -3.122 1.048 1.00 0.39 C ATOM 868 O HIS A 81 -6.319 -3.336 0.654 1.00 0.40 O ATOM 869 CB HIS A 81 -7.913 -2.078 3.308 1.00 0.37 C ATOM 870 CG HIS A 81 -7.887 -0.843 4.177 1.00 0.42 C ATOM 871 ND1 HIS A 81 -8.539 -0.700 5.378 1.00 0.46 N ATOM 872 CD2 HIS A 81 -7.148 0.295 3.992 1.00 0.48 C ATOM 873 CE1 HIS A 81 -8.212 0.489 5.905 1.00 0.53 C ATOM 874 NE2 HIS A 81 -7.347 1.126 5.099 1.00 0.54 N ATOM 0 H HIS A 81 -9.603 -0.886 2.014 1.00 0.29 H new ATOM 0 HA HIS A 81 -6.869 -1.179 1.644 1.00 0.36 H new ATOM 0 HB2 HIS A 81 -8.860 -2.595 3.465 1.00 0.37 H new ATOM 0 HB3 HIS A 81 -7.123 -2.753 3.637 1.00 0.37 H new ATOM 0 HD2 HIS A 81 -6.521 0.513 3.140 1.00 0.48 H new ATOM 0 HE1 HIS A 81 -8.589 0.877 6.840 1.00 0.53 H new ATOM 0 HE2 HIS A 81 -6.919 2.037 5.262 1.00 0.54 H new ATOM 882 N GLN A 82 -8.475 -3.956 0.772 1.00 0.44 N ATOM 883 CA GLN A 82 -8.357 -5.224 0.032 1.00 0.50 C ATOM 884 C GLN A 82 -7.558 -5.082 -1.278 1.00 0.44 C ATOM 885 O GLN A 82 -6.673 -5.892 -1.552 1.00 0.46 O ATOM 886 CB GLN A 82 -9.777 -5.766 -0.222 1.00 0.62 C ATOM 887 CG GLN A 82 -9.883 -6.945 -1.208 1.00 0.68 C ATOM 888 CD GLN A 82 -9.054 -8.179 -0.854 1.00 0.90 C ATOM 889 OE1 GLN A 82 -9.085 -8.711 0.253 1.00 1.39 O ATOM 890 NE2 GLN A 82 -8.310 -8.727 -1.785 1.00 1.06 N ATOM 0 H GLN A 82 -9.432 -3.761 1.067 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.788 -5.932 0.635 1.00 0.50 H new ATOM 0 HB2 GLN A 82 -10.202 -6.077 0.732 1.00 0.62 H new ATOM 0 HB3 GLN A 82 -10.395 -4.949 -0.595 1.00 0.62 H new ATOM 0 HG2 GLN A 82 -10.929 -7.241 -1.281 1.00 0.68 H new ATOM 0 HG3 GLN A 82 -9.580 -6.597 -2.196 1.00 0.68 H new ATOM 0 HE21 GLN A 82 -8.264 -8.308 -2.714 1.00 1.06 H new ATOM 0 HE22 GLN A 82 -7.777 -9.572 -1.580 1.00 1.06 H new ATOM 899 N MET A 83 -7.799 -4.025 -2.056 1.00 0.39 N ATOM 900 CA MET A 83 -7.129 -3.791 -3.345 1.00 0.38 C ATOM 901 C MET A 83 -5.633 -3.521 -3.165 1.00 0.35 C ATOM 902 O MET A 83 -4.791 -4.039 -3.899 1.00 0.37 O ATOM 903 CB MET A 83 -7.801 -2.602 -4.058 1.00 0.36 C ATOM 904 CG MET A 83 -9.310 -2.826 -4.213 1.00 0.36 C ATOM 905 SD MET A 83 -10.357 -1.462 -4.807 1.00 0.94 S ATOM 906 CE MET A 83 -9.448 -0.908 -6.269 1.00 0.48 C ATOM 0 H MET A 83 -8.471 -3.298 -1.810 1.00 0.39 H new ATOM 0 HA MET A 83 -7.227 -4.692 -3.951 1.00 0.38 H new ATOM 0 HB2 MET A 83 -7.623 -1.688 -3.492 1.00 0.36 H new ATOM 0 HB3 MET A 83 -7.349 -2.462 -5.040 1.00 0.36 H new ATOM 0 HG2 MET A 83 -9.448 -3.665 -4.894 1.00 0.36 H new ATOM 0 HG3 MET A 83 -9.696 -3.137 -3.242 1.00 0.36 H new ATOM 0 HE1 MET A 83 -10.124 -0.375 -6.938 1.00 0.48 H new ATOM 0 HE2 MET A 83 -8.640 -0.243 -5.965 1.00 0.48 H new ATOM 0 HE3 MET A 83 -9.031 -1.772 -6.787 1.00 0.48 H new ATOM 916 N VAL A 84 -5.309 -2.721 -2.148 1.00 0.32 N ATOM 917 CA VAL A 84 -3.931 -2.372 -1.742 1.00 0.28 C ATOM 918 C VAL A 84 -3.217 -3.556 -1.073 1.00 0.31 C ATOM 919 O VAL A 84 -2.006 -3.693 -1.193 1.00 0.29 O ATOM 920 CB VAL A 84 -3.921 -1.183 -0.755 1.00 0.24 C ATOM 921 CG1 VAL A 84 -2.542 -0.522 -0.661 1.00 0.23 C ATOM 922 CG2 VAL A 84 -4.936 -0.094 -1.088 1.00 0.23 C ATOM 0 H VAL A 84 -6.016 -2.280 -1.560 1.00 0.32 H new ATOM 0 HA VAL A 84 -3.404 -2.100 -2.657 1.00 0.28 H new ATOM 0 HB VAL A 84 -4.195 -1.634 0.199 1.00 0.24 H new ATOM 0 HG11 VAL A 84 -2.584 0.308 0.044 1.00 0.23 H new ATOM 0 HG12 VAL A 84 -1.811 -1.253 -0.318 1.00 0.23 H new ATOM 0 HG13 VAL A 84 -2.249 -0.150 -1.643 1.00 0.23 H new ATOM 0 HG21 VAL A 84 -4.868 0.705 -0.350 1.00 0.23 H new ATOM 0 HG22 VAL A 84 -4.726 0.308 -2.079 1.00 0.23 H new ATOM 0 HG23 VAL A 84 -5.941 -0.516 -1.073 1.00 0.23 H new ATOM 932 N ASN A 85 -3.968 -4.438 -0.404 1.00 0.37 N ATOM 933 CA ASN A 85 -3.486 -5.635 0.287 1.00 0.35 C ATOM 934 C ASN A 85 -3.010 -6.638 -0.766 1.00 0.30 C ATOM 935 O ASN A 85 -1.874 -7.102 -0.735 1.00 0.27 O ATOM 936 CB ASN A 85 -4.636 -6.237 1.135 1.00 0.48 C ATOM 937 CG ASN A 85 -4.722 -5.783 2.576 1.00 0.58 C ATOM 938 OD1 ASN A 85 -4.634 -6.570 3.512 1.00 0.89 O ATOM 939 ND2 ASN A 85 -4.977 -4.521 2.785 1.00 0.43 N ATOM 0 H ASN A 85 -4.979 -4.329 -0.327 1.00 0.37 H new ATOM 0 HA ASN A 85 -2.660 -5.389 0.954 1.00 0.35 H new ATOM 0 HB2 ASN A 85 -5.581 -6.000 0.646 1.00 0.48 H new ATOM 0 HB3 ASN A 85 -4.535 -7.322 1.125 1.00 0.48 H new ATOM 0 HD21 ASN A 85 -5.106 -4.178 3.737 1.00 0.43 H new ATOM 0 HD22 ASN A 85 -5.047 -3.878 1.997 1.00 0.43 H new ATOM 946 N GLN A 86 -3.858 -6.928 -1.755 1.00 0.33 N ATOM 947 CA GLN A 86 -3.552 -7.918 -2.782 1.00 0.33 C ATOM 948 C GLN A 86 -2.429 -7.487 -3.744 1.00 0.31 C ATOM 949 O GLN A 86 -1.796 -8.340 -4.366 1.00 0.39 O ATOM 950 CB GLN A 86 -4.836 -8.235 -3.553 1.00 0.49 C ATOM 951 CG GLN A 86 -5.332 -9.677 -3.366 1.00 0.81 C ATOM 952 CD GLN A 86 -4.290 -10.771 -3.585 1.00 1.27 C ATOM 953 OE1 GLN A 86 -4.053 -11.606 -2.724 1.00 2.56 O ATOM 954 NE2 GLN A 86 -3.637 -10.835 -4.719 1.00 1.82 N ATOM 0 H GLN A 86 -4.770 -6.485 -1.864 1.00 0.33 H new ATOM 0 HA GLN A 86 -3.174 -8.808 -2.279 1.00 0.33 H new ATOM 0 HB2 GLN A 86 -5.619 -7.547 -3.234 1.00 0.49 H new ATOM 0 HB3 GLN A 86 -4.665 -8.054 -4.614 1.00 0.49 H new ATOM 0 HG2 GLN A 86 -5.729 -9.777 -2.356 1.00 0.81 H new ATOM 0 HG3 GLN A 86 -6.161 -9.848 -4.053 1.00 0.81 H new ATOM 0 HE21 GLN A 86 -3.819 -10.149 -5.452 1.00 1.82 H new ATOM 0 HE22 GLN A 86 -2.947 -11.571 -4.869 1.00 1.82 H new ATOM 963 N ALA A 87 -2.138 -6.185 -3.834 1.00 0.28 N ATOM 964 CA ALA A 87 -1.086 -5.640 -4.687 1.00 0.28 C ATOM 965 C ALA A 87 0.283 -6.252 -4.359 1.00 0.27 C ATOM 966 O ALA A 87 1.027 -6.617 -5.271 1.00 0.39 O ATOM 967 CB ALA A 87 -1.066 -4.115 -4.515 1.00 0.28 C ATOM 0 H ALA A 87 -2.638 -5.471 -3.305 1.00 0.28 H new ATOM 0 HA ALA A 87 -1.296 -5.893 -5.726 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -0.286 -3.688 -5.145 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -2.033 -3.703 -4.806 1.00 0.28 H new ATOM 0 HB3 ALA A 87 -0.866 -3.869 -3.472 1.00 0.28 H new ATOM 973 N LEU A 88 0.585 -6.417 -3.066 1.00 0.22 N ATOM 974 CA LEU A 88 1.881 -6.914 -2.587 1.00 0.24 C ATOM 975 C LEU A 88 1.824 -8.196 -1.748 1.00 0.26 C ATOM 976 O LEU A 88 2.873 -8.750 -1.428 1.00 0.32 O ATOM 977 CB LEU A 88 2.672 -5.769 -1.940 1.00 0.28 C ATOM 978 CG LEU A 88 2.350 -5.310 -0.499 1.00 0.29 C ATOM 979 CD1 LEU A 88 0.870 -5.100 -0.207 1.00 0.32 C ATOM 980 CD2 LEU A 88 2.943 -6.245 0.546 1.00 0.29 C ATOM 0 H LEU A 88 -0.071 -6.207 -2.314 1.00 0.22 H new ATOM 0 HA LEU A 88 2.433 -7.253 -3.464 1.00 0.24 H new ATOM 0 HB2 LEU A 88 3.724 -6.053 -1.960 1.00 0.28 H new ATOM 0 HB3 LEU A 88 2.565 -4.898 -2.587 1.00 0.28 H new ATOM 0 HG LEU A 88 2.824 -4.331 -0.431 1.00 0.29 H new ATOM 0 HD11 LEU A 88 0.745 -4.779 0.827 1.00 0.32 H new ATOM 0 HD12 LEU A 88 0.472 -4.335 -0.874 1.00 0.32 H new ATOM 0 HD13 LEU A 88 0.332 -6.035 -0.365 1.00 0.32 H new ATOM 0 HD21 LEU A 88 2.691 -5.883 1.543 1.00 0.29 H new ATOM 0 HD22 LEU A 88 2.536 -7.247 0.410 1.00 0.29 H new ATOM 0 HD23 LEU A 88 4.027 -6.275 0.434 1.00 0.29 H new ATOM 992 N LYS A 89 0.633 -8.719 -1.440 1.00 0.26 N ATOM 993 CA LYS A 89 0.427 -9.927 -0.639 1.00 0.33 C ATOM 994 C LYS A 89 1.199 -11.132 -1.152 1.00 0.37 C ATOM 995 O LYS A 89 1.678 -11.953 -0.369 1.00 0.45 O ATOM 996 CB LYS A 89 -1.082 -10.182 -0.649 1.00 0.41 C ATOM 997 CG LYS A 89 -1.535 -11.566 -0.180 1.00 0.49 C ATOM 998 CD LYS A 89 -2.939 -11.427 0.428 1.00 0.87 C ATOM 999 CE LYS A 89 -3.759 -12.686 0.198 1.00 1.79 C ATOM 1000 NZ LYS A 89 -5.124 -12.541 0.754 1.00 1.95 N ATOM 0 H LYS A 89 -0.242 -8.298 -1.752 1.00 0.26 H new ATOM 0 HA LYS A 89 0.809 -9.775 0.370 1.00 0.33 H new ATOM 0 HB2 LYS A 89 -1.561 -9.433 -0.018 1.00 0.41 H new ATOM 0 HB3 LYS A 89 -1.449 -10.027 -1.663 1.00 0.41 H new ATOM 0 HG2 LYS A 89 -1.550 -12.265 -1.016 1.00 0.49 H new ATOM 0 HG3 LYS A 89 -0.838 -11.965 0.557 1.00 0.49 H new ATOM 0 HD2 LYS A 89 -2.858 -11.231 1.497 1.00 0.87 H new ATOM 0 HD3 LYS A 89 -3.448 -10.571 -0.015 1.00 0.87 H new ATOM 0 HE2 LYS A 89 -3.818 -12.895 -0.870 1.00 1.79 H new ATOM 0 HE3 LYS A 89 -3.262 -13.538 0.663 1.00 1.79 H new ATOM 0 HZ1 LYS A 89 -5.663 -13.414 0.584 1.00 1.95 H new ATOM 0 HZ2 LYS A 89 -5.065 -12.365 1.777 1.00 1.95 H new ATOM 0 HZ3 LYS A 89 -5.604 -11.742 0.292 1.00 1.95 H new ATOM 1014 N GLU A 90 1.347 -11.240 -2.466 1.00 0.41 N ATOM 1015 CA GLU A 90 1.956 -12.381 -3.099 1.00 0.55 C ATOM 1016 C GLU A 90 3.494 -12.227 -3.196 1.00 0.59 C ATOM 1017 O GLU A 90 4.198 -13.143 -3.626 1.00 0.81 O ATOM 1018 CB GLU A 90 1.220 -12.554 -4.428 1.00 0.71 C ATOM 1019 CG GLU A 90 -0.188 -13.150 -4.230 1.00 0.98 C ATOM 1020 CD GLU A 90 -1.025 -13.217 -5.515 1.00 1.26 C ATOM 1021 OE1 GLU A 90 -0.471 -13.278 -6.634 1.00 1.54 O ATOM 1022 OE2 GLU A 90 -2.280 -13.237 -5.419 1.00 2.32 O ATOM 0 H GLU A 90 1.040 -10.523 -3.123 1.00 0.41 H new ATOM 0 HA GLU A 90 1.851 -13.298 -2.519 1.00 0.55 H new ATOM 0 HB2 GLU A 90 1.139 -11.588 -4.927 1.00 0.71 H new ATOM 0 HB3 GLU A 90 1.801 -13.203 -5.083 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -0.091 -14.155 -3.819 1.00 0.98 H new ATOM 0 HG3 GLU A 90 -0.723 -12.554 -3.491 1.00 0.98 H new ATOM 1029 N GLU A 91 4.025 -11.081 -2.749 1.00 0.48 N ATOM 1030 CA GLU A 91 5.435 -10.778 -2.487 1.00 0.51 C ATOM 1031 C GLU A 91 5.777 -10.852 -0.984 1.00 0.52 C ATOM 1032 O GLU A 91 6.812 -11.419 -0.617 1.00 0.61 O ATOM 1033 CB GLU A 91 5.725 -9.353 -3.000 1.00 0.54 C ATOM 1034 CG GLU A 91 6.264 -9.227 -4.423 1.00 0.68 C ATOM 1035 CD GLU A 91 5.497 -10.046 -5.472 1.00 1.87 C ATOM 1036 OE1 GLU A 91 5.992 -11.126 -5.880 1.00 2.41 O ATOM 1037 OE2 GLU A 91 4.408 -9.614 -5.921 1.00 3.09 O ATOM 0 H GLU A 91 3.430 -10.278 -2.545 1.00 0.48 H new ATOM 0 HA GLU A 91 6.047 -11.520 -3.000 1.00 0.51 H new ATOM 0 HB2 GLU A 91 4.803 -8.775 -2.934 1.00 0.54 H new ATOM 0 HB3 GLU A 91 6.442 -8.888 -2.323 1.00 0.54 H new ATOM 0 HG2 GLU A 91 6.242 -8.177 -4.714 1.00 0.68 H new ATOM 0 HG3 GLU A 91 7.309 -9.538 -4.431 1.00 0.68 H new ATOM 1044 N ILE A 92 4.927 -10.259 -0.134 1.00 0.53 N ATOM 1045 CA ILE A 92 5.000 -10.212 1.334 1.00 0.58 C ATOM 1046 C ILE A 92 3.564 -10.242 1.873 1.00 0.54 C ATOM 1047 O ILE A 92 2.832 -9.269 1.732 1.00 0.62 O ATOM 1048 CB ILE A 92 5.712 -8.932 1.835 1.00 0.60 C ATOM 1049 CG1 ILE A 92 7.119 -8.804 1.218 1.00 0.81 C ATOM 1050 CG2 ILE A 92 5.761 -8.930 3.380 1.00 0.67 C ATOM 1051 CD1 ILE A 92 7.937 -7.639 1.766 1.00 0.95 C ATOM 0 H ILE A 92 4.107 -9.761 -0.481 1.00 0.53 H new ATOM 0 HA ILE A 92 5.578 -11.065 1.690 1.00 0.58 H new ATOM 0 HB ILE A 92 5.143 -8.060 1.511 1.00 0.60 H new ATOM 0 HG12 ILE A 92 7.666 -9.731 1.392 1.00 0.81 H new ATOM 0 HG13 ILE A 92 7.021 -8.689 0.138 1.00 0.81 H new ATOM 0 HG21 ILE A 92 6.263 -8.027 3.727 1.00 0.67 H new ATOM 0 HG22 ILE A 92 4.746 -8.956 3.776 1.00 0.67 H new ATOM 0 HG23 ILE A 92 6.309 -9.806 3.728 1.00 0.67 H new ATOM 0 HD11 ILE A 92 8.913 -7.619 1.281 1.00 0.95 H new ATOM 0 HD12 ILE A 92 7.415 -6.703 1.569 1.00 0.95 H new ATOM 0 HD13 ILE A 92 8.069 -7.761 2.841 1.00 0.95 H new ATOM 1063 N LYS A 93 3.127 -11.324 2.519 1.00 0.54 N ATOM 1064 CA LYS A 93 1.726 -11.482 2.935 1.00 0.54 C ATOM 1065 C LYS A 93 1.349 -10.871 4.294 1.00 0.54 C ATOM 1066 O LYS A 93 0.214 -10.975 4.758 1.00 0.52 O ATOM 1067 CB LYS A 93 1.400 -12.971 2.872 1.00 0.68 C ATOM 1068 CG LYS A 93 2.080 -13.812 3.963 1.00 1.53 C ATOM 1069 CD LYS A 93 1.756 -15.308 3.867 1.00 1.50 C ATOM 1070 CE LYS A 93 2.506 -16.010 2.728 1.00 1.97 C ATOM 1071 NZ LYS A 93 2.403 -17.486 2.821 1.00 2.35 N ATOM 0 H LYS A 93 3.726 -12.111 2.769 1.00 0.54 H new ATOM 0 HA LYS A 93 1.116 -10.900 2.244 1.00 0.54 H new ATOM 0 HB2 LYS A 93 0.320 -13.099 2.951 1.00 0.68 H new ATOM 0 HB3 LYS A 93 1.696 -13.355 1.896 1.00 0.68 H new ATOM 0 HG2 LYS A 93 3.159 -13.676 3.896 1.00 1.53 H new ATOM 0 HG3 LYS A 93 1.772 -13.443 4.941 1.00 1.53 H new ATOM 0 HD2 LYS A 93 2.007 -15.790 4.812 1.00 1.50 H new ATOM 0 HD3 LYS A 93 0.683 -15.433 3.720 1.00 1.50 H new ATOM 0 HE2 LYS A 93 2.104 -15.678 1.771 1.00 1.97 H new ATOM 0 HE3 LYS A 93 3.556 -15.718 2.751 1.00 1.97 H new ATOM 0 HZ1 LYS A 93 2.924 -17.921 2.033 1.00 2.35 H new ATOM 0 HZ2 LYS A 93 2.810 -17.806 3.723 1.00 2.35 H new ATOM 0 HZ3 LYS A 93 1.403 -17.768 2.773 1.00 2.35 H new ATOM 1085 N GLU A 94 2.337 -10.294 4.955 1.00 0.64 N ATOM 1086 CA GLU A 94 2.391 -9.903 6.369 1.00 0.64 C ATOM 1087 C GLU A 94 1.632 -8.613 6.742 1.00 0.59 C ATOM 1088 O GLU A 94 2.112 -7.800 7.537 1.00 0.69 O ATOM 1089 CB GLU A 94 3.872 -9.878 6.792 1.00 0.86 C ATOM 1090 CG GLU A 94 4.170 -10.876 7.912 1.00 1.57 C ATOM 1091 CD GLU A 94 5.670 -10.941 8.209 1.00 2.27 C ATOM 1092 OE1 GLU A 94 6.467 -11.432 7.366 1.00 2.70 O ATOM 1093 OE2 GLU A 94 6.087 -10.532 9.315 1.00 3.59 O ATOM 0 H GLU A 94 3.208 -10.062 4.478 1.00 0.64 H new ATOM 0 HA GLU A 94 1.839 -10.651 6.939 1.00 0.64 H new ATOM 0 HB2 GLU A 94 4.498 -10.105 5.929 1.00 0.86 H new ATOM 0 HB3 GLU A 94 4.137 -8.874 7.123 1.00 0.86 H new ATOM 0 HG2 GLU A 94 3.630 -10.587 8.814 1.00 1.57 H new ATOM 0 HG3 GLU A 94 3.809 -11.865 7.628 1.00 1.57 H new ATOM 1100 N MET A 95 0.415 -8.422 6.226 1.00 0.56 N ATOM 1101 CA MET A 95 -0.411 -7.229 6.489 1.00 0.61 C ATOM 1102 C MET A 95 -0.824 -7.035 7.964 1.00 0.53 C ATOM 1103 O MET A 95 -1.444 -6.021 8.285 1.00 0.62 O ATOM 1104 CB MET A 95 -1.613 -7.157 5.527 1.00 0.71 C ATOM 1105 CG MET A 95 -1.217 -6.633 4.137 1.00 0.95 C ATOM 1106 SD MET A 95 -0.138 -7.690 3.137 1.00 0.98 S ATOM 1107 CE MET A 95 -1.318 -8.997 2.722 1.00 1.28 C ATOM 0 H MET A 95 -0.034 -9.096 5.606 1.00 0.56 H new ATOM 0 HA MET A 95 0.240 -6.379 6.285 1.00 0.61 H new ATOM 0 HB2 MET A 95 -2.055 -8.148 5.427 1.00 0.71 H new ATOM 0 HB3 MET A 95 -2.378 -6.508 5.953 1.00 0.71 H new ATOM 0 HG2 MET A 95 -2.130 -6.449 3.571 1.00 0.95 H new ATOM 0 HG3 MET A 95 -0.723 -5.670 4.266 1.00 0.95 H new ATOM 0 HE1 MET A 95 -0.822 -9.756 2.117 1.00 1.28 H new ATOM 0 HE2 MET A 95 -1.694 -9.452 3.638 1.00 1.28 H new ATOM 0 HE3 MET A 95 -2.150 -8.571 2.160 1.00 1.28 H new ATOM 1117 N HIS A 96 -0.383 -7.914 8.873 1.00 0.44 N ATOM 1118 CA HIS A 96 -0.385 -7.682 10.329 1.00 0.43 C ATOM 1119 C HIS A 96 0.452 -6.454 10.751 1.00 0.39 C ATOM 1120 O HIS A 96 0.199 -5.844 11.791 1.00 0.61 O ATOM 1121 CB HIS A 96 0.151 -8.961 10.997 1.00 0.60 C ATOM 1122 CG HIS A 96 0.247 -8.918 12.505 1.00 1.59 C ATOM 1123 ND1 HIS A 96 -0.623 -9.514 13.388 1.00 3.05 N ATOM 1124 CD2 HIS A 96 1.255 -8.365 13.252 1.00 2.32 C ATOM 1125 CE1 HIS A 96 -0.155 -9.337 14.632 1.00 4.14 C ATOM 1126 NE2 HIS A 96 0.994 -8.634 14.605 1.00 3.74 N ATOM 0 H HIS A 96 -0.006 -8.826 8.615 1.00 0.44 H new ATOM 0 HA HIS A 96 -1.403 -7.461 10.649 1.00 0.43 H new ATOM 0 HB2 HIS A 96 -0.493 -9.794 10.715 1.00 0.60 H new ATOM 0 HB3 HIS A 96 1.141 -9.173 10.593 1.00 0.60 H new ATOM 0 HD2 HIS A 96 2.102 -7.818 12.867 1.00 2.32 H new ATOM 0 HE1 HIS A 96 -0.631 -9.706 15.528 1.00 4.14 H new ATOM 0 HE2 HIS A 96 1.560 -8.354 15.406 1.00 3.74 H new ATOM 1134 N GLY A 97 1.453 -6.114 9.938 1.00 0.34 N ATOM 1135 CA GLY A 97 2.393 -4.999 10.115 1.00 0.38 C ATOM 1136 C GLY A 97 2.162 -3.809 9.182 1.00 0.31 C ATOM 1137 O GLY A 97 2.846 -2.795 9.297 1.00 0.46 O ATOM 0 H GLY A 97 1.643 -6.640 9.085 1.00 0.34 H new ATOM 0 HA2 GLY A 97 2.332 -4.651 11.146 1.00 0.38 H new ATOM 0 HA3 GLY A 97 3.407 -5.370 9.963 1.00 0.38 H new ATOM 1141 N LEU A 98 1.269 -3.937 8.202 1.00 0.33 N ATOM 1142 CA LEU A 98 1.081 -2.906 7.181 1.00 0.37 C ATOM 1143 C LEU A 98 -0.077 -1.978 7.529 1.00 0.47 C ATOM 1144 O LEU A 98 -1.212 -2.407 7.752 1.00 0.74 O ATOM 1145 CB LEU A 98 1.045 -3.469 5.761 1.00 0.50 C ATOM 1146 CG LEU A 98 2.483 -3.773 5.296 1.00 0.63 C ATOM 1147 CD1 LEU A 98 2.998 -5.142 5.701 1.00 1.59 C ATOM 1148 CD2 LEU A 98 2.595 -3.622 3.796 1.00 1.08 C ATOM 0 H LEU A 98 0.661 -4.749 8.093 1.00 0.33 H new ATOM 0 HA LEU A 98 1.970 -2.276 7.185 1.00 0.37 H new ATOM 0 HB2 LEU A 98 0.442 -4.377 5.733 1.00 0.50 H new ATOM 0 HB3 LEU A 98 0.576 -2.753 5.086 1.00 0.50 H new ATOM 0 HG LEU A 98 3.110 -3.043 5.808 1.00 0.63 H new ATOM 0 HD11 LEU A 98 4.016 -5.271 5.333 1.00 1.59 H new ATOM 0 HD12 LEU A 98 2.992 -5.226 6.788 1.00 1.59 H new ATOM 0 HD13 LEU A 98 2.357 -5.913 5.274 1.00 1.59 H new ATOM 0 HD21 LEU A 98 3.616 -3.840 3.484 1.00 1.08 H new ATOM 0 HD22 LEU A 98 1.910 -4.316 3.308 1.00 1.08 H new ATOM 0 HD23 LEU A 98 2.339 -2.601 3.513 1.00 1.08 H new ATOM 1160 N ARG A 99 0.260 -0.694 7.586 1.00 0.34 N ATOM 1161 CA ARG A 99 -0.594 0.423 7.995 1.00 0.34 C ATOM 1162 C ARG A 99 -1.002 1.217 6.759 1.00 0.33 C ATOM 1163 O ARG A 99 -0.195 1.974 6.220 1.00 0.35 O ATOM 1164 CB ARG A 99 0.163 1.250 9.039 1.00 0.35 C ATOM 1165 CG ARG A 99 -0.819 2.113 9.832 1.00 0.44 C ATOM 1166 CD ARG A 99 -0.035 3.061 10.726 1.00 0.56 C ATOM 1167 NE ARG A 99 -0.936 3.786 11.626 1.00 1.48 N ATOM 1168 CZ ARG A 99 -0.664 4.849 12.353 1.00 2.03 C ATOM 1169 NH1 ARG A 99 0.461 5.496 12.314 1.00 1.97 N ATOM 1170 NH2 ARG A 99 -1.553 5.304 13.172 1.00 3.05 N ATOM 0 H ARG A 99 1.197 -0.382 7.332 1.00 0.34 H new ATOM 0 HA ARG A 99 -1.519 0.083 8.461 1.00 0.34 H new ATOM 0 HB2 ARG A 99 0.707 0.589 9.714 1.00 0.35 H new ATOM 0 HB3 ARG A 99 0.902 1.883 8.548 1.00 0.35 H new ATOM 0 HG2 ARG A 99 -1.457 2.678 9.153 1.00 0.44 H new ATOM 0 HG3 ARG A 99 -1.473 1.482 10.434 1.00 0.44 H new ATOM 0 HD2 ARG A 99 0.695 2.499 11.309 1.00 0.56 H new ATOM 0 HD3 ARG A 99 0.523 3.769 10.113 1.00 0.56 H new ATOM 0 HE ARG A 99 -1.887 3.424 11.698 1.00 1.48 H new ATOM 0 HH11 ARG A 99 1.206 5.187 11.689 1.00 1.97 H new ATOM 0 HH12 ARG A 99 0.600 6.313 12.908 1.00 1.97 H new ATOM 0 HH21 ARG A 99 -2.458 4.840 13.252 1.00 3.05 H new ATOM 0 HH22 ARG A 99 -1.350 6.127 13.739 1.00 3.05 H new ATOM 1184 N ILE A 100 -2.218 0.979 6.270 1.00 0.30 N ATOM 1185 CA ILE A 100 -2.681 1.482 4.967 1.00 0.25 C ATOM 1186 C ILE A 100 -3.700 2.586 5.122 1.00 0.22 C ATOM 1187 O ILE A 100 -4.565 2.580 5.995 1.00 0.26 O ATOM 1188 CB ILE A 100 -3.192 0.356 4.024 1.00 0.27 C ATOM 1189 CG1 ILE A 100 -2.369 -0.947 4.132 1.00 0.37 C ATOM 1190 CG2 ILE A 100 -3.257 0.849 2.566 1.00 0.34 C ATOM 1191 CD1 ILE A 100 -2.803 -2.052 3.162 1.00 0.43 C ATOM 0 H ILE A 100 -2.919 0.428 6.766 1.00 0.30 H new ATOM 0 HA ILE A 100 -1.804 1.909 4.481 1.00 0.25 H new ATOM 0 HB ILE A 100 -4.200 0.109 4.357 1.00 0.27 H new ATOM 0 HG12 ILE A 100 -1.319 -0.715 3.953 1.00 0.37 H new ATOM 0 HG13 ILE A 100 -2.443 -1.326 5.151 1.00 0.37 H new ATOM 0 HG21 ILE A 100 -3.617 0.044 1.925 1.00 0.34 H new ATOM 0 HG22 ILE A 100 -3.937 1.698 2.499 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -2.263 1.154 2.241 1.00 0.34 H new ATOM 0 HD11 ILE A 100 -2.173 -2.930 3.305 1.00 0.43 H new ATOM 0 HD12 ILE A 100 -3.843 -2.316 3.353 1.00 0.43 H new ATOM 0 HD13 ILE A 100 -2.702 -1.696 2.137 1.00 0.43 H new ATOM 1203 N PHE A 101 -3.530 3.537 4.222 1.00 0.20 N ATOM 1204 CA PHE A 101 -4.215 4.794 4.138 1.00 0.19 C ATOM 1205 C PHE A 101 -4.701 4.955 2.691 1.00 0.18 C ATOM 1206 O PHE A 101 -3.908 4.862 1.755 1.00 0.33 O ATOM 1207 CB PHE A 101 -3.160 5.827 4.533 1.00 0.24 C ATOM 1208 CG PHE A 101 -2.713 5.821 5.980 1.00 0.29 C ATOM 1209 CD1 PHE A 101 -1.582 5.072 6.346 1.00 1.84 C ATOM 1210 CD2 PHE A 101 -3.392 6.579 6.951 1.00 1.69 C ATOM 1211 CE1 PHE A 101 -1.136 5.064 7.674 1.00 1.85 C ATOM 1212 CE2 PHE A 101 -2.942 6.578 8.285 1.00 1.74 C ATOM 1213 CZ PHE A 101 -1.815 5.819 8.649 1.00 0.53 C ATOM 0 H PHE A 101 -2.848 3.431 3.471 1.00 0.20 H new ATOM 0 HA PHE A 101 -5.090 4.892 4.781 1.00 0.19 H new ATOM 0 HB2 PHE A 101 -2.282 5.675 3.905 1.00 0.24 H new ATOM 0 HB3 PHE A 101 -3.550 6.818 4.301 1.00 0.24 H new ATOM 0 HD1 PHE A 101 -1.053 4.499 5.599 1.00 1.84 H new ATOM 0 HD2 PHE A 101 -4.258 7.161 6.673 1.00 1.69 H new ATOM 0 HE1 PHE A 101 -0.271 4.479 7.950 1.00 1.85 H new ATOM 0 HE2 PHE A 101 -3.463 7.161 9.030 1.00 1.74 H new ATOM 0 HZ PHE A 101 -1.472 5.816 9.673 1.00 0.53 H new ATOM 1223 N THR A 102 -6.000 5.147 2.483 1.00 0.15 N ATOM 1224 CA THR A 102 -6.641 5.248 1.156 1.00 0.16 C ATOM 1225 C THR A 102 -7.650 6.383 1.160 1.00 0.17 C ATOM 1226 O THR A 102 -8.409 6.553 2.115 1.00 0.31 O ATOM 1227 CB THR A 102 -7.412 3.969 0.777 1.00 0.18 C ATOM 1228 OG1 THR A 102 -8.225 3.499 1.833 1.00 0.21 O ATOM 1229 CG2 THR A 102 -6.480 2.818 0.413 1.00 0.23 C ATOM 0 H THR A 102 -6.665 5.241 3.251 1.00 0.15 H new ATOM 0 HA THR A 102 -5.839 5.414 0.437 1.00 0.16 H new ATOM 0 HB THR A 102 -8.020 4.261 -0.079 1.00 0.18 H new ATOM 0 HG1 THR A 102 -9.169 3.604 1.591 1.00 0.21 H new ATOM 0 HG21 THR A 102 -7.071 1.940 0.154 1.00 0.23 H new ATOM 0 HG22 THR A 102 -5.863 3.105 -0.439 1.00 0.23 H new ATOM 0 HG23 THR A 102 -5.839 2.586 1.264 1.00 0.23 H new ATOM 1237 N SER A 103 -7.709 7.128 0.063 1.00 0.32 N ATOM 1238 CA SER A 103 -8.783 8.083 -0.217 1.00 0.27 C ATOM 1239 C SER A 103 -9.214 8.005 -1.678 1.00 0.20 C ATOM 1240 O SER A 103 -8.744 7.185 -2.464 1.00 0.25 O ATOM 1241 CB SER A 103 -8.377 9.482 0.286 1.00 0.29 C ATOM 1242 OG SER A 103 -8.920 10.619 -0.359 1.00 2.24 O ATOM 0 H SER A 103 -7.002 7.088 -0.671 1.00 0.32 H new ATOM 0 HA SER A 103 -9.685 7.825 0.339 1.00 0.27 H new ATOM 0 HB2 SER A 103 -8.641 9.543 1.342 1.00 0.29 H new ATOM 0 HB3 SER A 103 -7.291 9.554 0.224 1.00 0.29 H new ATOM 0 HG SER A 103 -8.200 11.249 -0.571 1.00 2.24 H new ATOM 1248 N VAL A 104 -10.145 8.867 -2.031 1.00 0.25 N ATOM 1249 CA VAL A 104 -10.689 9.042 -3.372 1.00 0.24 C ATOM 1250 C VAL A 104 -11.062 10.510 -3.560 1.00 0.39 C ATOM 1251 O VAL A 104 -11.641 11.103 -2.645 1.00 0.55 O ATOM 1252 CB VAL A 104 -11.876 8.091 -3.585 1.00 0.30 C ATOM 1253 CG1 VAL A 104 -12.993 8.229 -2.564 1.00 0.43 C ATOM 1254 CG2 VAL A 104 -12.493 8.204 -4.975 1.00 0.40 C ATOM 0 H VAL A 104 -10.570 9.502 -1.356 1.00 0.25 H new ATOM 0 HA VAL A 104 -9.948 8.786 -4.129 1.00 0.24 H new ATOM 0 HB VAL A 104 -11.417 7.110 -3.459 1.00 0.30 H new ATOM 0 HG11 VAL A 104 -13.787 7.518 -2.795 1.00 0.43 H new ATOM 0 HG12 VAL A 104 -12.602 8.025 -1.567 1.00 0.43 H new ATOM 0 HG13 VAL A 104 -13.393 9.243 -2.597 1.00 0.43 H new ATOM 0 HG21 VAL A 104 -13.326 7.506 -5.061 1.00 0.40 H new ATOM 0 HG22 VAL A 104 -12.853 9.221 -5.132 1.00 0.40 H new ATOM 0 HG23 VAL A 104 -11.741 7.966 -5.727 1.00 0.40 H new ATOM 1264 N PRO A 105 -10.732 11.124 -4.705 1.00 0.51 N ATOM 1265 CA PRO A 105 -11.135 12.490 -5.019 1.00 0.75 C ATOM 1266 C PRO A 105 -12.640 12.554 -5.327 1.00 1.07 C ATOM 1267 O PRO A 105 -13.101 12.259 -6.436 1.00 1.17 O ATOM 1268 CB PRO A 105 -10.208 12.939 -6.144 1.00 0.91 C ATOM 1269 CG PRO A 105 -9.774 11.635 -6.816 1.00 0.76 C ATOM 1270 CD PRO A 105 -9.862 10.580 -5.733 1.00 0.53 C ATOM 0 HA PRO A 105 -11.026 13.183 -4.185 1.00 0.75 H new ATOM 0 HB2 PRO A 105 -10.722 13.596 -6.845 1.00 0.91 H new ATOM 0 HB3 PRO A 105 -9.352 13.492 -5.758 1.00 0.91 H new ATOM 0 HG2 PRO A 105 -10.423 11.391 -7.657 1.00 0.76 H new ATOM 0 HG3 PRO A 105 -8.760 11.713 -7.208 1.00 0.76 H new ATOM 0 HD2 PRO A 105 -10.264 9.648 -6.130 1.00 0.53 H new ATOM 0 HD3 PRO A 105 -8.875 10.355 -5.328 1.00 0.53 H new