USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot -77:sc= 1.09 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -2.5 K(o=-1.4,f=-11!) USER MOD Set 2.1: A 28 TYR OH : rot 31:sc= -0.176 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= -2.07! (180deg=-4.48!) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0667) USER MOD Single : A 14 HIS : no HE2:sc= 0.0986 K(o=0.099,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.204) USER MOD Single : A 17 THR OG1 : rot 30:sc= 1.26 USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -1.43! (180deg=-5.49!) USER MOD Single : A 24 MET CE :methyl 140:sc= -0.457 (180deg=-2.55!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.05! C(o=-5!,f=-12!) USER MOD Single : A 35 THR OG1 : rot -98:sc= 0.964 USER MOD Single : A 40 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.11) USER MOD Single : A 41 THR OG1 : rot 116:sc= 0.683 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.19 (180deg=-0.0449) USER MOD Single : A 59 ASN : amide:sc= -0.0947 X(o=-0.095,f=-0.17) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 78:sc= 0.99 USER MOD Single : A 65 SER OG : rot 116:sc= 1.03 USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 1.87 (180deg=-0.0982!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.812 (180deg=0.125) USER MOD Single : A 73 TYR OH : rot 79:sc= -1.4! USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 0.701 (180deg=-2.69!) USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= -3.09 (180deg=-6.42!) USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= -1.17! (180deg=-2.35!) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -1.15! (180deg=-2.2!) USER MOD Single : A 84 TYR OH : rot -170:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.343 0.970 -0.753 1.00 0.79 N ATOM 42 CA GLU A 4 6.289 -0.068 -0.320 1.00 0.80 C ATOM 43 C GLU A 4 7.501 -0.025 -1.190 1.00 0.56 C ATOM 44 O GLU A 4 8.613 -0.273 -0.776 1.00 0.57 O ATOM 45 CB GLU A 4 5.545 -1.388 -0.389 1.00 0.99 C ATOM 46 CG GLU A 4 4.661 -1.644 0.898 1.00 1.06 C ATOM 47 CD GLU A 4 3.859 -0.434 1.403 1.00 0.83 C ATOM 48 OE1 GLU A 4 2.956 -0.033 0.695 1.00 0.86 O ATOM 49 OE2 GLU A 4 4.215 0.014 2.483 1.00 2.00 O ATOM 0 HA GLU A 4 6.645 0.081 0.699 1.00 0.80 H new ATOM 0 HB2 GLU A 4 4.908 -1.398 -1.273 1.00 0.99 H new ATOM 0 HB3 GLU A 4 6.262 -2.201 -0.503 1.00 0.99 H new ATOM 0 HG2 GLU A 4 3.965 -2.455 0.684 1.00 1.06 H new ATOM 0 HG3 GLU A 4 5.312 -1.987 1.702 1.00 1.06 H new ATOM 56 N PHE A 5 7.184 0.350 -2.390 1.00 0.40 N ATOM 57 CA PHE A 5 8.185 0.464 -3.444 1.00 0.19 C ATOM 58 C PHE A 5 8.887 1.825 -3.349 1.00 0.13 C ATOM 59 O PHE A 5 10.096 1.857 -3.314 1.00 0.22 O ATOM 60 CB PHE A 5 7.394 0.270 -4.670 1.00 0.28 C ATOM 61 CG PHE A 5 8.324 0.636 -5.818 1.00 0.23 C ATOM 62 CD1 PHE A 5 8.480 1.944 -6.167 1.00 0.99 C ATOM 63 CD2 PHE A 5 9.034 -0.337 -6.479 1.00 1.38 C ATOM 64 CE1 PHE A 5 9.346 2.269 -7.171 1.00 1.03 C ATOM 65 CE2 PHE A 5 9.908 -0.043 -7.489 1.00 1.39 C ATOM 66 CZ PHE A 5 10.065 1.284 -7.838 1.00 0.28 C ATOM 0 H PHE A 5 6.236 0.588 -2.681 1.00 0.40 H new ATOM 0 HA PHE A 5 9.001 -0.257 -3.393 1.00 0.19 H new ATOM 0 HB2 PHE A 5 7.051 -0.761 -4.756 1.00 0.28 H new ATOM 0 HB3 PHE A 5 6.506 0.902 -4.668 1.00 0.28 H new ATOM 0 HD1 PHE A 5 7.924 2.715 -5.655 1.00 0.99 H new ATOM 0 HD2 PHE A 5 8.897 -1.369 -6.191 1.00 1.38 H new ATOM 0 HE1 PHE A 5 9.474 3.304 -7.451 1.00 1.03 H new ATOM 0 HE2 PHE A 5 10.457 -0.822 -7.997 1.00 1.39 H new ATOM 0 HZ PHE A 5 10.747 1.557 -8.630 1.00 0.28 H new ATOM 76 N ASP A 6 8.161 2.911 -3.332 1.00 0.25 N ATOM 77 CA ASP A 6 8.822 4.242 -3.223 1.00 0.33 C ATOM 78 C ASP A 6 9.746 4.150 -2.007 1.00 0.30 C ATOM 79 O ASP A 6 10.918 4.452 -2.023 1.00 0.35 O ATOM 80 CB ASP A 6 7.667 5.193 -3.084 1.00 0.36 C ATOM 81 CG ASP A 6 6.723 4.930 -4.243 1.00 0.57 C ATOM 82 OD1 ASP A 6 7.119 5.205 -5.361 1.00 0.80 O ATOM 83 OD2 ASP A 6 5.661 4.439 -3.903 1.00 1.55 O ATOM 0 H ASP A 6 7.143 2.933 -3.389 1.00 0.25 H new ATOM 0 HA ASP A 6 9.444 4.570 -4.056 1.00 0.33 H new ATOM 0 HB2 ASP A 6 7.158 5.042 -2.132 1.00 0.36 H new ATOM 0 HB3 ASP A 6 8.016 6.226 -3.099 1.00 0.36 H new ATOM 88 N LYS A 7 9.114 3.689 -0.972 1.00 0.23 N ATOM 89 CA LYS A 7 9.820 3.498 0.328 1.00 0.24 C ATOM 90 C LYS A 7 11.072 2.686 -0.059 1.00 0.32 C ATOM 91 O LYS A 7 12.178 3.156 0.106 1.00 0.55 O ATOM 92 CB LYS A 7 8.834 2.762 1.254 1.00 0.19 C ATOM 93 CG LYS A 7 9.465 2.540 2.648 1.00 0.27 C ATOM 94 CD LYS A 7 8.345 2.397 3.736 1.00 0.63 C ATOM 95 CE LYS A 7 7.739 0.989 3.910 1.00 1.84 C ATOM 96 NZ LYS A 7 6.719 0.708 2.851 1.00 3.74 N ATOM 0 H LYS A 7 8.127 3.432 -0.966 1.00 0.23 H new ATOM 0 HA LYS A 7 10.129 4.396 0.862 1.00 0.24 H new ATOM 0 HB2 LYS A 7 7.916 3.341 1.352 1.00 0.19 H new ATOM 0 HB3 LYS A 7 8.560 1.803 0.815 1.00 0.19 H new ATOM 0 HG2 LYS A 7 10.086 1.644 2.635 1.00 0.27 H new ATOM 0 HG3 LYS A 7 10.118 3.377 2.896 1.00 0.27 H new ATOM 0 HD2 LYS A 7 8.756 2.714 4.694 1.00 0.63 H new ATOM 0 HD3 LYS A 7 7.539 3.089 3.491 1.00 0.63 H new ATOM 0 HE2 LYS A 7 8.530 0.241 3.865 1.00 1.84 H new ATOM 0 HE3 LYS A 7 7.278 0.907 4.894 1.00 1.84 H new ATOM 0 HZ1 LYS A 7 5.771 0.689 3.278 1.00 3.74 H new ATOM 0 HZ2 LYS A 7 6.757 1.452 2.126 1.00 3.74 H new ATOM 0 HZ3 LYS A 7 6.919 -0.213 2.412 1.00 3.74 H new ATOM 110 N ALA A 8 10.891 1.498 -0.575 1.00 0.15 N ATOM 111 CA ALA A 8 12.069 0.669 -0.985 1.00 0.23 C ATOM 112 C ALA A 8 13.152 1.544 -1.738 1.00 0.29 C ATOM 113 O ALA A 8 14.320 1.536 -1.390 1.00 0.34 O ATOM 114 CB ALA A 8 11.487 -0.461 -1.844 1.00 0.18 C ATOM 0 H ALA A 8 9.981 1.065 -0.731 1.00 0.15 H new ATOM 0 HA ALA A 8 12.608 0.255 -0.133 1.00 0.23 H new ATOM 0 HB1 ALA A 8 12.293 -1.112 -2.183 1.00 0.18 H new ATOM 0 HB2 ALA A 8 10.777 -1.039 -1.252 1.00 0.18 H new ATOM 0 HB3 ALA A 8 10.977 -0.035 -2.708 1.00 0.18 H new ATOM 120 N ALA A 9 12.702 2.269 -2.738 1.00 0.29 N ATOM 121 CA ALA A 9 13.537 3.173 -3.582 1.00 0.47 C ATOM 122 C ALA A 9 14.431 4.095 -2.783 1.00 0.51 C ATOM 123 O ALA A 9 15.401 4.588 -3.317 1.00 0.73 O ATOM 124 CB ALA A 9 12.667 4.067 -4.436 1.00 0.51 C ATOM 0 H ALA A 9 11.720 2.264 -3.015 1.00 0.29 H new ATOM 0 HA ALA A 9 14.152 2.500 -4.180 1.00 0.47 H new ATOM 0 HB1 ALA A 9 13.298 4.717 -5.042 1.00 0.51 H new ATOM 0 HB2 ALA A 9 12.045 3.454 -5.088 1.00 0.51 H new ATOM 0 HB3 ALA A 9 12.030 4.676 -3.794 1.00 0.51 H new ATOM 130 N GLU A 10 14.085 4.293 -1.554 1.00 0.35 N ATOM 131 CA GLU A 10 14.860 5.177 -0.655 1.00 0.43 C ATOM 132 C GLU A 10 15.659 4.190 0.156 1.00 0.35 C ATOM 133 O GLU A 10 16.876 4.229 0.185 1.00 0.34 O ATOM 134 CB GLU A 10 13.821 5.982 0.161 1.00 0.57 C ATOM 135 CG GLU A 10 12.861 6.775 -0.796 1.00 1.43 C ATOM 136 CD GLU A 10 11.735 7.455 -0.004 1.00 1.51 C ATOM 137 OE1 GLU A 10 10.957 6.710 0.579 1.00 1.94 O ATOM 138 OE2 GLU A 10 11.718 8.677 -0.037 1.00 1.86 O ATOM 0 H GLU A 10 13.268 3.864 -1.118 1.00 0.35 H new ATOM 0 HA GLU A 10 15.525 5.909 -1.113 1.00 0.43 H new ATOM 0 HB2 GLU A 10 13.241 5.306 0.789 1.00 0.57 H new ATOM 0 HB3 GLU A 10 14.333 6.676 0.828 1.00 0.57 H new ATOM 0 HG2 GLU A 10 13.428 7.526 -1.346 1.00 1.43 H new ATOM 0 HG3 GLU A 10 12.433 6.095 -1.533 1.00 1.43 H new ATOM 145 N GLU A 11 14.953 3.297 0.769 1.00 0.33 N ATOM 146 CA GLU A 11 15.571 2.250 1.624 1.00 0.29 C ATOM 147 C GLU A 11 16.890 1.701 1.049 1.00 0.15 C ATOM 148 O GLU A 11 17.958 1.784 1.617 1.00 0.11 O ATOM 149 CB GLU A 11 14.508 1.194 1.756 1.00 0.29 C ATOM 150 CG GLU A 11 13.338 1.719 2.588 1.00 0.63 C ATOM 151 CD GLU A 11 13.041 0.855 3.801 1.00 0.71 C ATOM 152 OE1 GLU A 11 13.891 0.743 4.661 1.00 0.68 O ATOM 153 OE2 GLU A 11 11.950 0.303 3.840 1.00 1.44 O ATOM 0 H GLU A 11 13.936 3.244 0.713 1.00 0.33 H new ATOM 0 HA GLU A 11 15.871 2.649 2.593 1.00 0.29 H new ATOM 0 HB2 GLU A 11 14.156 0.897 0.768 1.00 0.29 H new ATOM 0 HB3 GLU A 11 14.927 0.304 2.226 1.00 0.29 H new ATOM 0 HG2 GLU A 11 13.559 2.734 2.917 1.00 0.63 H new ATOM 0 HG3 GLU A 11 12.448 1.774 1.961 1.00 0.63 H new ATOM 160 N VAL A 12 16.787 1.138 -0.117 1.00 0.12 N ATOM 161 CA VAL A 12 17.913 0.539 -0.866 1.00 0.04 C ATOM 162 C VAL A 12 19.003 1.536 -1.241 1.00 0.21 C ATOM 163 O VAL A 12 20.125 1.155 -1.497 1.00 0.58 O ATOM 164 CB VAL A 12 17.244 -0.112 -2.064 1.00 0.18 C ATOM 165 CG1 VAL A 12 17.231 0.752 -3.312 1.00 0.26 C ATOM 166 CG2 VAL A 12 17.891 -1.419 -2.289 1.00 0.32 C ATOM 0 H VAL A 12 15.898 1.067 -0.612 1.00 0.12 H new ATOM 0 HA VAL A 12 18.468 -0.180 -0.263 1.00 0.04 H new ATOM 0 HB VAL A 12 16.186 -0.248 -1.838 1.00 0.18 H new ATOM 0 HG11 VAL A 12 16.736 0.215 -4.121 1.00 0.26 H new ATOM 0 HG12 VAL A 12 16.693 1.678 -3.108 1.00 0.26 H new ATOM 0 HG13 VAL A 12 18.255 0.985 -3.604 1.00 0.26 H new ATOM 0 HG21 VAL A 12 17.430 -1.911 -3.146 1.00 0.32 H new ATOM 0 HG22 VAL A 12 18.953 -1.270 -2.484 1.00 0.32 H new ATOM 0 HG23 VAL A 12 17.769 -2.043 -1.403 1.00 0.32 H new ATOM 176 N LYS A 13 18.649 2.792 -1.270 1.00 0.17 N ATOM 177 CA LYS A 13 19.626 3.859 -1.610 1.00 0.17 C ATOM 178 C LYS A 13 20.396 4.154 -0.297 1.00 0.16 C ATOM 179 O LYS A 13 21.344 4.916 -0.285 1.00 0.14 O ATOM 180 CB LYS A 13 18.866 5.097 -2.053 1.00 0.17 C ATOM 181 CG LYS A 13 18.291 4.947 -3.461 1.00 0.50 C ATOM 182 CD LYS A 13 17.517 6.266 -3.867 1.00 1.22 C ATOM 183 CE LYS A 13 18.407 7.520 -4.008 1.00 0.73 C ATOM 184 NZ LYS A 13 19.376 7.309 -5.126 1.00 0.79 N ATOM 0 H LYS A 13 17.707 3.127 -1.068 1.00 0.17 H new ATOM 0 HA LYS A 13 20.303 3.565 -2.412 1.00 0.17 H new ATOM 0 HB2 LYS A 13 18.056 5.295 -1.351 1.00 0.17 H new ATOM 0 HB3 LYS A 13 19.531 5.960 -2.024 1.00 0.17 H new ATOM 0 HG2 LYS A 13 19.093 4.752 -4.172 1.00 0.50 H new ATOM 0 HG3 LYS A 13 17.616 4.092 -3.499 1.00 0.50 H new ATOM 0 HD2 LYS A 13 17.004 6.093 -4.813 1.00 1.22 H new ATOM 0 HD3 LYS A 13 16.749 6.465 -3.120 1.00 1.22 H new ATOM 0 HE2 LYS A 13 17.791 8.398 -4.205 1.00 0.73 H new ATOM 0 HE3 LYS A 13 18.942 7.708 -3.077 1.00 0.73 H new ATOM 0 HZ1 LYS A 13 19.886 8.196 -5.316 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 20.056 6.569 -4.861 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 18.861 7.016 -5.981 1.00 0.79 H new ATOM 198 N HIS A 14 19.935 3.526 0.758 1.00 0.17 N ATOM 199 CA HIS A 14 20.556 3.690 2.093 1.00 0.16 C ATOM 200 C HIS A 14 21.259 2.379 2.531 1.00 0.17 C ATOM 201 O HIS A 14 21.554 2.236 3.703 1.00 0.35 O ATOM 202 CB HIS A 14 19.435 4.095 3.095 1.00 0.12 C ATOM 203 CG HIS A 14 18.837 5.470 2.795 1.00 0.23 C ATOM 204 ND1 HIS A 14 17.771 5.680 2.104 1.00 0.40 N ATOM 205 CD2 HIS A 14 19.259 6.734 3.163 1.00 0.22 C ATOM 206 CE1 HIS A 14 17.537 6.956 2.038 1.00 0.46 C ATOM 207 NE2 HIS A 14 18.440 7.648 2.685 1.00 0.36 N ATOM 0 H HIS A 14 19.135 2.894 0.740 1.00 0.17 H new ATOM 0 HA HIS A 14 21.321 4.466 2.065 1.00 0.16 H new ATOM 0 HB2 HIS A 14 18.643 3.346 3.068 1.00 0.12 H new ATOM 0 HB3 HIS A 14 19.841 4.094 4.107 1.00 0.12 H new ATOM 0 HD1 HIS A 14 17.197 4.955 1.674 1.00 0.40 H new ATOM 0 HD2 HIS A 14 20.136 6.942 3.758 1.00 0.22 H new ATOM 0 HE1 HIS A 14 16.700 7.392 1.513 1.00 0.46 H new ATOM 215 N LEU A 15 21.507 1.448 1.629 1.00 0.24 N ATOM 216 CA LEU A 15 22.200 0.205 2.051 1.00 0.22 C ATOM 217 C LEU A 15 23.588 0.500 2.633 1.00 0.47 C ATOM 218 O LEU A 15 24.139 1.567 2.445 1.00 1.23 O ATOM 219 CB LEU A 15 22.310 -0.652 0.827 1.00 0.35 C ATOM 220 CG LEU A 15 20.939 -1.139 0.427 1.00 0.41 C ATOM 221 CD1 LEU A 15 21.091 -1.796 -0.894 1.00 0.57 C ATOM 222 CD2 LEU A 15 20.414 -2.183 1.391 1.00 0.32 C ATOM 0 H LEU A 15 21.260 1.503 0.641 1.00 0.24 H new ATOM 0 HA LEU A 15 21.640 -0.296 2.841 1.00 0.22 H new ATOM 0 HB2 LEU A 15 22.758 -0.084 0.012 1.00 0.35 H new ATOM 0 HB3 LEU A 15 22.966 -1.500 1.022 1.00 0.35 H new ATOM 0 HG LEU A 15 20.247 -0.297 0.416 1.00 0.41 H new ATOM 0 HD11 LEU A 15 20.123 -2.167 -1.229 1.00 0.57 H new ATOM 0 HD12 LEU A 15 21.473 -1.075 -1.617 1.00 0.57 H new ATOM 0 HD13 LEU A 15 21.789 -2.629 -0.808 1.00 0.57 H new ATOM 0 HD21 LEU A 15 19.425 -2.510 1.070 1.00 0.32 H new ATOM 0 HD22 LEU A 15 21.091 -3.037 1.406 1.00 0.32 H new ATOM 0 HD23 LEU A 15 20.348 -1.754 2.391 1.00 0.32 H new ATOM 234 N LYS A 16 24.140 -0.455 3.327 1.00 1.28 N ATOM 235 CA LYS A 16 25.495 -0.197 3.908 1.00 1.40 C ATOM 236 C LYS A 16 26.582 -0.621 2.931 1.00 1.25 C ATOM 237 O LYS A 16 27.730 -0.232 3.034 1.00 1.40 O ATOM 238 CB LYS A 16 25.584 -0.986 5.225 1.00 1.73 C ATOM 239 CG LYS A 16 24.446 -0.540 6.168 1.00 1.90 C ATOM 240 CD LYS A 16 24.614 0.974 6.531 1.00 0.75 C ATOM 241 CE LYS A 16 23.447 1.479 7.388 1.00 1.85 C ATOM 242 NZ LYS A 16 23.436 0.744 8.691 1.00 1.98 N ATOM 0 H LYS A 16 23.734 -1.372 3.515 1.00 1.28 H new ATOM 0 HA LYS A 16 25.642 0.866 4.100 1.00 1.40 H new ATOM 0 HB2 LYS A 16 25.509 -2.055 5.027 1.00 1.73 H new ATOM 0 HB3 LYS A 16 26.551 -0.817 5.699 1.00 1.73 H new ATOM 0 HG2 LYS A 16 23.481 -0.703 5.689 1.00 1.90 H new ATOM 0 HG3 LYS A 16 24.457 -1.144 7.076 1.00 1.90 H new ATOM 0 HD2 LYS A 16 25.551 1.119 7.069 1.00 0.75 H new ATOM 0 HD3 LYS A 16 24.677 1.564 5.616 1.00 0.75 H new ATOM 0 HE2 LYS A 16 23.546 2.550 7.563 1.00 1.85 H new ATOM 0 HE3 LYS A 16 22.503 1.327 6.864 1.00 1.85 H new ATOM 0 HZ1 LYS A 16 22.907 1.296 9.396 1.00 1.98 H new ATOM 0 HZ2 LYS A 16 22.981 -0.182 8.563 1.00 1.98 H new ATOM 0 HZ3 LYS A 16 24.413 0.607 9.021 1.00 1.98 H new ATOM 256 N THR A 17 26.186 -1.420 1.986 1.00 1.03 N ATOM 257 CA THR A 17 27.183 -1.900 0.988 1.00 0.89 C ATOM 258 C THR A 17 26.833 -2.398 -0.432 1.00 0.91 C ATOM 259 O THR A 17 26.227 -3.440 -0.512 1.00 0.93 O ATOM 260 CB THR A 17 27.977 -2.997 1.741 1.00 0.93 C ATOM 261 OG1 THR A 17 29.097 -2.409 2.381 1.00 1.07 O ATOM 262 CG2 THR A 17 28.567 -4.036 0.855 1.00 0.96 C ATOM 0 H THR A 17 25.232 -1.759 1.859 1.00 1.03 H new ATOM 0 HA THR A 17 27.681 -0.980 0.681 1.00 0.89 H new ATOM 0 HB THR A 17 27.253 -3.452 2.417 1.00 0.93 H new ATOM 0 HG1 THR A 17 28.886 -1.483 2.623 1.00 1.07 H new ATOM 0 HG21 THR A 17 29.106 -4.766 1.459 1.00 0.96 H new ATOM 0 HG22 THR A 17 27.772 -4.538 0.303 1.00 0.96 H new ATOM 0 HG23 THR A 17 29.256 -3.567 0.153 1.00 0.96 H new ATOM 270 N LYS A 18 27.151 -1.694 -1.498 1.00 0.95 N ATOM 271 CA LYS A 18 26.874 -2.164 -2.915 1.00 1.06 C ATOM 272 C LYS A 18 26.598 -3.691 -2.964 1.00 1.02 C ATOM 273 O LYS A 18 27.545 -4.457 -3.028 1.00 1.06 O ATOM 274 CB LYS A 18 28.131 -1.818 -3.781 1.00 1.26 C ATOM 275 CG LYS A 18 28.269 -2.660 -5.070 1.00 2.03 C ATOM 276 CD LYS A 18 29.594 -3.470 -5.023 1.00 2.44 C ATOM 277 CE LYS A 18 29.673 -4.296 -6.284 1.00 3.39 C ATOM 278 NZ LYS A 18 28.546 -5.259 -6.247 1.00 3.99 N ATOM 0 H LYS A 18 27.606 -0.782 -1.450 1.00 0.95 H new ATOM 0 HA LYS A 18 25.984 -1.665 -3.299 1.00 1.06 H new ATOM 0 HB2 LYS A 18 28.091 -0.763 -4.053 1.00 1.26 H new ATOM 0 HB3 LYS A 18 29.025 -1.957 -3.173 1.00 1.26 H new ATOM 0 HG2 LYS A 18 27.420 -3.337 -5.167 1.00 2.03 H new ATOM 0 HG3 LYS A 18 28.259 -2.009 -5.944 1.00 2.03 H new ATOM 0 HD2 LYS A 18 30.450 -2.799 -4.951 1.00 2.44 H new ATOM 0 HD3 LYS A 18 29.618 -4.113 -4.143 1.00 2.44 H new ATOM 0 HE2 LYS A 18 29.606 -3.659 -7.166 1.00 3.39 H new ATOM 0 HE3 LYS A 18 30.626 -4.821 -6.341 1.00 3.39 H new ATOM 0 HZ1 LYS A 18 28.857 -6.172 -6.635 1.00 3.99 H new ATOM 0 HZ2 LYS A 18 28.233 -5.389 -5.264 1.00 3.99 H new ATOM 0 HZ3 LYS A 18 27.757 -4.892 -6.816 1.00 3.99 H new ATOM 292 N PRO A 19 25.357 -4.096 -2.914 1.00 0.94 N ATOM 293 CA PRO A 19 25.029 -5.543 -2.955 1.00 0.93 C ATOM 294 C PRO A 19 25.638 -6.306 -4.140 1.00 1.02 C ATOM 295 O PRO A 19 26.328 -5.734 -4.966 1.00 1.08 O ATOM 296 CB PRO A 19 23.521 -5.526 -2.932 1.00 0.86 C ATOM 297 CG PRO A 19 23.208 -4.208 -2.152 1.00 0.78 C ATOM 298 CD PRO A 19 24.160 -3.226 -2.782 1.00 0.87 C ATOM 0 HA PRO A 19 25.464 -6.100 -2.125 1.00 0.93 H new ATOM 0 HB2 PRO A 19 23.100 -5.512 -3.937 1.00 0.86 H new ATOM 0 HB3 PRO A 19 23.113 -6.402 -2.428 1.00 0.86 H new ATOM 0 HG2 PRO A 19 22.169 -3.901 -2.273 1.00 0.78 H new ATOM 0 HG3 PRO A 19 23.386 -4.317 -1.082 1.00 0.78 H new ATOM 0 HD2 PRO A 19 23.804 -2.855 -3.743 1.00 0.87 H new ATOM 0 HD3 PRO A 19 24.342 -2.356 -2.152 1.00 0.87 H new ATOM 306 N ALA A 20 25.393 -7.589 -4.228 1.00 1.06 N ATOM 307 CA ALA A 20 25.980 -8.326 -5.391 1.00 1.13 C ATOM 308 C ALA A 20 25.417 -7.597 -6.631 1.00 0.98 C ATOM 309 O ALA A 20 24.230 -7.325 -6.723 1.00 0.78 O ATOM 310 CB ALA A 20 25.520 -9.789 -5.368 1.00 1.20 C ATOM 0 H ALA A 20 24.836 -8.141 -3.576 1.00 1.06 H new ATOM 0 HA ALA A 20 27.070 -8.337 -5.380 1.00 1.13 H new ATOM 0 HB1 ALA A 20 25.951 -10.319 -6.217 1.00 1.20 H new ATOM 0 HB2 ALA A 20 25.849 -10.259 -4.441 1.00 1.20 H new ATOM 0 HB3 ALA A 20 24.432 -9.829 -5.429 1.00 1.20 H new ATOM 316 N ASP A 21 26.260 -7.275 -7.563 1.00 1.08 N ATOM 317 CA ASP A 21 25.757 -6.569 -8.769 1.00 0.95 C ATOM 318 C ASP A 21 24.453 -7.157 -9.288 1.00 0.83 C ATOM 319 O ASP A 21 23.567 -6.374 -9.528 1.00 0.70 O ATOM 320 CB ASP A 21 26.939 -6.620 -9.721 1.00 1.12 C ATOM 321 CG ASP A 21 28.007 -5.854 -8.959 1.00 1.18 C ATOM 322 OD1 ASP A 21 27.825 -4.652 -8.846 1.00 0.88 O ATOM 323 OD2 ASP A 21 28.936 -6.480 -8.477 1.00 1.92 O ATOM 0 H ASP A 21 27.262 -7.466 -7.546 1.00 1.08 H new ATOM 0 HA ASP A 21 25.457 -5.537 -8.589 1.00 0.95 H new ATOM 0 HB2 ASP A 21 27.247 -7.644 -9.932 1.00 1.12 H new ATOM 0 HB3 ASP A 21 26.709 -6.153 -10.679 1.00 1.12 H new ATOM 328 N GLU A 22 24.290 -8.445 -9.449 1.00 0.99 N ATOM 329 CA GLU A 22 22.974 -8.925 -9.955 1.00 0.99 C ATOM 330 C GLU A 22 21.794 -8.421 -9.054 1.00 0.80 C ATOM 331 O GLU A 22 20.725 -8.094 -9.544 1.00 0.79 O ATOM 332 CB GLU A 22 23.009 -10.476 -10.005 1.00 1.38 C ATOM 333 CG GLU A 22 24.134 -11.012 -10.975 1.00 1.54 C ATOM 334 CD GLU A 22 23.987 -12.522 -11.338 1.00 2.34 C ATOM 335 OE1 GLU A 22 22.969 -13.117 -11.007 1.00 3.34 O ATOM 336 OE2 GLU A 22 24.925 -13.014 -11.949 1.00 2.16 O ATOM 0 H GLU A 22 24.988 -9.164 -9.259 1.00 0.99 H new ATOM 0 HA GLU A 22 22.800 -8.523 -10.953 1.00 0.99 H new ATOM 0 HB2 GLU A 22 23.179 -10.867 -9.002 1.00 1.38 H new ATOM 0 HB3 GLU A 22 22.039 -10.850 -10.333 1.00 1.38 H new ATOM 0 HG2 GLU A 22 24.119 -10.424 -11.893 1.00 1.54 H new ATOM 0 HG3 GLU A 22 25.107 -10.853 -10.510 1.00 1.54 H new ATOM 343 N GLU A 23 21.999 -8.342 -7.757 1.00 0.72 N ATOM 344 CA GLU A 23 20.883 -7.865 -6.865 1.00 0.58 C ATOM 345 C GLU A 23 20.651 -6.388 -7.152 1.00 0.44 C ATOM 346 O GLU A 23 19.537 -5.932 -7.329 1.00 0.40 O ATOM 347 CB GLU A 23 21.214 -7.975 -5.322 1.00 0.55 C ATOM 348 CG GLU A 23 21.568 -9.408 -4.933 1.00 0.55 C ATOM 349 CD GLU A 23 21.691 -9.476 -3.411 1.00 0.50 C ATOM 350 OE1 GLU A 23 22.766 -9.256 -2.857 1.00 1.16 O ATOM 351 OE2 GLU A 23 20.608 -9.736 -2.919 1.00 1.51 O ATOM 0 H GLU A 23 22.870 -8.581 -7.283 1.00 0.72 H new ATOM 0 HA GLU A 23 20.020 -8.497 -7.076 1.00 0.58 H new ATOM 0 HB2 GLU A 23 22.045 -7.313 -5.078 1.00 0.55 H new ATOM 0 HB3 GLU A 23 20.357 -7.638 -4.739 1.00 0.55 H new ATOM 0 HG2 GLU A 23 20.799 -10.097 -5.283 1.00 0.55 H new ATOM 0 HG3 GLU A 23 22.504 -9.709 -5.403 1.00 0.55 H new ATOM 358 N MET A 24 21.772 -5.720 -7.193 1.00 0.41 N ATOM 359 CA MET A 24 21.811 -4.251 -7.451 1.00 0.32 C ATOM 360 C MET A 24 21.051 -4.014 -8.746 1.00 0.41 C ATOM 361 O MET A 24 20.194 -3.170 -8.854 1.00 0.61 O ATOM 362 CB MET A 24 23.284 -3.898 -7.523 1.00 0.48 C ATOM 363 CG MET A 24 23.908 -4.075 -6.164 1.00 0.73 C ATOM 364 SD MET A 24 25.370 -3.048 -5.911 1.00 0.93 S ATOM 365 CE MET A 24 24.496 -1.473 -6.018 1.00 0.92 C ATOM 0 H MET A 24 22.689 -6.144 -7.054 1.00 0.41 H new ATOM 0 HA MET A 24 21.344 -3.626 -6.689 1.00 0.32 H new ATOM 0 HB2 MET A 24 23.786 -4.534 -8.252 1.00 0.48 H new ATOM 0 HB3 MET A 24 23.407 -2.869 -7.860 1.00 0.48 H new ATOM 0 HG2 MET A 24 23.169 -3.838 -5.399 1.00 0.73 H new ATOM 0 HG3 MET A 24 24.180 -5.122 -6.030 1.00 0.73 H new ATOM 0 HE1 MET A 24 24.894 -0.785 -5.272 1.00 0.92 H new ATOM 0 HE2 MET A 24 24.632 -1.048 -7.013 1.00 0.92 H new ATOM 0 HE3 MET A 24 23.434 -1.633 -5.834 1.00 0.92 H new ATOM 375 N LEU A 25 21.433 -4.802 -9.700 1.00 0.42 N ATOM 376 CA LEU A 25 20.881 -4.836 -11.057 1.00 0.55 C ATOM 377 C LEU A 25 19.377 -5.049 -11.024 1.00 0.49 C ATOM 378 O LEU A 25 18.649 -4.235 -11.550 1.00 0.52 O ATOM 379 CB LEU A 25 21.553 -5.974 -11.785 1.00 0.59 C ATOM 380 CG LEU A 25 22.852 -5.471 -12.279 1.00 0.75 C ATOM 381 CD1 LEU A 25 23.682 -6.641 -12.703 1.00 0.62 C ATOM 382 CD2 LEU A 25 22.583 -4.531 -13.481 1.00 1.40 C ATOM 0 H LEU A 25 22.179 -5.485 -9.566 1.00 0.42 H new ATOM 0 HA LEU A 25 21.064 -3.888 -11.563 1.00 0.55 H new ATOM 0 HB2 LEU A 25 21.698 -6.824 -11.119 1.00 0.59 H new ATOM 0 HB3 LEU A 25 20.934 -6.320 -12.613 1.00 0.59 H new ATOM 0 HG LEU A 25 23.384 -4.919 -11.504 1.00 0.75 H new ATOM 0 HD11 LEU A 25 24.646 -6.289 -13.071 1.00 0.62 H new ATOM 0 HD12 LEU A 25 23.839 -7.304 -11.852 1.00 0.62 H new ATOM 0 HD13 LEU A 25 23.167 -7.184 -13.496 1.00 0.62 H new ATOM 0 HD21 LEU A 25 23.530 -4.148 -13.862 1.00 1.40 H new ATOM 0 HD22 LEU A 25 22.072 -5.085 -14.269 1.00 1.40 H new ATOM 0 HD23 LEU A 25 21.958 -3.698 -13.159 1.00 1.40 H new ATOM 394 N PHE A 26 18.972 -6.148 -10.427 1.00 0.41 N ATOM 395 CA PHE A 26 17.522 -6.495 -10.308 1.00 0.36 C ATOM 396 C PHE A 26 16.821 -5.255 -9.799 1.00 0.35 C ATOM 397 O PHE A 26 15.896 -4.735 -10.393 1.00 0.36 O ATOM 398 CB PHE A 26 17.354 -7.652 -9.311 1.00 0.32 C ATOM 399 CG PHE A 26 15.848 -7.917 -9.161 1.00 0.31 C ATOM 400 CD1 PHE A 26 15.014 -7.056 -8.440 1.00 1.26 C ATOM 401 CD2 PHE A 26 15.315 -9.030 -9.779 1.00 1.00 C ATOM 402 CE1 PHE A 26 13.665 -7.337 -8.362 1.00 1.24 C ATOM 403 CE2 PHE A 26 13.967 -9.300 -9.697 1.00 1.02 C ATOM 404 CZ PHE A 26 13.152 -8.452 -8.991 1.00 0.30 C ATOM 0 H PHE A 26 19.603 -6.832 -10.009 1.00 0.41 H new ATOM 0 HA PHE A 26 17.103 -6.810 -11.264 1.00 0.36 H new ATOM 0 HB2 PHE A 26 17.867 -8.545 -9.670 1.00 0.32 H new ATOM 0 HB3 PHE A 26 17.796 -7.396 -8.348 1.00 0.32 H new ATOM 0 HD1 PHE A 26 15.420 -6.183 -7.951 1.00 1.26 H new ATOM 0 HD2 PHE A 26 15.961 -9.696 -10.332 1.00 1.00 H new ATOM 0 HE1 PHE A 26 13.010 -6.682 -7.807 1.00 1.24 H new ATOM 0 HE2 PHE A 26 13.555 -10.172 -10.184 1.00 1.02 H new ATOM 0 HZ PHE A 26 12.094 -8.660 -8.927 1.00 0.30 H new ATOM 414 N ILE A 27 17.324 -4.827 -8.675 1.00 0.30 N ATOM 415 CA ILE A 27 16.781 -3.618 -8.008 1.00 0.29 C ATOM 416 C ILE A 27 16.749 -2.489 -9.072 1.00 0.23 C ATOM 417 O ILE A 27 15.676 -2.021 -9.373 1.00 0.22 O ATOM 418 CB ILE A 27 17.726 -3.462 -6.823 1.00 0.25 C ATOM 419 CG1 ILE A 27 17.457 -4.709 -5.862 1.00 0.36 C ATOM 420 CG2 ILE A 27 17.387 -2.158 -6.130 1.00 0.25 C ATOM 421 CD1 ILE A 27 16.396 -4.390 -4.852 1.00 0.37 C ATOM 0 H ILE A 27 18.100 -5.273 -8.186 1.00 0.30 H new ATOM 0 HA ILE A 27 15.759 -3.634 -7.630 1.00 0.29 H new ATOM 0 HB ILE A 27 18.776 -3.439 -7.115 1.00 0.25 H new ATOM 0 HG12 ILE A 27 17.152 -5.571 -6.455 1.00 0.36 H new ATOM 0 HG13 ILE A 27 18.380 -4.984 -5.351 1.00 0.36 H new ATOM 0 HG21 ILE A 27 18.048 -2.018 -5.275 1.00 0.25 H new ATOM 0 HG22 ILE A 27 17.516 -1.331 -6.828 1.00 0.25 H new ATOM 0 HG23 ILE A 27 16.353 -2.186 -5.788 1.00 0.25 H new ATOM 0 HD11 ILE A 27 16.232 -5.256 -4.210 1.00 0.37 H new ATOM 0 HD12 ILE A 27 16.715 -3.543 -4.244 1.00 0.37 H new ATOM 0 HD13 ILE A 27 15.468 -4.139 -5.366 1.00 0.37 H new ATOM 433 N TYR A 28 17.853 -2.052 -9.619 1.00 0.24 N ATOM 434 CA TYR A 28 17.817 -0.974 -10.679 1.00 0.24 C ATOM 435 C TYR A 28 16.783 -1.286 -11.786 1.00 0.21 C ATOM 436 O TYR A 28 15.823 -0.570 -11.943 1.00 0.14 O ATOM 437 CB TYR A 28 19.200 -0.851 -11.320 1.00 0.32 C ATOM 438 CG TYR A 28 19.154 0.153 -12.494 1.00 0.21 C ATOM 439 CD1 TYR A 28 18.774 -0.195 -13.783 1.00 0.30 C ATOM 440 CD2 TYR A 28 19.494 1.454 -12.256 1.00 0.65 C ATOM 441 CE1 TYR A 28 18.745 0.753 -14.797 1.00 0.35 C ATOM 442 CE2 TYR A 28 19.465 2.388 -13.261 1.00 0.61 C ATOM 443 CZ TYR A 28 19.095 2.059 -14.538 1.00 0.12 C ATOM 444 OH TYR A 28 19.089 3.029 -15.520 1.00 0.10 O ATOM 0 H TYR A 28 18.786 -2.390 -9.383 1.00 0.24 H new ATOM 0 HA TYR A 28 17.527 -0.042 -10.194 1.00 0.24 H new ATOM 0 HB2 TYR A 28 19.926 -0.520 -10.577 1.00 0.32 H new ATOM 0 HB3 TYR A 28 19.532 -1.826 -11.678 1.00 0.32 H new ATOM 0 HD1 TYR A 28 18.497 -1.216 -14.000 1.00 0.30 H new ATOM 0 HD2 TYR A 28 19.790 1.753 -11.261 1.00 0.65 H new ATOM 0 HE1 TYR A 28 18.446 0.464 -15.794 1.00 0.35 H new ATOM 0 HE2 TYR A 28 19.741 3.408 -13.039 1.00 0.61 H new ATOM 0 HH TYR A 28 18.395 2.822 -16.180 1.00 0.10 H new ATOM 454 N SER A 29 16.988 -2.338 -12.531 1.00 0.28 N ATOM 455 CA SER A 29 16.025 -2.714 -13.637 1.00 0.31 C ATOM 456 C SER A 29 14.571 -2.568 -13.201 1.00 0.30 C ATOM 457 O SER A 29 13.813 -1.835 -13.806 1.00 0.33 O ATOM 458 CB SER A 29 16.297 -4.172 -14.089 1.00 0.33 C ATOM 459 OG SER A 29 16.332 -4.957 -12.893 1.00 0.19 O ATOM 0 H SER A 29 17.785 -2.966 -12.429 1.00 0.28 H new ATOM 0 HA SER A 29 16.188 -2.029 -14.469 1.00 0.31 H new ATOM 0 HB2 SER A 29 15.516 -4.523 -14.763 1.00 0.33 H new ATOM 0 HB3 SER A 29 17.241 -4.243 -14.630 1.00 0.33 H new ATOM 0 HG SER A 29 17.189 -4.821 -12.438 1.00 0.19 H new ATOM 465 N HIS A 30 14.226 -3.250 -12.157 1.00 0.29 N ATOM 466 CA HIS A 30 12.848 -3.193 -11.634 1.00 0.29 C ATOM 467 C HIS A 30 12.495 -1.758 -11.208 1.00 0.28 C ATOM 468 O HIS A 30 11.523 -1.192 -11.657 1.00 0.39 O ATOM 469 CB HIS A 30 12.854 -4.189 -10.511 1.00 0.27 C ATOM 470 CG HIS A 30 12.938 -5.576 -11.131 1.00 0.37 C ATOM 471 ND1 HIS A 30 13.961 -6.094 -11.731 1.00 1.70 N ATOM 472 CD2 HIS A 30 11.959 -6.543 -11.192 1.00 0.75 C ATOM 473 CE1 HIS A 30 13.648 -7.292 -12.134 1.00 1.47 C ATOM 474 NE2 HIS A 30 12.416 -7.608 -11.818 1.00 0.13 N ATOM 0 H HIS A 30 14.856 -3.858 -11.634 1.00 0.29 H new ATOM 0 HA HIS A 30 12.078 -3.444 -12.363 1.00 0.29 H new ATOM 0 HB2 HIS A 30 13.701 -4.014 -9.847 1.00 0.27 H new ATOM 0 HB3 HIS A 30 11.951 -4.093 -9.908 1.00 0.27 H new ATOM 0 HD1 HIS A 30 14.864 -5.639 -11.866 1.00 1.70 H new ATOM 0 HD2 HIS A 30 10.963 -6.443 -10.786 1.00 0.75 H new ATOM 0 HE1 HIS A 30 14.323 -7.947 -12.665 1.00 1.47 H new ATOM 482 N TYR A 31 13.299 -1.217 -10.350 1.00 0.15 N ATOM 483 CA TYR A 31 13.132 0.158 -9.820 1.00 0.08 C ATOM 484 C TYR A 31 12.808 1.175 -10.937 1.00 0.12 C ATOM 485 O TYR A 31 11.839 1.901 -10.898 1.00 0.20 O ATOM 486 CB TYR A 31 14.411 0.491 -9.171 1.00 0.09 C ATOM 487 CG TYR A 31 14.401 1.915 -8.732 1.00 0.12 C ATOM 488 CD1 TYR A 31 13.501 2.424 -7.828 1.00 1.23 C ATOM 489 CD2 TYR A 31 15.332 2.706 -9.315 1.00 1.39 C ATOM 490 CE1 TYR A 31 13.564 3.771 -7.533 1.00 1.16 C ATOM 491 CE2 TYR A 31 15.390 4.028 -9.017 1.00 1.47 C ATOM 492 CZ TYR A 31 14.510 4.581 -8.125 1.00 0.29 C ATOM 493 OH TYR A 31 14.590 5.925 -7.833 1.00 0.40 O ATOM 0 H TYR A 31 14.113 -1.701 -9.972 1.00 0.15 H new ATOM 0 HA TYR A 31 12.294 0.204 -9.125 1.00 0.08 H new ATOM 0 HB2 TYR A 31 14.575 -0.162 -8.314 1.00 0.09 H new ATOM 0 HB3 TYR A 31 15.235 0.321 -9.863 1.00 0.09 H new ATOM 0 HD1 TYR A 31 12.764 1.788 -7.361 1.00 1.23 H new ATOM 0 HD2 TYR A 31 16.032 2.283 -10.020 1.00 1.39 H new ATOM 0 HE1 TYR A 31 12.863 4.196 -6.829 1.00 1.16 H new ATOM 0 HE2 TYR A 31 16.137 4.650 -9.487 1.00 1.47 H new ATOM 0 HH TYR A 31 15.320 6.329 -8.348 1.00 0.40 H new ATOM 503 N LYS A 32 13.689 1.148 -11.900 1.00 0.11 N ATOM 504 CA LYS A 32 13.630 2.026 -13.106 1.00 0.21 C ATOM 505 C LYS A 32 12.331 1.709 -13.849 1.00 0.21 C ATOM 506 O LYS A 32 11.574 2.620 -14.100 1.00 0.21 O ATOM 507 CB LYS A 32 14.890 1.716 -13.893 1.00 0.25 C ATOM 508 CG LYS A 32 16.139 2.084 -13.011 1.00 0.21 C ATOM 509 CD LYS A 32 16.455 3.608 -12.864 1.00 0.31 C ATOM 510 CE LYS A 32 16.584 4.222 -14.235 1.00 0.30 C ATOM 511 NZ LYS A 32 17.506 5.396 -14.200 1.00 0.35 N ATOM 0 H LYS A 32 14.491 0.518 -11.898 1.00 0.11 H new ATOM 0 HA LYS A 32 13.608 3.095 -12.896 1.00 0.21 H new ATOM 0 HB2 LYS A 32 14.916 0.660 -14.164 1.00 0.25 H new ATOM 0 HB3 LYS A 32 14.904 2.284 -14.823 1.00 0.25 H new ATOM 0 HG2 LYS A 32 15.990 1.667 -12.015 1.00 0.21 H new ATOM 0 HG3 LYS A 32 17.015 1.592 -13.434 1.00 0.21 H new ATOM 0 HD2 LYS A 32 15.662 4.104 -12.304 1.00 0.31 H new ATOM 0 HD3 LYS A 32 17.378 3.748 -12.302 1.00 0.31 H new ATOM 0 HE2 LYS A 32 16.959 3.479 -14.938 1.00 0.30 H new ATOM 0 HE3 LYS A 32 15.603 4.534 -14.594 1.00 0.30 H new ATOM 0 HZ1 LYS A 32 17.583 5.806 -15.153 1.00 0.35 H new ATOM 0 HZ2 LYS A 32 17.132 6.112 -13.544 1.00 0.35 H new ATOM 0 HZ3 LYS A 32 18.446 5.089 -13.878 1.00 0.35 H new ATOM 525 N GLN A 33 12.086 0.480 -14.222 1.00 0.30 N ATOM 526 CA GLN A 33 10.777 0.210 -14.921 1.00 0.31 C ATOM 527 C GLN A 33 9.581 0.711 -14.086 1.00 0.29 C ATOM 528 O GLN A 33 8.703 1.374 -14.599 1.00 0.31 O ATOM 529 CB GLN A 33 10.652 -1.279 -15.179 1.00 0.38 C ATOM 530 CG GLN A 33 10.367 -1.545 -16.677 1.00 0.64 C ATOM 531 CD GLN A 33 8.960 -1.168 -17.182 1.00 0.93 C ATOM 532 OE1 GLN A 33 8.605 -1.641 -18.222 1.00 1.73 O ATOM 533 NE2 GLN A 33 8.090 -0.400 -16.619 1.00 1.07 N ATOM 0 H GLN A 33 12.700 -0.323 -14.085 1.00 0.30 H new ATOM 0 HA GLN A 33 10.766 0.752 -15.867 1.00 0.31 H new ATOM 0 HB2 GLN A 33 11.571 -1.784 -14.882 1.00 0.38 H new ATOM 0 HB3 GLN A 33 9.849 -1.694 -14.570 1.00 0.38 H new ATOM 0 HG2 GLN A 33 11.101 -0.996 -17.268 1.00 0.64 H new ATOM 0 HG3 GLN A 33 10.528 -2.605 -16.873 1.00 0.64 H new ATOM 0 HE21 GLN A 33 8.306 0.048 -15.728 1.00 1.07 H new ATOM 0 HE22 GLN A 33 7.186 -0.240 -17.065 1.00 1.07 H new ATOM 542 N ALA A 34 9.565 0.394 -12.822 1.00 0.25 N ATOM 543 CA ALA A 34 8.450 0.830 -11.929 1.00 0.27 C ATOM 544 C ALA A 34 8.287 2.382 -11.906 1.00 0.26 C ATOM 545 O ALA A 34 7.215 2.905 -12.136 1.00 0.43 O ATOM 546 CB ALA A 34 8.759 0.314 -10.544 1.00 0.27 C ATOM 0 H ALA A 34 10.288 -0.158 -12.360 1.00 0.25 H new ATOM 0 HA ALA A 34 7.507 0.428 -12.301 1.00 0.27 H new ATOM 0 HB1 ALA A 34 7.965 0.612 -9.859 1.00 0.27 H new ATOM 0 HB2 ALA A 34 8.828 -0.774 -10.568 1.00 0.27 H new ATOM 0 HB3 ALA A 34 9.707 0.730 -10.204 1.00 0.27 H new ATOM 552 N THR A 35 9.369 3.071 -11.655 1.00 0.11 N ATOM 553 CA THR A 35 9.368 4.579 -11.589 1.00 0.10 C ATOM 554 C THR A 35 9.377 5.220 -12.965 1.00 0.17 C ATOM 555 O THR A 35 8.520 6.028 -13.270 1.00 0.16 O ATOM 556 CB THR A 35 10.617 5.048 -10.812 1.00 0.11 C ATOM 557 OG1 THR A 35 11.663 4.466 -11.569 1.00 0.13 O ATOM 558 CG2 THR A 35 10.718 4.373 -9.471 1.00 0.07 C ATOM 0 H THR A 35 10.282 2.648 -11.487 1.00 0.11 H new ATOM 0 HA THR A 35 8.451 4.886 -11.086 1.00 0.10 H new ATOM 0 HB THR A 35 10.620 6.129 -10.676 1.00 0.11 H new ATOM 0 HG1 THR A 35 11.951 3.633 -11.142 1.00 0.13 H new ATOM 0 HG21 THR A 35 11.609 4.727 -8.952 1.00 0.07 H new ATOM 0 HG22 THR A 35 9.834 4.608 -8.878 1.00 0.07 H new ATOM 0 HG23 THR A 35 10.784 3.294 -9.611 1.00 0.07 H new ATOM 566 N VAL A 36 10.321 4.855 -13.772 1.00 0.24 N ATOM 567 CA VAL A 36 10.414 5.433 -15.143 1.00 0.31 C ATOM 568 C VAL A 36 9.437 4.779 -16.130 1.00 0.33 C ATOM 569 O VAL A 36 8.435 5.352 -16.522 1.00 0.33 O ATOM 570 CB VAL A 36 11.883 5.253 -15.663 1.00 0.41 C ATOM 571 CG1 VAL A 36 12.083 6.133 -16.901 1.00 0.58 C ATOM 572 CG2 VAL A 36 12.914 5.565 -14.626 1.00 0.42 C ATOM 0 H VAL A 36 11.044 4.173 -13.544 1.00 0.24 H new ATOM 0 HA VAL A 36 10.144 6.487 -15.081 1.00 0.31 H new ATOM 0 HB VAL A 36 12.019 4.202 -15.917 1.00 0.41 H new ATOM 0 HG11 VAL A 36 13.102 6.015 -17.270 1.00 0.58 H new ATOM 0 HG12 VAL A 36 11.379 5.834 -17.677 1.00 0.58 H new ATOM 0 HG13 VAL A 36 11.911 7.177 -16.637 1.00 0.58 H new ATOM 0 HG21 VAL A 36 13.909 5.421 -15.047 1.00 0.42 H new ATOM 0 HG22 VAL A 36 12.803 6.600 -14.302 1.00 0.42 H new ATOM 0 HG23 VAL A 36 12.783 4.901 -13.771 1.00 0.42 H new ATOM 582 N GLY A 37 9.803 3.573 -16.439 1.00 0.39 N ATOM 583 CA GLY A 37 9.085 2.657 -17.392 1.00 0.47 C ATOM 584 C GLY A 37 10.089 2.294 -18.491 1.00 0.53 C ATOM 585 O GLY A 37 10.800 1.310 -18.365 1.00 0.38 O ATOM 0 H GLY A 37 10.638 3.145 -16.040 1.00 0.39 H new ATOM 0 HA2 GLY A 37 8.733 1.763 -16.878 1.00 0.47 H new ATOM 0 HA3 GLY A 37 8.208 3.148 -17.815 1.00 0.47 H new ATOM 589 N ASP A 38 10.117 3.116 -19.508 1.00 0.78 N ATOM 590 CA ASP A 38 11.036 2.910 -20.657 1.00 0.90 C ATOM 591 C ASP A 38 12.396 3.538 -20.343 1.00 0.88 C ATOM 592 O ASP A 38 12.527 4.338 -19.432 1.00 0.92 O ATOM 593 CB ASP A 38 10.411 3.575 -21.892 1.00 1.15 C ATOM 594 CG ASP A 38 9.208 2.797 -22.378 1.00 1.19 C ATOM 595 OD1 ASP A 38 9.461 1.908 -23.176 1.00 1.51 O ATOM 596 OD2 ASP A 38 8.131 3.138 -21.920 1.00 1.78 O ATOM 0 H ASP A 38 9.524 3.942 -19.588 1.00 0.78 H new ATOM 0 HA ASP A 38 11.184 1.847 -20.846 1.00 0.90 H new ATOM 0 HB2 ASP A 38 10.114 4.595 -21.649 1.00 1.15 H new ATOM 0 HB3 ASP A 38 11.152 3.640 -22.688 1.00 1.15 H new ATOM 601 N ILE A 39 13.356 3.158 -21.143 1.00 1.02 N ATOM 602 CA ILE A 39 14.754 3.661 -20.979 1.00 0.99 C ATOM 603 C ILE A 39 15.196 4.645 -22.100 1.00 1.19 C ATOM 604 O ILE A 39 15.112 4.405 -23.286 1.00 1.32 O ATOM 605 CB ILE A 39 15.584 2.342 -20.861 1.00 0.87 C ATOM 606 CG1 ILE A 39 17.071 2.563 -20.628 1.00 0.75 C ATOM 607 CG2 ILE A 39 15.395 1.469 -22.094 1.00 0.88 C ATOM 608 CD1 ILE A 39 17.698 1.209 -20.165 1.00 0.57 C ATOM 0 H ILE A 39 13.229 2.508 -21.918 1.00 1.02 H new ATOM 0 HA ILE A 39 14.893 4.296 -20.104 1.00 0.99 H new ATOM 0 HB ILE A 39 15.194 1.839 -19.976 1.00 0.87 H new ATOM 0 HG12 ILE A 39 17.551 2.912 -21.542 1.00 0.75 H new ATOM 0 HG13 ILE A 39 17.227 3.333 -19.872 1.00 0.75 H new ATOM 0 HG21 ILE A 39 15.983 0.557 -21.988 1.00 0.88 H new ATOM 0 HG22 ILE A 39 14.341 1.211 -22.199 1.00 0.88 H new ATOM 0 HG23 ILE A 39 15.726 2.013 -22.979 1.00 0.88 H new ATOM 0 HD11 ILE A 39 18.766 1.343 -19.991 1.00 0.57 H new ATOM 0 HD12 ILE A 39 17.219 0.883 -19.242 1.00 0.57 H new ATOM 0 HD13 ILE A 39 17.548 0.455 -20.938 1.00 0.57 H new ATOM 620 N ASN A 40 15.663 5.768 -21.623 1.00 1.23 N ATOM 621 CA ASN A 40 16.161 6.918 -22.477 1.00 1.43 C ATOM 622 C ASN A 40 17.536 7.406 -21.935 1.00 1.43 C ATOM 623 O ASN A 40 17.897 8.568 -21.931 1.00 1.58 O ATOM 624 CB ASN A 40 15.044 7.981 -22.388 1.00 1.50 C ATOM 625 CG ASN A 40 14.698 8.150 -20.913 1.00 1.40 C ATOM 626 OD1 ASN A 40 15.316 8.879 -20.178 1.00 1.65 O ATOM 627 ND2 ASN A 40 13.721 7.490 -20.388 1.00 1.08 N ATOM 0 H ASN A 40 15.727 5.955 -20.622 1.00 1.23 H new ATOM 0 HA ASN A 40 16.342 6.656 -23.519 1.00 1.43 H new ATOM 0 HB2 ASN A 40 15.378 8.926 -22.815 1.00 1.50 H new ATOM 0 HB3 ASN A 40 14.168 7.667 -22.955 1.00 1.50 H new ATOM 0 HD21 ASN A 40 13.505 7.600 -19.397 1.00 1.08 H new ATOM 0 HD22 ASN A 40 13.164 6.859 -20.964 1.00 1.08 H new ATOM 634 N THR A 41 18.249 6.415 -21.504 1.00 1.27 N ATOM 635 CA THR A 41 19.620 6.547 -20.902 1.00 1.26 C ATOM 636 C THR A 41 20.699 5.882 -21.766 1.00 1.29 C ATOM 637 O THR A 41 20.369 5.241 -22.742 1.00 1.31 O ATOM 638 CB THR A 41 19.564 5.879 -19.528 1.00 0.99 C ATOM 639 OG1 THR A 41 19.156 4.558 -19.857 1.00 0.60 O ATOM 640 CG2 THR A 41 18.340 6.301 -18.719 1.00 1.05 C ATOM 0 H THR A 41 17.923 5.449 -21.543 1.00 1.27 H new ATOM 0 HA THR A 41 19.890 7.601 -20.831 1.00 1.26 H new ATOM 0 HB THR A 41 20.496 6.070 -18.996 1.00 0.99 H new ATOM 0 HG1 THR A 41 19.869 3.928 -19.622 1.00 0.60 H new ATOM 0 HG21 THR A 41 18.351 5.797 -17.753 1.00 1.05 H new ATOM 0 HG22 THR A 41 18.360 7.380 -18.565 1.00 1.05 H new ATOM 0 HG23 THR A 41 17.434 6.028 -19.260 1.00 1.05 H new ATOM 798 N GLY A 51 26.740 0.148 -14.993 1.00 0.73 N ATOM 799 CA GLY A 51 25.865 0.945 -15.893 1.00 0.82 C ATOM 800 C GLY A 51 25.301 0.181 -17.102 1.00 0.43 C ATOM 801 O GLY A 51 24.084 0.130 -17.202 1.00 0.60 O ATOM 0 HA2 GLY A 51 25.032 1.337 -15.310 1.00 0.82 H new ATOM 0 HA3 GLY A 51 26.430 1.803 -16.257 1.00 0.82 H new ATOM 805 N LYS A 52 26.111 -0.386 -18.001 1.00 0.24 N ATOM 806 CA LYS A 52 25.444 -1.123 -19.148 1.00 0.46 C ATOM 807 C LYS A 52 24.471 -2.086 -18.495 1.00 0.49 C ATOM 808 O LYS A 52 23.305 -2.017 -18.784 1.00 0.59 O ATOM 809 CB LYS A 52 26.465 -1.899 -19.953 1.00 0.51 C ATOM 810 CG LYS A 52 27.092 -0.993 -21.023 1.00 0.90 C ATOM 811 CD LYS A 52 28.566 -1.143 -20.839 1.00 1.03 C ATOM 812 CE LYS A 52 29.349 -0.559 -22.014 1.00 1.98 C ATOM 813 NZ LYS A 52 29.554 0.880 -21.747 1.00 3.01 N ATOM 0 H LYS A 52 27.131 -0.373 -17.993 1.00 0.24 H new ATOM 0 HA LYS A 52 24.951 -0.432 -19.832 1.00 0.46 H new ATOM 0 HB2 LYS A 52 27.241 -2.287 -19.293 1.00 0.51 H new ATOM 0 HB3 LYS A 52 25.990 -2.758 -20.426 1.00 0.51 H new ATOM 0 HG2 LYS A 52 26.786 -1.295 -22.025 1.00 0.90 H new ATOM 0 HG3 LYS A 52 26.781 0.044 -20.894 1.00 0.90 H new ATOM 0 HD2 LYS A 52 28.869 -0.646 -19.918 1.00 1.03 H new ATOM 0 HD3 LYS A 52 28.812 -2.199 -20.727 1.00 1.03 H new ATOM 0 HE2 LYS A 52 30.307 -1.067 -22.126 1.00 1.98 H new ATOM 0 HE3 LYS A 52 28.802 -0.701 -22.946 1.00 1.98 H new ATOM 0 HZ1 LYS A 52 30.086 1.306 -22.532 1.00 3.01 H new ATOM 0 HZ2 LYS A 52 28.631 1.351 -21.658 1.00 3.01 H new ATOM 0 HZ3 LYS A 52 30.089 0.996 -20.863 1.00 3.01 H new ATOM 827 N ALA A 53 25.007 -2.938 -17.663 1.00 0.48 N ATOM 828 CA ALA A 53 24.231 -3.947 -16.887 1.00 0.57 C ATOM 829 C ALA A 53 22.837 -3.383 -16.596 1.00 0.52 C ATOM 830 O ALA A 53 21.846 -3.895 -17.057 1.00 0.64 O ATOM 831 CB ALA A 53 25.082 -4.228 -15.625 1.00 0.63 C ATOM 0 H ALA A 53 26.010 -2.975 -17.482 1.00 0.48 H new ATOM 0 HA ALA A 53 24.057 -4.885 -17.414 1.00 0.57 H new ATOM 0 HB1 ALA A 53 24.575 -4.964 -15.001 1.00 0.63 H new ATOM 0 HB2 ALA A 53 26.057 -4.614 -15.922 1.00 0.63 H new ATOM 0 HB3 ALA A 53 25.214 -3.304 -15.062 1.00 0.63 H new ATOM 837 N LYS A 54 22.811 -2.322 -15.843 1.00 0.37 N ATOM 838 CA LYS A 54 21.509 -1.653 -15.487 1.00 0.31 C ATOM 839 C LYS A 54 20.648 -1.460 -16.708 1.00 0.27 C ATOM 840 O LYS A 54 19.484 -1.810 -16.730 1.00 0.25 O ATOM 841 CB LYS A 54 21.835 -0.345 -14.921 1.00 0.35 C ATOM 842 CG LYS A 54 22.430 -0.565 -13.598 1.00 1.37 C ATOM 843 CD LYS A 54 23.438 0.460 -13.396 1.00 0.45 C ATOM 844 CE LYS A 54 23.262 1.938 -13.867 1.00 0.35 C ATOM 845 NZ LYS A 54 22.187 2.653 -13.152 1.00 1.35 N ATOM 0 H LYS A 54 23.640 -1.877 -15.450 1.00 0.37 H new ATOM 0 HA LYS A 54 20.957 -2.273 -14.781 1.00 0.31 H new ATOM 0 HB2 LYS A 54 22.530 0.189 -15.569 1.00 0.35 H new ATOM 0 HB3 LYS A 54 20.939 0.270 -14.839 1.00 0.35 H new ATOM 0 HG2 LYS A 54 21.667 -0.511 -12.821 1.00 1.37 H new ATOM 0 HG3 LYS A 54 22.876 -1.558 -13.539 1.00 1.37 H new ATOM 0 HD2 LYS A 54 23.627 0.499 -12.323 1.00 0.45 H new ATOM 0 HD3 LYS A 54 24.350 0.093 -13.867 1.00 0.45 H new ATOM 0 HE2 LYS A 54 24.202 2.472 -13.725 1.00 0.35 H new ATOM 0 HE3 LYS A 54 23.048 1.949 -14.936 1.00 0.35 H new ATOM 0 HZ1 LYS A 54 21.982 3.549 -13.639 1.00 1.35 H new ATOM 0 HZ2 LYS A 54 21.330 2.064 -13.135 1.00 1.35 H new ATOM 0 HZ3 LYS A 54 22.490 2.851 -12.177 1.00 1.35 H new ATOM 859 N TRP A 55 21.303 -0.904 -17.690 1.00 0.31 N ATOM 860 CA TRP A 55 20.677 -0.609 -18.991 1.00 0.34 C ATOM 861 C TRP A 55 20.223 -1.947 -19.532 1.00 0.44 C ATOM 862 O TRP A 55 19.067 -2.264 -19.457 1.00 0.40 O ATOM 863 CB TRP A 55 21.747 0.023 -19.846 1.00 0.30 C ATOM 864 CG TRP A 55 21.180 1.085 -20.712 1.00 0.40 C ATOM 865 CD1 TRP A 55 20.948 2.309 -20.229 1.00 0.50 C ATOM 866 CD2 TRP A 55 20.889 1.019 -22.018 1.00 0.63 C ATOM 867 NE1 TRP A 55 20.529 2.932 -21.299 1.00 0.74 N ATOM 868 CE2 TRP A 55 20.464 2.253 -22.423 1.00 0.84 C ATOM 869 CE3 TRP A 55 20.955 -0.020 -22.915 1.00 0.76 C ATOM 870 CZ2 TRP A 55 20.126 2.473 -23.729 1.00 1.13 C ATOM 871 CZ3 TRP A 55 20.609 0.195 -24.231 1.00 1.05 C ATOM 872 CH2 TRP A 55 20.198 1.446 -24.637 1.00 1.21 C ATOM 0 H TRP A 55 22.285 -0.635 -17.631 1.00 0.31 H new ATOM 0 HA TRP A 55 19.826 0.070 -18.949 1.00 0.34 H new ATOM 0 HB2 TRP A 55 22.524 0.445 -19.209 1.00 0.30 H new ATOM 0 HB3 TRP A 55 22.221 -0.740 -20.464 1.00 0.30 H new ATOM 0 HD1 TRP A 55 21.073 2.683 -19.224 1.00 0.50 H new ATOM 0 HE1 TRP A 55 20.261 3.915 -21.263 1.00 0.74 H new ATOM 0 HE3 TRP A 55 21.276 -0.999 -22.590 1.00 0.76 H new ATOM 0 HZ2 TRP A 55 19.803 3.453 -24.046 1.00 1.13 H new ATOM 0 HZ3 TRP A 55 20.660 -0.615 -24.943 1.00 1.05 H new ATOM 0 HH2 TRP A 55 19.933 1.618 -25.670 1.00 1.21 H new ATOM 883 N ASP A 56 21.140 -2.699 -20.038 1.00 0.63 N ATOM 884 CA ASP A 56 20.873 -4.033 -20.607 1.00 0.67 C ATOM 885 C ASP A 56 19.712 -4.781 -19.902 1.00 0.73 C ATOM 886 O ASP A 56 18.812 -5.325 -20.513 1.00 0.86 O ATOM 887 CB ASP A 56 22.317 -4.613 -20.517 1.00 0.72 C ATOM 888 CG ASP A 56 22.974 -4.340 -21.845 1.00 0.85 C ATOM 889 OD1 ASP A 56 22.399 -4.797 -22.807 1.00 1.38 O ATOM 890 OD2 ASP A 56 23.998 -3.679 -21.868 1.00 1.76 O ATOM 0 H ASP A 56 22.122 -2.426 -20.082 1.00 0.63 H new ATOM 0 HA ASP A 56 20.469 -4.089 -21.618 1.00 0.67 H new ATOM 0 HB2 ASP A 56 22.873 -4.143 -19.706 1.00 0.72 H new ATOM 0 HB3 ASP A 56 22.293 -5.683 -20.309 1.00 0.72 H new ATOM 895 N ALA A 57 19.768 -4.779 -18.608 1.00 0.68 N ATOM 896 CA ALA A 57 18.750 -5.426 -17.758 1.00 0.72 C ATOM 897 C ALA A 57 17.383 -4.686 -17.884 1.00 0.76 C ATOM 898 O ALA A 57 16.366 -5.233 -18.264 1.00 1.08 O ATOM 899 CB ALA A 57 19.343 -5.382 -16.334 1.00 0.68 C ATOM 0 H ALA A 57 20.518 -4.331 -18.082 1.00 0.68 H new ATOM 0 HA ALA A 57 18.534 -6.454 -18.048 1.00 0.72 H new ATOM 0 HB1 ALA A 57 18.646 -5.845 -15.635 1.00 0.68 H new ATOM 0 HB2 ALA A 57 20.288 -5.924 -16.317 1.00 0.68 H new ATOM 0 HB3 ALA A 57 19.514 -4.346 -16.043 1.00 0.68 H new ATOM 905 N TRP A 58 17.387 -3.414 -17.561 1.00 0.44 N ATOM 906 CA TRP A 58 16.132 -2.562 -17.630 1.00 0.46 C ATOM 907 C TRP A 58 15.566 -2.595 -19.082 1.00 0.56 C ATOM 908 O TRP A 58 14.389 -2.744 -19.359 1.00 0.70 O ATOM 909 CB TRP A 58 16.536 -1.143 -17.171 1.00 0.41 C ATOM 910 CG TRP A 58 15.334 -0.186 -17.240 1.00 0.37 C ATOM 911 CD1 TRP A 58 14.018 -0.566 -17.281 1.00 0.37 C ATOM 912 CD2 TRP A 58 15.422 1.162 -17.300 1.00 0.38 C ATOM 913 NE1 TRP A 58 13.401 0.608 -17.373 1.00 0.38 N ATOM 914 CE2 TRP A 58 14.160 1.673 -17.388 1.00 0.40 C ATOM 915 CE3 TRP A 58 16.481 2.048 -17.286 1.00 0.38 C ATOM 916 CZ2 TRP A 58 13.921 3.012 -17.464 1.00 0.44 C ATOM 917 CZ3 TRP A 58 16.242 3.407 -17.363 1.00 0.42 C ATOM 918 CH2 TRP A 58 14.970 3.890 -17.453 1.00 0.46 C ATOM 0 H TRP A 58 18.217 -2.912 -17.246 1.00 0.44 H new ATOM 0 HA TRP A 58 15.336 -2.931 -16.983 1.00 0.46 H new ATOM 0 HB2 TRP A 58 16.919 -1.181 -16.151 1.00 0.41 H new ATOM 0 HB3 TRP A 58 17.343 -0.768 -17.801 1.00 0.41 H new ATOM 0 HD1 TRP A 58 13.594 -1.559 -17.247 1.00 0.37 H new ATOM 0 HE1 TRP A 58 12.385 0.675 -17.429 1.00 0.38 H new ATOM 0 HE3 TRP A 58 17.494 1.680 -17.215 1.00 0.38 H new ATOM 0 HZ2 TRP A 58 12.908 3.379 -17.533 1.00 0.44 H new ATOM 0 HZ3 TRP A 58 17.074 4.096 -17.352 1.00 0.42 H new ATOM 0 HH2 TRP A 58 14.793 4.954 -17.515 1.00 0.46 H new ATOM 929 N ASN A 59 16.502 -2.450 -19.970 1.00 0.53 N ATOM 930 CA ASN A 59 16.398 -2.439 -21.469 1.00 0.80 C ATOM 931 C ASN A 59 15.509 -3.619 -21.909 1.00 0.85 C ATOM 932 O ASN A 59 15.032 -3.640 -23.029 1.00 1.13 O ATOM 933 CB ASN A 59 17.897 -2.524 -21.977 1.00 0.83 C ATOM 934 CG ASN A 59 18.175 -2.601 -23.475 1.00 1.24 C ATOM 935 OD1 ASN A 59 19.242 -2.911 -23.958 1.00 2.89 O ATOM 936 ND2 ASN A 59 17.269 -2.318 -24.318 1.00 0.99 N ATOM 0 H ASN A 59 17.470 -2.321 -19.674 1.00 0.53 H new ATOM 0 HA ASN A 59 15.927 -1.551 -21.890 1.00 0.80 H new ATOM 0 HB2 ASN A 59 18.424 -1.651 -21.591 1.00 0.83 H new ATOM 0 HB3 ASN A 59 18.350 -3.401 -21.514 1.00 0.83 H new ATOM 0 HD21 ASN A 59 17.470 -2.362 -25.317 1.00 0.99 H new ATOM 0 HD22 ASN A 59 16.340 -2.047 -23.996 1.00 0.99 H new ATOM 943 N GLU A 60 15.319 -4.539 -20.990 1.00 0.66 N ATOM 944 CA GLU A 60 14.480 -5.759 -21.250 1.00 0.79 C ATOM 945 C GLU A 60 13.044 -5.648 -20.682 1.00 0.72 C ATOM 946 O GLU A 60 12.046 -6.062 -21.246 1.00 0.89 O ATOM 947 CB GLU A 60 15.203 -6.962 -20.619 1.00 0.86 C ATOM 948 CG GLU A 60 14.771 -8.264 -21.365 1.00 1.37 C ATOM 949 CD GLU A 60 15.551 -8.421 -22.680 1.00 3.08 C ATOM 950 OE1 GLU A 60 15.485 -7.511 -23.493 1.00 4.48 O ATOM 951 OE2 GLU A 60 16.170 -9.465 -22.778 1.00 3.04 O ATOM 0 H GLU A 60 15.718 -4.496 -20.052 1.00 0.66 H new ATOM 0 HA GLU A 60 14.366 -5.874 -22.328 1.00 0.79 H new ATOM 0 HB2 GLU A 60 16.283 -6.830 -20.687 1.00 0.86 H new ATOM 0 HB3 GLU A 60 14.957 -7.036 -19.560 1.00 0.86 H new ATOM 0 HG2 GLU A 60 14.946 -9.130 -20.727 1.00 1.37 H new ATOM 0 HG3 GLU A 60 13.701 -8.232 -21.572 1.00 1.37 H new ATOM 958 N LEU A 61 13.004 -5.032 -19.540 1.00 0.51 N ATOM 959 CA LEU A 61 11.723 -4.815 -18.790 1.00 0.41 C ATOM 960 C LEU A 61 10.829 -3.737 -19.362 1.00 0.32 C ATOM 961 O LEU A 61 9.623 -3.887 -19.319 1.00 0.19 O ATOM 962 CB LEU A 61 12.010 -4.385 -17.387 1.00 0.40 C ATOM 963 CG LEU A 61 13.068 -5.162 -16.687 1.00 0.42 C ATOM 964 CD1 LEU A 61 13.081 -4.550 -15.323 1.00 0.34 C ATOM 965 CD2 LEU A 61 12.742 -6.618 -16.694 1.00 0.49 C ATOM 0 H LEU A 61 13.829 -4.655 -19.073 1.00 0.51 H new ATOM 0 HA LEU A 61 11.212 -5.776 -18.858 1.00 0.41 H new ATOM 0 HB2 LEU A 61 12.302 -3.335 -17.399 1.00 0.40 H new ATOM 0 HB3 LEU A 61 11.089 -4.454 -16.808 1.00 0.40 H new ATOM 0 HG LEU A 61 14.052 -5.115 -17.154 1.00 0.42 H new ATOM 0 HD11 LEU A 61 13.831 -5.047 -14.708 1.00 0.34 H new ATOM 0 HD12 LEU A 61 13.321 -3.490 -15.402 1.00 0.34 H new ATOM 0 HD13 LEU A 61 12.100 -4.666 -14.863 1.00 0.34 H new ATOM 0 HD21 LEU A 61 13.528 -7.169 -16.177 1.00 0.49 H new ATOM 0 HD22 LEU A 61 11.791 -6.780 -16.187 1.00 0.49 H new ATOM 0 HD23 LEU A 61 12.669 -6.970 -17.723 1.00 0.49 H new ATOM 977 N LYS A 62 11.520 -2.748 -19.852 1.00 0.46 N ATOM 978 CA LYS A 62 10.967 -1.511 -20.493 1.00 0.61 C ATOM 979 C LYS A 62 9.443 -1.501 -20.794 1.00 0.83 C ATOM 980 O LYS A 62 8.746 -0.547 -20.528 1.00 1.70 O ATOM 981 CB LYS A 62 11.863 -1.385 -21.734 1.00 0.58 C ATOM 982 CG LYS A 62 11.275 -0.351 -22.662 1.00 0.49 C ATOM 983 CD LYS A 62 11.542 -0.723 -24.141 1.00 0.23 C ATOM 984 CE LYS A 62 10.576 -1.866 -24.524 1.00 1.92 C ATOM 985 NZ LYS A 62 10.809 -2.255 -25.953 1.00 2.69 N ATOM 0 H LYS A 62 12.540 -2.748 -19.832 1.00 0.46 H new ATOM 0 HA LYS A 62 11.000 -0.652 -19.823 1.00 0.61 H new ATOM 0 HB2 LYS A 62 12.873 -1.097 -21.441 1.00 0.58 H new ATOM 0 HB3 LYS A 62 11.940 -2.346 -22.242 1.00 0.58 H new ATOM 0 HG2 LYS A 62 10.202 -0.271 -22.491 1.00 0.49 H new ATOM 0 HG3 LYS A 62 11.706 0.626 -22.445 1.00 0.49 H new ATOM 0 HD2 LYS A 62 11.385 0.141 -24.786 1.00 0.23 H new ATOM 0 HD3 LYS A 62 12.577 -1.037 -24.275 1.00 0.23 H new ATOM 0 HE2 LYS A 62 10.734 -2.725 -23.871 1.00 1.92 H new ATOM 0 HE3 LYS A 62 9.543 -1.546 -24.386 1.00 1.92 H new ATOM 0 HZ1 LYS A 62 10.160 -3.025 -26.214 1.00 2.69 H new ATOM 0 HZ2 LYS A 62 10.638 -1.434 -26.569 1.00 2.69 H new ATOM 0 HZ3 LYS A 62 11.791 -2.576 -26.070 1.00 2.69 H new ATOM 999 N GLY A 63 8.999 -2.578 -21.356 1.00 0.32 N ATOM 1000 CA GLY A 63 7.539 -2.770 -21.725 1.00 0.28 C ATOM 1001 C GLY A 63 6.738 -3.618 -20.701 1.00 0.33 C ATOM 1002 O GLY A 63 5.853 -4.374 -21.049 1.00 0.61 O ATOM 0 H GLY A 63 9.592 -3.373 -21.592 1.00 0.32 H new ATOM 0 HA2 GLY A 63 7.067 -1.792 -21.821 1.00 0.28 H new ATOM 0 HA3 GLY A 63 7.481 -3.249 -22.703 1.00 0.28 H new ATOM 1006 N THR A 64 7.095 -3.440 -19.466 1.00 0.15 N ATOM 1007 CA THR A 64 6.462 -4.144 -18.291 1.00 0.24 C ATOM 1008 C THR A 64 5.442 -3.218 -17.666 1.00 0.28 C ATOM 1009 O THR A 64 5.345 -2.048 -17.998 1.00 0.35 O ATOM 1010 CB THR A 64 7.529 -4.470 -17.191 1.00 0.19 C ATOM 1011 OG1 THR A 64 8.230 -5.579 -17.693 1.00 0.63 O ATOM 1012 CG2 THR A 64 7.056 -5.020 -15.833 1.00 0.32 C ATOM 0 H THR A 64 7.842 -2.800 -19.196 1.00 0.15 H new ATOM 0 HA THR A 64 6.009 -5.069 -18.648 1.00 0.24 H new ATOM 0 HB THR A 64 8.026 -3.517 -17.011 1.00 0.19 H new ATOM 0 HG1 THR A 64 8.874 -5.280 -18.369 1.00 0.63 H new ATOM 0 HG21 THR A 64 7.919 -5.191 -15.189 1.00 0.32 H new ATOM 0 HG22 THR A 64 6.388 -4.299 -15.361 1.00 0.32 H new ATOM 0 HG23 THR A 64 6.525 -5.960 -15.986 1.00 0.32 H new ATOM 1020 N SER A 65 4.684 -3.773 -16.767 1.00 0.37 N ATOM 1021 CA SER A 65 3.666 -2.961 -16.066 1.00 0.48 C ATOM 1022 C SER A 65 4.378 -2.626 -14.771 1.00 0.48 C ATOM 1023 O SER A 65 4.823 -3.441 -13.990 1.00 0.50 O ATOM 1024 CB SER A 65 2.400 -3.743 -15.780 1.00 0.61 C ATOM 1025 OG SER A 65 2.766 -5.116 -15.665 1.00 1.05 O ATOM 0 H SER A 65 4.728 -4.754 -16.490 1.00 0.37 H new ATOM 0 HA SER A 65 3.337 -2.100 -16.647 1.00 0.48 H new ATOM 0 HB2 SER A 65 1.931 -3.392 -14.861 1.00 0.61 H new ATOM 0 HB3 SER A 65 1.674 -3.605 -16.581 1.00 0.61 H new ATOM 0 HG SER A 65 2.591 -5.426 -14.752 1.00 1.05 H new ATOM 1031 N LYS A 66 4.469 -1.355 -14.583 1.00 0.45 N ATOM 1032 CA LYS A 66 5.145 -0.751 -13.379 1.00 0.46 C ATOM 1033 C LYS A 66 5.042 -1.453 -12.025 1.00 0.42 C ATOM 1034 O LYS A 66 5.963 -1.541 -11.239 1.00 0.36 O ATOM 1035 CB LYS A 66 4.631 0.695 -13.235 1.00 0.41 C ATOM 1036 CG LYS A 66 5.294 1.480 -14.425 1.00 0.45 C ATOM 1037 CD LYS A 66 5.237 3.033 -14.273 1.00 0.31 C ATOM 1038 CE LYS A 66 6.491 3.571 -15.023 1.00 1.30 C ATOM 1039 NZ LYS A 66 6.579 5.056 -14.930 1.00 1.14 N ATOM 0 H LYS A 66 4.092 -0.665 -15.232 1.00 0.45 H new ATOM 0 HA LYS A 66 6.207 -0.849 -13.604 1.00 0.46 H new ATOM 0 HB2 LYS A 66 3.543 0.735 -13.292 1.00 0.41 H new ATOM 0 HB3 LYS A 66 4.915 1.122 -12.273 1.00 0.41 H new ATOM 0 HG2 LYS A 66 6.336 1.172 -14.514 1.00 0.45 H new ATOM 0 HG3 LYS A 66 4.798 1.198 -15.354 1.00 0.45 H new ATOM 0 HD2 LYS A 66 4.320 3.436 -14.703 1.00 0.31 H new ATOM 0 HD3 LYS A 66 5.252 3.325 -13.223 1.00 0.31 H new ATOM 0 HE2 LYS A 66 7.391 3.124 -14.600 1.00 1.30 H new ATOM 0 HE3 LYS A 66 6.448 3.272 -16.070 1.00 1.30 H new ATOM 0 HZ1 LYS A 66 7.124 5.423 -15.736 1.00 1.14 H new ATOM 0 HZ2 LYS A 66 5.622 5.462 -14.945 1.00 1.14 H new ATOM 0 HZ3 LYS A 66 7.053 5.321 -14.043 1.00 1.14 H new ATOM 1053 N GLU A 67 3.879 -1.941 -11.790 1.00 0.46 N ATOM 1054 CA GLU A 67 3.598 -2.652 -10.508 1.00 0.45 C ATOM 1055 C GLU A 67 4.327 -3.960 -10.344 1.00 0.43 C ATOM 1056 O GLU A 67 4.938 -4.198 -9.323 1.00 0.42 O ATOM 1057 CB GLU A 67 2.132 -2.875 -10.428 1.00 0.73 C ATOM 1058 CG GLU A 67 1.676 -2.121 -9.117 1.00 1.72 C ATOM 1059 CD GLU A 67 2.222 -2.894 -7.900 1.00 3.74 C ATOM 1060 OE1 GLU A 67 1.936 -4.073 -7.860 1.00 4.95 O ATOM 1061 OE2 GLU A 67 2.886 -2.294 -7.082 1.00 4.26 O ATOM 0 H GLU A 67 3.088 -1.885 -12.432 1.00 0.46 H new ATOM 0 HA GLU A 67 3.964 -2.021 -9.698 1.00 0.45 H new ATOM 0 HB2 GLU A 67 1.624 -2.480 -11.308 1.00 0.73 H new ATOM 0 HB3 GLU A 67 1.897 -3.938 -10.374 1.00 0.73 H new ATOM 0 HG2 GLU A 67 2.052 -1.098 -9.117 1.00 1.72 H new ATOM 0 HG3 GLU A 67 0.589 -2.061 -9.072 1.00 1.72 H new ATOM 1068 N ASP A 68 4.235 -4.784 -11.349 1.00 0.44 N ATOM 1069 CA ASP A 68 4.933 -6.100 -11.283 1.00 0.44 C ATOM 1070 C ASP A 68 6.382 -5.861 -10.878 1.00 0.41 C ATOM 1071 O ASP A 68 6.963 -6.562 -10.069 1.00 0.42 O ATOM 1072 CB ASP A 68 4.663 -6.649 -12.660 1.00 0.36 C ATOM 1073 CG ASP A 68 3.216 -7.121 -12.583 1.00 0.34 C ATOM 1074 OD1 ASP A 68 3.001 -8.109 -11.899 1.00 1.07 O ATOM 1075 OD2 ASP A 68 2.432 -6.432 -13.209 1.00 0.51 O ATOM 0 H ASP A 68 3.712 -4.607 -12.207 1.00 0.44 H new ATOM 0 HA ASP A 68 4.606 -6.826 -10.539 1.00 0.44 H new ATOM 0 HB2 ASP A 68 4.795 -5.887 -13.428 1.00 0.36 H new ATOM 0 HB3 ASP A 68 5.339 -7.468 -12.904 1.00 0.36 H new ATOM 1080 N ALA A 69 6.911 -4.838 -11.479 1.00 0.39 N ATOM 1081 CA ALA A 69 8.317 -4.451 -11.170 1.00 0.39 C ATOM 1082 C ALA A 69 8.351 -4.278 -9.621 1.00 0.41 C ATOM 1083 O ALA A 69 9.206 -4.833 -8.966 1.00 0.42 O ATOM 1084 CB ALA A 69 8.603 -3.149 -11.903 1.00 0.37 C ATOM 0 H ALA A 69 6.437 -4.254 -12.168 1.00 0.39 H new ATOM 0 HA ALA A 69 9.069 -5.176 -11.482 1.00 0.39 H new ATOM 0 HB1 ALA A 69 9.627 -2.834 -11.700 1.00 0.37 H new ATOM 0 HB2 ALA A 69 8.476 -3.300 -12.975 1.00 0.37 H new ATOM 0 HB3 ALA A 69 7.912 -2.379 -11.560 1.00 0.37 H new ATOM 1090 N MET A 70 7.421 -3.520 -9.091 1.00 0.40 N ATOM 1091 CA MET A 70 7.349 -3.291 -7.609 1.00 0.40 C ATOM 1092 C MET A 70 7.303 -4.588 -6.806 1.00 0.41 C ATOM 1093 O MET A 70 8.155 -4.796 -5.967 1.00 0.44 O ATOM 1094 CB MET A 70 6.072 -2.522 -7.142 1.00 0.41 C ATOM 1095 CG MET A 70 6.012 -1.109 -7.599 1.00 0.44 C ATOM 1096 SD MET A 70 4.830 -0.107 -6.668 1.00 0.65 S ATOM 1097 CE MET A 70 4.783 1.246 -7.857 1.00 0.43 C ATOM 0 H MET A 70 6.698 -3.043 -9.629 1.00 0.40 H new ATOM 0 HA MET A 70 8.255 -2.713 -7.425 1.00 0.40 H new ATOM 0 HB2 MET A 70 5.190 -3.048 -7.508 1.00 0.41 H new ATOM 0 HB3 MET A 70 6.027 -2.542 -6.053 1.00 0.41 H new ATOM 0 HG2 MET A 70 7.003 -0.664 -7.512 1.00 0.44 H new ATOM 0 HG3 MET A 70 5.744 -1.087 -8.655 1.00 0.44 H new ATOM 0 HE1 MET A 70 4.101 2.019 -7.502 1.00 0.43 H new ATOM 0 HE2 MET A 70 5.782 1.667 -7.969 1.00 0.43 H new ATOM 0 HE3 MET A 70 4.437 0.872 -8.821 1.00 0.43 H new ATOM 1107 N LYS A 71 6.292 -5.359 -7.124 1.00 0.35 N ATOM 1108 CA LYS A 71 5.997 -6.684 -6.488 1.00 0.37 C ATOM 1109 C LYS A 71 7.258 -7.390 -5.986 1.00 0.53 C ATOM 1110 O LYS A 71 7.321 -7.864 -4.877 1.00 0.75 O ATOM 1111 CB LYS A 71 5.229 -7.514 -7.549 1.00 0.28 C ATOM 1112 CG LYS A 71 3.838 -6.891 -7.797 1.00 0.71 C ATOM 1113 CD LYS A 71 3.013 -7.904 -8.641 1.00 1.37 C ATOM 1114 CE LYS A 71 1.841 -7.245 -9.383 1.00 2.89 C ATOM 1115 NZ LYS A 71 1.115 -6.324 -8.452 1.00 3.39 N ATOM 0 H LYS A 71 5.617 -5.105 -7.845 1.00 0.35 H new ATOM 0 HA LYS A 71 5.392 -6.554 -5.590 1.00 0.37 H new ATOM 0 HB2 LYS A 71 5.795 -7.544 -8.480 1.00 0.28 H new ATOM 0 HB3 LYS A 71 5.121 -8.544 -7.209 1.00 0.28 H new ATOM 0 HG2 LYS A 71 3.337 -6.683 -6.851 1.00 0.71 H new ATOM 0 HG3 LYS A 71 3.932 -5.941 -8.323 1.00 0.71 H new ATOM 0 HD2 LYS A 71 3.670 -8.387 -9.365 1.00 1.37 H new ATOM 0 HD3 LYS A 71 2.629 -8.687 -7.987 1.00 1.37 H new ATOM 0 HE2 LYS A 71 2.209 -6.691 -10.246 1.00 2.89 H new ATOM 0 HE3 LYS A 71 1.161 -8.008 -9.761 1.00 2.89 H new ATOM 0 HZ1 LYS A 71 0.205 -6.049 -8.875 1.00 3.39 H new ATOM 0 HZ2 LYS A 71 0.944 -6.808 -7.548 1.00 3.39 H new ATOM 0 HZ3 LYS A 71 1.690 -5.474 -8.286 1.00 3.39 H new ATOM 1129 N ALA A 72 8.227 -7.432 -6.848 1.00 0.51 N ATOM 1130 CA ALA A 72 9.535 -8.068 -6.542 1.00 0.64 C ATOM 1131 C ALA A 72 10.516 -6.939 -6.168 1.00 0.56 C ATOM 1132 O ALA A 72 11.247 -7.126 -5.218 1.00 0.62 O ATOM 1133 CB ALA A 72 9.896 -8.841 -7.811 1.00 0.77 C ATOM 0 H ALA A 72 8.165 -7.038 -7.787 1.00 0.51 H new ATOM 0 HA ALA A 72 9.543 -8.762 -5.701 1.00 0.64 H new ATOM 0 HB1 ALA A 72 10.853 -9.343 -7.671 1.00 0.77 H new ATOM 0 HB2 ALA A 72 9.124 -9.582 -8.018 1.00 0.77 H new ATOM 0 HB3 ALA A 72 9.969 -8.149 -8.650 1.00 0.77 H new ATOM 1139 N TYR A 73 10.552 -5.821 -6.865 1.00 0.47 N ATOM 1140 CA TYR A 73 11.502 -4.719 -6.495 1.00 0.39 C ATOM 1141 C TYR A 73 11.639 -4.583 -4.990 1.00 0.33 C ATOM 1142 O TYR A 73 12.692 -4.768 -4.419 1.00 0.32 O ATOM 1143 CB TYR A 73 11.025 -3.384 -7.016 1.00 0.35 C ATOM 1144 CG TYR A 73 11.962 -2.295 -6.472 1.00 0.23 C ATOM 1145 CD1 TYR A 73 13.230 -2.186 -6.978 1.00 1.63 C ATOM 1146 CD2 TYR A 73 11.553 -1.411 -5.489 1.00 1.72 C ATOM 1147 CE1 TYR A 73 14.072 -1.217 -6.517 1.00 1.64 C ATOM 1148 CE2 TYR A 73 12.409 -0.434 -5.040 1.00 1.67 C ATOM 1149 CZ TYR A 73 13.667 -0.344 -5.560 1.00 0.09 C ATOM 1150 OH TYR A 73 14.547 0.624 -5.158 1.00 0.18 O ATOM 0 H TYR A 73 9.963 -5.626 -7.675 1.00 0.47 H new ATOM 0 HA TYR A 73 12.460 -4.986 -6.942 1.00 0.39 H new ATOM 0 HB2 TYR A 73 11.028 -3.378 -8.106 1.00 0.35 H new ATOM 0 HB3 TYR A 73 9.999 -3.196 -6.699 1.00 0.35 H new ATOM 0 HD1 TYR A 73 13.564 -2.869 -7.744 1.00 1.63 H new ATOM 0 HD2 TYR A 73 10.559 -1.489 -5.074 1.00 1.72 H new ATOM 0 HE1 TYR A 73 15.072 -1.144 -6.918 1.00 1.64 H new ATOM 0 HE2 TYR A 73 12.087 0.260 -4.278 1.00 1.67 H new ATOM 0 HH TYR A 73 14.563 1.347 -5.820 1.00 0.18 H new ATOM 1160 N ILE A 74 10.510 -4.268 -4.428 1.00 0.32 N ATOM 1161 CA ILE A 74 10.390 -4.062 -2.968 1.00 0.33 C ATOM 1162 C ILE A 74 11.039 -5.228 -2.248 1.00 0.44 C ATOM 1163 O ILE A 74 12.018 -5.073 -1.565 1.00 0.43 O ATOM 1164 CB ILE A 74 8.935 -3.988 -2.615 1.00 0.39 C ATOM 1165 CG1 ILE A 74 8.211 -2.857 -3.354 1.00 0.28 C ATOM 1166 CG2 ILE A 74 8.937 -3.684 -1.123 1.00 0.43 C ATOM 1167 CD1 ILE A 74 6.724 -3.230 -3.481 1.00 0.32 C ATOM 0 H ILE A 74 9.638 -4.141 -4.941 1.00 0.32 H new ATOM 0 HA ILE A 74 10.886 -3.138 -2.671 1.00 0.33 H new ATOM 0 HB ILE A 74 8.417 -4.908 -2.887 1.00 0.39 H new ATOM 0 HG12 ILE A 74 8.321 -1.918 -2.811 1.00 0.28 H new ATOM 0 HG13 ILE A 74 8.650 -2.708 -4.341 1.00 0.28 H new ATOM 0 HG21 ILE A 74 7.910 -3.610 -0.765 1.00 0.43 H new ATOM 0 HG22 ILE A 74 9.450 -4.484 -0.589 1.00 0.43 H new ATOM 0 HG23 ILE A 74 9.452 -2.740 -0.945 1.00 0.43 H new ATOM 0 HD11 ILE A 74 6.193 -2.435 -4.005 1.00 0.32 H new ATOM 0 HD12 ILE A 74 6.629 -4.160 -4.041 1.00 0.32 H new ATOM 0 HD13 ILE A 74 6.295 -3.359 -2.487 1.00 0.32 H new ATOM 1179 N ASP A 75 10.471 -6.377 -2.404 1.00 0.56 N ATOM 1180 CA ASP A 75 10.992 -7.613 -1.773 1.00 0.64 C ATOM 1181 C ASP A 75 12.516 -7.733 -1.911 1.00 0.57 C ATOM 1182 O ASP A 75 13.262 -7.976 -0.980 1.00 0.69 O ATOM 1183 CB ASP A 75 10.148 -8.664 -2.488 1.00 0.74 C ATOM 1184 CG ASP A 75 8.745 -8.626 -1.902 1.00 0.97 C ATOM 1185 OD1 ASP A 75 8.126 -7.590 -2.104 1.00 1.64 O ATOM 1186 OD2 ASP A 75 8.398 -9.625 -1.297 1.00 1.06 O ATOM 0 H ASP A 75 9.632 -6.519 -2.966 1.00 0.56 H new ATOM 0 HA ASP A 75 10.895 -7.687 -0.690 1.00 0.64 H new ATOM 0 HB2 ASP A 75 10.118 -8.463 -3.559 1.00 0.74 H new ATOM 0 HB3 ASP A 75 10.586 -9.654 -2.361 1.00 0.74 H new ATOM 1191 N LYS A 76 12.936 -7.521 -3.120 1.00 0.46 N ATOM 1192 CA LYS A 76 14.394 -7.601 -3.433 1.00 0.37 C ATOM 1193 C LYS A 76 15.127 -6.560 -2.585 1.00 0.30 C ATOM 1194 O LYS A 76 16.215 -6.838 -2.106 1.00 0.23 O ATOM 1195 CB LYS A 76 14.575 -7.375 -4.936 1.00 0.38 C ATOM 1196 CG LYS A 76 16.034 -7.762 -5.374 1.00 0.16 C ATOM 1197 CD LYS A 76 16.367 -9.322 -5.280 1.00 0.52 C ATOM 1198 CE LYS A 76 16.943 -9.746 -3.931 1.00 1.62 C ATOM 1199 NZ LYS A 76 18.040 -8.772 -3.695 1.00 2.48 N ATOM 0 H LYS A 76 12.335 -7.294 -3.912 1.00 0.46 H new ATOM 0 HA LYS A 76 14.814 -8.578 -3.192 1.00 0.37 H new ATOM 0 HB2 LYS A 76 13.851 -7.972 -5.490 1.00 0.38 H new ATOM 0 HB3 LYS A 76 14.380 -6.331 -5.180 1.00 0.38 H new ATOM 0 HG2 LYS A 76 16.190 -7.432 -6.401 1.00 0.16 H new ATOM 0 HG3 LYS A 76 16.743 -7.215 -4.752 1.00 0.16 H new ATOM 0 HD2 LYS A 76 15.457 -9.891 -5.472 1.00 0.52 H new ATOM 0 HD3 LYS A 76 17.077 -9.581 -6.066 1.00 0.52 H new ATOM 0 HE2 LYS A 76 16.191 -9.701 -3.143 1.00 1.62 H new ATOM 0 HE3 LYS A 76 17.316 -10.770 -3.959 1.00 1.62 H new ATOM 0 HZ1 LYS A 76 18.838 -9.253 -3.233 1.00 2.48 H new ATOM 0 HZ2 LYS A 76 18.354 -8.376 -4.604 1.00 2.48 H new ATOM 0 HZ3 LYS A 76 17.697 -8.004 -3.083 1.00 2.48 H new ATOM 1213 N VAL A 77 14.513 -5.408 -2.464 1.00 0.32 N ATOM 1214 CA VAL A 77 15.084 -4.287 -1.658 1.00 0.20 C ATOM 1215 C VAL A 77 15.071 -4.736 -0.211 1.00 0.29 C ATOM 1216 O VAL A 77 16.132 -4.753 0.372 1.00 0.19 O ATOM 1217 CB VAL A 77 14.232 -2.997 -1.773 1.00 0.10 C ATOM 1218 CG1 VAL A 77 14.694 -1.983 -0.679 1.00 0.07 C ATOM 1219 CG2 VAL A 77 14.397 -2.391 -3.167 1.00 0.15 C ATOM 0 H VAL A 77 13.617 -5.194 -2.902 1.00 0.32 H new ATOM 0 HA VAL A 77 16.086 -4.058 -2.022 1.00 0.20 H new ATOM 0 HB VAL A 77 13.179 -3.233 -1.622 1.00 0.10 H new ATOM 0 HG11 VAL A 77 14.100 -1.072 -0.753 1.00 0.07 H new ATOM 0 HG12 VAL A 77 14.559 -2.426 0.308 1.00 0.07 H new ATOM 0 HG13 VAL A 77 15.747 -1.742 -0.827 1.00 0.07 H new ATOM 0 HG21 VAL A 77 13.796 -1.485 -3.243 1.00 0.15 H new ATOM 0 HG22 VAL A 77 15.446 -2.147 -3.336 1.00 0.15 H new ATOM 0 HG23 VAL A 77 14.067 -3.109 -3.917 1.00 0.15 H new ATOM 1229 N GLU A 78 13.932 -5.087 0.352 1.00 0.59 N ATOM 1230 CA GLU A 78 13.916 -5.534 1.778 1.00 0.84 C ATOM 1231 C GLU A 78 15.029 -6.572 1.917 1.00 0.66 C ATOM 1232 O GLU A 78 15.782 -6.518 2.871 1.00 0.61 O ATOM 1233 CB GLU A 78 12.448 -6.036 2.096 1.00 1.28 C ATOM 1234 CG GLU A 78 11.843 -5.256 3.399 1.00 1.67 C ATOM 1235 CD GLU A 78 11.818 -3.705 3.397 1.00 2.15 C ATOM 1236 OE1 GLU A 78 12.600 -3.108 2.684 1.00 2.65 O ATOM 1237 OE2 GLU A 78 11.027 -3.146 4.138 1.00 2.72 O ATOM 0 H GLU A 78 13.024 -5.082 -0.114 1.00 0.59 H new ATOM 0 HA GLU A 78 14.125 -4.759 2.515 1.00 0.84 H new ATOM 0 HB2 GLU A 78 11.805 -5.866 1.233 1.00 1.28 H new ATOM 0 HB3 GLU A 78 12.457 -7.110 2.280 1.00 1.28 H new ATOM 0 HG2 GLU A 78 10.820 -5.602 3.545 1.00 1.67 H new ATOM 0 HG3 GLU A 78 12.415 -5.576 4.270 1.00 1.67 H new ATOM 1244 N GLU A 79 15.147 -7.513 1.017 1.00 0.65 N ATOM 1245 CA GLU A 79 16.275 -8.485 1.170 1.00 0.65 C ATOM 1246 C GLU A 79 17.577 -7.632 1.231 1.00 0.36 C ATOM 1247 O GLU A 79 18.348 -7.763 2.160 1.00 0.32 O ATOM 1248 CB GLU A 79 16.263 -9.435 -0.035 1.00 0.84 C ATOM 1249 CG GLU A 79 15.249 -10.560 0.336 1.00 1.37 C ATOM 1250 CD GLU A 79 15.704 -11.443 1.510 1.00 3.04 C ATOM 1251 OE1 GLU A 79 16.891 -11.536 1.765 1.00 3.63 O ATOM 1252 OE2 GLU A 79 14.855 -12.023 2.152 1.00 4.04 O ATOM 0 H GLU A 79 14.538 -7.651 0.211 1.00 0.65 H new ATOM 0 HA GLU A 79 16.196 -9.097 2.069 1.00 0.65 H new ATOM 0 HB2 GLU A 79 15.958 -8.915 -0.943 1.00 0.84 H new ATOM 0 HB3 GLU A 79 17.255 -9.846 -0.221 1.00 0.84 H new ATOM 0 HG2 GLU A 79 14.291 -10.105 0.586 1.00 1.37 H new ATOM 0 HG3 GLU A 79 15.084 -11.190 -0.538 1.00 1.37 H new ATOM 1259 N LEU A 80 17.840 -6.783 0.269 1.00 0.25 N ATOM 1260 CA LEU A 80 19.097 -5.955 0.360 1.00 0.09 C ATOM 1261 C LEU A 80 19.287 -5.258 1.695 1.00 0.24 C ATOM 1262 O LEU A 80 20.297 -5.394 2.340 1.00 0.22 O ATOM 1263 CB LEU A 80 19.079 -4.903 -0.706 1.00 0.17 C ATOM 1264 CG LEU A 80 19.408 -5.525 -2.012 1.00 0.28 C ATOM 1265 CD1 LEU A 80 19.412 -4.421 -3.035 1.00 0.37 C ATOM 1266 CD2 LEU A 80 20.770 -6.204 -1.867 1.00 0.42 C ATOM 0 H LEU A 80 17.262 -6.625 -0.556 1.00 0.25 H new ATOM 0 HA LEU A 80 19.922 -6.656 0.237 1.00 0.09 H new ATOM 0 HB2 LEU A 80 18.097 -4.431 -0.751 1.00 0.17 H new ATOM 0 HB3 LEU A 80 19.799 -4.119 -0.472 1.00 0.17 H new ATOM 0 HG LEU A 80 18.690 -6.282 -2.328 1.00 0.28 H new ATOM 0 HD11 LEU A 80 19.650 -4.834 -4.015 1.00 0.37 H new ATOM 0 HD12 LEU A 80 18.429 -3.952 -3.068 1.00 0.37 H new ATOM 0 HD13 LEU A 80 20.160 -3.676 -2.764 1.00 0.37 H new ATOM 0 HD21 LEU A 80 21.045 -6.674 -2.811 1.00 0.42 H new ATOM 0 HD22 LEU A 80 21.521 -5.460 -1.600 1.00 0.42 H new ATOM 0 HD23 LEU A 80 20.717 -6.963 -1.086 1.00 0.42 H new ATOM 1278 N LYS A 81 18.288 -4.530 2.031 1.00 0.44 N ATOM 1279 CA LYS A 81 18.203 -3.743 3.283 1.00 0.70 C ATOM 1280 C LYS A 81 18.831 -4.481 4.468 1.00 0.74 C ATOM 1281 O LYS A 81 19.495 -3.919 5.302 1.00 0.83 O ATOM 1282 CB LYS A 81 16.758 -3.517 3.460 1.00 0.88 C ATOM 1283 CG LYS A 81 16.340 -2.847 4.760 1.00 0.94 C ATOM 1284 CD LYS A 81 14.836 -2.669 4.574 1.00 1.17 C ATOM 1285 CE LYS A 81 14.145 -2.072 5.763 1.00 0.84 C ATOM 1286 NZ LYS A 81 12.811 -1.677 5.242 1.00 1.57 N ATOM 0 H LYS A 81 17.458 -4.438 1.446 1.00 0.44 H new ATOM 0 HA LYS A 81 18.761 -2.808 3.230 1.00 0.70 H new ATOM 0 HB2 LYS A 81 16.402 -2.907 2.630 1.00 0.88 H new ATOM 0 HB3 LYS A 81 16.249 -4.478 3.390 1.00 0.88 H new ATOM 0 HG2 LYS A 81 16.571 -3.466 5.627 1.00 0.94 H new ATOM 0 HG3 LYS A 81 16.846 -1.893 4.905 1.00 0.94 H new ATOM 0 HD2 LYS A 81 14.660 -2.034 3.706 1.00 1.17 H new ATOM 0 HD3 LYS A 81 14.389 -3.639 4.355 1.00 1.17 H new ATOM 0 HE2 LYS A 81 14.059 -2.791 6.577 1.00 0.84 H new ATOM 0 HE3 LYS A 81 14.692 -1.213 6.153 1.00 0.84 H new ATOM 0 HZ1 LYS A 81 12.493 -0.811 5.723 1.00 1.57 H new ATOM 0 HZ2 LYS A 81 12.876 -1.501 4.219 1.00 1.57 H new ATOM 0 HZ3 LYS A 81 12.129 -2.442 5.419 1.00 1.57 H new ATOM 1300 N LYS A 82 18.592 -5.759 4.458 1.00 0.71 N ATOM 1301 CA LYS A 82 19.014 -6.754 5.429 1.00 0.75 C ATOM 1302 C LYS A 82 20.416 -7.253 5.144 1.00 0.60 C ATOM 1303 O LYS A 82 21.318 -7.202 5.955 1.00 0.67 O ATOM 1304 CB LYS A 82 17.827 -7.705 5.275 1.00 1.05 C ATOM 1305 CG LYS A 82 18.234 -9.065 5.219 1.00 1.27 C ATOM 1306 CD LYS A 82 16.932 -9.974 5.131 1.00 0.88 C ATOM 1307 CE LYS A 82 17.236 -11.477 4.954 1.00 2.43 C ATOM 1308 NZ LYS A 82 16.015 -12.175 4.412 1.00 3.04 N ATOM 0 H LYS A 82 18.048 -6.181 3.706 1.00 0.71 H new ATOM 0 HA LYS A 82 19.168 -6.464 6.469 1.00 0.75 H new ATOM 0 HB2 LYS A 82 17.142 -7.567 6.111 1.00 1.05 H new ATOM 0 HB3 LYS A 82 17.278 -7.454 4.368 1.00 1.05 H new ATOM 0 HG2 LYS A 82 18.874 -9.234 4.353 1.00 1.27 H new ATOM 0 HG3 LYS A 82 18.818 -9.323 6.102 1.00 1.27 H new ATOM 0 HD2 LYS A 82 16.341 -9.836 6.037 1.00 0.88 H new ATOM 0 HD3 LYS A 82 16.319 -9.635 4.296 1.00 0.88 H new ATOM 0 HE2 LYS A 82 18.077 -11.611 4.274 1.00 2.43 H new ATOM 0 HE3 LYS A 82 17.525 -11.916 5.909 1.00 2.43 H new ATOM 0 HZ1 LYS A 82 16.307 -12.914 3.741 1.00 3.04 H new ATOM 0 HZ2 LYS A 82 15.486 -12.608 5.196 1.00 3.04 H new ATOM 0 HZ3 LYS A 82 15.408 -11.485 3.925 1.00 3.04 H new ATOM 1322 N LYS A 83 20.510 -7.732 3.944 1.00 0.46 N ATOM 1323 CA LYS A 83 21.771 -8.289 3.403 1.00 0.41 C ATOM 1324 C LYS A 83 22.923 -7.360 3.752 1.00 0.25 C ATOM 1325 O LYS A 83 23.926 -7.782 4.287 1.00 0.33 O ATOM 1326 CB LYS A 83 21.616 -8.414 1.913 1.00 0.41 C ATOM 1327 CG LYS A 83 20.731 -9.614 1.522 1.00 0.47 C ATOM 1328 CD LYS A 83 20.216 -9.380 0.072 1.00 0.46 C ATOM 1329 CE LYS A 83 19.705 -10.692 -0.572 1.00 0.45 C ATOM 1330 NZ LYS A 83 18.896 -11.531 0.358 1.00 2.06 N ATOM 0 H LYS A 83 19.730 -7.761 3.288 1.00 0.46 H new ATOM 0 HA LYS A 83 21.984 -9.268 3.832 1.00 0.41 H new ATOM 0 HB2 LYS A 83 21.180 -7.497 1.516 1.00 0.41 H new ATOM 0 HB3 LYS A 83 22.599 -8.524 1.454 1.00 0.41 H new ATOM 0 HG2 LYS A 83 21.300 -10.542 1.579 1.00 0.47 H new ATOM 0 HG3 LYS A 83 19.893 -9.711 2.213 1.00 0.47 H new ATOM 0 HD2 LYS A 83 19.412 -8.644 0.085 1.00 0.46 H new ATOM 0 HD3 LYS A 83 21.019 -8.964 -0.537 1.00 0.46 H new ATOM 0 HE2 LYS A 83 19.103 -10.448 -1.447 1.00 0.45 H new ATOM 0 HE3 LYS A 83 20.558 -11.272 -0.924 1.00 0.45 H new ATOM 0 HZ1 LYS A 83 18.194 -12.073 -0.185 1.00 2.06 H new ATOM 0 HZ2 LYS A 83 19.522 -12.187 0.867 1.00 2.06 H new ATOM 0 HZ3 LYS A 83 18.407 -10.919 1.042 1.00 2.06 H new ATOM 1344 N TYR A 84 22.685 -6.120 3.426 1.00 0.09 N ATOM 1345 CA TYR A 84 23.733 -5.103 3.716 1.00 0.10 C ATOM 1346 C TYR A 84 23.336 -4.375 5.035 1.00 0.16 C ATOM 1347 O TYR A 84 24.284 -4.215 5.781 1.00 0.20 O ATOM 1348 CB TYR A 84 23.874 -4.261 2.351 1.00 0.28 C ATOM 1349 CG TYR A 84 24.133 -5.404 1.335 1.00 0.34 C ATOM 1350 CD1 TYR A 84 25.408 -5.928 1.237 1.00 0.91 C ATOM 1351 CD2 TYR A 84 23.124 -5.979 0.563 1.00 0.95 C ATOM 1352 CE1 TYR A 84 25.670 -6.995 0.405 1.00 0.92 C ATOM 1353 CE2 TYR A 84 23.400 -7.046 -0.261 1.00 1.08 C ATOM 1354 CZ TYR A 84 24.674 -7.559 -0.343 1.00 0.65 C ATOM 1355 OH TYR A 84 24.976 -8.623 -1.166 1.00 0.83 O ATOM 0 H TYR A 84 21.834 -5.773 2.983 1.00 0.09 H new ATOM 0 HA TYR A 84 24.739 -5.458 3.942 1.00 0.10 H new ATOM 0 HB2 TYR A 84 22.971 -3.696 2.118 1.00 0.28 H new ATOM 0 HB3 TYR A 84 24.696 -3.546 2.389 1.00 0.28 H new ATOM 0 HD1 TYR A 84 26.209 -5.496 1.819 1.00 0.91 H new ATOM 0 HD2 TYR A 84 22.120 -5.584 0.612 1.00 0.95 H new ATOM 0 HE1 TYR A 84 26.673 -7.390 0.343 1.00 0.92 H new ATOM 0 HE2 TYR A 84 22.608 -7.485 -0.850 1.00 1.08 H new ATOM 0 HH TYR A 84 24.211 -8.814 -1.748 1.00 0.83 H new ATOM 1365 N GLY A 85 22.130 -3.928 5.386 1.00 0.28 N ATOM 1366 CA GLY A 85 22.024 -3.286 6.780 1.00 0.40 C ATOM 1367 C GLY A 85 21.392 -1.955 7.140 1.00 0.37 C ATOM 1368 O GLY A 85 22.035 -1.124 7.756 1.00 0.49 O ATOM 0 H GLY A 85 21.277 -3.968 4.828 1.00 0.28 H new ATOM 0 HA2 GLY A 85 21.510 -4.023 7.396 1.00 0.40 H new ATOM 0 HA3 GLY A 85 23.049 -3.224 7.146 1.00 0.40 H new ATOM 1372 N ILE A 86 20.163 -1.770 6.776 1.00 0.30 N ATOM 1373 CA ILE A 86 19.428 -0.525 7.065 1.00 0.40 C ATOM 1374 C ILE A 86 18.147 -0.807 7.897 1.00 0.42 C ATOM 1375 O ILE A 86 17.743 -1.958 7.938 1.00 0.69 O ATOM 1376 CB ILE A 86 19.182 0.129 5.646 1.00 0.42 C ATOM 1377 CG1 ILE A 86 17.681 0.370 5.323 1.00 0.22 C ATOM 1378 CG2 ILE A 86 19.761 -0.677 4.492 1.00 0.58 C ATOM 1379 CD1 ILE A 86 17.349 1.863 5.200 1.00 0.30 C ATOM 1380 OXT ILE A 86 17.628 0.150 8.448 1.00 1.11 O ATOM 0 H ILE A 86 19.617 -2.465 6.267 1.00 0.30 H new ATOM 0 HA ILE A 86 19.976 0.172 7.699 1.00 0.40 H new ATOM 0 HB ILE A 86 19.702 1.083 5.729 1.00 0.42 H new ATOM 0 HG12 ILE A 86 17.425 -0.136 4.392 1.00 0.22 H new ATOM 0 HG13 ILE A 86 17.066 -0.074 6.106 1.00 0.22 H new ATOM 0 HG21 ILE A 86 19.553 -0.167 3.551 1.00 0.58 H new ATOM 0 HG22 ILE A 86 20.839 -0.775 4.621 1.00 0.58 H new ATOM 0 HG23 ILE A 86 19.306 -1.667 4.476 1.00 0.58 H new ATOM 0 HD11 ILE A 86 16.289 1.983 4.974 1.00 0.30 H new ATOM 0 HD12 ILE A 86 17.578 2.365 6.140 1.00 0.30 H new ATOM 0 HD13 ILE A 86 17.943 2.303 4.399 1.00 0.30 H new