USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 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 53 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.058) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.344 (180deg=-0.985) USER MOD Single : A 9 SER OG : rot 130:sc= -0.125 USER MOD Single : A 11 GLN : amide:sc= -6.76! C(o=-6.8!,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -4.87! C(o=-9.1!,f=-4.9!) USER MOD Single : A 18 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot -110:sc= -2.48! USER MOD Single : A 26 SER OG : rot 180:sc= -0.0851! USER MOD Single : A 28 GLN :FLIP amide:sc= -0.267 F(o=-0.92,f=-0.27) USER MOD Single : A 31 THR OG1 : rot 128:sc= 1.29 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 101:sc= 0.953 USER MOD Single : A 39 GLN : amide:sc= -0.0277 K(o=-0.028,f=-0.58) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= -0.165 (180deg=-1.23!) USER MOD Single : A 60 MET CE :methyl 165:sc= -12.7! (180deg=-13.7!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0.0052) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0504 (180deg=-0.498) USER MOD Single : A 67 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 74 SER OG : rot 180:sc= -1.61 USER MOD Single : A 82 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 86 SER OG : rot 180:sc= -3.16! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 135:sc= -2.91 (180deg=-5.47!) USER MOD Single : A 100 SER OG : rot 74:sc= -0.38! USER MOD Single : A 105 HIS : no HD1:sc= -7.03! C(o=-7!,f=-11!) USER MOD Single : A 106 TYR OH : rot -3:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -7.172 -9.554 15.573 1.00 1.00 N ATOM 17 CA LYS A 2 -6.650 -8.216 15.795 1.00 1.00 C ATOM 18 C LYS A 2 -5.459 -7.978 14.865 1.00 1.00 C ATOM 19 O LYS A 2 -4.475 -8.714 14.909 1.00 1.00 O ATOM 20 CB LYS A 2 -6.324 -8.008 17.276 1.00 1.00 C ATOM 21 CG LYS A 2 -7.597 -8.029 18.126 1.00 1.00 C ATOM 22 CD LYS A 2 -8.182 -6.623 18.272 1.00 1.00 C ATOM 23 CE LYS A 2 -7.165 -5.668 18.899 1.00 1.00 C ATOM 24 NZ LYS A 2 -6.387 -6.359 19.952 1.00 1.00 N ATOM 0 HA LYS A 2 -7.403 -7.467 15.549 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -5.643 -8.789 17.615 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -5.809 -7.056 17.409 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.334 -8.688 17.667 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -7.374 -8.438 19.111 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.484 -6.248 17.294 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.079 -6.661 18.890 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -6.491 -5.289 18.131 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -7.680 -4.807 19.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -5.959 -5.655 20.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -7.018 -6.979 20.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -5.637 -6.929 19.512 1.00 1.00 H new ATOM 38 N PRO A 3 -5.592 -6.919 14.022 1.00 1.00 N ATOM 39 CA PRO A 3 -4.539 -6.573 13.082 1.00 1.00 C ATOM 40 C PRO A 3 -3.365 -5.902 13.796 1.00 1.00 C ATOM 41 O PRO A 3 -2.211 -6.092 13.415 1.00 1.00 O ATOM 42 CB PRO A 3 -5.206 -5.670 12.058 1.00 1.00 C ATOM 43 CG PRO A 3 -6.483 -5.168 12.714 1.00 1.00 C ATOM 44 CD PRO A 3 -6.744 -6.025 13.942 1.00 1.00 C ATOM 0 HA PRO A 3 -4.104 -7.447 12.598 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.554 -4.840 11.786 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.427 -6.216 11.141 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.381 -4.120 12.995 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.320 -5.232 12.019 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -6.834 -5.413 14.840 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.674 -6.585 13.844 1.00 1.00 H new ATOM 52 N ALA A 4 -3.699 -5.130 14.820 1.00 1.00 N ATOM 53 CA ALA A 4 -2.686 -4.429 15.591 1.00 1.00 C ATOM 54 C ALA A 4 -3.344 -3.288 16.371 1.00 1.00 C ATOM 55 O ALA A 4 -4.032 -3.525 17.362 1.00 1.00 O ATOM 56 CB ALA A 4 -1.583 -3.935 14.655 1.00 1.00 C ATOM 0 H ALA A 4 -4.657 -4.975 15.134 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.223 -5.099 16.315 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.823 -3.409 15.233 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.128 -4.786 14.147 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -2.010 -3.257 13.916 1.00 1.00 H new ATOM 62 N ALA A 5 -3.109 -2.076 15.893 1.00 1.00 N ATOM 63 CA ALA A 5 -3.671 -0.898 16.532 1.00 1.00 C ATOM 64 C ALA A 5 -2.897 0.342 16.077 1.00 1.00 C ATOM 65 O ALA A 5 -3.444 1.443 16.045 1.00 1.00 O ATOM 66 CB ALA A 5 -3.641 -1.078 18.051 1.00 1.00 C ATOM 0 H ALA A 5 -2.537 -1.883 15.071 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.712 -0.763 16.240 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.062 -0.195 18.530 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.228 -1.955 18.325 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.611 -1.213 18.381 1.00 1.00 H new ATOM 72 N CYS A 6 -1.636 0.121 15.737 1.00 1.00 N ATOM 73 CA CYS A 6 -0.781 1.205 15.285 1.00 1.00 C ATOM 74 C CYS A 6 -1.267 1.658 13.907 1.00 1.00 C ATOM 75 O CYS A 6 -0.745 2.620 13.346 1.00 1.00 O ATOM 76 CB CYS A 6 0.692 0.793 15.263 1.00 1.00 C ATOM 77 SG CYS A 6 1.407 0.413 16.904 1.00 1.00 S ATOM 0 H CYS A 6 -1.185 -0.794 15.766 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.847 2.038 15.985 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.800 -0.083 14.623 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.272 1.595 14.806 1.00 1.00 H new ATOM 82 N ARG A 7 -2.262 0.944 13.401 1.00 1.00 N ATOM 83 CA ARG A 7 -2.825 1.261 12.100 1.00 1.00 C ATOM 84 C ARG A 7 -4.322 1.550 12.225 1.00 1.00 C ATOM 85 O ARG A 7 -5.046 1.531 11.231 1.00 1.00 O ATOM 86 CB ARG A 7 -2.615 0.109 11.114 1.00 1.00 C ATOM 87 CG ARG A 7 -2.649 -1.241 11.833 1.00 1.00 C ATOM 88 CD ARG A 7 -1.848 -2.293 11.064 1.00 1.00 C ATOM 89 NE ARG A 7 -0.870 -2.943 11.964 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.244 -4.095 11.688 1.00 1.00 C ATOM 91 NH1 ARG A 7 -0.490 -4.730 10.534 1.00 1.00 N ATOM 92 NH2 ARG A 7 0.628 -4.611 12.564 1.00 1.00 N ATOM 0 H ARG A 7 -2.693 0.147 13.869 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.312 2.146 11.723 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.389 0.136 10.347 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.658 0.230 10.606 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -2.242 -1.132 12.838 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.681 -1.573 11.942 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -2.522 -3.040 10.645 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.329 -1.826 10.226 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.659 -2.485 12.851 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -1.153 -4.336 9.867 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -0.014 -5.607 10.323 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.816 -4.127 13.442 1.00 1.00 H new ATOM 0 HH22 ARG A 7 1.104 -5.488 12.353 1.00 1.00 H new ATOM 106 N CYS A 8 -4.741 1.811 13.454 1.00 1.00 N ATOM 107 CA CYS A 8 -6.139 2.104 13.722 1.00 1.00 C ATOM 108 C CYS A 8 -6.208 3.355 14.601 1.00 1.00 C ATOM 109 O CYS A 8 -7.046 4.227 14.379 1.00 1.00 O ATOM 110 CB CYS A 8 -6.853 0.914 14.366 1.00 1.00 C ATOM 111 SG CYS A 8 -6.200 -0.726 13.882 1.00 1.00 S ATOM 0 H CYS A 8 -4.137 1.826 14.276 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.660 2.292 12.783 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.786 1.011 15.450 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.911 0.959 14.107 1.00 1.00 H new ATOM 116 N SER A 9 -5.316 3.402 15.578 1.00 1.00 N ATOM 117 CA SER A 9 -5.265 4.531 16.492 1.00 1.00 C ATOM 118 C SER A 9 -4.282 5.581 15.969 1.00 1.00 C ATOM 119 O SER A 9 -4.350 6.747 16.358 1.00 1.00 O ATOM 120 CB SER A 9 -4.865 4.085 17.899 1.00 1.00 C ATOM 121 OG SER A 9 -3.455 3.940 18.033 1.00 1.00 O ATOM 0 H SER A 9 -4.622 2.676 15.758 1.00 1.00 H new ATOM 0 HA SER A 9 -6.261 4.969 16.550 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.225 4.813 18.626 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.350 3.137 18.130 1.00 1.00 H new ATOM 0 HG SER A 9 -3.151 4.422 18.830 1.00 1.00 H new ATOM 127 N ARG A 10 -3.392 5.132 15.097 1.00 1.00 N ATOM 128 CA ARG A 10 -2.397 6.018 14.519 1.00 1.00 C ATOM 129 C ARG A 10 -2.926 6.636 13.223 1.00 1.00 C ATOM 130 O ARG A 10 -2.458 7.691 12.798 1.00 1.00 O ATOM 131 CB ARG A 10 -1.095 5.269 14.225 1.00 1.00 C ATOM 132 CG ARG A 10 0.113 6.039 14.759 1.00 1.00 C ATOM 133 CD ARG A 10 1.421 5.354 14.358 1.00 1.00 C ATOM 134 NE ARG A 10 2.564 6.265 14.592 1.00 1.00 N ATOM 135 CZ ARG A 10 3.817 6.015 14.194 1.00 1.00 C ATOM 136 NH1 ARG A 10 4.099 4.880 13.540 1.00 1.00 N ATOM 137 NH2 ARG A 10 4.791 6.900 14.449 1.00 1.00 N ATOM 0 H ARG A 10 -3.339 4.165 14.776 1.00 1.00 H new ATOM 0 HA ARG A 10 -2.193 6.805 15.245 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.130 4.279 14.680 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.991 5.122 13.150 1.00 1.00 H new ATOM 0 HG2 ARG A 10 0.099 7.058 14.373 1.00 1.00 H new ATOM 0 HG3 ARG A 10 0.053 6.109 15.845 1.00 1.00 H new ATOM 0 HD2 ARG A 10 1.552 4.438 14.934 1.00 1.00 H new ATOM 0 HD3 ARG A 10 1.383 5.067 13.307 1.00 1.00 H new ATOM 0 HE ARG A 10 2.385 7.138 15.088 1.00 1.00 H new ATOM 0 HH11 ARG A 10 3.358 4.206 13.345 1.00 1.00 H new ATOM 0 HH12 ARG A 10 5.054 4.690 13.237 1.00 1.00 H new ATOM 0 HH21 ARG A 10 4.577 7.764 14.947 1.00 1.00 H new ATOM 0 HH22 ARG A 10 5.746 6.709 14.145 1.00 1.00 H new ATOM 151 N GLN A 11 -3.894 5.952 12.631 1.00 1.00 N ATOM 152 CA GLN A 11 -4.492 6.420 11.392 1.00 1.00 C ATOM 153 C GLN A 11 -4.828 7.910 11.494 1.00 1.00 C ATOM 154 O GLN A 11 -4.780 8.487 12.580 1.00 1.00 O ATOM 155 CB GLN A 11 -5.734 5.601 11.039 1.00 1.00 C ATOM 156 CG GLN A 11 -5.376 4.130 10.818 1.00 1.00 C ATOM 157 CD GLN A 11 -6.021 3.595 9.538 1.00 1.00 C ATOM 158 OE1 GLN A 11 -5.867 4.143 8.459 1.00 1.00 O ATOM 159 NE2 GLN A 11 -6.749 2.497 9.716 1.00 1.00 N ATOM 0 H GLN A 11 -4.279 5.077 12.986 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.768 6.285 10.588 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.468 5.684 11.840 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -6.197 6.006 10.139 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.293 4.021 10.757 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.708 3.539 11.671 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -6.837 2.089 10.647 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.220 2.063 8.922 1.00 1.00 H new ATOM 168 N ASP A 12 -5.160 8.489 10.350 1.00 1.00 N ATOM 169 CA ASP A 12 -5.504 9.899 10.297 1.00 1.00 C ATOM 170 C ASP A 12 -7.014 10.059 10.489 1.00 1.00 C ATOM 171 O ASP A 12 -7.792 9.215 10.047 1.00 1.00 O ATOM 172 CB ASP A 12 -5.132 10.507 8.943 1.00 1.00 C ATOM 173 CG ASP A 12 -5.493 11.983 8.776 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.703 12.286 8.861 1.00 1.00 O ATOM 175 OD2 ASP A 12 -4.551 12.778 8.568 1.00 1.00 O ATOM 0 H ASP A 12 -5.198 8.007 9.452 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.952 10.410 11.085 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.059 10.392 8.793 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -5.627 9.936 8.157 1.00 1.00 H new ATOM 180 N PRO A 13 -7.392 11.177 11.164 1.00 1.00 N ATOM 181 CA PRO A 13 -8.795 11.458 11.420 1.00 1.00 C ATOM 182 C PRO A 13 -9.496 11.947 10.151 1.00 1.00 C ATOM 183 O PRO A 13 -9.607 13.150 9.922 1.00 1.00 O ATOM 184 CB PRO A 13 -8.792 12.494 12.533 1.00 1.00 C ATOM 185 CG PRO A 13 -7.396 13.096 12.539 1.00 1.00 C ATOM 186 CD PRO A 13 -6.498 12.198 11.701 1.00 1.00 C ATOM 0 HA PRO A 13 -9.354 10.572 11.720 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -9.547 13.260 12.355 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -9.024 12.035 13.494 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.414 14.106 12.130 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -7.017 13.171 13.558 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -6.012 12.758 10.902 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -5.707 11.754 12.306 1.00 1.00 H new ATOM 194 N LYS A 14 -9.950 10.988 9.358 1.00 1.00 N ATOM 195 CA LYS A 14 -10.637 11.305 8.117 1.00 1.00 C ATOM 196 C LYS A 14 -9.731 10.957 6.934 1.00 1.00 C ATOM 197 O LYS A 14 -9.071 11.831 6.376 1.00 1.00 O ATOM 198 CB LYS A 14 -11.109 12.760 8.124 1.00 1.00 C ATOM 199 CG LYS A 14 -12.147 13.005 7.025 1.00 1.00 C ATOM 200 CD LYS A 14 -12.979 14.253 7.326 1.00 1.00 C ATOM 201 CE LYS A 14 -13.735 14.103 8.647 1.00 1.00 C ATOM 202 NZ LYS A 14 -15.039 14.803 8.581 1.00 1.00 N ATOM 0 H LYS A 14 -9.856 9.991 9.550 1.00 1.00 H new ATOM 0 HA LYS A 14 -11.539 10.702 8.015 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -11.539 13.002 9.096 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.256 13.423 7.979 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -11.645 13.121 6.065 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -12.803 12.138 6.939 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.328 15.126 7.373 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -13.687 14.427 6.516 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -13.893 13.047 8.864 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -13.138 14.510 9.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -15.539 14.691 9.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -14.881 15.814 8.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -15.613 14.396 7.815 1.00 1.00 H new ATOM 216 N ASN A 15 -9.731 9.679 6.587 1.00 1.00 N ATOM 217 CA ASN A 15 -8.916 9.204 5.480 1.00 1.00 C ATOM 218 C ASN A 15 -9.427 7.835 5.028 1.00 1.00 C ATOM 219 O ASN A 15 -9.498 7.559 3.831 1.00 1.00 O ATOM 220 CB ASN A 15 -7.453 9.049 5.900 1.00 1.00 C ATOM 221 CG ASN A 15 -6.660 10.322 5.604 1.00 1.00 C ATOM 222 OD1 ASN A 15 -6.694 11.222 6.582 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -6.055 10.478 4.555 1.00 1.00 N flip ATOM 0 H ASN A 15 -10.282 8.957 7.052 1.00 1.00 H new ATOM 0 HA ASN A 15 -8.983 9.934 4.673 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.399 8.822 6.965 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.006 8.207 5.371 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -6.070 9.747 3.844 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -5.535 11.340 4.389 1.00 1.00 H new ATOM 230 N ARG A 16 -9.768 7.012 6.009 1.00 1.00 N ATOM 231 CA ARG A 16 -10.270 5.678 5.726 1.00 1.00 C ATOM 232 C ARG A 16 -11.507 5.755 4.829 1.00 1.00 C ATOM 233 O ARG A 16 -11.938 6.844 4.452 1.00 1.00 O ATOM 234 CB ARG A 16 -10.629 4.940 7.018 1.00 1.00 C ATOM 235 CG ARG A 16 -9.389 4.717 7.886 1.00 1.00 C ATOM 236 CD ARG A 16 -8.239 4.137 7.059 1.00 1.00 C ATOM 237 NE ARG A 16 -7.299 5.214 6.675 1.00 1.00 N ATOM 238 CZ ARG A 16 -6.272 5.048 5.832 1.00 1.00 C ATOM 239 NH1 ARG A 16 -6.046 3.849 5.276 1.00 1.00 N ATOM 240 NH2 ARG A 16 -5.469 6.081 5.542 1.00 1.00 N ATOM 0 H ARG A 16 -9.707 7.243 7.001 1.00 1.00 H new ATOM 0 HA ARG A 16 -9.481 5.128 5.214 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.369 5.515 7.575 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -11.086 3.980 6.778 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -9.080 5.661 8.334 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -9.631 4.040 8.705 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -7.715 3.374 7.634 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -8.631 3.650 6.166 1.00 1.00 H new ATOM 0 HE ARG A 16 -7.442 6.140 7.078 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -6.657 3.062 5.495 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -5.263 3.724 4.634 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -5.640 6.994 5.963 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -4.687 5.954 4.900 1.00 1.00 H new ATOM 254 N VAL A 17 -12.044 4.586 4.515 1.00 1.00 N ATOM 255 CA VAL A 17 -13.223 4.507 3.670 1.00 1.00 C ATOM 256 C VAL A 17 -14.174 3.444 4.226 1.00 1.00 C ATOM 257 O VAL A 17 -14.884 2.784 3.469 1.00 1.00 O ATOM 258 CB VAL A 17 -12.811 4.242 2.220 1.00 1.00 C ATOM 259 CG1 VAL A 17 -13.827 4.838 1.244 1.00 1.00 C ATOM 260 CG2 VAL A 17 -11.405 4.776 1.944 1.00 1.00 C ATOM 0 H VAL A 17 -11.684 3.685 4.831 1.00 1.00 H new ATOM 0 HA VAL A 17 -13.759 5.456 3.673 1.00 1.00 H new ATOM 0 HB VAL A 17 -12.795 3.163 2.068 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -13.511 4.636 0.221 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -14.805 4.388 1.417 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -13.891 5.915 1.398 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -11.137 4.575 0.907 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -11.382 5.851 2.123 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.692 4.283 2.605 1.00 1.00 H new ATOM 270 N ASN A 18 -14.156 3.312 5.543 1.00 1.00 N ATOM 271 CA ASN A 18 -15.008 2.341 6.210 1.00 1.00 C ATOM 272 C ASN A 18 -14.651 0.935 5.719 1.00 1.00 C ATOM 273 O ASN A 18 -14.357 0.740 4.542 1.00 1.00 O ATOM 274 CB ASN A 18 -16.483 2.591 5.891 1.00 1.00 C ATOM 275 CG ASN A 18 -17.289 2.823 7.171 1.00 1.00 C ATOM 276 OD1 ASN A 18 -16.815 2.627 8.277 1.00 1.00 O ATOM 277 ND2 ASN A 18 -18.530 3.251 6.958 1.00 1.00 N ATOM 0 H ASN A 18 -13.565 3.861 6.167 1.00 1.00 H new ATOM 0 HA ASN A 18 -14.850 2.435 7.284 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.575 3.458 5.237 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.891 1.738 5.349 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -19.148 3.436 7.748 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -18.863 3.394 6.005 1.00 1.00 H new ATOM 284 N CYS A 19 -14.689 -0.007 6.650 1.00 1.00 N ATOM 285 CA CYS A 19 -14.373 -1.388 6.328 1.00 1.00 C ATOM 286 C CYS A 19 -15.333 -2.293 7.102 1.00 1.00 C ATOM 287 O CYS A 19 -14.902 -3.109 7.916 1.00 1.00 O ATOM 288 CB CYS A 19 -12.910 -1.719 6.629 1.00 1.00 C ATOM 289 SG CYS A 19 -12.367 -3.376 6.072 1.00 1.00 S ATOM 0 H CYS A 19 -14.934 0.159 7.626 1.00 1.00 H new ATOM 0 HA CYS A 19 -14.502 -1.553 5.258 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -12.278 -0.967 6.157 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.749 -1.642 7.704 1.00 1.00 H new ATOM 294 N GLY A 20 -16.616 -2.120 6.821 1.00 1.00 N ATOM 295 CA GLY A 20 -17.641 -2.912 7.481 1.00 1.00 C ATOM 296 C GLY A 20 -19.034 -2.338 7.213 1.00 1.00 C ATOM 297 O GLY A 20 -19.278 -1.757 6.155 1.00 1.00 O ATOM 0 H GLY A 20 -16.970 -1.443 6.145 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.594 -3.942 7.127 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.453 -2.935 8.554 1.00 1.00 H new ATOM 301 N PHE A 21 -19.912 -2.519 8.188 1.00 1.00 N ATOM 302 CA PHE A 21 -21.273 -2.026 8.071 1.00 1.00 C ATOM 303 C PHE A 21 -21.667 -1.205 9.301 1.00 1.00 C ATOM 304 O PHE A 21 -20.997 -1.262 10.330 1.00 1.00 O ATOM 305 CB PHE A 21 -22.185 -3.252 7.978 1.00 1.00 C ATOM 306 CG PHE A 21 -21.792 -4.393 8.918 1.00 1.00 C ATOM 307 CD1 PHE A 21 -20.655 -5.102 8.689 1.00 1.00 C ATOM 308 CD2 PHE A 21 -22.581 -4.699 9.983 1.00 1.00 C ATOM 309 CE1 PHE A 21 -20.289 -6.161 9.562 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.216 -5.759 10.855 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.079 -6.467 10.626 1.00 1.00 C ATOM 0 H PHE A 21 -19.707 -3.001 9.063 1.00 1.00 H new ATOM 0 HA PHE A 21 -21.362 -1.384 7.195 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -23.208 -2.949 8.200 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -22.177 -3.621 6.952 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -20.029 -4.860 7.843 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.485 -4.136 10.165 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -19.384 -6.723 9.381 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.842 -6.002 11.700 1.00 1.00 H new ATOM 0 HZ PHE A 21 -20.802 -7.273 11.289 1.00 1.00 H new ATOM 321 N PRO A 22 -22.782 -0.440 9.148 1.00 1.00 N ATOM 322 CA PRO A 22 -23.273 0.392 10.233 1.00 1.00 C ATOM 323 C PRO A 22 -23.959 -0.456 11.306 1.00 1.00 C ATOM 324 O PRO A 22 -25.057 -0.966 11.091 1.00 1.00 O ATOM 325 CB PRO A 22 -24.213 1.387 9.572 1.00 1.00 C ATOM 326 CG PRO A 22 -24.572 0.786 8.222 1.00 1.00 C ATOM 327 CD PRO A 22 -23.601 -0.348 7.942 1.00 1.00 C ATOM 0 HA PRO A 22 -22.473 0.911 10.761 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -25.104 1.545 10.179 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.733 2.358 9.452 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -25.598 0.417 8.229 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -24.511 1.542 7.439 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -24.128 -1.282 7.749 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -22.991 -0.139 7.064 1.00 1.00 H new ATOM 335 N GLY A 23 -23.283 -0.580 12.439 1.00 1.00 N ATOM 336 CA GLY A 23 -23.813 -1.357 13.546 1.00 1.00 C ATOM 337 C GLY A 23 -22.890 -2.528 13.886 1.00 1.00 C ATOM 338 O GLY A 23 -23.075 -3.194 14.904 1.00 1.00 O ATOM 0 H GLY A 23 -22.372 -0.155 12.614 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.931 -0.717 14.420 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.804 -1.733 13.290 1.00 1.00 H new ATOM 342 N ILE A 24 -21.915 -2.743 13.016 1.00 1.00 N ATOM 343 CA ILE A 24 -20.962 -3.823 13.211 1.00 1.00 C ATOM 344 C ILE A 24 -20.536 -3.863 14.680 1.00 1.00 C ATOM 345 O ILE A 24 -20.783 -2.916 15.427 1.00 1.00 O ATOM 346 CB ILE A 24 -19.791 -3.687 12.235 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.710 -4.730 12.529 1.00 1.00 C ATOM 348 CG2 ILE A 24 -19.232 -2.264 12.245 1.00 1.00 C ATOM 349 CD1 ILE A 24 -17.584 -4.656 11.497 1.00 1.00 C ATOM 0 H ILE A 24 -21.764 -2.188 12.174 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.425 -4.784 12.986 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.160 -3.880 11.228 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.304 -4.567 13.528 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.150 -5.727 12.522 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -18.401 -2.195 11.543 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -20.014 -1.564 11.952 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.882 -2.018 13.247 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -16.829 -5.407 11.728 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -17.989 -4.843 10.502 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.130 -3.665 11.524 1.00 1.00 H new ATOM 361 N THR A 25 -19.906 -4.967 15.052 1.00 1.00 N ATOM 362 CA THR A 25 -19.444 -5.142 16.418 1.00 1.00 C ATOM 363 C THR A 25 -17.916 -5.186 16.462 1.00 1.00 C ATOM 364 O THR A 25 -17.295 -6.005 15.786 1.00 1.00 O ATOM 365 CB THR A 25 -20.106 -6.400 16.983 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.554 -7.460 16.206 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.605 -6.459 16.683 1.00 1.00 C ATOM 0 H THR A 25 -19.704 -5.750 14.430 1.00 1.00 H new ATOM 0 HA THR A 25 -19.731 -4.298 17.045 1.00 1.00 H new ATOM 0 HB THR A 25 -19.951 -6.439 18.061 1.00 1.00 H new ATOM 0 HG1 THR A 25 -20.246 -7.830 15.619 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.025 -7.371 17.106 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.099 -5.593 17.125 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.761 -6.454 15.604 1.00 1.00 H new ATOM 375 N SER A 26 -17.353 -4.296 17.267 1.00 1.00 N ATOM 376 CA SER A 26 -15.908 -4.224 17.409 1.00 1.00 C ATOM 377 C SER A 26 -15.277 -5.561 17.021 1.00 1.00 C ATOM 378 O SER A 26 -14.635 -5.669 15.976 1.00 1.00 O ATOM 379 CB SER A 26 -15.514 -3.845 18.837 1.00 1.00 C ATOM 380 OG SER A 26 -15.803 -4.887 19.766 1.00 1.00 O ATOM 0 H SER A 26 -17.871 -3.619 17.827 1.00 1.00 H new ATOM 0 HA SER A 26 -15.537 -3.447 16.740 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.449 -3.615 18.870 1.00 1.00 H new ATOM 0 HB3 SER A 26 -16.045 -2.940 19.131 1.00 1.00 H new ATOM 0 HG SER A 26 -15.535 -4.606 20.666 1.00 1.00 H new ATOM 386 N ASP A 27 -15.480 -6.548 17.882 1.00 1.00 N ATOM 387 CA ASP A 27 -14.938 -7.874 17.641 1.00 1.00 C ATOM 388 C ASP A 27 -15.023 -8.192 16.147 1.00 1.00 C ATOM 389 O ASP A 27 -14.005 -8.225 15.458 1.00 1.00 O ATOM 390 CB ASP A 27 -15.734 -8.939 18.398 1.00 1.00 C ATOM 391 CG ASP A 27 -15.554 -8.926 19.916 1.00 1.00 C ATOM 392 OD1 ASP A 27 -14.565 -8.306 20.365 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.410 -9.534 20.596 1.00 1.00 O ATOM 0 H ASP A 27 -16.012 -6.455 18.747 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.904 -7.884 17.985 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.792 -8.808 18.172 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -15.447 -9.921 18.022 1.00 1.00 H new ATOM 398 N GLN A 28 -16.246 -8.419 15.691 1.00 1.00 N ATOM 399 CA GLN A 28 -16.476 -8.732 14.291 1.00 1.00 C ATOM 400 C GLN A 28 -15.702 -7.765 13.395 1.00 1.00 C ATOM 401 O GLN A 28 -15.320 -8.116 12.280 1.00 1.00 O ATOM 402 CB GLN A 28 -17.970 -8.708 13.963 1.00 1.00 C ATOM 403 CG GLN A 28 -18.739 -9.706 14.831 1.00 1.00 C ATOM 404 CD GLN A 28 -18.187 -11.122 14.660 1.00 1.00 C ATOM 405 OE1 GLN A 28 -17.207 -11.426 15.506 1.00 1.00 O flip ATOM 406 NE2 GLN A 28 -18.620 -11.888 13.816 1.00 1.00 N flip ATOM 0 H GLN A 28 -17.088 -8.392 16.266 1.00 1.00 H new ATOM 0 HA GLN A 28 -16.111 -9.741 14.100 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -18.364 -7.704 14.121 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -18.118 -8.947 12.910 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -18.672 -9.410 15.878 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -19.795 -9.689 14.562 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -19.375 -11.591 13.197 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -18.228 -12.825 13.729 1.00 1.00 H new ATOM 415 N CYS A 29 -15.492 -6.565 13.917 1.00 1.00 N ATOM 416 CA CYS A 29 -14.769 -5.543 13.179 1.00 1.00 C ATOM 417 C CYS A 29 -13.270 -5.798 13.348 1.00 1.00 C ATOM 418 O CYS A 29 -12.484 -5.526 12.441 1.00 1.00 O ATOM 419 CB CYS A 29 -15.164 -4.135 13.628 1.00 1.00 C ATOM 420 SG CYS A 29 -14.635 -2.793 12.500 1.00 1.00 S ATOM 0 H CYS A 29 -15.810 -6.278 14.843 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.029 -5.602 12.122 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.248 -4.094 13.736 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.738 -3.951 14.614 1.00 1.00 H new ATOM 425 N PHE A 30 -12.919 -6.317 14.515 1.00 1.00 N ATOM 426 CA PHE A 30 -11.528 -6.611 14.814 1.00 1.00 C ATOM 427 C PHE A 30 -11.172 -8.045 14.416 1.00 1.00 C ATOM 428 O PHE A 30 -10.380 -8.701 15.089 1.00 1.00 O ATOM 429 CB PHE A 30 -11.353 -6.457 16.326 1.00 1.00 C ATOM 430 CG PHE A 30 -11.174 -5.009 16.787 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.458 -4.137 16.026 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.727 -4.594 17.958 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.291 -2.793 16.455 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.561 -3.250 18.386 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.846 -2.378 17.625 1.00 1.00 C ATOM 0 H PHE A 30 -13.573 -6.541 15.265 1.00 1.00 H new ATOM 0 HA PHE A 30 -10.878 -5.936 14.258 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.222 -6.882 16.827 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.487 -7.038 16.642 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -10.017 -4.466 15.097 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.293 -5.287 18.563 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -9.723 -2.100 15.852 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.002 -2.920 19.315 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.719 -1.356 17.950 1.00 1.00 H new ATOM 445 N THR A 31 -11.777 -8.488 13.324 1.00 1.00 N ATOM 446 CA THR A 31 -11.535 -9.833 12.828 1.00 1.00 C ATOM 447 C THR A 31 -10.126 -9.937 12.239 1.00 1.00 C ATOM 448 O THR A 31 -9.814 -10.897 11.534 1.00 1.00 O ATOM 449 CB THR A 31 -12.639 -10.173 11.826 1.00 1.00 C ATOM 450 OG1 THR A 31 -13.824 -10.212 12.616 1.00 1.00 O ATOM 451 CG2 THR A 31 -12.512 -11.595 11.275 1.00 1.00 C ATOM 0 H THR A 31 -12.434 -7.940 12.769 1.00 1.00 H new ATOM 0 HA THR A 31 -11.572 -10.565 13.634 1.00 1.00 H new ATOM 0 HB THR A 31 -12.613 -9.461 11.002 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.505 -9.633 12.213 1.00 1.00 H new ATOM 0 HG21 THR A 31 -13.320 -11.785 10.569 1.00 1.00 H new ATOM 0 HG22 THR A 31 -11.553 -11.704 10.768 1.00 1.00 H new ATOM 0 HG23 THR A 31 -12.572 -12.310 12.096 1.00 1.00 H new ATOM 459 N SER A 32 -9.314 -8.939 12.549 1.00 1.00 N ATOM 460 CA SER A 32 -7.946 -8.906 12.059 1.00 1.00 C ATOM 461 C SER A 32 -7.921 -8.419 10.609 1.00 1.00 C ATOM 462 O SER A 32 -6.852 -8.217 10.037 1.00 1.00 O ATOM 463 CB SER A 32 -7.290 -10.284 12.167 1.00 1.00 C ATOM 464 OG SER A 32 -5.916 -10.194 12.537 1.00 1.00 O ATOM 0 H SER A 32 -9.576 -8.146 13.134 1.00 1.00 H new ATOM 0 HA SER A 32 -7.377 -8.212 12.678 1.00 1.00 H new ATOM 0 HB2 SER A 32 -7.825 -10.884 12.903 1.00 1.00 H new ATOM 0 HB3 SER A 32 -7.375 -10.802 11.212 1.00 1.00 H new ATOM 0 HG SER A 32 -5.534 -11.094 12.597 1.00 1.00 H new ATOM 470 N GLY A 33 -9.113 -8.244 10.057 1.00 1.00 N ATOM 471 CA GLY A 33 -9.241 -7.785 8.684 1.00 1.00 C ATOM 472 C GLY A 33 -9.442 -6.269 8.630 1.00 1.00 C ATOM 473 O GLY A 33 -8.873 -5.594 7.773 1.00 1.00 O ATOM 0 H GLY A 33 -9.998 -8.412 10.535 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -8.348 -8.058 8.121 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.084 -8.285 8.207 1.00 1.00 H new ATOM 477 N CYS A 34 -10.251 -5.778 9.557 1.00 1.00 N ATOM 478 CA CYS A 34 -10.533 -4.355 9.625 1.00 1.00 C ATOM 479 C CYS A 34 -10.312 -3.890 11.066 1.00 1.00 C ATOM 480 O CYS A 34 -10.031 -4.701 11.948 1.00 1.00 O ATOM 481 CB CYS A 34 -11.945 -4.033 9.133 1.00 1.00 C ATOM 482 SG CYS A 34 -12.359 -4.720 7.487 1.00 1.00 S ATOM 0 H CYS A 34 -10.720 -6.340 10.267 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.856 -3.816 8.962 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.663 -4.411 9.860 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -12.065 -2.950 9.100 1.00 1.00 H new ATOM 487 N CYS A 35 -10.448 -2.587 11.262 1.00 1.00 N ATOM 488 CA CYS A 35 -10.267 -2.004 12.581 1.00 1.00 C ATOM 489 C CYS A 35 -11.577 -1.330 12.993 1.00 1.00 C ATOM 490 O CYS A 35 -12.479 -1.165 12.172 1.00 1.00 O ATOM 491 CB CYS A 35 -9.089 -1.029 12.612 1.00 1.00 C ATOM 492 SG CYS A 35 -7.466 -1.797 12.963 1.00 1.00 S ATOM 0 H CYS A 35 -10.682 -1.918 10.529 1.00 1.00 H new ATOM 0 HA CYS A 35 -10.023 -2.789 13.297 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -9.033 -0.518 11.651 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -9.286 -0.268 13.367 1.00 1.00 H new ATOM 497 N PHE A 36 -11.642 -0.959 14.263 1.00 1.00 N ATOM 498 CA PHE A 36 -12.827 -0.306 14.793 1.00 1.00 C ATOM 499 C PHE A 36 -12.447 0.821 15.756 1.00 1.00 C ATOM 500 O PHE A 36 -12.214 0.578 16.939 1.00 1.00 O ATOM 501 CB PHE A 36 -13.618 -1.369 15.557 1.00 1.00 C ATOM 502 CG PHE A 36 -14.916 -0.850 16.181 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.752 -0.062 15.455 1.00 1.00 C ATOM 504 CD2 PHE A 36 -15.231 -1.177 17.463 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.955 0.420 16.034 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.435 -0.696 18.042 1.00 1.00 C ATOM 507 CZ PHE A 36 -17.272 0.093 17.316 1.00 1.00 C ATOM 0 H PHE A 36 -10.893 -1.098 14.941 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.409 0.128 13.980 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.855 -2.188 14.878 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.987 -1.780 16.345 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.501 0.198 14.437 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -14.566 -1.802 18.040 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -17.619 1.046 15.457 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -16.686 -0.957 19.059 1.00 1.00 H new ATOM 0 HZ PHE A 36 -18.187 0.460 17.757 1.00 1.00 H new ATOM 517 N ASP A 37 -12.397 2.028 15.213 1.00 1.00 N ATOM 518 CA ASP A 37 -12.050 3.193 16.010 1.00 1.00 C ATOM 519 C ASP A 37 -13.190 4.212 15.938 1.00 1.00 C ATOM 520 O ASP A 37 -13.191 5.088 15.075 1.00 1.00 O ATOM 521 CB ASP A 37 -10.782 3.864 15.480 1.00 1.00 C ATOM 522 CG ASP A 37 -10.457 5.219 16.110 1.00 1.00 C ATOM 523 OD1 ASP A 37 -10.296 5.246 17.349 1.00 1.00 O ATOM 524 OD2 ASP A 37 -10.376 6.200 15.338 1.00 1.00 O ATOM 0 H ASP A 37 -12.591 2.225 14.231 1.00 1.00 H new ATOM 0 HA ASP A 37 -11.882 2.863 17.035 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -9.939 3.193 15.643 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.882 3.996 14.403 1.00 1.00 H new ATOM 529 N SER A 38 -14.133 4.062 16.858 1.00 1.00 N ATOM 530 CA SER A 38 -15.275 4.959 16.910 1.00 1.00 C ATOM 531 C SER A 38 -14.918 6.215 17.706 1.00 1.00 C ATOM 532 O SER A 38 -15.668 7.191 17.702 1.00 1.00 O ATOM 533 CB SER A 38 -16.491 4.266 17.528 1.00 1.00 C ATOM 534 OG SER A 38 -17.576 5.168 17.726 1.00 1.00 O ATOM 0 H SER A 38 -14.129 3.334 17.572 1.00 1.00 H new ATOM 0 HA SER A 38 -15.533 5.245 15.890 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.811 3.450 16.880 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.209 3.823 18.483 1.00 1.00 H new ATOM 0 HG SER A 38 -18.237 5.047 17.012 1.00 1.00 H new ATOM 540 N GLN A 39 -13.774 6.150 18.372 1.00 1.00 N ATOM 541 CA GLN A 39 -13.310 7.271 19.171 1.00 1.00 C ATOM 542 C GLN A 39 -13.343 8.561 18.349 1.00 1.00 C ATOM 543 O GLN A 39 -13.236 9.655 18.899 1.00 1.00 O ATOM 544 CB GLN A 39 -11.907 7.008 19.721 1.00 1.00 C ATOM 545 CG GLN A 39 -11.958 6.077 20.935 1.00 1.00 C ATOM 546 CD GLN A 39 -10.877 6.445 21.954 1.00 1.00 C ATOM 547 OE1 GLN A 39 -9.854 7.025 21.629 1.00 1.00 O ATOM 548 NE2 GLN A 39 -11.159 6.074 23.199 1.00 1.00 N ATOM 0 H GLN A 39 -13.155 5.339 18.374 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.983 7.388 20.021 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -11.285 6.564 18.944 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.440 7.952 20.002 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.940 6.138 21.403 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.822 5.045 20.612 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.035 5.591 23.401 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.500 6.272 23.952 1.00 1.00 H new ATOM 557 N VAL A 40 -13.493 8.388 17.044 1.00 1.00 N ATOM 558 CA VAL A 40 -13.542 9.525 16.141 1.00 1.00 C ATOM 559 C VAL A 40 -14.955 9.655 15.567 1.00 1.00 C ATOM 560 O VAL A 40 -15.284 9.018 14.568 1.00 1.00 O ATOM 561 CB VAL A 40 -12.470 9.381 15.059 1.00 1.00 C ATOM 562 CG1 VAL A 40 -12.578 10.502 14.025 1.00 1.00 C ATOM 563 CG2 VAL A 40 -11.070 9.339 15.677 1.00 1.00 C ATOM 0 H VAL A 40 -13.582 7.479 16.591 1.00 1.00 H new ATOM 0 HA VAL A 40 -13.322 10.448 16.678 1.00 1.00 H new ATOM 0 HB VAL A 40 -12.639 8.435 14.545 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -11.804 10.375 13.268 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -13.559 10.466 13.551 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -12.448 11.465 14.518 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -10.326 9.236 14.887 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -10.888 10.261 16.229 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.997 8.490 16.356 1.00 1.00 H new ATOM 573 N PRO A 41 -15.773 10.506 16.242 1.00 1.00 N ATOM 574 CA PRO A 41 -17.143 10.727 15.810 1.00 1.00 C ATOM 575 C PRO A 41 -17.189 11.615 14.566 1.00 1.00 C ATOM 576 O PRO A 41 -16.538 12.658 14.519 1.00 1.00 O ATOM 577 CB PRO A 41 -17.837 11.350 17.010 1.00 1.00 C ATOM 578 CG PRO A 41 -16.729 11.880 17.906 1.00 1.00 C ATOM 579 CD PRO A 41 -15.417 11.276 17.430 1.00 1.00 C ATOM 0 HA PRO A 41 -17.644 9.806 15.510 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -18.506 12.153 16.700 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.445 10.613 17.535 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -16.688 12.968 17.859 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -16.918 11.613 18.946 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -14.686 12.050 17.196 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -14.973 10.640 18.196 1.00 1.00 H new ATOM 587 N GLY A 42 -17.964 11.170 13.588 1.00 1.00 N ATOM 588 CA GLY A 42 -18.103 11.911 12.347 1.00 1.00 C ATOM 589 C GLY A 42 -17.381 11.201 11.200 1.00 1.00 C ATOM 590 O GLY A 42 -17.638 11.482 10.030 1.00 1.00 O ATOM 0 H GLY A 42 -18.502 10.305 13.630 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -19.159 12.023 12.103 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -17.697 12.915 12.471 1.00 1.00 H new ATOM 594 N VAL A 43 -16.490 10.295 11.575 1.00 1.00 N ATOM 595 CA VAL A 43 -15.729 9.543 10.593 1.00 1.00 C ATOM 596 C VAL A 43 -16.081 8.058 10.709 1.00 1.00 C ATOM 597 O VAL A 43 -16.873 7.669 11.566 1.00 1.00 O ATOM 598 CB VAL A 43 -14.233 9.818 10.767 1.00 1.00 C ATOM 599 CG1 VAL A 43 -13.995 11.233 11.298 1.00 1.00 C ATOM 600 CG2 VAL A 43 -13.587 8.774 11.681 1.00 1.00 C ATOM 0 H VAL A 43 -16.278 10.065 12.546 1.00 1.00 H new ATOM 0 HA VAL A 43 -15.989 9.861 9.583 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.762 9.744 9.787 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -12.925 11.403 11.413 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -14.405 11.959 10.596 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -14.486 11.346 12.264 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -12.524 8.992 11.788 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -14.064 8.803 12.661 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -13.712 7.782 11.246 1.00 1.00 H new ATOM 610 N PRO A 44 -15.460 7.248 9.810 1.00 1.00 N ATOM 611 CA PRO A 44 -15.700 5.816 9.803 1.00 1.00 C ATOM 612 C PRO A 44 -14.980 5.133 10.967 1.00 1.00 C ATOM 613 O PRO A 44 -13.756 5.197 11.068 1.00 1.00 O ATOM 614 CB PRO A 44 -15.212 5.342 8.443 1.00 1.00 C ATOM 615 CG PRO A 44 -14.296 6.438 7.924 1.00 1.00 C ATOM 616 CD PRO A 44 -14.516 7.674 8.780 1.00 1.00 C ATOM 0 HA PRO A 44 -16.751 5.565 9.944 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.679 4.395 8.528 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.048 5.178 7.764 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.255 6.120 7.973 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.514 6.654 6.878 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.581 8.023 9.219 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.918 8.498 8.190 1.00 1.00 H new ATOM 624 N TRP A 45 -15.771 4.496 11.818 1.00 1.00 N ATOM 625 CA TRP A 45 -15.224 3.802 12.972 1.00 1.00 C ATOM 626 C TRP A 45 -14.538 2.528 12.475 1.00 1.00 C ATOM 627 O TRP A 45 -13.370 2.289 12.779 1.00 1.00 O ATOM 628 CB TRP A 45 -16.310 3.529 14.013 1.00 1.00 C ATOM 629 CG TRP A 45 -17.122 4.766 14.404 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.899 6.042 14.059 1.00 1.00 C ATOM 631 CD2 TRP A 45 -18.304 4.792 15.232 1.00 1.00 C ATOM 632 NE1 TRP A 45 -17.847 6.885 14.602 1.00 1.00 N ATOM 633 CE2 TRP A 45 -18.729 6.101 15.339 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.992 3.745 15.870 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -19.855 6.484 16.076 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -20.115 4.144 16.603 1.00 1.00 C ATOM 637 CH2 TRP A 45 -20.556 5.458 16.720 1.00 1.00 C ATOM 0 H TRP A 45 -16.786 4.446 11.732 1.00 1.00 H new ATOM 0 HA TRP A 45 -14.484 4.421 13.480 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.988 2.769 13.625 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.845 3.114 14.908 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -16.081 6.369 13.435 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -17.893 7.897 14.485 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -18.678 2.714 15.800 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -20.166 7.516 16.144 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -20.679 3.378 17.114 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -21.435 5.685 17.305 1.00 1.00 H new ATOM 648 N CYS A 46 -15.293 1.742 11.722 1.00 1.00 N ATOM 649 CA CYS A 46 -14.773 0.498 11.182 1.00 1.00 C ATOM 650 C CYS A 46 -14.140 0.793 9.820 1.00 1.00 C ATOM 651 O CYS A 46 -14.846 1.040 8.844 1.00 1.00 O ATOM 652 CB CYS A 46 -15.859 -0.575 11.085 1.00 1.00 C ATOM 653 SG CYS A 46 -16.152 -1.513 12.629 1.00 1.00 S ATOM 0 H CYS A 46 -16.262 1.943 11.473 1.00 1.00 H new ATOM 0 HA CYS A 46 -14.016 0.096 11.855 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.792 -0.101 10.782 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.587 -1.277 10.296 1.00 1.00 H new ATOM 658 N PHE A 47 -12.815 0.757 9.799 1.00 1.00 N ATOM 659 CA PHE A 47 -12.079 1.019 8.574 1.00 1.00 C ATOM 660 C PHE A 47 -10.977 -0.022 8.364 1.00 1.00 C ATOM 661 O PHE A 47 -10.961 -1.057 9.029 1.00 1.00 O ATOM 662 CB PHE A 47 -11.439 2.400 8.722 1.00 1.00 C ATOM 663 CG PHE A 47 -10.817 2.653 10.098 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.931 1.762 10.617 1.00 1.00 C ATOM 665 CD2 PHE A 47 -11.151 3.769 10.799 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.354 1.996 11.894 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.574 4.004 12.075 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.688 3.113 12.596 1.00 1.00 C ATOM 0 H PHE A 47 -12.233 0.550 10.611 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.753 0.974 7.718 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -10.669 2.516 7.959 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -12.195 3.162 8.530 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.666 0.876 10.059 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.855 4.476 10.386 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.651 1.288 12.307 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.839 4.891 12.632 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.250 3.292 13.567 1.00 1.00 H new ATOM 678 N LYS A 48 -10.083 0.288 7.437 1.00 1.00 N ATOM 679 CA LYS A 48 -8.980 -0.607 7.132 1.00 1.00 C ATOM 680 C LYS A 48 -7.668 0.033 7.591 1.00 1.00 C ATOM 681 O LYS A 48 -7.493 1.246 7.485 1.00 1.00 O ATOM 682 CB LYS A 48 -8.994 -0.987 5.650 1.00 1.00 C ATOM 683 CG LYS A 48 -9.866 -0.023 4.844 1.00 1.00 C ATOM 684 CD LYS A 48 -9.269 1.386 4.843 1.00 1.00 C ATOM 685 CE LYS A 48 -8.597 1.695 3.503 1.00 1.00 C ATOM 686 NZ LYS A 48 -9.573 1.583 2.396 1.00 1.00 N ATOM 0 H LYS A 48 -10.100 1.147 6.887 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.086 -1.544 7.679 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.977 -0.976 5.259 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -9.369 -2.004 5.535 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.960 -0.383 3.819 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.871 0.004 5.266 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -10.053 2.117 5.038 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -8.541 1.477 5.649 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -8.176 2.700 3.524 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.769 1.006 3.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.348 2.285 1.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -9.526 0.628 1.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -10.532 1.757 2.759 1.00 1.00 H new ATOM 700 N PRO A 49 -6.755 -0.835 8.105 1.00 1.00 N ATOM 701 CA PRO A 49 -5.464 -0.368 8.580 1.00 1.00 C ATOM 702 C PRO A 49 -4.537 -0.032 7.411 1.00 1.00 C ATOM 703 O PRO A 49 -4.728 -0.527 6.301 1.00 1.00 O ATOM 704 CB PRO A 49 -4.934 -1.495 9.453 1.00 1.00 C ATOM 705 CG PRO A 49 -5.728 -2.731 9.062 1.00 1.00 C ATOM 706 CD PRO A 49 -6.927 -2.278 8.246 1.00 1.00 C ATOM 0 HA PRO A 49 -5.537 0.559 9.149 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.867 -1.648 9.289 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.064 -1.265 10.510 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.108 -3.415 8.482 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.054 -3.272 9.950 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.953 -2.771 7.274 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.863 -2.518 8.751 1.00 1.00 H new ATOM 714 N LEU A 50 -3.553 0.808 7.699 1.00 1.00 N ATOM 715 CA LEU A 50 -2.597 1.216 6.684 1.00 1.00 C ATOM 716 C LEU A 50 -1.999 -0.028 6.024 1.00 1.00 C ATOM 717 O LEU A 50 -2.324 -0.344 4.880 1.00 1.00 O ATOM 718 CB LEU A 50 -1.550 2.158 7.282 1.00 1.00 C ATOM 719 CG LEU A 50 -1.843 3.655 7.155 1.00 1.00 C ATOM 720 CD1 LEU A 50 -2.408 4.216 8.461 1.00 1.00 C ATOM 721 CD2 LEU A 50 -0.601 4.419 6.693 1.00 1.00 C ATOM 0 H LEU A 50 -3.398 1.217 8.620 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.094 1.786 5.899 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.437 1.919 8.339 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -0.592 1.954 6.805 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.607 3.790 6.390 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.607 5.281 8.343 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.335 3.699 8.708 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.685 4.069 9.263 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -0.836 5.480 6.611 1.00 1.00 H new ATOM 0 HD22 LEU A 50 0.202 4.280 7.417 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.282 4.042 5.721 1.00 1.00 H new ATOM 733 N PRO A 51 -1.112 -0.716 6.791 1.00 1.00 N ATOM 734 CA PRO A 51 -0.466 -1.918 6.292 1.00 1.00 C ATOM 735 C PRO A 51 -1.436 -3.101 6.290 1.00 1.00 C ATOM 736 O PRO A 51 -2.650 -2.913 6.349 1.00 1.00 O ATOM 737 CB PRO A 51 0.728 -2.132 7.207 1.00 1.00 C ATOM 738 CG PRO A 51 0.445 -1.316 8.459 1.00 1.00 C ATOM 739 CD PRO A 51 -0.703 -0.370 8.149 1.00 1.00 C ATOM 0 HA PRO A 51 -0.144 -1.823 5.255 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.851 -3.188 7.448 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.651 -1.805 6.728 1.00 1.00 H new ATOM 0 HG2 PRO A 51 0.186 -1.971 9.291 1.00 1.00 H new ATOM 0 HG3 PRO A 51 1.331 -0.756 8.758 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -1.524 -0.499 8.855 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -0.387 0.671 8.214 1.00 1.00 H new ATOM 747 N ALA A 52 -0.864 -4.294 6.220 1.00 1.00 N ATOM 748 CA ALA A 52 -1.662 -5.508 6.209 1.00 1.00 C ATOM 749 C ALA A 52 -0.761 -6.709 6.501 1.00 1.00 C ATOM 750 O ALA A 52 -0.733 -7.671 5.734 1.00 1.00 O ATOM 751 CB ALA A 52 -2.383 -5.633 4.865 1.00 1.00 C ATOM 0 H ALA A 52 0.143 -4.446 6.170 1.00 1.00 H new ATOM 0 HA ALA A 52 -2.425 -5.472 6.986 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.982 -6.544 4.857 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -3.033 -4.770 4.719 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -1.649 -5.674 4.061 1.00 1.00 H new ATOM 757 N GLN A 53 -0.045 -6.615 7.612 1.00 1.00 N ATOM 758 CA GLN A 53 0.855 -7.682 8.015 1.00 1.00 C ATOM 759 C GLN A 53 0.781 -7.897 9.528 1.00 1.00 C ATOM 760 O GLN A 53 0.650 -6.939 10.288 1.00 1.00 O ATOM 761 CB GLN A 53 2.291 -7.386 7.574 1.00 1.00 C ATOM 762 CG GLN A 53 2.492 -7.728 6.096 1.00 1.00 C ATOM 763 CD GLN A 53 2.903 -9.192 5.924 1.00 1.00 C ATOM 764 OE1 GLN A 53 2.270 -9.964 5.224 1.00 1.00 O ATOM 765 NE2 GLN A 53 3.997 -9.529 6.602 1.00 1.00 N ATOM 0 H GLN A 53 -0.070 -5.816 8.246 1.00 1.00 H new ATOM 0 HA GLN A 53 0.540 -8.601 7.521 1.00 1.00 H new ATOM 0 HB2 GLN A 53 2.517 -6.333 7.741 1.00 1.00 H new ATOM 0 HB3 GLN A 53 2.988 -7.962 8.182 1.00 1.00 H new ATOM 0 HG2 GLN A 53 1.570 -7.538 5.546 1.00 1.00 H new ATOM 0 HG3 GLN A 53 3.257 -7.079 5.669 1.00 1.00 H new ATOM 0 HE21 GLN A 53 4.480 -8.833 7.170 1.00 1.00 H new ATOM 0 HE22 GLN A 53 4.353 -10.484 6.554 1.00 1.00 H new ATOM 774 N GLU A 54 0.868 -9.160 9.919 1.00 1.00 N ATOM 775 CA GLU A 54 0.811 -9.512 11.328 1.00 1.00 C ATOM 776 C GLU A 54 2.137 -9.175 12.012 1.00 1.00 C ATOM 777 O GLU A 54 2.294 -9.397 13.213 1.00 1.00 O ATOM 778 CB GLU A 54 0.462 -10.991 11.509 1.00 1.00 C ATOM 779 CG GLU A 54 -1.006 -11.253 11.166 1.00 1.00 C ATOM 780 CD GLU A 54 -1.199 -12.675 10.633 1.00 1.00 C ATOM 781 OE1 GLU A 54 -0.412 -13.058 9.742 1.00 1.00 O ATOM 782 OE2 GLU A 54 -2.130 -13.345 11.130 1.00 1.00 O ATOM 0 H GLU A 54 0.977 -9.952 9.285 1.00 1.00 H new ATOM 0 HA GLU A 54 0.022 -8.925 11.798 1.00 1.00 H new ATOM 0 HB2 GLU A 54 1.103 -11.600 10.871 1.00 1.00 H new ATOM 0 HB3 GLU A 54 0.658 -11.291 12.538 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -1.622 -11.106 12.053 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -1.343 -10.533 10.421 1.00 1.00 H new ATOM 789 N SER A 55 3.057 -8.644 11.221 1.00 1.00 N ATOM 790 CA SER A 55 4.364 -8.272 11.736 1.00 1.00 C ATOM 791 C SER A 55 4.214 -7.557 13.080 1.00 1.00 C ATOM 792 O SER A 55 4.791 -7.979 14.080 1.00 1.00 O ATOM 793 CB SER A 55 5.116 -7.385 10.742 1.00 1.00 C ATOM 794 OG SER A 55 5.552 -8.113 9.598 1.00 1.00 O ATOM 0 H SER A 55 2.923 -8.462 10.226 1.00 1.00 H new ATOM 0 HA SER A 55 4.946 -9.182 11.880 1.00 1.00 H new ATOM 0 HB2 SER A 55 4.469 -6.567 10.426 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.978 -6.937 11.236 1.00 1.00 H new ATOM 0 HG SER A 55 6.026 -7.510 8.988 1.00 1.00 H new ATOM 800 N GLU A 56 3.434 -6.485 13.059 1.00 1.00 N ATOM 801 CA GLU A 56 3.200 -5.707 14.263 1.00 1.00 C ATOM 802 C GLU A 56 4.523 -5.167 14.811 1.00 1.00 C ATOM 803 O GLU A 56 5.100 -5.746 15.730 1.00 1.00 O ATOM 804 CB GLU A 56 2.467 -6.537 15.318 1.00 1.00 C ATOM 805 CG GLU A 56 0.956 -6.520 15.078 1.00 1.00 C ATOM 806 CD GLU A 56 0.296 -7.776 15.650 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.785 -8.245 16.700 1.00 1.00 O ATOM 808 OE2 GLU A 56 -0.684 -8.237 15.025 1.00 1.00 O ATOM 0 H GLU A 56 2.957 -6.138 12.227 1.00 1.00 H new ATOM 0 HA GLU A 56 2.563 -4.861 14.008 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.831 -7.564 15.295 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.685 -6.144 16.311 1.00 1.00 H new ATOM 0 HG2 GLU A 56 0.521 -5.634 15.540 1.00 1.00 H new ATOM 0 HG3 GLU A 56 0.755 -6.454 14.009 1.00 1.00 H new ATOM 815 N GLU A 57 4.962 -4.063 14.225 1.00 1.00 N ATOM 816 CA GLU A 57 6.206 -3.439 14.644 1.00 1.00 C ATOM 817 C GLU A 57 6.549 -2.267 13.720 1.00 1.00 C ATOM 818 O GLU A 57 7.121 -1.272 14.161 1.00 1.00 O ATOM 819 CB GLU A 57 7.346 -4.458 14.681 1.00 1.00 C ATOM 820 CG GLU A 57 7.291 -5.387 13.467 1.00 1.00 C ATOM 821 CD GLU A 57 8.402 -6.437 13.530 1.00 1.00 C ATOM 822 OE1 GLU A 57 8.803 -6.772 14.667 1.00 1.00 O ATOM 823 OE2 GLU A 57 8.824 -6.883 12.442 1.00 1.00 O ATOM 0 H GLU A 57 4.479 -3.585 13.464 1.00 1.00 H new ATOM 0 HA GLU A 57 6.074 -3.054 15.655 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.303 -3.937 14.702 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.283 -5.046 15.597 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.320 -5.881 13.426 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.390 -4.802 12.552 1.00 1.00 H new ATOM 830 N CYS A 58 6.182 -2.424 12.457 1.00 1.00 N ATOM 831 CA CYS A 58 6.443 -1.392 11.468 1.00 1.00 C ATOM 832 C CYS A 58 5.316 -0.360 11.542 1.00 1.00 C ATOM 833 O CYS A 58 5.448 0.661 12.213 1.00 1.00 O ATOM 834 CB CYS A 58 6.589 -1.979 10.062 1.00 1.00 C ATOM 835 SG CYS A 58 7.949 -3.189 9.873 1.00 1.00 S ATOM 0 H CYS A 58 5.706 -3.250 12.096 1.00 1.00 H new ATOM 0 HA CYS A 58 7.394 -0.906 11.688 1.00 1.00 H new ATOM 0 HB2 CYS A 58 5.651 -2.461 9.786 1.00 1.00 H new ATOM 0 HB3 CYS A 58 6.747 -1.163 9.357 1.00 1.00 H new ATOM 840 N VAL A 59 4.233 -0.663 10.842 1.00 1.00 N ATOM 841 CA VAL A 59 3.084 0.226 10.819 1.00 1.00 C ATOM 842 C VAL A 59 3.548 1.660 11.081 1.00 1.00 C ATOM 843 O VAL A 59 4.014 1.975 12.174 1.00 1.00 O ATOM 844 CB VAL A 59 2.031 -0.255 11.821 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.621 0.104 11.349 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.159 -1.758 12.072 1.00 1.00 C ATOM 0 H VAL A 59 4.127 -1.512 10.286 1.00 1.00 H new ATOM 0 HA VAL A 59 2.610 0.213 9.838 1.00 1.00 H new ATOM 0 HB VAL A 59 2.209 0.258 12.766 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.108 -0.249 12.079 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.536 1.186 11.246 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.428 -0.369 10.386 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.399 -2.073 12.787 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.021 -2.297 11.135 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.148 -1.977 12.473 1.00 1.00 H new ATOM 856 N MET A 60 3.404 2.490 10.058 1.00 1.00 N ATOM 857 CA MET A 60 3.804 3.883 10.164 1.00 1.00 C ATOM 858 C MET A 60 3.559 4.625 8.848 1.00 1.00 C ATOM 859 O MET A 60 3.817 4.088 7.772 1.00 1.00 O ATOM 860 CB MET A 60 5.287 3.963 10.527 1.00 1.00 C ATOM 861 CG MET A 60 6.163 3.892 9.275 1.00 1.00 C ATOM 862 SD MET A 60 7.857 3.565 9.732 1.00 1.00 S ATOM 863 CE MET A 60 7.610 2.269 10.934 1.00 1.00 C ATOM 0 H MET A 60 3.016 2.225 9.153 1.00 1.00 H new ATOM 0 HA MET A 60 3.205 4.355 10.943 1.00 1.00 H new ATOM 0 HB2 MET A 60 5.485 4.892 11.061 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.544 3.147 11.202 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.799 3.108 8.611 1.00 1.00 H new ATOM 0 HG3 MET A 60 6.101 4.831 8.724 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.557 1.765 11.126 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.234 2.700 11.862 1.00 1.00 H new ATOM 0 HE3 MET A 60 6.888 1.549 10.549 1.00 1.00 H new ATOM 873 N GLN A 61 3.064 5.847 8.978 1.00 1.00 N ATOM 874 CA GLN A 61 2.782 6.668 7.813 1.00 1.00 C ATOM 875 C GLN A 61 4.051 7.385 7.348 1.00 1.00 C ATOM 876 O GLN A 61 5.042 7.435 8.077 1.00 1.00 O ATOM 877 CB GLN A 61 1.662 7.668 8.104 1.00 1.00 C ATOM 878 CG GLN A 61 0.479 6.983 8.791 1.00 1.00 C ATOM 879 CD GLN A 61 -0.177 7.914 9.811 1.00 1.00 C ATOM 880 OE1 GLN A 61 -0.050 7.747 11.013 1.00 1.00 O ATOM 881 NE2 GLN A 61 -0.884 8.901 9.268 1.00 1.00 N ATOM 0 H GLN A 61 2.851 6.288 9.873 1.00 1.00 H new ATOM 0 HA GLN A 61 2.441 6.016 7.008 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.041 8.469 8.738 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.330 8.128 7.173 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.255 6.682 8.044 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.819 6.075 9.288 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -0.949 8.983 8.253 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -1.361 9.576 9.866 1.00 1.00 H new ATOM 890 N VAL A 62 3.981 7.923 6.140 1.00 1.00 N ATOM 891 CA VAL A 62 5.112 8.635 5.570 1.00 1.00 C ATOM 892 C VAL A 62 5.452 9.835 6.457 1.00 1.00 C ATOM 893 O VAL A 62 5.043 10.959 6.170 1.00 1.00 O ATOM 894 CB VAL A 62 4.808 9.029 4.123 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.671 10.050 4.059 1.00 1.00 C ATOM 896 CG2 VAL A 62 6.062 9.559 3.425 1.00 1.00 C ATOM 0 H VAL A 62 3.158 7.880 5.539 1.00 1.00 H new ATOM 0 HA VAL A 62 5.992 7.992 5.539 1.00 1.00 H new ATOM 0 HB VAL A 62 4.483 8.134 3.593 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.476 10.312 3.019 1.00 1.00 H new ATOM 0 HG12 VAL A 62 2.771 9.621 4.500 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.955 10.945 4.612 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.819 9.832 2.398 1.00 1.00 H new ATOM 0 HG22 VAL A 62 6.431 10.437 3.956 1.00 1.00 H new ATOM 0 HG23 VAL A 62 6.831 8.787 3.423 1.00 1.00 H new ATOM 906 N SER A 63 6.198 9.556 7.516 1.00 1.00 N ATOM 907 CA SER A 63 6.598 10.598 8.446 1.00 1.00 C ATOM 908 C SER A 63 7.009 9.977 9.783 1.00 1.00 C ATOM 909 O SER A 63 7.791 10.564 10.529 1.00 1.00 O ATOM 910 CB SER A 63 5.470 11.611 8.656 1.00 1.00 C ATOM 911 OG SER A 63 5.527 12.214 9.946 1.00 1.00 O ATOM 0 H SER A 63 6.536 8.623 7.751 1.00 1.00 H new ATOM 0 HA SER A 63 7.451 11.127 8.021 1.00 1.00 H new ATOM 0 HB2 SER A 63 5.531 12.385 7.891 1.00 1.00 H new ATOM 0 HB3 SER A 63 4.508 11.114 8.530 1.00 1.00 H new ATOM 0 HG SER A 63 4.792 12.855 10.040 1.00 1.00 H new ATOM 917 N ALA A 64 6.464 8.798 10.044 1.00 1.00 N ATOM 918 CA ALA A 64 6.765 8.091 11.277 1.00 1.00 C ATOM 919 C ALA A 64 8.094 7.351 11.124 1.00 1.00 C ATOM 920 O ALA A 64 8.699 6.944 12.114 1.00 1.00 O ATOM 921 CB ALA A 64 5.608 7.150 11.620 1.00 1.00 C ATOM 0 H ALA A 64 5.816 8.315 9.422 1.00 1.00 H new ATOM 0 HA ALA A 64 6.872 8.791 12.106 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.833 6.619 12.545 1.00 1.00 H new ATOM 0 HB2 ALA A 64 4.693 7.729 11.747 1.00 1.00 H new ATOM 0 HB3 ALA A 64 5.472 6.431 10.812 1.00 1.00 H new ATOM 927 N ARG A 65 8.510 7.198 9.875 1.00 1.00 N ATOM 928 CA ARG A 65 9.758 6.514 9.580 1.00 1.00 C ATOM 929 C ARG A 65 10.907 7.141 10.370 1.00 1.00 C ATOM 930 O ARG A 65 10.707 8.111 11.100 1.00 1.00 O ATOM 931 CB ARG A 65 10.080 6.577 8.086 1.00 1.00 C ATOM 932 CG ARG A 65 10.111 8.025 7.593 1.00 1.00 C ATOM 933 CD ARG A 65 11.319 8.772 8.161 1.00 1.00 C ATOM 934 NE ARG A 65 11.726 9.854 7.238 1.00 1.00 N ATOM 935 CZ ARG A 65 10.996 10.952 7.000 1.00 1.00 C ATOM 936 NH1 ARG A 65 9.818 11.120 7.615 1.00 1.00 N ATOM 937 NH2 ARG A 65 11.443 11.883 6.145 1.00 1.00 N ATOM 0 H ARG A 65 8.005 7.536 9.056 1.00 1.00 H new ATOM 0 HA ARG A 65 9.641 5.470 9.871 1.00 1.00 H new ATOM 0 HB2 ARG A 65 11.044 6.104 7.898 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.334 6.014 7.525 1.00 1.00 H new ATOM 0 HG2 ARG A 65 10.148 8.041 6.504 1.00 1.00 H new ATOM 0 HG3 ARG A 65 9.193 8.533 7.888 1.00 1.00 H new ATOM 0 HD2 ARG A 65 11.072 9.189 9.137 1.00 1.00 H new ATOM 0 HD3 ARG A 65 12.148 8.080 8.310 1.00 1.00 H new ATOM 0 HE ARG A 65 12.618 9.758 6.753 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.476 10.412 8.265 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.263 11.956 7.434 1.00 1.00 H new ATOM 0 HH21 ARG A 65 12.339 11.756 5.675 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.887 12.719 5.964 1.00 1.00 H new ATOM 951 N LYS A 66 12.086 6.562 10.198 1.00 1.00 N ATOM 952 CA LYS A 66 13.269 7.052 10.887 1.00 1.00 C ATOM 953 C LYS A 66 14.398 7.251 9.874 1.00 1.00 C ATOM 954 O LYS A 66 15.203 8.171 10.009 1.00 1.00 O ATOM 955 CB LYS A 66 13.638 6.124 12.045 1.00 1.00 C ATOM 956 CG LYS A 66 13.147 6.689 13.379 1.00 1.00 C ATOM 957 CD LYS A 66 13.712 8.090 13.624 1.00 1.00 C ATOM 958 CE LYS A 66 12.587 9.115 13.780 1.00 1.00 C ATOM 959 NZ LYS A 66 11.710 8.754 14.916 1.00 1.00 N ATOM 0 H LYS A 66 12.248 5.758 9.592 1.00 1.00 H new ATOM 0 HA LYS A 66 13.071 8.024 11.339 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.200 5.139 11.880 1.00 1.00 H new ATOM 0 HB3 LYS A 66 14.719 5.991 12.078 1.00 1.00 H new ATOM 0 HG2 LYS A 66 12.058 6.727 13.383 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.446 6.026 14.191 1.00 1.00 H new ATOM 0 HD2 LYS A 66 14.331 8.085 14.521 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.357 8.376 12.793 1.00 1.00 H new ATOM 0 HE2 LYS A 66 13.010 10.107 13.941 1.00 1.00 H new ATOM 0 HE3 LYS A 66 12.001 9.163 12.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.308 9.618 15.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 10.940 8.142 14.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.265 8.248 15.636 1.00 1.00 H new ATOM 973 N ASN A 67 14.419 6.375 8.879 1.00 1.00 N ATOM 974 CA ASN A 67 15.436 6.443 7.844 1.00 1.00 C ATOM 975 C ASN A 67 16.549 5.442 8.162 1.00 1.00 C ATOM 976 O ASN A 67 17.563 5.804 8.755 1.00 1.00 O ATOM 977 CB ASN A 67 16.060 7.838 7.775 1.00 1.00 C ATOM 978 CG ASN A 67 16.767 8.057 6.436 1.00 1.00 C ATOM 979 OD1 ASN A 67 16.170 8.012 5.374 1.00 1.00 O ATOM 980 ND2 ASN A 67 18.071 8.296 6.547 1.00 1.00 N ATOM 0 H ASN A 67 13.748 5.615 8.768 1.00 1.00 H new ATOM 0 HA ASN A 67 14.962 6.213 6.890 1.00 1.00 H new ATOM 0 HB2 ASN A 67 15.286 8.594 7.909 1.00 1.00 H new ATOM 0 HB3 ASN A 67 16.772 7.963 8.591 1.00 1.00 H new ATOM 0 HD21 ASN A 67 18.633 8.455 5.711 1.00 1.00 H new ATOM 0 HD22 ASN A 67 18.509 8.320 7.468 1.00 1.00 H new ATOM 987 N CYS A 68 16.321 4.203 7.752 1.00 1.00 N ATOM 988 CA CYS A 68 17.291 3.147 7.986 1.00 1.00 C ATOM 989 C CYS A 68 17.707 2.570 6.632 1.00 1.00 C ATOM 990 O CYS A 68 17.392 3.137 5.587 1.00 1.00 O ATOM 991 CB CYS A 68 16.741 2.070 8.922 1.00 1.00 C ATOM 992 SG CYS A 68 18.004 1.208 9.927 1.00 1.00 S ATOM 0 H CYS A 68 15.479 3.907 7.259 1.00 1.00 H new ATOM 0 HA CYS A 68 18.166 3.558 8.489 1.00 1.00 H new ATOM 0 HB2 CYS A 68 16.014 2.528 9.593 1.00 1.00 H new ATOM 0 HB3 CYS A 68 16.204 1.331 8.327 1.00 1.00 H new ATOM 997 N GLY A 69 18.409 1.447 6.694 1.00 1.00 N ATOM 998 CA GLY A 69 18.872 0.786 5.485 1.00 1.00 C ATOM 999 C GLY A 69 19.506 1.789 4.520 1.00 1.00 C ATOM 1000 O GLY A 69 19.633 2.969 4.841 1.00 1.00 O ATOM 0 H GLY A 69 18.668 0.979 7.562 1.00 1.00 H new ATOM 0 HA2 GLY A 69 19.598 0.015 5.743 1.00 1.00 H new ATOM 0 HA3 GLY A 69 18.036 0.285 4.997 1.00 1.00 H new ATOM 1004 N TYR A 70 19.888 1.282 3.357 1.00 1.00 N ATOM 1005 CA TYR A 70 20.507 2.118 2.343 1.00 1.00 C ATOM 1006 C TYR A 70 19.760 2.009 1.012 1.00 1.00 C ATOM 1007 O TYR A 70 18.968 1.089 0.814 1.00 1.00 O ATOM 1008 CB TYR A 70 21.928 1.582 2.163 1.00 1.00 C ATOM 1009 CG TYR A 70 21.991 0.177 1.560 1.00 1.00 C ATOM 1010 CD1 TYR A 70 21.972 0.013 0.190 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.068 -0.925 2.387 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.032 -1.310 -0.377 1.00 1.00 C ATOM 1013 CE2 TYR A 70 22.127 -2.248 1.819 1.00 1.00 C ATOM 1014 CZ TYR A 70 22.106 -2.375 0.466 1.00 1.00 C ATOM 1015 OH TYR A 70 22.162 -3.624 -0.070 1.00 1.00 O ATOM 0 H TYR A 70 19.781 0.302 3.094 1.00 1.00 H new ATOM 0 HA TYR A 70 20.491 3.165 2.647 1.00 1.00 H new ATOM 0 HB2 TYR A 70 22.485 2.266 1.523 1.00 1.00 H new ATOM 0 HB3 TYR A 70 22.428 1.573 3.132 1.00 1.00 H new ATOM 0 HD1 TYR A 70 21.912 0.876 -0.457 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.084 -0.796 3.459 1.00 1.00 H new ATOM 0 HE1 TYR A 70 22.019 -1.453 -1.447 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.187 -3.119 2.454 1.00 1.00 H new ATOM 0 HH TYR A 70 22.213 -4.287 0.650 1.00 1.00 H new ATOM 1025 N PRO A 71 20.048 2.986 0.110 1.00 1.00 N ATOM 1026 CA PRO A 71 19.412 3.008 -1.196 1.00 1.00 C ATOM 1027 C PRO A 71 20.008 1.938 -2.114 1.00 1.00 C ATOM 1028 O PRO A 71 20.869 2.234 -2.941 1.00 1.00 O ATOM 1029 CB PRO A 71 19.627 4.421 -1.715 1.00 1.00 C ATOM 1030 CG PRO A 71 20.768 4.997 -0.892 1.00 1.00 C ATOM 1031 CD PRO A 71 20.980 4.091 0.310 1.00 1.00 C ATOM 0 HA PRO A 71 18.349 2.772 -1.150 1.00 1.00 H new ATOM 0 HB2 PRO A 71 19.875 4.414 -2.776 1.00 1.00 H new ATOM 0 HB3 PRO A 71 18.723 5.020 -1.603 1.00 1.00 H new ATOM 0 HG2 PRO A 71 21.677 5.057 -1.490 1.00 1.00 H new ATOM 0 HG3 PRO A 71 20.532 6.011 -0.569 1.00 1.00 H new ATOM 0 HD2 PRO A 71 22.009 3.736 0.362 1.00 1.00 H new ATOM 0 HD3 PRO A 71 20.777 4.617 1.243 1.00 1.00 H new ATOM 1039 N GLY A 72 19.526 0.717 -1.936 1.00 1.00 N ATOM 1040 CA GLY A 72 20.001 -0.399 -2.737 1.00 1.00 C ATOM 1041 C GLY A 72 19.624 -1.735 -2.095 1.00 1.00 C ATOM 1042 O GLY A 72 19.497 -2.746 -2.784 1.00 1.00 O ATOM 0 H GLY A 72 18.812 0.476 -1.249 1.00 1.00 H new ATOM 0 HA2 GLY A 72 19.575 -0.340 -3.738 1.00 1.00 H new ATOM 0 HA3 GLY A 72 21.084 -0.337 -2.847 1.00 1.00 H new ATOM 1046 N ILE A 73 19.454 -1.697 -0.781 1.00 1.00 N ATOM 1047 CA ILE A 73 19.093 -2.891 -0.037 1.00 1.00 C ATOM 1048 C ILE A 73 17.796 -3.471 -0.608 1.00 1.00 C ATOM 1049 O ILE A 73 17.046 -2.771 -1.288 1.00 1.00 O ATOM 1050 CB ILE A 73 19.025 -2.591 1.461 1.00 1.00 C ATOM 1051 CG1 ILE A 73 19.267 -3.856 2.286 1.00 1.00 C ATOM 1052 CG2 ILE A 73 17.702 -1.913 1.825 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.060 -3.586 3.778 1.00 1.00 C ATOM 0 H ILE A 73 19.560 -0.857 -0.213 1.00 1.00 H new ATOM 0 HA ILE A 73 19.862 -3.656 -0.150 1.00 1.00 H new ATOM 0 HB ILE A 73 19.824 -1.891 1.705 1.00 1.00 H new ATOM 0 HG12 ILE A 73 18.589 -4.644 1.958 1.00 1.00 H new ATOM 0 HG13 ILE A 73 20.281 -4.217 2.115 1.00 1.00 H new ATOM 0 HG21 ILE A 73 17.679 -1.711 2.896 1.00 1.00 H new ATOM 0 HG22 ILE A 73 17.611 -0.975 1.277 1.00 1.00 H new ATOM 0 HG23 ILE A 73 16.872 -2.569 1.562 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.238 -4.502 4.342 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.756 -2.815 4.108 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.038 -3.248 3.948 1.00 1.00 H new ATOM 1065 N SER A 74 17.572 -4.741 -0.309 1.00 1.00 N ATOM 1066 CA SER A 74 16.379 -5.422 -0.784 1.00 1.00 C ATOM 1067 C SER A 74 15.307 -5.420 0.307 1.00 1.00 C ATOM 1068 O SER A 74 15.517 -4.872 1.389 1.00 1.00 O ATOM 1069 CB SER A 74 16.697 -6.856 -1.213 1.00 1.00 C ATOM 1070 OG SER A 74 16.260 -7.125 -2.542 1.00 1.00 O ATOM 0 H SER A 74 18.196 -5.317 0.256 1.00 1.00 H new ATOM 0 HA SER A 74 16.003 -4.886 -1.655 1.00 1.00 H new ATOM 0 HB2 SER A 74 17.772 -7.025 -1.143 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.219 -7.554 -0.526 1.00 1.00 H new ATOM 0 HG SER A 74 16.483 -8.049 -2.779 1.00 1.00 H new ATOM 1076 N PRO A 75 14.149 -6.054 -0.024 1.00 1.00 N ATOM 1077 CA PRO A 75 13.043 -6.129 0.915 1.00 1.00 C ATOM 1078 C PRO A 75 13.329 -7.151 2.018 1.00 1.00 C ATOM 1079 O PRO A 75 13.730 -6.784 3.121 1.00 1.00 O ATOM 1080 CB PRO A 75 11.833 -6.490 0.070 1.00 1.00 C ATOM 1081 CG PRO A 75 12.386 -7.058 -1.227 1.00 1.00 C ATOM 1082 CD PRO A 75 13.865 -6.712 -1.295 1.00 1.00 C ATOM 0 HA PRO A 75 12.876 -5.191 1.445 1.00 1.00 H new ATOM 0 HB2 PRO A 75 11.204 -7.220 0.580 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.214 -5.613 -0.120 1.00 1.00 H new ATOM 0 HG2 PRO A 75 12.245 -8.138 -1.261 1.00 1.00 H new ATOM 0 HG3 PRO A 75 11.856 -6.640 -2.083 1.00 1.00 H new ATOM 0 HD2 PRO A 75 14.475 -7.606 -1.424 1.00 1.00 H new ATOM 0 HD3 PRO A 75 14.080 -6.055 -2.138 1.00 1.00 H new ATOM 1090 N GLU A 76 13.111 -8.414 1.680 1.00 1.00 N ATOM 1091 CA GLU A 76 13.340 -9.491 2.628 1.00 1.00 C ATOM 1092 C GLU A 76 14.733 -9.366 3.248 1.00 1.00 C ATOM 1093 O GLU A 76 14.933 -9.717 4.410 1.00 1.00 O ATOM 1094 CB GLU A 76 13.158 -10.856 1.960 1.00 1.00 C ATOM 1095 CG GLU A 76 14.272 -11.124 0.947 1.00 1.00 C ATOM 1096 CD GLU A 76 15.442 -11.862 1.601 1.00 1.00 C ATOM 1097 OE1 GLU A 76 15.518 -11.813 2.848 1.00 1.00 O ATOM 1098 OE2 GLU A 76 16.235 -12.458 0.840 1.00 1.00 O ATOM 0 H GLU A 76 12.779 -8.715 0.764 1.00 1.00 H new ATOM 0 HA GLU A 76 12.601 -9.411 3.425 1.00 1.00 H new ATOM 0 HB2 GLU A 76 13.156 -11.639 2.719 1.00 1.00 H new ATOM 0 HB3 GLU A 76 12.190 -10.894 1.460 1.00 1.00 H new ATOM 0 HG2 GLU A 76 13.881 -11.716 0.119 1.00 1.00 H new ATOM 0 HG3 GLU A 76 14.621 -10.181 0.527 1.00 1.00 H new ATOM 1105 N ASP A 77 15.660 -8.864 2.445 1.00 1.00 N ATOM 1106 CA ASP A 77 17.028 -8.688 2.901 1.00 1.00 C ATOM 1107 C ASP A 77 17.057 -7.654 4.028 1.00 1.00 C ATOM 1108 O ASP A 77 17.580 -7.921 5.108 1.00 1.00 O ATOM 1109 CB ASP A 77 17.924 -8.180 1.770 1.00 1.00 C ATOM 1110 CG ASP A 77 18.081 -9.138 0.589 1.00 1.00 C ATOM 1111 OD1 ASP A 77 17.043 -9.694 0.167 1.00 1.00 O ATOM 1112 OD2 ASP A 77 19.235 -9.295 0.133 1.00 1.00 O ATOM 0 H ASP A 77 15.490 -8.574 1.482 1.00 1.00 H new ATOM 0 HA ASP A 77 17.395 -9.655 3.246 1.00 1.00 H new ATOM 0 HB2 ASP A 77 17.519 -7.237 1.402 1.00 1.00 H new ATOM 0 HB3 ASP A 77 18.912 -7.965 2.178 1.00 1.00 H new ATOM 1117 N CYS A 78 16.489 -6.492 3.737 1.00 1.00 N ATOM 1118 CA CYS A 78 16.442 -5.417 4.713 1.00 1.00 C ATOM 1119 C CYS A 78 15.887 -5.979 6.023 1.00 1.00 C ATOM 1120 O CYS A 78 16.596 -6.040 7.027 1.00 1.00 O ATOM 1121 CB CYS A 78 15.619 -4.230 4.207 1.00 1.00 C ATOM 1122 SG CYS A 78 15.587 -2.785 5.330 1.00 1.00 S ATOM 0 H CYS A 78 16.058 -6.272 2.839 1.00 1.00 H new ATOM 0 HA CYS A 78 17.448 -5.033 4.882 1.00 1.00 H new ATOM 0 HB2 CYS A 78 16.017 -3.914 3.243 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.595 -4.562 4.036 1.00 1.00 H new ATOM 1127 N ALA A 79 14.624 -6.376 5.971 1.00 1.00 N ATOM 1128 CA ALA A 79 13.966 -6.933 7.141 1.00 1.00 C ATOM 1129 C ALA A 79 14.832 -8.049 7.726 1.00 1.00 C ATOM 1130 O ALA A 79 15.000 -8.138 8.941 1.00 1.00 O ATOM 1131 CB ALA A 79 12.566 -7.419 6.757 1.00 1.00 C ATOM 0 H ALA A 79 14.039 -6.323 5.137 1.00 1.00 H new ATOM 0 HA ALA A 79 13.846 -6.172 7.912 1.00 1.00 H new ATOM 0 HB1 ALA A 79 12.072 -7.837 7.634 1.00 1.00 H new ATOM 0 HB2 ALA A 79 11.982 -6.581 6.376 1.00 1.00 H new ATOM 0 HB3 ALA A 79 12.646 -8.186 5.986 1.00 1.00 H new ATOM 1137 N ALA A 80 15.359 -8.875 6.833 1.00 1.00 N ATOM 1138 CA ALA A 80 16.203 -9.983 7.246 1.00 1.00 C ATOM 1139 C ALA A 80 17.635 -9.481 7.446 1.00 1.00 C ATOM 1140 O ALA A 80 18.567 -10.276 7.549 1.00 1.00 O ATOM 1141 CB ALA A 80 16.119 -11.103 6.207 1.00 1.00 C ATOM 0 H ALA A 80 15.218 -8.799 5.826 1.00 1.00 H new ATOM 0 HA ALA A 80 15.861 -10.392 8.196 1.00 1.00 H new ATOM 0 HB1 ALA A 80 16.752 -11.935 6.516 1.00 1.00 H new ATOM 0 HB2 ALA A 80 15.087 -11.444 6.123 1.00 1.00 H new ATOM 0 HB3 ALA A 80 16.458 -10.729 5.241 1.00 1.00 H new ATOM 1147 N ARG A 81 17.763 -8.163 7.494 1.00 1.00 N ATOM 1148 CA ARG A 81 19.066 -7.545 7.681 1.00 1.00 C ATOM 1149 C ARG A 81 19.061 -6.663 8.930 1.00 1.00 C ATOM 1150 O ARG A 81 19.986 -6.722 9.740 1.00 1.00 O ATOM 1151 CB ARG A 81 19.450 -6.695 6.467 1.00 1.00 C ATOM 1152 CG ARG A 81 20.124 -7.550 5.392 1.00 1.00 C ATOM 1153 CD ARG A 81 21.647 -7.513 5.535 1.00 1.00 C ATOM 1154 NE ARG A 81 22.264 -8.525 4.650 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.479 -9.055 4.847 1.00 1.00 C ATOM 1156 NH1 ARG A 81 24.214 -8.673 5.900 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.958 -9.969 3.992 1.00 1.00 N ATOM 0 H ARG A 81 16.987 -7.506 7.407 1.00 1.00 H new ATOM 0 HA ARG A 81 19.798 -8.344 7.799 1.00 1.00 H new ATOM 0 HB2 ARG A 81 18.560 -6.220 6.054 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.123 -5.895 6.776 1.00 1.00 H new ATOM 0 HG2 ARG A 81 19.773 -8.579 5.468 1.00 1.00 H new ATOM 0 HG3 ARG A 81 19.839 -7.189 4.404 1.00 1.00 H new ATOM 0 HD2 ARG A 81 22.020 -6.521 5.282 1.00 1.00 H new ATOM 0 HD3 ARG A 81 21.928 -7.704 6.571 1.00 1.00 H new ATOM 0 HE ARG A 81 21.731 -8.839 3.839 1.00 1.00 H new ATOM 0 HH11 ARG A 81 23.849 -7.979 6.552 1.00 1.00 H new ATOM 0 HH12 ARG A 81 25.139 -9.077 6.050 1.00 1.00 H new ATOM 0 HH21 ARG A 81 23.398 -10.261 3.191 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.883 -10.372 4.142 1.00 1.00 H new ATOM 1171 N ASN A 82 18.009 -5.866 9.050 1.00 1.00 N ATOM 1172 CA ASN A 82 17.872 -4.974 10.188 1.00 1.00 C ATOM 1173 C ASN A 82 17.161 -3.694 9.744 1.00 1.00 C ATOM 1174 O ASN A 82 17.704 -2.917 8.959 1.00 1.00 O ATOM 1175 CB ASN A 82 19.240 -4.583 10.750 1.00 1.00 C ATOM 1176 CG ASN A 82 19.630 -5.486 11.921 1.00 1.00 C ATOM 1177 OD1 ASN A 82 18.846 -5.764 12.813 1.00 1.00 O ATOM 1178 ND2 ASN A 82 20.883 -5.929 11.870 1.00 1.00 N ATOM 0 H ASN A 82 17.244 -5.820 8.377 1.00 1.00 H new ATOM 0 HA ASN A 82 17.301 -5.495 10.957 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.993 -4.654 9.965 1.00 1.00 H new ATOM 0 HB3 ASN A 82 19.219 -3.544 11.079 1.00 1.00 H new ATOM 0 HD21 ASN A 82 21.239 -6.539 12.606 1.00 1.00 H new ATOM 0 HD22 ASN A 82 21.488 -5.659 11.095 1.00 1.00 H new ATOM 1185 N CYS A 83 15.956 -3.513 10.265 1.00 1.00 N ATOM 1186 CA CYS A 83 15.164 -2.340 9.932 1.00 1.00 C ATOM 1187 C CYS A 83 13.967 -2.791 9.093 1.00 1.00 C ATOM 1188 O CYS A 83 14.087 -3.698 8.270 1.00 1.00 O ATOM 1189 CB CYS A 83 16.000 -1.280 9.211 1.00 1.00 C ATOM 1190 SG CYS A 83 17.402 -0.617 10.182 1.00 1.00 S ATOM 0 H CYS A 83 15.509 -4.159 10.915 1.00 1.00 H new ATOM 0 HA CYS A 83 14.807 -1.867 10.847 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.387 -1.710 8.287 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.348 -0.453 8.929 1.00 1.00 H new ATOM 1195 N CYS A 84 12.839 -2.139 9.331 1.00 1.00 N ATOM 1196 CA CYS A 84 11.620 -2.461 8.608 1.00 1.00 C ATOM 1197 C CYS A 84 11.824 -2.092 7.137 1.00 1.00 C ATOM 1198 O CYS A 84 12.754 -1.362 6.799 1.00 1.00 O ATOM 1199 CB CYS A 84 10.402 -1.757 9.210 1.00 1.00 C ATOM 1200 SG CYS A 84 9.769 -2.506 10.755 1.00 1.00 S ATOM 0 H CYS A 84 12.743 -1.388 10.015 1.00 1.00 H new ATOM 0 HA CYS A 84 11.416 -3.529 8.689 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.662 -0.717 9.407 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.601 -1.751 8.471 1.00 1.00 H new ATOM 1205 N PHE A 85 10.937 -2.615 6.301 1.00 1.00 N ATOM 1206 CA PHE A 85 11.008 -2.350 4.875 1.00 1.00 C ATOM 1207 C PHE A 85 9.608 -2.205 4.274 1.00 1.00 C ATOM 1208 O PHE A 85 8.940 -3.200 3.999 1.00 1.00 O ATOM 1209 CB PHE A 85 11.704 -3.551 4.230 1.00 1.00 C ATOM 1210 CG PHE A 85 11.971 -3.385 2.733 1.00 1.00 C ATOM 1211 CD1 PHE A 85 10.953 -3.522 1.841 1.00 1.00 C ATOM 1212 CD2 PHE A 85 13.227 -3.102 2.293 1.00 1.00 C ATOM 1213 CE1 PHE A 85 11.200 -3.369 0.451 1.00 1.00 C ATOM 1214 CE2 PHE A 85 13.474 -2.949 0.903 1.00 1.00 C ATOM 1215 CZ PHE A 85 12.456 -3.085 0.012 1.00 1.00 C ATOM 0 H PHE A 85 10.167 -3.220 6.585 1.00 1.00 H new ATOM 0 HA PHE A 85 11.550 -1.421 4.696 1.00 1.00 H new ATOM 0 HB2 PHE A 85 12.651 -3.726 4.740 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.090 -4.439 4.383 1.00 1.00 H new ATOM 0 HD1 PHE A 85 9.956 -3.747 2.190 1.00 1.00 H new ATOM 0 HD2 PHE A 85 14.036 -2.994 3.001 1.00 1.00 H new ATOM 0 HE1 PHE A 85 10.392 -3.478 -0.257 1.00 1.00 H new ATOM 0 HE2 PHE A 85 14.471 -2.725 0.553 1.00 1.00 H new ATOM 0 HZ PHE A 85 12.645 -2.968 -1.045 1.00 1.00 H new ATOM 1225 N SER A 86 9.205 -0.956 4.089 1.00 1.00 N ATOM 1226 CA SER A 86 7.898 -0.667 3.526 1.00 1.00 C ATOM 1227 C SER A 86 8.025 0.372 2.410 1.00 1.00 C ATOM 1228 O SER A 86 8.078 1.571 2.676 1.00 1.00 O ATOM 1229 CB SER A 86 6.931 -0.171 4.605 1.00 1.00 C ATOM 1230 OG SER A 86 5.637 0.105 4.076 1.00 1.00 O ATOM 0 H SER A 86 9.761 -0.133 4.319 1.00 1.00 H new ATOM 0 HA SER A 86 7.494 -1.590 3.109 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.849 -0.922 5.391 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.334 0.731 5.066 1.00 1.00 H new ATOM 0 HG SER A 86 5.049 0.417 4.795 1.00 1.00 H new ATOM 1236 N ASP A 87 8.071 -0.127 1.184 1.00 1.00 N ATOM 1237 CA ASP A 87 8.191 0.743 0.026 1.00 1.00 C ATOM 1238 C ASP A 87 6.809 1.282 -0.347 1.00 1.00 C ATOM 1239 O ASP A 87 6.688 2.129 -1.231 1.00 1.00 O ATOM 1240 CB ASP A 87 8.743 -0.020 -1.180 1.00 1.00 C ATOM 1241 CG ASP A 87 7.705 -0.822 -1.968 1.00 1.00 C ATOM 1242 OD1 ASP A 87 6.970 -1.595 -1.316 1.00 1.00 O ATOM 1243 OD2 ASP A 87 7.669 -0.643 -3.206 1.00 1.00 O ATOM 0 H ASP A 87 8.027 -1.123 0.967 1.00 1.00 H new ATOM 0 HA ASP A 87 8.872 1.554 0.282 1.00 1.00 H new ATOM 0 HB2 ASP A 87 9.219 0.692 -1.855 1.00 1.00 H new ATOM 0 HB3 ASP A 87 9.521 -0.701 -0.835 1.00 1.00 H new ATOM 1248 N THR A 88 5.803 0.771 0.346 1.00 1.00 N ATOM 1249 CA THR A 88 4.434 1.191 0.099 1.00 1.00 C ATOM 1250 C THR A 88 4.398 2.652 -0.354 1.00 1.00 C ATOM 1251 O THR A 88 3.637 3.010 -1.252 1.00 1.00 O ATOM 1252 CB THR A 88 3.621 0.927 1.368 1.00 1.00 C ATOM 1253 OG1 THR A 88 2.330 1.452 1.069 1.00 1.00 O ATOM 1254 CG2 THR A 88 4.099 1.769 2.554 1.00 1.00 C ATOM 0 H THR A 88 5.908 0.070 1.079 1.00 1.00 H new ATOM 0 HA THR A 88 3.986 0.620 -0.715 1.00 1.00 H new ATOM 0 HB THR A 88 3.681 -0.131 1.624 1.00 1.00 H new ATOM 0 HG1 THR A 88 1.737 1.321 1.839 1.00 1.00 H new ATOM 0 HG21 THR A 88 3.489 1.544 3.429 1.00 1.00 H new ATOM 0 HG22 THR A 88 5.142 1.536 2.769 1.00 1.00 H new ATOM 0 HG23 THR A 88 4.006 2.827 2.310 1.00 1.00 H new ATOM 1262 N ILE A 89 5.230 3.458 0.290 1.00 1.00 N ATOM 1263 CA ILE A 89 5.303 4.872 -0.035 1.00 1.00 C ATOM 1264 C ILE A 89 6.628 5.161 -0.745 1.00 1.00 C ATOM 1265 O ILE A 89 7.678 5.217 -0.107 1.00 1.00 O ATOM 1266 CB ILE A 89 5.079 5.722 1.218 1.00 1.00 C ATOM 1267 CG1 ILE A 89 3.586 5.910 1.492 1.00 1.00 C ATOM 1268 CG2 ILE A 89 5.815 7.058 1.112 1.00 1.00 C ATOM 1269 CD1 ILE A 89 3.179 5.231 2.802 1.00 1.00 C ATOM 0 H ILE A 89 5.859 3.158 1.035 1.00 1.00 H new ATOM 0 HA ILE A 89 4.505 5.145 -0.725 1.00 1.00 H new ATOM 0 HB ILE A 89 5.499 5.190 2.072 1.00 1.00 H new ATOM 0 HG12 ILE A 89 3.353 6.974 1.542 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.006 5.495 0.668 1.00 1.00 H new ATOM 0 HG21 ILE A 89 5.639 7.643 2.015 1.00 1.00 H new ATOM 0 HG22 ILE A 89 6.884 6.877 0.999 1.00 1.00 H new ATOM 0 HG23 ILE A 89 5.447 7.608 0.246 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.113 5.380 2.973 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.391 4.164 2.740 1.00 1.00 H new ATOM 0 HD13 ILE A 89 3.743 5.665 3.627 1.00 1.00 H new ATOM 1281 N PRO A 90 6.532 5.339 -2.090 1.00 1.00 N ATOM 1282 CA PRO A 90 7.710 5.620 -2.893 1.00 1.00 C ATOM 1283 C PRO A 90 8.174 7.065 -2.699 1.00 1.00 C ATOM 1284 O PRO A 90 7.354 7.976 -2.602 1.00 1.00 O ATOM 1285 CB PRO A 90 7.293 5.318 -4.322 1.00 1.00 C ATOM 1286 CG PRO A 90 5.773 5.326 -4.324 1.00 1.00 C ATOM 1287 CD PRO A 90 5.305 5.279 -2.879 1.00 1.00 C ATOM 0 HA PRO A 90 8.569 5.013 -2.606 1.00 1.00 H new ATOM 0 HB2 PRO A 90 7.688 6.065 -5.010 1.00 1.00 H new ATOM 0 HB3 PRO A 90 7.679 4.351 -4.645 1.00 1.00 H new ATOM 0 HG2 PRO A 90 5.397 6.222 -4.818 1.00 1.00 H new ATOM 0 HG3 PRO A 90 5.387 4.470 -4.878 1.00 1.00 H new ATOM 0 HD2 PRO A 90 4.645 6.115 -2.649 1.00 1.00 H new ATOM 0 HD3 PRO A 90 4.746 4.366 -2.673 1.00 1.00 H new ATOM 1295 N GLU A 91 9.489 7.229 -2.648 1.00 1.00 N ATOM 1296 CA GLU A 91 10.071 8.548 -2.467 1.00 1.00 C ATOM 1297 C GLU A 91 10.321 8.818 -0.983 1.00 1.00 C ATOM 1298 O GLU A 91 10.302 9.968 -0.545 1.00 1.00 O ATOM 1299 CB GLU A 91 9.180 9.630 -3.080 1.00 1.00 C ATOM 1300 CG GLU A 91 8.254 10.238 -2.025 1.00 1.00 C ATOM 1301 CD GLU A 91 6.921 10.663 -2.645 1.00 1.00 C ATOM 1302 OE1 GLU A 91 6.758 10.423 -3.861 1.00 1.00 O ATOM 1303 OE2 GLU A 91 6.095 11.219 -1.889 1.00 1.00 O ATOM 0 H GLU A 91 10.167 6.471 -2.729 1.00 1.00 H new ATOM 0 HA GLU A 91 11.028 8.576 -2.987 1.00 1.00 H new ATOM 0 HB2 GLU A 91 9.800 10.412 -3.519 1.00 1.00 H new ATOM 0 HB3 GLU A 91 8.586 9.203 -3.888 1.00 1.00 H new ATOM 0 HG2 GLU A 91 8.075 9.513 -1.231 1.00 1.00 H new ATOM 0 HG3 GLU A 91 8.737 11.100 -1.566 1.00 1.00 H new ATOM 1310 N VAL A 92 10.551 7.740 -0.247 1.00 1.00 N ATOM 1311 CA VAL A 92 10.805 7.847 1.179 1.00 1.00 C ATOM 1312 C VAL A 92 11.680 6.674 1.627 1.00 1.00 C ATOM 1313 O VAL A 92 12.009 5.800 0.826 1.00 1.00 O ATOM 1314 CB VAL A 92 9.481 7.929 1.942 1.00 1.00 C ATOM 1315 CG1 VAL A 92 8.412 8.640 1.109 1.00 1.00 C ATOM 1316 CG2 VAL A 92 9.007 6.539 2.369 1.00 1.00 C ATOM 0 H VAL A 92 10.567 6.788 -0.612 1.00 1.00 H new ATOM 0 HA VAL A 92 11.351 8.764 1.401 1.00 1.00 H new ATOM 0 HB VAL A 92 9.650 8.517 2.844 1.00 1.00 H new ATOM 0 HG11 VAL A 92 7.481 8.685 1.674 1.00 1.00 H new ATOM 0 HG12 VAL A 92 8.745 9.652 0.877 1.00 1.00 H new ATOM 0 HG13 VAL A 92 8.248 8.090 0.182 1.00 1.00 H new ATOM 0 HG21 VAL A 92 8.064 6.626 2.909 1.00 1.00 H new ATOM 0 HG22 VAL A 92 8.863 5.916 1.486 1.00 1.00 H new ATOM 0 HG23 VAL A 92 9.755 6.082 3.017 1.00 1.00 H new ATOM 1326 N PRO A 93 12.041 6.694 2.938 1.00 1.00 N ATOM 1327 CA PRO A 93 12.872 5.644 3.501 1.00 1.00 C ATOM 1328 C PRO A 93 12.067 4.359 3.706 1.00 1.00 C ATOM 1329 O PRO A 93 11.286 4.256 4.651 1.00 1.00 O ATOM 1330 CB PRO A 93 13.411 6.222 4.799 1.00 1.00 C ATOM 1331 CG PRO A 93 12.500 7.388 5.146 1.00 1.00 C ATOM 1332 CD PRO A 93 11.670 7.714 3.914 1.00 1.00 C ATOM 0 HA PRO A 93 13.689 5.354 2.841 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.406 5.474 5.591 1.00 1.00 H new ATOM 0 HB3 PRO A 93 14.442 6.554 4.680 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.853 7.131 5.985 1.00 1.00 H new ATOM 0 HG3 PRO A 93 13.088 8.254 5.451 1.00 1.00 H new ATOM 0 HD2 PRO A 93 10.603 7.681 4.135 1.00 1.00 H new ATOM 0 HD3 PRO A 93 11.888 8.715 3.543 1.00 1.00 H new ATOM 1340 N TRP A 94 12.286 3.411 2.807 1.00 1.00 N ATOM 1341 CA TRP A 94 11.591 2.137 2.878 1.00 1.00 C ATOM 1342 C TRP A 94 12.152 1.358 4.069 1.00 1.00 C ATOM 1343 O TRP A 94 11.406 0.698 4.791 1.00 1.00 O ATOM 1344 CB TRP A 94 11.708 1.375 1.557 1.00 1.00 C ATOM 1345 CG TRP A 94 11.143 2.130 0.351 1.00 1.00 C ATOM 1346 CD1 TRP A 94 10.493 3.301 0.342 1.00 1.00 C ATOM 1347 CD2 TRP A 94 11.208 1.714 -1.030 1.00 1.00 C ATOM 1348 NE1 TRP A 94 10.133 3.669 -0.939 1.00 1.00 N ATOM 1349 CE2 TRP A 94 10.583 2.674 -1.799 1.00 1.00 C ATOM 1350 CE3 TRP A 94 11.776 0.567 -1.609 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 10.465 2.584 -3.191 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 11.650 0.490 -3.001 1.00 1.00 C ATOM 1353 CH2 TRP A 94 11.023 1.448 -3.790 1.00 1.00 C ATOM 0 H TRP A 94 12.935 3.500 2.025 1.00 1.00 H new ATOM 0 HA TRP A 94 10.523 2.288 3.033 1.00 1.00 H new ATOM 0 HB2 TRP A 94 12.758 1.149 1.372 1.00 1.00 H new ATOM 0 HB3 TRP A 94 11.188 0.422 1.652 1.00 1.00 H new ATOM 0 HD1 TRP A 94 10.278 3.884 1.225 1.00 1.00 H new ATOM 0 HE1 TRP A 94 9.630 4.515 -1.205 1.00 1.00 H new ATOM 0 HE3 TRP A 94 12.271 -0.196 -1.026 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 9.971 3.349 -3.771 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 12.069 -0.373 -3.497 1.00 1.00 H new ATOM 0 HH2 TRP A 94 10.967 1.316 -4.860 1.00 1.00 H new ATOM 1364 N CYS A 95 13.462 1.462 4.239 1.00 1.00 N ATOM 1365 CA CYS A 95 14.132 0.774 5.329 1.00 1.00 C ATOM 1366 C CYS A 95 14.187 1.720 6.531 1.00 1.00 C ATOM 1367 O CYS A 95 15.111 2.526 6.650 1.00 1.00 O ATOM 1368 CB CYS A 95 15.524 0.288 4.923 1.00 1.00 C ATOM 1369 SG CYS A 95 15.533 -1.170 3.815 1.00 1.00 S ATOM 0 H CYS A 95 14.077 2.013 3.640 1.00 1.00 H new ATOM 0 HA CYS A 95 13.571 -0.122 5.596 1.00 1.00 H new ATOM 0 HB2 CYS A 95 16.050 1.105 4.430 1.00 1.00 H new ATOM 0 HB3 CYS A 95 16.087 0.046 5.825 1.00 1.00 H new ATOM 1374 N PHE A 96 13.188 1.592 7.391 1.00 1.00 N ATOM 1375 CA PHE A 96 13.111 2.426 8.579 1.00 1.00 C ATOM 1376 C PHE A 96 13.301 1.592 9.847 1.00 1.00 C ATOM 1377 O PHE A 96 13.613 0.405 9.773 1.00 1.00 O ATOM 1378 CB PHE A 96 11.715 3.052 8.597 1.00 1.00 C ATOM 1379 CG PHE A 96 10.580 2.047 8.382 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.219 1.690 7.121 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.935 1.512 9.453 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.167 0.757 6.921 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.881 0.580 9.253 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.520 0.223 7.992 1.00 1.00 C ATOM 0 H PHE A 96 12.425 0.923 7.289 1.00 1.00 H new ATOM 0 HA PHE A 96 13.895 3.183 8.554 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.566 3.555 9.553 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.661 3.817 7.823 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.732 2.116 6.271 1.00 1.00 H new ATOM 0 HD2 PHE A 96 10.223 1.795 10.455 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.881 0.472 5.919 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.367 0.155 10.103 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.719 -0.485 7.840 1.00 1.00 H new ATOM 1394 N PHE A 97 13.105 2.248 10.982 1.00 1.00 N ATOM 1395 CA PHE A 97 13.250 1.582 12.265 1.00 1.00 C ATOM 1396 C PHE A 97 11.883 1.270 12.880 1.00 1.00 C ATOM 1397 O PHE A 97 10.873 1.844 12.478 1.00 1.00 O ATOM 1398 CB PHE A 97 14.002 2.544 13.186 1.00 1.00 C ATOM 1399 CG PHE A 97 15.446 2.814 12.759 1.00 1.00 C ATOM 1400 CD1 PHE A 97 15.705 3.687 11.749 1.00 1.00 C ATOM 1401 CD2 PHE A 97 16.472 2.179 13.389 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.045 3.936 11.352 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.812 2.430 12.992 1.00 1.00 C ATOM 1404 CZ PHE A 97 18.070 3.302 11.982 1.00 1.00 C ATOM 0 H PHE A 97 12.847 3.233 11.039 1.00 1.00 H new ATOM 0 HA PHE A 97 13.784 0.640 12.136 1.00 1.00 H new ATOM 0 HB2 PHE A 97 13.462 3.490 13.224 1.00 1.00 H new ATOM 0 HB3 PHE A 97 14.003 2.137 14.197 1.00 1.00 H new ATOM 0 HD1 PHE A 97 14.891 4.191 11.249 1.00 1.00 H new ATOM 0 HD2 PHE A 97 16.267 1.485 14.190 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.250 4.629 10.550 1.00 1.00 H new ATOM 0 HE2 PHE A 97 18.626 1.928 13.493 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.089 3.492 11.680 1.00 1.00 H new ATOM 1414 N PRO A 98 11.898 0.337 13.869 1.00 1.00 N ATOM 1415 CA PRO A 98 10.672 -0.057 14.542 1.00 1.00 C ATOM 1416 C PRO A 98 10.212 1.024 15.521 1.00 1.00 C ATOM 1417 O PRO A 98 11.013 1.553 16.290 1.00 1.00 O ATOM 1418 CB PRO A 98 11.006 -1.374 15.226 1.00 1.00 C ATOM 1419 CG PRO A 98 12.522 -1.433 15.298 1.00 1.00 C ATOM 1420 CD PRO A 98 13.076 -0.363 14.371 1.00 1.00 C ATOM 0 HA PRO A 98 9.835 -0.180 13.854 1.00 1.00 H new ATOM 0 HB2 PRO A 98 10.566 -1.419 16.222 1.00 1.00 H new ATOM 0 HB3 PRO A 98 10.609 -2.218 14.663 1.00 1.00 H new ATOM 0 HG2 PRO A 98 12.862 -1.266 16.320 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.880 -2.418 15.000 1.00 1.00 H new ATOM 0 HD2 PRO A 98 13.743 0.315 14.903 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.652 -0.803 13.557 1.00 1.00 H new ATOM 1428 N MET A 99 8.922 1.322 15.461 1.00 1.00 N ATOM 1429 CA MET A 99 8.345 2.331 16.332 1.00 1.00 C ATOM 1430 C MET A 99 8.457 1.917 17.800 1.00 1.00 C ATOM 1431 O MET A 99 8.783 2.737 18.657 1.00 1.00 O ATOM 1432 CB MET A 99 6.872 2.536 15.971 1.00 1.00 C ATOM 1433 CG MET A 99 6.105 1.214 16.025 1.00 1.00 C ATOM 1434 SD MET A 99 4.572 1.360 15.122 1.00 1.00 S ATOM 1435 CE MET A 99 4.172 -0.367 14.908 1.00 1.00 C ATOM 0 H MET A 99 8.260 0.882 14.822 1.00 1.00 H new ATOM 0 HA MET A 99 8.896 3.261 16.193 1.00 1.00 H new ATOM 0 HB2 MET A 99 6.421 3.250 16.660 1.00 1.00 H new ATOM 0 HB3 MET A 99 6.795 2.965 14.972 1.00 1.00 H new ATOM 0 HG2 MET A 99 6.712 0.414 15.600 1.00 1.00 H new ATOM 0 HG3 MET A 99 5.902 0.944 17.061 1.00 1.00 H new ATOM 0 HE1 MET A 99 3.117 -0.527 15.133 1.00 1.00 H new ATOM 0 HE2 MET A 99 4.372 -0.662 13.878 1.00 1.00 H new ATOM 0 HE3 MET A 99 4.782 -0.968 15.582 1.00 1.00 H new ATOM 1445 N SER A 100 8.183 0.645 18.046 1.00 1.00 N ATOM 1446 CA SER A 100 8.249 0.111 19.397 1.00 1.00 C ATOM 1447 C SER A 100 7.235 0.826 20.291 1.00 1.00 C ATOM 1448 O SER A 100 7.598 1.718 21.058 1.00 1.00 O ATOM 1449 CB SER A 100 9.659 0.251 19.974 1.00 1.00 C ATOM 1450 OG SER A 100 10.475 1.115 19.188 1.00 1.00 O ATOM 0 H SER A 100 7.914 -0.033 17.333 1.00 1.00 H new ATOM 0 HA SER A 100 8.005 -0.951 19.360 1.00 1.00 H new ATOM 0 HB2 SER A 100 9.597 0.637 20.991 1.00 1.00 H new ATOM 0 HB3 SER A 100 10.125 -0.732 20.034 1.00 1.00 H new ATOM 0 HG SER A 100 10.196 2.044 19.326 1.00 1.00 H new ATOM 1456 N VAL A 101 5.984 0.409 20.165 1.00 1.00 N ATOM 1457 CA VAL A 101 4.915 0.998 20.953 1.00 1.00 C ATOM 1458 C VAL A 101 3.984 -0.109 21.451 1.00 1.00 C ATOM 1459 O VAL A 101 4.232 -0.712 22.493 1.00 1.00 O ATOM 1460 CB VAL A 101 4.188 2.067 20.133 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.899 3.417 20.240 1.00 1.00 C ATOM 1462 CG2 VAL A 101 4.048 1.635 18.672 1.00 1.00 C ATOM 0 H VAL A 101 5.687 -0.330 19.528 1.00 1.00 H new ATOM 0 HA VAL A 101 5.321 1.501 21.831 1.00 1.00 H new ATOM 0 HB VAL A 101 3.186 2.183 20.546 1.00 1.00 H new ATOM 0 HG11 VAL A 101 4.362 4.159 19.648 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.924 3.733 21.283 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.918 3.322 19.865 1.00 1.00 H new ATOM 0 HG21 VAL A 101 3.528 2.412 18.111 1.00 1.00 H new ATOM 0 HG22 VAL A 101 5.037 1.478 18.243 1.00 1.00 H new ATOM 0 HG23 VAL A 101 3.478 0.707 18.620 1.00 1.00 H new ATOM 1472 N GLU A 102 2.931 -0.344 20.681 1.00 1.00 N ATOM 1473 CA GLU A 102 1.962 -1.368 21.030 1.00 1.00 C ATOM 1474 C GLU A 102 0.799 -0.754 21.812 1.00 1.00 C ATOM 1475 O GLU A 102 -0.281 -1.338 21.887 1.00 1.00 O ATOM 1476 CB GLU A 102 2.621 -2.498 21.824 1.00 1.00 C ATOM 1477 CG GLU A 102 1.933 -3.836 21.546 1.00 1.00 C ATOM 1478 CD GLU A 102 2.242 -4.851 22.649 1.00 1.00 C ATOM 1479 OE1 GLU A 102 3.293 -5.518 22.528 1.00 1.00 O ATOM 1480 OE2 GLU A 102 1.420 -4.937 23.587 1.00 1.00 O ATOM 0 H GLU A 102 2.728 0.158 19.816 1.00 1.00 H new ATOM 0 HA GLU A 102 1.568 -1.797 20.109 1.00 1.00 H new ATOM 0 HB2 GLU A 102 3.676 -2.566 21.560 1.00 1.00 H new ATOM 0 HB3 GLU A 102 2.573 -2.275 22.890 1.00 1.00 H new ATOM 0 HG2 GLU A 102 0.856 -3.687 21.475 1.00 1.00 H new ATOM 0 HG3 GLU A 102 2.265 -4.227 20.584 1.00 1.00 H new ATOM 1487 N ASP A 103 1.059 0.417 22.375 1.00 1.00 N ATOM 1488 CA ASP A 103 0.047 1.117 23.148 1.00 1.00 C ATOM 1489 C ASP A 103 -1.029 1.654 22.203 1.00 1.00 C ATOM 1490 O ASP A 103 -2.070 2.133 22.651 1.00 1.00 O ATOM 1491 CB ASP A 103 0.653 2.304 23.900 1.00 1.00 C ATOM 1492 CG ASP A 103 1.552 1.933 25.080 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.451 0.768 25.526 1.00 1.00 O ATOM 1494 OD2 ASP A 103 2.321 2.820 25.510 1.00 1.00 O ATOM 0 H ASP A 103 1.956 0.899 22.311 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.377 0.414 23.865 1.00 1.00 H new ATOM 0 HB2 ASP A 103 1.232 2.903 23.197 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -0.157 2.935 24.265 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.742 1.558 20.913 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.673 2.028 19.903 1.00 1.00 C ATOM 1501 C CYS A 104 -3.085 1.615 20.320 1.00 1.00 C ATOM 1502 O CYS A 104 -4.015 2.418 20.256 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.311 1.501 18.512 1.00 1.00 C ATOM 1504 SG CYS A 104 0.463 1.622 18.082 1.00 1.00 S ATOM 0 H CYS A 104 0.123 1.161 20.545 1.00 1.00 H new ATOM 0 HA CYS A 104 -1.620 3.115 19.834 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.616 0.457 18.444 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.889 2.051 17.769 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.202 0.363 20.737 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.486 -0.167 21.166 1.00 1.00 C ATOM 1511 C HIS A 105 -5.597 0.409 20.286 1.00 1.00 C ATOM 1512 O HIS A 105 -5.353 0.793 19.143 1.00 1.00 O ATOM 1513 CB HIS A 105 -4.713 0.097 22.656 1.00 1.00 C ATOM 1514 CG HIS A 105 -4.838 1.560 23.009 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.656 2.432 22.311 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -4.243 2.294 23.992 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.549 3.634 22.858 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -4.673 3.546 23.899 1.00 1.00 N ATOM 0 H HIS A 105 -2.429 -0.300 20.787 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.496 -1.250 21.043 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.618 -0.421 22.972 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -3.886 -0.333 23.221 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -3.541 1.920 24.722 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -6.065 4.526 22.536 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -4.394 4.316 24.507 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.794 0.452 20.852 1.00 1.00 N ATOM 1527 CA TYR A 106 -7.944 0.974 20.134 1.00 1.00 C ATOM 1528 C TYR A 106 -8.795 1.868 21.038 1.00 1.00 C ATOM 1529 O TYR A 106 -9.906 1.498 21.416 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.771 -0.245 19.719 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.029 -1.215 18.796 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.086 -2.078 19.317 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -8.303 -1.226 17.444 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.389 -2.991 18.449 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -7.605 -2.138 16.576 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.683 -2.976 17.121 1.00 1.00 C ATOM 1537 OH TYR A 106 -6.024 -3.838 16.301 1.00 1.00 O ATOM 0 H TYR A 106 -6.992 0.134 21.800 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.624 1.573 19.281 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.085 -0.780 20.615 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.677 0.097 19.218 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -6.871 -2.068 20.375 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -9.041 -0.551 17.037 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -5.650 -3.672 18.843 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -7.809 -2.156 15.516 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.361 -4.341 16.819 1.00 1.00 H new