USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -1.73 K(o=-2.2,f=-3.2) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.551 X(o=-2.2,f=-1.9) USER MOD Set 1.3: A 91 TYR OH : rot 115:sc= 0.0453 USER MOD Set 2.1: A 26 CYS SG : rot 175:sc= -2.73! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.56 X(o=-3.2,f=-3.3) USER MOD Set 2.3: A 53 TYR OH : rot 36:sc= 0.0946 USER MOD Set 3.1: A 8 MET CE :methyl 143:sc= -0.725 (180deg=-2.73!) USER MOD Set 3.2: A 11 LYS NZ :NH3+ 170:sc= -0.118 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0706 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.73 K(o=-0.73,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= -0.11 (180deg=-0.542) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.983) USER MOD Single : A 19 GLN : amide:sc= -0.192 K(o=-0.19,f=-3!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -2.61 (180deg=-6.24!) USER MOD Single : A 37 CYS SG : rot -29:sc= -2.61 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -101:sc= -0.334 (180deg=-2.04!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 80:sc=-0.00396 USER MOD Single : A 52 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.056) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.000917) USER MOD Single : A 59 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.19) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 1.64 (180deg=1.15) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 76 ASN : amide:sc= -4.84! C(o=-4.8!,f=-3.5!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.158 (180deg=-0.844) USER MOD Single : A 87 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 88 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.58) USER MOD Single : A 90 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -174:sc= 0 (180deg=-0.0737) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.238 9.209 -26.262 1.00 0.00 N ATOM 2 CA GLY A 1 12.630 10.495 -25.716 1.00 0.00 C ATOM 3 C GLY A 1 12.193 10.671 -24.276 1.00 0.00 C ATOM 4 O GLY A 1 11.817 9.706 -23.611 1.00 0.00 O ATOM 0 H1 GLY A 1 13.007 8.833 -26.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.043 8.546 -25.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.382 9.324 -26.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.713 10.598 -25.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.199 11.291 -26.323 1.00 0.00 H new ATOM 8 N SER A 2 12.242 11.908 -23.791 1.00 0.00 N ATOM 9 CA SER A 2 11.853 12.207 -22.417 1.00 0.00 C ATOM 10 C SER A 2 10.923 13.415 -22.367 1.00 0.00 C ATOM 11 O SER A 2 9.872 13.377 -21.728 1.00 0.00 O ATOM 12 CB SER A 2 13.093 12.467 -21.559 1.00 0.00 C ATOM 13 OG SER A 2 12.769 12.458 -20.179 1.00 0.00 O ATOM 0 H SER A 2 12.547 12.719 -24.329 1.00 0.00 H new ATOM 0 HA SER A 2 11.320 11.343 -22.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.847 11.707 -21.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.530 13.429 -21.827 1.00 0.00 H new ATOM 0 HG SER A 2 13.578 12.625 -19.652 1.00 0.00 H new ATOM 19 N SER A 3 11.318 14.487 -23.046 1.00 0.00 N ATOM 20 CA SER A 3 10.523 15.709 -23.077 1.00 0.00 C ATOM 21 C SER A 3 9.858 15.958 -21.726 1.00 0.00 C ATOM 22 O SER A 3 8.690 16.338 -21.658 1.00 0.00 O ATOM 23 CB SER A 3 9.460 15.623 -24.173 1.00 0.00 C ATOM 24 OG SER A 3 10.052 15.646 -25.461 1.00 0.00 O ATOM 0 H SER A 3 12.184 14.534 -23.582 1.00 0.00 H new ATOM 0 HA SER A 3 11.191 16.543 -23.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.881 14.707 -24.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.763 16.456 -24.075 1.00 0.00 H new ATOM 0 HG SER A 3 9.352 15.588 -26.144 1.00 0.00 H new ATOM 30 N GLY A 4 10.612 15.740 -20.653 1.00 0.00 N ATOM 31 CA GLY A 4 10.080 15.946 -19.319 1.00 0.00 C ATOM 32 C GLY A 4 10.957 16.853 -18.478 1.00 0.00 C ATOM 33 O GLY A 4 12.012 17.299 -18.928 1.00 0.00 O ATOM 0 H GLY A 4 11.581 15.424 -20.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.082 16.377 -19.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.975 14.982 -18.820 1.00 0.00 H new ATOM 37 N SER A 5 10.518 17.130 -17.254 1.00 0.00 N ATOM 38 CA SER A 5 11.267 17.995 -16.351 1.00 0.00 C ATOM 39 C SER A 5 11.857 17.193 -15.195 1.00 0.00 C ATOM 40 O SER A 5 11.373 16.109 -14.866 1.00 0.00 O ATOM 41 CB SER A 5 10.365 19.105 -15.809 1.00 0.00 C ATOM 42 OG SER A 5 9.222 18.566 -15.169 1.00 0.00 O ATOM 0 H SER A 5 9.647 16.768 -16.865 1.00 0.00 H new ATOM 0 HA SER A 5 12.086 18.444 -16.913 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.924 19.720 -15.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.055 19.757 -16.625 1.00 0.00 H new ATOM 0 HG SER A 5 8.662 19.296 -14.830 1.00 0.00 H new ATOM 48 N SER A 6 12.904 17.733 -14.581 1.00 0.00 N ATOM 49 CA SER A 6 13.563 17.067 -13.463 1.00 0.00 C ATOM 50 C SER A 6 13.911 18.066 -12.364 1.00 0.00 C ATOM 51 O SER A 6 13.692 19.268 -12.510 1.00 0.00 O ATOM 52 CB SER A 6 14.831 16.356 -13.941 1.00 0.00 C ATOM 53 OG SER A 6 15.781 17.285 -14.434 1.00 0.00 O ATOM 0 H SER A 6 13.315 18.630 -14.839 1.00 0.00 H new ATOM 0 HA SER A 6 12.873 16.329 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.266 15.788 -13.118 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.578 15.640 -14.723 1.00 0.00 H new ATOM 0 HG SER A 6 16.583 16.806 -14.732 1.00 0.00 H new ATOM 59 N GLY A 7 14.454 17.559 -11.262 1.00 0.00 N ATOM 60 CA GLY A 7 14.824 18.419 -10.153 1.00 0.00 C ATOM 61 C GLY A 7 13.621 18.895 -9.363 1.00 0.00 C ATOM 62 O GLY A 7 12.498 18.893 -9.867 1.00 0.00 O ATOM 0 H GLY A 7 14.644 16.567 -11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.501 17.880 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.370 19.282 -10.533 1.00 0.00 H new ATOM 66 N MET A 8 13.855 19.303 -8.120 1.00 0.00 N ATOM 67 CA MET A 8 12.781 19.784 -7.259 1.00 0.00 C ATOM 68 C MET A 8 13.327 20.702 -6.170 1.00 0.00 C ATOM 69 O MET A 8 14.331 20.392 -5.530 1.00 0.00 O ATOM 70 CB MET A 8 12.041 18.605 -6.624 1.00 0.00 C ATOM 71 CG MET A 8 10.576 18.891 -6.338 1.00 0.00 C ATOM 72 SD MET A 8 9.603 19.106 -7.841 1.00 0.00 S ATOM 73 CE MET A 8 8.927 20.743 -7.575 1.00 0.00 C ATOM 0 H MET A 8 14.778 19.310 -7.687 1.00 0.00 H new ATOM 0 HA MET A 8 12.084 20.353 -7.874 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.112 17.743 -7.287 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.538 18.333 -5.693 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.158 18.072 -5.753 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.498 19.791 -5.728 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.889 21.280 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.920 20.659 -7.165 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.559 21.288 -6.874 1.00 0.00 H new ATOM 83 N ALA A 9 12.659 21.833 -5.965 1.00 0.00 N ATOM 84 CA ALA A 9 13.077 22.794 -4.953 1.00 0.00 C ATOM 85 C ALA A 9 12.353 22.551 -3.633 1.00 0.00 C ATOM 86 O ALA A 9 11.312 21.896 -3.579 1.00 0.00 O ATOM 87 CB ALA A 9 12.828 24.214 -5.439 1.00 0.00 C ATOM 0 H ALA A 9 11.826 22.105 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 9 14.145 22.662 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.145 24.922 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.395 24.390 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.765 24.349 -5.640 1.00 0.00 H new ATOM 93 N PRO A 10 12.916 23.089 -2.540 1.00 0.00 N ATOM 94 CA PRO A 10 12.341 22.943 -1.200 1.00 0.00 C ATOM 95 C PRO A 10 11.043 23.727 -1.037 1.00 0.00 C ATOM 96 O PRO A 10 11.054 24.956 -0.962 1.00 0.00 O ATOM 97 CB PRO A 10 13.427 23.511 -0.284 1.00 0.00 C ATOM 98 CG PRO A 10 14.189 24.461 -1.143 1.00 0.00 C ATOM 99 CD PRO A 10 14.157 23.881 -2.530 1.00 0.00 C ATOM 0 HA PRO A 10 12.077 21.908 -0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.993 24.018 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.072 22.722 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.737 25.453 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.214 24.571 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.142 24.661 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.031 23.260 -2.726 1.00 0.00 H new ATOM 107 N LYS A 11 9.926 23.010 -0.983 1.00 0.00 N ATOM 108 CA LYS A 11 8.620 23.637 -0.827 1.00 0.00 C ATOM 109 C LYS A 11 8.121 23.508 0.608 1.00 0.00 C ATOM 110 O LYS A 11 8.686 22.759 1.405 1.00 0.00 O ATOM 111 CB LYS A 11 7.610 23.006 -1.788 1.00 0.00 C ATOM 112 CG LYS A 11 7.860 23.350 -3.246 1.00 0.00 C ATOM 113 CD LYS A 11 7.012 22.496 -4.174 1.00 0.00 C ATOM 114 CE LYS A 11 7.598 21.103 -4.341 1.00 0.00 C ATOM 115 NZ LYS A 11 6.623 20.161 -4.956 1.00 0.00 N ATOM 0 H LYS A 11 9.900 21.992 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 11 8.724 24.696 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.636 21.923 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.607 23.332 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.638 24.404 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.915 23.205 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.000 22.421 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.937 22.979 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.492 21.157 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.908 20.721 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.107 19.276 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.861 19.958 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.218 20.590 -5.812 1.00 0.00 H new ATOM 129 N GLN A 12 7.060 24.240 0.930 1.00 0.00 N ATOM 130 CA GLN A 12 6.486 24.205 2.270 1.00 0.00 C ATOM 131 C GLN A 12 5.976 22.808 2.607 1.00 0.00 C ATOM 132 O GLN A 12 5.673 22.510 3.763 1.00 0.00 O ATOM 133 CB GLN A 12 5.346 25.219 2.386 1.00 0.00 C ATOM 134 CG GLN A 12 5.137 25.741 3.798 1.00 0.00 C ATOM 135 CD GLN A 12 4.212 24.860 4.615 1.00 0.00 C ATOM 136 OE1 GLN A 12 4.651 24.154 5.523 1.00 0.00 O ATOM 137 NE2 GLN A 12 2.924 24.897 4.295 1.00 0.00 N ATOM 0 H GLN A 12 6.580 24.864 0.282 1.00 0.00 H new ATOM 0 HA GLN A 12 7.270 24.467 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.550 26.060 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.422 24.756 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.101 25.814 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.725 26.749 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.604 25.497 3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.254 24.325 4.809 1.00 0.00 H new ATOM 146 N ASP A 13 5.884 21.956 1.592 1.00 0.00 N ATOM 147 CA ASP A 13 5.412 20.590 1.782 1.00 0.00 C ATOM 148 C ASP A 13 6.584 19.625 1.931 1.00 0.00 C ATOM 149 O ASP A 13 7.649 19.808 1.342 1.00 0.00 O ATOM 150 CB ASP A 13 4.532 20.164 0.605 1.00 0.00 C ATOM 151 CG ASP A 13 5.251 20.272 -0.725 1.00 0.00 C ATOM 152 OD1 ASP A 13 6.442 19.902 -0.786 1.00 0.00 O ATOM 153 OD2 ASP A 13 4.624 20.728 -1.704 1.00 0.00 O ATOM 0 H ASP A 13 6.130 22.187 0.630 1.00 0.00 H new ATOM 0 HA ASP A 13 4.822 20.560 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.203 19.135 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.636 20.785 0.582 1.00 0.00 H new ATOM 158 N PRO A 14 6.386 18.573 2.740 1.00 0.00 N ATOM 159 CA PRO A 14 7.416 17.560 2.986 1.00 0.00 C ATOM 160 C PRO A 14 7.681 16.692 1.760 1.00 0.00 C ATOM 161 O PRO A 14 6.964 16.774 0.762 1.00 0.00 O ATOM 162 CB PRO A 14 6.821 16.718 4.118 1.00 0.00 C ATOM 163 CG PRO A 14 5.347 16.894 3.987 1.00 0.00 C ATOM 164 CD PRO A 14 5.141 18.292 3.475 1.00 0.00 C ATOM 0 HA PRO A 14 8.379 18.009 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.104 15.670 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.175 17.057 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.926 16.161 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.850 16.753 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.268 18.358 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.987 19.000 4.290 1.00 0.00 H new ATOM 172 N LYS A 15 8.714 15.861 1.842 1.00 0.00 N ATOM 173 CA LYS A 15 9.073 14.976 0.740 1.00 0.00 C ATOM 174 C LYS A 15 8.826 13.517 1.111 1.00 0.00 C ATOM 175 O LYS A 15 9.203 13.053 2.188 1.00 0.00 O ATOM 176 CB LYS A 15 10.541 15.175 0.357 1.00 0.00 C ATOM 177 CG LYS A 15 10.839 14.856 -1.098 1.00 0.00 C ATOM 178 CD LYS A 15 11.166 13.385 -1.291 1.00 0.00 C ATOM 179 CE LYS A 15 12.099 13.172 -2.473 1.00 0.00 C ATOM 180 NZ LYS A 15 13.440 13.776 -2.236 1.00 0.00 N ATOM 0 H LYS A 15 9.318 15.782 2.660 1.00 0.00 H new ATOM 0 HA LYS A 15 8.444 15.226 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.824 16.208 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.162 14.545 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.979 15.122 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.677 15.464 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.629 12.992 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.245 12.824 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.210 12.104 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.657 13.609 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.155 13.261 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.428 14.774 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.674 13.716 -1.224 1.00 0.00 H new ATOM 194 N PRO A 16 8.180 12.775 0.200 1.00 0.00 N ATOM 195 CA PRO A 16 7.871 11.357 0.409 1.00 0.00 C ATOM 196 C PRO A 16 9.119 10.481 0.381 1.00 0.00 C ATOM 197 O PRO A 16 10.093 10.792 -0.306 1.00 0.00 O ATOM 198 CB PRO A 16 6.953 11.017 -0.768 1.00 0.00 C ATOM 199 CG PRO A 16 7.314 12.001 -1.827 1.00 0.00 C ATOM 200 CD PRO A 16 7.702 13.262 -1.105 1.00 0.00 C ATOM 0 HA PRO A 16 7.420 11.178 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.109 9.994 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.903 11.103 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.138 11.632 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.474 12.178 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.479 13.808 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.855 13.939 -0.995 1.00 0.00 H new ATOM 208 N LYS A 17 9.084 9.385 1.131 1.00 0.00 N ATOM 209 CA LYS A 17 10.212 8.462 1.191 1.00 0.00 C ATOM 210 C LYS A 17 10.199 7.509 0.001 1.00 0.00 C ATOM 211 O LYS A 17 11.228 7.280 -0.635 1.00 0.00 O ATOM 212 CB LYS A 17 10.175 7.666 2.497 1.00 0.00 C ATOM 213 CG LYS A 17 10.496 8.498 3.727 1.00 0.00 C ATOM 214 CD LYS A 17 10.573 7.638 4.978 1.00 0.00 C ATOM 215 CE LYS A 17 11.261 8.373 6.118 1.00 0.00 C ATOM 216 NZ LYS A 17 10.426 9.488 6.643 1.00 0.00 N ATOM 0 H LYS A 17 8.287 9.114 1.706 1.00 0.00 H new ATOM 0 HA LYS A 17 11.131 9.047 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.185 7.225 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.886 6.842 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.445 9.014 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.733 9.265 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.568 7.349 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.116 6.719 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.478 7.672 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.217 8.767 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.799 9.798 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.449 10.284 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.445 9.162 6.759 1.00 0.00 H new ATOM 230 N PHE A 18 9.027 6.956 -0.296 1.00 0.00 N ATOM 231 CA PHE A 18 8.881 6.028 -1.411 1.00 0.00 C ATOM 232 C PHE A 18 8.630 6.779 -2.715 1.00 0.00 C ATOM 233 O PHE A 18 8.419 7.991 -2.714 1.00 0.00 O ATOM 234 CB PHE A 18 7.733 5.052 -1.142 1.00 0.00 C ATOM 235 CG PHE A 18 7.797 4.410 0.214 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.289 5.059 1.328 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.365 3.156 0.375 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.348 4.470 2.577 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.427 2.563 1.622 1.00 0.00 C ATOM 240 CZ PHE A 18 7.916 3.220 2.724 1.00 0.00 C ATOM 0 H PHE A 18 8.165 7.135 0.220 1.00 0.00 H new ATOM 0 HA PHE A 18 9.811 5.467 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.786 5.582 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.743 4.273 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.842 6.036 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.764 2.636 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.950 4.987 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.875 1.587 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.961 2.757 3.699 1.00 0.00 H new ATOM 250 N GLN A 19 8.655 6.049 -3.826 1.00 0.00 N ATOM 251 CA GLN A 19 8.432 6.646 -5.137 1.00 0.00 C ATOM 252 C GLN A 19 7.307 5.930 -5.877 1.00 0.00 C ATOM 253 O GLN A 19 6.780 4.925 -5.401 1.00 0.00 O ATOM 254 CB GLN A 19 9.716 6.600 -5.967 1.00 0.00 C ATOM 255 CG GLN A 19 10.653 7.767 -5.703 1.00 0.00 C ATOM 256 CD GLN A 19 10.239 9.026 -6.439 1.00 0.00 C ATOM 257 OE1 GLN A 19 9.083 9.445 -6.374 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.183 9.638 -7.144 1.00 0.00 N ATOM 0 H GLN A 19 8.827 5.044 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 19 8.141 7.686 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.241 5.668 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.455 6.587 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.682 7.970 -4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.664 7.491 -6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.128 9.256 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.963 10.490 -7.659 1.00 0.00 H new ATOM 267 N GLU A 20 6.945 6.454 -7.044 1.00 0.00 N ATOM 268 CA GLU A 20 5.882 5.864 -7.849 1.00 0.00 C ATOM 269 C GLU A 20 6.413 4.702 -8.684 1.00 0.00 C ATOM 270 O GLU A 20 7.411 4.836 -9.391 1.00 0.00 O ATOM 271 CB GLU A 20 5.258 6.920 -8.763 1.00 0.00 C ATOM 272 CG GLU A 20 4.684 8.111 -8.015 1.00 0.00 C ATOM 273 CD GLU A 20 4.762 9.396 -8.815 1.00 0.00 C ATOM 274 OE1 GLU A 20 3.836 9.658 -9.610 1.00 0.00 O ATOM 275 OE2 GLU A 20 5.751 10.141 -8.646 1.00 0.00 O ATOM 0 H GLU A 20 7.372 7.285 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 20 5.118 5.483 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.014 7.273 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.467 6.456 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.644 7.908 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.222 8.239 -7.076 1.00 0.00 H new ATOM 282 N GLY A 21 5.737 3.560 -8.596 1.00 0.00 N ATOM 283 CA GLY A 21 6.155 2.391 -9.347 1.00 0.00 C ATOM 284 C GLY A 21 7.126 1.521 -8.573 1.00 0.00 C ATOM 285 O GLY A 21 7.796 0.664 -9.149 1.00 0.00 O ATOM 0 H GLY A 21 4.908 3.424 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.278 1.802 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.621 2.710 -10.279 1.00 0.00 H new ATOM 289 N GLU A 22 7.204 1.743 -7.264 1.00 0.00 N ATOM 290 CA GLU A 22 8.103 0.974 -6.412 1.00 0.00 C ATOM 291 C GLU A 22 7.318 0.029 -5.507 1.00 0.00 C ATOM 292 O GLU A 22 6.465 0.461 -4.732 1.00 0.00 O ATOM 293 CB GLU A 22 8.964 1.912 -5.564 1.00 0.00 C ATOM 294 CG GLU A 22 9.718 1.206 -4.450 1.00 0.00 C ATOM 295 CD GLU A 22 10.734 2.104 -3.771 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.829 2.297 -4.339 1.00 0.00 O ATOM 297 OE2 GLU A 22 10.433 2.615 -2.672 1.00 0.00 O ATOM 0 H GLU A 22 6.656 2.448 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 22 8.752 0.379 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.680 2.419 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.327 2.682 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.006 0.843 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.226 0.332 -4.858 1.00 0.00 H new ATOM 304 N ARG A 23 7.614 -1.263 -5.611 1.00 0.00 N ATOM 305 CA ARG A 23 6.935 -2.269 -4.804 1.00 0.00 C ATOM 306 C ARG A 23 6.925 -1.870 -3.332 1.00 0.00 C ATOM 307 O ARG A 23 7.934 -1.411 -2.795 1.00 0.00 O ATOM 308 CB ARG A 23 7.615 -3.630 -4.970 1.00 0.00 C ATOM 309 CG ARG A 23 6.677 -4.808 -4.771 1.00 0.00 C ATOM 310 CD ARG A 23 7.367 -6.128 -5.077 1.00 0.00 C ATOM 311 NE ARG A 23 8.623 -6.271 -4.345 1.00 0.00 N ATOM 312 CZ ARG A 23 9.797 -5.863 -4.813 1.00 0.00 C ATOM 313 NH1 ARG A 23 9.875 -5.289 -6.006 1.00 0.00 N ATOM 314 NH2 ARG A 23 10.896 -6.028 -4.088 1.00 0.00 N ATOM 0 H ARG A 23 8.319 -1.637 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 23 5.904 -2.340 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.052 -3.689 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.436 -3.706 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.314 -4.816 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.806 -4.694 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.702 -6.953 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.561 -6.196 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 23 8.597 -6.708 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.032 -5.160 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.778 -4.976 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.840 -6.469 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.797 -5.714 -4.449 1.00 0.00 H new ATOM 328 N VAL A 24 5.778 -2.046 -2.684 1.00 0.00 N ATOM 329 CA VAL A 24 5.637 -1.705 -1.273 1.00 0.00 C ATOM 330 C VAL A 24 4.513 -2.505 -0.624 1.00 0.00 C ATOM 331 O VAL A 24 3.619 -3.007 -1.307 1.00 0.00 O ATOM 332 CB VAL A 24 5.358 -0.202 -1.085 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.579 0.620 -1.466 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.145 0.220 -1.900 1.00 0.00 C ATOM 0 H VAL A 24 4.933 -2.423 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 24 6.582 -1.955 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 24 5.142 -0.019 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.363 1.679 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.421 0.335 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.830 0.436 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.962 1.285 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.330 0.024 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.272 -0.346 -1.573 1.00 0.00 H new ATOM 344 N LEU A 25 4.563 -2.619 0.698 1.00 0.00 N ATOM 345 CA LEU A 25 3.548 -3.358 1.441 1.00 0.00 C ATOM 346 C LEU A 25 2.624 -2.406 2.194 1.00 0.00 C ATOM 347 O LEU A 25 3.077 -1.596 3.003 1.00 0.00 O ATOM 348 CB LEU A 25 4.210 -4.327 2.423 1.00 0.00 C ATOM 349 CG LEU A 25 5.041 -5.450 1.800 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.950 -6.082 2.842 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.134 -6.499 1.173 1.00 0.00 C ATOM 0 H LEU A 25 5.295 -2.209 1.278 1.00 0.00 H new ATOM 0 HA LEU A 25 2.952 -3.926 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.853 -3.754 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.431 -4.777 3.039 1.00 0.00 H new ATOM 0 HG LEU A 25 5.665 -5.022 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.533 -6.879 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.624 -5.325 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.346 -6.496 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.742 -7.290 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.484 -6.923 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.525 -6.036 0.396 1.00 0.00 H new ATOM 363 N CYS A 26 1.328 -2.512 1.925 1.00 0.00 N ATOM 364 CA CYS A 26 0.339 -1.662 2.578 1.00 0.00 C ATOM 365 C CYS A 26 -0.302 -2.382 3.760 1.00 0.00 C ATOM 366 O CYS A 26 -0.403 -3.609 3.772 1.00 0.00 O ATOM 367 CB CYS A 26 -0.739 -1.237 1.579 1.00 0.00 C ATOM 368 SG CYS A 26 -2.279 -0.682 2.347 1.00 0.00 S ATOM 0 H CYS A 26 0.937 -3.178 1.259 1.00 0.00 H new ATOM 0 HA CYS A 26 0.850 -0.774 2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.346 -0.433 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.957 -2.075 0.917 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.088 -0.243 1.429 1.00 0.00 H new ATOM 374 N PHE A 27 -0.731 -1.611 4.753 1.00 0.00 N ATOM 375 CA PHE A 27 -1.360 -2.175 5.942 1.00 0.00 C ATOM 376 C PHE A 27 -2.877 -2.033 5.875 1.00 0.00 C ATOM 377 O PHE A 27 -3.424 -0.959 6.132 1.00 0.00 O ATOM 378 CB PHE A 27 -0.827 -1.488 7.201 1.00 0.00 C ATOM 379 CG PHE A 27 0.390 -2.153 7.778 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.384 -3.508 8.067 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.540 -1.423 8.030 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.503 -4.123 8.597 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.662 -2.032 8.560 1.00 0.00 C ATOM 384 CZ PHE A 27 2.643 -3.383 8.845 1.00 0.00 C ATOM 0 H PHE A 27 -0.655 -0.594 4.758 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.114 -3.236 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.587 -0.451 6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.613 -1.470 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.505 -4.091 7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.560 -0.366 7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.486 -5.180 8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.553 -1.452 8.751 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.518 -3.860 9.261 1.00 0.00 H new ATOM 394 N HIS A 28 -3.553 -3.123 5.526 1.00 0.00 N ATOM 395 CA HIS A 28 -5.008 -3.120 5.424 1.00 0.00 C ATOM 396 C HIS A 28 -5.635 -3.905 6.573 1.00 0.00 C ATOM 397 O HIS A 28 -6.686 -4.524 6.414 1.00 0.00 O ATOM 398 CB HIS A 28 -5.448 -3.714 4.085 1.00 0.00 C ATOM 399 CG HIS A 28 -6.913 -3.563 3.815 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.730 -4.622 3.477 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.709 -2.468 3.837 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.964 -4.185 3.301 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.978 -2.881 3.514 1.00 0.00 N ATOM 0 H HIS A 28 -3.117 -4.019 5.309 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.350 -2.087 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.888 -3.234 3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.190 -4.773 4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.403 -1.458 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.816 -4.790 3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.799 -2.279 3.449 1.00 0.00 H new ATOM 412 N GLY A 29 -4.980 -3.876 7.730 1.00 0.00 N ATOM 413 CA GLY A 29 -5.487 -4.589 8.887 1.00 0.00 C ATOM 414 C GLY A 29 -4.419 -5.421 9.570 1.00 0.00 C ATOM 415 O GLY A 29 -3.226 -5.132 9.480 1.00 0.00 O ATOM 0 H GLY A 29 -4.107 -3.371 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.897 -3.873 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.307 -5.238 8.579 1.00 0.00 H new ATOM 419 N PRO A 30 -4.848 -6.480 10.272 1.00 0.00 N ATOM 420 CA PRO A 30 -3.935 -7.377 10.988 1.00 0.00 C ATOM 421 C PRO A 30 -3.092 -8.223 10.039 1.00 0.00 C ATOM 422 O PRO A 30 -2.317 -9.075 10.474 1.00 0.00 O ATOM 423 CB PRO A 30 -4.878 -8.265 11.803 1.00 0.00 C ATOM 424 CG PRO A 30 -6.162 -8.247 11.048 1.00 0.00 C ATOM 425 CD PRO A 30 -6.256 -6.884 10.422 1.00 0.00 C ATOM 0 HA PRO A 30 -3.215 -6.828 11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.487 -9.278 11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.008 -7.881 12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.178 -9.028 10.287 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.007 -8.431 11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.769 -6.918 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.808 -6.189 11.054 1.00 0.00 H new ATOM 433 N LEU A 31 -3.249 -7.983 8.742 1.00 0.00 N ATOM 434 CA LEU A 31 -2.501 -8.723 7.732 1.00 0.00 C ATOM 435 C LEU A 31 -1.971 -7.786 6.651 1.00 0.00 C ATOM 436 O LEU A 31 -2.581 -6.758 6.352 1.00 0.00 O ATOM 437 CB LEU A 31 -3.387 -9.799 7.100 1.00 0.00 C ATOM 438 CG LEU A 31 -3.883 -10.897 8.041 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.233 -11.425 7.580 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.867 -12.026 8.126 1.00 0.00 C ATOM 0 H LEU A 31 -3.887 -7.282 8.365 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.652 -9.200 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.254 -9.312 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.832 -10.268 6.288 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.004 -10.469 9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.570 -12.206 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.959 -10.612 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.139 -11.837 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.237 -12.798 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.713 -12.453 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.922 -11.637 8.504 1.00 0.00 H new ATOM 452 N LEU A 32 -0.835 -8.148 6.067 1.00 0.00 N ATOM 453 CA LEU A 32 -0.223 -7.340 5.017 1.00 0.00 C ATOM 454 C LEU A 32 -0.563 -7.894 3.637 1.00 0.00 C ATOM 455 O LEU A 32 -0.658 -9.107 3.450 1.00 0.00 O ATOM 456 CB LEU A 32 1.295 -7.294 5.201 1.00 0.00 C ATOM 457 CG LEU A 32 1.830 -6.161 6.077 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.296 -6.391 6.410 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.643 -4.818 5.387 1.00 0.00 C ATOM 0 H LEU A 32 -0.318 -8.995 6.302 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.622 -6.328 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.618 -8.242 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.758 -7.216 4.217 1.00 0.00 H new ATOM 0 HG LEU A 32 1.264 -6.150 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.660 -5.575 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.404 -7.334 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.877 -6.430 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.030 -4.024 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.183 -4.817 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.582 -4.649 5.200 1.00 0.00 H new ATOM 471 N TYR A 33 -0.743 -6.997 2.673 1.00 0.00 N ATOM 472 CA TYR A 33 -1.072 -7.396 1.310 1.00 0.00 C ATOM 473 C TYR A 33 -0.137 -6.727 0.306 1.00 0.00 C ATOM 474 O TYR A 33 0.321 -5.606 0.521 1.00 0.00 O ATOM 475 CB TYR A 33 -2.524 -7.039 0.988 1.00 0.00 C ATOM 476 CG TYR A 33 -3.512 -7.537 2.018 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.594 -6.949 3.274 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.366 -8.597 1.734 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.495 -7.402 4.218 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.271 -9.056 2.672 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.332 -8.455 3.912 1.00 0.00 C ATOM 482 OH TYR A 33 -6.232 -8.909 4.849 1.00 0.00 O ATOM 0 H TYR A 33 -0.667 -5.989 2.811 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.945 -8.476 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.613 -5.956 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.785 -7.456 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.942 -6.123 3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.321 -9.070 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.544 -6.934 5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.927 -9.881 2.435 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.746 -9.654 4.474 1.00 0.00 H new ATOM 492 N GLU A 34 0.139 -7.425 -0.791 1.00 0.00 N ATOM 493 CA GLU A 34 1.019 -6.899 -1.828 1.00 0.00 C ATOM 494 C GLU A 34 0.375 -5.711 -2.536 1.00 0.00 C ATOM 495 O GLU A 34 -0.826 -5.711 -2.806 1.00 0.00 O ATOM 496 CB GLU A 34 1.355 -7.992 -2.845 1.00 0.00 C ATOM 497 CG GLU A 34 2.273 -7.524 -3.961 1.00 0.00 C ATOM 498 CD GLU A 34 2.396 -8.539 -5.081 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.372 -9.158 -5.436 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.518 -8.714 -5.601 1.00 0.00 O ATOM 0 H GLU A 34 -0.233 -8.355 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 34 1.939 -6.561 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.825 -8.827 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.429 -8.368 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.896 -6.585 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.262 -7.320 -3.551 1.00 0.00 H new ATOM 507 N ALA A 35 1.183 -4.699 -2.835 1.00 0.00 N ATOM 508 CA ALA A 35 0.694 -3.504 -3.512 1.00 0.00 C ATOM 509 C ALA A 35 1.842 -2.718 -4.137 1.00 0.00 C ATOM 510 O ALA A 35 3.003 -3.117 -4.046 1.00 0.00 O ATOM 511 CB ALA A 35 -0.082 -2.627 -2.541 1.00 0.00 C ATOM 0 H ALA A 35 2.180 -4.683 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 35 0.026 -3.819 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.441 -1.738 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.931 -3.185 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.570 -2.329 -1.720 1.00 0.00 H new ATOM 517 N LYS A 36 1.510 -1.600 -4.772 1.00 0.00 N ATOM 518 CA LYS A 36 2.512 -0.756 -5.412 1.00 0.00 C ATOM 519 C LYS A 36 2.084 0.708 -5.393 1.00 0.00 C ATOM 520 O LYS A 36 0.902 1.020 -5.538 1.00 0.00 O ATOM 521 CB LYS A 36 2.746 -1.212 -6.854 1.00 0.00 C ATOM 522 CG LYS A 36 3.690 -0.310 -7.631 1.00 0.00 C ATOM 523 CD LYS A 36 3.335 -0.272 -9.108 1.00 0.00 C ATOM 524 CE LYS A 36 2.084 0.556 -9.360 1.00 0.00 C ATOM 525 NZ LYS A 36 0.850 -0.276 -9.317 1.00 0.00 N ATOM 0 H LYS A 36 0.553 -1.257 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 36 3.442 -0.851 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.149 -2.225 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.788 -1.255 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.651 0.699 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.714 -0.664 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.169 0.145 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.180 -1.288 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.015 1.347 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.160 1.042 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.178 0.062 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.093 -1.268 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.416 -0.204 -8.375 1.00 0.00 H new ATOM 539 N CYS A 37 3.052 1.600 -5.216 1.00 0.00 N ATOM 540 CA CYS A 37 2.775 3.031 -5.179 1.00 0.00 C ATOM 541 C CYS A 37 2.412 3.551 -6.566 1.00 0.00 C ATOM 542 O CYS A 37 3.283 3.758 -7.411 1.00 0.00 O ATOM 543 CB CYS A 37 3.986 3.793 -4.637 1.00 0.00 C ATOM 544 SG CYS A 37 3.575 5.367 -3.849 1.00 0.00 S ATOM 0 H CYS A 37 4.035 1.357 -5.096 1.00 0.00 H new ATOM 0 HA CYS A 37 1.926 3.194 -4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.505 3.162 -3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.681 3.979 -5.456 1.00 0.00 H new ATOM 0 HG CYS A 37 2.500 5.856 -4.392 1.00 0.00 H new ATOM 550 N VAL A 38 1.119 3.758 -6.795 1.00 0.00 N ATOM 551 CA VAL A 38 0.639 4.252 -8.080 1.00 0.00 C ATOM 552 C VAL A 38 0.616 5.776 -8.108 1.00 0.00 C ATOM 553 O VAL A 38 0.616 6.389 -9.176 1.00 0.00 O ATOM 554 CB VAL A 38 -0.772 3.722 -8.395 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.692 2.417 -9.173 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.570 3.539 -7.112 1.00 0.00 C ATOM 0 H VAL A 38 0.385 3.591 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 38 1.332 3.887 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.287 4.456 -9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.699 2.058 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.160 2.584 -10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.159 1.673 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.565 3.164 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.060 2.826 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.658 4.496 -6.598 1.00 0.00 H new ATOM 566 N LYS A 39 0.596 6.384 -6.927 1.00 0.00 N ATOM 567 CA LYS A 39 0.574 7.838 -6.814 1.00 0.00 C ATOM 568 C LYS A 39 1.038 8.283 -5.431 1.00 0.00 C ATOM 569 O LYS A 39 0.966 7.521 -4.466 1.00 0.00 O ATOM 570 CB LYS A 39 -0.834 8.370 -7.088 1.00 0.00 C ATOM 571 CG LYS A 39 -1.391 7.950 -8.438 1.00 0.00 C ATOM 572 CD LYS A 39 -2.786 8.509 -8.664 1.00 0.00 C ATOM 573 CE LYS A 39 -3.456 7.866 -9.868 1.00 0.00 C ATOM 574 NZ LYS A 39 -2.986 8.463 -11.149 1.00 0.00 N ATOM 0 H LYS A 39 0.595 5.892 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 39 1.260 8.246 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.505 8.020 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.819 9.459 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.727 8.296 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.420 6.862 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.394 8.342 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.727 9.587 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.251 6.796 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.537 7.983 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.466 7.998 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.205 9.480 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.959 8.329 -11.238 1.00 0.00 H new ATOM 588 N VAL A 40 1.511 9.522 -5.340 1.00 0.00 N ATOM 589 CA VAL A 40 1.983 10.069 -4.074 1.00 0.00 C ATOM 590 C VAL A 40 1.491 11.499 -3.876 1.00 0.00 C ATOM 591 O VAL A 40 1.874 12.406 -4.614 1.00 0.00 O ATOM 592 CB VAL A 40 3.521 10.052 -3.994 1.00 0.00 C ATOM 593 CG1 VAL A 40 3.992 10.594 -2.653 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.050 8.644 -4.225 1.00 0.00 C ATOM 0 H VAL A 40 1.577 10.166 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 40 1.578 9.435 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 40 3.916 10.698 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.081 10.574 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.643 11.620 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.590 9.977 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.138 8.650 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.648 7.975 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.743 8.297 -5.212 1.00 0.00 H new ATOM 604 N ALA A 41 0.639 11.692 -2.874 1.00 0.00 N ATOM 605 CA ALA A 41 0.096 13.011 -2.577 1.00 0.00 C ATOM 606 C ALA A 41 0.389 13.414 -1.136 1.00 0.00 C ATOM 607 O ALA A 41 0.748 12.575 -0.308 1.00 0.00 O ATOM 608 CB ALA A 41 -1.402 13.037 -2.840 1.00 0.00 C ATOM 0 H ALA A 41 0.310 10.951 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 41 0.582 13.732 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.794 14.029 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.592 12.802 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.895 12.299 -2.208 1.00 0.00 H new ATOM 614 N ILE A 42 0.235 14.700 -0.842 1.00 0.00 N ATOM 615 CA ILE A 42 0.483 15.212 0.500 1.00 0.00 C ATOM 616 C ILE A 42 -0.588 16.217 0.911 1.00 0.00 C ATOM 617 O ILE A 42 -0.846 17.191 0.204 1.00 0.00 O ATOM 618 CB ILE A 42 1.865 15.883 0.600 1.00 0.00 C ATOM 619 CG1 ILE A 42 2.970 14.876 0.275 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.069 16.472 1.988 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.281 15.521 -0.117 1.00 0.00 C ATOM 0 H ILE A 42 -0.060 15.407 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 42 0.454 14.356 1.175 1.00 0.00 H new ATOM 0 HB ILE A 42 1.912 16.693 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.134 14.237 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.635 14.231 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.051 16.943 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.298 17.217 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.005 15.679 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.017 14.747 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.132 16.138 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.639 16.144 0.703 1.00 0.00 H new ATOM 633 N LYS A 43 -1.209 15.974 2.061 1.00 0.00 N ATOM 634 CA LYS A 43 -2.250 16.859 2.571 1.00 0.00 C ATOM 635 C LYS A 43 -2.330 16.785 4.092 1.00 0.00 C ATOM 636 O LYS A 43 -1.751 15.892 4.711 1.00 0.00 O ATOM 637 CB LYS A 43 -3.604 16.490 1.960 1.00 0.00 C ATOM 638 CG LYS A 43 -3.877 17.171 0.630 1.00 0.00 C ATOM 639 CD LYS A 43 -5.246 16.802 0.085 1.00 0.00 C ATOM 640 CE LYS A 43 -5.222 15.454 -0.619 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.385 14.325 0.339 1.00 0.00 N ATOM 0 H LYS A 43 -1.009 15.171 2.657 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.996 17.880 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.648 15.410 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.394 16.754 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.813 18.252 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.109 16.887 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.968 16.774 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.581 17.571 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.019 15.418 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.280 15.341 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.457 13.898 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.796 14.679 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.016 13.608 -0.073 1.00 0.00 H new ATOM 655 N ASP A 44 -3.050 17.729 4.688 1.00 0.00 N ATOM 656 CA ASP A 44 -3.208 17.769 6.137 1.00 0.00 C ATOM 657 C ASP A 44 -1.857 17.638 6.835 1.00 0.00 C ATOM 658 O ASP A 44 -1.753 17.030 7.900 1.00 0.00 O ATOM 659 CB ASP A 44 -4.145 16.654 6.601 1.00 0.00 C ATOM 660 CG ASP A 44 -5.581 16.888 6.172 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.791 17.611 5.176 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.493 16.349 6.833 1.00 0.00 O ATOM 0 H ASP A 44 -3.533 18.477 4.190 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.643 18.732 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.799 15.702 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.102 16.575 7.687 1.00 0.00 H new ATOM 667 N LYS A 45 -0.825 18.212 6.226 1.00 0.00 N ATOM 668 CA LYS A 45 0.520 18.160 6.787 1.00 0.00 C ATOM 669 C LYS A 45 1.002 16.719 6.914 1.00 0.00 C ATOM 670 O LYS A 45 1.779 16.392 7.810 1.00 0.00 O ATOM 671 CB LYS A 45 0.550 18.842 8.157 1.00 0.00 C ATOM 672 CG LYS A 45 0.175 20.313 8.113 1.00 0.00 C ATOM 673 CD LYS A 45 1.186 21.122 7.316 1.00 0.00 C ATOM 674 CE LYS A 45 0.745 22.569 7.163 1.00 0.00 C ATOM 675 NZ LYS A 45 -0.107 22.765 5.958 1.00 0.00 N ATOM 0 H LYS A 45 -0.894 18.719 5.344 1.00 0.00 H new ATOM 0 HA LYS A 45 1.190 18.690 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.134 18.321 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.549 18.743 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.814 20.424 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.113 20.704 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.155 21.087 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.317 20.674 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.193 22.876 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.623 23.211 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.387 23.764 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.428 22.496 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.958 22.172 6.034 1.00 0.00 H new ATOM 689 N GLN A 46 0.535 15.862 6.011 1.00 0.00 N ATOM 690 CA GLN A 46 0.920 14.455 6.023 1.00 0.00 C ATOM 691 C GLN A 46 1.134 13.937 4.605 1.00 0.00 C ATOM 692 O GLN A 46 0.549 14.450 3.651 1.00 0.00 O ATOM 693 CB GLN A 46 -0.149 13.619 6.729 1.00 0.00 C ATOM 694 CG GLN A 46 -1.412 13.426 5.905 1.00 0.00 C ATOM 695 CD GLN A 46 -2.110 12.114 6.207 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.520 11.040 6.083 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.374 12.194 6.605 1.00 0.00 N ATOM 0 H GLN A 46 -0.110 16.117 5.263 1.00 0.00 H new ATOM 0 HA GLN A 46 1.860 14.366 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.268 12.642 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.410 14.099 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.097 14.251 6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.159 13.464 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.824 13.105 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.895 11.344 6.822 1.00 0.00 H new ATOM 706 N VAL A 47 1.976 12.918 4.474 1.00 0.00 N ATOM 707 CA VAL A 47 2.267 12.330 3.171 1.00 0.00 C ATOM 708 C VAL A 47 1.504 11.025 2.975 1.00 0.00 C ATOM 709 O VAL A 47 1.596 10.109 3.794 1.00 0.00 O ATOM 710 CB VAL A 47 3.774 12.061 3.001 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.089 11.675 1.564 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.583 13.277 3.425 1.00 0.00 C ATOM 0 H VAL A 47 2.469 12.482 5.253 1.00 0.00 H new ATOM 0 HA VAL A 47 1.947 13.051 2.419 1.00 0.00 H new ATOM 0 HB VAL A 47 4.051 11.226 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.158 11.489 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.537 10.773 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.798 12.486 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.646 13.069 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.304 14.132 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.380 13.502 4.472 1.00 0.00 H new ATOM 722 N LYS A 48 0.751 10.945 1.884 1.00 0.00 N ATOM 723 CA LYS A 48 -0.029 9.751 1.577 1.00 0.00 C ATOM 724 C LYS A 48 0.449 9.109 0.278 1.00 0.00 C ATOM 725 O LYS A 48 1.158 9.734 -0.511 1.00 0.00 O ATOM 726 CB LYS A 48 -1.514 10.101 1.469 1.00 0.00 C ATOM 727 CG LYS A 48 -2.209 10.229 2.814 1.00 0.00 C ATOM 728 CD LYS A 48 -3.685 9.885 2.714 1.00 0.00 C ATOM 729 CE LYS A 48 -4.431 10.254 3.987 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.817 9.709 3.996 1.00 0.00 N ATOM 0 H LYS A 48 0.664 11.693 1.196 1.00 0.00 H new ATOM 0 HA LYS A 48 0.111 9.037 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.619 11.040 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.018 9.334 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.729 9.569 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.096 11.247 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.126 10.411 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.799 8.818 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.886 9.874 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.467 11.339 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.292 9.982 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.346 10.092 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.783 8.672 3.928 1.00 0.00 H new ATOM 744 N TYR A 49 0.055 7.859 0.062 1.00 0.00 N ATOM 745 CA TYR A 49 0.444 7.132 -1.140 1.00 0.00 C ATOM 746 C TYR A 49 -0.700 6.256 -1.641 1.00 0.00 C ATOM 747 O TYR A 49 -1.261 5.457 -0.890 1.00 0.00 O ATOM 748 CB TYR A 49 1.678 6.271 -0.865 1.00 0.00 C ATOM 749 CG TYR A 49 2.789 7.014 -0.158 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.695 7.324 1.193 1.00 0.00 C ATOM 751 CD2 TYR A 49 3.934 7.405 -0.842 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.708 8.003 1.842 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.952 8.083 -0.201 1.00 0.00 C ATOM 754 CZ TYR A 49 4.834 8.380 1.141 1.00 0.00 C ATOM 755 OH TYR A 49 5.846 9.056 1.784 1.00 0.00 O ATOM 0 H TYR A 49 -0.534 7.328 0.704 1.00 0.00 H new ATOM 0 HA TYR A 49 0.684 7.862 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.384 5.413 -0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.057 5.881 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.815 7.029 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.029 7.175 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.619 8.237 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.835 8.379 -0.747 1.00 0.00 H new ATOM 0 HH TYR A 49 6.398 8.419 2.284 1.00 0.00 H new ATOM 765 N PHE A 50 -1.041 6.411 -2.916 1.00 0.00 N ATOM 766 CA PHE A 50 -2.118 5.635 -3.519 1.00 0.00 C ATOM 767 C PHE A 50 -1.719 4.169 -3.663 1.00 0.00 C ATOM 768 O PHE A 50 -0.872 3.824 -4.488 1.00 0.00 O ATOM 769 CB PHE A 50 -2.486 6.211 -4.888 1.00 0.00 C ATOM 770 CG PHE A 50 -3.598 5.468 -5.572 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.600 4.859 -4.833 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.643 5.380 -6.954 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.624 4.175 -5.460 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.664 4.697 -7.586 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.657 4.094 -6.838 1.00 0.00 C ATOM 0 H PHE A 50 -0.587 7.067 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.986 5.694 -2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.777 7.254 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.604 6.198 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.580 4.920 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.871 5.851 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.398 3.704 -4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.686 4.634 -8.664 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.457 3.561 -7.330 1.00 0.00 H new ATOM 785 N ILE A 51 -2.332 3.313 -2.853 1.00 0.00 N ATOM 786 CA ILE A 51 -2.041 1.885 -2.890 1.00 0.00 C ATOM 787 C ILE A 51 -2.926 1.170 -3.906 1.00 0.00 C ATOM 788 O ILE A 51 -4.133 1.403 -3.967 1.00 0.00 O ATOM 789 CB ILE A 51 -2.237 1.234 -1.508 1.00 0.00 C ATOM 790 CG1 ILE A 51 -1.360 1.929 -0.465 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.917 -0.251 -1.572 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.066 2.146 -0.921 1.00 0.00 C ATOM 0 H ILE A 51 -3.033 3.583 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.997 1.784 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.280 1.348 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.803 2.893 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.354 1.333 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.060 -0.697 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.579 -0.735 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.882 -0.387 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.629 2.643 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.527 1.184 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.071 2.767 -1.816 1.00 0.00 H new ATOM 804 N HIS A 52 -2.317 0.296 -4.701 1.00 0.00 N ATOM 805 CA HIS A 52 -3.049 -0.457 -5.713 1.00 0.00 C ATOM 806 C HIS A 52 -2.955 -1.957 -5.450 1.00 0.00 C ATOM 807 O HIS A 52 -2.020 -2.619 -5.901 1.00 0.00 O ATOM 808 CB HIS A 52 -2.509 -0.137 -7.107 1.00 0.00 C ATOM 809 CG HIS A 52 -3.011 -1.064 -8.171 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.267 -0.957 -8.731 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.418 -2.117 -8.780 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.426 -1.906 -9.636 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.318 -2.624 -9.686 1.00 0.00 N ATOM 0 H HIS A 52 -1.318 0.092 -4.664 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.097 -0.163 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.783 0.885 -7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.420 -0.179 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.422 -2.490 -8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.311 -2.068 -10.233 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.157 -3.424 -10.298 1.00 0.00 H new ATOM 822 N TYR A 53 -3.928 -2.486 -4.716 1.00 0.00 N ATOM 823 CA TYR A 53 -3.953 -3.906 -4.390 1.00 0.00 C ATOM 824 C TYR A 53 -3.867 -4.757 -5.653 1.00 0.00 C ATOM 825 O TYR A 53 -4.830 -4.858 -6.414 1.00 0.00 O ATOM 826 CB TYR A 53 -5.226 -4.251 -3.615 1.00 0.00 C ATOM 827 CG TYR A 53 -5.339 -3.535 -2.288 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.356 -3.674 -1.315 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.429 -2.721 -2.006 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.456 -3.023 -0.101 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.536 -2.065 -0.795 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.547 -2.219 0.154 1.00 0.00 C ATOM 833 OH TYR A 53 -5.651 -1.568 1.362 1.00 0.00 O ATOM 0 H TYR A 53 -4.710 -1.952 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.086 -4.124 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.093 -4.003 -4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.256 -5.327 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.499 -4.302 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.206 -2.599 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.684 -3.143 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.389 -1.435 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.760 -1.294 1.664 1.00 0.00 H new ATOM 843 N SER A 54 -2.706 -5.368 -5.870 1.00 0.00 N ATOM 844 CA SER A 54 -2.492 -6.209 -7.042 1.00 0.00 C ATOM 845 C SER A 54 -3.739 -7.028 -7.359 1.00 0.00 C ATOM 846 O SER A 54 -4.403 -7.542 -6.459 1.00 0.00 O ATOM 847 CB SER A 54 -1.300 -7.140 -6.817 1.00 0.00 C ATOM 848 OG SER A 54 -0.869 -7.721 -8.035 1.00 0.00 O ATOM 0 H SER A 54 -1.900 -5.296 -5.250 1.00 0.00 H new ATOM 0 HA SER A 54 -2.281 -5.559 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.479 -6.582 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.576 -7.926 -6.113 1.00 0.00 H new ATOM 0 HG SER A 54 -0.105 -8.310 -7.864 1.00 0.00 H new ATOM 854 N GLY A 55 -4.053 -7.144 -8.646 1.00 0.00 N ATOM 855 CA GLY A 55 -5.219 -7.901 -9.060 1.00 0.00 C ATOM 856 C GLY A 55 -5.934 -7.268 -10.237 1.00 0.00 C ATOM 857 O GLY A 55 -5.296 -6.736 -11.146 1.00 0.00 O ATOM 0 H GLY A 55 -3.520 -6.727 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.915 -8.914 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.910 -7.985 -8.221 1.00 0.00 H new ATOM 861 N TRP A 56 -7.260 -7.325 -10.222 1.00 0.00 N ATOM 862 CA TRP A 56 -8.062 -6.753 -11.299 1.00 0.00 C ATOM 863 C TRP A 56 -8.786 -5.496 -10.830 1.00 0.00 C ATOM 864 O TRP A 56 -8.609 -4.419 -11.398 1.00 0.00 O ATOM 865 CB TRP A 56 -9.075 -7.780 -11.808 1.00 0.00 C ATOM 866 CG TRP A 56 -8.438 -8.988 -12.424 1.00 0.00 C ATOM 867 CD1 TRP A 56 -8.643 -10.292 -12.073 1.00 0.00 C ATOM 868 CD2 TRP A 56 -7.490 -9.004 -13.497 1.00 0.00 C ATOM 869 NE1 TRP A 56 -7.880 -11.117 -12.864 1.00 0.00 N ATOM 870 CE2 TRP A 56 -7.165 -10.352 -13.746 1.00 0.00 C ATOM 871 CE3 TRP A 56 -6.887 -8.011 -14.274 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -6.262 -10.729 -14.737 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -5.991 -8.387 -15.257 1.00 0.00 C ATOM 874 CH2 TRP A 56 -5.686 -9.736 -15.482 1.00 0.00 C ATOM 0 H TRP A 56 -7.803 -7.761 -9.477 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.391 -6.480 -12.113 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.709 -8.095 -10.980 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.724 -7.305 -12.544 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.307 -10.626 -11.289 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.851 -12.135 -12.804 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -7.117 -6.969 -14.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.025 -11.768 -14.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.518 -7.628 -15.862 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -4.982 -9.997 -16.259 1.00 0.00 H new ATOM 885 N ASN A 57 -9.601 -5.640 -9.790 1.00 0.00 N ATOM 886 CA ASN A 57 -10.352 -4.515 -9.245 1.00 0.00 C ATOM 887 C ASN A 57 -9.444 -3.307 -9.033 1.00 0.00 C ATOM 888 O ASN A 57 -8.299 -3.445 -8.602 1.00 0.00 O ATOM 889 CB ASN A 57 -11.013 -4.909 -7.923 1.00 0.00 C ATOM 890 CG ASN A 57 -11.640 -6.288 -7.978 1.00 0.00 C ATOM 891 OD1 ASN A 57 -12.508 -6.555 -8.810 1.00 0.00 O ATOM 892 ND2 ASN A 57 -11.203 -7.173 -7.089 1.00 0.00 N ATOM 0 H ASN A 57 -9.758 -6.525 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.126 -4.244 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.270 -4.883 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.778 -4.175 -7.670 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.588 -8.117 -7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.482 -6.908 -6.418 1.00 0.00 H new ATOM 899 N LYS A 58 -9.963 -2.123 -9.338 1.00 0.00 N ATOM 900 CA LYS A 58 -9.202 -0.889 -9.179 1.00 0.00 C ATOM 901 C LYS A 58 -10.003 0.147 -8.398 1.00 0.00 C ATOM 902 O LYS A 58 -9.733 1.345 -8.481 1.00 0.00 O ATOM 903 CB LYS A 58 -8.816 -0.325 -10.548 1.00 0.00 C ATOM 904 CG LYS A 58 -9.945 -0.364 -11.563 1.00 0.00 C ATOM 905 CD LYS A 58 -10.856 0.845 -11.430 1.00 0.00 C ATOM 906 CE LYS A 58 -10.333 2.028 -12.230 1.00 0.00 C ATOM 907 NZ LYS A 58 -10.643 1.897 -13.680 1.00 0.00 N ATOM 0 H LYS A 58 -10.909 -1.991 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.296 -1.119 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.484 0.706 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.969 -0.889 -10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.529 -0.398 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.527 -1.276 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.858 0.587 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.941 1.124 -10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.773 2.949 -11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.254 2.109 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.006 2.510 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.511 0.909 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.629 2.180 -13.851 1.00 0.00 H new ATOM 921 N ASN A 59 -10.987 -0.322 -7.638 1.00 0.00 N ATOM 922 CA ASN A 59 -11.826 0.565 -6.840 1.00 0.00 C ATOM 923 C ASN A 59 -11.497 0.437 -5.356 1.00 0.00 C ATOM 924 O ASN A 59 -11.462 1.430 -4.630 1.00 0.00 O ATOM 925 CB ASN A 59 -13.305 0.250 -7.075 1.00 0.00 C ATOM 926 CG ASN A 59 -14.222 1.139 -6.258 1.00 0.00 C ATOM 927 OD1 ASN A 59 -14.779 2.112 -6.768 1.00 0.00 O ATOM 928 ND2 ASN A 59 -14.384 0.809 -4.982 1.00 0.00 N ATOM 0 H ASN A 59 -11.223 -1.311 -7.558 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.626 1.590 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.536 0.370 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.496 -0.793 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.989 1.370 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.903 -0.006 -4.601 1.00 0.00 H new ATOM 935 N TRP A 60 -11.255 -0.791 -4.914 1.00 0.00 N ATOM 936 CA TRP A 60 -10.928 -1.049 -3.516 1.00 0.00 C ATOM 937 C TRP A 60 -9.690 -0.265 -3.093 1.00 0.00 C ATOM 938 O TRP A 60 -9.622 0.249 -1.977 1.00 0.00 O ATOM 939 CB TRP A 60 -10.700 -2.545 -3.292 1.00 0.00 C ATOM 940 CG TRP A 60 -11.949 -3.288 -2.924 1.00 0.00 C ATOM 941 CD1 TRP A 60 -13.168 -3.192 -3.531 1.00 0.00 C ATOM 942 CD2 TRP A 60 -12.100 -4.237 -1.863 1.00 0.00 C ATOM 943 NE1 TRP A 60 -14.068 -4.025 -2.911 1.00 0.00 N ATOM 944 CE2 TRP A 60 -13.437 -4.678 -1.886 1.00 0.00 C ATOM 945 CE3 TRP A 60 -11.235 -4.760 -0.897 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -13.928 -5.614 -0.979 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -11.723 -5.689 0.001 1.00 0.00 C ATOM 948 CH2 TRP A 60 -13.059 -6.109 -0.045 1.00 0.00 C ATOM 0 H TRP A 60 -11.279 -1.624 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 60 -11.769 -0.721 -2.905 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.280 -2.981 -4.199 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -9.961 -2.678 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.392 -2.555 -4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -15.047 -4.139 -3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -10.203 -4.443 -0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -14.958 -5.938 -1.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.063 -6.099 0.752 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -13.410 -6.838 0.671 1.00 0.00 H new ATOM 959 N ASP A 61 -8.715 -0.178 -3.991 1.00 0.00 N ATOM 960 CA ASP A 61 -7.480 0.545 -3.710 1.00 0.00 C ATOM 961 C ASP A 61 -7.769 1.848 -2.972 1.00 0.00 C ATOM 962 O ASP A 61 -8.564 2.668 -3.430 1.00 0.00 O ATOM 963 CB ASP A 61 -6.728 0.837 -5.010 1.00 0.00 C ATOM 964 CG ASP A 61 -7.664 1.083 -6.177 1.00 0.00 C ATOM 965 OD1 ASP A 61 -8.802 1.539 -5.939 1.00 0.00 O ATOM 966 OD2 ASP A 61 -7.259 0.819 -7.328 1.00 0.00 O ATOM 0 H ASP A 61 -8.756 -0.599 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.858 -0.083 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.090 1.710 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.073 -0.002 -5.244 1.00 0.00 H new ATOM 971 N GLU A 62 -7.119 2.030 -1.826 1.00 0.00 N ATOM 972 CA GLU A 62 -7.309 3.233 -1.024 1.00 0.00 C ATOM 973 C GLU A 62 -5.982 3.953 -0.800 1.00 0.00 C ATOM 974 O GLU A 62 -4.937 3.514 -1.281 1.00 0.00 O ATOM 975 CB GLU A 62 -7.944 2.880 0.323 1.00 0.00 C ATOM 976 CG GLU A 62 -7.197 1.797 1.082 1.00 0.00 C ATOM 977 CD GLU A 62 -7.371 1.912 2.584 1.00 0.00 C ATOM 978 OE1 GLU A 62 -7.157 3.017 3.124 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.723 0.895 3.219 1.00 0.00 O ATOM 0 H GLU A 62 -6.457 1.361 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.977 3.900 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.991 3.778 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.971 2.553 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.549 0.819 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.136 1.853 0.837 1.00 0.00 H new ATOM 986 N TRP A 63 -6.033 5.060 -0.069 1.00 0.00 N ATOM 987 CA TRP A 63 -4.835 5.841 0.219 1.00 0.00 C ATOM 988 C TRP A 63 -4.300 5.525 1.611 1.00 0.00 C ATOM 989 O TRP A 63 -5.068 5.314 2.549 1.00 0.00 O ATOM 990 CB TRP A 63 -5.137 7.336 0.103 1.00 0.00 C ATOM 991 CG TRP A 63 -5.245 7.812 -1.314 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.352 7.762 -2.113 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.208 8.409 -2.099 1.00 0.00 C ATOM 994 NE1 TRP A 63 -6.064 8.291 -3.348 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.756 8.696 -3.365 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.870 8.731 -1.856 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -4.011 9.288 -4.382 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -2.132 9.318 -2.867 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.704 9.592 -4.116 1.00 0.00 C ATOM 0 H TRP A 63 -6.890 5.437 0.335 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.072 5.573 -0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.070 7.552 0.623 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.352 7.898 0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.312 7.365 -1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.719 8.369 -4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.421 8.525 -0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.449 9.499 -5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.097 9.570 -2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -2.101 10.053 -4.885 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.977 5.492 1.738 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.339 5.202 3.016 1.00 0.00 C ATOM 1012 C VAL A 64 -1.180 6.157 3.282 1.00 0.00 C ATOM 1013 O VAL A 64 -0.537 6.663 2.362 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.817 3.754 3.068 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.885 2.784 2.585 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.548 3.615 2.241 1.00 0.00 C ATOM 0 H VAL A 64 -2.327 5.663 0.971 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.100 5.334 3.785 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.578 3.510 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.498 1.766 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.766 2.865 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.157 3.025 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.193 2.585 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.759 3.878 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.219 4.282 2.636 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.906 6.412 4.570 1.00 0.00 N ATOM 1027 CA PRO A 65 0.177 7.307 4.987 1.00 0.00 C ATOM 1028 C PRO A 65 1.555 6.719 4.708 1.00 0.00 C ATOM 1029 O PRO A 65 1.683 5.728 3.990 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.047 7.456 6.494 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.772 6.218 6.893 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.632 5.844 5.718 1.00 0.00 C ATOM 0 HA PRO A 65 0.157 8.252 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.899 7.550 7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.631 8.348 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.073 5.418 7.135 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.379 6.391 7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.743 4.763 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.635 6.261 5.805 1.00 0.00 H new ATOM 1040 N GLU A 66 2.584 7.336 5.281 1.00 0.00 N ATOM 1041 CA GLU A 66 3.954 6.871 5.093 1.00 0.00 C ATOM 1042 C GLU A 66 4.299 5.774 6.096 1.00 0.00 C ATOM 1043 O GLU A 66 5.293 5.066 5.940 1.00 0.00 O ATOM 1044 CB GLU A 66 4.935 8.036 5.238 1.00 0.00 C ATOM 1045 CG GLU A 66 6.392 7.624 5.114 1.00 0.00 C ATOM 1046 CD GLU A 66 7.347 8.778 5.347 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.497 9.616 4.433 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.944 8.843 6.442 1.00 0.00 O ATOM 0 H GLU A 66 2.495 8.158 5.878 1.00 0.00 H new ATOM 0 HA GLU A 66 4.036 6.459 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.712 8.785 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.782 8.511 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.604 6.832 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.565 7.209 4.121 1.00 0.00 H new ATOM 1055 N SER A 67 3.469 5.640 7.126 1.00 0.00 N ATOM 1056 CA SER A 67 3.688 4.633 8.158 1.00 0.00 C ATOM 1057 C SER A 67 3.001 3.321 7.790 1.00 0.00 C ATOM 1058 O SER A 67 3.314 2.267 8.344 1.00 0.00 O ATOM 1059 CB SER A 67 3.169 5.133 9.507 1.00 0.00 C ATOM 1060 OG SER A 67 3.799 6.347 9.877 1.00 0.00 O ATOM 0 H SER A 67 2.639 6.216 7.268 1.00 0.00 H new ATOM 0 HA SER A 67 4.760 4.453 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.090 5.281 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.349 4.378 10.272 1.00 0.00 H new ATOM 0 HG SER A 67 3.449 6.647 10.742 1.00 0.00 H new ATOM 1066 N ARG A 68 2.063 3.394 6.852 1.00 0.00 N ATOM 1067 CA ARG A 68 1.329 2.214 6.410 1.00 0.00 C ATOM 1068 C ARG A 68 2.054 1.524 5.258 1.00 0.00 C ATOM 1069 O ARG A 68 1.736 0.389 4.903 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.087 2.599 5.979 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.071 2.692 7.133 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.484 2.344 6.691 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.489 2.843 7.626 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.761 2.461 7.610 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.181 1.580 6.712 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.616 2.960 8.493 1.00 0.00 N ATOM 0 H ARG A 68 1.793 4.258 6.383 1.00 0.00 H new ATOM 0 HA ARG A 68 1.269 1.519 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.052 3.559 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.451 1.865 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.762 2.017 7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.056 3.701 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.668 2.764 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.579 1.262 6.600 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.198 3.522 8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.527 1.194 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.158 1.288 6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.297 3.638 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.593 2.666 8.480 1.00 0.00 H new ATOM 1090 N VAL A 69 3.028 2.217 4.678 1.00 0.00 N ATOM 1091 CA VAL A 69 3.798 1.671 3.567 1.00 0.00 C ATOM 1092 C VAL A 69 5.162 1.175 4.034 1.00 0.00 C ATOM 1093 O VAL A 69 5.774 1.759 4.930 1.00 0.00 O ATOM 1094 CB VAL A 69 3.998 2.718 2.455 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.441 2.047 1.164 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.721 3.516 2.239 1.00 0.00 C ATOM 0 H VAL A 69 3.303 3.158 4.959 1.00 0.00 H new ATOM 0 HA VAL A 69 3.227 0.832 3.168 1.00 0.00 H new ATOM 0 HB VAL A 69 4.782 3.408 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.577 2.802 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.383 1.524 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.681 1.334 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.880 4.251 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.915 2.842 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.451 4.028 3.163 1.00 0.00 H new ATOM 1106 N LEU A 70 5.634 0.095 3.423 1.00 0.00 N ATOM 1107 CA LEU A 70 6.927 -0.481 3.775 1.00 0.00 C ATOM 1108 C LEU A 70 7.878 -0.455 2.583 1.00 0.00 C ATOM 1109 O LEU A 70 7.467 -0.191 1.452 1.00 0.00 O ATOM 1110 CB LEU A 70 6.751 -1.917 4.270 1.00 0.00 C ATOM 1111 CG LEU A 70 5.745 -2.117 5.404 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.516 -3.599 5.659 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.224 -1.424 6.671 1.00 0.00 C ATOM 0 H LEU A 70 5.140 -0.400 2.680 1.00 0.00 H new ATOM 0 HA LEU A 70 7.359 0.121 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.445 -2.536 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.721 -2.287 4.602 1.00 0.00 H new ATOM 0 HG LEU A 70 4.797 -1.670 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.797 -3.722 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.127 -4.068 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.459 -4.071 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.495 -1.577 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.185 -1.841 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.336 -0.356 6.482 1.00 0.00 H new ATOM 1125 N LYS A 71 9.151 -0.732 2.842 1.00 0.00 N ATOM 1126 CA LYS A 71 10.161 -0.745 1.790 1.00 0.00 C ATOM 1127 C LYS A 71 10.212 -2.105 1.101 1.00 0.00 C ATOM 1128 O LYS A 71 11.116 -2.377 0.310 1.00 0.00 O ATOM 1129 CB LYS A 71 11.536 -0.404 2.371 1.00 0.00 C ATOM 1130 CG LYS A 71 11.693 1.060 2.743 1.00 0.00 C ATOM 1131 CD LYS A 71 10.752 1.453 3.869 1.00 0.00 C ATOM 1132 CE LYS A 71 10.989 2.887 4.319 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.726 3.862 3.224 1.00 0.00 N ATOM 0 H LYS A 71 9.508 -0.951 3.772 1.00 0.00 H new ATOM 0 HA LYS A 71 9.889 0.007 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.709 -1.016 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.304 -0.670 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.723 1.251 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.496 1.681 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.720 1.340 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.891 0.778 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.344 3.112 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.018 2.995 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.732 4.828 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.464 3.775 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.797 3.665 2.800 1.00 0.00 H new ATOM 1147 N TYR A 72 9.236 -2.953 1.404 1.00 0.00 N ATOM 1148 CA TYR A 72 9.171 -4.285 0.814 1.00 0.00 C ATOM 1149 C TYR A 72 10.544 -4.948 0.811 1.00 0.00 C ATOM 1150 O TYR A 72 11.003 -5.451 -0.215 1.00 0.00 O ATOM 1151 CB TYR A 72 8.627 -4.207 -0.614 1.00 0.00 C ATOM 1152 CG TYR A 72 7.804 -5.410 -1.016 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.402 -6.647 -1.222 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.430 -5.309 -1.190 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.654 -7.749 -1.589 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.674 -6.406 -1.556 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.291 -7.624 -1.755 1.00 0.00 C ATOM 1158 OH TYR A 72 5.541 -8.718 -2.121 1.00 0.00 O ATOM 0 H TYR A 72 8.479 -2.742 2.054 1.00 0.00 H new ATOM 0 HA TYR A 72 8.497 -4.890 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.016 -3.310 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.462 -4.101 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.469 -6.749 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.944 -4.357 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.134 -8.704 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.606 -6.311 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 72 4.599 -8.459 -2.194 1.00 0.00 H new ATOM 1168 N VAL A 73 11.197 -4.946 1.969 1.00 0.00 N ATOM 1169 CA VAL A 73 12.518 -5.549 2.103 1.00 0.00 C ATOM 1170 C VAL A 73 12.474 -6.776 3.007 1.00 0.00 C ATOM 1171 O VAL A 73 11.496 -6.998 3.722 1.00 0.00 O ATOM 1172 CB VAL A 73 13.539 -4.544 2.670 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.801 -3.428 1.671 1.00 0.00 C ATOM 1174 CG2 VAL A 73 13.050 -3.980 3.996 1.00 0.00 C ATOM 0 H VAL A 73 10.833 -4.534 2.828 1.00 0.00 H new ATOM 0 HA VAL A 73 12.831 -5.849 1.103 1.00 0.00 H new ATOM 0 HB VAL A 73 14.478 -5.067 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.524 -2.728 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.197 -3.851 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.869 -2.903 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.783 -3.272 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.098 -3.471 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.918 -4.792 4.711 1.00 0.00 H new ATOM 1184 N ASP A 74 13.538 -7.569 2.971 1.00 0.00 N ATOM 1185 CA ASP A 74 13.622 -8.774 3.789 1.00 0.00 C ATOM 1186 C ASP A 74 12.906 -8.577 5.121 1.00 0.00 C ATOM 1187 O ASP A 74 11.928 -9.263 5.421 1.00 0.00 O ATOM 1188 CB ASP A 74 15.084 -9.150 4.032 1.00 0.00 C ATOM 1189 CG ASP A 74 15.247 -10.596 4.456 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.699 -10.969 5.514 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.924 -11.355 3.731 1.00 0.00 O ATOM 0 H ASP A 74 14.355 -7.400 2.384 1.00 0.00 H new ATOM 0 HA ASP A 74 13.132 -9.585 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.657 -8.975 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.500 -8.500 4.801 1.00 0.00 H new ATOM 1196 N THR A 75 13.400 -7.636 5.920 1.00 0.00 N ATOM 1197 CA THR A 75 12.810 -7.350 7.221 1.00 0.00 C ATOM 1198 C THR A 75 11.288 -7.320 7.140 1.00 0.00 C ATOM 1199 O THR A 75 10.608 -8.130 7.767 1.00 0.00 O ATOM 1200 CB THR A 75 13.310 -6.005 7.782 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.738 -5.942 7.702 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.868 -5.824 9.226 1.00 0.00 C ATOM 0 H THR A 75 14.208 -7.059 5.688 1.00 0.00 H new ATOM 0 HA THR A 75 13.120 -8.152 7.891 1.00 0.00 H new ATOM 0 HB THR A 75 12.878 -5.203 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.048 -5.084 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.232 -4.868 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.779 -5.843 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.275 -6.631 9.835 1.00 0.00 H new ATOM 1210 N ASN A 76 10.760 -6.381 6.362 1.00 0.00 N ATOM 1211 CA ASN A 76 9.317 -6.245 6.199 1.00 0.00 C ATOM 1212 C ASN A 76 8.687 -7.578 5.805 1.00 0.00 C ATOM 1213 O ASN A 76 7.665 -7.982 6.360 1.00 0.00 O ATOM 1214 CB ASN A 76 9.000 -5.186 5.141 1.00 0.00 C ATOM 1215 CG ASN A 76 9.301 -3.780 5.623 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.037 -3.437 6.775 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.857 -2.959 4.740 1.00 0.00 N ATOM 0 H ASN A 76 11.310 -5.703 5.834 1.00 0.00 H new ATOM 0 HA ASN A 76 8.896 -5.932 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.580 -5.391 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.948 -5.255 4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.083 -2.001 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.058 -3.287 3.795 1.00 0.00 H new ATOM 1224 N LEU A 77 9.304 -8.257 4.844 1.00 0.00 N ATOM 1225 CA LEU A 77 8.805 -9.545 4.375 1.00 0.00 C ATOM 1226 C LEU A 77 8.604 -10.508 5.541 1.00 0.00 C ATOM 1227 O LEU A 77 7.569 -11.166 5.642 1.00 0.00 O ATOM 1228 CB LEU A 77 9.775 -10.151 3.360 1.00 0.00 C ATOM 1229 CG LEU A 77 9.909 -9.406 2.031 1.00 0.00 C ATOM 1230 CD1 LEU A 77 11.042 -9.991 1.203 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.599 -9.456 1.258 1.00 0.00 C ATOM 0 H LEU A 77 10.151 -7.937 4.374 1.00 0.00 H new ATOM 0 HA LEU A 77 7.841 -9.380 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.761 -10.211 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.459 -11.173 3.150 1.00 0.00 H new ATOM 0 HG LEU A 77 10.143 -8.363 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.122 -9.448 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.978 -9.902 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.839 -11.042 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.712 -8.921 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.335 -10.494 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.810 -8.989 1.848 1.00 0.00 H new ATOM 1243 N GLN A 78 9.599 -10.582 6.419 1.00 0.00 N ATOM 1244 CA GLN A 78 9.530 -11.463 7.578 1.00 0.00 C ATOM 1245 C GLN A 78 8.164 -11.371 8.252 1.00 0.00 C ATOM 1246 O GLN A 78 7.631 -12.368 8.738 1.00 0.00 O ATOM 1247 CB GLN A 78 10.630 -11.110 8.580 1.00 0.00 C ATOM 1248 CG GLN A 78 12.028 -11.133 7.982 1.00 0.00 C ATOM 1249 CD GLN A 78 12.698 -12.486 8.116 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.082 -13.524 7.869 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.966 -12.483 8.509 1.00 0.00 N ATOM 0 H GLN A 78 10.462 -10.043 6.350 1.00 0.00 H new ATOM 0 HA GLN A 78 9.677 -12.487 7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.434 -10.118 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.589 -11.811 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.972 -10.862 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.642 -10.378 8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.438 -11.600 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.469 -13.364 8.617 1.00 0.00 H new ATOM 1260 N LYS A 79 7.603 -10.167 8.277 1.00 0.00 N ATOM 1261 CA LYS A 79 6.299 -9.943 8.889 1.00 0.00 C ATOM 1262 C LYS A 79 5.175 -10.298 7.921 1.00 0.00 C ATOM 1263 O LYS A 79 4.359 -11.177 8.199 1.00 0.00 O ATOM 1264 CB LYS A 79 6.164 -8.484 9.331 1.00 0.00 C ATOM 1265 CG LYS A 79 4.785 -8.135 9.863 1.00 0.00 C ATOM 1266 CD LYS A 79 4.612 -6.634 10.023 1.00 0.00 C ATOM 1267 CE LYS A 79 3.646 -6.300 11.150 1.00 0.00 C ATOM 1268 NZ LYS A 79 4.289 -6.431 12.487 1.00 0.00 N ATOM 0 H LYS A 79 8.031 -9.331 7.880 1.00 0.00 H new ATOM 0 HA LYS A 79 6.220 -10.590 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.905 -8.277 10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.393 -7.834 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.024 -8.519 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.630 -8.624 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.580 -6.175 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.245 -6.208 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.277 -5.282 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.782 -6.962 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.599 -6.195 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.619 -7.408 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.099 -5.781 12.548 1.00 0.00 H new ATOM 1282 N GLN A 80 5.140 -9.611 6.784 1.00 0.00 N ATOM 1283 CA GLN A 80 4.116 -9.856 5.775 1.00 0.00 C ATOM 1284 C GLN A 80 3.769 -11.339 5.701 1.00 0.00 C ATOM 1285 O GLN A 80 2.622 -11.706 5.442 1.00 0.00 O ATOM 1286 CB GLN A 80 4.589 -9.361 4.407 1.00 0.00 C ATOM 1287 CG GLN A 80 3.666 -9.754 3.265 1.00 0.00 C ATOM 1288 CD GLN A 80 4.373 -9.780 1.925 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.485 -9.268 1.787 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.732 -10.378 0.928 1.00 0.00 N ATOM 0 H GLN A 80 5.808 -8.881 6.538 1.00 0.00 H new ATOM 0 HA GLN A 80 3.220 -9.306 6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.678 -8.275 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.585 -9.758 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.243 -10.738 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.833 -9.052 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.812 -10.789 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.159 -10.426 0.003 1.00 0.00 H new ATOM 1299 N ARG A 81 4.766 -12.187 5.928 1.00 0.00 N ATOM 1300 CA ARG A 81 4.566 -13.631 5.885 1.00 0.00 C ATOM 1301 C ARG A 81 4.023 -14.144 7.215 1.00 0.00 C ATOM 1302 O ARG A 81 3.146 -15.007 7.246 1.00 0.00 O ATOM 1303 CB ARG A 81 5.881 -14.339 5.551 1.00 0.00 C ATOM 1304 CG ARG A 81 6.964 -14.139 6.598 1.00 0.00 C ATOM 1305 CD ARG A 81 8.262 -14.821 6.195 1.00 0.00 C ATOM 1306 NE ARG A 81 8.958 -14.091 5.139 1.00 0.00 N ATOM 1307 CZ ARG A 81 10.195 -14.372 4.744 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.868 -15.362 5.315 1.00 0.00 N ATOM 1309 NH2 ARG A 81 10.762 -13.662 3.777 1.00 0.00 N ATOM 0 H ARG A 81 5.721 -11.900 6.144 1.00 0.00 H new ATOM 0 HA ARG A 81 3.836 -13.849 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.690 -15.406 5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.245 -13.976 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.141 -13.073 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.625 -14.537 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.912 -14.907 7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.049 -15.835 5.855 1.00 0.00 H new ATOM 0 HE ARG A 81 8.468 -13.324 4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.436 -15.910 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.818 -15.576 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.248 -12.899 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.712 -13.879 3.475 1.00 0.00 H new ATOM 1323 N GLU A 82 4.551 -13.608 8.311 1.00 0.00 N ATOM 1324 CA GLU A 82 4.119 -14.014 9.643 1.00 0.00 C ATOM 1325 C GLU A 82 2.628 -13.751 9.836 1.00 0.00 C ATOM 1326 O GLU A 82 1.937 -14.504 10.523 1.00 0.00 O ATOM 1327 CB GLU A 82 4.922 -13.269 10.712 1.00 0.00 C ATOM 1328 CG GLU A 82 4.248 -12.000 11.205 1.00 0.00 C ATOM 1329 CD GLU A 82 5.079 -11.260 12.235 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.320 -11.398 12.207 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.488 -10.541 13.068 1.00 0.00 O ATOM 0 H GLU A 82 5.278 -12.892 8.303 1.00 0.00 H new ATOM 0 HA GLU A 82 4.297 -15.085 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.088 -13.935 11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.902 -13.016 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.057 -11.342 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.280 -12.252 11.638 1.00 0.00 H new ATOM 1338 N LEU A 83 2.139 -12.678 9.224 1.00 0.00 N ATOM 1339 CA LEU A 83 0.730 -12.314 9.328 1.00 0.00 C ATOM 1340 C LEU A 83 -0.124 -13.179 8.407 1.00 0.00 C ATOM 1341 O LEU A 83 -1.024 -13.885 8.862 1.00 0.00 O ATOM 1342 CB LEU A 83 0.538 -10.837 8.982 1.00 0.00 C ATOM 1343 CG LEU A 83 1.510 -9.860 9.646 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.577 -8.559 8.862 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.100 -9.596 11.087 1.00 0.00 C ATOM 0 H LEU A 83 2.697 -12.045 8.651 1.00 0.00 H new ATOM 0 HA LEU A 83 0.410 -12.484 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.622 -10.724 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.477 -10.550 9.255 1.00 0.00 H new ATOM 0 HG LEU A 83 2.503 -10.310 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.273 -7.876 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.919 -8.763 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.587 -8.104 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.803 -8.899 11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.098 -9.167 11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.105 -10.533 11.644 1.00 0.00 H new ATOM 1357 N GLN A 84 0.165 -13.120 7.111 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.576 -13.900 6.127 1.00 0.00 C ATOM 1359 C GLN A 84 -0.745 -15.343 6.590 1.00 0.00 C ATOM 1360 O GLN A 84 -1.674 -16.036 6.175 1.00 0.00 O ATOM 1361 CB GLN A 84 0.138 -13.866 4.775 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.110 -12.590 3.988 1.00 0.00 C ATOM 1363 CD GLN A 84 0.481 -12.641 2.592 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.636 -13.715 2.010 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.813 -11.477 2.047 1.00 0.00 N ATOM 0 H GLN A 84 0.907 -12.540 6.718 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.565 -13.455 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.210 -13.981 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.188 -14.719 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.183 -12.414 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.317 -11.745 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.667 -10.611 2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.214 -11.449 1.110 1.00 0.00 H new ATOM 1374 N LYS A 85 0.160 -15.791 7.454 1.00 0.00 N ATOM 1375 CA LYS A 85 0.112 -17.152 7.976 1.00 0.00 C ATOM 1376 C LYS A 85 -0.599 -17.193 9.325 1.00 0.00 C ATOM 1377 O LYS A 85 -1.233 -18.189 9.673 1.00 0.00 O ATOM 1378 CB LYS A 85 1.528 -17.716 8.116 1.00 0.00 C ATOM 1379 CG LYS A 85 2.274 -17.192 9.331 1.00 0.00 C ATOM 1380 CD LYS A 85 3.449 -18.085 9.692 1.00 0.00 C ATOM 1381 CE LYS A 85 3.025 -19.219 10.613 1.00 0.00 C ATOM 1382 NZ LYS A 85 2.485 -18.712 11.905 1.00 0.00 N ATOM 0 H LYS A 85 0.936 -15.231 7.808 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.449 -17.766 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.473 -18.803 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.097 -17.474 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.631 -16.182 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.591 -17.127 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.887 -18.497 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.223 -17.491 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.268 -19.826 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.879 -19.869 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.633 -19.426 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.977 -17.834 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.467 -18.522 11.805 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.490 -16.104 10.079 1.00 0.00 N ATOM 1397 CA ALA A 86 -1.126 -16.015 11.388 1.00 0.00 C ATOM 1398 C ALA A 86 -2.643 -16.116 11.269 1.00 0.00 C ATOM 1399 O ALA A 86 -3.288 -16.834 12.032 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.734 -14.717 12.078 1.00 0.00 C ATOM 0 H ALA A 86 0.032 -15.272 9.806 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.778 -16.854 11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.216 -14.664 13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.348 -14.685 12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.053 -13.871 11.469 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.206 -15.391 10.308 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.649 -15.398 10.092 1.00 0.00 C ATOM 1408 C ASN A 87 -4.979 -15.761 8.647 1.00 0.00 C ATOM 1409 O ASN A 87 -5.019 -14.894 7.774 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.244 -14.031 10.436 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.636 -13.435 11.690 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -4.818 -13.956 12.790 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.908 -12.336 11.529 1.00 0.00 N ATOM 0 H ASN A 87 -2.686 -14.792 9.667 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.087 -16.151 10.747 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.088 -13.349 9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.321 -14.130 10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.473 -11.890 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.784 -11.938 10.598 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.217 -17.046 8.404 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.544 -17.522 7.066 1.00 0.00 C ATOM 1422 C GLN A 88 -6.998 -17.217 6.720 1.00 0.00 C ATOM 1423 O GLN A 88 -7.284 -16.592 5.699 1.00 0.00 O ATOM 1424 CB GLN A 88 -5.288 -19.026 6.960 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.833 -19.412 7.173 1.00 0.00 C ATOM 1426 CD GLN A 88 -3.031 -19.399 5.886 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -2.660 -20.449 5.362 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.761 -18.206 5.369 1.00 0.00 N ATOM 0 H GLN A 88 -5.189 -17.776 9.116 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.903 -17.000 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.904 -19.544 7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.607 -19.372 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.379 -18.724 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.786 -20.407 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.089 -17.361 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.226 -18.134 4.503 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.911 -17.661 7.577 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.336 -17.436 7.360 1.00 0.00 C ATOM 1439 C GLU A 89 -9.594 -16.009 6.886 1.00 0.00 C ATOM 1440 O GLU A 89 -10.168 -15.793 5.819 1.00 0.00 O ATOM 1441 CB GLU A 89 -10.119 -17.708 8.646 1.00 0.00 C ATOM 1442 CG GLU A 89 -10.456 -19.175 8.854 1.00 0.00 C ATOM 1443 CD GLU A 89 -11.510 -19.386 9.923 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -11.247 -19.037 11.093 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -12.598 -19.900 9.590 1.00 0.00 O ATOM 0 H GLU A 89 -7.690 -18.178 8.428 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.674 -18.125 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.538 -17.353 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.043 -17.130 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.808 -19.600 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.551 -19.716 9.130 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.168 -15.038 7.689 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.355 -13.632 7.352 1.00 0.00 C ATOM 1454 C GLN A 90 -8.906 -13.350 5.922 1.00 0.00 C ATOM 1455 O GLN A 90 -9.697 -12.907 5.089 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.579 -12.745 8.327 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.189 -12.692 9.719 1.00 0.00 C ATOM 1458 CD GLN A 90 -10.538 -12.001 9.738 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -11.574 -12.641 9.925 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -10.534 -10.687 9.544 1.00 0.00 N ATOM 0 H GLN A 90 -8.692 -15.200 8.576 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.418 -13.404 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.555 -13.111 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.528 -11.734 7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.299 -13.706 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.508 -12.170 10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.653 -10.196 9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.412 -10.168 9.546 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.633 -13.609 5.646 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.078 -13.380 4.317 1.00 0.00 C ATOM 1471 C TYR A 91 -7.946 -14.030 3.244 1.00 0.00 C ATOM 1472 O TYR A 91 -8.386 -13.372 2.302 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.652 -13.928 4.235 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.771 -13.180 3.261 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -4.818 -13.454 1.899 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -3.890 -12.200 3.701 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.014 -12.774 1.005 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.083 -11.514 2.814 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.149 -11.805 1.467 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.346 -11.124 0.581 1.00 0.00 O ATOM 0 H TYR A 91 -6.966 -13.977 6.324 1.00 0.00 H new ATOM 0 HA TYR A 91 -7.058 -12.305 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.199 -13.889 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.691 -14.978 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.495 -14.212 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.835 -11.970 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.063 -13.000 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.404 -10.754 3.173 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.602 -10.178 0.568 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.190 -15.328 3.396 1.00 0.00 N ATOM 1491 CA ALA A 92 -9.008 -16.068 2.443 1.00 0.00 C ATOM 1492 C ALA A 92 -10.281 -15.301 2.101 1.00 0.00 C ATOM 1493 O ALA A 92 -10.718 -15.290 0.951 1.00 0.00 O ATOM 1494 CB ALA A 92 -9.351 -17.443 2.998 1.00 0.00 C ATOM 0 H ALA A 92 -7.833 -15.888 4.170 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.432 -16.192 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.962 -17.985 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.433 -17.999 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.904 -17.331 3.930 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.871 -14.663 3.107 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.095 -13.896 2.911 1.00 0.00 C ATOM 1502 C GLU A 93 -12.089 -13.199 1.553 1.00 0.00 C ATOM 1503 O GLU A 93 -11.049 -12.736 1.086 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.260 -12.862 4.027 1.00 0.00 C ATOM 1505 CG GLU A 93 -13.659 -12.274 4.111 1.00 0.00 C ATOM 1506 CD GLU A 93 -13.666 -10.864 4.667 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -13.408 -10.702 5.878 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -13.931 -9.922 3.891 1.00 0.00 O ATOM 0 H GLU A 93 -10.521 -14.662 4.065 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.936 -14.589 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.013 -13.327 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.545 -12.055 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.108 -12.271 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.280 -12.912 4.740 1.00 0.00 H new ATOM 1515 N GLY A 94 -13.259 -13.128 0.925 1.00 0.00 N ATOM 1516 CA GLY A 94 -13.366 -12.487 -0.373 1.00 0.00 C ATOM 1517 C GLY A 94 -12.983 -13.413 -1.510 1.00 0.00 C ATOM 1518 O GLY A 94 -13.675 -13.479 -2.527 1.00 0.00 O ATOM 0 H GLY A 94 -14.134 -13.503 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.389 -12.140 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.724 -11.606 -0.394 1.00 0.00 H new ATOM 1522 N LYS A 95 -11.876 -14.128 -1.341 1.00 0.00 N ATOM 1523 CA LYS A 95 -11.401 -15.055 -2.362 1.00 0.00 C ATOM 1524 C LYS A 95 -12.445 -16.129 -2.651 1.00 0.00 C ATOM 1525 O LYS A 95 -12.935 -16.792 -1.738 1.00 0.00 O ATOM 1526 CB LYS A 95 -10.091 -15.709 -1.915 1.00 0.00 C ATOM 1527 CG LYS A 95 -8.974 -14.715 -1.649 1.00 0.00 C ATOM 1528 CD LYS A 95 -7.624 -15.405 -1.557 1.00 0.00 C ATOM 1529 CE LYS A 95 -6.509 -14.412 -1.264 1.00 0.00 C ATOM 1530 NZ LYS A 95 -5.961 -13.811 -2.511 1.00 0.00 N ATOM 0 H LYS A 95 -11.291 -14.083 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.225 -14.490 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.274 -16.288 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.765 -16.412 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.950 -13.971 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.175 -14.181 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.654 -16.162 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.415 -15.923 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.887 -13.622 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.709 -14.914 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.204 -13.140 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.577 -14.562 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.719 -13.310 -3.017 1.00 0.00 H new ATOM 1544 N MET A 96 -12.779 -16.294 -3.927 1.00 0.00 N ATOM 1545 CA MET A 96 -13.763 -17.289 -4.336 1.00 0.00 C ATOM 1546 C MET A 96 -13.078 -18.549 -4.855 1.00 0.00 C ATOM 1547 O MET A 96 -11.990 -18.485 -5.427 1.00 0.00 O ATOM 1548 CB MET A 96 -14.684 -16.714 -5.413 1.00 0.00 C ATOM 1549 CG MET A 96 -13.975 -16.418 -6.724 1.00 0.00 C ATOM 1550 SD MET A 96 -14.911 -15.299 -7.784 1.00 0.00 S ATOM 1551 CE MET A 96 -16.377 -16.280 -8.099 1.00 0.00 C ATOM 0 H MET A 96 -12.383 -15.752 -4.695 1.00 0.00 H new ATOM 0 HA MET A 96 -14.359 -17.554 -3.463 1.00 0.00 H new ATOM 0 HB2 MET A 96 -15.495 -17.418 -5.599 1.00 0.00 H new ATOM 0 HB3 MET A 96 -15.138 -15.796 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.999 -15.981 -6.514 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.798 -17.353 -7.256 1.00 0.00 H new ATOM 0 HE1 MET A 96 -17.007 -15.769 -8.827 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.085 -17.254 -8.492 1.00 0.00 H new ATOM 0 HE3 MET A 96 -16.931 -16.415 -7.170 1.00 0.00 H new ATOM 1561 N ARG A 97 -13.722 -19.694 -4.652 1.00 0.00 N ATOM 1562 CA ARG A 97 -13.174 -20.969 -5.099 1.00 0.00 C ATOM 1563 C ARG A 97 -14.110 -21.644 -6.097 1.00 0.00 C ATOM 1564 O ARG A 97 -15.331 -21.560 -5.973 1.00 0.00 O ATOM 1565 CB ARG A 97 -12.935 -21.893 -3.903 1.00 0.00 C ATOM 1566 CG ARG A 97 -11.565 -21.723 -3.266 1.00 0.00 C ATOM 1567 CD ARG A 97 -11.542 -22.259 -1.844 1.00 0.00 C ATOM 1568 NE ARG A 97 -11.462 -23.717 -1.810 1.00 0.00 N ATOM 1569 CZ ARG A 97 -10.399 -24.405 -2.212 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -9.331 -23.770 -2.676 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -10.402 -25.730 -2.151 1.00 0.00 N ATOM 0 H ARG A 97 -14.624 -19.765 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 97 -12.223 -20.773 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.702 -21.706 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.051 -22.928 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.817 -22.243 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.292 -20.668 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.690 -21.837 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.440 -21.933 -1.319 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.267 -24.236 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.325 -22.751 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.516 -24.300 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.221 -26.222 -1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.585 -26.257 -2.460 1.00 0.00 H new ATOM 1585 N GLY A 98 -13.528 -22.312 -7.088 1.00 0.00 N ATOM 1586 CA GLY A 98 -14.325 -22.991 -8.094 1.00 0.00 C ATOM 1587 C GLY A 98 -13.798 -22.769 -9.497 1.00 0.00 C ATOM 1588 O GLY A 98 -13.254 -21.708 -9.803 1.00 0.00 O ATOM 0 H GLY A 98 -12.519 -22.395 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.341 -24.060 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.355 -22.639 -8.036 1.00 0.00 H new ATOM 1592 N ALA A 99 -13.958 -23.773 -10.353 1.00 0.00 N ATOM 1593 CA ALA A 99 -13.495 -23.682 -11.732 1.00 0.00 C ATOM 1594 C ALA A 99 -14.571 -23.090 -12.635 1.00 0.00 C ATOM 1595 O ALA A 99 -15.739 -23.472 -12.557 1.00 0.00 O ATOM 1596 CB ALA A 99 -13.074 -25.054 -12.239 1.00 0.00 C ATOM 0 H ALA A 99 -14.405 -24.659 -10.116 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.632 -23.017 -11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.730 -24.971 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.266 -25.439 -11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.924 -25.735 -12.193 1.00 0.00 H new ATOM 1602 N ALA A 100 -14.171 -22.156 -13.491 1.00 0.00 N ATOM 1603 CA ALA A 100 -15.102 -21.512 -14.410 1.00 0.00 C ATOM 1604 C ALA A 100 -15.843 -22.544 -15.253 1.00 0.00 C ATOM 1605 O ALA A 100 -15.293 -23.086 -16.213 1.00 0.00 O ATOM 1606 CB ALA A 100 -14.364 -20.527 -15.305 1.00 0.00 C ATOM 0 H ALA A 100 -13.208 -21.828 -13.568 1.00 0.00 H new ATOM 0 HA ALA A 100 -15.839 -20.967 -13.820 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.071 -20.054 -15.986 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -13.886 -19.764 -14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.605 -21.057 -15.881 1.00 0.00 H new TER 1612 ALA A 100