USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 54 TYR OH : rot 130:sc= 0.697 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.0692 K(o=0.63,f=0.084!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -123:sc= -0.432 (180deg=-0.637) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= -0.695 USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0146 K(o=-0.74,f=-1.4) USER MOD Set 3.2: A 26 ASN : amide:sc= -0.723! C(o=-0.74!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.9!) USER MOD Single : A 24 HIS : no HD1:sc= -3.45! C(o=-3.5!,f=-4.4!) USER MOD Single : A 32 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.6!) USER MOD Single : A 35 SER OG : rot 61:sc= 0.00468 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= -0.264 (180deg=-1.65!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-0.81) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.901 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 153:sc= 0 (180deg=-0.0974) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 127:sc= -1.12 USER MOD Single : A 58 GLN : amide:sc=-0.00269 K(o=-0.0027,f=-1.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -142:sc= -5.3! (180deg=-8.38!) USER MOD Single : A 64 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.42) USER MOD Single : A 72 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-0.85) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 82 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 85 MET CE :methyl 170:sc= -7.81! (180deg=-8.56!) USER MOD Single : A 96 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.4!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 27:sc= 0.0654 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.583 20.671 -31.693 1.00 0.00 N ATOM 2 CA GLY A 1 18.618 20.902 -30.634 1.00 0.00 C ATOM 3 C GLY A 1 17.419 19.979 -30.731 1.00 0.00 C ATOM 4 O GLY A 1 17.521 18.785 -30.448 1.00 0.00 O ATOM 0 H1 GLY A 1 20.383 21.326 -31.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.928 19.691 -31.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.130 20.830 -32.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.103 20.762 -29.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.280 21.937 -30.674 1.00 0.00 H new ATOM 8 N SER A 2 16.278 20.533 -31.130 1.00 0.00 N ATOM 9 CA SER A 2 15.053 19.753 -31.258 1.00 0.00 C ATOM 10 C SER A 2 14.800 18.929 -29.999 1.00 0.00 C ATOM 11 O SER A 2 14.468 17.745 -30.075 1.00 0.00 O ATOM 12 CB SER A 2 15.135 18.831 -32.476 1.00 0.00 C ATOM 13 OG SER A 2 14.927 19.554 -33.677 1.00 0.00 O ATOM 0 H SER A 2 16.177 21.519 -31.370 1.00 0.00 H new ATOM 0 HA SER A 2 14.222 20.446 -31.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.111 18.346 -32.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.389 18.041 -32.389 1.00 0.00 H new ATOM 0 HG SER A 2 14.986 18.943 -34.441 1.00 0.00 H new ATOM 19 N SER A 3 14.959 19.563 -28.842 1.00 0.00 N ATOM 20 CA SER A 3 14.752 18.889 -27.566 1.00 0.00 C ATOM 21 C SER A 3 13.264 18.756 -27.257 1.00 0.00 C ATOM 22 O SER A 3 12.420 19.312 -27.960 1.00 0.00 O ATOM 23 CB SER A 3 15.452 19.654 -26.441 1.00 0.00 C ATOM 24 OG SER A 3 14.893 20.946 -26.279 1.00 0.00 O ATOM 0 H SER A 3 15.231 20.543 -28.762 1.00 0.00 H new ATOM 0 HA SER A 3 15.181 17.890 -27.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.364 19.097 -25.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.516 19.740 -26.662 1.00 0.00 H new ATOM 0 HG SER A 3 15.356 21.414 -25.553 1.00 0.00 H new ATOM 30 N GLY A 4 12.949 18.015 -26.198 1.00 0.00 N ATOM 31 CA GLY A 4 11.563 17.822 -25.814 1.00 0.00 C ATOM 32 C GLY A 4 11.374 17.820 -24.310 1.00 0.00 C ATOM 33 O GLY A 4 11.899 16.951 -23.613 1.00 0.00 O ATOM 0 H GLY A 4 13.629 17.545 -25.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.954 18.612 -26.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.204 16.878 -26.224 1.00 0.00 H new ATOM 37 N SER A 5 10.623 18.795 -23.808 1.00 0.00 N ATOM 38 CA SER A 5 10.370 18.905 -22.376 1.00 0.00 C ATOM 39 C SER A 5 9.043 19.610 -22.111 1.00 0.00 C ATOM 40 O SER A 5 8.594 20.432 -22.910 1.00 0.00 O ATOM 41 CB SER A 5 11.509 19.663 -21.692 1.00 0.00 C ATOM 42 OG SER A 5 11.668 20.956 -22.250 1.00 0.00 O ATOM 0 H SER A 5 10.179 19.520 -24.372 1.00 0.00 H new ATOM 0 HA SER A 5 10.315 17.898 -21.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.305 19.747 -20.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.438 19.102 -21.796 1.00 0.00 H new ATOM 0 HG SER A 5 12.401 21.421 -21.795 1.00 0.00 H new ATOM 48 N SER A 6 8.421 19.282 -20.983 1.00 0.00 N ATOM 49 CA SER A 6 7.143 19.880 -20.613 1.00 0.00 C ATOM 50 C SER A 6 7.020 20.005 -19.098 1.00 0.00 C ATOM 51 O SER A 6 7.593 19.213 -18.350 1.00 0.00 O ATOM 52 CB SER A 6 5.986 19.044 -21.163 1.00 0.00 C ATOM 53 OG SER A 6 5.961 17.757 -20.571 1.00 0.00 O ATOM 0 H SER A 6 8.781 18.606 -20.310 1.00 0.00 H new ATOM 0 HA SER A 6 7.098 20.879 -21.047 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.042 19.554 -20.972 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.084 18.949 -22.244 1.00 0.00 H new ATOM 0 HG SER A 6 5.212 17.243 -20.938 1.00 0.00 H new ATOM 59 N GLY A 7 6.268 21.006 -18.652 1.00 0.00 N ATOM 60 CA GLY A 7 6.083 21.218 -17.228 1.00 0.00 C ATOM 61 C GLY A 7 4.635 21.483 -16.864 1.00 0.00 C ATOM 62 O GLY A 7 4.042 22.458 -17.325 1.00 0.00 O ATOM 0 H GLY A 7 5.783 21.674 -19.251 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.436 20.342 -16.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.695 22.061 -16.907 1.00 0.00 H new ATOM 66 N MET A 8 4.065 20.612 -16.038 1.00 0.00 N ATOM 67 CA MET A 8 2.678 20.757 -15.614 1.00 0.00 C ATOM 68 C MET A 8 2.326 19.729 -14.543 1.00 0.00 C ATOM 69 O MET A 8 3.076 18.783 -14.308 1.00 0.00 O ATOM 70 CB MET A 8 1.738 20.605 -16.811 1.00 0.00 C ATOM 71 CG MET A 8 1.820 19.242 -17.479 1.00 0.00 C ATOM 72 SD MET A 8 3.060 19.183 -18.786 1.00 0.00 S ATOM 73 CE MET A 8 2.044 19.481 -20.231 1.00 0.00 C ATOM 0 H MET A 8 4.542 19.799 -15.649 1.00 0.00 H new ATOM 0 HA MET A 8 2.557 21.754 -15.190 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.713 20.778 -16.482 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.971 21.375 -17.546 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.053 18.487 -16.728 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.846 18.987 -17.896 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.670 19.474 -21.123 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.288 18.700 -20.312 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.555 20.451 -20.138 1.00 0.00 H new ATOM 83 N ALA A 9 1.182 19.923 -13.896 1.00 0.00 N ATOM 84 CA ALA A 9 0.731 19.012 -12.851 1.00 0.00 C ATOM 85 C ALA A 9 1.892 18.577 -11.964 1.00 0.00 C ATOM 86 O ALA A 9 1.908 17.458 -11.451 1.00 0.00 O ATOM 87 CB ALA A 9 0.051 17.798 -13.467 1.00 0.00 C ATOM 0 H ALA A 9 0.550 20.703 -14.077 1.00 0.00 H new ATOM 0 HA ALA A 9 0.010 19.541 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.281 17.126 -12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.809 18.121 -14.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.755 17.276 -14.114 1.00 0.00 H new ATOM 93 N ASP A 10 2.861 19.468 -11.787 1.00 0.00 N ATOM 94 CA ASP A 10 4.027 19.175 -10.961 1.00 0.00 C ATOM 95 C ASP A 10 4.139 20.168 -9.808 1.00 0.00 C ATOM 96 O ASP A 10 4.973 20.008 -8.918 1.00 0.00 O ATOM 97 CB ASP A 10 5.300 19.211 -11.807 1.00 0.00 C ATOM 98 CG ASP A 10 5.567 20.583 -12.394 1.00 0.00 C ATOM 99 OD1 ASP A 10 6.114 21.443 -11.671 1.00 0.00 O ATOM 100 OD2 ASP A 10 5.228 20.798 -13.577 1.00 0.00 O ATOM 0 H ASP A 10 2.863 20.399 -12.204 1.00 0.00 H new ATOM 0 HA ASP A 10 3.905 18.175 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.149 18.910 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.217 18.484 -12.614 1.00 0.00 H new ATOM 105 N GLU A 11 3.293 21.194 -9.833 1.00 0.00 N ATOM 106 CA GLU A 11 3.299 22.213 -8.790 1.00 0.00 C ATOM 107 C GLU A 11 2.379 21.819 -7.638 1.00 0.00 C ATOM 108 O GLU A 11 2.641 22.143 -6.480 1.00 0.00 O ATOM 109 CB GLU A 11 2.866 23.564 -9.364 1.00 0.00 C ATOM 110 CG GLU A 11 4.013 24.376 -9.941 1.00 0.00 C ATOM 111 CD GLU A 11 3.598 25.785 -10.319 1.00 0.00 C ATOM 112 OE1 GLU A 11 2.578 25.935 -11.023 1.00 0.00 O ATOM 113 OE2 GLU A 11 4.294 26.737 -9.910 1.00 0.00 O ATOM 0 H GLU A 11 2.596 21.341 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 11 4.316 22.298 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.122 23.397 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.380 24.144 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.823 24.423 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.406 23.868 -10.822 1.00 0.00 H new ATOM 120 N LYS A 12 1.299 21.118 -7.965 1.00 0.00 N ATOM 121 CA LYS A 12 0.339 20.678 -6.960 1.00 0.00 C ATOM 122 C LYS A 12 1.014 19.799 -5.911 1.00 0.00 C ATOM 123 O LYS A 12 1.025 20.111 -4.720 1.00 0.00 O ATOM 124 CB LYS A 12 -0.808 19.910 -7.621 1.00 0.00 C ATOM 125 CG LYS A 12 -2.010 20.778 -7.951 1.00 0.00 C ATOM 126 CD LYS A 12 -1.720 21.713 -9.113 1.00 0.00 C ATOM 127 CE LYS A 12 -2.930 22.571 -9.453 1.00 0.00 C ATOM 128 NZ LYS A 12 -4.066 21.753 -9.958 1.00 0.00 N ATOM 0 H LYS A 12 1.066 20.842 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.062 21.563 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.443 19.446 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.123 19.104 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.862 20.144 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.290 21.362 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.876 22.355 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.429 21.130 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.245 23.122 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.652 23.309 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.790 22.378 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.723 21.097 -10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.480 21.212 -9.173 1.00 0.00 H new ATOM 142 N PRO A 13 1.591 18.675 -6.361 1.00 0.00 N ATOM 143 CA PRO A 13 2.280 17.730 -5.477 1.00 0.00 C ATOM 144 C PRO A 13 3.585 18.297 -4.928 1.00 0.00 C ATOM 145 O PRO A 13 4.522 18.565 -5.679 1.00 0.00 O ATOM 146 CB PRO A 13 2.558 16.532 -6.387 1.00 0.00 C ATOM 147 CG PRO A 13 2.597 17.102 -7.763 1.00 0.00 C ATOM 148 CD PRO A 13 1.615 18.240 -7.767 1.00 0.00 C ATOM 0 HA PRO A 13 1.684 17.485 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.502 16.051 -6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.779 15.775 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.599 17.450 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.327 16.350 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.934 19.044 -8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.630 17.919 -8.105 1.00 0.00 H new ATOM 156 N LYS A 14 3.639 18.476 -3.612 1.00 0.00 N ATOM 157 CA LYS A 14 4.830 19.009 -2.961 1.00 0.00 C ATOM 158 C LYS A 14 5.571 17.914 -2.201 1.00 0.00 C ATOM 159 O LYS A 14 4.957 16.975 -1.694 1.00 0.00 O ATOM 160 CB LYS A 14 4.449 20.141 -2.004 1.00 0.00 C ATOM 161 CG LYS A 14 3.431 19.733 -0.953 1.00 0.00 C ATOM 162 CD LYS A 14 3.144 20.867 0.016 1.00 0.00 C ATOM 163 CE LYS A 14 2.555 20.351 1.320 1.00 0.00 C ATOM 164 NZ LYS A 14 3.615 19.986 2.300 1.00 0.00 N ATOM 0 H LYS A 14 2.872 18.260 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 14 5.491 19.401 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.349 20.502 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.048 20.974 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.506 19.427 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.802 18.868 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.065 21.412 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.452 21.573 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.907 21.113 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.932 19.480 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.174 19.639 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.218 19.241 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.194 20.823 2.513 1.00 0.00 H new ATOM 178 N GLU A 15 6.892 18.042 -2.125 1.00 0.00 N ATOM 179 CA GLU A 15 7.714 17.062 -1.425 1.00 0.00 C ATOM 180 C GLU A 15 7.531 17.177 0.085 1.00 0.00 C ATOM 181 O GLU A 15 7.183 18.238 0.600 1.00 0.00 O ATOM 182 CB GLU A 15 9.189 17.250 -1.787 1.00 0.00 C ATOM 183 CG GLU A 15 9.623 16.455 -3.007 1.00 0.00 C ATOM 184 CD GLU A 15 9.281 17.151 -4.309 1.00 0.00 C ATOM 185 OE1 GLU A 15 8.080 17.220 -4.647 1.00 0.00 O ATOM 186 OE2 GLU A 15 10.212 17.626 -4.991 1.00 0.00 O ATOM 0 H GLU A 15 7.415 18.814 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 15 7.394 16.068 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.378 18.308 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.803 16.957 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.699 16.286 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.145 15.476 -2.987 1.00 0.00 H new ATOM 193 N GLY A 16 7.768 16.074 0.790 1.00 0.00 N ATOM 194 CA GLY A 16 7.623 16.071 2.234 1.00 0.00 C ATOM 195 C GLY A 16 8.795 16.728 2.935 1.00 0.00 C ATOM 196 O GLY A 16 9.762 17.139 2.293 1.00 0.00 O ATOM 0 H GLY A 16 8.058 15.183 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.704 16.590 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.524 15.044 2.584 1.00 0.00 H new ATOM 200 N VAL A 17 8.710 16.830 4.258 1.00 0.00 N ATOM 201 CA VAL A 17 9.772 17.443 5.047 1.00 0.00 C ATOM 202 C VAL A 17 10.866 16.433 5.374 1.00 0.00 C ATOM 203 O VAL A 17 10.671 15.225 5.243 1.00 0.00 O ATOM 204 CB VAL A 17 9.225 18.033 6.361 1.00 0.00 C ATOM 205 CG1 VAL A 17 8.204 19.123 6.072 1.00 0.00 C ATOM 206 CG2 VAL A 17 8.618 16.938 7.225 1.00 0.00 C ATOM 0 H VAL A 17 7.917 16.496 4.806 1.00 0.00 H new ATOM 0 HA VAL A 17 10.192 18.247 4.443 1.00 0.00 H new ATOM 0 HB VAL A 17 10.053 18.480 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.828 19.528 7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.675 19.919 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.376 18.704 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.237 17.373 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.801 16.459 6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.381 16.196 7.461 1.00 0.00 H new ATOM 216 N LYS A 18 12.020 16.937 5.800 1.00 0.00 N ATOM 217 CA LYS A 18 13.147 16.080 6.147 1.00 0.00 C ATOM 218 C LYS A 18 13.254 15.907 7.659 1.00 0.00 C ATOM 219 O LYS A 18 13.880 16.716 8.345 1.00 0.00 O ATOM 220 CB LYS A 18 14.449 16.667 5.597 1.00 0.00 C ATOM 221 CG LYS A 18 14.735 16.273 4.158 1.00 0.00 C ATOM 222 CD LYS A 18 14.071 17.226 3.178 1.00 0.00 C ATOM 223 CE LYS A 18 14.841 18.533 3.063 1.00 0.00 C ATOM 224 NZ LYS A 18 13.958 19.663 2.664 1.00 0.00 N ATOM 0 H LYS A 18 12.199 17.935 5.913 1.00 0.00 H new ATOM 0 HA LYS A 18 12.978 15.101 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.405 17.754 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.278 16.342 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.812 16.267 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.378 15.259 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.005 16.754 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.051 17.431 3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.314 18.761 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.640 18.420 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.520 20.536 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.526 19.457 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.210 19.787 3.376 1.00 0.00 H new ATOM 238 N THR A 19 12.638 14.847 8.173 1.00 0.00 N ATOM 239 CA THR A 19 12.664 14.568 9.604 1.00 0.00 C ATOM 240 C THR A 19 12.949 13.094 9.871 1.00 0.00 C ATOM 241 O THR A 19 12.399 12.216 9.207 1.00 0.00 O ATOM 242 CB THR A 19 11.332 14.952 10.275 1.00 0.00 C ATOM 243 OG1 THR A 19 10.979 16.296 9.929 1.00 0.00 O ATOM 244 CG2 THR A 19 11.431 14.822 11.787 1.00 0.00 C ATOM 0 H THR A 19 12.115 14.168 7.620 1.00 0.00 H new ATOM 0 HA THR A 19 13.464 15.173 10.030 1.00 0.00 H new ATOM 0 HB THR A 19 10.560 14.270 9.917 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.130 16.532 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.478 15.098 12.239 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.671 13.792 12.049 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.214 15.483 12.158 1.00 0.00 H new ATOM 252 N GLU A 20 13.811 12.830 10.848 1.00 0.00 N ATOM 253 CA GLU A 20 14.167 11.462 11.203 1.00 0.00 C ATOM 254 C GLU A 20 12.920 10.631 11.490 1.00 0.00 C ATOM 255 O GLU A 20 11.872 11.169 11.846 1.00 0.00 O ATOM 256 CB GLU A 20 15.092 11.451 12.422 1.00 0.00 C ATOM 257 CG GLU A 20 16.003 10.237 12.485 1.00 0.00 C ATOM 258 CD GLU A 20 17.310 10.449 11.746 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.293 10.444 10.497 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.349 10.620 12.417 1.00 0.00 O ATOM 0 H GLU A 20 14.275 13.546 11.407 1.00 0.00 H new ATOM 0 HA GLU A 20 14.690 11.020 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.704 12.353 12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.486 11.487 13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.214 10.000 13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.485 9.377 12.061 1.00 0.00 H new ATOM 267 N ASN A 21 13.041 9.317 11.330 1.00 0.00 N ATOM 268 CA ASN A 21 11.923 8.412 11.570 1.00 0.00 C ATOM 269 C ASN A 21 11.835 8.037 13.047 1.00 0.00 C ATOM 270 O ASN A 21 11.923 6.864 13.406 1.00 0.00 O ATOM 271 CB ASN A 21 12.072 7.148 10.720 1.00 0.00 C ATOM 272 CG ASN A 21 12.126 7.453 9.236 1.00 0.00 C ATOM 273 OD1 ASN A 21 11.109 7.764 8.616 1.00 0.00 O ATOM 274 ND2 ASN A 21 13.319 7.367 8.658 1.00 0.00 N ATOM 0 H ASN A 21 13.902 8.856 11.035 1.00 0.00 H new ATOM 0 HA ASN A 21 11.004 8.926 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.980 6.621 11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.236 6.478 10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.418 7.562 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.136 7.106 9.210 1.00 0.00 H new ATOM 281 N ASN A 22 11.659 9.043 13.897 1.00 0.00 N ATOM 282 CA ASN A 22 11.558 8.820 15.335 1.00 0.00 C ATOM 283 C ASN A 22 10.261 8.095 15.683 1.00 0.00 C ATOM 284 O ASN A 22 10.232 7.246 16.573 1.00 0.00 O ATOM 285 CB ASN A 22 11.628 10.151 16.085 1.00 0.00 C ATOM 286 CG ASN A 22 13.053 10.557 16.410 1.00 0.00 C ATOM 287 OD1 ASN A 22 13.875 10.751 15.513 1.00 0.00 O ATOM 288 ND2 ASN A 22 13.353 10.687 17.697 1.00 0.00 N ATOM 0 H ASN A 22 11.583 10.020 13.615 1.00 0.00 H new ATOM 0 HA ASN A 22 12.397 8.194 15.640 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.160 10.929 15.483 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.055 10.075 17.009 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.296 10.958 17.976 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.640 10.516 18.407 1.00 0.00 H new ATOM 295 N ASP A 23 9.190 8.437 14.975 1.00 0.00 N ATOM 296 CA ASP A 23 7.890 7.819 15.207 1.00 0.00 C ATOM 297 C ASP A 23 7.460 6.989 14.002 1.00 0.00 C ATOM 298 O ASP A 23 7.287 5.774 14.102 1.00 0.00 O ATOM 299 CB ASP A 23 6.839 8.889 15.507 1.00 0.00 C ATOM 300 CG ASP A 23 5.625 8.324 16.218 1.00 0.00 C ATOM 301 OD1 ASP A 23 5.715 8.077 17.439 1.00 0.00 O ATOM 302 OD2 ASP A 23 4.585 8.129 15.554 1.00 0.00 O ATOM 0 H ASP A 23 9.197 9.139 14.235 1.00 0.00 H new ATOM 0 HA ASP A 23 7.979 7.157 16.068 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.285 9.671 16.122 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.525 9.357 14.574 1.00 0.00 H new ATOM 307 N HIS A 24 7.288 7.653 12.863 1.00 0.00 N ATOM 308 CA HIS A 24 6.877 6.976 11.638 1.00 0.00 C ATOM 309 C HIS A 24 7.831 5.833 11.303 1.00 0.00 C ATOM 310 O HIS A 24 8.964 5.796 11.784 1.00 0.00 O ATOM 311 CB HIS A 24 6.823 7.968 10.476 1.00 0.00 C ATOM 312 CG HIS A 24 5.816 9.061 10.667 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.596 9.079 10.026 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.854 10.175 11.434 1.00 0.00 C ATOM 315 CE1 HIS A 24 3.927 10.159 10.389 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.668 10.840 11.244 1.00 0.00 N ATOM 0 H HIS A 24 7.427 8.659 12.763 1.00 0.00 H new ATOM 0 HA HIS A 24 5.882 6.560 11.798 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.809 8.413 10.343 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.591 7.428 9.558 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.666 10.484 12.076 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.942 10.437 10.045 1.00 0.00 H new ATOM 0 HE2 HIS A 24 4.402 11.718 11.691 1.00 0.00 H new ATOM 325 N ILE A 25 7.364 4.903 10.477 1.00 0.00 N ATOM 326 CA ILE A 25 8.176 3.760 10.078 1.00 0.00 C ATOM 327 C ILE A 25 8.105 3.534 8.572 1.00 0.00 C ATOM 328 O ILE A 25 7.023 3.519 7.987 1.00 0.00 O ATOM 329 CB ILE A 25 7.730 2.474 10.800 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.275 2.149 10.458 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.906 2.623 12.304 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.774 0.874 11.099 1.00 0.00 C ATOM 0 H ILE A 25 6.428 4.918 10.071 1.00 0.00 H new ATOM 0 HA ILE A 25 9.204 3.989 10.361 1.00 0.00 H new ATOM 0 HB ILE A 25 8.356 1.649 10.460 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.642 2.978 10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.174 2.066 9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.587 1.707 12.800 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.955 2.812 12.531 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.302 3.458 12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.736 0.707 10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.383 0.034 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.842 0.961 12.183 1.00 0.00 H new ATOM 344 N ASN A 26 9.266 3.356 7.950 1.00 0.00 N ATOM 345 CA ASN A 26 9.336 3.130 6.512 1.00 0.00 C ATOM 346 C ASN A 26 9.218 1.643 6.189 1.00 0.00 C ATOM 347 O ASN A 26 9.967 0.820 6.717 1.00 0.00 O ATOM 348 CB ASN A 26 10.648 3.682 5.950 1.00 0.00 C ATOM 349 CG ASN A 26 11.172 4.856 6.755 1.00 0.00 C ATOM 350 OD1 ASN A 26 11.231 4.804 7.984 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.556 5.923 6.064 1.00 0.00 N ATOM 0 H ASN A 26 10.171 3.364 8.420 1.00 0.00 H new ATOM 0 HA ASN A 26 8.501 3.653 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.397 2.890 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.495 3.993 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.917 6.743 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.490 5.922 5.046 1.00 0.00 H new ATOM 358 N LEU A 27 8.273 1.306 5.317 1.00 0.00 N ATOM 359 CA LEU A 27 8.056 -0.081 4.923 1.00 0.00 C ATOM 360 C LEU A 27 8.342 -0.275 3.437 1.00 0.00 C ATOM 361 O LEU A 27 7.730 0.370 2.586 1.00 0.00 O ATOM 362 CB LEU A 27 6.620 -0.503 5.237 1.00 0.00 C ATOM 363 CG LEU A 27 6.042 0.012 6.555 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.570 -0.350 6.671 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.825 -0.547 7.735 1.00 0.00 C ATOM 0 H LEU A 27 7.646 1.974 4.870 1.00 0.00 H new ATOM 0 HA LEU A 27 8.744 -0.707 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.977 -0.164 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.576 -1.592 5.245 1.00 0.00 H new ATOM 0 HG LEU A 27 6.129 1.098 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.176 0.025 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.019 0.099 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.458 -1.434 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.400 -0.170 8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.769 -1.636 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.867 -0.236 7.660 1.00 0.00 H new ATOM 377 N LYS A 28 9.276 -1.170 3.132 1.00 0.00 N ATOM 378 CA LYS A 28 9.642 -1.454 1.749 1.00 0.00 C ATOM 379 C LYS A 28 8.801 -2.596 1.187 1.00 0.00 C ATOM 380 O LYS A 28 8.993 -3.757 1.547 1.00 0.00 O ATOM 381 CB LYS A 28 11.128 -1.806 1.655 1.00 0.00 C ATOM 382 CG LYS A 28 12.050 -0.644 1.981 1.00 0.00 C ATOM 383 CD LYS A 28 13.487 -1.106 2.161 1.00 0.00 C ATOM 384 CE LYS A 28 13.776 -1.474 3.609 1.00 0.00 C ATOM 385 NZ LYS A 28 13.450 -2.899 3.894 1.00 0.00 N ATOM 0 H LYS A 28 9.794 -1.711 3.824 1.00 0.00 H new ATOM 0 HA LYS A 28 9.449 -0.559 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.341 -2.630 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.346 -2.160 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.002 0.095 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.708 -0.152 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.676 -1.967 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.167 -0.316 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.828 -1.291 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.197 -0.830 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.765 -2.949 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.040 -3.338 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.317 -3.407 4.162 1.00 0.00 H new ATOM 399 N VAL A 29 7.869 -2.258 0.301 1.00 0.00 N ATOM 400 CA VAL A 29 7.001 -3.256 -0.313 1.00 0.00 C ATOM 401 C VAL A 29 7.615 -3.802 -1.598 1.00 0.00 C ATOM 402 O VAL A 29 7.805 -3.069 -2.567 1.00 0.00 O ATOM 403 CB VAL A 29 5.611 -2.672 -0.629 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.660 -3.771 -1.077 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.056 -1.934 0.580 1.00 0.00 C ATOM 0 H VAL A 29 7.696 -1.301 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 29 6.891 -4.067 0.407 1.00 0.00 H new ATOM 0 HB VAL A 29 5.713 -1.958 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.683 -3.340 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.054 -4.250 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.560 -4.512 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.074 -1.528 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.967 -2.625 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.729 -1.120 0.850 1.00 0.00 H new ATOM 415 N ALA A 30 7.921 -5.095 -1.597 1.00 0.00 N ATOM 416 CA ALA A 30 8.511 -5.742 -2.763 1.00 0.00 C ATOM 417 C ALA A 30 7.454 -6.486 -3.571 1.00 0.00 C ATOM 418 O ALA A 30 6.428 -6.903 -3.034 1.00 0.00 O ATOM 419 CB ALA A 30 9.619 -6.693 -2.335 1.00 0.00 C ATOM 0 H ALA A 30 7.770 -5.716 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 30 8.939 -4.968 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.050 -7.169 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.393 -6.136 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.208 -7.457 -1.675 1.00 0.00 H new ATOM 425 N GLY A 31 7.711 -6.650 -4.865 1.00 0.00 N ATOM 426 CA GLY A 31 6.772 -7.344 -5.726 1.00 0.00 C ATOM 427 C GLY A 31 7.441 -8.401 -6.581 1.00 0.00 C ATOM 428 O GLY A 31 8.657 -8.581 -6.518 1.00 0.00 O ATOM 0 H GLY A 31 8.553 -6.314 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.000 -7.811 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.273 -6.621 -6.372 1.00 0.00 H new ATOM 432 N GLN A 32 6.646 -9.104 -7.382 1.00 0.00 N ATOM 433 CA GLN A 32 7.169 -10.151 -8.251 1.00 0.00 C ATOM 434 C GLN A 32 7.918 -9.550 -9.436 1.00 0.00 C ATOM 435 O GLN A 32 8.842 -10.161 -9.974 1.00 0.00 O ATOM 436 CB GLN A 32 6.033 -11.044 -8.750 1.00 0.00 C ATOM 437 CG GLN A 32 5.019 -10.313 -9.616 1.00 0.00 C ATOM 438 CD GLN A 32 5.455 -10.212 -11.065 1.00 0.00 C ATOM 439 OE1 GLN A 32 6.500 -10.738 -11.449 1.00 0.00 O ATOM 440 NE2 GLN A 32 4.654 -9.533 -11.878 1.00 0.00 N ATOM 0 H GLN A 32 5.637 -8.967 -7.447 1.00 0.00 H new ATOM 0 HA GLN A 32 7.867 -10.755 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.456 -11.871 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.520 -11.478 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.061 -10.831 -9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.861 -9.311 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.797 -9.113 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.895 -9.431 -12.864 1.00 0.00 H new ATOM 449 N ASP A 33 7.513 -8.351 -9.839 1.00 0.00 N ATOM 450 CA ASP A 33 8.146 -7.667 -10.961 1.00 0.00 C ATOM 451 C ASP A 33 9.294 -6.784 -10.481 1.00 0.00 C ATOM 452 O ASP A 33 9.399 -5.621 -10.867 1.00 0.00 O ATOM 453 CB ASP A 33 7.118 -6.823 -11.717 1.00 0.00 C ATOM 454 CG ASP A 33 7.612 -6.400 -13.086 1.00 0.00 C ATOM 455 OD1 ASP A 33 8.066 -7.277 -13.851 1.00 0.00 O ATOM 456 OD2 ASP A 33 7.543 -5.192 -13.394 1.00 0.00 O ATOM 0 H ASP A 33 6.749 -7.832 -9.406 1.00 0.00 H new ATOM 0 HA ASP A 33 8.550 -8.423 -11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.195 -7.392 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.878 -5.936 -11.130 1.00 0.00 H new ATOM 461 N GLY A 34 10.153 -7.346 -9.636 1.00 0.00 N ATOM 462 CA GLY A 34 11.281 -6.595 -9.117 1.00 0.00 C ATOM 463 C GLY A 34 10.951 -5.132 -8.896 1.00 0.00 C ATOM 464 O GLY A 34 11.625 -4.250 -9.427 1.00 0.00 O ATOM 0 H GLY A 34 10.088 -8.307 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.606 -7.037 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.117 -6.675 -9.812 1.00 0.00 H new ATOM 468 N SER A 35 9.911 -4.874 -8.110 1.00 0.00 N ATOM 469 CA SER A 35 9.489 -3.507 -7.824 1.00 0.00 C ATOM 470 C SER A 35 9.603 -3.204 -6.333 1.00 0.00 C ATOM 471 O SER A 35 9.263 -4.036 -5.492 1.00 0.00 O ATOM 472 CB SER A 35 8.050 -3.286 -8.293 1.00 0.00 C ATOM 473 OG SER A 35 8.012 -2.878 -9.650 1.00 0.00 O ATOM 0 H SER A 35 9.345 -5.593 -7.660 1.00 0.00 H new ATOM 0 HA SER A 35 10.148 -2.829 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.479 -4.206 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.573 -2.530 -7.669 1.00 0.00 H new ATOM 0 HG SER A 35 8.411 -3.574 -10.212 1.00 0.00 H new ATOM 479 N VAL A 36 10.083 -2.007 -6.014 1.00 0.00 N ATOM 480 CA VAL A 36 10.241 -1.592 -4.626 1.00 0.00 C ATOM 481 C VAL A 36 9.538 -0.264 -4.365 1.00 0.00 C ATOM 482 O VAL A 36 9.754 0.716 -5.078 1.00 0.00 O ATOM 483 CB VAL A 36 11.727 -1.456 -4.246 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.872 -1.083 -2.778 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.476 -2.744 -4.554 1.00 0.00 C ATOM 0 H VAL A 36 10.369 -1.307 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 36 9.786 -2.368 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 36 12.165 -0.656 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.929 -0.992 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.372 -0.132 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.419 -1.858 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.525 -2.630 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.039 -3.564 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.402 -2.962 -5.619 1.00 0.00 H new ATOM 495 N VAL A 37 8.694 -0.239 -3.338 1.00 0.00 N ATOM 496 CA VAL A 37 7.960 0.969 -2.982 1.00 0.00 C ATOM 497 C VAL A 37 7.958 1.186 -1.473 1.00 0.00 C ATOM 498 O VAL A 37 7.570 0.302 -0.710 1.00 0.00 O ATOM 499 CB VAL A 37 6.504 0.909 -3.482 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.848 2.277 -3.381 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.454 0.389 -4.911 1.00 0.00 C ATOM 0 H VAL A 37 8.502 -1.041 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 37 8.469 1.803 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 37 5.948 0.219 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.820 2.215 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.851 2.606 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.401 2.992 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.418 0.353 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.025 1.053 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.883 -0.612 -4.949 1.00 0.00 H new ATOM 511 N GLN A 38 8.394 2.369 -1.050 1.00 0.00 N ATOM 512 CA GLN A 38 8.443 2.702 0.369 1.00 0.00 C ATOM 513 C GLN A 38 7.206 3.490 0.786 1.00 0.00 C ATOM 514 O GLN A 38 6.540 4.107 -0.046 1.00 0.00 O ATOM 515 CB GLN A 38 9.705 3.508 0.682 1.00 0.00 C ATOM 516 CG GLN A 38 10.957 2.654 0.804 1.00 0.00 C ATOM 517 CD GLN A 38 12.231 3.470 0.706 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.463 4.164 -0.284 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.065 3.391 1.737 1.00 0.00 N ATOM 0 H GLN A 38 8.718 3.112 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 38 8.466 1.770 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.856 4.250 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.556 4.054 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.941 2.126 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.954 1.897 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.832 2.803 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.938 3.918 1.728 1.00 0.00 H new ATOM 528 N PHE A 39 6.902 3.464 2.079 1.00 0.00 N ATOM 529 CA PHE A 39 5.743 4.175 2.607 1.00 0.00 C ATOM 530 C PHE A 39 5.992 4.631 4.042 1.00 0.00 C ATOM 531 O PHE A 39 6.273 3.819 4.924 1.00 0.00 O ATOM 532 CB PHE A 39 4.502 3.283 2.551 1.00 0.00 C ATOM 533 CG PHE A 39 4.082 2.926 1.154 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.657 1.850 0.497 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.112 3.667 0.497 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.273 1.520 -0.789 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.724 3.342 -0.789 1.00 0.00 C ATOM 538 CZ PHE A 39 3.304 2.266 -1.432 1.00 0.00 C ATOM 0 H PHE A 39 7.442 2.958 2.781 1.00 0.00 H new ATOM 0 HA PHE A 39 5.576 5.057 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.698 2.367 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.677 3.790 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.414 1.263 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.654 4.508 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.730 0.680 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.968 3.929 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.001 2.008 -2.436 1.00 0.00 H new ATOM 548 N LYS A 40 5.887 5.936 4.268 1.00 0.00 N ATOM 549 CA LYS A 40 6.099 6.503 5.594 1.00 0.00 C ATOM 550 C LYS A 40 4.769 6.816 6.271 1.00 0.00 C ATOM 551 O LYS A 40 4.011 7.668 5.806 1.00 0.00 O ATOM 552 CB LYS A 40 6.947 7.773 5.499 1.00 0.00 C ATOM 553 CG LYS A 40 7.484 8.247 6.839 1.00 0.00 C ATOM 554 CD LYS A 40 8.224 9.568 6.707 1.00 0.00 C ATOM 555 CE LYS A 40 7.276 10.752 6.829 1.00 0.00 C ATOM 556 NZ LYS A 40 6.605 11.060 5.536 1.00 0.00 N ATOM 0 H LYS A 40 5.656 6.621 3.549 1.00 0.00 H new ATOM 0 HA LYS A 40 6.628 5.765 6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.784 7.591 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.347 8.568 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.660 8.359 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.155 7.493 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.992 9.635 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.734 9.606 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.523 10.538 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.830 11.627 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.459 12.087 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.201 10.733 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.686 10.575 5.498 1.00 0.00 H new ATOM 570 N ILE A 41 4.493 6.125 7.372 1.00 0.00 N ATOM 571 CA ILE A 41 3.255 6.332 8.113 1.00 0.00 C ATOM 572 C ILE A 41 3.500 6.282 9.618 1.00 0.00 C ATOM 573 O ILE A 41 4.628 6.076 10.068 1.00 0.00 O ATOM 574 CB ILE A 41 2.193 5.280 7.742 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.528 3.935 8.391 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.096 5.136 6.231 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.418 2.914 8.271 1.00 0.00 C ATOM 0 H ILE A 41 5.110 5.417 7.770 1.00 0.00 H new ATOM 0 HA ILE A 41 2.886 7.320 7.840 1.00 0.00 H new ATOM 0 HB ILE A 41 1.226 5.613 8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.431 3.534 7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.751 4.095 9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.341 4.389 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.816 6.093 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.061 4.822 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.724 1.985 8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.519 3.295 8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.210 2.725 7.218 1.00 0.00 H new ATOM 589 N LYS A 42 2.437 6.470 10.391 1.00 0.00 N ATOM 590 CA LYS A 42 2.534 6.443 11.846 1.00 0.00 C ATOM 591 C LYS A 42 2.322 5.030 12.379 1.00 0.00 C ATOM 592 O LYS A 42 1.722 4.188 11.711 1.00 0.00 O ATOM 593 CB LYS A 42 1.506 7.393 12.464 1.00 0.00 C ATOM 594 CG LYS A 42 1.473 8.763 11.810 1.00 0.00 C ATOM 595 CD LYS A 42 0.390 9.643 12.412 1.00 0.00 C ATOM 596 CE LYS A 42 0.333 11.002 11.731 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.161 12.063 12.651 1.00 0.00 N ATOM 0 H LYS A 42 1.497 6.643 10.035 1.00 0.00 H new ATOM 0 HA LYS A 42 3.535 6.771 12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.517 6.941 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.725 7.512 13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.443 9.247 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.300 8.652 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.576 9.147 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.579 9.776 13.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.326 11.269 11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.319 10.944 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.185 12.974 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.119 11.822 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.475 12.136 13.470 1.00 0.00 H new ATOM 611 N ARG A 43 2.816 4.777 13.587 1.00 0.00 N ATOM 612 CA ARG A 43 2.679 3.466 14.210 1.00 0.00 C ATOM 613 C ARG A 43 1.233 3.207 14.621 1.00 0.00 C ATOM 614 O ARG A 43 0.822 2.059 14.795 1.00 0.00 O ATOM 615 CB ARG A 43 3.595 3.360 15.431 1.00 0.00 C ATOM 616 CG ARG A 43 3.257 4.351 16.533 1.00 0.00 C ATOM 617 CD ARG A 43 4.167 5.569 16.486 1.00 0.00 C ATOM 618 NE ARG A 43 5.339 5.409 17.342 1.00 0.00 N ATOM 619 CZ ARG A 43 5.310 5.552 18.662 1.00 0.00 C ATOM 620 NH1 ARG A 43 4.174 5.855 19.274 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.419 5.391 19.373 1.00 0.00 N ATOM 0 H ARG A 43 3.315 5.463 14.154 1.00 0.00 H new ATOM 0 HA ARG A 43 2.971 2.712 13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.536 2.348 15.833 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.626 3.518 15.116 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.219 4.667 16.433 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.350 3.863 17.503 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.489 5.742 15.459 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.608 6.451 16.798 1.00 0.00 H new ATOM 0 HE ARG A 43 6.229 5.175 16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.319 5.979 18.731 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.154 5.964 20.288 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.295 5.157 18.906 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.395 5.501 20.387 1.00 0.00 H new ATOM 635 N HIS A 44 0.465 4.282 14.775 1.00 0.00 N ATOM 636 CA HIS A 44 -0.936 4.171 15.165 1.00 0.00 C ATOM 637 C HIS A 44 -1.854 4.519 13.998 1.00 0.00 C ATOM 638 O HIS A 44 -2.908 5.128 14.183 1.00 0.00 O ATOM 639 CB HIS A 44 -1.230 5.088 16.352 1.00 0.00 C ATOM 640 CG HIS A 44 -0.579 6.433 16.246 1.00 0.00 C ATOM 641 ND1 HIS A 44 0.562 6.773 16.941 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.914 7.524 15.518 1.00 0.00 C ATOM 643 CE1 HIS A 44 0.900 8.016 16.647 1.00 0.00 C ATOM 644 NE2 HIS A 44 0.020 8.494 15.785 1.00 0.00 N ATOM 0 H HIS A 44 0.790 5.239 14.636 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.126 3.138 15.457 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.308 5.221 16.439 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.894 4.602 17.268 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.066 6.161 17.582 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.759 7.614 14.851 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.751 8.550 17.044 1.00 0.00 H new ATOM 653 N THR A 45 -1.447 4.128 12.794 1.00 0.00 N ATOM 654 CA THR A 45 -2.232 4.400 11.596 1.00 0.00 C ATOM 655 C THR A 45 -2.523 3.117 10.827 1.00 0.00 C ATOM 656 O THR A 45 -1.648 2.276 10.621 1.00 0.00 O ATOM 657 CB THR A 45 -1.510 5.392 10.664 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.425 6.678 11.288 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.238 5.514 9.335 1.00 0.00 C ATOM 0 H THR A 45 -0.578 3.622 12.623 1.00 0.00 H new ATOM 0 HA THR A 45 -3.171 4.843 11.927 1.00 0.00 H new ATOM 0 HB THR A 45 -0.505 5.014 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.963 7.302 10.690 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.710 6.220 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.274 4.539 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.253 5.871 9.508 1.00 0.00 H new ATOM 667 N PRO A 46 -3.782 2.961 10.390 1.00 0.00 N ATOM 668 CA PRO A 46 -4.217 1.783 9.634 1.00 0.00 C ATOM 669 C PRO A 46 -3.621 1.741 8.232 1.00 0.00 C ATOM 670 O PRO A 46 -3.743 2.697 7.465 1.00 0.00 O ATOM 671 CB PRO A 46 -5.737 1.948 9.564 1.00 0.00 C ATOM 672 CG PRO A 46 -5.966 3.414 9.696 1.00 0.00 C ATOM 673 CD PRO A 46 -4.877 3.924 10.599 1.00 0.00 C ATOM 0 HA PRO A 46 -3.896 0.855 10.107 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.133 1.569 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.232 1.397 10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.928 3.904 8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.950 3.619 10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.577 4.938 10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.197 3.949 11.641 1.00 0.00 H new ATOM 681 N LEU A 47 -2.977 0.627 7.901 1.00 0.00 N ATOM 682 CA LEU A 47 -2.361 0.460 6.589 1.00 0.00 C ATOM 683 C LEU A 47 -3.343 0.817 5.478 1.00 0.00 C ATOM 684 O LEU A 47 -2.942 1.107 4.351 1.00 0.00 O ATOM 685 CB LEU A 47 -1.874 -0.979 6.412 1.00 0.00 C ATOM 686 CG LEU A 47 -0.996 -1.534 7.534 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.767 -3.025 7.346 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.331 -0.791 7.588 1.00 0.00 C ATOM 0 H LEU A 47 -2.868 -0.174 8.523 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.508 1.136 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.745 -1.626 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.316 -1.040 5.478 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.513 -1.385 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.140 -3.402 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.725 -3.545 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.271 -3.199 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.944 -1.199 8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.853 -0.909 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.148 0.268 7.772 1.00 0.00 H new ATOM 700 N SER A 48 -4.632 0.796 5.804 1.00 0.00 N ATOM 701 CA SER A 48 -5.671 1.116 4.833 1.00 0.00 C ATOM 702 C SER A 48 -5.196 2.194 3.863 1.00 0.00 C ATOM 703 O SER A 48 -5.378 2.079 2.651 1.00 0.00 O ATOM 704 CB SER A 48 -6.941 1.581 5.548 1.00 0.00 C ATOM 705 OG SER A 48 -8.018 1.719 4.638 1.00 0.00 O ATOM 0 H SER A 48 -4.981 0.561 6.733 1.00 0.00 H new ATOM 0 HA SER A 48 -5.892 0.213 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.207 0.865 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.755 2.534 6.043 1.00 0.00 H new ATOM 0 HG SER A 48 -8.818 2.016 5.120 1.00 0.00 H new ATOM 711 N LYS A 49 -4.587 3.242 4.407 1.00 0.00 N ATOM 712 CA LYS A 49 -4.083 4.342 3.593 1.00 0.00 C ATOM 713 C LYS A 49 -2.832 3.923 2.827 1.00 0.00 C ATOM 714 O LYS A 49 -2.686 4.227 1.642 1.00 0.00 O ATOM 715 CB LYS A 49 -3.774 5.555 4.473 1.00 0.00 C ATOM 716 CG LYS A 49 -5.007 6.346 4.873 1.00 0.00 C ATOM 717 CD LYS A 49 -5.656 5.774 6.122 1.00 0.00 C ATOM 718 CE LYS A 49 -6.752 6.687 6.649 1.00 0.00 C ATOM 719 NZ LYS A 49 -6.213 7.724 7.573 1.00 0.00 N ATOM 0 H LYS A 49 -4.430 3.353 5.409 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.855 4.612 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.261 5.219 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.087 6.213 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.732 7.386 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.726 6.340 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.075 4.793 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.899 5.630 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.254 7.172 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.502 6.091 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.991 8.326 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.756 7.262 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.516 8.309 7.070 1.00 0.00 H new ATOM 733 N LEU A 50 -1.933 3.224 3.510 1.00 0.00 N ATOM 734 CA LEU A 50 -0.694 2.762 2.893 1.00 0.00 C ATOM 735 C LEU A 50 -0.983 1.922 1.653 1.00 0.00 C ATOM 736 O LEU A 50 -0.464 2.194 0.571 1.00 0.00 O ATOM 737 CB LEU A 50 0.125 1.947 3.896 1.00 0.00 C ATOM 738 CG LEU A 50 1.016 0.854 3.304 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.922 1.429 2.226 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.840 0.188 4.396 1.00 0.00 C ATOM 0 H LEU A 50 -2.038 2.964 4.491 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.119 3.637 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.754 2.633 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.562 1.484 4.604 1.00 0.00 H new ATOM 0 HG LEU A 50 0.376 0.099 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.549 0.637 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.313 1.858 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.554 2.205 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.468 -0.587 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.470 0.933 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.173 -0.260 5.133 1.00 0.00 H new ATOM 752 N MET A 51 -1.817 0.900 1.819 1.00 0.00 N ATOM 753 CA MET A 51 -2.178 0.022 0.712 1.00 0.00 C ATOM 754 C MET A 51 -2.848 0.808 -0.410 1.00 0.00 C ATOM 755 O MET A 51 -2.370 0.823 -1.544 1.00 0.00 O ATOM 756 CB MET A 51 -3.109 -1.090 1.198 1.00 0.00 C ATOM 757 CG MET A 51 -2.585 -1.833 2.417 1.00 0.00 C ATOM 758 SD MET A 51 -3.907 -2.487 3.453 1.00 0.00 S ATOM 759 CE MET A 51 -3.103 -3.921 4.163 1.00 0.00 C ATOM 0 H MET A 51 -2.255 0.660 2.708 1.00 0.00 H new ATOM 0 HA MET A 51 -1.263 -0.424 0.322 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.082 -0.660 1.435 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.265 -1.802 0.388 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.945 -2.653 2.091 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.964 -1.160 3.009 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.552 -4.149 5.130 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.225 -4.774 3.496 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.041 -3.714 4.296 1.00 0.00 H new ATOM 769 N LYS A 52 -3.959 1.462 -0.086 1.00 0.00 N ATOM 770 CA LYS A 52 -4.696 2.252 -1.065 1.00 0.00 C ATOM 771 C LYS A 52 -3.741 3.010 -1.982 1.00 0.00 C ATOM 772 O LYS A 52 -3.886 2.981 -3.204 1.00 0.00 O ATOM 773 CB LYS A 52 -5.629 3.237 -0.358 1.00 0.00 C ATOM 774 CG LYS A 52 -7.001 2.661 -0.051 1.00 0.00 C ATOM 775 CD LYS A 52 -8.063 3.746 -0.003 1.00 0.00 C ATOM 776 CE LYS A 52 -9.448 3.184 -0.284 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.374 4.225 -0.810 1.00 0.00 N ATOM 0 H LYS A 52 -4.369 1.460 0.848 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.291 1.569 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.164 3.561 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.747 4.124 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.266 1.925 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.971 2.137 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.054 4.222 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.828 4.519 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.370 2.370 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.861 2.761 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.307 3.802 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.469 4.990 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.994 4.611 -1.697 1.00 0.00 H new ATOM 791 N ALA A 53 -2.764 3.684 -1.385 1.00 0.00 N ATOM 792 CA ALA A 53 -1.784 4.446 -2.149 1.00 0.00 C ATOM 793 C ALA A 53 -0.963 3.533 -3.054 1.00 0.00 C ATOM 794 O ALA A 53 -0.614 3.905 -4.174 1.00 0.00 O ATOM 795 CB ALA A 53 -0.870 5.221 -1.210 1.00 0.00 C ATOM 0 H ALA A 53 -2.630 3.718 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.322 5.153 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.143 5.786 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.465 5.908 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.347 4.525 -0.555 1.00 0.00 H new ATOM 801 N TYR A 54 -0.659 2.338 -2.561 1.00 0.00 N ATOM 802 CA TYR A 54 0.124 1.373 -3.325 1.00 0.00 C ATOM 803 C TYR A 54 -0.590 0.996 -4.619 1.00 0.00 C ATOM 804 O TYR A 54 0.049 0.712 -5.633 1.00 0.00 O ATOM 805 CB TYR A 54 0.383 0.119 -2.488 1.00 0.00 C ATOM 806 CG TYR A 54 1.306 -0.874 -3.157 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.684 -0.783 -3.005 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.800 -1.905 -3.939 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.531 -1.689 -3.615 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.639 -2.816 -4.551 1.00 0.00 C ATOM 811 CZ TYR A 54 3.004 -2.703 -4.387 1.00 0.00 C ATOM 812 OH TYR A 54 3.844 -3.607 -4.995 1.00 0.00 O ATOM 0 H TYR A 54 -0.942 2.014 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 54 1.078 1.836 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.812 0.414 -1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.568 -0.368 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.100 0.009 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.268 -1.996 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.600 -1.603 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.229 -3.612 -5.154 1.00 0.00 H new ATOM 0 HH TYR A 54 3.540 -4.518 -4.801 1.00 0.00 H new ATOM 822 N CYS A 55 -1.918 0.996 -4.576 1.00 0.00 N ATOM 823 CA CYS A 55 -2.720 0.653 -5.745 1.00 0.00 C ATOM 824 C CYS A 55 -2.684 1.776 -6.777 1.00 0.00 C ATOM 825 O CYS A 55 -2.356 1.551 -7.941 1.00 0.00 O ATOM 826 CB CYS A 55 -4.165 0.370 -5.332 1.00 0.00 C ATOM 827 SG CYS A 55 -4.361 -1.092 -4.286 1.00 0.00 S ATOM 0 H CYS A 55 -2.462 1.229 -3.745 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.296 -0.244 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.557 1.238 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.770 0.245 -6.230 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.017 -0.771 -3.210 1.00 0.00 H new ATOM 833 N GLU A 56 -3.026 2.985 -6.341 1.00 0.00 N ATOM 834 CA GLU A 56 -3.035 4.142 -7.229 1.00 0.00 C ATOM 835 C GLU A 56 -1.665 4.349 -7.866 1.00 0.00 C ATOM 836 O GLU A 56 -1.559 4.618 -9.063 1.00 0.00 O ATOM 837 CB GLU A 56 -3.448 5.399 -6.460 1.00 0.00 C ATOM 838 CG GLU A 56 -2.277 6.148 -5.845 1.00 0.00 C ATOM 839 CD GLU A 56 -2.705 7.420 -5.140 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.097 7.340 -3.957 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.646 8.496 -5.771 1.00 0.00 O ATOM 0 H GLU A 56 -3.300 3.188 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.760 3.955 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.983 6.068 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.145 5.119 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.767 5.497 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.557 6.394 -6.626 1.00 0.00 H new ATOM 848 N ARG A 57 -0.617 4.223 -7.058 1.00 0.00 N ATOM 849 CA ARG A 57 0.747 4.398 -7.542 1.00 0.00 C ATOM 850 C ARG A 57 0.977 3.597 -8.820 1.00 0.00 C ATOM 851 O ARG A 57 1.573 4.094 -9.776 1.00 0.00 O ATOM 852 CB ARG A 57 1.750 3.967 -6.470 1.00 0.00 C ATOM 853 CG ARG A 57 3.200 4.188 -6.869 1.00 0.00 C ATOM 854 CD ARG A 57 4.099 4.320 -5.650 1.00 0.00 C ATOM 855 NE ARG A 57 5.411 4.863 -5.994 1.00 0.00 N ATOM 856 CZ ARG A 57 6.285 5.298 -5.094 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.989 5.254 -3.802 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.459 5.778 -5.485 1.00 0.00 N ATOM 0 H ARG A 57 -0.687 4.000 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 57 0.894 5.455 -7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.547 4.518 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.600 2.910 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.540 3.355 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.278 5.088 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.620 4.967 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.222 3.343 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 57 5.670 4.911 -6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.088 4.885 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.662 5.589 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.691 5.813 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.130 6.112 -4.793 1.00 0.00 H new ATOM 872 N GLN A 58 0.501 2.356 -8.829 1.00 0.00 N ATOM 873 CA GLN A 58 0.657 1.487 -9.990 1.00 0.00 C ATOM 874 C GLN A 58 -0.657 1.358 -10.753 1.00 0.00 C ATOM 875 O GLN A 58 -0.742 0.634 -11.744 1.00 0.00 O ATOM 876 CB GLN A 58 1.147 0.105 -9.556 1.00 0.00 C ATOM 877 CG GLN A 58 2.435 0.141 -8.750 1.00 0.00 C ATOM 878 CD GLN A 58 3.648 0.457 -9.603 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.595 0.380 -10.831 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.751 0.815 -8.955 1.00 0.00 N ATOM 0 H GLN A 58 0.005 1.930 -8.046 1.00 0.00 H new ATOM 0 HA GLN A 58 1.398 1.936 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.370 -0.377 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.300 -0.512 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.345 0.888 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.580 -0.822 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.750 0.866 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.599 1.039 -9.476 1.00 0.00 H new ATOM 889 N GLY A 59 -1.681 2.065 -10.283 1.00 0.00 N ATOM 890 CA GLY A 59 -2.977 2.014 -10.933 1.00 0.00 C ATOM 891 C GLY A 59 -3.557 0.614 -10.963 1.00 0.00 C ATOM 892 O GLY A 59 -4.188 0.216 -11.943 1.00 0.00 O ATOM 0 H GLY A 59 -1.636 2.672 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.667 2.678 -10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.883 2.387 -11.953 1.00 0.00 H new ATOM 896 N LEU A 60 -3.343 -0.136 -9.887 1.00 0.00 N ATOM 897 CA LEU A 60 -3.848 -1.501 -9.794 1.00 0.00 C ATOM 898 C LEU A 60 -5.111 -1.557 -8.940 1.00 0.00 C ATOM 899 O LEU A 60 -5.613 -0.528 -8.488 1.00 0.00 O ATOM 900 CB LEU A 60 -2.779 -2.422 -9.203 1.00 0.00 C ATOM 901 CG LEU A 60 -1.411 -2.387 -9.887 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.402 -3.214 -9.105 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.518 -2.888 -11.320 1.00 0.00 C ATOM 0 H LEU A 60 -2.823 0.178 -9.067 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.096 -1.840 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.645 -2.163 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.152 -3.446 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.064 -1.354 -9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.565 -3.177 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.304 -2.810 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.743 -4.248 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.536 -2.856 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.887 -3.914 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.208 -2.254 -11.877 1.00 0.00 H new ATOM 915 N SER A 61 -5.619 -2.766 -8.722 1.00 0.00 N ATOM 916 CA SER A 61 -6.824 -2.957 -7.924 1.00 0.00 C ATOM 917 C SER A 61 -6.489 -3.591 -6.578 1.00 0.00 C ATOM 918 O SER A 61 -5.756 -4.577 -6.509 1.00 0.00 O ATOM 919 CB SER A 61 -7.827 -3.833 -8.678 1.00 0.00 C ATOM 920 OG SER A 61 -8.108 -3.298 -9.960 1.00 0.00 O ATOM 0 H SER A 61 -5.214 -3.628 -9.087 1.00 0.00 H new ATOM 0 HA SER A 61 -7.270 -1.979 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.428 -4.842 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.750 -3.912 -8.103 1.00 0.00 H new ATOM 0 HG SER A 61 -8.750 -3.877 -10.422 1.00 0.00 H new ATOM 926 N MET A 62 -7.032 -3.017 -5.509 1.00 0.00 N ATOM 927 CA MET A 62 -6.793 -3.526 -4.164 1.00 0.00 C ATOM 928 C MET A 62 -7.032 -5.031 -4.101 1.00 0.00 C ATOM 929 O MET A 62 -6.320 -5.754 -3.404 1.00 0.00 O ATOM 930 CB MET A 62 -7.696 -2.812 -3.157 1.00 0.00 C ATOM 931 CG MET A 62 -7.236 -2.960 -1.716 1.00 0.00 C ATOM 932 SD MET A 62 -5.618 -2.218 -1.424 1.00 0.00 S ATOM 933 CE MET A 62 -5.946 -1.263 0.056 1.00 0.00 C ATOM 0 H MET A 62 -7.640 -2.199 -5.549 1.00 0.00 H new ATOM 0 HA MET A 62 -5.751 -3.331 -3.909 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.740 -1.752 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.709 -3.204 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.969 -2.496 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.198 -4.018 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.408 -0.316 0.005 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.016 -1.069 0.134 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.614 -1.822 0.931 1.00 0.00 H new ATOM 943 N ARG A 63 -8.039 -5.496 -4.834 1.00 0.00 N ATOM 944 CA ARG A 63 -8.373 -6.915 -4.860 1.00 0.00 C ATOM 945 C ARG A 63 -7.373 -7.694 -5.710 1.00 0.00 C ATOM 946 O ARG A 63 -6.904 -8.760 -5.312 1.00 0.00 O ATOM 947 CB ARG A 63 -9.788 -7.118 -5.405 1.00 0.00 C ATOM 948 CG ARG A 63 -10.132 -8.573 -5.681 1.00 0.00 C ATOM 949 CD ARG A 63 -10.671 -9.263 -4.438 1.00 0.00 C ATOM 950 NE ARG A 63 -10.579 -10.718 -4.536 1.00 0.00 N ATOM 951 CZ ARG A 63 -9.429 -11.381 -4.566 1.00 0.00 C ATOM 952 NH1 ARG A 63 -8.279 -10.724 -4.504 1.00 0.00 N ATOM 953 NH2 ARG A 63 -9.427 -12.705 -4.656 1.00 0.00 N ATOM 0 H ARG A 63 -8.637 -4.911 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.327 -7.292 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.505 -6.713 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.899 -6.546 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.872 -8.628 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.244 -9.098 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.115 -8.923 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.711 -8.975 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.446 -11.254 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.276 -9.706 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.397 -11.236 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.310 -13.214 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.543 -13.213 -4.679 1.00 0.00 H new ATOM 967 N GLN A 64 -7.052 -7.153 -6.881 1.00 0.00 N ATOM 968 CA GLN A 64 -6.108 -7.798 -7.786 1.00 0.00 C ATOM 969 C GLN A 64 -4.789 -8.090 -7.080 1.00 0.00 C ATOM 970 O GLN A 64 -4.098 -9.055 -7.409 1.00 0.00 O ATOM 971 CB GLN A 64 -5.861 -6.915 -9.011 1.00 0.00 C ATOM 972 CG GLN A 64 -4.922 -7.540 -10.031 1.00 0.00 C ATOM 973 CD GLN A 64 -4.569 -6.590 -11.158 1.00 0.00 C ATOM 974 OE1 GLN A 64 -3.453 -6.075 -11.225 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.522 -6.352 -12.053 1.00 0.00 N ATOM 0 H GLN A 64 -7.431 -6.271 -7.225 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.542 -8.744 -8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.815 -6.700 -9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.446 -5.961 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.008 -7.859 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.386 -8.434 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.433 -6.800 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.342 -5.721 -12.834 1.00 0.00 H new ATOM 984 N ILE A 65 -4.444 -7.250 -6.109 1.00 0.00 N ATOM 985 CA ILE A 65 -3.207 -7.420 -5.357 1.00 0.00 C ATOM 986 C ILE A 65 -3.494 -7.726 -3.891 1.00 0.00 C ATOM 987 O ILE A 65 -4.629 -7.601 -3.430 1.00 0.00 O ATOM 988 CB ILE A 65 -2.319 -6.165 -5.443 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.988 -4.989 -4.728 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.036 -5.816 -6.897 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.006 -3.988 -4.162 1.00 0.00 C ATOM 0 H ILE A 65 -5.003 -6.446 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.678 -8.261 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.371 -6.374 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.652 -4.480 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.610 -5.372 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.407 -4.927 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.522 -6.648 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.976 -5.622 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.551 -3.182 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.358 -4.483 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.400 -3.576 -4.969 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.457 -8.126 -3.162 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.597 -8.450 -1.747 1.00 0.00 C ATOM 1005 C ARG A 66 -1.359 -8.018 -0.966 1.00 0.00 C ATOM 1006 O ARG A 66 -0.301 -7.771 -1.545 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.829 -9.951 -1.566 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.296 -10.349 -1.603 1.00 0.00 C ATOM 1009 CD ARG A 66 -4.987 -10.052 -0.282 1.00 0.00 C ATOM 1010 NE ARG A 66 -4.850 -11.153 0.667 1.00 0.00 N ATOM 1011 CZ ARG A 66 -5.353 -12.366 0.464 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -6.023 -12.631 -0.650 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -5.187 -13.316 1.375 1.00 0.00 N ATOM 0 H ARG A 66 -1.511 -8.233 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.459 -7.907 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.295 -10.490 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.400 -10.264 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.800 -9.812 -2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.380 -11.412 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.566 -9.145 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.044 -9.858 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.340 -10.982 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.153 -11.903 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.408 -13.563 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.673 -13.116 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.574 -14.247 1.218 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.499 -7.929 0.352 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.394 -7.526 1.213 1.00 0.00 C ATOM 1029 C PHE A 67 -0.072 -8.615 2.232 1.00 0.00 C ATOM 1030 O PHE A 67 -0.926 -9.436 2.570 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.732 -6.220 1.936 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.922 -5.054 1.008 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.103 -4.901 0.299 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.079 -4.110 0.846 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.281 -3.830 -0.555 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.093 -3.036 -0.007 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.275 -2.895 -0.707 1.00 0.00 C ATOM 0 H PHE A 67 -2.367 -8.131 0.847 1.00 0.00 H new ATOM 0 HA PHE A 67 0.483 -7.370 0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.642 -6.362 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.066 -5.987 2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.893 -5.628 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.005 -4.214 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.205 -3.724 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.696 -2.308 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.413 -2.055 -1.372 1.00 0.00 H new ATOM 1047 N ARG A 68 1.165 -8.616 2.718 1.00 0.00 N ATOM 1048 CA ARG A 68 1.601 -9.605 3.696 1.00 0.00 C ATOM 1049 C ARG A 68 2.741 -9.059 4.551 1.00 0.00 C ATOM 1050 O ARG A 68 3.529 -8.230 4.096 1.00 0.00 O ATOM 1051 CB ARG A 68 2.046 -10.889 2.993 1.00 0.00 C ATOM 1052 CG ARG A 68 0.892 -11.778 2.560 1.00 0.00 C ATOM 1053 CD ARG A 68 1.297 -13.244 2.535 1.00 0.00 C ATOM 1054 NE ARG A 68 0.332 -14.066 1.811 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.471 -15.375 1.631 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.529 -16.006 2.120 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.451 -16.055 0.961 1.00 0.00 N ATOM 0 H ARG A 68 1.883 -7.943 2.450 1.00 0.00 H new ATOM 0 HA ARG A 68 0.757 -9.830 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.640 -10.627 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.696 -11.453 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.052 -11.643 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.551 -11.477 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.278 -13.341 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.392 -13.611 3.557 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.494 -13.611 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.239 -15.487 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.633 -17.011 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.267 -15.573 0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.344 -17.060 0.823 1.00 0.00 H new ATOM 1071 N PHE A 69 2.821 -9.529 5.791 1.00 0.00 N ATOM 1072 CA PHE A 69 3.863 -9.087 6.710 1.00 0.00 C ATOM 1073 C PHE A 69 4.433 -10.265 7.494 1.00 0.00 C ATOM 1074 O PHE A 69 3.758 -10.842 8.347 1.00 0.00 O ATOM 1075 CB PHE A 69 3.309 -8.037 7.676 1.00 0.00 C ATOM 1076 CG PHE A 69 4.336 -7.503 8.634 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.163 -6.453 8.270 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.473 -8.052 9.899 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.108 -5.960 9.150 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.416 -7.563 10.783 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.235 -6.516 10.407 1.00 0.00 C ATOM 0 H PHE A 69 2.177 -10.216 6.183 1.00 0.00 H new ATOM 0 HA PHE A 69 4.666 -8.642 6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.895 -7.209 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.487 -8.474 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.068 -6.015 7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.836 -8.871 10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.746 -5.141 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.513 -7.999 11.766 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.974 -6.133 11.096 1.00 0.00 H new ATOM 1091 N ASP A 70 5.679 -10.617 7.199 1.00 0.00 N ATOM 1092 CA ASP A 70 6.341 -11.726 7.876 1.00 0.00 C ATOM 1093 C ASP A 70 5.712 -13.058 7.479 1.00 0.00 C ATOM 1094 O ASP A 70 5.730 -14.018 8.248 1.00 0.00 O ATOM 1095 CB ASP A 70 6.266 -11.544 9.392 1.00 0.00 C ATOM 1096 CG ASP A 70 7.350 -12.313 10.122 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.522 -13.515 9.832 1.00 0.00 O ATOM 1098 OD2 ASP A 70 8.026 -11.713 10.984 1.00 0.00 O ATOM 0 H ASP A 70 6.251 -10.150 6.495 1.00 0.00 H new ATOM 0 HA ASP A 70 7.387 -11.733 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.352 -10.484 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.289 -11.873 9.747 1.00 0.00 H new ATOM 1103 N GLY A 71 5.155 -13.108 6.273 1.00 0.00 N ATOM 1104 CA GLY A 71 4.527 -14.326 5.795 1.00 0.00 C ATOM 1105 C GLY A 71 3.119 -14.500 6.328 1.00 0.00 C ATOM 1106 O GLY A 71 2.646 -15.624 6.494 1.00 0.00 O ATOM 0 H GLY A 71 5.127 -12.326 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.501 -14.314 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.132 -15.183 6.090 1.00 0.00 H new ATOM 1110 N GLN A 72 2.449 -13.384 6.599 1.00 0.00 N ATOM 1111 CA GLN A 72 1.087 -13.419 7.119 1.00 0.00 C ATOM 1112 C GLN A 72 0.229 -12.337 6.472 1.00 0.00 C ATOM 1113 O GLN A 72 0.691 -11.231 6.190 1.00 0.00 O ATOM 1114 CB GLN A 72 1.094 -13.240 8.639 1.00 0.00 C ATOM 1115 CG GLN A 72 1.921 -14.285 9.370 1.00 0.00 C ATOM 1116 CD GLN A 72 2.149 -13.933 10.827 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.312 -12.764 11.177 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.163 -14.946 11.686 1.00 0.00 N ATOM 0 H GLN A 72 2.827 -12.446 6.467 1.00 0.00 H new ATOM 0 HA GLN A 72 0.657 -14.391 6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.481 -12.250 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.068 -13.278 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.418 -15.250 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.884 -14.395 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.024 -15.900 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.313 -14.770 12.679 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.050 -12.660 6.230 1.00 0.00 N ATOM 1128 CA PRO A 73 -1.999 -11.729 5.614 1.00 0.00 C ATOM 1129 C PRO A 73 -2.364 -10.575 6.541 1.00 0.00 C ATOM 1130 O PRO A 73 -2.855 -10.788 7.650 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.226 -12.602 5.339 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.136 -13.706 6.336 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.668 -13.960 6.541 1.00 0.00 C ATOM 0 HA PRO A 73 -1.586 -11.258 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.150 -12.036 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.217 -12.987 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.618 -13.426 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.640 -14.602 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.453 -14.273 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.301 -14.747 5.883 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.122 -9.352 6.080 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.427 -8.165 6.868 1.00 0.00 C ATOM 1143 C ILE A 74 -3.721 -7.510 6.397 1.00 0.00 C ATOM 1144 O ILE A 74 -4.024 -7.496 5.205 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.287 -7.132 6.795 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.611 -7.182 5.423 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.273 -7.384 7.901 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.259 -5.979 5.133 1.00 0.00 C ATOM 0 H ILE A 74 -1.716 -9.158 5.165 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.543 -8.494 7.901 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.709 -6.137 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.002 -8.084 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.378 -7.260 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.527 -6.646 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.764 -7.303 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.146 -8.384 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.706 -6.083 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.349 -5.075 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.048 -5.911 5.882 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.481 -6.966 7.343 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.743 -6.308 7.025 1.00 0.00 C ATOM 1162 C ASN A 75 -5.611 -4.792 7.141 1.00 0.00 C ATOM 1163 O ASN A 75 -5.096 -4.280 8.135 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.851 -6.807 7.954 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.002 -8.316 7.915 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.010 -8.923 6.844 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.122 -8.928 9.087 1.00 0.00 N ATOM 0 H ASN A 75 -4.245 -6.968 8.335 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.003 -6.555 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.635 -6.492 8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.796 -6.343 7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.226 -9.942 9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.110 -8.384 9.950 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.079 -4.082 6.120 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.013 -2.626 6.109 1.00 0.00 C ATOM 1176 C GLU A 76 -6.327 -2.056 7.489 1.00 0.00 C ATOM 1177 O GLU A 76 -5.684 -1.109 7.944 1.00 0.00 O ATOM 1178 CB GLU A 76 -6.987 -2.057 5.076 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.299 -2.819 4.992 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.281 -2.186 4.025 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.946 -1.203 4.413 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.384 -2.674 2.880 1.00 0.00 O ATOM 0 H GLU A 76 -6.508 -4.491 5.290 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.998 -2.336 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.196 -1.016 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.509 -2.064 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.100 -3.845 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.751 -2.867 5.983 1.00 0.00 H new ATOM 1189 N THR A 77 -7.321 -2.640 8.151 1.00 0.00 N ATOM 1190 CA THR A 77 -7.723 -2.190 9.478 1.00 0.00 C ATOM 1191 C THR A 77 -6.564 -2.283 10.464 1.00 0.00 C ATOM 1192 O THR A 77 -6.324 -1.360 11.243 1.00 0.00 O ATOM 1193 CB THR A 77 -8.907 -3.016 10.016 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.589 -4.411 9.978 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.164 -2.755 9.200 1.00 0.00 C ATOM 0 H THR A 77 -7.862 -3.425 7.790 1.00 0.00 H new ATOM 0 HA THR A 77 -8.030 -1.149 9.380 1.00 0.00 H new ATOM 0 HB THR A 77 -9.093 -2.714 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.346 -4.929 10.323 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.986 -3.349 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.421 -1.697 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.987 -3.032 8.161 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.848 -3.401 10.425 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.712 -3.613 11.315 1.00 0.00 C ATOM 1205 C ASP A 78 -3.693 -2.487 11.172 1.00 0.00 C ATOM 1206 O ASP A 78 -3.528 -1.916 10.094 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.049 -4.959 11.018 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.792 -6.121 11.645 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.006 -5.980 11.905 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.161 -7.174 11.876 1.00 0.00 O ATOM 0 H ASP A 78 -6.034 -4.175 9.787 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.081 -3.617 12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.997 -5.105 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.024 -4.945 11.388 1.00 0.00 H new ATOM 1215 N THR A 79 -3.010 -2.171 12.269 1.00 0.00 N ATOM 1216 CA THR A 79 -2.009 -1.112 12.267 1.00 0.00 C ATOM 1217 C THR A 79 -0.599 -1.689 12.302 1.00 0.00 C ATOM 1218 O THR A 79 -0.383 -2.843 12.674 1.00 0.00 O ATOM 1219 CB THR A 79 -2.193 -0.163 13.467 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.760 -0.875 14.572 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.090 1.009 13.097 1.00 0.00 C ATOM 0 H THR A 79 -3.132 -2.634 13.170 1.00 0.00 H new ATOM 0 HA THR A 79 -2.146 -0.549 11.344 1.00 0.00 H new ATOM 0 HB THR A 79 -1.214 0.225 13.750 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.872 -0.265 15.331 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.205 1.665 13.960 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.640 1.566 12.275 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.068 0.637 12.791 1.00 0.00 H new ATOM 1229 N PRO A 80 0.387 -0.870 11.905 1.00 0.00 N ATOM 1230 CA PRO A 80 1.795 -1.278 11.883 1.00 0.00 C ATOM 1231 C PRO A 80 2.370 -1.451 13.284 1.00 0.00 C ATOM 1232 O PRO A 80 3.454 -2.008 13.456 1.00 0.00 O ATOM 1233 CB PRO A 80 2.488 -0.120 11.160 1.00 0.00 C ATOM 1234 CG PRO A 80 1.605 1.056 11.395 1.00 0.00 C ATOM 1235 CD PRO A 80 0.202 0.518 11.448 1.00 0.00 C ATOM 0 HA PRO A 80 1.932 -2.245 11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.489 0.051 11.556 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.597 -0.327 10.095 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.865 1.559 12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.711 1.790 10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.421 1.088 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.281 0.559 10.472 1.00 0.00 H new ATOM 1243 N ALA A 81 1.637 -0.970 14.284 1.00 0.00 N ATOM 1244 CA ALA A 81 2.074 -1.075 15.670 1.00 0.00 C ATOM 1245 C ALA A 81 1.626 -2.394 16.289 1.00 0.00 C ATOM 1246 O ALA A 81 2.266 -2.909 17.206 1.00 0.00 O ATOM 1247 CB ALA A 81 1.543 0.098 16.481 1.00 0.00 C ATOM 0 H ALA A 81 0.738 -0.504 14.159 1.00 0.00 H new ATOM 0 HA ALA A 81 3.164 -1.049 15.684 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.877 0.007 17.515 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.918 1.031 16.060 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.453 0.098 16.451 1.00 0.00 H new ATOM 1253 N GLN A 82 0.523 -2.936 15.783 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.011 -4.195 16.288 1.00 0.00 C ATOM 1255 C GLN A 82 0.875 -5.366 15.876 1.00 0.00 C ATOM 1256 O GLN A 82 1.025 -6.337 16.619 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.436 -4.412 15.774 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.183 -5.518 16.502 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.409 -5.203 17.968 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.853 -5.859 18.849 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.228 -4.193 18.237 1.00 0.00 N ATOM 0 H GLN A 82 -0.018 -2.523 15.024 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.029 -4.142 17.377 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.995 -3.481 15.873 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.398 -4.649 14.711 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.145 -5.681 16.017 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.621 -6.448 16.417 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.668 -3.676 17.475 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.417 -3.934 19.205 1.00 0.00 H new ATOM 1270 N LEU A 83 1.459 -5.269 14.687 1.00 0.00 N ATOM 1271 CA LEU A 83 2.330 -6.321 14.174 1.00 0.00 C ATOM 1272 C LEU A 83 3.787 -6.043 14.531 1.00 0.00 C ATOM 1273 O LEU A 83 4.694 -6.721 14.048 1.00 0.00 O ATOM 1274 CB LEU A 83 2.179 -6.443 12.657 1.00 0.00 C ATOM 1275 CG LEU A 83 0.753 -6.334 12.114 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.772 -6.050 10.620 1.00 0.00 C ATOM 1277 CD2 LEU A 83 -0.027 -7.607 12.407 1.00 0.00 C ATOM 0 H LEU A 83 1.345 -4.473 14.060 1.00 0.00 H new ATOM 0 HA LEU A 83 2.034 -7.262 14.638 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.785 -5.668 12.188 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.592 -7.403 12.347 1.00 0.00 H new ATOM 0 HG LEU A 83 0.256 -5.503 12.615 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.251 -5.976 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.294 -5.111 10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.287 -6.859 10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.039 -7.512 12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.468 -8.454 11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.070 -7.768 13.484 1.00 0.00 H new ATOM 1289 N GLU A 84 4.003 -5.043 15.380 1.00 0.00 N ATOM 1290 CA GLU A 84 5.350 -4.678 15.802 1.00 0.00 C ATOM 1291 C GLU A 84 6.236 -4.380 14.595 1.00 0.00 C ATOM 1292 O GLU A 84 7.354 -4.885 14.494 1.00 0.00 O ATOM 1293 CB GLU A 84 5.969 -5.799 16.639 1.00 0.00 C ATOM 1294 CG GLU A 84 5.255 -6.038 17.959 1.00 0.00 C ATOM 1295 CD GLU A 84 5.874 -7.167 18.761 1.00 0.00 C ATOM 1296 OE1 GLU A 84 7.074 -7.073 19.089 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.155 -8.144 19.059 1.00 0.00 O ATOM 0 H GLU A 84 3.263 -4.472 15.789 1.00 0.00 H new ATOM 0 HA GLU A 84 5.280 -3.777 16.411 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.960 -6.722 16.059 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.013 -5.558 16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.277 -5.123 18.551 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.207 -6.267 17.765 1.00 0.00 H new ATOM 1304 N MET A 85 5.727 -3.558 13.684 1.00 0.00 N ATOM 1305 CA MET A 85 6.472 -3.193 12.484 1.00 0.00 C ATOM 1306 C MET A 85 7.654 -2.292 12.831 1.00 0.00 C ATOM 1307 O MET A 85 7.477 -1.211 13.391 1.00 0.00 O ATOM 1308 CB MET A 85 5.555 -2.488 11.483 1.00 0.00 C ATOM 1309 CG MET A 85 4.497 -3.399 10.882 1.00 0.00 C ATOM 1310 SD MET A 85 3.679 -2.665 9.453 1.00 0.00 S ATOM 1311 CE MET A 85 3.885 -3.967 8.239 1.00 0.00 C ATOM 0 H MET A 85 4.803 -3.132 13.753 1.00 0.00 H new ATOM 0 HA MET A 85 6.855 -4.108 12.032 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.063 -1.652 11.980 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.161 -2.069 10.680 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.959 -4.341 10.587 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.751 -3.634 11.642 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.282 -3.743 7.359 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.934 -4.034 7.952 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.564 -4.917 8.666 1.00 0.00 H new ATOM 1321 N GLU A 86 8.857 -2.746 12.495 1.00 0.00 N ATOM 1322 CA GLU A 86 10.067 -1.981 12.773 1.00 0.00 C ATOM 1323 C GLU A 86 10.336 -0.967 11.664 1.00 0.00 C ATOM 1324 O GLU A 86 9.607 -0.907 10.674 1.00 0.00 O ATOM 1325 CB GLU A 86 11.267 -2.918 12.924 1.00 0.00 C ATOM 1326 CG GLU A 86 11.488 -3.822 11.724 1.00 0.00 C ATOM 1327 CD GLU A 86 12.917 -4.319 11.623 1.00 0.00 C ATOM 1328 OE1 GLU A 86 13.253 -5.304 12.313 1.00 0.00 O ATOM 1329 OE2 GLU A 86 13.700 -3.722 10.855 1.00 0.00 O ATOM 0 H GLU A 86 9.020 -3.639 12.030 1.00 0.00 H new ATOM 0 HA GLU A 86 9.918 -1.441 13.708 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.164 -2.322 13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.126 -3.535 13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.814 -4.676 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.230 -3.281 10.814 1.00 0.00 H new ATOM 1336 N ASP A 87 11.386 -0.173 11.839 1.00 0.00 N ATOM 1337 CA ASP A 87 11.753 0.838 10.854 1.00 0.00 C ATOM 1338 C ASP A 87 12.416 0.197 9.639 1.00 0.00 C ATOM 1339 O ASP A 87 13.077 -0.835 9.753 1.00 0.00 O ATOM 1340 CB ASP A 87 12.692 1.871 11.478 1.00 0.00 C ATOM 1341 CG ASP A 87 13.965 1.246 12.016 1.00 0.00 C ATOM 1342 OD1 ASP A 87 13.866 0.344 12.873 1.00 0.00 O ATOM 1343 OD2 ASP A 87 15.060 1.660 11.580 1.00 0.00 O ATOM 0 H ASP A 87 11.998 -0.210 12.654 1.00 0.00 H new ATOM 0 HA ASP A 87 10.842 1.338 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.947 2.623 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.174 2.387 12.287 1.00 0.00 H new ATOM 1348 N GLU A 88 12.233 0.816 8.476 1.00 0.00 N ATOM 1349 CA GLU A 88 12.812 0.304 7.240 1.00 0.00 C ATOM 1350 C GLU A 88 12.388 -1.142 6.998 1.00 0.00 C ATOM 1351 O GLU A 88 13.084 -1.900 6.322 1.00 0.00 O ATOM 1352 CB GLU A 88 14.339 0.397 7.289 1.00 0.00 C ATOM 1353 CG GLU A 88 14.876 1.772 6.927 1.00 0.00 C ATOM 1354 CD GLU A 88 16.353 1.921 7.237 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.685 2.273 8.388 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.177 1.686 6.328 1.00 0.00 O ATOM 0 H GLU A 88 11.689 1.672 8.365 1.00 0.00 H new ATOM 0 HA GLU A 88 12.444 0.915 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.679 0.136 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.762 -0.340 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.711 1.954 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.316 2.532 7.472 1.00 0.00 H new ATOM 1363 N ASP A 89 11.242 -1.517 7.556 1.00 0.00 N ATOM 1364 CA ASP A 89 10.724 -2.871 7.401 1.00 0.00 C ATOM 1365 C ASP A 89 10.512 -3.207 5.928 1.00 0.00 C ATOM 1366 O ASP A 89 10.843 -2.415 5.045 1.00 0.00 O ATOM 1367 CB ASP A 89 9.409 -3.027 8.167 1.00 0.00 C ATOM 1368 CG ASP A 89 9.195 -4.442 8.667 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.717 -5.284 7.879 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.505 -4.708 9.848 1.00 0.00 O ATOM 0 H ASP A 89 10.654 -0.902 8.119 1.00 0.00 H new ATOM 0 HA ASP A 89 11.459 -3.564 7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.401 -2.341 9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.579 -2.744 7.520 1.00 0.00 H new ATOM 1375 N THR A 90 9.959 -4.388 5.669 1.00 0.00 N ATOM 1376 CA THR A 90 9.705 -4.830 4.304 1.00 0.00 C ATOM 1377 C THR A 90 8.344 -5.507 4.189 1.00 0.00 C ATOM 1378 O THR A 90 8.070 -6.490 4.878 1.00 0.00 O ATOM 1379 CB THR A 90 10.794 -5.805 3.817 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.087 -5.209 3.965 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.568 -6.186 2.362 1.00 0.00 C ATOM 0 H THR A 90 9.679 -5.056 6.387 1.00 0.00 H new ATOM 0 HA THR A 90 9.718 -3.939 3.676 1.00 0.00 H new ATOM 0 HB THR A 90 10.740 -6.708 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.774 -5.836 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.349 -6.875 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.595 -6.667 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.597 -5.290 1.742 1.00 0.00 H new ATOM 1389 N ILE A 91 7.496 -4.976 3.315 1.00 0.00 N ATOM 1390 CA ILE A 91 6.164 -5.532 3.110 1.00 0.00 C ATOM 1391 C ILE A 91 6.131 -6.443 1.888 1.00 0.00 C ATOM 1392 O ILE A 91 6.848 -6.218 0.912 1.00 0.00 O ATOM 1393 CB ILE A 91 5.112 -4.421 2.936 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.337 -3.310 3.963 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.709 -4.995 3.067 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.161 -2.369 4.104 1.00 0.00 C ATOM 0 H ILE A 91 7.707 -4.162 2.738 1.00 0.00 H new ATOM 0 HA ILE A 91 5.924 -6.113 4.000 1.00 0.00 H new ATOM 0 HB ILE A 91 5.217 -3.994 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.550 -3.760 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.219 -2.736 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.976 -4.198 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.554 -5.754 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.591 -5.445 4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.392 -1.607 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.961 -1.890 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.282 -2.930 4.420 1.00 0.00 H new ATOM 1408 N ASP A 92 5.293 -7.473 1.947 1.00 0.00 N ATOM 1409 CA ASP A 92 5.164 -8.418 0.844 1.00 0.00 C ATOM 1410 C ASP A 92 3.862 -8.190 0.083 1.00 0.00 C ATOM 1411 O ASP A 92 2.774 -8.267 0.656 1.00 0.00 O ATOM 1412 CB ASP A 92 5.220 -9.854 1.366 1.00 0.00 C ATOM 1413 CG ASP A 92 6.640 -10.366 1.504 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.460 -9.674 2.144 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.932 -11.457 0.973 1.00 0.00 O ATOM 0 H ASP A 92 4.693 -7.674 2.747 1.00 0.00 H new ATOM 0 HA ASP A 92 5.997 -8.256 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.723 -9.905 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.666 -10.505 0.689 1.00 0.00 H new ATOM 1420 N VAL A 93 3.979 -7.908 -1.210 1.00 0.00 N ATOM 1421 CA VAL A 93 2.811 -7.669 -2.050 1.00 0.00 C ATOM 1422 C VAL A 93 2.946 -8.376 -3.393 1.00 0.00 C ATOM 1423 O VAL A 93 4.054 -8.670 -3.844 1.00 0.00 O ATOM 1424 CB VAL A 93 2.595 -6.163 -2.294 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.578 -5.943 -3.404 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.154 -5.474 -1.012 1.00 0.00 C ATOM 0 H VAL A 93 4.871 -7.839 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 93 1.949 -8.071 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 93 3.542 -5.724 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.438 -4.874 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.939 -6.402 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.627 -6.395 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.006 -4.411 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.219 -5.914 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.921 -5.602 -0.248 1.00 0.00 H new ATOM 1436 N PHE A 94 1.811 -8.648 -4.029 1.00 0.00 N ATOM 1437 CA PHE A 94 1.802 -9.322 -5.322 1.00 0.00 C ATOM 1438 C PHE A 94 1.220 -8.417 -6.404 1.00 0.00 C ATOM 1439 O PHE A 94 0.021 -8.140 -6.415 1.00 0.00 O ATOM 1440 CB PHE A 94 0.996 -10.620 -5.239 1.00 0.00 C ATOM 1441 CG PHE A 94 1.413 -11.513 -4.106 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.060 -11.211 -2.801 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.160 -12.656 -4.347 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.444 -12.031 -1.757 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.546 -13.480 -3.307 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.187 -13.168 -2.010 1.00 0.00 C ATOM 0 H PHE A 94 0.886 -8.412 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 94 2.833 -9.559 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.061 -10.376 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.101 -11.164 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.478 -10.324 -2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.443 -12.905 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.163 -11.783 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.128 -14.367 -3.508 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.486 -13.811 -1.196 1.00 0.00 H new ATOM 1456 N GLN A 95 2.078 -7.959 -7.310 1.00 0.00 N ATOM 1457 CA GLN A 95 1.649 -7.084 -8.394 1.00 0.00 C ATOM 1458 C GLN A 95 1.353 -7.887 -9.657 1.00 0.00 C ATOM 1459 O GLN A 95 2.266 -8.390 -10.311 1.00 0.00 O ATOM 1460 CB GLN A 95 2.721 -6.033 -8.684 1.00 0.00 C ATOM 1461 CG GLN A 95 2.560 -4.759 -7.870 1.00 0.00 C ATOM 1462 CD GLN A 95 3.319 -3.588 -8.462 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.489 -3.494 -9.678 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.781 -2.686 -7.603 1.00 0.00 N ATOM 0 H GLN A 95 3.074 -8.179 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 95 0.733 -6.582 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.703 -6.462 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.695 -5.782 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.502 -4.505 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.909 -4.936 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.617 -2.803 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.299 -1.876 -7.943 1.00 0.00 H new ATOM 1473 N GLN A 96 0.073 -8.002 -9.993 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.342 -8.745 -11.176 1.00 0.00 C ATOM 1475 C GLN A 96 -0.045 -7.955 -12.447 1.00 0.00 C ATOM 1476 O GLN A 96 -0.086 -6.726 -12.447 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.835 -9.071 -11.103 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.135 -10.394 -10.416 1.00 0.00 C ATOM 1479 CD GLN A 96 -3.432 -11.018 -10.893 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -4.423 -10.322 -11.120 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -3.434 -12.337 -11.049 1.00 0.00 N ATOM 0 H GLN A 96 -0.695 -7.590 -9.463 1.00 0.00 H new ATOM 0 HA GLN A 96 0.225 -9.675 -11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.348 -8.270 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.243 -9.095 -12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.314 -11.088 -10.598 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.187 -10.236 -9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.591 -12.875 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.279 -12.812 -11.368 1.00 0.00 H new ATOM 1490 N GLN A 97 0.255 -8.671 -13.526 1.00 0.00 N ATOM 1491 CA GLN A 97 0.560 -8.036 -14.802 1.00 0.00 C ATOM 1492 C GLN A 97 -0.542 -8.305 -15.822 1.00 0.00 C ATOM 1493 O GLN A 97 -0.276 -8.762 -16.935 1.00 0.00 O ATOM 1494 CB GLN A 97 1.901 -8.539 -15.339 1.00 0.00 C ATOM 1495 CG GLN A 97 2.527 -7.619 -16.374 1.00 0.00 C ATOM 1496 CD GLN A 97 3.727 -8.242 -17.059 1.00 0.00 C ATOM 1497 OE1 GLN A 97 3.585 -9.121 -17.909 1.00 0.00 O ATOM 1498 NE2 GLN A 97 4.920 -7.787 -16.693 1.00 0.00 N ATOM 0 H GLN A 97 0.293 -9.690 -13.542 1.00 0.00 H new ATOM 0 HA GLN A 97 0.623 -6.960 -14.637 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.594 -8.660 -14.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.759 -9.525 -15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.779 -7.360 -17.124 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.830 -6.690 -15.892 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.992 -7.057 -15.984 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.764 -8.167 -17.121 1.00 0.00 H new ATOM 1507 N THR A 98 -1.781 -8.020 -15.436 1.00 0.00 N ATOM 1508 CA THR A 98 -2.924 -8.232 -16.315 1.00 0.00 C ATOM 1509 C THR A 98 -3.285 -6.956 -17.066 1.00 0.00 C ATOM 1510 O THR A 98 -4.034 -6.119 -16.563 1.00 0.00 O ATOM 1511 CB THR A 98 -4.156 -8.717 -15.528 1.00 0.00 C ATOM 1512 OG1 THR A 98 -3.850 -9.935 -14.840 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.340 -8.938 -16.458 1.00 0.00 C ATOM 0 H THR A 98 -2.019 -7.641 -14.519 1.00 0.00 H new ATOM 0 HA THR A 98 -2.633 -9.001 -17.031 1.00 0.00 H new ATOM 0 HB THR A 98 -4.422 -7.948 -14.803 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.638 -10.236 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.198 -9.280 -15.880 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.589 -8.002 -16.958 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.082 -9.690 -17.203 1.00 0.00 H new ATOM 1521 N SER A 99 -2.748 -6.813 -18.274 1.00 0.00 N ATOM 1522 CA SER A 99 -3.012 -5.636 -19.093 1.00 0.00 C ATOM 1523 C SER A 99 -2.376 -5.781 -20.473 1.00 0.00 C ATOM 1524 O SER A 99 -1.301 -6.362 -20.615 1.00 0.00 O ATOM 1525 CB SER A 99 -2.479 -4.379 -18.404 1.00 0.00 C ATOM 1526 OG SER A 99 -1.067 -4.303 -18.502 1.00 0.00 O ATOM 0 H SER A 99 -2.128 -7.498 -18.707 1.00 0.00 H new ATOM 0 HA SER A 99 -4.091 -5.544 -19.216 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.926 -3.495 -18.858 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.774 -4.383 -17.355 1.00 0.00 H new ATOM 0 HG SER A 99 -0.751 -3.490 -18.055 1.00 0.00 H new ATOM 1532 N GLY A 100 -3.051 -5.249 -21.487 1.00 0.00 N ATOM 1533 CA GLY A 100 -2.539 -5.330 -22.843 1.00 0.00 C ATOM 1534 C GLY A 100 -3.037 -4.197 -23.719 1.00 0.00 C ATOM 1535 O GLY A 100 -2.485 -3.097 -23.722 1.00 0.00 O ATOM 0 H GLY A 100 -3.943 -4.763 -21.394 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.449 -5.314 -22.818 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.834 -6.282 -23.283 1.00 0.00 H new ATOM 1539 N PRO A 101 -4.105 -4.464 -24.486 1.00 0.00 N ATOM 1540 CA PRO A 101 -4.700 -3.471 -25.386 1.00 0.00 C ATOM 1541 C PRO A 101 -5.401 -2.349 -24.629 1.00 0.00 C ATOM 1542 O PRO A 101 -5.681 -1.289 -25.190 1.00 0.00 O ATOM 1543 CB PRO A 101 -5.714 -4.287 -26.193 1.00 0.00 C ATOM 1544 CG PRO A 101 -6.060 -5.437 -25.312 1.00 0.00 C ATOM 1545 CD PRO A 101 -4.813 -5.753 -24.533 1.00 0.00 C ATOM 0 HA PRO A 101 -3.948 -2.973 -25.999 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.596 -3.694 -26.435 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.288 -4.626 -27.137 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.883 -5.183 -24.644 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.381 -6.297 -25.901 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.046 -6.120 -23.534 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.216 -6.522 -25.024 1.00 0.00 H new ATOM 1553 N SER A 102 -5.682 -2.588 -23.352 1.00 0.00 N ATOM 1554 CA SER A 102 -6.354 -1.598 -22.518 1.00 0.00 C ATOM 1555 C SER A 102 -5.744 -0.214 -22.721 1.00 0.00 C ATOM 1556 O SER A 102 -4.525 -0.049 -22.684 1.00 0.00 O ATOM 1557 CB SER A 102 -6.264 -1.996 -21.044 1.00 0.00 C ATOM 1558 OG SER A 102 -4.925 -1.946 -20.582 1.00 0.00 O ATOM 0 H SER A 102 -5.455 -3.459 -22.872 1.00 0.00 H new ATOM 0 HA SER A 102 -7.403 -1.561 -22.813 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.883 -1.328 -20.445 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.660 -3.003 -20.911 1.00 0.00 H new ATOM 0 HG SER A 102 -4.420 -1.294 -21.112 1.00 0.00 H new ATOM 1564 N SER A 103 -6.602 0.779 -22.935 1.00 0.00 N ATOM 1565 CA SER A 103 -6.149 2.148 -23.147 1.00 0.00 C ATOM 1566 C SER A 103 -7.091 3.142 -22.474 1.00 0.00 C ATOM 1567 O SER A 103 -8.252 3.275 -22.860 1.00 0.00 O ATOM 1568 CB SER A 103 -6.056 2.451 -24.644 1.00 0.00 C ATOM 1569 OG SER A 103 -5.204 3.557 -24.888 1.00 0.00 O ATOM 0 H SER A 103 -7.615 0.660 -22.966 1.00 0.00 H new ATOM 0 HA SER A 103 -5.160 2.250 -22.700 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.681 1.575 -25.173 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.050 2.660 -25.039 1.00 0.00 H new ATOM 0 HG SER A 103 -5.160 3.730 -25.852 1.00 0.00 H new ATOM 1575 N GLY A 104 -6.582 3.840 -21.463 1.00 0.00 N ATOM 1576 CA GLY A 104 -7.389 4.813 -20.751 1.00 0.00 C ATOM 1577 C GLY A 104 -7.123 4.807 -19.259 1.00 0.00 C ATOM 1578 O GLY A 104 -6.168 5.425 -18.790 1.00 0.00 O ATOM 0 H GLY A 104 -5.624 3.748 -21.124 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.188 5.808 -21.149 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.444 4.606 -20.930 1.00 0.00 H new TER 1582 GLY A 104