USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=27 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 180:sc= -0.459 USER MOD Set 1.2: A 95 GLN : amide:sc= -1.3 K(o=-1.8,f=-3.4!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 HIS : no HE2:sc= -3.44! C(o=-3.4!,f=-3.6!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.18 K(o=-7.1,f=-3.6) USER MOD Set 3.2: A 24 HIS : no HE2:sc= -5.93! C(o=-7.1!,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -15:sc= 0.659 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+ -138:sc= 0 (180deg=-0.00789) USER MOD Single : A 14 LYS NZ :NH3+ -105:sc= -1.03 (180deg=-2.8!) 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 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -2.19! C(o=-2.2!,f=-10!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -3.46! C(o=-3.5!,f=-9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.499 USER MOD Single : A 48 SER OG : rot -41:sc= -0.177 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -108:sc= -0.0809 (180deg=-0.644) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -30:sc= 0.294 USER MOD Single : A 58 GLN : amide:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -137:sc= -7.02! (180deg=-9.86!) USER MOD Single : A 64 GLN : amide:sc= -0.82 K(o=-0.82,f=-8.7!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 82 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.82) USER MOD Single : A 85 MET CE :methyl 163:sc= -4.9! (180deg=-5.54!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 52:sc= 0.433 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -56:sc= 0.444 USER MOD Single : A 103 SER OG : rot 100:sc= 0.00324 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.240 -8.985 -30.374 1.00 0.00 N ATOM 2 CA GLY A 1 35.894 -8.933 -29.836 1.00 0.00 C ATOM 3 C GLY A 1 35.327 -7.528 -29.825 1.00 0.00 C ATOM 4 O GLY A 1 35.894 -6.618 -30.430 1.00 0.00 O ATOM 0 H1 GLY A 1 37.263 -9.630 -31.189 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.530 -8.033 -30.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.893 -9.329 -29.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.245 -9.579 -30.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.897 -9.328 -28.820 1.00 0.00 H new ATOM 8 N SER A 2 34.203 -7.349 -29.138 1.00 0.00 N ATOM 9 CA SER A 2 33.556 -6.045 -29.055 1.00 0.00 C ATOM 10 C SER A 2 32.728 -5.929 -27.779 1.00 0.00 C ATOM 11 O SER A 2 32.597 -6.890 -27.021 1.00 0.00 O ATOM 12 CB SER A 2 32.665 -5.817 -30.278 1.00 0.00 C ATOM 13 OG SER A 2 32.259 -4.462 -30.366 1.00 0.00 O ATOM 0 H SER A 2 33.721 -8.091 -28.631 1.00 0.00 H new ATOM 0 HA SER A 2 34.333 -5.281 -29.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.204 -6.098 -31.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.787 -6.460 -30.218 1.00 0.00 H new ATOM 0 HG SER A 2 31.692 -4.341 -31.156 1.00 0.00 H new ATOM 19 N SER A 3 32.171 -4.745 -27.549 1.00 0.00 N ATOM 20 CA SER A 3 31.358 -4.500 -26.363 1.00 0.00 C ATOM 21 C SER A 3 30.522 -3.235 -26.529 1.00 0.00 C ATOM 22 O SER A 3 30.767 -2.429 -27.426 1.00 0.00 O ATOM 23 CB SER A 3 32.248 -4.378 -25.125 1.00 0.00 C ATOM 24 OG SER A 3 32.877 -3.109 -25.072 1.00 0.00 O ATOM 0 H SER A 3 32.267 -3.940 -28.168 1.00 0.00 H new ATOM 0 HA SER A 3 30.683 -5.346 -26.234 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.649 -4.528 -24.227 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.005 -5.162 -25.139 1.00 0.00 H new ATOM 0 HG SER A 3 33.439 -3.056 -24.271 1.00 0.00 H new ATOM 30 N GLY A 4 29.533 -3.067 -25.656 1.00 0.00 N ATOM 31 CA GLY A 4 28.675 -1.899 -25.722 1.00 0.00 C ATOM 32 C GLY A 4 28.484 -1.243 -24.369 1.00 0.00 C ATOM 33 O GLY A 4 28.999 -1.724 -23.360 1.00 0.00 O ATOM 0 H GLY A 4 29.311 -3.720 -24.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.104 -1.176 -26.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.703 -2.188 -26.123 1.00 0.00 H new ATOM 37 N SER A 5 27.742 -0.141 -24.347 1.00 0.00 N ATOM 38 CA SER A 5 27.488 0.586 -23.108 1.00 0.00 C ATOM 39 C SER A 5 26.231 1.442 -23.228 1.00 0.00 C ATOM 40 O SER A 5 25.785 1.758 -24.331 1.00 0.00 O ATOM 41 CB SER A 5 28.688 1.467 -22.754 1.00 0.00 C ATOM 42 OG SER A 5 29.866 0.693 -22.613 1.00 0.00 O ATOM 0 H SER A 5 27.306 0.269 -25.173 1.00 0.00 H new ATOM 0 HA SER A 5 27.335 -0.143 -22.312 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.833 2.218 -23.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.488 2.003 -21.826 1.00 0.00 H new ATOM 0 HG SER A 5 29.627 -0.254 -22.528 1.00 0.00 H new ATOM 48 N SER A 6 25.665 1.814 -22.084 1.00 0.00 N ATOM 49 CA SER A 6 24.457 2.631 -22.059 1.00 0.00 C ATOM 50 C SER A 6 24.576 3.745 -21.024 1.00 0.00 C ATOM 51 O SER A 6 25.521 3.779 -20.238 1.00 0.00 O ATOM 52 CB SER A 6 23.236 1.762 -21.753 1.00 0.00 C ATOM 53 OG SER A 6 23.352 1.150 -20.480 1.00 0.00 O ATOM 0 H SER A 6 26.023 1.563 -21.163 1.00 0.00 H new ATOM 0 HA SER A 6 24.334 3.085 -23.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.334 2.373 -21.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.130 0.995 -22.520 1.00 0.00 H new ATOM 0 HG SER A 6 22.559 0.601 -20.307 1.00 0.00 H new ATOM 59 N GLY A 7 23.608 4.657 -21.032 1.00 0.00 N ATOM 60 CA GLY A 7 23.622 5.761 -20.090 1.00 0.00 C ATOM 61 C GLY A 7 22.353 5.835 -19.265 1.00 0.00 C ATOM 62 O GLY A 7 21.401 5.094 -19.509 1.00 0.00 O ATOM 0 H GLY A 7 22.815 4.651 -21.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.479 5.656 -19.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.753 6.697 -20.633 1.00 0.00 H new ATOM 66 N MET A 8 22.338 6.731 -18.283 1.00 0.00 N ATOM 67 CA MET A 8 21.175 6.899 -17.419 1.00 0.00 C ATOM 68 C MET A 8 20.511 8.251 -17.657 1.00 0.00 C ATOM 69 O MET A 8 21.185 9.245 -17.928 1.00 0.00 O ATOM 70 CB MET A 8 21.582 6.768 -15.950 1.00 0.00 C ATOM 71 CG MET A 8 20.410 6.526 -15.014 1.00 0.00 C ATOM 72 SD MET A 8 20.839 6.785 -13.282 1.00 0.00 S ATOM 73 CE MET A 8 19.641 8.033 -12.818 1.00 0.00 C ATOM 0 H MET A 8 23.118 7.352 -18.066 1.00 0.00 H new ATOM 0 HA MET A 8 20.457 6.115 -17.661 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.292 5.947 -15.850 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.100 7.676 -15.643 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.590 7.192 -15.285 1.00 0.00 H new ATOM 0 HG3 MET A 8 20.049 5.506 -15.146 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.779 8.298 -11.770 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.780 8.919 -13.438 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.634 7.642 -12.963 1.00 0.00 H new ATOM 83 N ALA A 9 19.187 8.281 -17.553 1.00 0.00 N ATOM 84 CA ALA A 9 18.432 9.512 -17.755 1.00 0.00 C ATOM 85 C ALA A 9 18.190 10.231 -16.432 1.00 0.00 C ATOM 86 O ALA A 9 17.227 9.939 -15.723 1.00 0.00 O ATOM 87 CB ALA A 9 17.110 9.214 -18.445 1.00 0.00 C ATOM 0 H ALA A 9 18.614 7.467 -17.330 1.00 0.00 H new ATOM 0 HA ALA A 9 19.022 10.170 -18.394 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.557 10.142 -18.589 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.301 8.751 -19.413 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.523 8.534 -17.828 1.00 0.00 H new ATOM 93 N ASP A 10 19.070 11.171 -16.105 1.00 0.00 N ATOM 94 CA ASP A 10 18.951 11.932 -14.867 1.00 0.00 C ATOM 95 C ASP A 10 17.795 12.924 -14.948 1.00 0.00 C ATOM 96 O ASP A 10 17.941 14.020 -15.489 1.00 0.00 O ATOM 97 CB ASP A 10 20.256 12.674 -14.572 1.00 0.00 C ATOM 98 CG ASP A 10 21.217 11.847 -13.741 1.00 0.00 C ATOM 99 OD1 ASP A 10 20.849 11.470 -12.609 1.00 0.00 O ATOM 100 OD2 ASP A 10 22.337 11.577 -14.223 1.00 0.00 O ATOM 0 H ASP A 10 19.873 11.424 -16.680 1.00 0.00 H new ATOM 0 HA ASP A 10 18.749 11.231 -14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 10 20.736 12.947 -15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.032 13.602 -14.047 1.00 0.00 H new ATOM 105 N GLU A 11 16.646 12.531 -14.407 1.00 0.00 N ATOM 106 CA GLU A 11 15.464 13.386 -14.420 1.00 0.00 C ATOM 107 C GLU A 11 15.369 14.202 -13.134 1.00 0.00 C ATOM 108 O GLU A 11 14.388 14.109 -12.396 1.00 0.00 O ATOM 109 CB GLU A 11 14.200 12.543 -14.596 1.00 0.00 C ATOM 110 CG GLU A 11 14.114 11.850 -15.945 1.00 0.00 C ATOM 111 CD GLU A 11 12.928 10.910 -16.044 1.00 0.00 C ATOM 112 OE1 GLU A 11 11.788 11.405 -16.170 1.00 0.00 O ATOM 113 OE2 GLU A 11 13.139 9.680 -15.995 1.00 0.00 O ATOM 0 H GLU A 11 16.508 11.627 -13.955 1.00 0.00 H new ATOM 0 HA GLU A 11 15.554 14.074 -15.261 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.162 11.791 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.326 13.182 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.044 12.602 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.032 11.290 -16.121 1.00 0.00 H new ATOM 120 N LYS A 12 16.396 15.003 -12.871 1.00 0.00 N ATOM 121 CA LYS A 12 16.431 15.837 -11.676 1.00 0.00 C ATOM 122 C LYS A 12 16.032 15.035 -10.441 1.00 0.00 C ATOM 123 O LYS A 12 15.143 15.421 -9.681 1.00 0.00 O ATOM 124 CB LYS A 12 15.497 17.039 -11.840 1.00 0.00 C ATOM 125 CG LYS A 12 15.903 17.974 -12.966 1.00 0.00 C ATOM 126 CD LYS A 12 15.432 19.395 -12.707 1.00 0.00 C ATOM 127 CE LYS A 12 14.043 19.635 -13.277 1.00 0.00 C ATOM 128 NZ LYS A 12 12.974 19.277 -12.304 1.00 0.00 N ATOM 0 H LYS A 12 17.216 15.092 -13.471 1.00 0.00 H new ATOM 0 HA LYS A 12 17.452 16.194 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.485 16.680 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.471 17.599 -10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.987 17.963 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.484 17.616 -13.906 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.424 19.587 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.135 20.099 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.942 20.683 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.917 19.048 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.209 18.776 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.370 18.662 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.596 20.143 -11.869 1.00 0.00 H new ATOM 142 N PRO A 13 16.704 13.893 -10.233 1.00 0.00 N ATOM 143 CA PRO A 13 16.438 13.015 -9.090 1.00 0.00 C ATOM 144 C PRO A 13 16.883 13.632 -7.769 1.00 0.00 C ATOM 145 O PRO A 13 17.953 13.312 -7.251 1.00 0.00 O ATOM 146 CB PRO A 13 17.265 11.766 -9.402 1.00 0.00 C ATOM 147 CG PRO A 13 18.362 12.250 -10.287 1.00 0.00 C ATOM 148 CD PRO A 13 17.776 13.372 -11.098 1.00 0.00 C ATOM 0 HA PRO A 13 15.373 12.818 -8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.660 11.315 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.662 11.006 -9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 13 19.213 12.596 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 13 18.724 11.450 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 13 18.519 14.137 -11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.386 13.017 -12.052 1.00 0.00 H new ATOM 156 N LYS A 14 16.055 14.519 -7.227 1.00 0.00 N ATOM 157 CA LYS A 14 16.361 15.180 -5.964 1.00 0.00 C ATOM 158 C LYS A 14 15.083 15.526 -5.206 1.00 0.00 C ATOM 159 O LYS A 14 14.031 15.734 -5.809 1.00 0.00 O ATOM 160 CB LYS A 14 17.177 16.451 -6.215 1.00 0.00 C ATOM 161 CG LYS A 14 18.678 16.216 -6.233 1.00 0.00 C ATOM 162 CD LYS A 14 19.225 15.999 -4.833 1.00 0.00 C ATOM 163 CE LYS A 14 19.247 17.294 -4.036 1.00 0.00 C ATOM 164 NZ LYS A 14 17.977 17.507 -3.289 1.00 0.00 N ATOM 0 H LYS A 14 15.166 14.797 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 14 16.948 14.492 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 14 16.874 16.885 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.941 17.183 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.904 15.347 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.176 17.071 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.614 15.261 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.234 15.591 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.082 17.275 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.416 18.133 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.412 18.238 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.438 16.618 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.192 17.814 -2.319 1.00 0.00 H new ATOM 178 N GLU A 15 15.184 15.586 -3.882 1.00 0.00 N ATOM 179 CA GLU A 15 14.035 15.907 -3.044 1.00 0.00 C ATOM 180 C GLU A 15 14.473 16.215 -1.615 1.00 0.00 C ATOM 181 O GLU A 15 15.485 15.702 -1.140 1.00 0.00 O ATOM 182 CB GLU A 15 13.036 14.747 -3.043 1.00 0.00 C ATOM 183 CG GLU A 15 11.695 15.099 -2.420 1.00 0.00 C ATOM 184 CD GLU A 15 10.873 13.873 -2.075 1.00 0.00 C ATOM 185 OE1 GLU A 15 11.218 13.185 -1.092 1.00 0.00 O ATOM 186 OE2 GLU A 15 9.884 13.603 -2.788 1.00 0.00 O ATOM 0 H GLU A 15 16.048 15.417 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 15 13.553 16.793 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.875 14.416 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.469 13.906 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.861 15.686 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.132 15.727 -3.110 1.00 0.00 H new ATOM 193 N GLY A 16 13.703 17.059 -0.935 1.00 0.00 N ATOM 194 CA GLY A 16 14.028 17.423 0.432 1.00 0.00 C ATOM 195 C GLY A 16 12.999 16.920 1.426 1.00 0.00 C ATOM 196 O GLY A 16 11.878 17.427 1.480 1.00 0.00 O ATOM 0 H GLY A 16 12.860 17.497 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.006 17.018 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.102 18.508 0.508 1.00 0.00 H new ATOM 200 N VAL A 17 13.380 15.920 2.214 1.00 0.00 N ATOM 201 CA VAL A 17 12.482 15.348 3.210 1.00 0.00 C ATOM 202 C VAL A 17 12.903 15.744 4.621 1.00 0.00 C ATOM 203 O VAL A 17 13.853 15.190 5.176 1.00 0.00 O ATOM 204 CB VAL A 17 12.440 13.811 3.111 1.00 0.00 C ATOM 205 CG1 VAL A 17 11.537 13.231 4.189 1.00 0.00 C ATOM 206 CG2 VAL A 17 11.978 13.380 1.728 1.00 0.00 C ATOM 0 H VAL A 17 14.304 15.489 2.182 1.00 0.00 H new ATOM 0 HA VAL A 17 11.488 15.745 3.005 1.00 0.00 H new ATOM 0 HB VAL A 17 13.447 13.426 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.520 12.145 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.917 13.512 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.527 13.621 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.954 12.292 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.980 13.775 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.669 13.765 0.977 1.00 0.00 H new ATOM 216 N LYS A 18 12.190 16.706 5.197 1.00 0.00 N ATOM 217 CA LYS A 18 12.487 17.176 6.545 1.00 0.00 C ATOM 218 C LYS A 18 11.625 16.455 7.576 1.00 0.00 C ATOM 219 O LYS A 18 10.397 16.543 7.545 1.00 0.00 O ATOM 220 CB LYS A 18 12.260 18.687 6.642 1.00 0.00 C ATOM 221 CG LYS A 18 13.303 19.507 5.903 1.00 0.00 C ATOM 222 CD LYS A 18 12.991 19.600 4.419 1.00 0.00 C ATOM 223 CE LYS A 18 13.642 20.821 3.788 1.00 0.00 C ATOM 224 NZ LYS A 18 12.777 22.028 3.894 1.00 0.00 N ATOM 0 H LYS A 18 11.402 17.176 4.751 1.00 0.00 H new ATOM 0 HA LYS A 18 13.534 16.957 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.274 18.924 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.258 18.979 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.348 20.509 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.286 19.057 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.341 18.699 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.912 19.647 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.598 21.015 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.854 20.618 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.256 22.838 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.875 21.852 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.595 22.238 4.896 1.00 0.00 H new ATOM 238 N THR A 19 12.275 15.740 8.489 1.00 0.00 N ATOM 239 CA THR A 19 11.568 15.004 9.529 1.00 0.00 C ATOM 240 C THR A 19 11.464 15.824 10.810 1.00 0.00 C ATOM 241 O THR A 19 12.464 16.336 11.313 1.00 0.00 O ATOM 242 CB THR A 19 12.266 13.668 9.845 1.00 0.00 C ATOM 243 OG1 THR A 19 12.380 12.881 8.654 1.00 0.00 O ATOM 244 CG2 THR A 19 11.495 12.890 10.900 1.00 0.00 C ATOM 0 H THR A 19 13.291 15.655 8.529 1.00 0.00 H new ATOM 0 HA THR A 19 10.567 14.802 9.147 1.00 0.00 H new ATOM 0 HB THR A 19 13.261 13.887 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.826 12.034 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.008 11.950 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.435 13.479 11.815 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.489 12.682 10.536 1.00 0.00 H new ATOM 252 N GLU A 20 10.247 15.945 11.332 1.00 0.00 N ATOM 253 CA GLU A 20 10.014 16.705 12.555 1.00 0.00 C ATOM 254 C GLU A 20 9.990 15.784 13.771 1.00 0.00 C ATOM 255 O GLU A 20 10.549 16.106 14.818 1.00 0.00 O ATOM 256 CB GLU A 20 8.696 17.476 12.459 1.00 0.00 C ATOM 257 CG GLU A 20 8.648 18.711 13.343 1.00 0.00 C ATOM 258 CD GLU A 20 7.634 19.732 12.864 1.00 0.00 C ATOM 259 OE1 GLU A 20 6.421 19.483 13.024 1.00 0.00 O ATOM 260 OE2 GLU A 20 8.054 20.779 12.329 1.00 0.00 O ATOM 0 H GLU A 20 9.409 15.527 10.928 1.00 0.00 H new ATOM 0 HA GLU A 20 10.833 17.414 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.534 17.774 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.876 16.812 12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.405 18.414 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.636 19.171 13.372 1.00 0.00 H new ATOM 267 N ASN A 21 9.336 14.636 13.623 1.00 0.00 N ATOM 268 CA ASN A 21 9.237 13.667 14.710 1.00 0.00 C ATOM 269 C ASN A 21 9.267 12.240 14.171 1.00 0.00 C ATOM 270 O ASN A 21 8.981 12.003 12.998 1.00 0.00 O ATOM 271 CB ASN A 21 7.953 13.896 15.509 1.00 0.00 C ATOM 272 CG ASN A 21 6.771 14.234 14.620 1.00 0.00 C ATOM 273 OD1 ASN A 21 6.127 15.268 14.792 1.00 0.00 O ATOM 274 ND2 ASN A 21 6.482 13.360 13.663 1.00 0.00 N ATOM 0 H ASN A 21 8.867 14.354 12.762 1.00 0.00 H new ATOM 0 HA ASN A 21 10.095 13.806 15.367 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.724 13.001 16.088 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.111 14.705 16.222 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.698 13.533 13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.044 12.515 13.557 1.00 0.00 H new ATOM 281 N ASN A 22 9.616 11.294 15.036 1.00 0.00 N ATOM 282 CA ASN A 22 9.683 9.890 14.648 1.00 0.00 C ATOM 283 C ASN A 22 8.350 9.192 14.897 1.00 0.00 C ATOM 284 O ASN A 22 8.298 8.140 15.536 1.00 0.00 O ATOM 285 CB ASN A 22 10.796 9.179 15.420 1.00 0.00 C ATOM 286 CG ASN A 22 12.177 9.544 14.911 1.00 0.00 C ATOM 287 OD1 ASN A 22 12.708 8.900 14.006 1.00 0.00 O ATOM 288 ND2 ASN A 22 12.766 10.583 15.492 1.00 0.00 N ATOM 0 H ASN A 22 9.857 11.474 16.011 1.00 0.00 H new ATOM 0 HA ASN A 22 9.903 9.844 13.581 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.722 9.435 16.477 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.657 8.101 15.343 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.696 10.876 15.191 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.289 11.088 16.239 1.00 0.00 H new ATOM 295 N ASP A 23 7.274 9.783 14.389 1.00 0.00 N ATOM 296 CA ASP A 23 5.940 9.218 14.555 1.00 0.00 C ATOM 297 C ASP A 23 5.508 8.467 13.299 1.00 0.00 C ATOM 298 O ASP A 23 4.326 8.436 12.957 1.00 0.00 O ATOM 299 CB ASP A 23 4.932 10.322 14.877 1.00 0.00 C ATOM 300 CG ASP A 23 4.807 10.576 16.366 1.00 0.00 C ATOM 301 OD1 ASP A 23 4.235 9.717 17.069 1.00 0.00 O ATOM 302 OD2 ASP A 23 5.283 11.634 16.828 1.00 0.00 O ATOM 0 H ASP A 23 7.300 10.654 13.858 1.00 0.00 H new ATOM 0 HA ASP A 23 5.971 8.513 15.385 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.235 11.243 14.379 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.957 10.048 14.475 1.00 0.00 H new ATOM 307 N HIS A 24 6.475 7.863 12.615 1.00 0.00 N ATOM 308 CA HIS A 24 6.195 7.112 11.396 1.00 0.00 C ATOM 309 C HIS A 24 7.240 6.022 11.177 1.00 0.00 C ATOM 310 O HIS A 24 8.367 6.124 11.661 1.00 0.00 O ATOM 311 CB HIS A 24 6.160 8.051 10.190 1.00 0.00 C ATOM 312 CG HIS A 24 5.610 9.409 10.504 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.437 9.890 9.962 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.080 10.389 11.312 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.210 11.108 10.421 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.192 11.434 11.242 1.00 0.00 N ATOM 0 H HIS A 24 7.459 7.879 12.884 1.00 0.00 H new ATOM 0 HA HIS A 24 5.220 6.638 11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.170 8.160 9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.557 7.597 9.404 1.00 0.00 H new ATOM 0 HD1 HIS A 24 3.838 9.385 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.984 10.355 11.901 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.365 11.731 10.168 1.00 0.00 H new ATOM 325 N ILE A 25 6.857 4.981 10.446 1.00 0.00 N ATOM 326 CA ILE A 25 7.761 3.873 10.163 1.00 0.00 C ATOM 327 C ILE A 25 7.865 3.618 8.663 1.00 0.00 C ATOM 328 O ILE A 25 6.873 3.696 7.940 1.00 0.00 O ATOM 329 CB ILE A 25 7.303 2.580 10.862 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.928 2.154 10.344 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.270 2.776 12.370 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.553 0.738 10.719 1.00 0.00 C ATOM 0 H ILE A 25 5.927 4.881 10.039 1.00 0.00 H new ATOM 0 HA ILE A 25 8.740 4.158 10.549 1.00 0.00 H new ATOM 0 HB ILE A 25 8.017 1.789 10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.174 2.837 10.736 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.912 2.250 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.944 1.853 12.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.267 3.037 12.725 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.575 3.578 12.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.566 0.505 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.286 0.046 10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.536 0.641 11.805 1.00 0.00 H new ATOM 344 N ASN A 26 9.074 3.311 8.203 1.00 0.00 N ATOM 345 CA ASN A 26 9.308 3.042 6.789 1.00 0.00 C ATOM 346 C ASN A 26 9.106 1.563 6.475 1.00 0.00 C ATOM 347 O ASN A 26 9.514 0.693 7.246 1.00 0.00 O ATOM 348 CB ASN A 26 10.722 3.471 6.394 1.00 0.00 C ATOM 349 CG ASN A 26 11.240 4.613 7.247 1.00 0.00 C ATOM 350 OD1 ASN A 26 11.142 4.580 8.473 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.794 5.631 6.599 1.00 0.00 N ATOM 0 H ASN A 26 9.906 3.242 8.789 1.00 0.00 H new ATOM 0 HA ASN A 26 8.586 3.619 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.396 2.619 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.728 3.772 5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.160 6.428 7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.854 5.616 5.581 1.00 0.00 H new ATOM 358 N LEU A 27 8.475 1.285 5.340 1.00 0.00 N ATOM 359 CA LEU A 27 8.219 -0.090 4.923 1.00 0.00 C ATOM 360 C LEU A 27 8.547 -0.281 3.446 1.00 0.00 C ATOM 361 O LEU A 27 7.992 0.398 2.582 1.00 0.00 O ATOM 362 CB LEU A 27 6.758 -0.459 5.185 1.00 0.00 C ATOM 363 CG LEU A 27 6.115 0.178 6.417 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.601 0.041 6.360 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.662 -0.453 7.690 1.00 0.00 C ATOM 0 H LEU A 27 8.131 1.993 4.691 1.00 0.00 H new ATOM 0 HA LEU A 27 8.864 -0.747 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.171 -0.181 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.690 -1.542 5.284 1.00 0.00 H new ATOM 0 HG LEU A 27 6.363 1.239 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.161 0.500 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.224 0.539 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.332 -1.015 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.193 0.012 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.444 -1.521 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.741 -0.303 7.736 1.00 0.00 H new ATOM 377 N LYS A 28 9.452 -1.211 3.162 1.00 0.00 N ATOM 378 CA LYS A 28 9.853 -1.496 1.789 1.00 0.00 C ATOM 379 C LYS A 28 9.002 -2.613 1.194 1.00 0.00 C ATOM 380 O LYS A 28 9.097 -3.768 1.611 1.00 0.00 O ATOM 381 CB LYS A 28 11.332 -1.884 1.738 1.00 0.00 C ATOM 382 CG LYS A 28 12.276 -0.698 1.825 1.00 0.00 C ATOM 383 CD LYS A 28 13.673 -1.126 2.242 1.00 0.00 C ATOM 384 CE LYS A 28 13.788 -1.258 3.753 1.00 0.00 C ATOM 385 NZ LYS A 28 14.911 -2.152 4.148 1.00 0.00 N ATOM 0 H LYS A 28 9.922 -1.781 3.865 1.00 0.00 H new ATOM 0 HA LYS A 28 9.700 -0.593 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.547 -2.570 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.525 -2.424 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.322 -0.197 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.887 0.026 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.918 -2.079 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.400 -0.398 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.937 -0.272 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.854 -1.649 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.956 -2.216 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.757 -3.100 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.806 -1.766 3.786 1.00 0.00 H new ATOM 399 N VAL A 29 8.171 -2.262 0.218 1.00 0.00 N ATOM 400 CA VAL A 29 7.305 -3.236 -0.436 1.00 0.00 C ATOM 401 C VAL A 29 7.977 -3.827 -1.671 1.00 0.00 C ATOM 402 O VAL A 29 8.556 -3.103 -2.481 1.00 0.00 O ATOM 403 CB VAL A 29 5.962 -2.606 -0.848 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.970 -3.683 -1.258 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.403 -1.757 0.284 1.00 0.00 C ATOM 0 H VAL A 29 8.079 -1.310 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 29 7.118 -4.030 0.288 1.00 0.00 H new ATOM 0 HB VAL A 29 6.133 -1.958 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.027 -3.218 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.371 -4.244 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.800 -4.359 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.454 -1.319 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.246 -2.381 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.108 -0.961 0.525 1.00 0.00 H new ATOM 415 N ALA A 30 7.894 -5.146 -1.809 1.00 0.00 N ATOM 416 CA ALA A 30 8.491 -5.834 -2.947 1.00 0.00 C ATOM 417 C ALA A 30 7.436 -6.592 -3.746 1.00 0.00 C ATOM 418 O ALA A 30 6.713 -7.426 -3.203 1.00 0.00 O ATOM 419 CB ALA A 30 9.582 -6.784 -2.476 1.00 0.00 C ATOM 0 H ALA A 30 7.419 -5.760 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 30 8.935 -5.084 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.019 -7.291 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.356 -6.220 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.154 -7.523 -1.798 1.00 0.00 H new ATOM 425 N GLY A 31 7.353 -6.294 -5.039 1.00 0.00 N ATOM 426 CA GLY A 31 6.382 -6.955 -5.891 1.00 0.00 C ATOM 427 C GLY A 31 6.737 -6.853 -7.362 1.00 0.00 C ATOM 428 O GLY A 31 6.752 -7.857 -8.073 1.00 0.00 O ATOM 0 H GLY A 31 7.941 -5.607 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.312 -8.006 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.399 -6.514 -5.726 1.00 0.00 H new ATOM 432 N GLN A 32 7.021 -5.637 -7.817 1.00 0.00 N ATOM 433 CA GLN A 32 7.375 -5.409 -9.213 1.00 0.00 C ATOM 434 C GLN A 32 8.451 -6.388 -9.670 1.00 0.00 C ATOM 435 O GLN A 32 8.955 -7.185 -8.878 1.00 0.00 O ATOM 436 CB GLN A 32 7.860 -3.971 -9.409 1.00 0.00 C ATOM 437 CG GLN A 32 6.732 -2.966 -9.580 1.00 0.00 C ATOM 438 CD GLN A 32 7.135 -1.776 -10.428 1.00 0.00 C ATOM 439 OE1 GLN A 32 8.299 -1.631 -10.803 1.00 0.00 O ATOM 440 NE2 GLN A 32 6.172 -0.915 -10.736 1.00 0.00 N ATOM 0 H GLN A 32 7.013 -4.796 -7.240 1.00 0.00 H new ATOM 0 HA GLN A 32 6.483 -5.571 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.467 -3.681 -8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.507 -3.931 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.876 -3.461 -10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.410 -2.616 -8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.221 -1.074 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.384 -0.095 -11.304 1.00 0.00 H new ATOM 449 N ASP A 33 8.798 -6.324 -10.950 1.00 0.00 N ATOM 450 CA ASP A 33 9.815 -7.204 -11.513 1.00 0.00 C ATOM 451 C ASP A 33 11.214 -6.653 -11.255 1.00 0.00 C ATOM 452 O ASP A 33 12.170 -7.013 -11.940 1.00 0.00 O ATOM 453 CB ASP A 33 9.592 -7.382 -13.015 1.00 0.00 C ATOM 454 CG ASP A 33 8.687 -8.556 -13.332 1.00 0.00 C ATOM 455 OD1 ASP A 33 9.034 -9.693 -12.948 1.00 0.00 O ATOM 456 OD2 ASP A 33 7.632 -8.339 -13.963 1.00 0.00 O ATOM 0 H ASP A 33 8.389 -5.671 -11.619 1.00 0.00 H new ATOM 0 HA ASP A 33 9.731 -8.175 -11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.157 -6.471 -13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.554 -7.525 -13.507 1.00 0.00 H new ATOM 461 N GLY A 34 11.325 -5.777 -10.261 1.00 0.00 N ATOM 462 CA GLY A 34 12.610 -5.189 -9.931 1.00 0.00 C ATOM 463 C GLY A 34 12.488 -3.753 -9.463 1.00 0.00 C ATOM 464 O GLY A 34 13.309 -2.906 -9.814 1.00 0.00 O ATOM 0 H GLY A 34 10.548 -5.464 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.088 -5.782 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.259 -5.229 -10.805 1.00 0.00 H new ATOM 468 N SER A 35 11.458 -3.476 -8.669 1.00 0.00 N ATOM 469 CA SER A 35 11.228 -2.131 -8.156 1.00 0.00 C ATOM 470 C SER A 35 10.642 -2.179 -6.748 1.00 0.00 C ATOM 471 O SER A 35 9.569 -2.741 -6.528 1.00 0.00 O ATOM 472 CB SER A 35 10.287 -1.362 -9.086 1.00 0.00 C ATOM 473 OG SER A 35 10.559 0.028 -9.050 1.00 0.00 O ATOM 0 H SER A 35 10.770 -4.166 -8.367 1.00 0.00 H new ATOM 0 HA SER A 35 12.188 -1.616 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.397 -1.731 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.253 -1.541 -8.792 1.00 0.00 H new ATOM 0 HG SER A 35 9.951 0.496 -9.659 1.00 0.00 H new ATOM 479 N VAL A 36 11.356 -1.585 -5.796 1.00 0.00 N ATOM 480 CA VAL A 36 10.909 -1.558 -4.409 1.00 0.00 C ATOM 481 C VAL A 36 10.263 -0.221 -4.066 1.00 0.00 C ATOM 482 O VAL A 36 10.857 0.838 -4.268 1.00 0.00 O ATOM 483 CB VAL A 36 12.076 -1.817 -3.438 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.616 -1.660 -1.996 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.665 -3.200 -3.670 1.00 0.00 C ATOM 0 H VAL A 36 12.247 -1.116 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 36 10.172 -2.353 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 36 12.855 -1.079 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.454 -1.847 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.245 -0.647 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.819 -2.374 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.488 -3.366 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.896 -3.955 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.034 -3.271 -4.693 1.00 0.00 H new ATOM 495 N VAL A 37 9.041 -0.276 -3.545 1.00 0.00 N ATOM 496 CA VAL A 37 8.314 0.931 -3.171 1.00 0.00 C ATOM 497 C VAL A 37 8.243 1.083 -1.656 1.00 0.00 C ATOM 498 O VAL A 37 7.737 0.204 -0.958 1.00 0.00 O ATOM 499 CB VAL A 37 6.884 0.924 -3.743 1.00 0.00 C ATOM 500 CG1 VAL A 37 6.288 2.324 -3.708 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.880 0.370 -5.160 1.00 0.00 C ATOM 0 H VAL A 37 8.534 -1.144 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 37 8.862 1.774 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 37 6.266 0.276 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.278 2.300 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.255 2.680 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.904 2.997 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.862 0.372 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.512 0.991 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.263 -0.650 -5.153 1.00 0.00 H new ATOM 511 N GLN A 38 8.752 2.204 -1.154 1.00 0.00 N ATOM 512 CA GLN A 38 8.746 2.470 0.279 1.00 0.00 C ATOM 513 C GLN A 38 7.540 3.319 0.670 1.00 0.00 C ATOM 514 O GLN A 38 7.023 4.090 -0.138 1.00 0.00 O ATOM 515 CB GLN A 38 10.038 3.177 0.693 1.00 0.00 C ATOM 516 CG GLN A 38 11.215 2.233 0.876 1.00 0.00 C ATOM 517 CD GLN A 38 12.547 2.956 0.881 1.00 0.00 C ATOM 518 OE1 GLN A 38 13.030 3.386 1.930 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.150 3.096 -0.294 1.00 0.00 N ATOM 0 H GLN A 38 9.173 2.942 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 38 8.679 1.515 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.293 3.921 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.866 3.715 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.097 1.689 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.210 1.493 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.714 2.724 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.049 3.575 -0.352 1.00 0.00 H new ATOM 528 N PHE A 39 7.098 3.172 1.914 1.00 0.00 N ATOM 529 CA PHE A 39 5.952 3.924 2.412 1.00 0.00 C ATOM 530 C PHE A 39 6.180 4.372 3.853 1.00 0.00 C ATOM 531 O PHE A 39 6.480 3.559 4.728 1.00 0.00 O ATOM 532 CB PHE A 39 4.681 3.076 2.324 1.00 0.00 C ATOM 533 CG PHE A 39 4.251 2.785 0.915 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.864 1.781 0.183 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.233 3.514 0.323 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.471 1.512 -1.114 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.835 3.249 -0.974 1.00 0.00 C ATOM 538 CZ PHE A 39 3.454 2.246 -1.693 1.00 0.00 C ATOM 0 H PHE A 39 7.516 2.539 2.596 1.00 0.00 H new ATOM 0 HA PHE A 39 5.832 4.811 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.845 2.134 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.873 3.592 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.658 1.202 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.744 4.299 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.959 0.728 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.041 3.826 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.144 2.036 -2.706 1.00 0.00 H new ATOM 548 N LYS A 40 6.036 5.671 4.092 1.00 0.00 N ATOM 549 CA LYS A 40 6.224 6.229 5.426 1.00 0.00 C ATOM 550 C LYS A 40 4.887 6.618 6.047 1.00 0.00 C ATOM 551 O LYS A 40 4.316 7.657 5.714 1.00 0.00 O ATOM 552 CB LYS A 40 7.144 7.451 5.364 1.00 0.00 C ATOM 553 CG LYS A 40 7.294 8.167 6.695 1.00 0.00 C ATOM 554 CD LYS A 40 7.755 9.603 6.507 1.00 0.00 C ATOM 555 CE LYS A 40 7.339 10.480 7.678 1.00 0.00 C ATOM 556 NZ LYS A 40 7.947 11.837 7.598 1.00 0.00 N ATOM 0 H LYS A 40 5.790 6.357 3.379 1.00 0.00 H new ATOM 0 HA LYS A 40 6.686 5.464 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.128 7.137 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.754 8.152 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.341 8.156 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.011 7.632 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.840 9.627 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.335 10.003 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.253 10.569 7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.636 10.003 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.639 12.404 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.984 11.754 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.643 12.302 6.719 1.00 0.00 H new ATOM 570 N ILE A 41 4.394 5.779 6.952 1.00 0.00 N ATOM 571 CA ILE A 41 3.125 6.037 7.621 1.00 0.00 C ATOM 572 C ILE A 41 3.302 6.086 9.135 1.00 0.00 C ATOM 573 O ILE A 41 4.370 5.768 9.657 1.00 0.00 O ATOM 574 CB ILE A 41 2.076 4.965 7.272 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.296 3.710 8.120 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.137 4.627 5.790 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.357 2.575 7.774 1.00 0.00 C ATOM 0 H ILE A 41 4.854 4.915 7.239 1.00 0.00 H new ATOM 0 HA ILE A 41 2.773 7.006 7.267 1.00 0.00 H new ATOM 0 HB ILE A 41 1.085 5.361 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.324 3.371 7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.172 3.966 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.390 3.868 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.937 5.524 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.128 4.247 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.570 1.719 8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.327 2.896 7.928 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.497 2.292 6.731 1.00 0.00 H new ATOM 589 N LYS A 42 2.245 6.484 9.836 1.00 0.00 N ATOM 590 CA LYS A 42 2.281 6.571 11.291 1.00 0.00 C ATOM 591 C LYS A 42 2.102 5.195 11.923 1.00 0.00 C ATOM 592 O LYS A 42 1.292 4.390 11.462 1.00 0.00 O ATOM 593 CB LYS A 42 1.190 7.520 11.792 1.00 0.00 C ATOM 594 CG LYS A 42 1.036 8.771 10.944 1.00 0.00 C ATOM 595 CD LYS A 42 0.481 9.930 11.756 1.00 0.00 C ATOM 596 CE LYS A 42 1.543 10.533 12.664 1.00 0.00 C ATOM 597 NZ LYS A 42 0.976 11.577 13.562 1.00 0.00 N ATOM 0 H LYS A 42 1.353 6.751 9.420 1.00 0.00 H new ATOM 0 HA LYS A 42 3.256 6.961 11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.239 6.987 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.417 7.812 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.003 9.049 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.373 8.563 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.098 10.697 11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.360 9.585 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.998 9.745 13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.336 10.968 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.595 11.697 14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.908 12.478 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.029 11.286 13.878 1.00 0.00 H new ATOM 611 N ARG A 43 2.860 4.932 12.982 1.00 0.00 N ATOM 612 CA ARG A 43 2.784 3.653 13.678 1.00 0.00 C ATOM 613 C ARG A 43 1.368 3.390 14.180 1.00 0.00 C ATOM 614 O ARG A 43 0.995 2.248 14.450 1.00 0.00 O ATOM 615 CB ARG A 43 3.766 3.626 14.851 1.00 0.00 C ATOM 616 CG ARG A 43 3.272 4.378 16.075 1.00 0.00 C ATOM 617 CD ARG A 43 2.501 3.465 17.016 1.00 0.00 C ATOM 618 NE ARG A 43 1.832 4.213 18.078 1.00 0.00 N ATOM 619 CZ ARG A 43 1.399 3.659 19.205 1.00 0.00 C ATOM 620 NH1 ARG A 43 1.564 2.361 19.417 1.00 0.00 N ATOM 621 NH2 ARG A 43 0.799 4.405 20.124 1.00 0.00 N ATOM 0 H ARG A 43 3.534 5.588 13.377 1.00 0.00 H new ATOM 0 HA ARG A 43 3.052 2.868 12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.962 2.590 15.126 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.715 4.055 14.530 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.120 4.814 16.603 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.633 5.204 15.763 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.761 2.901 16.448 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.184 2.740 17.458 1.00 0.00 H new ATOM 0 HE ARG A 43 1.690 5.214 17.947 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.025 1.784 18.713 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.230 1.939 20.284 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.670 5.404 19.965 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.467 3.979 20.989 1.00 0.00 H new ATOM 635 N HIS A 44 0.583 4.456 14.305 1.00 0.00 N ATOM 636 CA HIS A 44 -0.793 4.341 14.775 1.00 0.00 C ATOM 637 C HIS A 44 -1.776 4.474 13.616 1.00 0.00 C ATOM 638 O HIS A 44 -2.992 4.433 13.810 1.00 0.00 O ATOM 639 CB HIS A 44 -1.084 5.408 15.831 1.00 0.00 C ATOM 640 CG HIS A 44 -1.086 6.803 15.287 1.00 0.00 C ATOM 641 ND1 HIS A 44 -0.295 7.811 15.798 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.788 7.357 14.271 1.00 0.00 C ATOM 643 CE1 HIS A 44 -0.512 8.924 15.120 1.00 0.00 C ATOM 644 NE2 HIS A 44 -1.413 8.675 14.187 1.00 0.00 N ATOM 0 H HIS A 44 0.876 5.408 14.087 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.917 3.355 15.222 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.053 5.203 16.286 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.339 5.337 16.623 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.356 7.712 16.577 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.509 6.855 13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.034 9.876 15.298 1.00 0.00 H new ATOM 653 N THR A 45 -1.243 4.633 12.409 1.00 0.00 N ATOM 654 CA THR A 45 -2.073 4.774 11.219 1.00 0.00 C ATOM 655 C THR A 45 -2.304 3.426 10.547 1.00 0.00 C ATOM 656 O THR A 45 -1.374 2.650 10.320 1.00 0.00 O ATOM 657 CB THR A 45 -1.436 5.740 10.201 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.718 7.095 10.569 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.960 5.470 8.799 1.00 0.00 C ATOM 0 H THR A 45 -0.240 4.667 12.229 1.00 0.00 H new ATOM 0 HA THR A 45 -3.029 5.182 11.547 1.00 0.00 H new ATOM 0 HB THR A 45 -0.358 5.580 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.601 7.677 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.497 6.164 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.718 4.447 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.041 5.606 8.782 1.00 0.00 H new ATOM 667 N PRO A 46 -3.572 3.137 10.219 1.00 0.00 N ATOM 668 CA PRO A 46 -3.954 1.881 9.566 1.00 0.00 C ATOM 669 C PRO A 46 -3.460 1.802 8.126 1.00 0.00 C ATOM 670 O PRO A 46 -3.629 2.743 7.348 1.00 0.00 O ATOM 671 CB PRO A 46 -5.484 1.912 9.606 1.00 0.00 C ATOM 672 CG PRO A 46 -5.832 3.359 9.673 1.00 0.00 C ATOM 673 CD PRO A 46 -4.730 4.014 10.459 1.00 0.00 C ATOM 0 HA PRO A 46 -3.518 1.014 10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.913 1.442 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.868 1.372 10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.908 3.789 8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.797 3.506 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.542 5.031 10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.975 4.075 11.519 1.00 0.00 H new ATOM 681 N LEU A 47 -2.849 0.676 7.775 1.00 0.00 N ATOM 682 CA LEU A 47 -2.331 0.474 6.426 1.00 0.00 C ATOM 683 C LEU A 47 -3.361 0.887 5.380 1.00 0.00 C ATOM 684 O LEU A 47 -3.017 1.155 4.229 1.00 0.00 O ATOM 685 CB LEU A 47 -1.938 -0.990 6.223 1.00 0.00 C ATOM 686 CG LEU A 47 -1.027 -1.596 7.292 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.860 -3.090 7.066 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.326 -0.900 7.295 1.00 0.00 C ATOM 0 H LEU A 47 -2.700 -0.112 8.406 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.447 1.100 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.849 -1.586 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.441 -1.081 5.257 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.492 -1.447 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.209 -3.504 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.834 -3.576 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.417 -3.262 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.962 -1.344 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.798 -1.018 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.189 0.161 7.506 1.00 0.00 H new ATOM 700 N SER A 48 -4.624 0.937 5.788 1.00 0.00 N ATOM 701 CA SER A 48 -5.705 1.315 4.885 1.00 0.00 C ATOM 702 C SER A 48 -5.233 2.363 3.882 1.00 0.00 C ATOM 703 O SER A 48 -5.360 2.183 2.671 1.00 0.00 O ATOM 704 CB SER A 48 -6.897 1.853 5.680 1.00 0.00 C ATOM 705 OG SER A 48 -6.531 2.993 6.438 1.00 0.00 O ATOM 0 H SER A 48 -4.925 0.721 6.738 1.00 0.00 H new ATOM 0 HA SER A 48 -6.015 0.426 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.707 2.111 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.275 1.076 6.345 1.00 0.00 H new ATOM 0 HG SER A 48 -5.646 2.852 6.835 1.00 0.00 H new ATOM 711 N LYS A 49 -4.688 3.461 4.396 1.00 0.00 N ATOM 712 CA LYS A 49 -4.195 4.539 3.547 1.00 0.00 C ATOM 713 C LYS A 49 -3.007 4.074 2.711 1.00 0.00 C ATOM 714 O LYS A 49 -2.947 4.325 1.506 1.00 0.00 O ATOM 715 CB LYS A 49 -3.790 5.743 4.401 1.00 0.00 C ATOM 716 CG LYS A 49 -4.967 6.580 4.870 1.00 0.00 C ATOM 717 CD LYS A 49 -4.562 7.545 5.971 1.00 0.00 C ATOM 718 CE LYS A 49 -5.728 8.423 6.400 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.487 9.058 7.725 1.00 0.00 N ATOM 0 H LYS A 49 -4.577 3.627 5.396 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.999 4.833 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.236 5.391 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.112 6.374 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.376 7.138 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.759 5.925 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.192 6.984 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.742 8.172 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.894 9.197 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.637 7.823 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.304 9.648 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.354 8.319 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.634 9.651 7.676 1.00 0.00 H new ATOM 733 N LEU A 50 -2.065 3.395 3.355 1.00 0.00 N ATOM 734 CA LEU A 50 -0.880 2.892 2.670 1.00 0.00 C ATOM 735 C LEU A 50 -1.266 2.061 1.451 1.00 0.00 C ATOM 736 O LEU A 50 -0.868 2.366 0.327 1.00 0.00 O ATOM 737 CB LEU A 50 -0.031 2.052 3.626 1.00 0.00 C ATOM 738 CG LEU A 50 0.782 0.925 2.988 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.605 1.454 1.823 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.682 0.265 4.023 1.00 0.00 C ATOM 0 H LEU A 50 -2.099 3.180 4.351 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.296 3.748 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.656 2.717 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.689 1.617 4.378 1.00 0.00 H new ATOM 0 HG LEU A 50 0.090 0.175 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.177 0.638 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.940 1.879 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.288 2.224 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.253 -0.535 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.367 1.006 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.071 -0.150 4.825 1.00 0.00 H new ATOM 752 N MET A 51 -2.047 1.010 1.682 1.00 0.00 N ATOM 753 CA MET A 51 -2.491 0.136 0.602 1.00 0.00 C ATOM 754 C MET A 51 -3.141 0.943 -0.518 1.00 0.00 C ATOM 755 O MET A 51 -2.776 0.811 -1.686 1.00 0.00 O ATOM 756 CB MET A 51 -3.475 -0.907 1.133 1.00 0.00 C ATOM 757 CG MET A 51 -2.929 -1.722 2.294 1.00 0.00 C ATOM 758 SD MET A 51 -4.223 -2.279 3.420 1.00 0.00 S ATOM 759 CE MET A 51 -3.583 -3.880 3.906 1.00 0.00 C ATOM 0 H MET A 51 -2.385 0.743 2.607 1.00 0.00 H new ATOM 0 HA MET A 51 -1.616 -0.374 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.388 -0.404 1.451 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.748 -1.582 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.394 -2.588 1.905 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.206 -1.122 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.179 -4.666 3.442 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.546 -3.971 3.582 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.634 -3.978 4.990 1.00 0.00 H new ATOM 769 N LYS A 52 -4.108 1.779 -0.154 1.00 0.00 N ATOM 770 CA LYS A 52 -4.809 2.608 -1.126 1.00 0.00 C ATOM 771 C LYS A 52 -3.824 3.423 -1.958 1.00 0.00 C ATOM 772 O LYS A 52 -4.064 3.692 -3.134 1.00 0.00 O ATOM 773 CB LYS A 52 -5.790 3.544 -0.416 1.00 0.00 C ATOM 774 CG LYS A 52 -7.041 2.846 0.088 1.00 0.00 C ATOM 775 CD LYS A 52 -8.237 3.783 0.097 1.00 0.00 C ATOM 776 CE LYS A 52 -8.911 3.840 -1.265 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.974 2.807 -1.402 1.00 0.00 N ATOM 0 H LYS A 52 -4.424 1.900 0.808 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.364 1.949 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.284 4.016 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.080 4.340 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.257 1.984 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.867 2.467 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.956 3.450 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.915 4.783 0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.344 4.829 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.164 3.698 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.409 2.879 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.557 1.862 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.700 2.957 -0.673 1.00 0.00 H new ATOM 791 N ALA A 53 -2.714 3.812 -1.339 1.00 0.00 N ATOM 792 CA ALA A 53 -1.691 4.593 -2.023 1.00 0.00 C ATOM 793 C ALA A 53 -0.818 3.704 -2.902 1.00 0.00 C ATOM 794 O ALA A 53 -0.231 4.166 -3.881 1.00 0.00 O ATOM 795 CB ALA A 53 -0.836 5.343 -1.013 1.00 0.00 C ATOM 0 H ALA A 53 -2.500 3.599 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.191 5.316 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.076 5.922 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.466 6.015 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.352 4.630 -0.345 1.00 0.00 H new ATOM 801 N TYR A 54 -0.736 2.426 -2.546 1.00 0.00 N ATOM 802 CA TYR A 54 0.068 1.473 -3.301 1.00 0.00 C ATOM 803 C TYR A 54 -0.676 0.997 -4.545 1.00 0.00 C ATOM 804 O TYR A 54 -0.074 0.784 -5.598 1.00 0.00 O ATOM 805 CB TYR A 54 0.434 0.275 -2.423 1.00 0.00 C ATOM 806 CG TYR A 54 1.253 -0.774 -3.141 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.638 -1.787 -3.866 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.641 -0.753 -3.094 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.381 -2.748 -4.523 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.393 -1.709 -3.749 1.00 0.00 C ATOM 811 CZ TYR A 54 2.759 -2.705 -4.462 1.00 0.00 C ATOM 812 OH TYR A 54 3.504 -3.660 -5.115 1.00 0.00 O ATOM 0 H TYR A 54 -1.217 2.027 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 54 0.981 1.977 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.991 0.628 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.481 -0.184 -2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.440 -1.824 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.141 0.024 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.886 -3.529 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.472 -1.677 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 54 4.458 -3.485 -4.972 1.00 0.00 H new ATOM 822 N CYS A 55 -1.988 0.834 -4.416 1.00 0.00 N ATOM 823 CA CYS A 55 -2.816 0.383 -5.529 1.00 0.00 C ATOM 824 C CYS A 55 -3.029 1.507 -6.538 1.00 0.00 C ATOM 825 O CYS A 55 -3.095 1.267 -7.743 1.00 0.00 O ATOM 826 CB CYS A 55 -4.166 -0.120 -5.016 1.00 0.00 C ATOM 827 SG CYS A 55 -5.283 1.191 -4.468 1.00 0.00 S ATOM 0 H CYS A 55 -2.501 1.007 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.297 -0.435 -6.028 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.653 -0.691 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.995 -0.806 -4.187 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.588 2.190 -4.011 1.00 0.00 H new ATOM 833 N GLU A 56 -3.137 2.733 -6.036 1.00 0.00 N ATOM 834 CA GLU A 56 -3.345 3.894 -6.894 1.00 0.00 C ATOM 835 C GLU A 56 -2.055 4.275 -7.615 1.00 0.00 C ATOM 836 O GLU A 56 -2.069 4.610 -8.800 1.00 0.00 O ATOM 837 CB GLU A 56 -3.853 5.080 -6.072 1.00 0.00 C ATOM 838 CG GLU A 56 -2.744 5.878 -5.406 1.00 0.00 C ATOM 839 CD GLU A 56 -3.270 6.863 -4.381 1.00 0.00 C ATOM 840 OE1 GLU A 56 -4.196 6.498 -3.626 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.756 8.000 -4.333 1.00 0.00 O ATOM 0 H GLU A 56 -3.084 2.948 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.095 3.632 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.426 5.742 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.537 4.714 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.048 5.192 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.182 6.418 -6.168 1.00 0.00 H new ATOM 848 N ARG A 57 -0.942 4.224 -6.891 1.00 0.00 N ATOM 849 CA ARG A 57 0.356 4.566 -7.460 1.00 0.00 C ATOM 850 C ARG A 57 0.582 3.832 -8.779 1.00 0.00 C ATOM 851 O ARG A 57 0.964 4.439 -9.779 1.00 0.00 O ATOM 852 CB ARG A 57 1.475 4.222 -6.475 1.00 0.00 C ATOM 853 CG ARG A 57 2.859 4.214 -7.104 1.00 0.00 C ATOM 854 CD ARG A 57 3.894 3.615 -6.165 1.00 0.00 C ATOM 855 NE ARG A 57 4.431 4.607 -5.237 1.00 0.00 N ATOM 856 CZ ARG A 57 5.223 5.607 -5.608 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.570 5.746 -6.880 1.00 0.00 N ATOM 858 NH2 ARG A 57 5.671 6.470 -4.705 1.00 0.00 N ATOM 0 H ARG A 57 -0.913 3.949 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 57 0.368 5.639 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.461 4.942 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.277 3.242 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.835 3.643 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.148 5.232 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.443 2.799 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.709 3.187 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 57 4.184 4.528 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.229 5.084 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.178 6.515 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.407 6.366 -3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.279 7.237 -4.991 1.00 0.00 H new ATOM 872 N GLN A 58 0.343 2.525 -8.772 1.00 0.00 N ATOM 873 CA GLN A 58 0.522 1.709 -9.967 1.00 0.00 C ATOM 874 C GLN A 58 -0.744 1.706 -10.818 1.00 0.00 C ATOM 875 O GLN A 58 -0.686 1.880 -12.035 1.00 0.00 O ATOM 876 CB GLN A 58 0.895 0.277 -9.582 1.00 0.00 C ATOM 877 CG GLN A 58 2.149 0.184 -8.727 1.00 0.00 C ATOM 878 CD GLN A 58 3.347 0.851 -9.373 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.439 0.937 -10.598 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.273 1.330 -8.551 1.00 0.00 N ATOM 0 H GLN A 58 0.025 2.008 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 58 1.332 2.142 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.063 -0.174 -9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.040 -0.308 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.959 0.647 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.379 -0.865 -8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.157 1.237 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.101 1.791 -8.929 1.00 0.00 H new ATOM 889 N GLY A 59 -1.887 1.507 -10.169 1.00 0.00 N ATOM 890 CA GLY A 59 -3.151 1.484 -10.882 1.00 0.00 C ATOM 891 C GLY A 59 -3.794 0.111 -10.879 1.00 0.00 C ATOM 892 O GLY A 59 -4.532 -0.239 -11.800 1.00 0.00 O ATOM 0 H GLY A 59 -1.960 1.361 -9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.834 2.202 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.990 1.804 -11.911 1.00 0.00 H new ATOM 896 N LEU A 60 -3.512 -0.670 -9.842 1.00 0.00 N ATOM 897 CA LEU A 60 -4.067 -2.013 -9.723 1.00 0.00 C ATOM 898 C LEU A 60 -5.240 -2.034 -8.748 1.00 0.00 C ATOM 899 O LEU A 60 -5.523 -1.039 -8.080 1.00 0.00 O ATOM 900 CB LEU A 60 -2.988 -2.993 -9.260 1.00 0.00 C ATOM 901 CG LEU A 60 -1.600 -2.802 -9.874 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.521 -3.274 -8.911 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.497 -3.544 -11.199 1.00 0.00 C ATOM 0 H LEU A 60 -2.902 -0.396 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.429 -2.317 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.898 -2.917 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.325 -4.005 -9.482 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.450 -1.739 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.460 -3.131 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.581 -2.699 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.667 -4.331 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.503 -3.397 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.668 -4.608 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.246 -3.159 -11.891 1.00 0.00 H new ATOM 915 N SER A 61 -5.919 -3.174 -8.670 1.00 0.00 N ATOM 916 CA SER A 61 -7.062 -3.324 -7.777 1.00 0.00 C ATOM 917 C SER A 61 -6.643 -3.969 -6.460 1.00 0.00 C ATOM 918 O SER A 61 -5.741 -4.807 -6.426 1.00 0.00 O ATOM 919 CB SER A 61 -8.151 -4.164 -8.446 1.00 0.00 C ATOM 920 OG SER A 61 -9.350 -4.142 -7.690 1.00 0.00 O ATOM 0 H SER A 61 -5.697 -4.007 -9.215 1.00 0.00 H new ATOM 0 HA SER A 61 -7.458 -2.331 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.343 -3.783 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.806 -5.192 -8.556 1.00 0.00 H new ATOM 0 HG SER A 61 -10.030 -4.685 -8.140 1.00 0.00 H new ATOM 926 N MET A 62 -7.303 -3.573 -5.377 1.00 0.00 N ATOM 927 CA MET A 62 -7.000 -4.114 -4.057 1.00 0.00 C ATOM 928 C MET A 62 -7.192 -5.627 -4.032 1.00 0.00 C ATOM 929 O MET A 62 -6.378 -6.355 -3.464 1.00 0.00 O ATOM 930 CB MET A 62 -7.888 -3.458 -2.998 1.00 0.00 C ATOM 931 CG MET A 62 -7.512 -2.016 -2.698 1.00 0.00 C ATOM 932 SD MET A 62 -5.786 -1.835 -2.210 1.00 0.00 S ATOM 933 CE MET A 62 -5.959 -0.901 -0.692 1.00 0.00 C ATOM 0 H MET A 62 -8.051 -2.880 -5.387 1.00 0.00 H new ATOM 0 HA MET A 62 -5.956 -3.895 -3.833 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.925 -3.492 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.831 -4.039 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.702 -1.404 -3.580 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.152 -1.636 -1.902 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.207 -0.112 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.953 -0.457 -0.649 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.822 -1.565 0.161 1.00 0.00 H new ATOM 943 N ARG A 63 -8.272 -6.092 -4.651 1.00 0.00 N ATOM 944 CA ARG A 63 -8.570 -7.518 -4.698 1.00 0.00 C ATOM 945 C ARG A 63 -7.541 -8.262 -5.545 1.00 0.00 C ATOM 946 O ARG A 63 -7.254 -9.434 -5.302 1.00 0.00 O ATOM 947 CB ARG A 63 -9.973 -7.749 -5.262 1.00 0.00 C ATOM 948 CG ARG A 63 -10.035 -7.699 -6.780 1.00 0.00 C ATOM 949 CD ARG A 63 -9.804 -9.071 -7.393 1.00 0.00 C ATOM 950 NE ARG A 63 -11.050 -9.814 -7.559 1.00 0.00 N ATOM 951 CZ ARG A 63 -11.113 -11.040 -8.066 1.00 0.00 C ATOM 952 NH1 ARG A 63 -10.006 -11.658 -8.455 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.285 -11.651 -8.186 1.00 0.00 N ATOM 0 H ARG A 63 -8.955 -5.502 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.526 -7.906 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.336 -8.719 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.648 -6.996 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.007 -7.319 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.285 -7.002 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.318 -8.958 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.124 -9.641 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.920 -9.367 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.103 -11.192 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.057 -12.600 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.139 -11.179 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.332 -12.593 -8.576 1.00 0.00 H new ATOM 967 N GLN A 64 -6.991 -7.572 -6.538 1.00 0.00 N ATOM 968 CA GLN A 64 -5.995 -8.167 -7.421 1.00 0.00 C ATOM 969 C GLN A 64 -4.680 -8.395 -6.684 1.00 0.00 C ATOM 970 O GLN A 64 -4.008 -9.406 -6.890 1.00 0.00 O ATOM 971 CB GLN A 64 -5.762 -7.272 -8.640 1.00 0.00 C ATOM 972 CG GLN A 64 -6.823 -7.423 -9.718 1.00 0.00 C ATOM 973 CD GLN A 64 -6.628 -6.456 -10.869 1.00 0.00 C ATOM 974 OE1 GLN A 64 -6.805 -5.248 -10.716 1.00 0.00 O ATOM 975 NE2 GLN A 64 -6.260 -6.985 -12.030 1.00 0.00 N ATOM 0 H GLN A 64 -7.218 -6.601 -6.752 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.375 -9.132 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.731 -6.232 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.786 -7.502 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.805 -8.444 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.808 -7.264 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.125 -7.993 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.113 -6.384 -12.841 1.00 0.00 H new ATOM 984 N ILE A 65 -4.318 -7.448 -5.825 1.00 0.00 N ATOM 985 CA ILE A 65 -3.083 -7.546 -5.056 1.00 0.00 C ATOM 986 C ILE A 65 -3.363 -7.960 -3.616 1.00 0.00 C ATOM 987 O ILE A 65 -4.477 -7.795 -3.117 1.00 0.00 O ATOM 988 CB ILE A 65 -2.313 -6.212 -5.055 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.158 -5.111 -4.410 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.922 -5.824 -6.473 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.368 -3.871 -4.057 1.00 0.00 C ATOM 0 H ILE A 65 -4.862 -6.604 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.471 -8.309 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.402 -6.336 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.964 -4.837 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.624 -5.504 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.379 -4.879 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.287 -6.600 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.820 -5.715 -7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.031 -3.134 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.579 -4.131 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.924 -3.453 -4.960 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.345 -8.495 -2.951 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.482 -8.932 -1.566 1.00 0.00 C ATOM 1005 C ARG A 66 -1.256 -8.536 -0.748 1.00 0.00 C ATOM 1006 O ARG A 66 -0.122 -8.821 -1.131 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.681 -10.447 -1.505 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.057 -10.900 -1.964 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.051 -10.917 -0.813 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.263 -11.660 -1.148 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.195 -11.208 -1.981 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.053 -10.024 -2.561 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.271 -11.942 -2.236 1.00 0.00 N ATOM 0 H ARG A 66 -1.416 -8.637 -3.348 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.356 -8.440 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.924 -10.929 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.519 -10.785 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.418 -10.234 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.986 -11.897 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.583 -11.364 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.315 -9.894 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.402 -12.575 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.227 -9.458 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.770 -9.680 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.383 -12.854 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.986 -11.594 -2.875 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.493 -7.876 0.381 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.409 -7.439 1.253 1.00 0.00 C ATOM 1029 C PHE A 67 -0.086 -8.505 2.295 1.00 0.00 C ATOM 1030 O PHE A 67 -0.966 -9.246 2.735 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.782 -6.128 1.948 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.049 -4.998 0.994 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.284 -4.871 0.378 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.065 -4.064 0.713 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.532 -3.833 -0.500 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.307 -3.024 -0.165 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.542 -2.908 -0.771 1.00 0.00 C ATOM 0 H PHE A 67 -2.426 -7.632 0.713 1.00 0.00 H new ATOM 0 HA PHE A 67 0.476 -7.277 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.667 -6.291 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.025 -5.841 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.061 -5.591 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.902 -4.149 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.499 -3.745 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.469 -2.303 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.734 -2.095 -1.456 1.00 0.00 H new ATOM 1047 N ARG A 68 1.183 -8.578 2.685 1.00 0.00 N ATOM 1048 CA ARG A 68 1.623 -9.555 3.673 1.00 0.00 C ATOM 1049 C ARG A 68 2.815 -9.026 4.466 1.00 0.00 C ATOM 1050 O ARG A 68 3.559 -8.168 3.991 1.00 0.00 O ATOM 1051 CB ARG A 68 1.996 -10.872 2.990 1.00 0.00 C ATOM 1052 CG ARG A 68 0.795 -11.674 2.517 1.00 0.00 C ATOM 1053 CD ARG A 68 1.174 -13.113 2.205 1.00 0.00 C ATOM 1054 NE ARG A 68 0.089 -13.834 1.545 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.156 -15.118 1.211 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.250 -15.819 1.475 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.873 -15.704 0.612 1.00 0.00 N ATOM 0 H ARG A 68 1.924 -7.972 2.332 1.00 0.00 H new ATOM 0 HA ARG A 68 0.798 -9.733 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.639 -10.659 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.577 -11.479 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.021 -11.659 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.372 -11.207 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.058 -13.125 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.441 -13.626 3.129 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.767 -13.324 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.043 -15.373 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.299 -16.805 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.717 -15.168 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.820 -16.690 0.356 1.00 0.00 H new ATOM 1071 N PHE A 69 2.990 -9.544 5.678 1.00 0.00 N ATOM 1072 CA PHE A 69 4.090 -9.123 6.538 1.00 0.00 C ATOM 1073 C PHE A 69 4.600 -10.290 7.378 1.00 0.00 C ATOM 1074 O PHE A 69 3.929 -10.740 8.307 1.00 0.00 O ATOM 1075 CB PHE A 69 3.643 -7.979 7.450 1.00 0.00 C ATOM 1076 CG PHE A 69 4.750 -7.418 8.296 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.725 -6.608 7.736 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.818 -7.702 9.650 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.746 -6.091 8.510 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.835 -7.187 10.430 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.801 -6.381 9.859 1.00 0.00 C ATOM 0 H PHE A 69 2.384 -10.256 6.086 1.00 0.00 H new ATOM 0 HA PHE A 69 4.903 -8.774 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.224 -7.180 6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.844 -8.335 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.686 -6.378 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.067 -8.334 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.500 -5.461 8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.875 -7.414 11.485 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.598 -5.978 10.467 1.00 0.00 H new ATOM 1091 N ASP A 70 5.791 -10.775 7.045 1.00 0.00 N ATOM 1092 CA ASP A 70 6.393 -11.889 7.768 1.00 0.00 C ATOM 1093 C ASP A 70 5.685 -13.198 7.435 1.00 0.00 C ATOM 1094 O ASP A 70 5.680 -14.133 8.234 1.00 0.00 O ATOM 1095 CB ASP A 70 6.339 -11.634 9.275 1.00 0.00 C ATOM 1096 CG ASP A 70 7.431 -12.371 10.026 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.607 -12.262 9.620 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.109 -13.055 11.019 1.00 0.00 O ATOM 0 H ASP A 70 6.359 -10.414 6.279 1.00 0.00 H new ATOM 0 HA ASP A 70 7.435 -11.972 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.431 -10.564 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.366 -11.943 9.658 1.00 0.00 H new ATOM 1103 N GLY A 71 5.088 -13.258 6.249 1.00 0.00 N ATOM 1104 CA GLY A 71 4.384 -14.456 5.831 1.00 0.00 C ATOM 1105 C GLY A 71 3.013 -14.575 6.467 1.00 0.00 C ATOM 1106 O GLY A 71 2.562 -15.676 6.781 1.00 0.00 O ATOM 0 H GLY A 71 5.079 -12.497 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.279 -14.452 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.979 -15.332 6.090 1.00 0.00 H new ATOM 1110 N GLN A 72 2.351 -13.439 6.660 1.00 0.00 N ATOM 1111 CA GLN A 72 1.025 -13.421 7.265 1.00 0.00 C ATOM 1112 C GLN A 72 0.127 -12.398 6.578 1.00 0.00 C ATOM 1113 O GLN A 72 0.565 -11.319 6.179 1.00 0.00 O ATOM 1114 CB GLN A 72 1.127 -13.106 8.758 1.00 0.00 C ATOM 1115 CG GLN A 72 1.615 -14.277 9.595 1.00 0.00 C ATOM 1116 CD GLN A 72 1.206 -14.165 11.051 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.104 -14.565 11.430 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.093 -13.621 11.875 1.00 0.00 N ATOM 0 H GLN A 72 2.711 -12.519 6.406 1.00 0.00 H new ATOM 0 HA GLN A 72 0.582 -14.409 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.804 -12.263 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.149 -12.793 9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.219 -15.204 9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.701 -14.337 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.994 -13.303 11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.874 -13.521 12.866 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.162 -12.744 6.434 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.149 -11.869 5.795 1.00 0.00 C ATOM 1129 C PRO A 73 -2.470 -10.642 6.641 1.00 0.00 C ATOM 1130 O PRO A 73 -2.933 -10.763 7.775 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.383 -12.765 5.661 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.232 -13.780 6.740 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.754 -14.014 6.885 1.00 0.00 C ATOM 0 HA PRO A 73 -1.788 -11.472 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.303 -12.193 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.426 -13.235 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.664 -13.423 7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.750 -14.704 6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.482 -14.240 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.418 -14.853 6.275 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.223 -9.462 6.082 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.488 -8.213 6.785 1.00 0.00 C ATOM 1143 C ILE A 74 -3.730 -7.523 6.232 1.00 0.00 C ATOM 1144 O ILE A 74 -3.997 -7.572 5.032 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.292 -7.248 6.688 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.720 -7.250 5.269 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.219 -7.629 7.698 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.358 -6.212 5.050 1.00 0.00 C ATOM 0 H ILE A 74 -1.840 -9.345 5.144 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.654 -8.469 7.831 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.639 -6.241 6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.312 -8.237 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.529 -7.077 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.619 -6.937 7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.633 -7.580 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.126 -8.643 7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.717 -6.271 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.051 -5.219 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.186 -6.397 5.735 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.485 -6.879 7.116 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.699 -6.177 6.715 1.00 0.00 C ATOM 1162 C ASN A 75 -5.570 -4.678 6.970 1.00 0.00 C ATOM 1163 O ASN A 75 -4.912 -4.255 7.920 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.907 -6.732 7.473 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.064 -8.230 7.292 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.517 -8.697 6.247 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.690 -8.991 8.314 1.00 0.00 N ATOM 0 H ASN A 75 -4.278 -6.829 8.114 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.844 -6.335 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.802 -6.506 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.811 -6.230 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.773 -10.006 8.251 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.320 -8.561 9.161 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.204 -3.882 6.115 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.160 -2.430 6.248 1.00 0.00 C ATOM 1176 C GLU A 76 -6.497 -2.004 7.674 1.00 0.00 C ATOM 1177 O GLU A 76 -5.862 -1.110 8.234 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.132 -1.776 5.264 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.518 -2.397 5.274 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.477 -1.701 4.328 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.374 -1.928 3.105 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.330 -0.928 4.812 1.00 0.00 O ATOM 0 H GLU A 76 -6.754 -4.217 5.324 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.147 -2.100 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.217 -0.715 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.719 -1.846 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.442 -3.449 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.921 -2.360 6.286 1.00 0.00 H new ATOM 1189 N THR A 77 -7.503 -2.650 8.256 1.00 0.00 N ATOM 1190 CA THR A 77 -7.927 -2.337 9.615 1.00 0.00 C ATOM 1191 C THR A 77 -6.760 -2.431 10.590 1.00 0.00 C ATOM 1192 O THR A 77 -6.600 -1.580 11.466 1.00 0.00 O ATOM 1193 CB THR A 77 -9.050 -3.282 10.084 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.573 -4.631 10.118 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.256 -3.188 9.161 1.00 0.00 C ATOM 0 H THR A 77 -8.039 -3.393 7.807 1.00 0.00 H new ATOM 0 HA THR A 77 -8.304 -1.314 9.601 1.00 0.00 H new ATOM 0 HB THR A 77 -9.354 -2.980 11.086 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.292 -5.225 10.419 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.036 -3.864 9.512 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.635 -2.166 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.962 -3.467 8.149 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.945 -3.469 10.433 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.790 -3.672 11.300 1.00 0.00 C ATOM 1205 C ASP A 78 -3.792 -2.528 11.152 1.00 0.00 C ATOM 1206 O ASP A 78 -3.622 -1.974 10.065 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.111 -5.004 10.977 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.768 -6.174 11.682 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.958 -6.060 12.041 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.090 -7.206 11.874 1.00 0.00 O ATOM 0 H ASP A 78 -6.063 -4.182 9.714 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.140 -3.693 12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.138 -5.171 9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.061 -4.953 11.265 1.00 0.00 H new ATOM 1215 N THR A 79 -3.133 -2.178 12.252 1.00 0.00 N ATOM 1216 CA THR A 79 -2.153 -1.100 12.246 1.00 0.00 C ATOM 1217 C THR A 79 -0.731 -1.648 12.213 1.00 0.00 C ATOM 1218 O THR A 79 -0.479 -2.807 12.545 1.00 0.00 O ATOM 1219 CB THR A 79 -2.311 -0.189 13.478 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.821 -0.944 14.583 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.247 0.972 13.176 1.00 0.00 C ATOM 0 H THR A 79 -3.261 -2.626 13.159 1.00 0.00 H new ATOM 0 HA THR A 79 -2.335 -0.515 11.345 1.00 0.00 H new ATOM 0 HB THR A 79 -1.330 0.212 13.734 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.917 -0.358 15.363 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.343 1.601 14.061 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.842 1.561 12.353 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.227 0.586 12.897 1.00 0.00 H new ATOM 1229 N PRO A 80 0.223 -0.799 11.804 1.00 0.00 N ATOM 1230 CA PRO A 80 1.637 -1.177 11.720 1.00 0.00 C ATOM 1231 C PRO A 80 2.266 -1.377 13.095 1.00 0.00 C ATOM 1232 O PRO A 80 3.322 -1.997 13.220 1.00 0.00 O ATOM 1233 CB PRO A 80 2.280 0.013 11.005 1.00 0.00 C ATOM 1234 CG PRO A 80 1.384 1.165 11.304 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.005 0.597 11.393 1.00 0.00 C ATOM 0 HA PRO A 80 1.775 -2.127 11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.292 0.194 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.354 -0.163 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.669 1.648 12.239 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.447 1.922 10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.614 1.135 12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.525 0.655 10.437 1.00 0.00 H new ATOM 1243 N ALA A 81 1.611 -0.847 14.123 1.00 0.00 N ATOM 1244 CA ALA A 81 2.106 -0.970 15.488 1.00 0.00 C ATOM 1245 C ALA A 81 1.694 -2.303 16.104 1.00 0.00 C ATOM 1246 O ALA A 81 2.398 -2.848 16.953 1.00 0.00 O ATOM 1247 CB ALA A 81 1.600 0.186 16.339 1.00 0.00 C ATOM 0 H ALA A 81 0.737 -0.329 14.036 1.00 0.00 H new ATOM 0 HA ALA A 81 3.195 -0.935 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.977 0.081 17.356 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.950 1.128 15.917 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.510 0.177 16.354 1.00 0.00 H new ATOM 1253 N GLN A 82 0.549 -2.820 15.671 1.00 0.00 N ATOM 1254 CA GLN A 82 0.043 -4.089 16.182 1.00 0.00 C ATOM 1255 C GLN A 82 0.965 -5.239 15.791 1.00 0.00 C ATOM 1256 O GLN A 82 1.223 -6.141 16.590 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.369 -4.349 15.654 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.010 -5.604 16.224 1.00 0.00 C ATOM 1259 CD GLN A 82 -1.714 -6.839 15.396 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -0.739 -7.548 15.645 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -2.557 -7.102 14.404 1.00 0.00 N ATOM 0 H GLN A 82 -0.046 -2.381 14.968 1.00 0.00 H new ATOM 0 HA GLN A 82 0.010 -4.027 17.270 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.999 -3.491 15.888 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.332 -4.431 14.568 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.653 -5.760 17.242 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.089 -5.461 16.283 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.352 -6.486 14.234 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.409 -7.920 13.812 1.00 0.00 H new ATOM 1270 N LEU A 83 1.459 -5.203 14.558 1.00 0.00 N ATOM 1271 CA LEU A 83 2.352 -6.243 14.061 1.00 0.00 C ATOM 1272 C LEU A 83 3.795 -5.961 14.466 1.00 0.00 C ATOM 1273 O LEU A 83 4.714 -6.671 14.060 1.00 0.00 O ATOM 1274 CB LEU A 83 2.249 -6.346 12.538 1.00 0.00 C ATOM 1275 CG LEU A 83 0.846 -6.194 11.949 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.918 -5.637 10.535 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.114 -7.528 11.962 1.00 0.00 C ATOM 0 H LEU A 83 1.256 -4.465 13.884 1.00 0.00 H new ATOM 0 HA LEU A 83 2.048 -7.191 14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.891 -5.583 12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.647 -7.313 12.231 1.00 0.00 H new ATOM 0 HG LEU A 83 0.288 -5.490 12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.090 -5.536 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.402 -4.660 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.494 -6.315 9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.883 -7.400 11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.670 -8.254 11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.030 -7.887 12.988 1.00 0.00 H new ATOM 1289 N GLU A 84 3.986 -4.920 15.270 1.00 0.00 N ATOM 1290 CA GLU A 84 5.318 -4.545 15.731 1.00 0.00 C ATOM 1291 C GLU A 84 6.221 -4.191 14.554 1.00 0.00 C ATOM 1292 O GLU A 84 7.383 -4.595 14.505 1.00 0.00 O ATOM 1293 CB GLU A 84 5.941 -5.684 16.541 1.00 0.00 C ATOM 1294 CG GLU A 84 5.326 -5.857 17.920 1.00 0.00 C ATOM 1295 CD GLU A 84 6.012 -6.938 18.733 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.577 -7.869 18.123 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.984 -6.852 19.979 1.00 0.00 O ATOM 0 H GLU A 84 3.236 -4.321 15.616 1.00 0.00 H new ATOM 0 HA GLU A 84 5.220 -3.666 16.369 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.833 -6.615 15.985 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.010 -5.499 16.650 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.381 -4.912 18.460 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.269 -6.102 17.814 1.00 0.00 H new ATOM 1304 N MET A 85 5.679 -3.433 13.606 1.00 0.00 N ATOM 1305 CA MET A 85 6.436 -3.024 12.429 1.00 0.00 C ATOM 1306 C MET A 85 7.491 -1.985 12.795 1.00 0.00 C ATOM 1307 O MET A 85 7.168 -0.828 13.064 1.00 0.00 O ATOM 1308 CB MET A 85 5.495 -2.458 11.363 1.00 0.00 C ATOM 1309 CG MET A 85 4.424 -3.440 10.916 1.00 0.00 C ATOM 1310 SD MET A 85 3.559 -2.894 9.430 1.00 0.00 S ATOM 1311 CE MET A 85 4.012 -4.190 8.280 1.00 0.00 C ATOM 0 H MET A 85 4.719 -3.090 13.630 1.00 0.00 H new ATOM 0 HA MET A 85 6.941 -3.903 12.029 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.014 -1.561 11.754 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.082 -2.153 10.496 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.882 -4.411 10.729 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.703 -3.577 11.722 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.335 -4.172 7.426 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.034 -4.030 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.943 -5.158 8.777 1.00 0.00 H new ATOM 1321 N GLU A 86 8.752 -2.406 12.804 1.00 0.00 N ATOM 1322 CA GLU A 86 9.853 -1.510 13.139 1.00 0.00 C ATOM 1323 C GLU A 86 10.307 -0.724 11.912 1.00 0.00 C ATOM 1324 O GLU A 86 9.926 -1.038 10.784 1.00 0.00 O ATOM 1325 CB GLU A 86 11.028 -2.304 13.713 1.00 0.00 C ATOM 1326 CG GLU A 86 11.586 -3.344 12.755 1.00 0.00 C ATOM 1327 CD GLU A 86 12.659 -4.206 13.391 1.00 0.00 C ATOM 1328 OE1 GLU A 86 13.696 -3.651 13.810 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.462 -5.437 13.469 1.00 0.00 O ATOM 0 H GLU A 86 9.036 -3.360 12.584 1.00 0.00 H new ATOM 0 HA GLU A 86 9.499 -0.804 13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.824 -1.612 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.707 -2.801 14.629 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.775 -3.981 12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.999 -2.842 11.880 1.00 0.00 H new ATOM 1336 N ASP A 87 11.122 0.300 12.142 1.00 0.00 N ATOM 1337 CA ASP A 87 11.629 1.132 11.057 1.00 0.00 C ATOM 1338 C ASP A 87 12.461 0.305 10.081 1.00 0.00 C ATOM 1339 O ASP A 87 13.137 -0.644 10.477 1.00 0.00 O ATOM 1340 CB ASP A 87 12.468 2.281 11.616 1.00 0.00 C ATOM 1341 CG ASP A 87 12.519 3.471 10.678 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.963 3.298 9.524 1.00 0.00 O ATOM 1343 OD2 ASP A 87 12.115 4.576 11.099 1.00 0.00 O ATOM 0 H ASP A 87 11.445 0.574 13.070 1.00 0.00 H new ATOM 0 HA ASP A 87 10.775 1.545 10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.055 2.595 12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.482 1.928 11.806 1.00 0.00 H new ATOM 1348 N GLU A 88 12.406 0.673 8.805 1.00 0.00 N ATOM 1349 CA GLU A 88 13.153 -0.037 7.773 1.00 0.00 C ATOM 1350 C GLU A 88 12.606 -1.448 7.577 1.00 0.00 C ATOM 1351 O GLU A 88 13.360 -2.389 7.332 1.00 0.00 O ATOM 1352 CB GLU A 88 14.637 -0.101 8.141 1.00 0.00 C ATOM 1353 CG GLU A 88 15.230 1.247 8.519 1.00 0.00 C ATOM 1354 CD GLU A 88 16.608 1.125 9.138 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.701 0.650 10.289 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.594 1.504 8.471 1.00 0.00 O ATOM 0 H GLU A 88 11.853 1.458 8.461 1.00 0.00 H new ATOM 0 HA GLU A 88 13.040 0.511 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.766 -0.792 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.194 -0.510 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.289 1.876 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.564 1.749 9.221 1.00 0.00 H new ATOM 1363 N ASP A 89 11.289 -1.585 7.688 1.00 0.00 N ATOM 1364 CA ASP A 89 10.639 -2.880 7.523 1.00 0.00 C ATOM 1365 C ASP A 89 10.450 -3.208 6.045 1.00 0.00 C ATOM 1366 O ASP A 89 10.890 -2.461 5.170 1.00 0.00 O ATOM 1367 CB ASP A 89 9.286 -2.890 8.237 1.00 0.00 C ATOM 1368 CG ASP A 89 9.405 -3.285 9.696 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.543 -3.330 10.208 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.360 -3.548 10.326 1.00 0.00 O ATOM 0 H ASP A 89 10.651 -0.816 7.891 1.00 0.00 H new ATOM 0 HA ASP A 89 11.281 -3.641 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.834 -1.901 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.615 -3.583 7.729 1.00 0.00 H new ATOM 1375 N THR A 90 9.794 -4.332 5.773 1.00 0.00 N ATOM 1376 CA THR A 90 9.549 -4.761 4.402 1.00 0.00 C ATOM 1377 C THR A 90 8.155 -5.361 4.254 1.00 0.00 C ATOM 1378 O THR A 90 7.782 -6.275 4.989 1.00 0.00 O ATOM 1379 CB THR A 90 10.592 -5.797 3.942 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.905 -5.227 3.995 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.297 -6.272 2.528 1.00 0.00 C ATOM 0 H THR A 90 9.423 -4.962 6.485 1.00 0.00 H new ATOM 0 HA THR A 90 9.628 -3.873 3.775 1.00 0.00 H new ATOM 0 HB THR A 90 10.541 -6.654 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.562 -5.892 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.047 -7.003 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.309 -6.732 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.323 -5.422 1.846 1.00 0.00 H new ATOM 1389 N ILE A 91 7.391 -4.840 3.300 1.00 0.00 N ATOM 1390 CA ILE A 91 6.039 -5.326 3.055 1.00 0.00 C ATOM 1391 C ILE A 91 6.004 -6.278 1.864 1.00 0.00 C ATOM 1392 O ILE A 91 6.747 -6.107 0.898 1.00 0.00 O ATOM 1393 CB ILE A 91 5.061 -4.165 2.798 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.302 -3.035 3.802 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.623 -4.655 2.880 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.265 -1.936 3.735 1.00 0.00 C ATOM 0 H ILE A 91 7.685 -4.082 2.684 1.00 0.00 H new ATOM 0 HA ILE A 91 5.729 -5.860 3.953 1.00 0.00 H new ATOM 0 HB ILE A 91 5.236 -3.778 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.314 -3.451 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.287 -2.605 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.944 -3.822 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.459 -5.429 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.434 -5.065 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.499 -1.170 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.268 -1.493 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.280 -2.352 3.944 1.00 0.00 H new ATOM 1408 N ASP A 92 5.134 -7.279 1.939 1.00 0.00 N ATOM 1409 CA ASP A 92 4.999 -8.257 0.866 1.00 0.00 C ATOM 1410 C ASP A 92 3.718 -8.021 0.073 1.00 0.00 C ATOM 1411 O ASP A 92 2.619 -8.043 0.627 1.00 0.00 O ATOM 1412 CB ASP A 92 5.006 -9.677 1.437 1.00 0.00 C ATOM 1413 CG ASP A 92 6.394 -10.133 1.838 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.354 -9.833 1.098 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.522 -10.791 2.892 1.00 0.00 O ATOM 0 H ASP A 92 4.512 -7.435 2.732 1.00 0.00 H new ATOM 0 HA ASP A 92 5.848 -8.140 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.348 -9.720 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.601 -10.366 0.696 1.00 0.00 H new ATOM 1420 N VAL A 93 3.867 -7.792 -1.228 1.00 0.00 N ATOM 1421 CA VAL A 93 2.722 -7.551 -2.098 1.00 0.00 C ATOM 1422 C VAL A 93 2.915 -8.213 -3.457 1.00 0.00 C ATOM 1423 O VAL A 93 4.043 -8.389 -3.919 1.00 0.00 O ATOM 1424 CB VAL A 93 2.480 -6.044 -2.303 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.329 -5.814 -3.270 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.212 -5.361 -0.970 1.00 0.00 C ATOM 0 H VAL A 93 4.770 -7.768 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 93 1.853 -7.987 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 93 3.379 -5.605 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.173 -4.743 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.566 -6.268 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.422 -6.266 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.043 -4.297 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.329 -5.801 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.071 -5.495 -0.313 1.00 0.00 H new ATOM 1436 N PHE A 94 1.808 -8.578 -4.095 1.00 0.00 N ATOM 1437 CA PHE A 94 1.855 -9.222 -5.402 1.00 0.00 C ATOM 1438 C PHE A 94 1.279 -8.308 -6.480 1.00 0.00 C ATOM 1439 O PHE A 94 0.080 -8.030 -6.495 1.00 0.00 O ATOM 1440 CB PHE A 94 1.084 -10.543 -5.372 1.00 0.00 C ATOM 1441 CG PHE A 94 1.545 -11.482 -4.294 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.145 -11.299 -2.980 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.377 -12.548 -4.595 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.569 -12.161 -1.986 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.804 -13.413 -3.605 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.398 -13.220 -2.299 1.00 0.00 C ATOM 0 H PHE A 94 0.867 -8.439 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 94 2.899 -9.424 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.024 -10.333 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.185 -11.035 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.495 -10.474 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.696 -12.705 -5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.252 -12.006 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.454 -14.239 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.728 -13.896 -1.524 1.00 0.00 H new ATOM 1456 N GLN A 95 2.142 -7.844 -7.378 1.00 0.00 N ATOM 1457 CA GLN A 95 1.719 -6.961 -8.458 1.00 0.00 C ATOM 1458 C GLN A 95 1.331 -7.762 -9.696 1.00 0.00 C ATOM 1459 O GLN A 95 2.187 -8.343 -10.363 1.00 0.00 O ATOM 1460 CB GLN A 95 2.834 -5.973 -8.803 1.00 0.00 C ATOM 1461 CG GLN A 95 2.780 -4.687 -7.994 1.00 0.00 C ATOM 1462 CD GLN A 95 3.480 -3.533 -8.684 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.532 -3.469 -9.913 1.00 0.00 O ATOM 1464 NE2 GLN A 95 4.022 -2.612 -7.896 1.00 0.00 N ATOM 0 H GLN A 95 3.138 -8.065 -7.379 1.00 0.00 H new ATOM 0 HA GLN A 95 0.844 -6.406 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.798 -6.455 -8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.776 -5.728 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.739 -4.420 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.239 -4.856 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.955 -2.705 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.505 -1.812 -8.304 1.00 0.00 H new ATOM 1473 N GLN A 96 0.037 -7.787 -9.998 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.463 -8.519 -11.156 1.00 0.00 C ATOM 1475 C GLN A 96 -0.287 -7.702 -12.432 1.00 0.00 C ATOM 1476 O GLN A 96 -0.891 -6.641 -12.589 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.938 -8.875 -10.963 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.174 -9.929 -9.894 1.00 0.00 C ATOM 1479 CD GLN A 96 -1.897 -11.335 -10.390 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -2.651 -11.881 -11.195 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -0.811 -11.929 -9.909 1.00 0.00 N ATOM 0 H GLN A 96 -0.684 -7.309 -9.457 1.00 0.00 H new ATOM 0 HA GLN A 96 0.115 -9.438 -11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.490 -7.972 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.344 -9.232 -11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.537 -9.719 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.206 -9.866 -9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.214 -11.439 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.574 -12.876 -10.206 1.00 0.00 H new ATOM 1490 N GLN A 97 0.542 -8.204 -13.341 1.00 0.00 N ATOM 1491 CA GLN A 97 0.797 -7.520 -14.603 1.00 0.00 C ATOM 1492 C GLN A 97 -0.479 -7.409 -15.430 1.00 0.00 C ATOM 1493 O GLN A 97 -0.938 -8.388 -16.019 1.00 0.00 O ATOM 1494 CB GLN A 97 1.872 -8.260 -15.401 1.00 0.00 C ATOM 1495 CG GLN A 97 2.172 -7.628 -16.750 1.00 0.00 C ATOM 1496 CD GLN A 97 3.218 -8.395 -17.535 1.00 0.00 C ATOM 1497 OE1 GLN A 97 2.911 -9.034 -18.541 1.00 0.00 O ATOM 1498 NE2 GLN A 97 4.463 -8.336 -17.077 1.00 0.00 N ATOM 0 H GLN A 97 1.049 -9.082 -13.227 1.00 0.00 H new ATOM 0 HA GLN A 97 1.150 -6.514 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.789 -8.295 -14.813 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.553 -9.291 -15.555 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.253 -7.574 -17.334 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.515 -6.604 -16.599 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.673 -7.794 -16.239 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.209 -8.833 -17.563 1.00 0.00 H new ATOM 1507 N THR A 98 -1.051 -6.209 -15.469 1.00 0.00 N ATOM 1508 CA THR A 98 -2.275 -5.970 -16.221 1.00 0.00 C ATOM 1509 C THR A 98 -2.005 -5.957 -17.722 1.00 0.00 C ATOM 1510 O THR A 98 -1.655 -4.923 -18.290 1.00 0.00 O ATOM 1511 CB THR A 98 -2.931 -4.635 -15.818 1.00 0.00 C ATOM 1512 OG1 THR A 98 -1.969 -3.577 -15.886 1.00 0.00 O ATOM 1513 CG2 THR A 98 -3.504 -4.717 -14.411 1.00 0.00 C ATOM 0 H THR A 98 -0.685 -5.388 -14.988 1.00 0.00 H new ATOM 0 HA THR A 98 -2.956 -6.787 -15.984 1.00 0.00 H new ATOM 0 HB THR A 98 -3.745 -4.430 -16.513 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.530 -3.589 -16.762 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.962 -3.763 -14.148 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.257 -5.504 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.705 -4.942 -13.705 1.00 0.00 H new ATOM 1521 N SER A 99 -2.170 -7.112 -18.358 1.00 0.00 N ATOM 1522 CA SER A 99 -1.941 -7.234 -19.793 1.00 0.00 C ATOM 1523 C SER A 99 -3.241 -7.551 -20.526 1.00 0.00 C ATOM 1524 O SER A 99 -3.599 -8.715 -20.703 1.00 0.00 O ATOM 1525 CB SER A 99 -0.905 -8.324 -20.074 1.00 0.00 C ATOM 1526 OG SER A 99 -0.479 -8.286 -21.425 1.00 0.00 O ATOM 0 H SER A 99 -2.461 -7.977 -17.902 1.00 0.00 H new ATOM 0 HA SER A 99 -1.562 -6.279 -20.158 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.047 -8.193 -19.415 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.332 -9.302 -19.851 1.00 0.00 H new ATOM 0 HG SER A 99 0.184 -8.991 -21.579 1.00 0.00 H new ATOM 1532 N GLY A 100 -3.944 -6.506 -20.950 1.00 0.00 N ATOM 1533 CA GLY A 100 -5.197 -6.693 -21.659 1.00 0.00 C ATOM 1534 C GLY A 100 -6.085 -5.466 -21.600 1.00 0.00 C ATOM 1535 O GLY A 100 -5.863 -4.550 -20.807 1.00 0.00 O ATOM 0 H GLY A 100 -3.669 -5.533 -20.816 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.989 -6.937 -22.701 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.729 -7.544 -21.233 1.00 0.00 H new ATOM 1539 N PRO A 101 -7.117 -5.436 -22.456 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.062 -4.317 -22.518 1.00 0.00 C ATOM 1541 C PRO A 101 -8.956 -4.244 -21.285 1.00 0.00 C ATOM 1542 O PRO A 101 -8.862 -5.081 -20.388 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.895 -4.625 -23.765 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.807 -6.103 -23.923 1.00 0.00 C ATOM 1545 CD PRO A 101 -7.442 -6.493 -23.429 1.00 0.00 C ATOM 0 HA PRO A 101 -7.552 -3.354 -22.556 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.928 -4.301 -23.641 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.502 -4.109 -24.641 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.587 -6.604 -23.349 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.942 -6.393 -24.965 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.449 -7.479 -22.964 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.716 -6.529 -24.241 1.00 0.00 H new ATOM 1553 N SER A 102 -9.824 -3.238 -21.247 1.00 0.00 N ATOM 1554 CA SER A 102 -10.733 -3.054 -20.122 1.00 0.00 C ATOM 1555 C SER A 102 -9.964 -2.687 -18.857 1.00 0.00 C ATOM 1556 O SER A 102 -10.255 -3.191 -17.772 1.00 0.00 O ATOM 1557 CB SER A 102 -11.549 -4.326 -19.886 1.00 0.00 C ATOM 1558 OG SER A 102 -12.568 -4.107 -18.925 1.00 0.00 O ATOM 0 H SER A 102 -9.917 -2.538 -21.983 1.00 0.00 H new ATOM 0 HA SER A 102 -11.411 -2.236 -20.364 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.995 -4.655 -20.825 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.891 -5.126 -19.547 1.00 0.00 H new ATOM 0 HG SER A 102 -12.169 -3.772 -18.095 1.00 0.00 H new ATOM 1564 N SER A 103 -8.980 -1.806 -19.004 1.00 0.00 N ATOM 1565 CA SER A 103 -8.165 -1.373 -17.875 1.00 0.00 C ATOM 1566 C SER A 103 -8.573 0.023 -17.414 1.00 0.00 C ATOM 1567 O SER A 103 -7.964 1.019 -17.802 1.00 0.00 O ATOM 1568 CB SER A 103 -6.683 -1.385 -18.254 1.00 0.00 C ATOM 1569 OG SER A 103 -6.116 -2.669 -18.056 1.00 0.00 O ATOM 0 H SER A 103 -8.728 -1.378 -19.895 1.00 0.00 H new ATOM 0 HA SER A 103 -8.328 -2.070 -17.053 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.569 -1.091 -19.297 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.145 -0.650 -17.655 1.00 0.00 H new ATOM 0 HG SER A 103 -6.068 -3.141 -18.913 1.00 0.00 H new ATOM 1575 N GLY A 104 -9.608 0.086 -16.582 1.00 0.00 N ATOM 1576 CA GLY A 104 -10.081 1.363 -16.081 1.00 0.00 C ATOM 1577 C GLY A 104 -10.898 1.222 -14.813 1.00 0.00 C ATOM 1578 O GLY A 104 -11.754 2.058 -14.522 1.00 0.00 O ATOM 0 H GLY A 104 -10.127 -0.725 -16.246 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.227 2.013 -15.889 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.686 1.849 -16.847 1.00 0.00 H new TER 1582 GLY A 104