USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 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 31 SER OG : rot 166:sc= 0.0877 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.063 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 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 -104:sc= -0.059 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 66:sc= 0.572 USER MOD Single : A 17 GLN : amide:sc= -0.0535 K(o=-0.054,f=-0.8) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0293 K(o=-0.029,f=-2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -148:sc= 0.531 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc=-0.00103 (180deg=-0.0921) USER MOD Single : A 44 MET CE :methyl -127:sc= -5.4! (180deg=-12.7!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -0.329 (180deg=-1.37!) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= -0.157 (180deg=-0.624) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.1!) USER MOD Single : A 72 ASN : amide:sc= 0.632 K(o=0.63,f=-0.011) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 96:sc= 0.0307 USER MOD Single : A 80 SER OG : rot 180:sc= -0.664 USER MOD Single : A 81 TYR OH : rot 30:sc= -1.32 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 22:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot -110:sc= -0.308 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.987 USER MOD Single : A 96 LYS NZ :NH3+ 140:sc= 0.155 (180deg=0) USER MOD Single : A 98 GLN : amide:sc=-0.00241 X(o=-0.0024,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-0.87) USER MOD Single : A 101 GLN : amide:sc= -3.76! C(o=-3.8!,f=-6.9!) USER MOD Single : A 103 SER OG : rot 28:sc= 0.949 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.310 23.951 -17.541 1.00 0.00 N ATOM 2 CA GLY A 1 6.263 23.489 -16.648 1.00 0.00 C ATOM 3 C GLY A 1 6.639 23.642 -15.187 1.00 0.00 C ATOM 4 O GLY A 1 7.531 22.954 -14.693 1.00 0.00 O ATOM 0 H1 GLY A 1 7.005 23.826 -18.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.499 24.958 -17.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.177 23.401 -17.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.348 24.048 -16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.047 22.441 -16.857 1.00 0.00 H new ATOM 8 N SER A 2 5.957 24.549 -14.494 1.00 0.00 N ATOM 9 CA SER A 2 6.228 24.794 -13.083 1.00 0.00 C ATOM 10 C SER A 2 5.054 24.344 -12.218 1.00 0.00 C ATOM 11 O SER A 2 3.899 24.406 -12.639 1.00 0.00 O ATOM 12 CB SER A 2 6.509 26.279 -12.846 1.00 0.00 C ATOM 13 OG SER A 2 7.811 26.627 -13.285 1.00 0.00 O ATOM 0 H SER A 2 5.213 25.126 -14.887 1.00 0.00 H new ATOM 0 HA SER A 2 7.108 24.215 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.770 26.881 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.406 26.507 -11.785 1.00 0.00 H new ATOM 0 HG SER A 2 7.966 27.581 -13.124 1.00 0.00 H new ATOM 19 N SER A 3 5.359 23.889 -11.007 1.00 0.00 N ATOM 20 CA SER A 3 4.331 23.424 -10.083 1.00 0.00 C ATOM 21 C SER A 3 4.650 23.853 -8.654 1.00 0.00 C ATOM 22 O SER A 3 5.544 23.302 -8.014 1.00 0.00 O ATOM 23 CB SER A 3 4.203 21.902 -10.154 1.00 0.00 C ATOM 24 OG SER A 3 2.983 21.465 -9.579 1.00 0.00 O ATOM 0 H SER A 3 6.310 23.832 -10.643 1.00 0.00 H new ATOM 0 HA SER A 3 3.383 23.875 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.256 21.578 -11.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.041 21.439 -9.633 1.00 0.00 H new ATOM 0 HG SER A 3 2.925 20.489 -9.638 1.00 0.00 H new ATOM 30 N GLY A 4 3.911 24.842 -8.161 1.00 0.00 N ATOM 31 CA GLY A 4 4.130 25.329 -6.811 1.00 0.00 C ATOM 32 C GLY A 4 3.097 24.808 -5.832 1.00 0.00 C ATOM 33 O GLY A 4 1.907 24.759 -6.142 1.00 0.00 O ATOM 0 H GLY A 4 3.165 25.315 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.124 25.032 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.107 26.419 -6.813 1.00 0.00 H new ATOM 37 N SER A 5 3.553 24.415 -4.647 1.00 0.00 N ATOM 38 CA SER A 5 2.660 23.889 -3.621 1.00 0.00 C ATOM 39 C SER A 5 1.988 25.022 -2.852 1.00 0.00 C ATOM 40 O SER A 5 2.166 26.197 -3.175 1.00 0.00 O ATOM 41 CB SER A 5 3.434 22.990 -2.654 1.00 0.00 C ATOM 42 OG SER A 5 2.569 22.413 -1.691 1.00 0.00 O ATOM 0 H SER A 5 4.535 24.451 -4.374 1.00 0.00 H new ATOM 0 HA SER A 5 1.887 23.300 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.940 22.202 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.207 23.572 -2.151 1.00 0.00 H new ATOM 0 HG SER A 5 2.681 22.874 -0.833 1.00 0.00 H new ATOM 48 N SER A 6 1.215 24.661 -1.833 1.00 0.00 N ATOM 49 CA SER A 6 0.512 25.646 -1.020 1.00 0.00 C ATOM 50 C SER A 6 1.008 25.614 0.422 1.00 0.00 C ATOM 51 O SER A 6 1.535 26.601 0.932 1.00 0.00 O ATOM 52 CB SER A 6 -0.995 25.389 -1.059 1.00 0.00 C ATOM 53 OG SER A 6 -1.709 26.441 -0.433 1.00 0.00 O ATOM 0 H SER A 6 1.060 23.693 -1.551 1.00 0.00 H new ATOM 0 HA SER A 6 0.715 26.634 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.323 25.288 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.219 24.446 -0.560 1.00 0.00 H new ATOM 0 HG SER A 6 -2.670 26.253 -0.473 1.00 0.00 H new ATOM 59 N GLY A 7 0.835 24.468 1.075 1.00 0.00 N ATOM 60 CA GLY A 7 1.269 24.327 2.453 1.00 0.00 C ATOM 61 C GLY A 7 2.090 23.072 2.676 1.00 0.00 C ATOM 62 O GLY A 7 3.200 22.949 2.160 1.00 0.00 O ATOM 0 H GLY A 7 0.402 23.636 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.859 25.199 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.396 24.307 3.106 1.00 0.00 H new ATOM 66 N GLU A 8 1.542 22.138 3.448 1.00 0.00 N ATOM 67 CA GLU A 8 2.234 20.888 3.740 1.00 0.00 C ATOM 68 C GLU A 8 1.414 19.690 3.267 1.00 0.00 C ATOM 69 O GLU A 8 0.313 19.846 2.739 1.00 0.00 O ATOM 70 CB GLU A 8 2.510 20.770 5.240 1.00 0.00 C ATOM 71 CG GLU A 8 1.268 20.929 6.102 1.00 0.00 C ATOM 72 CD GLU A 8 0.574 19.609 6.373 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.927 18.945 7.370 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.324 19.239 5.587 1.00 0.00 O ATOM 0 H GLU A 8 0.623 22.223 3.882 1.00 0.00 H new ATOM 0 HA GLU A 8 3.183 20.893 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.961 19.798 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.241 21.526 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.545 21.391 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.572 21.607 5.608 1.00 0.00 H new ATOM 81 N VAL A 9 1.961 18.494 3.459 1.00 0.00 N ATOM 82 CA VAL A 9 1.282 17.269 3.053 1.00 0.00 C ATOM 83 C VAL A 9 0.362 16.759 4.157 1.00 0.00 C ATOM 84 O VAL A 9 0.665 16.891 5.343 1.00 0.00 O ATOM 85 CB VAL A 9 2.290 16.163 2.688 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.150 15.806 3.891 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.564 14.935 2.158 1.00 0.00 C ATOM 0 H VAL A 9 2.872 18.347 3.893 1.00 0.00 H new ATOM 0 HA VAL A 9 0.688 17.513 2.173 1.00 0.00 H new ATOM 0 HB VAL A 9 2.945 16.537 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.856 15.023 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.698 16.688 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.513 15.450 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.291 14.163 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.884 14.557 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.996 15.204 1.268 1.00 0.00 H new ATOM 97 N ASP A 10 -0.763 16.175 3.759 1.00 0.00 N ATOM 98 CA ASP A 10 -1.728 15.643 4.714 1.00 0.00 C ATOM 99 C ASP A 10 -2.107 14.208 4.362 1.00 0.00 C ATOM 100 O ASP A 10 -2.405 13.883 3.212 1.00 0.00 O ATOM 101 CB ASP A 10 -2.980 16.520 4.749 1.00 0.00 C ATOM 102 CG ASP A 10 -3.696 16.454 6.084 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.019 16.574 7.127 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.933 16.284 6.086 1.00 0.00 O ATOM 0 H ASP A 10 -1.029 16.058 2.781 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.264 15.646 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.702 17.553 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.662 16.207 3.958 1.00 0.00 H new ATOM 109 N PRO A 11 -2.094 13.327 5.373 1.00 0.00 N ATOM 110 CA PRO A 11 -2.433 11.912 5.195 1.00 0.00 C ATOM 111 C PRO A 11 -3.915 11.703 4.902 1.00 0.00 C ATOM 112 O PRO A 11 -4.286 10.830 4.118 1.00 0.00 O ATOM 113 CB PRO A 11 -2.061 11.285 6.540 1.00 0.00 C ATOM 114 CG PRO A 11 -2.153 12.405 7.518 1.00 0.00 C ATOM 115 CD PRO A 11 -1.748 13.644 6.769 1.00 0.00 C ATOM 0 HA PRO A 11 -1.910 11.472 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.742 10.475 6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.057 10.862 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.166 12.499 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.497 12.233 8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.284 14.523 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.684 13.852 6.882 1.00 0.00 H new ATOM 123 N ALA A 12 -4.758 12.511 5.537 1.00 0.00 N ATOM 124 CA ALA A 12 -6.200 12.417 5.342 1.00 0.00 C ATOM 125 C ALA A 12 -6.588 12.806 3.920 1.00 0.00 C ATOM 126 O ALA A 12 -7.644 12.412 3.423 1.00 0.00 O ATOM 127 CB ALA A 12 -6.927 13.295 6.350 1.00 0.00 C ATOM 0 H ALA A 12 -4.467 13.238 6.191 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.497 11.380 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.003 13.215 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.683 12.968 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.617 14.332 6.220 1.00 0.00 H new ATOM 133 N LYS A 13 -5.730 13.584 3.269 1.00 0.00 N ATOM 134 CA LYS A 13 -5.982 14.027 1.903 1.00 0.00 C ATOM 135 C LYS A 13 -5.344 13.076 0.896 1.00 0.00 C ATOM 136 O LYS A 13 -5.780 12.990 -0.253 1.00 0.00 O ATOM 137 CB LYS A 13 -5.441 15.444 1.697 1.00 0.00 C ATOM 138 CG LYS A 13 -5.960 16.447 2.712 1.00 0.00 C ATOM 139 CD LYS A 13 -7.252 17.097 2.245 1.00 0.00 C ATOM 140 CE LYS A 13 -8.470 16.313 2.709 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.739 17.028 2.403 1.00 0.00 N ATOM 0 H LYS A 13 -4.853 13.921 3.666 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.060 14.029 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.352 15.419 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.706 15.783 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.128 15.947 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.206 17.216 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.307 18.116 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.254 17.164 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.478 15.336 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.402 16.138 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.545 16.461 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.743 17.950 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.817 17.173 1.376 1.00 0.00 H new ATOM 155 N CYS A 14 -4.312 12.364 1.333 1.00 0.00 N ATOM 156 CA CYS A 14 -3.615 11.418 0.469 1.00 0.00 C ATOM 157 C CYS A 14 -4.562 10.326 -0.017 1.00 0.00 C ATOM 158 O CYS A 14 -5.618 10.097 0.572 1.00 0.00 O ATOM 159 CB CYS A 14 -2.434 10.792 1.212 1.00 0.00 C ATOM 160 SG CYS A 14 -0.991 11.873 1.348 1.00 0.00 S ATOM 0 H CYS A 14 -3.939 12.424 2.281 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.242 11.963 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.758 10.508 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.141 9.875 0.700 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.283 12.894 2.097 1.00 0.00 H new ATOM 166 N VAL A 15 -4.177 9.654 -1.098 1.00 0.00 N ATOM 167 CA VAL A 15 -4.992 8.586 -1.665 1.00 0.00 C ATOM 168 C VAL A 15 -4.121 7.516 -2.313 1.00 0.00 C ATOM 169 O VAL A 15 -2.899 7.653 -2.385 1.00 0.00 O ATOM 170 CB VAL A 15 -5.982 9.130 -2.711 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.275 9.574 -2.044 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.355 10.276 -3.492 1.00 0.00 C ATOM 0 H VAL A 15 -3.306 9.831 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.553 8.144 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.219 8.329 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.962 9.955 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.731 8.726 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.060 10.360 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.068 10.649 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.087 11.080 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.460 9.921 -4.003 1.00 0.00 H new ATOM 182 N LEU A 16 -4.757 6.449 -2.785 1.00 0.00 N ATOM 183 CA LEU A 16 -4.041 5.354 -3.430 1.00 0.00 C ATOM 184 C LEU A 16 -4.684 4.994 -4.765 1.00 0.00 C ATOM 185 O LEU A 16 -5.902 5.076 -4.920 1.00 0.00 O ATOM 186 CB LEU A 16 -4.015 4.128 -2.516 1.00 0.00 C ATOM 187 CG LEU A 16 -3.638 4.386 -1.057 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.231 3.314 -0.154 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.126 4.442 -0.899 1.00 0.00 C ATOM 0 H LEU A 16 -5.767 6.319 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.018 5.682 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.000 3.662 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.311 3.406 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.050 5.350 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.952 3.514 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.317 3.322 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.849 2.337 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.876 4.626 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.692 3.493 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.725 5.247 -1.515 1.00 0.00 H new ATOM 201 N GLN A 17 -3.856 4.593 -5.725 1.00 0.00 N ATOM 202 CA GLN A 17 -4.345 4.219 -7.047 1.00 0.00 C ATOM 203 C GLN A 17 -4.234 2.713 -7.262 1.00 0.00 C ATOM 204 O GLN A 17 -3.360 2.058 -6.697 1.00 0.00 O ATOM 205 CB GLN A 17 -3.563 4.960 -8.132 1.00 0.00 C ATOM 206 CG GLN A 17 -3.985 6.410 -8.303 1.00 0.00 C ATOM 207 CD GLN A 17 -5.195 6.564 -9.203 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.330 5.863 -10.206 1.00 0.00 O ATOM 209 NE2 GLN A 17 -6.085 7.483 -8.847 1.00 0.00 N ATOM 0 H GLN A 17 -2.845 4.519 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.396 4.500 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.501 4.926 -7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.691 4.439 -9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.208 6.837 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.154 6.980 -8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.933 8.042 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.921 7.630 -9.413 1.00 0.00 H new ATOM 218 N GLY A 18 -5.128 2.170 -8.084 1.00 0.00 N ATOM 219 CA GLY A 18 -5.113 0.745 -8.359 1.00 0.00 C ATOM 220 C GLY A 18 -6.503 0.140 -8.360 1.00 0.00 C ATOM 221 O GLY A 18 -7.237 0.256 -7.380 1.00 0.00 O ATOM 0 H GLY A 18 -5.862 2.691 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.643 0.570 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.501 0.240 -7.612 1.00 0.00 H new ATOM 225 N GLU A 19 -6.864 -0.505 -9.465 1.00 0.00 N ATOM 226 CA GLU A 19 -8.177 -1.128 -9.590 1.00 0.00 C ATOM 227 C GLU A 19 -8.283 -2.359 -8.694 1.00 0.00 C ATOM 228 O GLU A 19 -9.333 -2.626 -8.110 1.00 0.00 O ATOM 229 CB GLU A 19 -8.445 -1.518 -11.045 1.00 0.00 C ATOM 230 CG GLU A 19 -7.452 -2.526 -11.597 1.00 0.00 C ATOM 231 CD GLU A 19 -7.301 -2.432 -13.103 1.00 0.00 C ATOM 232 OE1 GLU A 19 -6.495 -1.599 -13.568 1.00 0.00 O ATOM 233 OE2 GLU A 19 -7.990 -3.191 -13.817 1.00 0.00 O ATOM 0 H GLU A 19 -6.267 -0.610 -10.285 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.926 -0.403 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.451 -1.931 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.421 -0.621 -11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.481 -2.368 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.775 -3.532 -11.330 1.00 0.00 H new ATOM 240 N ASP A 20 -7.188 -3.105 -8.592 1.00 0.00 N ATOM 241 CA ASP A 20 -7.157 -4.307 -7.768 1.00 0.00 C ATOM 242 C ASP A 20 -6.313 -4.086 -6.517 1.00 0.00 C ATOM 243 O ASP A 20 -5.326 -4.788 -6.288 1.00 0.00 O ATOM 244 CB ASP A 20 -6.603 -5.486 -8.570 1.00 0.00 C ATOM 245 CG ASP A 20 -5.360 -5.118 -9.357 1.00 0.00 C ATOM 246 OD1 ASP A 20 -5.451 -4.225 -10.225 1.00 0.00 O ATOM 247 OD2 ASP A 20 -4.297 -5.725 -9.107 1.00 0.00 O ATOM 0 H ASP A 20 -6.311 -2.898 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.178 -4.534 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.370 -6.306 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.370 -5.848 -9.255 1.00 0.00 H new ATOM 252 N LEU A 21 -6.706 -3.107 -5.710 1.00 0.00 N ATOM 253 CA LEU A 21 -5.986 -2.793 -4.481 1.00 0.00 C ATOM 254 C LEU A 21 -6.479 -3.657 -3.324 1.00 0.00 C ATOM 255 O LEU A 21 -5.760 -3.874 -2.348 1.00 0.00 O ATOM 256 CB LEU A 21 -6.153 -1.312 -4.134 1.00 0.00 C ATOM 257 CG LEU A 21 -5.281 -0.335 -4.923 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.688 1.100 -4.630 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.810 -0.551 -4.599 1.00 0.00 C ATOM 0 H LEU A 21 -7.519 -2.517 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.929 -3.006 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.197 -1.040 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.941 -1.182 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.429 -0.523 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.056 1.781 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.730 1.248 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.570 1.302 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.205 0.153 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.645 -0.391 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.525 -1.570 -4.861 1.00 0.00 H new ATOM 271 N HIS A 22 -7.708 -4.149 -3.442 1.00 0.00 N ATOM 272 CA HIS A 22 -8.296 -4.992 -2.407 1.00 0.00 C ATOM 273 C HIS A 22 -8.192 -6.467 -2.784 1.00 0.00 C ATOM 274 O HIS A 22 -8.912 -7.308 -2.245 1.00 0.00 O ATOM 275 CB HIS A 22 -9.760 -4.613 -2.181 1.00 0.00 C ATOM 276 CG HIS A 22 -9.937 -3.336 -1.420 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.639 -3.257 -0.236 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.497 -2.082 -1.679 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.625 -2.009 0.199 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.938 -1.277 -0.658 1.00 0.00 N ATOM 0 H HIS A 22 -8.316 -3.979 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.741 -4.831 -1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.257 -4.523 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.257 -5.420 -1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.909 -1.773 -2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.096 -1.649 1.102 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.763 -0.276 -0.575 1.00 0.00 H new ATOM 289 N ARG A 23 -7.294 -6.773 -3.714 1.00 0.00 N ATOM 290 CA ARG A 23 -7.098 -8.146 -4.165 1.00 0.00 C ATOM 291 C ARG A 23 -5.692 -8.338 -4.728 1.00 0.00 C ATOM 292 O ARG A 23 -5.118 -7.422 -5.315 1.00 0.00 O ATOM 293 CB ARG A 23 -8.138 -8.510 -5.226 1.00 0.00 C ATOM 294 CG ARG A 23 -8.476 -9.991 -5.263 1.00 0.00 C ATOM 295 CD ARG A 23 -9.907 -10.224 -5.722 1.00 0.00 C ATOM 296 NE ARG A 23 -10.869 -9.480 -4.914 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.184 -9.539 -5.096 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.690 -10.303 -6.053 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.995 -8.832 -4.319 1.00 0.00 N ATOM 0 H ARG A 23 -6.690 -6.089 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.220 -8.805 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.050 -7.942 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.768 -8.206 -6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.789 -10.506 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.336 -10.422 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.005 -9.928 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.136 -11.288 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.512 -8.882 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.070 -10.848 -6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.700 -10.346 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.609 -8.243 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.004 -8.878 -4.460 1.00 0.00 H new ATOM 313 N ALA A 24 -5.145 -9.535 -4.543 1.00 0.00 N ATOM 314 CA ALA A 24 -3.809 -9.848 -5.034 1.00 0.00 C ATOM 315 C ALA A 24 -3.681 -11.329 -5.371 1.00 0.00 C ATOM 316 O ALA A 24 -4.523 -12.139 -4.984 1.00 0.00 O ATOM 317 CB ALA A 24 -2.762 -9.447 -4.005 1.00 0.00 C ATOM 0 H ALA A 24 -5.607 -10.304 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.642 -9.278 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.769 -9.686 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.830 -8.376 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.937 -9.991 -3.077 1.00 0.00 H new ATOM 323 N ARG A 25 -2.622 -11.677 -6.096 1.00 0.00 N ATOM 324 CA ARG A 25 -2.385 -13.061 -6.488 1.00 0.00 C ATOM 325 C ARG A 25 -1.182 -13.637 -5.747 1.00 0.00 C ATOM 326 O ARG A 25 -0.274 -12.905 -5.356 1.00 0.00 O ATOM 327 CB ARG A 25 -2.161 -13.155 -7.998 1.00 0.00 C ATOM 328 CG ARG A 25 -2.097 -14.582 -8.517 1.00 0.00 C ATOM 329 CD ARG A 25 -3.480 -15.110 -8.866 1.00 0.00 C ATOM 330 NE ARG A 25 -4.082 -14.376 -9.975 1.00 0.00 N ATOM 331 CZ ARG A 25 -5.295 -14.632 -10.453 1.00 0.00 C ATOM 332 NH1 ARG A 25 -6.031 -15.597 -9.920 1.00 0.00 N ATOM 333 NH2 ARG A 25 -5.774 -13.920 -11.465 1.00 0.00 N ATOM 0 H ARG A 25 -1.915 -11.019 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.267 -13.644 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.966 -12.627 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.233 -12.643 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.458 -14.621 -9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.640 -15.224 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.410 -16.166 -9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.126 -15.039 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.542 -13.626 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.666 -16.145 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.962 -15.791 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.211 -13.176 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.705 -14.117 -11.832 1.00 0.00 H new ATOM 347 N GLU A 26 -1.185 -14.953 -5.558 1.00 0.00 N ATOM 348 CA GLU A 26 -0.094 -15.626 -4.863 1.00 0.00 C ATOM 349 C GLU A 26 1.164 -15.659 -5.727 1.00 0.00 C ATOM 350 O GLU A 26 1.113 -16.019 -6.904 1.00 0.00 O ATOM 351 CB GLU A 26 -0.503 -17.051 -4.485 1.00 0.00 C ATOM 352 CG GLU A 26 0.673 -18.000 -4.325 1.00 0.00 C ATOM 353 CD GLU A 26 0.326 -19.226 -3.503 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.842 -19.667 -3.560 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.220 -19.745 -2.803 1.00 0.00 O ATOM 0 H GLU A 26 -1.930 -15.573 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 26 0.125 -15.065 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.066 -17.023 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.173 -17.443 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.019 -18.314 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.500 -17.471 -3.851 1.00 0.00 H new ATOM 362 N LYS A 27 2.291 -15.280 -5.135 1.00 0.00 N ATOM 363 CA LYS A 27 3.563 -15.266 -5.848 1.00 0.00 C ATOM 364 C LYS A 27 3.501 -14.332 -7.053 1.00 0.00 C ATOM 365 O LYS A 27 4.079 -14.619 -8.101 1.00 0.00 O ATOM 366 CB LYS A 27 3.932 -16.679 -6.303 1.00 0.00 C ATOM 367 CG LYS A 27 4.649 -17.493 -5.240 1.00 0.00 C ATOM 368 CD LYS A 27 5.284 -18.743 -5.828 1.00 0.00 C ATOM 369 CE LYS A 27 6.654 -18.447 -6.418 1.00 0.00 C ATOM 370 NZ LYS A 27 6.985 -19.368 -7.540 1.00 0.00 N ATOM 0 H LYS A 27 2.350 -14.978 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 27 4.330 -14.899 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.024 -17.204 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.566 -16.613 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.418 -16.881 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.943 -17.775 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.377 -19.504 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.634 -19.153 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.682 -17.417 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.412 -18.536 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.926 -19.134 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.984 -20.349 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.276 -19.265 -8.294 1.00 0.00 H new ATOM 384 N GLN A 28 2.798 -13.215 -6.895 1.00 0.00 N ATOM 385 CA GLN A 28 2.662 -12.240 -7.970 1.00 0.00 C ATOM 386 C GLN A 28 3.132 -10.862 -7.518 1.00 0.00 C ATOM 387 O GLN A 28 3.167 -10.567 -6.322 1.00 0.00 O ATOM 388 CB GLN A 28 1.208 -12.167 -8.440 1.00 0.00 C ATOM 389 CG GLN A 28 1.007 -11.280 -9.658 1.00 0.00 C ATOM 390 CD GLN A 28 1.594 -11.879 -10.921 1.00 0.00 C ATOM 391 OE1 GLN A 28 2.754 -11.635 -11.256 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.795 -12.669 -11.629 1.00 0.00 N ATOM 0 H GLN A 28 2.314 -12.963 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 28 3.289 -12.563 -8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.859 -13.173 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.589 -11.795 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.059 -11.107 -9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.465 -10.308 -9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.159 -12.844 -11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.136 -13.101 -12.488 1.00 0.00 H new ATOM 401 N THR A 29 3.494 -10.019 -8.481 1.00 0.00 N ATOM 402 CA THR A 29 3.964 -8.673 -8.181 1.00 0.00 C ATOM 403 C THR A 29 2.841 -7.653 -8.330 1.00 0.00 C ATOM 404 O THR A 29 2.396 -7.363 -9.440 1.00 0.00 O ATOM 405 CB THR A 29 5.133 -8.269 -9.099 1.00 0.00 C ATOM 406 OG1 THR A 29 6.123 -9.304 -9.115 1.00 0.00 O ATOM 407 CG2 THR A 29 5.763 -6.965 -8.631 1.00 0.00 C ATOM 0 H THR A 29 3.470 -10.246 -9.475 1.00 0.00 H new ATOM 0 HA THR A 29 4.309 -8.682 -7.147 1.00 0.00 H new ATOM 0 HB THR A 29 4.742 -8.124 -10.106 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.862 -9.041 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.586 -6.700 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.014 -6.173 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.140 -7.087 -7.616 1.00 0.00 H new ATOM 415 N ALA A 30 2.386 -7.112 -7.205 1.00 0.00 N ATOM 416 CA ALA A 30 1.316 -6.122 -7.211 1.00 0.00 C ATOM 417 C ALA A 30 1.804 -4.783 -6.669 1.00 0.00 C ATOM 418 O ALA A 30 2.178 -4.674 -5.501 1.00 0.00 O ATOM 419 CB ALA A 30 0.130 -6.621 -6.399 1.00 0.00 C ATOM 0 H ALA A 30 2.742 -7.343 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 30 0.999 -5.973 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.661 -5.871 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.242 -7.550 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.443 -6.800 -5.370 1.00 0.00 H new ATOM 425 N SER A 31 1.799 -3.766 -7.525 1.00 0.00 N ATOM 426 CA SER A 31 2.246 -2.434 -7.132 1.00 0.00 C ATOM 427 C SER A 31 1.159 -1.397 -7.397 1.00 0.00 C ATOM 428 O SER A 31 0.248 -1.624 -8.193 1.00 0.00 O ATOM 429 CB SER A 31 3.521 -2.058 -7.889 1.00 0.00 C ATOM 430 OG SER A 31 3.305 -2.066 -9.289 1.00 0.00 O ATOM 0 H SER A 31 1.491 -3.839 -8.495 1.00 0.00 H new ATOM 0 HA SER A 31 2.457 -2.448 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.855 -1.069 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.317 -2.759 -7.637 1.00 0.00 H new ATOM 0 HG SER A 31 4.050 -1.614 -9.738 1.00 0.00 H new ATOM 436 N PHE A 32 1.262 -0.256 -6.723 1.00 0.00 N ATOM 437 CA PHE A 32 0.288 0.818 -6.883 1.00 0.00 C ATOM 438 C PHE A 32 0.954 2.183 -6.735 1.00 0.00 C ATOM 439 O PHE A 32 2.102 2.283 -6.301 1.00 0.00 O ATOM 440 CB PHE A 32 -0.836 0.672 -5.856 1.00 0.00 C ATOM 441 CG PHE A 32 -0.356 0.250 -4.497 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.011 -1.064 -4.255 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.272 1.167 -3.462 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.453 -1.456 -3.005 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.171 0.781 -2.211 1.00 0.00 C ATOM 446 CZ PHE A 32 0.532 -0.532 -1.982 1.00 0.00 C ATOM 0 H PHE A 32 2.010 -0.051 -6.061 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.134 0.746 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.362 1.623 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.558 -0.059 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.049 -1.790 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.556 2.195 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.736 -2.483 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.235 1.506 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.876 -0.836 -1.004 1.00 0.00 H new ATOM 456 N THR A 33 0.225 3.233 -7.101 1.00 0.00 N ATOM 457 CA THR A 33 0.744 4.592 -7.011 1.00 0.00 C ATOM 458 C THR A 33 0.117 5.344 -5.843 1.00 0.00 C ATOM 459 O THR A 33 -1.105 5.364 -5.689 1.00 0.00 O ATOM 460 CB THR A 33 0.488 5.378 -8.310 1.00 0.00 C ATOM 461 OG1 THR A 33 1.287 4.844 -9.372 1.00 0.00 O ATOM 462 CG2 THR A 33 0.806 6.854 -8.122 1.00 0.00 C ATOM 0 H THR A 33 -0.727 3.168 -7.463 1.00 0.00 H new ATOM 0 HA THR A 33 1.819 4.510 -6.851 1.00 0.00 H new ATOM 0 HB THR A 33 -0.567 5.280 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.117 5.348 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.617 7.388 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.175 7.265 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.854 6.968 -7.844 1.00 0.00 H new ATOM 470 N LEU A 34 0.959 5.962 -5.022 1.00 0.00 N ATOM 471 CA LEU A 34 0.486 6.717 -3.867 1.00 0.00 C ATOM 472 C LEU A 34 0.605 8.218 -4.112 1.00 0.00 C ATOM 473 O LEU A 34 1.704 8.773 -4.108 1.00 0.00 O ATOM 474 CB LEU A 34 1.280 6.328 -2.619 1.00 0.00 C ATOM 475 CG LEU A 34 1.091 7.226 -1.396 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.362 7.215 -0.945 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.006 6.785 -0.263 1.00 0.00 C ATOM 0 H LEU A 34 1.973 5.955 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.565 6.475 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.008 5.309 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.339 6.316 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 34 1.356 8.246 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.477 7.860 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.996 7.580 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.655 6.198 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.858 7.436 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.773 5.757 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.044 6.846 -0.589 1.00 0.00 H new ATOM 489 N LEU A 35 -0.534 8.869 -4.324 1.00 0.00 N ATOM 490 CA LEU A 35 -0.558 10.307 -4.568 1.00 0.00 C ATOM 491 C LEU A 35 -0.484 11.084 -3.258 1.00 0.00 C ATOM 492 O LEU A 35 -1.080 10.688 -2.255 1.00 0.00 O ATOM 493 CB LEU A 35 -1.826 10.693 -5.332 1.00 0.00 C ATOM 494 CG LEU A 35 -2.086 9.930 -6.631 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.508 10.167 -7.115 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.082 10.339 -7.699 1.00 0.00 C ATOM 0 H LEU A 35 -1.452 8.424 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 35 0.314 10.563 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.682 10.549 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.777 11.757 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.965 8.865 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.674 9.616 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.212 9.824 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.659 11.231 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.282 9.786 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.172 11.408 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.072 10.116 -7.354 1.00 0.00 H new ATOM 508 N CYS A 36 0.250 12.191 -3.273 1.00 0.00 N ATOM 509 CA CYS A 36 0.401 13.024 -2.086 1.00 0.00 C ATOM 510 C CYS A 36 -0.187 14.413 -2.318 1.00 0.00 C ATOM 511 O CYS A 36 0.274 15.157 -3.183 1.00 0.00 O ATOM 512 CB CYS A 36 1.877 13.140 -1.702 1.00 0.00 C ATOM 513 SG CYS A 36 2.644 11.569 -1.239 1.00 0.00 S ATOM 0 H CYS A 36 0.750 12.532 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.143 12.550 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.427 13.568 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.971 13.838 -0.870 1.00 0.00 H new ATOM 0 HG CYS A 36 3.565 11.782 -0.347 1.00 0.00 H new ATOM 519 N LYS A 37 -1.208 14.755 -1.540 1.00 0.00 N ATOM 520 CA LYS A 37 -1.860 16.053 -1.659 1.00 0.00 C ATOM 521 C LYS A 37 -1.630 16.895 -0.408 1.00 0.00 C ATOM 522 O LYS A 37 -1.070 16.418 0.579 1.00 0.00 O ATOM 523 CB LYS A 37 -3.362 15.873 -1.896 1.00 0.00 C ATOM 524 CG LYS A 37 -3.699 15.324 -3.271 1.00 0.00 C ATOM 525 CD LYS A 37 -3.738 13.805 -3.271 1.00 0.00 C ATOM 526 CE LYS A 37 -3.832 13.249 -4.684 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.037 13.753 -5.399 1.00 0.00 N ATOM 0 H LYS A 37 -1.602 14.150 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.423 16.574 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.763 15.201 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.860 16.834 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.665 15.714 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.959 15.670 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.843 13.417 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.592 13.462 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.937 13.523 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.862 12.160 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.130 13.262 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.883 13.574 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.940 14.775 -5.564 1.00 0.00 H new ATOM 541 N ASP A 38 -2.066 18.149 -0.456 1.00 0.00 N ATOM 542 CA ASP A 38 -1.909 19.057 0.674 1.00 0.00 C ATOM 543 C ASP A 38 -3.153 19.044 1.558 1.00 0.00 C ATOM 544 O ASP A 38 -4.100 18.300 1.303 1.00 0.00 O ATOM 545 CB ASP A 38 -1.634 20.478 0.180 1.00 0.00 C ATOM 546 CG ASP A 38 -2.844 21.104 -0.487 1.00 0.00 C ATOM 547 OD1 ASP A 38 -3.905 20.447 -0.526 1.00 0.00 O ATOM 548 OD2 ASP A 38 -2.728 22.250 -0.968 1.00 0.00 O ATOM 0 H ASP A 38 -2.531 18.560 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.060 18.717 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.325 21.098 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.803 20.460 -0.525 1.00 0.00 H new ATOM 553 N ALA A 39 -3.142 19.871 2.598 1.00 0.00 N ATOM 554 CA ALA A 39 -4.269 19.956 3.519 1.00 0.00 C ATOM 555 C ALA A 39 -5.538 20.391 2.794 1.00 0.00 C ATOM 556 O ALA A 39 -6.648 20.114 3.247 1.00 0.00 O ATOM 557 CB ALA A 39 -3.951 20.917 4.655 1.00 0.00 C ATOM 0 H ALA A 39 -2.365 20.492 2.824 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.442 18.964 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.801 20.971 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.075 20.562 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.749 21.908 4.248 1.00 0.00 H new ATOM 563 N ALA A 40 -5.366 21.074 1.667 1.00 0.00 N ATOM 564 CA ALA A 40 -6.498 21.546 0.880 1.00 0.00 C ATOM 565 C ALA A 40 -7.069 20.428 0.013 1.00 0.00 C ATOM 566 O ALA A 40 -8.191 20.524 -0.481 1.00 0.00 O ATOM 567 CB ALA A 40 -6.084 22.727 0.015 1.00 0.00 C ATOM 0 H ALA A 40 -4.453 21.313 1.279 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.278 21.870 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.940 23.069 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.731 23.538 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.285 22.421 -0.660 1.00 0.00 H new ATOM 573 N GLY A 41 -6.287 19.368 -0.167 1.00 0.00 N ATOM 574 CA GLY A 41 -6.732 18.247 -0.975 1.00 0.00 C ATOM 575 C GLY A 41 -6.362 18.403 -2.436 1.00 0.00 C ATOM 576 O GLY A 41 -7.018 17.840 -3.312 1.00 0.00 O ATOM 0 H GLY A 41 -5.354 19.265 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.293 17.327 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.814 18.146 -0.886 1.00 0.00 H new ATOM 580 N GLU A 42 -5.309 19.171 -2.700 1.00 0.00 N ATOM 581 CA GLU A 42 -4.856 19.401 -4.067 1.00 0.00 C ATOM 582 C GLU A 42 -3.419 18.920 -4.251 1.00 0.00 C ATOM 583 O GLU A 42 -2.652 18.842 -3.292 1.00 0.00 O ATOM 584 CB GLU A 42 -4.956 20.887 -4.418 1.00 0.00 C ATOM 585 CG GLU A 42 -3.913 21.748 -3.726 1.00 0.00 C ATOM 586 CD GLU A 42 -4.341 23.198 -3.605 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.105 23.516 -2.670 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.910 24.015 -4.446 1.00 0.00 O ATOM 0 H GLU A 42 -4.755 19.644 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.501 18.833 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.854 21.004 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.949 21.249 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.717 21.347 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.977 21.695 -4.281 1.00 0.00 H new ATOM 595 N ILE A 43 -3.064 18.598 -5.490 1.00 0.00 N ATOM 596 CA ILE A 43 -1.721 18.124 -5.801 1.00 0.00 C ATOM 597 C ILE A 43 -0.664 19.097 -5.290 1.00 0.00 C ATOM 598 O ILE A 43 -0.720 20.294 -5.571 1.00 0.00 O ATOM 599 CB ILE A 43 -1.531 17.926 -7.316 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.598 16.978 -7.867 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.137 17.391 -7.610 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.617 15.628 -7.184 1.00 0.00 C ATOM 0 H ILE A 43 -3.688 18.657 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.601 17.164 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.640 18.892 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.577 17.444 -7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.429 16.834 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.018 17.256 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.608 18.099 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.001 16.433 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.397 15.008 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.650 15.141 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.817 15.761 -6.121 1.00 0.00 H new ATOM 614 N MET A 44 0.300 18.574 -4.540 1.00 0.00 N ATOM 615 CA MET A 44 1.373 19.397 -3.993 1.00 0.00 C ATOM 616 C MET A 44 2.535 19.499 -4.975 1.00 0.00 C ATOM 617 O MET A 44 3.220 20.519 -5.038 1.00 0.00 O ATOM 618 CB MET A 44 1.862 18.817 -2.664 1.00 0.00 C ATOM 619 CG MET A 44 2.429 17.411 -2.787 1.00 0.00 C ATOM 620 SD MET A 44 2.443 16.529 -1.214 1.00 0.00 S ATOM 621 CE MET A 44 3.281 17.716 -0.168 1.00 0.00 C ATOM 0 H MET A 44 0.361 17.585 -4.297 1.00 0.00 H new ATOM 0 HA MET A 44 0.978 20.398 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.627 19.474 -2.250 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.034 18.805 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.839 16.847 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.445 17.466 -3.178 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.123 17.233 0.329 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.645 18.544 -0.776 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.586 18.095 0.582 1.00 0.00 H new ATOM 631 N GLY A 45 2.753 18.433 -5.740 1.00 0.00 N ATOM 632 CA GLY A 45 3.834 18.424 -6.709 1.00 0.00 C ATOM 633 C GLY A 45 5.200 18.472 -6.054 1.00 0.00 C ATOM 634 O GLY A 45 6.097 19.171 -6.524 1.00 0.00 O ATOM 0 H GLY A 45 2.201 17.576 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.760 17.526 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.725 19.278 -7.378 1.00 0.00 H new ATOM 638 N ARG A 46 5.358 17.728 -4.964 1.00 0.00 N ATOM 639 CA ARG A 46 6.624 17.691 -4.241 1.00 0.00 C ATOM 640 C ARG A 46 6.669 16.504 -3.284 1.00 0.00 C ATOM 641 O ARG A 46 5.632 15.974 -2.887 1.00 0.00 O ATOM 642 CB ARG A 46 6.831 18.993 -3.466 1.00 0.00 C ATOM 643 CG ARG A 46 5.849 19.184 -2.322 1.00 0.00 C ATOM 644 CD ARG A 46 6.387 18.606 -1.023 1.00 0.00 C ATOM 645 NE ARG A 46 7.471 19.415 -0.472 1.00 0.00 N ATOM 646 CZ ARG A 46 7.293 20.622 0.053 1.00 0.00 C ATOM 647 NH1 ARG A 46 6.081 21.157 0.099 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.329 21.297 0.535 1.00 0.00 N ATOM 0 H ARG A 46 4.625 17.143 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 46 7.427 17.578 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.846 19.012 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.742 19.834 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.644 20.246 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.902 18.704 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.579 18.538 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.745 17.591 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 46 8.416 19.032 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.282 20.642 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.948 22.084 0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.263 20.889 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.191 22.224 0.938 1.00 0.00 H new ATOM 662 N GLY A 47 7.878 16.091 -2.918 1.00 0.00 N ATOM 663 CA GLY A 47 8.036 14.969 -2.011 1.00 0.00 C ATOM 664 C GLY A 47 8.493 15.398 -0.631 1.00 0.00 C ATOM 665 O GLY A 47 8.685 16.586 -0.375 1.00 0.00 O ATOM 0 H GLY A 47 8.751 16.513 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.088 14.437 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.759 14.268 -2.428 1.00 0.00 H new ATOM 669 N GLY A 48 8.668 14.429 0.262 1.00 0.00 N ATOM 670 CA GLY A 48 9.102 14.733 1.613 1.00 0.00 C ATOM 671 C GLY A 48 8.128 14.236 2.661 1.00 0.00 C ATOM 672 O GLY A 48 7.983 14.844 3.722 1.00 0.00 O ATOM 0 H GLY A 48 8.517 13.438 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.079 14.283 1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.225 15.811 1.718 1.00 0.00 H new ATOM 676 N ASP A 49 7.456 13.129 2.365 1.00 0.00 N ATOM 677 CA ASP A 49 6.489 12.550 3.290 1.00 0.00 C ATOM 678 C ASP A 49 6.928 11.159 3.736 1.00 0.00 C ATOM 679 O ASP A 49 7.250 10.305 2.911 1.00 0.00 O ATOM 680 CB ASP A 49 5.107 12.478 2.638 1.00 0.00 C ATOM 681 CG ASP A 49 4.887 13.583 1.623 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.270 14.736 1.911 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.331 13.294 0.543 1.00 0.00 O ATOM 0 H ASP A 49 7.563 12.614 1.491 1.00 0.00 H new ATOM 0 HA ASP A 49 6.435 13.193 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.989 11.511 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.340 12.540 3.410 1.00 0.00 H new ATOM 688 N ASN A 50 6.940 10.940 5.047 1.00 0.00 N ATOM 689 CA ASN A 50 7.342 9.652 5.602 1.00 0.00 C ATOM 690 C ASN A 50 6.285 8.587 5.327 1.00 0.00 C ATOM 691 O ASN A 50 5.284 8.492 6.037 1.00 0.00 O ATOM 692 CB ASN A 50 7.577 9.775 7.109 1.00 0.00 C ATOM 693 CG ASN A 50 8.836 10.555 7.436 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.929 9.993 7.500 1.00 0.00 O ATOM 695 ND2 ASN A 50 8.687 11.858 7.644 1.00 0.00 N ATOM 0 H ASN A 50 6.676 11.636 5.744 1.00 0.00 H new ATOM 0 HA ASN A 50 8.271 9.350 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.719 10.266 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.646 8.779 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.498 12.435 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.761 12.282 7.581 1.00 0.00 H new ATOM 702 N VAL A 51 6.515 7.787 4.291 1.00 0.00 N ATOM 703 CA VAL A 51 5.584 6.727 3.922 1.00 0.00 C ATOM 704 C VAL A 51 5.943 5.416 4.612 1.00 0.00 C ATOM 705 O VAL A 51 7.101 5.001 4.613 1.00 0.00 O ATOM 706 CB VAL A 51 5.563 6.504 2.398 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.747 5.268 2.050 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.016 7.732 1.687 1.00 0.00 C ATOM 0 H VAL A 51 7.338 7.853 3.692 1.00 0.00 H new ATOM 0 HA VAL A 51 4.594 7.047 4.248 1.00 0.00 H new ATOM 0 HB VAL A 51 6.586 6.342 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.744 5.127 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.188 4.394 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.724 5.397 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.009 7.556 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.000 7.928 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.647 8.593 1.910 1.00 0.00 H new ATOM 718 N GLN A 52 4.940 4.768 5.197 1.00 0.00 N ATOM 719 CA GLN A 52 5.151 3.503 5.891 1.00 0.00 C ATOM 720 C GLN A 52 4.288 2.401 5.287 1.00 0.00 C ATOM 721 O GLN A 52 3.061 2.435 5.385 1.00 0.00 O ATOM 722 CB GLN A 52 4.836 3.656 7.380 1.00 0.00 C ATOM 723 CG GLN A 52 5.964 4.289 8.179 1.00 0.00 C ATOM 724 CD GLN A 52 5.603 4.494 9.637 1.00 0.00 C ATOM 725 OE1 GLN A 52 4.819 5.381 9.976 1.00 0.00 O ATOM 726 NE2 GLN A 52 6.174 3.672 10.510 1.00 0.00 N ATOM 0 H GLN A 52 3.975 5.098 5.204 1.00 0.00 H new ATOM 0 HA GLN A 52 6.198 3.224 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.938 4.263 7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.612 2.675 7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.850 3.657 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.224 5.250 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.818 2.951 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.969 3.762 11.505 1.00 0.00 H new ATOM 735 N VAL A 53 4.937 1.423 4.662 1.00 0.00 N ATOM 736 CA VAL A 53 4.228 0.310 4.042 1.00 0.00 C ATOM 737 C VAL A 53 4.635 -1.018 4.671 1.00 0.00 C ATOM 738 O VAL A 53 5.820 -1.339 4.757 1.00 0.00 O ATOM 739 CB VAL A 53 4.494 0.250 2.526 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.797 -0.953 1.909 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.043 1.539 1.856 1.00 0.00 C ATOM 0 H VAL A 53 5.952 1.379 4.572 1.00 0.00 H new ATOM 0 HA VAL A 53 3.164 0.478 4.210 1.00 0.00 H new ATOM 0 HB VAL A 53 5.567 0.140 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.996 -0.979 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.172 -1.867 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.723 -0.877 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.238 1.480 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.975 1.682 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.592 2.380 2.279 1.00 0.00 H new ATOM 751 N ALA A 54 3.644 -1.788 5.108 1.00 0.00 N ATOM 752 CA ALA A 54 3.898 -3.083 5.727 1.00 0.00 C ATOM 753 C ALA A 54 2.715 -4.026 5.533 1.00 0.00 C ATOM 754 O ALA A 54 1.590 -3.714 5.923 1.00 0.00 O ATOM 755 CB ALA A 54 4.200 -2.910 7.208 1.00 0.00 C ATOM 0 H ALA A 54 2.657 -1.537 5.045 1.00 0.00 H new ATOM 0 HA ALA A 54 4.766 -3.527 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.388 -3.885 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.081 -2.279 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.348 -2.441 7.701 1.00 0.00 H new ATOM 761 N VAL A 55 2.977 -5.179 4.927 1.00 0.00 N ATOM 762 CA VAL A 55 1.934 -6.168 4.681 1.00 0.00 C ATOM 763 C VAL A 55 2.024 -7.320 5.675 1.00 0.00 C ATOM 764 O VAL A 55 2.953 -8.126 5.625 1.00 0.00 O ATOM 765 CB VAL A 55 2.020 -6.731 3.250 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.894 -7.721 2.997 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.988 -5.602 2.231 1.00 0.00 C ATOM 0 H VAL A 55 3.903 -5.452 4.597 1.00 0.00 H new ATOM 0 HA VAL A 55 0.979 -5.658 4.806 1.00 0.00 H new ATOM 0 HB VAL A 55 2.967 -7.260 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.971 -8.108 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.968 -8.546 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.066 -7.220 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.050 -6.018 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.058 -5.043 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.833 -4.935 2.400 1.00 0.00 H new ATOM 777 N VAL A 56 1.051 -7.392 6.578 1.00 0.00 N ATOM 778 CA VAL A 56 1.019 -8.447 7.584 1.00 0.00 C ATOM 779 C VAL A 56 -0.156 -9.391 7.354 1.00 0.00 C ATOM 780 O VAL A 56 -1.317 -8.982 7.330 1.00 0.00 O ATOM 781 CB VAL A 56 0.923 -7.864 9.007 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.915 -8.979 10.042 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.069 -6.896 9.263 1.00 0.00 C ATOM 0 H VAL A 56 0.275 -6.733 6.633 1.00 0.00 H new ATOM 0 HA VAL A 56 1.952 -9.002 7.489 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.014 -7.314 9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.847 -8.548 11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.058 -9.630 9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.834 -9.559 9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.986 -6.493 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.019 -7.421 9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.024 -6.080 8.542 1.00 0.00 H new ATOM 793 N PRO A 57 0.150 -10.685 7.181 1.00 0.00 N ATOM 794 CA PRO A 57 -0.868 -11.715 6.950 1.00 0.00 C ATOM 795 C PRO A 57 -1.716 -11.980 8.189 1.00 0.00 C ATOM 796 O PRO A 57 -1.191 -12.294 9.258 1.00 0.00 O ATOM 797 CB PRO A 57 -0.044 -12.954 6.591 1.00 0.00 C ATOM 798 CG PRO A 57 1.280 -12.729 7.236 1.00 0.00 C ATOM 799 CD PRO A 57 1.512 -11.243 7.197 1.00 0.00 C ATOM 0 HA PRO A 57 -1.578 -11.420 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.515 -13.864 6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.055 -13.064 5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.282 -13.098 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.069 -13.261 6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.076 -10.902 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.078 -10.948 6.313 1.00 0.00 H new ATOM 807 N LYS A 58 -3.030 -11.852 8.039 1.00 0.00 N ATOM 808 CA LYS A 58 -3.952 -12.080 9.146 1.00 0.00 C ATOM 809 C LYS A 58 -3.697 -13.436 9.796 1.00 0.00 C ATOM 810 O LYS A 58 -4.010 -13.640 10.969 1.00 0.00 O ATOM 811 CB LYS A 58 -5.399 -12.002 8.654 1.00 0.00 C ATOM 812 CG LYS A 58 -5.801 -10.622 8.163 1.00 0.00 C ATOM 813 CD LYS A 58 -6.121 -9.689 9.320 1.00 0.00 C ATOM 814 CE LYS A 58 -7.587 -9.773 9.714 1.00 0.00 C ATOM 815 NZ LYS A 58 -7.853 -10.925 10.619 1.00 0.00 N ATOM 0 H LYS A 58 -3.481 -11.592 7.162 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.785 -11.303 9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.539 -12.721 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.066 -12.299 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.994 -10.198 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.670 -10.706 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.498 -9.943 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.876 -8.664 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.884 -8.848 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.199 -9.867 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.659 -10.702 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.075 -11.768 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.011 -11.111 11.201 1.00 0.00 H new ATOM 829 N ASP A 59 -3.127 -14.357 9.029 1.00 0.00 N ATOM 830 CA ASP A 59 -2.828 -15.693 9.532 1.00 0.00 C ATOM 831 C ASP A 59 -1.704 -15.646 10.563 1.00 0.00 C ATOM 832 O ASP A 59 -1.918 -15.923 11.743 1.00 0.00 O ATOM 833 CB ASP A 59 -2.440 -16.620 8.379 1.00 0.00 C ATOM 834 CG ASP A 59 -2.675 -18.082 8.707 1.00 0.00 C ATOM 835 OD1 ASP A 59 -1.920 -18.633 9.536 1.00 0.00 O ATOM 836 OD2 ASP A 59 -3.615 -18.674 8.137 1.00 0.00 O ATOM 0 H ASP A 59 -2.862 -14.204 8.056 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.724 -16.082 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.015 -16.353 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.388 -16.470 8.134 1.00 0.00 H new ATOM 841 N LYS A 60 -0.506 -15.295 10.109 1.00 0.00 N ATOM 842 CA LYS A 60 0.652 -15.212 10.990 1.00 0.00 C ATOM 843 C LYS A 60 0.970 -13.760 11.335 1.00 0.00 C ATOM 844 O LYS A 60 1.134 -12.922 10.449 1.00 0.00 O ATOM 845 CB LYS A 60 1.868 -15.869 10.333 1.00 0.00 C ATOM 846 CG LYS A 60 1.587 -17.257 9.784 1.00 0.00 C ATOM 847 CD LYS A 60 1.857 -18.333 10.822 1.00 0.00 C ATOM 848 CE LYS A 60 3.284 -18.849 10.732 1.00 0.00 C ATOM 849 NZ LYS A 60 4.233 -17.993 11.496 1.00 0.00 N ATOM 0 H LYS A 60 -0.312 -15.063 9.135 1.00 0.00 H new ATOM 0 HA LYS A 60 0.414 -15.743 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.221 -15.232 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.675 -15.933 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.549 -17.317 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.207 -17.434 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.677 -17.931 11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.161 -19.159 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.326 -19.869 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.591 -18.888 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.916 -18.595 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.741 -17.366 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.706 -17.419 12.184 1.00 0.00 H new ATOM 863 N LYS A 61 1.058 -13.470 12.629 1.00 0.00 N ATOM 864 CA LYS A 61 1.359 -12.121 13.092 1.00 0.00 C ATOM 865 C LYS A 61 2.842 -11.806 12.924 1.00 0.00 C ATOM 866 O LYS A 61 3.241 -10.641 12.907 1.00 0.00 O ATOM 867 CB LYS A 61 0.956 -11.962 14.560 1.00 0.00 C ATOM 868 CG LYS A 61 -0.471 -11.476 14.750 1.00 0.00 C ATOM 869 CD LYS A 61 -1.478 -12.497 14.248 1.00 0.00 C ATOM 870 CE LYS A 61 -2.886 -12.169 14.721 1.00 0.00 C ATOM 871 NZ LYS A 61 -3.555 -11.183 13.828 1.00 0.00 N ATOM 0 H LYS A 61 0.925 -14.152 13.376 1.00 0.00 H new ATOM 0 HA LYS A 61 0.786 -11.419 12.486 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.075 -12.920 15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.637 -11.260 15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.651 -11.275 15.806 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.610 -10.535 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.456 -12.526 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.197 -13.490 14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.478 -13.083 14.761 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.845 -11.771 15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.512 -10.986 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.004 -10.301 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.617 -11.572 12.866 1.00 0.00 H new ATOM 885 N ASP A 62 3.653 -12.850 12.799 1.00 0.00 N ATOM 886 CA ASP A 62 5.092 -12.685 12.629 1.00 0.00 C ATOM 887 C ASP A 62 5.476 -12.752 11.154 1.00 0.00 C ATOM 888 O ASP A 62 5.960 -11.774 10.584 1.00 0.00 O ATOM 889 CB ASP A 62 5.846 -13.759 13.414 1.00 0.00 C ATOM 890 CG ASP A 62 7.332 -13.470 13.510 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.907 -12.983 12.515 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.918 -13.729 14.582 1.00 0.00 O ATOM 0 H ASP A 62 3.339 -13.820 12.812 1.00 0.00 H new ATOM 0 HA ASP A 62 5.368 -11.703 13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.427 -13.832 14.418 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.697 -14.727 12.935 1.00 0.00 H new ATOM 897 N SER A 63 5.258 -13.912 10.543 1.00 0.00 N ATOM 898 CA SER A 63 5.586 -14.108 9.135 1.00 0.00 C ATOM 899 C SER A 63 5.384 -12.818 8.346 1.00 0.00 C ATOM 900 O SER A 63 4.277 -12.489 7.919 1.00 0.00 O ATOM 901 CB SER A 63 4.726 -15.224 8.540 1.00 0.00 C ATOM 902 OG SER A 63 5.396 -15.869 7.471 1.00 0.00 O ATOM 0 H SER A 63 4.856 -14.730 11.000 1.00 0.00 H new ATOM 0 HA SER A 63 6.636 -14.394 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.484 -15.952 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.782 -14.810 8.185 1.00 0.00 H new ATOM 0 HG SER A 63 4.826 -16.579 7.109 1.00 0.00 H new ATOM 908 N PRO A 64 6.478 -12.070 8.146 1.00 0.00 N ATOM 909 CA PRO A 64 6.448 -10.804 7.406 1.00 0.00 C ATOM 910 C PRO A 64 6.197 -11.009 5.916 1.00 0.00 C ATOM 911 O PRO A 64 6.048 -12.140 5.451 1.00 0.00 O ATOM 912 CB PRO A 64 7.846 -10.224 7.638 1.00 0.00 C ATOM 913 CG PRO A 64 8.707 -11.409 7.912 1.00 0.00 C ATOM 914 CD PRO A 64 7.830 -12.401 8.626 1.00 0.00 C ATOM 0 HA PRO A 64 5.641 -10.154 7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.196 -9.674 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.852 -9.528 8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.098 -11.830 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.565 -11.134 8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.103 -13.428 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.908 -12.300 9.708 1.00 0.00 H new ATOM 922 N VAL A 65 6.151 -9.909 5.171 1.00 0.00 N ATOM 923 CA VAL A 65 5.920 -9.969 3.733 1.00 0.00 C ATOM 924 C VAL A 65 6.894 -9.069 2.982 1.00 0.00 C ATOM 925 O VAL A 65 7.199 -7.961 3.424 1.00 0.00 O ATOM 926 CB VAL A 65 4.479 -9.556 3.379 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.343 -9.320 1.883 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.491 -10.611 3.853 1.00 0.00 C ATOM 0 H VAL A 65 6.271 -8.966 5.540 1.00 0.00 H new ATOM 0 HA VAL A 65 6.079 -11.004 3.430 1.00 0.00 H new ATOM 0 HB VAL A 65 4.251 -8.621 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.318 -9.029 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.023 -8.525 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.590 -10.236 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.478 -10.303 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.715 -11.562 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.571 -10.725 4.934 1.00 0.00 H new ATOM 938 N ARG A 66 7.379 -9.552 1.843 1.00 0.00 N ATOM 939 CA ARG A 66 8.320 -8.791 1.029 1.00 0.00 C ATOM 940 C ARG A 66 7.637 -7.582 0.397 1.00 0.00 C ATOM 941 O ARG A 66 6.576 -7.703 -0.216 1.00 0.00 O ATOM 942 CB ARG A 66 8.919 -9.680 -0.062 1.00 0.00 C ATOM 943 CG ARG A 66 10.169 -10.425 0.378 1.00 0.00 C ATOM 944 CD ARG A 66 11.403 -9.540 0.293 1.00 0.00 C ATOM 945 NE ARG A 66 11.901 -9.425 -1.075 1.00 0.00 N ATOM 946 CZ ARG A 66 12.428 -10.439 -1.752 1.00 0.00 C ATOM 947 NH1 ARG A 66 12.525 -11.636 -1.192 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.860 -10.256 -2.994 1.00 0.00 N ATOM 0 H ARG A 66 7.136 -10.467 1.463 1.00 0.00 H new ATOM 0 HA ARG A 66 9.120 -8.437 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.169 -10.403 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.159 -9.065 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.042 -10.778 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.308 -11.306 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.165 -8.548 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.187 -9.949 0.931 1.00 0.00 H new ATOM 0 HE ARG A 66 11.841 -8.517 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.194 -11.781 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.930 -12.412 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.787 -9.336 -3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.265 -11.035 -3.513 1.00 0.00 H new ATOM 962 N THR A 67 8.253 -6.414 0.550 1.00 0.00 N ATOM 963 CA THR A 67 7.705 -5.182 -0.005 1.00 0.00 C ATOM 964 C THR A 67 8.799 -4.330 -0.639 1.00 0.00 C ATOM 965 O THR A 67 9.985 -4.534 -0.382 1.00 0.00 O ATOM 966 CB THR A 67 6.985 -4.352 1.075 1.00 0.00 C ATOM 967 OG1 THR A 67 7.769 -4.321 2.273 1.00 0.00 O ATOM 968 CG2 THR A 67 5.611 -4.932 1.376 1.00 0.00 C ATOM 0 H THR A 67 9.132 -6.295 1.054 1.00 0.00 H new ATOM 0 HA THR A 67 6.985 -5.472 -0.770 1.00 0.00 H new ATOM 0 HB THR A 67 6.859 -3.337 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.305 -3.790 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.121 -4.330 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.007 -4.927 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.719 -5.956 1.734 1.00 0.00 H new ATOM 976 N MET A 68 8.392 -3.375 -1.468 1.00 0.00 N ATOM 977 CA MET A 68 9.339 -2.490 -2.138 1.00 0.00 C ATOM 978 C MET A 68 8.839 -1.049 -2.126 1.00 0.00 C ATOM 979 O MET A 68 7.644 -0.795 -2.277 1.00 0.00 O ATOM 980 CB MET A 68 9.568 -2.951 -3.579 1.00 0.00 C ATOM 981 CG MET A 68 10.950 -2.610 -4.113 1.00 0.00 C ATOM 982 SD MET A 68 12.257 -3.561 -3.314 1.00 0.00 S ATOM 983 CE MET A 68 13.706 -2.643 -3.828 1.00 0.00 C ATOM 0 H MET A 68 7.414 -3.194 -1.692 1.00 0.00 H new ATOM 0 HA MET A 68 10.284 -2.532 -1.596 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.422 -4.030 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.816 -2.494 -4.222 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.976 -2.795 -5.187 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.139 -1.546 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.599 -3.110 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.770 -2.643 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.633 -1.616 -3.469 1.00 0.00 H new ATOM 993 N VAL A 69 9.761 -0.109 -1.944 1.00 0.00 N ATOM 994 CA VAL A 69 9.413 1.307 -1.913 1.00 0.00 C ATOM 995 C VAL A 69 10.479 2.149 -2.604 1.00 0.00 C ATOM 996 O VAL A 69 11.648 2.124 -2.220 1.00 0.00 O ATOM 997 CB VAL A 69 9.234 1.809 -0.468 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.368 1.311 0.415 1.00 0.00 C ATOM 999 CG2 VAL A 69 9.152 3.327 -0.438 1.00 0.00 C ATOM 0 H VAL A 69 10.754 -0.302 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 69 8.468 1.413 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 69 8.298 1.409 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.224 1.676 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.375 0.221 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.318 1.679 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.026 3.664 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.069 3.749 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.302 3.657 -1.035 1.00 0.00 H new ATOM 1009 N GLN A 70 10.067 2.895 -3.624 1.00 0.00 N ATOM 1010 CA GLN A 70 10.988 3.746 -4.368 1.00 0.00 C ATOM 1011 C GLN A 70 10.509 5.194 -4.372 1.00 0.00 C ATOM 1012 O GLN A 70 9.542 5.537 -5.052 1.00 0.00 O ATOM 1013 CB GLN A 70 11.133 3.241 -5.805 1.00 0.00 C ATOM 1014 CG GLN A 70 12.490 3.542 -6.421 1.00 0.00 C ATOM 1015 CD GLN A 70 13.573 2.599 -5.935 1.00 0.00 C ATOM 1016 OE1 GLN A 70 13.532 2.118 -4.803 1.00 0.00 O ATOM 1017 NE2 GLN A 70 14.551 2.329 -6.792 1.00 0.00 N ATOM 0 H GLN A 70 9.102 2.927 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 70 11.959 3.705 -3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.967 2.164 -5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.355 3.693 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.415 3.475 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.773 4.568 -6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.546 2.750 -7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.307 1.701 -6.521 1.00 0.00 H new ATOM 1026 N ASP A 71 11.191 6.039 -3.607 1.00 0.00 N ATOM 1027 CA ASP A 71 10.836 7.451 -3.522 1.00 0.00 C ATOM 1028 C ASP A 71 11.157 8.172 -4.828 1.00 0.00 C ATOM 1029 O ASP A 71 12.290 8.133 -5.307 1.00 0.00 O ATOM 1030 CB ASP A 71 11.577 8.117 -2.362 1.00 0.00 C ATOM 1031 CG ASP A 71 10.916 9.406 -1.916 1.00 0.00 C ATOM 1032 OD1 ASP A 71 9.967 9.851 -2.594 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.348 9.970 -0.889 1.00 0.00 O ATOM 0 H ASP A 71 11.993 5.771 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 71 9.763 7.520 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.624 7.426 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.604 8.324 -2.662 1.00 0.00 H new ATOM 1038 N ASN A 72 10.152 8.828 -5.398 1.00 0.00 N ATOM 1039 CA ASN A 72 10.328 9.557 -6.649 1.00 0.00 C ATOM 1040 C ASN A 72 10.542 11.044 -6.388 1.00 0.00 C ATOM 1041 O ASN A 72 10.835 11.812 -7.305 1.00 0.00 O ATOM 1042 CB ASN A 72 9.111 9.357 -7.555 1.00 0.00 C ATOM 1043 CG ASN A 72 9.150 8.032 -8.292 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.066 7.770 -9.071 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.153 7.190 -8.049 1.00 0.00 N ATOM 0 H ASN A 72 9.208 8.870 -5.014 1.00 0.00 H new ATOM 0 HA ASN A 72 11.214 9.163 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.202 9.409 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.063 10.171 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.126 6.284 -8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.414 7.449 -7.395 1.00 0.00 H new ATOM 1052 N LYS A 73 10.395 11.445 -5.129 1.00 0.00 N ATOM 1053 CA LYS A 73 10.573 12.840 -4.744 1.00 0.00 C ATOM 1054 C LYS A 73 9.919 13.773 -5.758 1.00 0.00 C ATOM 1055 O LYS A 73 10.484 14.803 -6.123 1.00 0.00 O ATOM 1056 CB LYS A 73 12.063 13.169 -4.620 1.00 0.00 C ATOM 1057 CG LYS A 73 12.843 12.158 -3.797 1.00 0.00 C ATOM 1058 CD LYS A 73 12.695 12.419 -2.308 1.00 0.00 C ATOM 1059 CE LYS A 73 13.648 13.507 -1.835 1.00 0.00 C ATOM 1060 NZ LYS A 73 13.143 14.195 -0.615 1.00 0.00 N ATOM 0 H LYS A 73 10.153 10.823 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 73 10.091 12.988 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.498 13.226 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.172 14.155 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.493 11.152 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.897 12.199 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.668 12.713 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.888 11.499 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.624 13.069 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.789 14.237 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.820 14.929 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.223 14.635 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.032 13.503 0.153 1.00 0.00 H new ATOM 1074 N ASP A 74 8.724 13.405 -6.208 1.00 0.00 N ATOM 1075 CA ASP A 74 7.991 14.210 -7.179 1.00 0.00 C ATOM 1076 C ASP A 74 6.536 14.380 -6.755 1.00 0.00 C ATOM 1077 O ASP A 74 5.930 15.426 -6.984 1.00 0.00 O ATOM 1078 CB ASP A 74 8.061 13.566 -8.564 1.00 0.00 C ATOM 1079 CG ASP A 74 9.478 13.487 -9.096 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.215 14.488 -8.971 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.851 12.425 -9.637 1.00 0.00 O ATOM 0 H ASP A 74 8.242 12.555 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 74 8.455 15.195 -7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.638 12.563 -8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.447 14.139 -9.259 1.00 0.00 H new ATOM 1086 N GLY A 75 5.980 13.343 -6.136 1.00 0.00 N ATOM 1087 CA GLY A 75 4.599 13.397 -5.692 1.00 0.00 C ATOM 1088 C GLY A 75 3.935 12.034 -5.697 1.00 0.00 C ATOM 1089 O GLY A 75 2.922 11.826 -5.028 1.00 0.00 O ATOM 0 H GLY A 75 6.461 12.467 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.560 13.813 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.039 14.073 -6.338 1.00 0.00 H new ATOM 1093 N THR A 76 4.504 11.102 -6.455 1.00 0.00 N ATOM 1094 CA THR A 76 3.960 9.754 -6.547 1.00 0.00 C ATOM 1095 C THR A 76 4.998 8.713 -6.144 1.00 0.00 C ATOM 1096 O THR A 76 6.125 8.722 -6.639 1.00 0.00 O ATOM 1097 CB THR A 76 3.465 9.444 -7.972 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.385 9.969 -8.935 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.084 10.038 -8.206 1.00 0.00 C ATOM 0 H THR A 76 5.343 11.257 -7.015 1.00 0.00 H new ATOM 0 HA THR A 76 3.116 9.706 -5.859 1.00 0.00 H new ATOM 0 HB THR A 76 3.401 8.362 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.064 9.766 -9.838 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.755 9.806 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.380 9.614 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.126 11.119 -8.077 1.00 0.00 H new ATOM 1107 N TYR A 77 4.611 7.816 -5.243 1.00 0.00 N ATOM 1108 CA TYR A 77 5.509 6.769 -4.772 1.00 0.00 C ATOM 1109 C TYR A 77 5.214 5.444 -5.469 1.00 0.00 C ATOM 1110 O TYR A 77 4.122 5.238 -6.000 1.00 0.00 O ATOM 1111 CB TYR A 77 5.382 6.601 -3.257 1.00 0.00 C ATOM 1112 CG TYR A 77 5.979 7.744 -2.469 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.259 8.912 -2.246 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.264 7.658 -1.948 1.00 0.00 C ATOM 1115 CE1 TYR A 77 5.801 9.959 -1.527 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.813 8.700 -1.226 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.078 9.849 -1.019 1.00 0.00 C ATOM 1118 OH TYR A 77 7.622 10.889 -0.302 1.00 0.00 O ATOM 0 H TYR A 77 3.681 7.794 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 77 6.530 7.066 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.328 6.504 -2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.870 5.673 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.258 9.002 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.844 6.761 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.228 10.859 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.812 8.616 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 77 7.497 10.726 0.656 1.00 0.00 H new ATOM 1128 N TYR A 78 6.195 4.548 -5.462 1.00 0.00 N ATOM 1129 CA TYR A 78 6.042 3.243 -6.094 1.00 0.00 C ATOM 1130 C TYR A 78 6.144 2.123 -5.063 1.00 0.00 C ATOM 1131 O TYR A 78 7.241 1.725 -4.670 1.00 0.00 O ATOM 1132 CB TYR A 78 7.104 3.051 -7.179 1.00 0.00 C ATOM 1133 CG TYR A 78 6.729 2.017 -8.216 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.502 2.069 -8.866 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.602 0.988 -8.547 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.155 1.126 -9.814 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.264 0.042 -9.494 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.040 0.115 -10.125 1.00 0.00 C ATOM 1139 OH TYR A 78 5.699 -0.827 -11.069 1.00 0.00 O ATOM 0 H TYR A 78 7.104 4.702 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 78 5.053 3.202 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.280 4.005 -7.676 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.043 2.758 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.807 2.860 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.561 0.927 -8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.196 1.180 -10.309 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.955 -0.751 -9.739 1.00 0.00 H new ATOM 0 HH TYR A 78 6.433 -1.469 -11.171 1.00 0.00 H new ATOM 1149 N ILE A 79 4.993 1.619 -4.631 1.00 0.00 N ATOM 1150 CA ILE A 79 4.952 0.544 -3.648 1.00 0.00 C ATOM 1151 C ILE A 79 4.541 -0.775 -4.292 1.00 0.00 C ATOM 1152 O ILE A 79 3.494 -0.864 -4.934 1.00 0.00 O ATOM 1153 CB ILE A 79 3.977 0.868 -2.500 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.458 2.096 -1.725 1.00 0.00 C ATOM 1155 CG2 ILE A 79 3.836 -0.329 -1.572 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.341 2.859 -1.048 1.00 0.00 C ATOM 0 H ILE A 79 4.077 1.938 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 79 5.959 0.449 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 79 2.998 1.091 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.180 1.780 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.982 2.765 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.144 -0.085 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.453 -1.181 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.810 -0.580 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.755 3.716 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.630 3.205 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.832 2.206 -0.340 1.00 0.00 H new ATOM 1168 N SER A 80 5.370 -1.798 -4.115 1.00 0.00 N ATOM 1169 CA SER A 80 5.094 -3.113 -4.681 1.00 0.00 C ATOM 1170 C SER A 80 5.294 -4.207 -3.637 1.00 0.00 C ATOM 1171 O SER A 80 6.187 -4.121 -2.794 1.00 0.00 O ATOM 1172 CB SER A 80 5.999 -3.373 -5.888 1.00 0.00 C ATOM 1173 OG SER A 80 7.315 -3.700 -5.477 1.00 0.00 O ATOM 0 H SER A 80 6.239 -1.742 -3.584 1.00 0.00 H new ATOM 0 HA SER A 80 4.054 -3.130 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.588 -4.187 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.023 -2.489 -6.526 1.00 0.00 H new ATOM 0 HG SER A 80 7.873 -3.863 -6.266 1.00 0.00 H new ATOM 1179 N TYR A 81 4.455 -5.235 -3.699 1.00 0.00 N ATOM 1180 CA TYR A 81 4.536 -6.346 -2.757 1.00 0.00 C ATOM 1181 C TYR A 81 4.311 -7.678 -3.466 1.00 0.00 C ATOM 1182 O TYR A 81 3.547 -7.763 -4.428 1.00 0.00 O ATOM 1183 CB TYR A 81 3.508 -6.170 -1.639 1.00 0.00 C ATOM 1184 CG TYR A 81 2.075 -6.247 -2.116 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.412 -5.116 -2.574 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.384 -7.453 -2.109 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.103 -5.182 -3.010 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.076 -7.529 -2.544 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.561 -6.391 -2.993 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.864 -6.461 -3.428 1.00 0.00 O ATOM 0 H TYR A 81 3.711 -5.322 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 81 5.536 -6.350 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.672 -6.937 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.670 -5.206 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.929 -4.168 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.879 -8.346 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.398 -4.292 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.446 -8.475 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.016 -5.780 -4.116 1.00 0.00 H new ATOM 1200 N THR A 82 4.982 -8.719 -2.981 1.00 0.00 N ATOM 1201 CA THR A 82 4.857 -10.048 -3.567 1.00 0.00 C ATOM 1202 C THR A 82 4.639 -11.105 -2.490 1.00 0.00 C ATOM 1203 O THR A 82 5.573 -11.540 -1.816 1.00 0.00 O ATOM 1204 CB THR A 82 6.105 -10.419 -4.390 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.411 -9.370 -5.315 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.887 -11.721 -5.146 1.00 0.00 C ATOM 0 H THR A 82 5.617 -8.667 -2.184 1.00 0.00 H new ATOM 0 HA THR A 82 3.990 -10.022 -4.228 1.00 0.00 H new ATOM 0 HB THR A 82 6.940 -10.552 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.207 -9.613 -5.833 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.782 -11.963 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.683 -12.524 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.040 -11.611 -5.823 1.00 0.00 H new ATOM 1214 N PRO A 83 3.378 -11.529 -2.322 1.00 0.00 N ATOM 1215 CA PRO A 83 3.009 -12.542 -1.329 1.00 0.00 C ATOM 1216 C PRO A 83 3.531 -13.928 -1.692 1.00 0.00 C ATOM 1217 O PRO A 83 3.805 -14.214 -2.858 1.00 0.00 O ATOM 1218 CB PRO A 83 1.479 -12.523 -1.354 1.00 0.00 C ATOM 1219 CG PRO A 83 1.129 -12.023 -2.713 1.00 0.00 C ATOM 1220 CD PRO A 83 2.215 -11.054 -3.090 1.00 0.00 C ATOM 0 HA PRO A 83 3.435 -12.326 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.068 -13.517 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.078 -11.872 -0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.073 -12.844 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.154 -11.535 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.410 -11.066 -4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.950 -10.030 -2.826 1.00 0.00 H new ATOM 1228 N LYS A 84 3.667 -14.786 -0.687 1.00 0.00 N ATOM 1229 CA LYS A 84 4.155 -16.144 -0.900 1.00 0.00 C ATOM 1230 C LYS A 84 3.030 -17.159 -0.726 1.00 0.00 C ATOM 1231 O LYS A 84 2.909 -18.104 -1.506 1.00 0.00 O ATOM 1232 CB LYS A 84 5.294 -16.457 0.073 1.00 0.00 C ATOM 1233 CG LYS A 84 4.891 -16.358 1.534 1.00 0.00 C ATOM 1234 CD LYS A 84 6.064 -15.950 2.409 1.00 0.00 C ATOM 1235 CE LYS A 84 6.875 -17.158 2.853 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.968 -16.778 3.790 1.00 0.00 N ATOM 0 H LYS A 84 3.446 -14.565 0.284 1.00 0.00 H new ATOM 0 HA LYS A 84 4.529 -16.214 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.664 -17.463 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.120 -15.771 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.085 -15.632 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.501 -17.319 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.706 -15.261 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.697 -15.415 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.217 -17.880 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.301 -17.651 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.497 -17.629 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.611 -16.109 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.560 -16.331 4.636 1.00 0.00 H new ATOM 1250 N GLU A 85 2.209 -16.957 0.300 1.00 0.00 N ATOM 1251 CA GLU A 85 1.094 -17.856 0.574 1.00 0.00 C ATOM 1252 C GLU A 85 -0.240 -17.133 0.415 1.00 0.00 C ATOM 1253 O GLU A 85 -0.365 -15.940 0.696 1.00 0.00 O ATOM 1254 CB GLU A 85 1.210 -18.431 1.988 1.00 0.00 C ATOM 1255 CG GLU A 85 2.302 -19.477 2.132 1.00 0.00 C ATOM 1256 CD GLU A 85 2.295 -20.144 3.494 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.853 -19.500 4.468 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.732 -21.310 3.585 1.00 0.00 O ATOM 0 H GLU A 85 2.295 -16.179 0.955 1.00 0.00 H new ATOM 0 HA GLU A 85 1.133 -18.672 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.403 -17.617 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.255 -18.874 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.177 -20.236 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.272 -19.009 1.966 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.261 -17.870 -0.047 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.604 -17.320 -0.255 1.00 0.00 C ATOM 1267 C PRO A 86 -3.306 -16.993 1.059 1.00 0.00 C ATOM 1268 O PRO A 86 -2.949 -17.520 2.112 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.338 -18.445 -0.989 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.622 -19.689 -0.588 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.182 -19.297 -0.402 1.00 0.00 C ATOM 0 HA PRO A 86 -2.579 -16.379 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.389 -18.484 -0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.306 -18.300 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.037 -20.098 0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.721 -20.460 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.705 -19.881 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.602 -19.453 -1.312 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.307 -16.121 0.989 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.043 -15.740 2.180 1.00 0.00 C ATOM 1281 C GLY A 87 -5.275 -14.244 2.264 1.00 0.00 C ATOM 1282 O GLY A 87 -4.893 -13.498 1.363 1.00 0.00 O ATOM 0 H GLY A 87 -4.621 -15.672 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.004 -16.255 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.495 -16.070 3.063 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.904 -13.805 3.350 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.187 -12.389 3.549 1.00 0.00 C ATOM 1288 C VAL A 88 -4.987 -11.669 4.155 1.00 0.00 C ATOM 1289 O VAL A 88 -4.284 -12.218 5.003 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.410 -12.183 4.462 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.268 -13.001 5.737 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.593 -10.708 4.783 1.00 0.00 C ATOM 0 H VAL A 88 -6.227 -14.410 4.105 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.402 -11.968 2.567 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.298 -12.529 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.141 -12.843 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.190 -14.058 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.371 -12.689 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.462 -10.581 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.705 -10.333 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.744 -10.150 3.859 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.760 -10.436 3.715 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.644 -9.641 4.213 1.00 0.00 C ATOM 1304 C TYR A 89 -4.097 -8.228 4.567 1.00 0.00 C ATOM 1305 O TYR A 89 -5.176 -7.789 4.165 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.526 -9.583 3.170 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.768 -10.883 3.023 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.403 -12.034 2.573 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.416 -10.960 3.333 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.714 -13.223 2.438 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.282 -12.145 3.200 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.372 -13.274 2.752 1.00 0.00 C ATOM 1313 OH TYR A 89 0.318 -14.457 2.618 1.00 0.00 O ATOM 0 H TYR A 89 -5.334 -9.966 3.015 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.265 -10.119 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.954 -9.311 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.826 -8.793 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.453 -11.998 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.099 -10.078 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.223 -14.109 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.333 -12.187 3.445 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.153 -15.041 1.988 1.00 0.00 H new ATOM 1323 N THR A 90 -3.265 -7.518 5.323 1.00 0.00 N ATOM 1324 CA THR A 90 -3.579 -6.155 5.733 1.00 0.00 C ATOM 1325 C THR A 90 -2.468 -5.191 5.331 1.00 0.00 C ATOM 1326 O THR A 90 -1.408 -5.154 5.955 1.00 0.00 O ATOM 1327 CB THR A 90 -3.797 -6.063 7.255 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.645 -7.130 7.693 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.420 -4.727 7.631 1.00 0.00 C ATOM 0 H THR A 90 -2.368 -7.865 5.664 1.00 0.00 H new ATOM 0 HA THR A 90 -4.501 -5.875 5.224 1.00 0.00 H new ATOM 0 HB THR A 90 -2.827 -6.145 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.515 -6.767 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.565 -4.684 8.710 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.759 -3.917 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.383 -4.621 7.131 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.719 -4.410 4.285 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.740 -3.444 3.800 1.00 0.00 C ATOM 1339 C VAL A 91 -1.711 -2.202 4.684 1.00 0.00 C ATOM 1340 O VAL A 91 -2.615 -1.369 4.632 1.00 0.00 O ATOM 1341 CB VAL A 91 -2.040 -3.021 2.350 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -1.015 -2.005 1.867 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -2.069 -4.236 1.436 1.00 0.00 C ATOM 0 H VAL A 91 -3.592 -4.427 3.757 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.767 -3.934 3.834 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.023 -2.551 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.243 -1.718 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.048 -1.123 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.019 -2.446 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.282 -3.918 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.101 -4.737 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.844 -4.925 1.771 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.665 -2.085 5.495 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.517 -0.944 6.391 1.00 0.00 C ATOM 1355 C TRP A 92 0.074 0.253 5.655 1.00 0.00 C ATOM 1356 O TRP A 92 1.261 0.270 5.330 1.00 0.00 O ATOM 1357 CB TRP A 92 0.369 -1.315 7.581 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.361 -2.062 8.656 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.309 -3.030 8.482 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.204 -1.901 10.070 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.751 -3.479 9.703 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.088 -2.804 10.693 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.599 -1.084 10.870 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.190 -2.909 12.078 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.496 -1.189 12.244 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.392 -2.096 12.837 1.00 0.00 C ATOM 0 H TRP A 92 0.092 -2.766 5.550 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.507 -0.670 6.756 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.203 -1.922 7.229 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.794 -0.406 8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.659 -3.389 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.459 -4.199 9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.288 -0.383 10.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.874 -3.607 12.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 1.111 -0.561 12.872 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.448 -2.155 13.914 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.761 1.254 5.395 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.320 2.456 4.698 1.00 0.00 C ATOM 1379 C VAL A 93 -0.618 3.707 5.517 1.00 0.00 C ATOM 1380 O VAL A 93 -1.766 4.142 5.610 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.996 2.586 3.320 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.545 3.859 2.621 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.698 1.364 2.464 1.00 0.00 C ATOM 0 H VAL A 93 -1.747 1.256 5.657 1.00 0.00 H new ATOM 0 HA VAL A 93 0.757 2.364 4.559 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.074 2.644 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.033 3.933 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.814 4.723 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.536 3.835 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.183 1.472 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.379 1.272 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.076 0.471 2.961 1.00 0.00 H new ATOM 1393 N CYS A 94 0.423 4.280 6.110 1.00 0.00 N ATOM 1394 CA CYS A 94 0.274 5.482 6.923 1.00 0.00 C ATOM 1395 C CYS A 94 1.410 6.464 6.656 1.00 0.00 C ATOM 1396 O CYS A 94 2.520 6.063 6.302 1.00 0.00 O ATOM 1397 CB CYS A 94 0.237 5.117 8.408 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.693 3.611 8.775 1.00 0.00 S ATOM 0 H CYS A 94 1.379 3.932 6.043 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.667 5.961 6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.259 4.997 8.767 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.201 5.946 8.964 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.665 3.385 10.055 1.00 0.00 H new ATOM 1404 N ILE A 95 1.126 7.750 6.826 1.00 0.00 N ATOM 1405 CA ILE A 95 2.124 8.789 6.603 1.00 0.00 C ATOM 1406 C ILE A 95 2.307 9.652 7.847 1.00 0.00 C ATOM 1407 O ILE A 95 1.347 10.213 8.374 1.00 0.00 O ATOM 1408 CB ILE A 95 1.741 9.693 5.417 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.966 8.958 4.094 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.542 10.985 5.455 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.737 9.825 2.875 1.00 0.00 C ATOM 0 H ILE A 95 0.213 8.098 7.118 1.00 0.00 H new ATOM 0 HA ILE A 95 3.061 8.282 6.374 1.00 0.00 H new ATOM 0 HB ILE A 95 0.683 9.943 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.986 8.573 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.299 8.097 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.260 11.613 4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.335 11.514 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.606 10.755 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.914 9.239 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.710 10.189 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.422 10.673 2.897 1.00 0.00 H new ATOM 1423 N LYS A 96 3.548 9.755 8.311 1.00 0.00 N ATOM 1424 CA LYS A 96 3.860 10.552 9.492 1.00 0.00 C ATOM 1425 C LYS A 96 3.135 10.012 10.720 1.00 0.00 C ATOM 1426 O LYS A 96 2.614 10.778 11.530 1.00 0.00 O ATOM 1427 CB LYS A 96 3.474 12.015 9.261 1.00 0.00 C ATOM 1428 CG LYS A 96 4.485 12.787 8.430 1.00 0.00 C ATOM 1429 CD LYS A 96 4.168 14.273 8.405 1.00 0.00 C ATOM 1430 CE LYS A 96 2.746 14.531 7.932 1.00 0.00 C ATOM 1431 NZ LYS A 96 2.437 15.987 7.874 1.00 0.00 N ATOM 0 H LYS A 96 4.354 9.296 7.887 1.00 0.00 H new ATOM 0 HA LYS A 96 4.934 10.489 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.504 12.052 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.357 12.508 10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.484 12.634 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.493 12.399 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.303 14.692 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.870 14.785 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.606 14.090 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.044 14.037 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.873 16.189 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.898 16.262 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.324 16.529 7.837 1.00 0.00 H new ATOM 1445 N GLU A 97 3.107 8.690 10.851 1.00 0.00 N ATOM 1446 CA GLU A 97 2.446 8.049 11.982 1.00 0.00 C ATOM 1447 C GLU A 97 0.945 8.320 11.960 1.00 0.00 C ATOM 1448 O GLU A 97 0.319 8.490 13.006 1.00 0.00 O ATOM 1449 CB GLU A 97 3.046 8.544 13.300 1.00 0.00 C ATOM 1450 CG GLU A 97 4.536 8.277 13.429 1.00 0.00 C ATOM 1451 CD GLU A 97 5.239 9.302 14.297 1.00 0.00 C ATOM 1452 OE1 GLU A 97 4.910 10.501 14.186 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.120 8.904 15.089 1.00 0.00 O ATOM 0 H GLU A 97 3.534 8.042 10.189 1.00 0.00 H new ATOM 0 HA GLU A 97 2.605 6.974 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.868 9.616 13.390 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.526 8.064 14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.688 7.284 13.851 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.988 8.275 12.437 1.00 0.00 H new ATOM 1460 N GLN A 98 0.374 8.360 10.760 1.00 0.00 N ATOM 1461 CA GLN A 98 -1.053 8.612 10.602 1.00 0.00 C ATOM 1462 C GLN A 98 -1.623 7.803 9.442 1.00 0.00 C ATOM 1463 O GLN A 98 -1.163 7.918 8.305 1.00 0.00 O ATOM 1464 CB GLN A 98 -1.307 10.103 10.372 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.833 10.984 11.517 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.973 12.462 11.212 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.939 13.104 11.626 1.00 0.00 O ATOM 1468 NE2 GLN A 98 -0.007 13.012 10.485 1.00 0.00 N ATOM 0 H GLN A 98 0.878 8.221 9.884 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.555 8.302 11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.805 10.412 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.375 10.262 10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.405 10.746 12.414 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.211 10.759 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.776 12.443 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.048 14.004 10.249 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.628 6.983 9.736 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.262 6.154 8.716 1.00 0.00 C ATOM 1479 C HIS A 99 -3.989 7.017 7.690 1.00 0.00 C ATOM 1480 O HIS A 99 -5.058 7.562 7.967 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.241 5.174 9.362 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.360 5.844 10.099 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.580 5.242 10.325 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.438 7.071 10.665 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.360 6.070 10.996 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.691 7.188 11.215 1.00 0.00 N ATOM 0 H HIS A 99 -3.020 6.875 10.671 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.482 5.591 8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.660 4.530 8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.696 4.531 10.053 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.659 7.819 10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.373 5.868 11.312 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.047 8.005 11.712 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.403 7.137 6.503 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.995 7.933 5.434 1.00 0.00 C ATOM 1497 C VAL A 100 -5.424 7.488 5.144 1.00 0.00 C ATOM 1498 O VAL A 100 -5.953 6.598 5.810 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.167 7.840 4.139 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.719 8.226 4.402 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.255 6.439 3.551 1.00 0.00 C ATOM 0 H VAL A 100 -2.518 6.693 6.257 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.002 8.967 5.777 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.579 8.541 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.149 8.154 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.677 9.249 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.292 7.551 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.664 6.391 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.869 5.717 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.295 6.204 3.324 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.042 8.112 4.147 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.410 7.779 3.769 1.00 0.00 C ATOM 1513 C GLN A 101 -7.477 6.395 3.131 1.00 0.00 C ATOM 1514 O GLN A 101 -6.567 5.988 2.410 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.964 8.827 2.802 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.308 8.450 2.201 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.171 7.631 0.933 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -8.173 6.939 0.732 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.177 7.705 0.068 1.00 0.00 N ATOM 0 H GLN A 101 -5.617 8.851 3.586 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.019 7.772 4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.064 9.777 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.246 8.982 1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.884 7.885 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.872 9.357 1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.986 8.291 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.141 7.175 -0.803 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.562 5.676 3.401 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.728 4.346 2.846 1.00 0.00 C ATOM 1530 C GLY A 102 -7.593 3.414 3.224 1.00 0.00 C ATOM 1531 O GLY A 102 -7.110 2.644 2.394 1.00 0.00 O ATOM 0 H GLY A 102 -9.329 5.991 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.671 3.925 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.792 4.414 1.760 1.00 0.00 H new ATOM 1535 N SER A 103 -7.165 3.485 4.481 1.00 0.00 N ATOM 1536 CA SER A 103 -6.075 2.646 4.966 1.00 0.00 C ATOM 1537 C SER A 103 -6.008 2.670 6.490 1.00 0.00 C ATOM 1538 O SER A 103 -6.334 3.666 7.135 1.00 0.00 O ATOM 1539 CB SER A 103 -4.743 3.113 4.378 1.00 0.00 C ATOM 1540 OG SER A 103 -4.554 2.600 3.070 1.00 0.00 O ATOM 0 H SER A 103 -7.556 4.115 5.182 1.00 0.00 H new ATOM 0 HA SER A 103 -6.266 1.622 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.716 4.202 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.925 2.789 5.021 1.00 0.00 H new ATOM 0 HG SER A 103 -5.426 2.455 2.647 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.576 1.546 7.080 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.186 0.353 6.321 1.00 0.00 C ATOM 1548 C PRO A 104 -6.379 -0.333 5.667 1.00 0.00 C ATOM 1549 O PRO A 104 -7.529 -0.070 6.019 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.563 -0.555 7.384 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.192 -0.126 8.665 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.434 1.352 8.533 1.00 0.00 C ATOM 0 HA PRO A 104 -4.512 0.595 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.766 -1.605 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.480 -0.440 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.126 -0.660 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.539 -0.341 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.331 1.662 9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.605 1.933 8.937 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.099 -1.215 4.713 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.150 -1.940 4.009 1.00 0.00 C ATOM 1562 C PHE A 105 -6.812 -3.424 3.904 1.00 0.00 C ATOM 1563 O PHE A 105 -5.646 -3.814 3.981 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.356 -1.352 2.611 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.125 -1.402 1.752 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.781 -2.563 1.078 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.311 -0.289 1.620 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.649 -2.612 0.287 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.178 -0.332 0.830 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.845 -1.496 0.164 1.00 0.00 C ATOM 0 H PHE A 105 -5.153 -1.445 4.410 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.073 -1.836 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.159 -1.894 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.681 -0.316 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.405 -3.440 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.565 0.623 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.393 -3.522 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.553 0.544 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.958 -1.533 -0.451 1.00 0.00 H new ATOM 1580 N THR A 106 -7.839 -4.248 3.727 1.00 0.00 N ATOM 1581 CA THR A 106 -7.653 -5.689 3.613 1.00 0.00 C ATOM 1582 C THR A 106 -7.435 -6.102 2.162 1.00 0.00 C ATOM 1583 O THR A 106 -7.826 -5.390 1.237 1.00 0.00 O ATOM 1584 CB THR A 106 -8.861 -6.459 4.178 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.297 -5.857 5.402 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.508 -7.918 4.422 1.00 0.00 C ATOM 0 H THR A 106 -8.810 -3.942 3.659 1.00 0.00 H new ATOM 0 HA THR A 106 -6.767 -5.940 4.197 1.00 0.00 H new ATOM 0 HB THR A 106 -9.666 -6.415 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.066 -6.351 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.377 -8.441 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.205 -8.381 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.688 -7.979 5.137 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.808 -7.258 1.968 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.539 -7.767 0.628 1.00 0.00 C ATOM 1596 C VAL A 107 -6.689 -9.284 0.577 1.00 0.00 C ATOM 1597 O VAL A 107 -6.167 -10.001 1.431 1.00 0.00 O ATOM 1598 CB VAL A 107 -5.124 -7.386 0.156 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.780 -8.108 -1.137 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -5.009 -5.879 -0.019 1.00 0.00 C ATOM 0 H VAL A 107 -6.477 -7.860 2.722 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.271 -7.309 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.410 -7.696 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.776 -7.826 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.820 -9.185 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.497 -7.831 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.002 -5.627 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.732 -5.543 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.210 -5.386 0.932 1.00 0.00 H new ATOM 1610 N THR A 108 -7.405 -9.768 -0.433 1.00 0.00 N ATOM 1611 CA THR A 108 -7.625 -11.200 -0.597 1.00 0.00 C ATOM 1612 C THR A 108 -6.649 -11.793 -1.607 1.00 0.00 C ATOM 1613 O THR A 108 -6.746 -11.533 -2.806 1.00 0.00 O ATOM 1614 CB THR A 108 -9.065 -11.499 -1.055 1.00 0.00 C ATOM 1615 OG1 THR A 108 -10.000 -10.931 -0.131 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.298 -12.998 -1.163 1.00 0.00 C ATOM 0 H THR A 108 -7.843 -9.189 -1.150 1.00 0.00 H new ATOM 0 HA THR A 108 -7.460 -11.659 0.378 1.00 0.00 H new ATOM 0 HB THR A 108 -9.210 -11.053 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.913 -11.124 -0.430 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.322 -13.185 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.604 -13.423 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.136 -13.462 -0.190 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.709 -12.594 -1.115 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.716 -13.226 -1.975 1.00 0.00 C ATOM 1626 C VAL A 109 -5.198 -14.589 -2.460 1.00 0.00 C ATOM 1627 O VAL A 109 -5.682 -15.404 -1.674 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.370 -13.399 -1.246 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.409 -14.224 -2.088 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.769 -12.043 -0.909 1.00 0.00 C ATOM 0 H VAL A 109 -5.615 -12.820 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.574 -12.568 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.548 -13.934 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.464 -14.336 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.840 -15.208 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.234 -13.720 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.819 -12.184 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.604 -11.480 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.453 -11.492 -0.263 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.062 -14.830 -3.760 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.484 -16.095 -4.351 1.00 0.00 C ATOM 1642 C ARG A 110 -4.279 -16.901 -4.827 1.00 0.00 C ATOM 1643 O ARG A 110 -3.170 -16.376 -4.931 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.437 -15.842 -5.520 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.420 -14.710 -5.272 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.685 -15.211 -4.593 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.603 -14.120 -4.274 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.683 -14.267 -3.514 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.978 -15.452 -2.999 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -11.469 -13.227 -3.269 1.00 0.00 N ATOM 0 H ARG A 110 -4.663 -14.166 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.004 -16.671 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.852 -15.615 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.994 -16.756 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.950 -13.948 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.677 -14.236 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.186 -15.928 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.420 -15.741 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.404 -13.195 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.375 -16.254 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.808 -15.562 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.245 -12.314 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.298 -13.340 -2.686 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.505 -18.179 -5.113 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.438 -19.058 -5.576 1.00 0.00 C ATOM 1666 C ARG A 111 -2.681 -18.428 -6.741 1.00 0.00 C ATOM 1667 O ARG A 111 -3.098 -17.406 -7.286 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.011 -20.412 -5.998 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.716 -20.381 -7.345 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.202 -20.099 -7.189 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.928 -21.255 -6.669 1.00 0.00 N ATOM 1672 CZ ARG A 111 -7.120 -22.373 -7.360 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -6.642 -22.486 -8.592 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -7.791 -23.382 -6.819 1.00 0.00 N ATOM 0 H ARG A 111 -5.417 -18.629 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.741 -19.207 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.203 -21.143 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.713 -20.753 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.264 -19.616 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.577 -21.336 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.341 -19.252 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.620 -19.813 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.308 -21.201 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.125 -21.713 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.791 -23.346 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.160 -23.299 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.938 -24.240 -7.351 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.566 -19.045 -7.118 1.00 0.00 N ATOM 1689 CA LYS A 112 -0.751 -18.546 -8.219 1.00 0.00 C ATOM 1690 C LYS A 112 -1.617 -18.205 -9.428 1.00 0.00 C ATOM 1691 O LYS A 112 -2.824 -18.451 -9.428 1.00 0.00 O ATOM 1692 CB LYS A 112 0.304 -19.583 -8.611 1.00 0.00 C ATOM 1693 CG LYS A 112 1.593 -19.470 -7.815 1.00 0.00 C ATOM 1694 CD LYS A 112 1.539 -20.302 -6.545 1.00 0.00 C ATOM 1695 CE LYS A 112 1.990 -21.733 -6.795 1.00 0.00 C ATOM 1696 NZ LYS A 112 1.533 -22.655 -5.719 1.00 0.00 N ATOM 0 H LYS A 112 -1.206 -19.892 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.252 -17.637 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.111 -20.581 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.531 -19.475 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.431 -19.797 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.774 -18.426 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.173 -19.847 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.522 -20.303 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.601 -22.074 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.077 -21.764 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.861 -23.620 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.925 -22.345 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.494 -22.645 -5.671 1.00 0.00 H new ATOM 1710 N HIS A 113 -0.994 -17.640 -10.457 1.00 0.00 N ATOM 1711 CA HIS A 113 -1.709 -17.267 -11.673 1.00 0.00 C ATOM 1712 C HIS A 113 -1.755 -18.435 -12.654 1.00 0.00 C ATOM 1713 O HIS A 113 -2.825 -18.814 -13.131 1.00 0.00 O ATOM 1714 CB HIS A 113 -1.043 -16.059 -12.331 1.00 0.00 C ATOM 1715 CG HIS A 113 0.380 -16.302 -12.729 1.00 0.00 C ATOM 1716 ND1 HIS A 113 0.735 -16.993 -13.869 1.00 0.00 N ATOM 1717 CD2 HIS A 113 1.541 -15.941 -12.133 1.00 0.00 C ATOM 1718 CE1 HIS A 113 2.052 -17.047 -13.955 1.00 0.00 C ATOM 1719 NE2 HIS A 113 2.565 -16.416 -12.915 1.00 0.00 N ATOM 0 H HIS A 113 0.004 -17.430 -10.474 1.00 0.00 H new ATOM 0 HA HIS A 113 -2.731 -17.004 -11.399 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -1.615 -15.776 -13.214 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.080 -15.215 -11.643 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.643 -15.383 -11.214 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.614 -17.526 -14.743 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.560 -16.300 -12.723 1.00 0.00 H new TER 1728 HIS A 113