USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 739 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 17 LYS NZ :NH3+ -143:sc= -1.4! (180deg=-3.47) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= -0.104 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 6 SER OG : rot 28:sc= 0.176 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0.0559 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00784 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= -0.145 (180deg=-0.994) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.691 K(o=-0.69,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.424 K(o=-0.42,f=-1) USER MOD Single : A 36 SER OG : rot -137:sc= 1.16 USER MOD Single : A 37 CYS SG : rot 150:sc= -0.394 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -41:sc= 0.238 USER MOD Single : A 59 THR OG1 : rot 47:sc= 0.0928 USER MOD Single : A 60 HIS : no HE2:sc= 0.519 K(o=0.52,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.999) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.641 K(o=-0.64,f=-0.035) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 90 TYR OH : rot 170:sc= 1.3 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 133:sc= 0.0943 USER MOD Single : A 101 ASN : amide:sc= 1.19 K(o=1.2,f=-0.052) USER MOD Single : A 102 GLN : amide:sc= 1.3 K(o=1.3,f=-0.0095) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 151:sc= 2.03 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -7.774 -12.477 -13.044 1.00 1.12 N ATOM 64 CA SER A 6 -7.546 -12.448 -11.628 1.00 0.10 C ATOM 65 C SER A 6 -6.869 -13.761 -11.239 1.00 1.22 C ATOM 66 O SER A 6 -7.467 -14.646 -10.633 1.00 24.50 O ATOM 67 CB SER A 6 -8.881 -12.184 -10.921 1.00 75.12 C ATOM 68 OG SER A 6 -9.520 -11.017 -11.430 1.00 52.21 O ATOM 0 HA SER A 6 -6.879 -11.643 -11.319 1.00 0.10 H new ATOM 0 HB2 SER A 6 -9.538 -13.045 -11.049 1.00 75.12 H new ATOM 0 HB3 SER A 6 -8.710 -12.069 -9.851 1.00 75.12 H new ATOM 0 HG SER A 6 -9.250 -10.876 -12.362 1.00 52.21 H new ATOM 73 N ASP A 7 -5.596 -13.895 -11.602 1.00 21.43 N ATOM 74 CA ASP A 7 -4.832 -15.162 -11.574 1.00 55.43 C ATOM 75 C ASP A 7 -3.517 -15.037 -10.808 1.00 32.54 C ATOM 76 O ASP A 7 -2.610 -15.862 -10.916 1.00 32.22 O ATOM 77 CB ASP A 7 -4.562 -15.603 -13.011 1.00 51.42 C ATOM 78 CG ASP A 7 -4.693 -17.117 -13.219 1.00 60.21 C ATOM 79 OD1 ASP A 7 -4.047 -17.942 -12.526 1.00 71.14 O ATOM 80 OD2 ASP A 7 -5.455 -17.497 -14.140 1.00 32.52 O ATOM 0 H ASP A 7 -5.041 -13.107 -11.936 1.00 21.43 H new ATOM 0 HA ASP A 7 -5.430 -15.906 -11.049 1.00 55.43 H new ATOM 0 HB2 ASP A 7 -5.257 -15.091 -13.677 1.00 51.42 H new ATOM 0 HB3 ASP A 7 -3.558 -15.290 -13.296 1.00 51.42 H new ATOM 84 N THR A 8 -3.374 -13.944 -10.083 1.00 14.23 N ATOM 85 CA THR A 8 -2.256 -13.704 -9.176 1.00 60.33 C ATOM 86 C THR A 8 -2.121 -14.844 -8.137 1.00 74.53 C ATOM 87 O THR A 8 -3.128 -15.460 -7.768 1.00 74.31 O ATOM 88 CB THR A 8 -2.443 -12.334 -8.493 1.00 72.21 C ATOM 89 OG1 THR A 8 -3.810 -12.047 -8.265 1.00 72.41 O ATOM 90 CG2 THR A 8 -1.904 -11.186 -9.345 1.00 41.21 C ATOM 0 H THR A 8 -4.046 -13.177 -10.105 1.00 14.23 H new ATOM 0 HA THR A 8 -1.328 -13.690 -9.747 1.00 60.33 H new ATOM 0 HB THR A 8 -1.893 -12.408 -7.555 1.00 72.21 H new ATOM 0 HG1 THR A 8 -3.913 -11.624 -7.387 1.00 72.41 H new ATOM 0 HG21 THR A 8 -2.058 -10.242 -8.823 1.00 41.21 H new ATOM 0 HG22 THR A 8 -0.839 -11.333 -9.522 1.00 41.21 H new ATOM 0 HG23 THR A 8 -2.430 -11.163 -10.299 1.00 41.21 H new ATOM 98 N PRO A 9 -0.911 -15.088 -7.602 1.00 62.25 N ATOM 99 CA PRO A 9 -0.672 -16.001 -6.481 1.00 21.30 C ATOM 100 C PRO A 9 -1.346 -15.522 -5.188 1.00 0.22 C ATOM 101 O PRO A 9 -1.819 -14.383 -5.102 1.00 15.44 O ATOM 102 CB PRO A 9 0.851 -16.093 -6.358 1.00 61.22 C ATOM 103 CG PRO A 9 1.348 -14.781 -6.957 1.00 3.02 C ATOM 104 CD PRO A 9 0.330 -14.474 -8.041 1.00 2.20 C ATOM 0 HA PRO A 9 -1.112 -16.982 -6.658 1.00 21.30 H new ATOM 0 HB2 PRO A 9 1.162 -16.201 -5.319 1.00 61.22 H new ATOM 0 HB3 PRO A 9 1.244 -16.954 -6.899 1.00 61.22 H new ATOM 0 HG2 PRO A 9 1.388 -13.989 -6.209 1.00 3.02 H new ATOM 0 HG3 PRO A 9 2.352 -14.883 -7.368 1.00 3.02 H new ATOM 0 HD2 PRO A 9 0.210 -13.399 -8.171 1.00 2.20 H new ATOM 0 HD3 PRO A 9 0.648 -14.878 -9.002 1.00 2.20 H new ATOM 109 N LYS A 10 -1.391 -16.381 -4.165 1.00 0.04 N ATOM 110 CA LYS A 10 -1.939 -16.042 -2.846 1.00 32.33 C ATOM 111 C LYS A 10 -0.808 -15.857 -1.854 1.00 42.45 C ATOM 112 O LYS A 10 0.189 -16.580 -1.903 1.00 43.21 O ATOM 113 CB LYS A 10 -2.918 -17.112 -2.355 1.00 1.32 C ATOM 114 CG LYS A 10 -4.248 -17.013 -3.123 1.00 55.11 C ATOM 115 CD LYS A 10 -4.548 -18.283 -3.911 1.00 54.04 C ATOM 116 CE LYS A 10 -5.144 -19.345 -2.982 1.00 72.23 C ATOM 117 NZ LYS A 10 -5.156 -20.675 -3.615 1.00 73.55 N ATOM 0 H LYS A 10 -1.046 -17.339 -4.228 1.00 0.04 H new ATOM 0 HA LYS A 10 -2.494 -15.108 -2.935 1.00 32.33 H new ATOM 0 HB2 LYS A 10 -2.484 -18.102 -2.493 1.00 1.32 H new ATOM 0 HB3 LYS A 10 -3.097 -16.988 -1.287 1.00 1.32 H new ATOM 0 HG2 LYS A 10 -5.059 -16.822 -2.420 1.00 55.11 H new ATOM 0 HG3 LYS A 10 -4.211 -16.163 -3.805 1.00 55.11 H new ATOM 0 HD2 LYS A 10 -5.244 -18.063 -4.720 1.00 54.04 H new ATOM 0 HD3 LYS A 10 -3.634 -18.661 -4.370 1.00 54.04 H new ATOM 0 HE2 LYS A 10 -4.567 -19.386 -2.058 1.00 72.23 H new ATOM 0 HE3 LYS A 10 -6.161 -19.062 -2.710 1.00 72.23 H new ATOM 0 HZ1 LYS A 10 -5.566 -21.369 -2.958 1.00 73.55 H new ATOM 0 HZ2 LYS A 10 -5.727 -20.641 -4.483 1.00 73.55 H new ATOM 0 HZ3 LYS A 10 -4.183 -20.956 -3.852 1.00 73.55 H new ATOM 127 N VAL A 11 -0.940 -14.836 -1.010 1.00 61.35 N ATOM 128 CA VAL A 11 0.096 -14.419 -0.079 1.00 20.10 C ATOM 129 C VAL A 11 0.243 -15.495 0.998 1.00 41.34 C ATOM 130 O VAL A 11 -0.758 -15.917 1.586 1.00 62.54 O ATOM 131 CB VAL A 11 -0.269 -13.043 0.513 1.00 31.41 C ATOM 132 CG1 VAL A 11 0.742 -12.580 1.562 1.00 72.42 C ATOM 133 CG2 VAL A 11 -0.332 -11.959 -0.574 1.00 72.43 C ATOM 0 H VAL A 11 -1.786 -14.268 -0.956 1.00 61.35 H new ATOM 0 HA VAL A 11 1.056 -14.309 -0.583 1.00 20.10 H new ATOM 0 HB VAL A 11 -1.247 -13.175 0.975 1.00 31.41 H new ATOM 0 HG11 VAL A 11 0.443 -11.606 1.950 1.00 72.42 H new ATOM 0 HG12 VAL A 11 0.776 -13.302 2.378 1.00 72.42 H new ATOM 0 HG13 VAL A 11 1.729 -12.501 1.106 1.00 72.42 H new ATOM 0 HG21 VAL A 11 -0.592 -11.003 -0.120 1.00 72.43 H new ATOM 0 HG22 VAL A 11 0.639 -11.877 -1.062 1.00 72.43 H new ATOM 0 HG23 VAL A 11 -1.088 -12.227 -1.312 1.00 72.43 H new ATOM 143 N THR A 12 1.478 -15.894 1.290 1.00 14.13 N ATOM 144 CA THR A 12 1.823 -16.965 2.217 1.00 52.23 C ATOM 145 C THR A 12 2.742 -16.515 3.350 1.00 20.44 C ATOM 146 O THR A 12 3.101 -17.351 4.188 1.00 52.21 O ATOM 147 CB THR A 12 2.396 -18.153 1.436 1.00 11.24 C ATOM 148 OG1 THR A 12 3.389 -17.737 0.522 1.00 42.23 O ATOM 149 CG2 THR A 12 1.274 -18.851 0.677 1.00 35.53 C ATOM 0 H THR A 12 2.300 -15.461 0.869 1.00 14.13 H new ATOM 0 HA THR A 12 0.907 -17.280 2.717 1.00 52.23 H new ATOM 0 HB THR A 12 2.853 -18.839 2.149 1.00 11.24 H new ATOM 0 HG1 THR A 12 3.737 -18.516 0.040 1.00 42.23 H new ATOM 0 HG21 THR A 12 1.681 -19.696 0.122 1.00 35.53 H new ATOM 0 HG22 THR A 12 0.524 -19.208 1.383 1.00 35.53 H new ATOM 0 HG23 THR A 12 0.813 -18.149 -0.017 1.00 35.53 H new ATOM 157 N GLY A 13 3.082 -15.228 3.422 1.00 0.32 N ATOM 158 CA GLY A 13 3.715 -14.614 4.582 1.00 40.32 C ATOM 159 C GLY A 13 3.549 -13.102 4.526 1.00 54.15 C ATOM 160 O GLY A 13 3.552 -12.535 3.431 1.00 13.32 O ATOM 0 H GLY A 13 2.920 -14.572 2.658 1.00 0.32 H new ATOM 0 HA2 GLY A 13 3.270 -15.003 5.498 1.00 40.32 H new ATOM 0 HA3 GLY A 13 4.774 -14.871 4.607 1.00 40.32 H new ATOM 164 N LEU A 14 3.406 -12.462 5.694 1.00 63.31 N ATOM 165 CA LEU A 14 3.213 -11.022 5.856 1.00 20.21 C ATOM 166 C LEU A 14 3.952 -10.562 7.114 1.00 22.44 C ATOM 167 O LEU A 14 3.490 -10.837 8.229 1.00 35.13 O ATOM 168 CB LEU A 14 1.717 -10.664 5.966 1.00 24.34 C ATOM 169 CG LEU A 14 0.930 -10.729 4.648 1.00 33.43 C ATOM 170 CD1 LEU A 14 -0.583 -10.698 4.887 1.00 54.43 C ATOM 171 CD2 LEU A 14 1.291 -9.538 3.763 1.00 73.13 C ATOM 0 H LEU A 14 3.423 -12.957 6.586 1.00 63.31 H new ATOM 0 HA LEU A 14 3.611 -10.515 4.977 1.00 20.21 H new ATOM 0 HB2 LEU A 14 1.250 -11.339 6.683 1.00 24.34 H new ATOM 0 HB3 LEU A 14 1.630 -9.657 6.373 1.00 24.34 H new ATOM 0 HG LEU A 14 1.196 -11.668 4.164 1.00 33.43 H new ATOM 0 HD11 LEU A 14 -1.104 -10.746 3.930 1.00 54.43 H new ATOM 0 HD12 LEU A 14 -0.872 -11.551 5.500 1.00 54.43 H new ATOM 0 HD13 LEU A 14 -0.851 -9.775 5.400 1.00 54.43 H new ATOM 0 HD21 LEU A 14 0.728 -9.593 2.831 1.00 73.13 H new ATOM 0 HD22 LEU A 14 1.045 -8.611 4.282 1.00 73.13 H new ATOM 0 HD23 LEU A 14 2.359 -9.558 3.544 1.00 73.13 H new ATOM 182 N LYS A 15 5.093 -9.886 6.952 1.00 52.42 N ATOM 183 CA LYS A 15 5.939 -9.400 8.041 1.00 53.44 C ATOM 184 C LYS A 15 5.970 -7.884 8.021 1.00 2.01 C ATOM 185 O LYS A 15 5.768 -7.265 6.981 1.00 40.03 O ATOM 186 CB LYS A 15 7.367 -9.964 7.893 1.00 4.40 C ATOM 187 CG LYS A 15 7.684 -11.102 8.873 1.00 55.43 C ATOM 188 CD LYS A 15 7.671 -10.726 10.358 1.00 4.12 C ATOM 189 CE LYS A 15 8.726 -9.662 10.666 1.00 73.11 C ATOM 190 NZ LYS A 15 8.690 -9.216 12.072 1.00 51.34 N ATOM 0 H LYS A 15 5.463 -9.656 6.030 1.00 52.42 H new ATOM 0 HA LYS A 15 5.529 -9.736 8.993 1.00 53.44 H new ATOM 0 HB2 LYS A 15 7.502 -10.326 6.874 1.00 4.40 H new ATOM 0 HB3 LYS A 15 8.084 -9.157 8.042 1.00 4.40 H new ATOM 0 HG2 LYS A 15 6.963 -11.904 8.714 1.00 55.43 H new ATOM 0 HG3 LYS A 15 8.667 -11.504 8.628 1.00 55.43 H new ATOM 0 HD2 LYS A 15 6.684 -10.354 10.634 1.00 4.12 H new ATOM 0 HD3 LYS A 15 7.858 -11.613 10.963 1.00 4.12 H new ATOM 0 HE2 LYS A 15 9.715 -10.061 10.441 1.00 73.11 H new ATOM 0 HE3 LYS A 15 8.572 -8.803 10.012 1.00 73.11 H new ATOM 0 HZ1 LYS A 15 9.424 -8.496 12.227 1.00 51.34 H new ATOM 0 HZ2 LYS A 15 7.756 -8.810 12.283 1.00 51.34 H new ATOM 0 HZ3 LYS A 15 8.864 -10.028 12.698 1.00 51.34 H new ATOM 200 N LEU A 16 6.286 -7.281 9.165 1.00 41.21 N ATOM 201 CA LEU A 16 6.398 -5.834 9.297 1.00 63.25 C ATOM 202 C LEU A 16 7.804 -5.462 9.730 1.00 21.40 C ATOM 203 O LEU A 16 8.453 -6.207 10.467 1.00 30.43 O ATOM 204 CB LEU A 16 5.369 -5.281 10.305 1.00 2.01 C ATOM 205 CG LEU A 16 4.119 -4.649 9.693 1.00 25.50 C ATOM 206 CD1 LEU A 16 4.488 -3.450 8.818 1.00 4.44 C ATOM 207 CD2 LEU A 16 3.306 -5.692 8.923 1.00 74.13 C ATOM 0 H LEU A 16 6.472 -7.788 10.030 1.00 41.21 H new ATOM 0 HA LEU A 16 6.188 -5.388 8.325 1.00 63.25 H new ATOM 0 HB2 LEU A 16 5.059 -6.093 10.963 1.00 2.01 H new ATOM 0 HB3 LEU A 16 5.863 -4.536 10.929 1.00 2.01 H new ATOM 0 HG LEU A 16 3.488 -4.277 10.500 1.00 25.50 H new ATOM 0 HD11 LEU A 16 3.582 -3.017 8.393 1.00 4.44 H new ATOM 0 HD12 LEU A 16 4.999 -2.701 9.423 1.00 4.44 H new ATOM 0 HD13 LEU A 16 5.146 -3.776 8.013 1.00 4.44 H new ATOM 0 HD21 LEU A 16 2.421 -5.221 8.496 1.00 74.13 H new ATOM 0 HD22 LEU A 16 3.916 -6.111 8.123 1.00 74.13 H new ATOM 0 HD23 LEU A 16 3.001 -6.489 9.601 1.00 74.13 H new ATOM 218 N LYS A 17 8.221 -4.265 9.316 1.00 54.14 N ATOM 219 CA LYS A 17 9.415 -3.576 9.786 1.00 54.22 C ATOM 220 C LYS A 17 9.023 -2.134 10.093 1.00 22.30 C ATOM 221 O LYS A 17 9.177 -1.252 9.245 1.00 52.02 O ATOM 222 CB LYS A 17 10.609 -3.712 8.814 1.00 52.03 C ATOM 223 CG LYS A 17 10.300 -3.428 7.331 1.00 64.42 C ATOM 224 CD LYS A 17 10.043 -4.700 6.518 1.00 60.14 C ATOM 225 CE LYS A 17 11.383 -5.352 6.121 1.00 61.33 C ATOM 226 NZ LYS A 17 11.692 -5.339 4.671 1.00 21.12 N ATOM 0 H LYS A 17 7.711 -3.729 8.614 1.00 54.14 H new ATOM 0 HA LYS A 17 9.785 -4.043 10.699 1.00 54.22 H new ATOM 0 HB2 LYS A 17 11.397 -3.032 9.138 1.00 52.03 H new ATOM 0 HB3 LYS A 17 11.007 -4.723 8.896 1.00 52.03 H new ATOM 0 HG2 LYS A 17 9.427 -2.779 7.266 1.00 64.42 H new ATOM 0 HG3 LYS A 17 11.135 -2.884 6.890 1.00 64.42 H new ATOM 0 HD2 LYS A 17 9.447 -5.401 7.103 1.00 60.14 H new ATOM 0 HD3 LYS A 17 9.467 -4.460 5.624 1.00 60.14 H new ATOM 0 HE2 LYS A 17 12.187 -4.841 6.651 1.00 61.33 H new ATOM 0 HE3 LYS A 17 11.380 -6.386 6.465 1.00 61.33 H new ATOM 0 HZ1 LYS A 17 12.168 -6.226 4.410 1.00 21.12 H new ATOM 0 HZ2 LYS A 17 10.809 -5.247 4.129 1.00 21.12 H new ATOM 0 HZ3 LYS A 17 12.315 -4.535 4.456 1.00 21.12 H new ATOM 236 N ARG A 18 8.515 -1.872 11.306 1.00 61.53 N ATOM 237 CA ARG A 18 8.177 -0.511 11.751 1.00 62.42 C ATOM 238 C ARG A 18 9.347 0.449 11.569 1.00 53.21 C ATOM 239 O ARG A 18 9.136 1.612 11.235 1.00 54.01 O ATOM 240 CB ARG A 18 7.660 -0.496 13.203 1.00 74.35 C ATOM 241 CG ARG A 18 8.714 -0.692 14.314 1.00 73.25 C ATOM 242 CD ARG A 18 8.027 -1.122 15.619 1.00 45.43 C ATOM 243 NE ARG A 18 8.956 -1.146 16.765 1.00 25.50 N ATOM 244 CZ ARG A 18 8.704 -1.685 17.966 1.00 25.24 C ATOM 245 NH1 ARG A 18 7.498 -2.181 18.244 1.00 1.41 N ATOM 246 NH2 ARG A 18 9.663 -1.740 18.885 1.00 51.35 N ATOM 0 H ARG A 18 8.327 -2.593 12.003 1.00 61.53 H new ATOM 0 HA ARG A 18 7.365 -0.161 11.113 1.00 62.42 H new ATOM 0 HB2 ARG A 18 7.156 0.455 13.375 1.00 74.35 H new ATOM 0 HB3 ARG A 18 6.908 -1.278 13.305 1.00 74.35 H new ATOM 0 HG2 ARG A 18 9.440 -1.446 14.010 1.00 73.25 H new ATOM 0 HG3 ARG A 18 9.265 0.235 14.472 1.00 73.25 H new ATOM 0 HD2 ARG A 18 7.206 -0.439 15.836 1.00 45.43 H new ATOM 0 HD3 ARG A 18 7.592 -2.113 15.487 1.00 45.43 H new ATOM 0 HE ARG A 18 9.871 -0.714 16.632 1.00 25.50 H new ATOM 0 HH11 ARG A 18 6.760 -2.152 17.541 1.00 1.41 H new ATOM 0 HH12 ARG A 18 7.313 -2.590 19.160 1.00 1.41 H new ATOM 0 HH21 ARG A 18 10.591 -1.372 18.676 1.00 51.35 H new ATOM 0 HH22 ARG A 18 9.471 -2.150 19.799 1.00 51.35 H new ATOM 257 N LYS A 19 10.561 -0.092 11.707 1.00 51.42 N ATOM 258 CA LYS A 19 11.847 0.568 11.568 1.00 34.43 C ATOM 259 C LYS A 19 11.944 1.454 10.331 1.00 1.20 C ATOM 260 O LYS A 19 12.375 2.596 10.419 1.00 50.13 O ATOM 261 CB LYS A 19 12.943 -0.504 11.543 1.00 63.15 C ATOM 262 CG LYS A 19 12.970 -1.389 12.802 1.00 31.10 C ATOM 263 CD LYS A 19 14.392 -1.598 13.331 1.00 74.55 C ATOM 264 CE LYS A 19 14.923 -0.304 13.948 1.00 34.43 C ATOM 265 NZ LYS A 19 15.869 0.425 13.078 1.00 61.23 N ATOM 0 H LYS A 19 10.670 -1.080 11.937 1.00 51.42 H new ATOM 0 HA LYS A 19 11.972 1.235 12.421 1.00 34.43 H new ATOM 0 HB2 LYS A 19 12.800 -1.137 10.667 1.00 63.15 H new ATOM 0 HB3 LYS A 19 13.912 -0.018 11.430 1.00 63.15 H new ATOM 0 HG2 LYS A 19 12.359 -0.931 13.579 1.00 31.10 H new ATOM 0 HG3 LYS A 19 12.523 -2.357 12.574 1.00 31.10 H new ATOM 0 HD2 LYS A 19 14.397 -2.393 14.076 1.00 74.55 H new ATOM 0 HD3 LYS A 19 15.046 -1.917 12.520 1.00 74.55 H new ATOM 0 HE2 LYS A 19 14.082 0.348 14.182 1.00 34.43 H new ATOM 0 HE3 LYS A 19 15.417 -0.538 14.891 1.00 34.43 H new ATOM 0 HZ1 LYS A 19 16.636 0.823 13.656 1.00 61.23 H new ATOM 0 HZ2 LYS A 19 16.269 -0.229 12.375 1.00 61.23 H new ATOM 0 HZ3 LYS A 19 15.369 1.195 12.589 1.00 61.23 H new ATOM 275 N SER A 20 11.527 0.919 9.188 1.00 44.32 N ATOM 276 CA SER A 20 11.509 1.612 7.904 1.00 11.13 C ATOM 277 C SER A 20 10.071 1.803 7.422 1.00 22.32 C ATOM 278 O SER A 20 9.858 2.021 6.237 1.00 51.23 O ATOM 279 CB SER A 20 12.403 0.853 6.912 1.00 72.22 C ATOM 280 OG SER A 20 13.751 1.025 7.330 1.00 72.15 O ATOM 0 H SER A 20 11.181 -0.039 9.128 1.00 44.32 H new ATOM 0 HA SER A 20 11.921 2.616 8.001 1.00 11.13 H new ATOM 0 HB2 SER A 20 12.140 -0.205 6.892 1.00 72.22 H new ATOM 0 HB3 SER A 20 12.264 1.236 5.901 1.00 72.22 H new ATOM 0 HG SER A 20 14.347 0.549 6.715 1.00 72.15 H new ATOM 285 N ARG A 21 9.077 1.685 8.320 1.00 52.25 N ATOM 286 CA ARG A 21 7.646 1.801 8.039 1.00 44.33 C ATOM 287 C ARG A 21 7.248 1.049 6.772 1.00 70.35 C ATOM 288 O ARG A 21 6.569 1.570 5.887 1.00 54.31 O ATOM 289 CB ARG A 21 7.161 3.242 8.164 1.00 24.33 C ATOM 290 CG ARG A 21 7.838 4.219 7.208 1.00 25.40 C ATOM 291 CD ARG A 21 7.099 5.541 7.304 1.00 42.01 C ATOM 292 NE ARG A 21 7.310 6.279 6.054 1.00 41.35 N ATOM 293 CZ ARG A 21 8.378 7.026 5.757 1.00 64.45 C ATOM 294 NH1 ARG A 21 9.065 7.635 6.719 1.00 14.42 N ATOM 295 NH2 ARG A 21 8.767 7.123 4.492 1.00 10.02 N ATOM 0 H ARG A 21 9.264 1.498 9.305 1.00 52.25 H new ATOM 0 HA ARG A 21 7.087 1.280 8.817 1.00 44.33 H new ATOM 0 HB2 ARG A 21 6.085 3.267 7.989 1.00 24.33 H new ATOM 0 HB3 ARG A 21 7.325 3.581 9.187 1.00 24.33 H new ATOM 0 HG2 ARG A 21 8.888 4.347 7.471 1.00 25.40 H new ATOM 0 HG3 ARG A 21 7.810 3.838 6.187 1.00 25.40 H new ATOM 0 HD2 ARG A 21 6.035 5.370 7.469 1.00 42.01 H new ATOM 0 HD3 ARG A 21 7.464 6.119 8.153 1.00 42.01 H new ATOM 0 HE ARG A 21 6.576 6.217 5.348 1.00 41.35 H new ATOM 0 HH11 ARG A 21 8.778 7.534 7.693 1.00 14.42 H new ATOM 0 HH12 ARG A 21 9.879 8.203 6.483 1.00 14.42 H new ATOM 0 HH21 ARG A 21 8.253 6.631 3.761 1.00 10.02 H new ATOM 0 HH22 ARG A 21 9.580 7.689 4.250 1.00 10.02 H new ATOM 306 N GLN A 22 7.672 -0.208 6.696 1.00 44.32 N ATOM 307 CA GLN A 22 7.532 -1.034 5.512 1.00 1.22 C ATOM 308 C GLN A 22 6.905 -2.376 5.896 1.00 44.04 C ATOM 309 O GLN A 22 6.977 -2.796 7.059 1.00 52.24 O ATOM 310 CB GLN A 22 8.918 -1.176 4.857 1.00 51.01 C ATOM 311 CG GLN A 22 9.168 -0.058 3.835 1.00 1.41 C ATOM 312 CD GLN A 22 10.615 0.036 3.360 1.00 15.00 C ATOM 313 OE1 GLN A 22 11.223 1.099 3.351 1.00 60.55 O ATOM 314 NE2 GLN A 22 11.203 -1.056 2.904 1.00 35.53 N ATOM 0 H GLN A 22 8.130 -0.686 7.472 1.00 44.32 H new ATOM 0 HA GLN A 22 6.864 -0.579 4.781 1.00 1.22 H new ATOM 0 HB2 GLN A 22 9.690 -1.149 5.626 1.00 51.01 H new ATOM 0 HB3 GLN A 22 8.992 -2.146 4.364 1.00 51.01 H new ATOM 0 HG2 GLN A 22 8.523 -0.218 2.971 1.00 1.41 H new ATOM 0 HG3 GLN A 22 8.879 0.896 4.277 1.00 1.41 H new ATOM 0 HE21 GLN A 22 10.702 -1.945 2.909 1.00 35.53 H new ATOM 0 HE22 GLN A 22 12.158 -1.010 2.547 1.00 35.53 H new ATOM 321 N LEU A 23 6.328 -3.058 4.908 1.00 75.45 N ATOM 322 CA LEU A 23 5.673 -4.360 5.027 1.00 14.41 C ATOM 323 C LEU A 23 6.243 -5.281 3.978 1.00 32.40 C ATOM 324 O LEU A 23 6.482 -4.847 2.854 1.00 33.44 O ATOM 325 CB LEU A 23 4.130 -4.230 4.882 1.00 72.51 C ATOM 326 CG LEU A 23 3.339 -5.562 4.934 1.00 24.14 C ATOM 327 CD1 LEU A 23 1.937 -5.420 5.538 1.00 13.30 C ATOM 328 CD2 LEU A 23 3.107 -6.147 3.550 1.00 4.14 C ATOM 0 H LEU A 23 6.303 -2.699 3.954 1.00 75.45 H new ATOM 0 HA LEU A 23 5.862 -4.773 6.018 1.00 14.41 H new ATOM 0 HB2 LEU A 23 3.762 -3.578 5.674 1.00 72.51 H new ATOM 0 HB3 LEU A 23 3.912 -3.735 3.935 1.00 72.51 H new ATOM 0 HG LEU A 23 3.967 -6.202 5.554 1.00 24.14 H new ATOM 0 HD11 LEU A 23 1.443 -6.391 5.542 1.00 13.30 H new ATOM 0 HD12 LEU A 23 2.017 -5.049 6.560 1.00 13.30 H new ATOM 0 HD13 LEU A 23 1.353 -4.718 4.942 1.00 13.30 H new ATOM 0 HD21 LEU A 23 2.549 -7.079 3.638 1.00 4.14 H new ATOM 0 HD22 LEU A 23 2.538 -5.439 2.947 1.00 4.14 H new ATOM 0 HD23 LEU A 23 4.067 -6.342 3.072 1.00 4.14 H new ATOM 339 N GLU A 24 6.444 -6.538 4.349 1.00 60.25 N ATOM 340 CA GLU A 24 6.956 -7.583 3.474 1.00 51.12 C ATOM 341 C GLU A 24 5.868 -8.595 3.178 1.00 20.14 C ATOM 342 O GLU A 24 5.020 -8.865 4.033 1.00 61.55 O ATOM 343 CB GLU A 24 8.099 -8.349 4.141 1.00 24.22 C ATOM 344 CG GLU A 24 9.229 -7.412 4.516 1.00 61.23 C ATOM 345 CD GLU A 24 10.461 -8.159 5.014 1.00 22.22 C ATOM 346 OE1 GLU A 24 10.419 -8.702 6.142 1.00 20.11 O ATOM 347 OE2 GLU A 24 11.536 -8.014 4.390 1.00 74.12 O ATOM 0 H GLU A 24 6.250 -6.868 5.294 1.00 60.25 H new ATOM 0 HA GLU A 24 7.304 -7.095 2.564 1.00 51.12 H new ATOM 0 HB2 GLU A 24 7.731 -8.857 5.032 1.00 24.22 H new ATOM 0 HB3 GLU A 24 8.469 -9.120 3.465 1.00 24.22 H new ATOM 0 HG2 GLU A 24 9.499 -6.808 3.650 1.00 61.23 H new ATOM 0 HG3 GLU A 24 8.886 -6.725 5.290 1.00 61.23 H new ATOM 352 N ILE A 25 5.958 -9.180 1.990 1.00 73.33 N ATOM 353 CA ILE A 25 4.984 -10.097 1.409 1.00 40.33 C ATOM 354 C ILE A 25 5.750 -11.259 0.803 1.00 4.00 C ATOM 355 O ILE A 25 6.737 -11.029 0.103 1.00 62.45 O ATOM 356 CB ILE A 25 4.182 -9.359 0.313 1.00 55.43 C ATOM 357 CG1 ILE A 25 3.402 -8.211 0.967 1.00 44.34 C ATOM 358 CG2 ILE A 25 3.205 -10.270 -0.454 1.00 32.54 C ATOM 359 CD1 ILE A 25 2.680 -7.256 0.043 1.00 3.21 C ATOM 0 H ILE A 25 6.754 -9.019 1.373 1.00 73.33 H new ATOM 0 HA ILE A 25 4.288 -10.460 2.165 1.00 40.33 H new ATOM 0 HB ILE A 25 4.899 -8.990 -0.420 1.00 55.43 H new ATOM 0 HG12 ILE A 25 2.668 -8.644 1.647 1.00 44.34 H new ATOM 0 HG13 ILE A 25 4.097 -7.633 1.575 1.00 44.34 H new ATOM 0 HG21 ILE A 25 2.677 -9.685 -1.207 1.00 32.54 H new ATOM 0 HG22 ILE A 25 3.761 -11.071 -0.941 1.00 32.54 H new ATOM 0 HG23 ILE A 25 2.485 -10.700 0.243 1.00 32.54 H new ATOM 0 HD11 ILE A 25 2.170 -6.494 0.633 1.00 3.21 H new ATOM 0 HD12 ILE A 25 3.400 -6.779 -0.622 1.00 3.21 H new ATOM 0 HD13 ILE A 25 1.949 -7.806 -0.549 1.00 3.21 H new ATOM 370 N SER A 26 5.238 -12.474 0.982 1.00 75.42 N ATOM 371 CA SER A 26 5.696 -13.679 0.311 1.00 72.22 C ATOM 372 C SER A 26 4.507 -14.348 -0.366 1.00 52.35 C ATOM 373 O SER A 26 3.370 -14.198 0.089 1.00 73.22 O ATOM 374 CB SER A 26 6.371 -14.559 1.366 1.00 63.33 C ATOM 375 OG SER A 26 6.951 -15.746 0.863 1.00 75.35 O ATOM 0 H SER A 26 4.464 -12.649 1.623 1.00 75.42 H new ATOM 0 HA SER A 26 6.424 -13.473 -0.474 1.00 72.22 H new ATOM 0 HB2 SER A 26 7.145 -13.976 1.865 1.00 63.33 H new ATOM 0 HB3 SER A 26 5.634 -14.824 2.124 1.00 63.33 H new ATOM 0 HG SER A 26 7.361 -16.247 1.599 1.00 75.35 H new ATOM 380 N PHE A 27 4.771 -15.094 -1.435 1.00 32.42 N ATOM 381 CA PHE A 27 3.765 -15.740 -2.270 1.00 11.02 C ATOM 382 C PHE A 27 4.073 -17.221 -2.427 1.00 55.22 C ATOM 383 O PHE A 27 5.242 -17.607 -2.524 1.00 2.24 O ATOM 384 CB PHE A 27 3.755 -15.098 -3.663 1.00 54.13 C ATOM 385 CG PHE A 27 2.902 -13.861 -3.841 1.00 1.40 C ATOM 386 CD1 PHE A 27 1.549 -13.890 -3.475 1.00 40.12 C ATOM 387 CD2 PHE A 27 3.399 -12.738 -4.517 1.00 72.44 C ATOM 388 CE1 PHE A 27 0.695 -12.811 -3.747 1.00 32.40 C ATOM 389 CE2 PHE A 27 2.538 -11.677 -4.825 1.00 13.31 C ATOM 390 CZ PHE A 27 1.191 -11.691 -4.426 1.00 52.43 C ATOM 0 H PHE A 27 5.724 -15.271 -1.754 1.00 32.42 H new ATOM 0 HA PHE A 27 2.795 -15.617 -1.789 1.00 11.02 H new ATOM 0 HB2 PHE A 27 4.782 -14.843 -3.926 1.00 54.13 H new ATOM 0 HB3 PHE A 27 3.419 -15.848 -4.380 1.00 54.13 H new ATOM 0 HD1 PHE A 27 1.156 -14.762 -2.973 1.00 40.12 H new ATOM 0 HD2 PHE A 27 4.441 -12.691 -4.799 1.00 72.44 H new ATOM 0 HE1 PHE A 27 -0.338 -12.844 -3.435 1.00 32.40 H new ATOM 0 HE2 PHE A 27 2.917 -10.832 -5.380 1.00 13.31 H new ATOM 0 HZ PHE A 27 0.547 -10.850 -4.640 1.00 52.43 H new ATOM 399 N ASP A 28 3.020 -18.037 -2.583 1.00 44.05 N ATOM 400 CA ASP A 28 3.165 -19.496 -2.606 1.00 74.25 C ATOM 401 C ASP A 28 3.990 -19.946 -3.814 1.00 43.44 C ATOM 402 O ASP A 28 4.710 -20.947 -3.759 1.00 72.45 O ATOM 403 CB ASP A 28 1.787 -20.164 -2.660 1.00 31.40 C ATOM 404 CG ASP A 28 1.855 -21.641 -2.281 1.00 20.51 C ATOM 405 OD1 ASP A 28 1.749 -21.960 -1.072 1.00 24.20 O ATOM 406 OD2 ASP A 28 1.929 -22.518 -3.169 1.00 12.12 O ATOM 0 H ASP A 28 2.060 -17.710 -2.695 1.00 44.05 H new ATOM 0 HA ASP A 28 3.682 -19.795 -1.694 1.00 74.25 H new ATOM 0 HB2 ASP A 28 1.106 -19.647 -1.984 1.00 31.40 H new ATOM 0 HB3 ASP A 28 1.375 -20.066 -3.664 1.00 31.40 H new ATOM 410 N ASN A 29 3.909 -19.168 -4.898 1.00 52.32 N ATOM 411 CA ASN A 29 4.558 -19.462 -6.167 1.00 73.44 C ATOM 412 C ASN A 29 6.080 -19.361 -6.098 1.00 63.51 C ATOM 413 O ASN A 29 6.740 -19.987 -6.925 1.00 71.15 O ATOM 414 CB ASN A 29 4.021 -18.573 -7.305 1.00 0.24 C ATOM 415 CG ASN A 29 4.831 -17.299 -7.528 1.00 41.43 C ATOM 416 OD1 ASN A 29 5.687 -17.240 -8.397 1.00 60.11 O ATOM 417 ND2 ASN A 29 4.594 -16.240 -6.773 1.00 71.23 N ATOM 0 H ASN A 29 3.377 -18.298 -4.912 1.00 52.32 H new ATOM 0 HA ASN A 29 4.309 -20.500 -6.386 1.00 73.44 H new ATOM 0 HB2 ASN A 29 4.009 -19.151 -8.229 1.00 0.24 H new ATOM 0 HB3 ASN A 29 2.989 -18.302 -7.085 1.00 0.24 H new ATOM 0 HD21 ASN A 29 5.125 -15.381 -6.918 1.00 71.23 H new ATOM 0 HD22 ASN A 29 3.881 -16.282 -6.045 1.00 71.23 H new ATOM 423 N GLY A 30 6.617 -18.608 -5.134 1.00 13.23 N ATOM 424 CA GLY A 30 8.017 -18.226 -5.092 1.00 23.20 C ATOM 425 C GLY A 30 8.193 -16.802 -5.610 1.00 33.43 C ATOM 426 O GLY A 30 8.772 -16.596 -6.674 1.00 11.10 O ATOM 0 H GLY A 30 6.075 -18.244 -4.350 1.00 13.23 H new ATOM 0 HA2 GLY A 30 8.390 -18.297 -4.070 1.00 23.20 H new ATOM 0 HA3 GLY A 30 8.607 -18.915 -5.696 1.00 23.20 H new ATOM 430 N GLN A 31 7.668 -15.820 -4.869 1.00 20.44 N ATOM 431 CA GLN A 31 8.041 -14.409 -4.929 1.00 60.42 C ATOM 432 C GLN A 31 8.078 -13.837 -3.512 1.00 51.24 C ATOM 433 O GLN A 31 7.501 -14.442 -2.601 1.00 64.21 O ATOM 434 CB GLN A 31 7.057 -13.625 -5.826 1.00 62.33 C ATOM 435 CG GLN A 31 7.441 -13.747 -7.298 1.00 22.23 C ATOM 436 CD GLN A 31 8.861 -13.226 -7.547 1.00 22.13 C ATOM 437 OE1 GLN A 31 9.353 -12.335 -6.857 1.00 22.10 O ATOM 438 NE2 GLN A 31 9.608 -13.801 -8.461 1.00 71.33 N ATOM 0 H GLN A 31 6.938 -16.000 -4.180 1.00 20.44 H new ATOM 0 HA GLN A 31 9.032 -14.313 -5.372 1.00 60.42 H new ATOM 0 HB2 GLN A 31 6.045 -14.003 -5.678 1.00 62.33 H new ATOM 0 HB3 GLN A 31 7.051 -12.575 -5.534 1.00 62.33 H new ATOM 0 HG2 GLN A 31 7.374 -14.790 -7.609 1.00 22.23 H new ATOM 0 HG3 GLN A 31 6.733 -13.186 -7.909 1.00 22.23 H new ATOM 0 HE21 GLN A 31 9.220 -14.542 -9.044 1.00 71.33 H new ATOM 0 HE22 GLN A 31 10.576 -13.506 -8.588 1.00 71.33 H new ATOM 445 N GLN A 32 8.770 -12.701 -3.346 1.00 43.03 N ATOM 446 CA GLN A 32 8.893 -11.946 -2.102 1.00 63.45 C ATOM 447 C GLN A 32 9.184 -10.477 -2.422 1.00 33.41 C ATOM 448 O GLN A 32 9.990 -10.211 -3.313 1.00 14.01 O ATOM 449 CB GLN A 32 10.003 -12.550 -1.218 1.00 63.44 C ATOM 450 CG GLN A 32 9.381 -13.298 -0.036 1.00 73.22 C ATOM 451 CD GLN A 32 10.306 -14.355 0.541 1.00 55.14 C ATOM 452 OE1 GLN A 32 11.266 -14.071 1.255 1.00 32.12 O ATOM 453 NE2 GLN A 32 10.019 -15.617 0.277 1.00 0.01 N ATOM 0 H GLN A 32 9.281 -12.268 -4.115 1.00 43.03 H new ATOM 0 HA GLN A 32 7.956 -12.003 -1.548 1.00 63.45 H new ATOM 0 HB2 GLN A 32 10.618 -13.230 -1.807 1.00 63.44 H new ATOM 0 HB3 GLN A 32 10.660 -11.760 -0.854 1.00 63.44 H new ATOM 0 HG2 GLN A 32 9.121 -12.583 0.745 1.00 73.22 H new ATOM 0 HG3 GLN A 32 8.453 -13.770 -0.358 1.00 73.22 H new ATOM 0 HE21 GLN A 32 9.221 -15.845 -0.316 1.00 0.01 H new ATOM 0 HE22 GLN A 32 10.595 -16.363 0.666 1.00 0.01 H new ATOM 460 N PHE A 33 8.564 -9.528 -1.707 1.00 53.03 N ATOM 461 CA PHE A 33 8.769 -8.091 -1.922 1.00 35.43 C ATOM 462 C PHE A 33 8.376 -7.249 -0.702 1.00 33.20 C ATOM 463 O PHE A 33 7.686 -7.743 0.195 1.00 35.40 O ATOM 464 CB PHE A 33 8.018 -7.636 -3.183 1.00 22.22 C ATOM 465 CG PHE A 33 6.633 -8.184 -3.447 1.00 55.11 C ATOM 466 CD1 PHE A 33 5.556 -7.825 -2.623 1.00 3.20 C ATOM 467 CD2 PHE A 33 6.391 -8.910 -4.625 1.00 42.35 C ATOM 468 CE1 PHE A 33 4.246 -8.132 -3.009 1.00 33.34 C ATOM 469 CE2 PHE A 33 5.080 -9.242 -4.998 1.00 51.22 C ATOM 470 CZ PHE A 33 4.006 -8.834 -4.189 1.00 2.30 C ATOM 0 H PHE A 33 7.903 -9.738 -0.959 1.00 53.03 H new ATOM 0 HA PHE A 33 9.837 -7.929 -2.069 1.00 35.43 H new ATOM 0 HB2 PHE A 33 7.941 -6.549 -3.146 1.00 22.22 H new ATOM 0 HB3 PHE A 33 8.640 -7.883 -4.044 1.00 22.22 H new ATOM 0 HD1 PHE A 33 5.738 -7.312 -1.690 1.00 3.20 H new ATOM 0 HD2 PHE A 33 7.219 -9.214 -5.247 1.00 42.35 H new ATOM 0 HE1 PHE A 33 3.417 -7.823 -2.389 1.00 33.34 H new ATOM 0 HE2 PHE A 33 4.898 -9.807 -5.900 1.00 51.22 H new ATOM 0 HZ PHE A 33 2.992 -9.065 -4.482 1.00 2.30 H new ATOM 479 N THR A 34 8.772 -5.967 -0.676 1.00 75.51 N ATOM 480 CA THR A 34 8.498 -5.026 0.409 1.00 51.13 C ATOM 481 C THR A 34 7.981 -3.664 -0.097 1.00 51.41 C ATOM 482 O THR A 34 8.514 -3.140 -1.069 1.00 12.32 O ATOM 483 CB THR A 34 9.794 -4.791 1.185 1.00 64.42 C ATOM 484 OG1 THR A 34 10.473 -5.978 1.544 1.00 24.51 O ATOM 485 CG2 THR A 34 9.534 -4.070 2.503 1.00 42.34 C ATOM 0 H THR A 34 9.308 -5.548 -1.436 1.00 75.51 H new ATOM 0 HA THR A 34 7.720 -5.463 1.034 1.00 51.13 H new ATOM 0 HB THR A 34 10.401 -4.204 0.496 1.00 64.42 H new ATOM 0 HG1 THR A 34 11.291 -5.752 2.034 1.00 24.51 H new ATOM 0 HG21 THR A 34 10.477 -3.920 3.028 1.00 42.34 H new ATOM 0 HG22 THR A 34 9.072 -3.103 2.304 1.00 42.34 H new ATOM 0 HG23 THR A 34 8.867 -4.671 3.121 1.00 42.34 H new ATOM 493 N LEU A 35 6.995 -3.060 0.584 1.00 41.04 N ATOM 494 CA LEU A 35 6.357 -1.771 0.250 1.00 22.11 C ATOM 495 C LEU A 35 6.299 -0.863 1.469 1.00 0.02 C ATOM 496 O LEU A 35 6.209 -1.337 2.608 1.00 3.30 O ATOM 497 CB LEU A 35 4.898 -2.000 -0.156 1.00 75.43 C ATOM 498 CG LEU A 35 4.688 -2.147 -1.664 1.00 52.22 C ATOM 499 CD1 LEU A 35 3.471 -3.035 -1.901 1.00 20.42 C ATOM 500 CD2 LEU A 35 4.447 -0.790 -2.308 1.00 24.10 C ATOM 0 H LEU A 35 6.599 -3.477 1.426 1.00 41.04 H new ATOM 0 HA LEU A 35 6.944 -1.324 -0.552 1.00 22.11 H new ATOM 0 HB2 LEU A 35 4.530 -2.898 0.341 1.00 75.43 H new ATOM 0 HB3 LEU A 35 4.296 -1.166 0.205 1.00 75.43 H new ATOM 0 HG LEU A 35 5.580 -2.589 -2.107 1.00 52.22 H new ATOM 0 HD11 LEU A 35 3.308 -3.150 -2.973 1.00 20.42 H new ATOM 0 HD12 LEU A 35 3.642 -4.014 -1.453 1.00 20.42 H new ATOM 0 HD13 LEU A 35 2.592 -2.577 -1.447 1.00 20.42 H new ATOM 0 HD21 LEU A 35 4.300 -0.917 -3.381 1.00 24.10 H new ATOM 0 HD22 LEU A 35 3.559 -0.333 -1.872 1.00 24.10 H new ATOM 0 HD23 LEU A 35 5.309 -0.146 -2.134 1.00 24.10 H new ATOM 511 N SER A 36 6.230 0.441 1.222 1.00 1.20 N ATOM 512 CA SER A 36 6.046 1.462 2.241 1.00 75.22 C ATOM 513 C SER A 36 4.582 1.577 2.673 1.00 74.11 C ATOM 514 O SER A 36 3.659 1.450 1.865 1.00 51.15 O ATOM 515 CB SER A 36 6.473 2.815 1.682 1.00 4.04 C ATOM 516 OG SER A 36 7.793 3.171 2.051 1.00 72.44 O ATOM 0 H SER A 36 6.303 0.825 0.280 1.00 1.20 H new ATOM 0 HA SER A 36 6.649 1.176 3.103 1.00 75.22 H new ATOM 0 HB2 SER A 36 6.398 2.793 0.595 1.00 4.04 H new ATOM 0 HB3 SER A 36 5.783 3.582 2.034 1.00 4.04 H new ATOM 0 HG SER A 36 7.818 4.117 2.305 1.00 72.44 H new ATOM 521 N CYS A 37 4.385 1.922 3.947 1.00 51.05 N ATOM 522 CA CYS A 37 3.086 2.223 4.540 1.00 13.13 C ATOM 523 C CYS A 37 2.362 3.391 3.870 1.00 62.15 C ATOM 524 O CYS A 37 1.140 3.356 3.743 1.00 31.51 O ATOM 525 CB CYS A 37 3.269 2.575 6.015 1.00 44.03 C ATOM 526 SG CYS A 37 3.738 1.086 6.936 1.00 13.40 S ATOM 0 H CYS A 37 5.153 2.001 4.614 1.00 51.05 H new ATOM 0 HA CYS A 37 2.478 1.329 4.403 1.00 13.13 H new ATOM 0 HB2 CYS A 37 4.037 3.341 6.125 1.00 44.03 H new ATOM 0 HB3 CYS A 37 2.345 2.990 6.419 1.00 44.03 H new ATOM 0 HG CYS A 37 4.482 1.419 7.949 1.00 13.40 H new ATOM 531 N GLU A 38 3.085 4.444 3.495 1.00 62.35 N ATOM 532 CA GLU A 38 2.512 5.641 2.909 1.00 23.32 C ATOM 533 C GLU A 38 1.747 5.282 1.628 1.00 52.15 C ATOM 534 O GLU A 38 0.549 5.547 1.530 1.00 13.23 O ATOM 535 CB GLU A 38 3.594 6.714 2.685 1.00 51.23 C ATOM 536 CG GLU A 38 4.918 6.291 2.015 1.00 2.10 C ATOM 537 CD GLU A 38 5.990 5.776 2.984 1.00 43.34 C ATOM 538 OE1 GLU A 38 5.656 5.258 4.069 1.00 24.31 O ATOM 539 OE2 GLU A 38 7.188 5.782 2.616 1.00 12.30 O ATOM 0 H GLU A 38 4.099 4.485 3.594 1.00 62.35 H new ATOM 0 HA GLU A 38 1.792 6.077 3.602 1.00 23.32 H new ATOM 0 HB2 GLU A 38 3.155 7.508 2.081 1.00 51.23 H new ATOM 0 HB3 GLU A 38 3.836 7.149 3.655 1.00 51.23 H new ATOM 0 HG2 GLU A 38 4.706 5.513 1.282 1.00 2.10 H new ATOM 0 HG3 GLU A 38 5.321 7.143 1.468 1.00 2.10 H new ATOM 544 N LEU A 39 2.428 4.618 0.683 1.00 42.15 N ATOM 545 CA LEU A 39 1.902 4.198 -0.616 1.00 73.12 C ATOM 546 C LEU A 39 0.668 3.313 -0.420 1.00 44.43 C ATOM 547 O LEU A 39 -0.350 3.488 -1.087 1.00 70.35 O ATOM 548 CB LEU A 39 3.001 3.452 -1.402 1.00 22.24 C ATOM 549 CG LEU A 39 2.713 3.353 -2.915 1.00 54.12 C ATOM 550 CD1 LEU A 39 2.988 4.682 -3.624 1.00 64.41 C ATOM 551 CD2 LEU A 39 3.578 2.260 -3.557 1.00 62.44 C ATOM 0 H LEU A 39 3.403 4.349 0.813 1.00 42.15 H new ATOM 0 HA LEU A 39 1.601 5.075 -1.190 1.00 73.12 H new ATOM 0 HB2 LEU A 39 3.953 3.962 -1.254 1.00 22.24 H new ATOM 0 HB3 LEU A 39 3.110 2.447 -0.994 1.00 22.24 H new ATOM 0 HG LEU A 39 1.658 3.104 -3.027 1.00 54.12 H new ATOM 0 HD11 LEU A 39 2.775 4.578 -4.688 1.00 64.41 H new ATOM 0 HD12 LEU A 39 2.351 5.459 -3.201 1.00 64.41 H new ATOM 0 HD13 LEU A 39 4.034 4.957 -3.489 1.00 64.41 H new ATOM 0 HD21 LEU A 39 3.362 2.204 -4.624 1.00 62.44 H new ATOM 0 HD22 LEU A 39 4.632 2.498 -3.412 1.00 62.44 H new ATOM 0 HD23 LEU A 39 3.356 1.300 -3.091 1.00 62.44 H new ATOM 562 N LEU A 40 0.756 2.399 0.552 1.00 31.30 N ATOM 563 CA LEU A 40 -0.328 1.524 0.978 1.00 52.12 C ATOM 564 C LEU A 40 -1.563 2.321 1.372 1.00 51.43 C ATOM 565 O LEU A 40 -2.651 2.000 0.903 1.00 10.20 O ATOM 566 CB LEU A 40 0.149 0.633 2.145 1.00 53.04 C ATOM 567 CG LEU A 40 0.555 -0.802 1.779 1.00 45.34 C ATOM 568 CD1 LEU A 40 1.226 -0.934 0.417 1.00 71.44 C ATOM 569 CD2 LEU A 40 1.479 -1.361 2.878 1.00 11.41 C ATOM 0 H LEU A 40 1.616 2.247 1.079 1.00 31.30 H new ATOM 0 HA LEU A 40 -0.609 0.888 0.138 1.00 52.12 H new ATOM 0 HB2 LEU A 40 1.000 1.119 2.622 1.00 53.04 H new ATOM 0 HB3 LEU A 40 -0.648 0.585 2.887 1.00 53.04 H new ATOM 0 HG LEU A 40 -0.367 -1.379 1.710 1.00 45.34 H new ATOM 0 HD11 LEU A 40 1.481 -1.978 0.236 1.00 71.44 H new ATOM 0 HD12 LEU A 40 0.544 -0.587 -0.360 1.00 71.44 H new ATOM 0 HD13 LEU A 40 2.134 -0.331 0.399 1.00 71.44 H new ATOM 0 HD21 LEU A 40 1.771 -2.380 2.624 1.00 11.41 H new ATOM 0 HD22 LEU A 40 2.369 -0.737 2.957 1.00 11.41 H new ATOM 0 HD23 LEU A 40 0.951 -1.362 3.832 1.00 11.41 H new ATOM 580 N ARG A 41 -1.440 3.311 2.261 1.00 2.41 N ATOM 581 CA ARG A 41 -2.615 4.036 2.743 1.00 10.12 C ATOM 582 C ARG A 41 -3.287 4.738 1.571 1.00 11.00 C ATOM 583 O ARG A 41 -4.510 4.672 1.457 1.00 10.04 O ATOM 584 CB ARG A 41 -2.232 5.008 3.879 1.00 25.42 C ATOM 585 CG ARG A 41 -3.390 5.413 4.819 1.00 62.22 C ATOM 586 CD ARG A 41 -4.555 6.162 4.150 1.00 45.03 C ATOM 587 NE ARG A 41 -5.407 6.852 5.130 1.00 32.50 N ATOM 588 CZ ARG A 41 -6.556 7.497 4.885 1.00 41.43 C ATOM 589 NH1 ARG A 41 -7.097 7.543 3.675 1.00 24.50 N ATOM 590 NH2 ARG A 41 -7.153 8.130 5.881 1.00 32.54 N ATOM 0 H ARG A 41 -0.553 3.624 2.655 1.00 2.41 H new ATOM 0 HA ARG A 41 -3.333 3.336 3.170 1.00 10.12 H new ATOM 0 HB2 ARG A 41 -1.444 4.550 4.477 1.00 25.42 H new ATOM 0 HB3 ARG A 41 -1.812 5.911 3.436 1.00 25.42 H new ATOM 0 HG2 ARG A 41 -3.783 4.513 5.291 1.00 62.22 H new ATOM 0 HG3 ARG A 41 -2.987 6.040 5.614 1.00 62.22 H new ATOM 0 HD2 ARG A 41 -4.158 6.888 3.441 1.00 45.03 H new ATOM 0 HD3 ARG A 41 -5.159 5.456 3.579 1.00 45.03 H new ATOM 0 HE ARG A 41 -5.090 6.838 6.099 1.00 32.50 H new ATOM 0 HH11 ARG A 41 -6.637 7.077 2.893 1.00 24.50 H new ATOM 0 HH12 ARG A 41 -7.973 8.044 3.527 1.00 24.50 H new ATOM 0 HH21 ARG A 41 -6.738 8.121 6.813 1.00 32.54 H new ATOM 0 HH22 ARG A 41 -8.028 8.627 5.717 1.00 32.54 H new ATOM 601 N VAL A 42 -2.526 5.455 0.746 1.00 62.35 N ATOM 602 CA VAL A 42 -3.117 6.335 -0.247 1.00 12.41 C ATOM 603 C VAL A 42 -3.910 5.535 -1.285 1.00 44.11 C ATOM 604 O VAL A 42 -5.120 5.732 -1.379 1.00 51.11 O ATOM 605 CB VAL A 42 -2.068 7.301 -0.826 1.00 12.22 C ATOM 606 CG1 VAL A 42 -1.429 8.142 0.299 1.00 73.11 C ATOM 607 CG2 VAL A 42 -0.931 6.649 -1.603 1.00 32.30 C ATOM 0 H VAL A 42 -1.506 5.441 0.749 1.00 62.35 H new ATOM 0 HA VAL A 42 -3.854 6.981 0.231 1.00 12.41 H new ATOM 0 HB VAL A 42 -2.636 7.907 -1.532 1.00 12.22 H new ATOM 0 HG11 VAL A 42 -0.690 8.819 -0.128 1.00 73.11 H new ATOM 0 HG12 VAL A 42 -2.202 8.721 0.805 1.00 73.11 H new ATOM 0 HG13 VAL A 42 -0.943 7.481 1.016 1.00 73.11 H new ATOM 0 HG21 VAL A 42 -0.250 7.419 -1.966 1.00 32.30 H new ATOM 0 HG22 VAL A 42 -0.390 5.965 -0.950 1.00 32.30 H new ATOM 0 HG23 VAL A 42 -1.339 6.096 -2.450 1.00 32.30 H new ATOM 617 N TYR A 43 -3.275 4.581 -1.976 1.00 61.11 N ATOM 618 CA TYR A 43 -3.825 3.879 -3.137 1.00 1.33 C ATOM 619 C TYR A 43 -4.862 2.805 -2.726 1.00 11.22 C ATOM 620 O TYR A 43 -4.970 1.760 -3.368 1.00 32.33 O ATOM 621 CB TYR A 43 -2.671 3.305 -4.010 1.00 60.33 C ATOM 622 CG TYR A 43 -2.285 4.124 -5.236 1.00 32.51 C ATOM 623 CD1 TYR A 43 -3.271 4.617 -6.112 1.00 53.41 C ATOM 624 CD2 TYR A 43 -0.933 4.341 -5.554 1.00 15.20 C ATOM 625 CE1 TYR A 43 -2.925 5.380 -7.244 1.00 52.15 C ATOM 626 CE2 TYR A 43 -0.582 5.072 -6.707 1.00 71.43 C ATOM 627 CZ TYR A 43 -1.569 5.617 -7.552 1.00 15.12 C ATOM 628 OH TYR A 43 -1.197 6.350 -8.637 1.00 71.41 O ATOM 0 H TYR A 43 -2.335 4.268 -1.733 1.00 61.11 H new ATOM 0 HA TYR A 43 -4.374 4.595 -3.748 1.00 1.33 H new ATOM 0 HB2 TYR A 43 -1.788 3.193 -3.381 1.00 60.33 H new ATOM 0 HB3 TYR A 43 -2.956 2.306 -4.341 1.00 60.33 H new ATOM 0 HD1 TYR A 43 -4.311 4.406 -5.912 1.00 53.41 H new ATOM 0 HD2 TYR A 43 -0.160 3.946 -4.912 1.00 15.20 H new ATOM 0 HE1 TYR A 43 -3.700 5.785 -7.878 1.00 52.15 H new ATOM 0 HE2 TYR A 43 0.461 5.217 -6.947 1.00 71.43 H new ATOM 0 HH TYR A 43 -0.219 6.401 -8.678 1.00 71.41 H new ATOM 637 N SER A 44 -5.599 2.985 -1.622 1.00 45.04 N ATOM 638 CA SER A 44 -6.598 2.008 -1.201 1.00 51.32 C ATOM 639 C SER A 44 -7.638 1.868 -2.331 1.00 32.20 C ATOM 640 O SER A 44 -8.080 2.880 -2.879 1.00 52.11 O ATOM 641 CB SER A 44 -7.241 2.516 0.104 1.00 70.31 C ATOM 642 OG SER A 44 -8.194 1.626 0.664 1.00 25.11 O ATOM 0 H SER A 44 -5.519 3.797 -1.010 1.00 45.04 H new ATOM 0 HA SER A 44 -6.159 1.028 -1.013 1.00 51.32 H new ATOM 0 HB2 SER A 44 -6.455 2.698 0.837 1.00 70.31 H new ATOM 0 HB3 SER A 44 -7.724 3.474 -0.090 1.00 70.31 H new ATOM 0 HG SER A 44 -8.558 2.012 1.488 1.00 25.11 H new ATOM 647 N PRO A 45 -8.171 0.665 -2.596 1.00 30.53 N ATOM 648 CA PRO A 45 -9.250 0.483 -3.556 1.00 71.54 C ATOM 649 C PRO A 45 -10.547 1.149 -3.102 1.00 23.11 C ATOM 650 O PRO A 45 -11.371 1.504 -3.941 1.00 64.43 O ATOM 651 CB PRO A 45 -9.429 -1.022 -3.730 1.00 72.34 C ATOM 652 CG PRO A 45 -8.673 -1.658 -2.569 1.00 63.11 C ATOM 653 CD PRO A 45 -7.647 -0.607 -2.151 1.00 3.04 C ATOM 0 HA PRO A 45 -8.997 0.961 -4.502 1.00 71.54 H new ATOM 0 HB2 PRO A 45 -10.484 -1.297 -3.709 1.00 72.34 H new ATOM 0 HB3 PRO A 45 -9.031 -1.357 -4.688 1.00 72.34 H new ATOM 0 HG2 PRO A 45 -9.345 -1.904 -1.747 1.00 63.11 H new ATOM 0 HG3 PRO A 45 -8.188 -2.586 -2.873 1.00 63.11 H new ATOM 0 HD2 PRO A 45 -7.502 -0.612 -1.071 1.00 3.04 H new ATOM 0 HD3 PRO A 45 -6.676 -0.808 -2.604 1.00 3.04 H new ATOM 658 N SER A 46 -10.716 1.396 -1.801 1.00 53.13 N ATOM 659 CA SER A 46 -11.804 2.182 -1.232 1.00 34.23 C ATOM 660 C SER A 46 -11.684 3.685 -1.556 1.00 54.21 C ATOM 661 O SER A 46 -12.354 4.503 -0.922 1.00 41.35 O ATOM 662 CB SER A 46 -11.835 1.892 0.274 1.00 73.33 C ATOM 663 OG SER A 46 -13.036 2.337 0.868 1.00 34.43 O ATOM 0 H SER A 46 -10.074 1.040 -1.093 1.00 53.13 H new ATOM 0 HA SER A 46 -12.753 1.891 -1.682 1.00 34.23 H new ATOM 0 HB2 SER A 46 -11.722 0.821 0.440 1.00 73.33 H new ATOM 0 HB3 SER A 46 -10.988 2.380 0.756 1.00 73.33 H new ATOM 0 HG SER A 46 -13.280 3.211 0.498 1.00 34.43 H new ATOM 777 N VAL A 56 -9.664 11.016 -5.266 1.00 2.52 N ATOM 778 CA VAL A 56 -9.197 12.069 -4.374 1.00 44.54 C ATOM 779 C VAL A 56 -7.671 12.074 -4.442 1.00 61.45 C ATOM 780 O VAL A 56 -7.042 11.024 -4.610 1.00 53.21 O ATOM 781 CB VAL A 56 -9.714 11.798 -2.943 1.00 12.22 C ATOM 782 CG1 VAL A 56 -9.241 12.848 -1.921 1.00 65.13 C ATOM 783 CG2 VAL A 56 -11.250 11.751 -2.897 1.00 65.34 C ATOM 0 HA VAL A 56 -9.573 13.049 -4.669 1.00 44.54 H new ATOM 0 HB VAL A 56 -9.295 10.829 -2.671 1.00 12.22 H new ATOM 0 HG11 VAL A 56 -9.638 12.601 -0.936 1.00 65.13 H new ATOM 0 HG12 VAL A 56 -8.152 12.854 -1.883 1.00 65.13 H new ATOM 0 HG13 VAL A 56 -9.599 13.833 -2.220 1.00 65.13 H new ATOM 0 HG21 VAL A 56 -11.578 11.559 -1.875 1.00 65.34 H new ATOM 0 HG22 VAL A 56 -11.653 12.706 -3.234 1.00 65.34 H new ATOM 0 HG23 VAL A 56 -11.609 10.955 -3.549 1.00 65.34 H new ATOM 793 N LEU A 57 -7.072 13.253 -4.285 1.00 45.43 N ATOM 794 CA LEU A 57 -5.636 13.403 -4.129 1.00 62.32 C ATOM 795 C LEU A 57 -5.267 13.221 -2.662 1.00 10.12 C ATOM 796 O LEU A 57 -5.373 14.172 -1.876 1.00 61.54 O ATOM 797 CB LEU A 57 -5.180 14.755 -4.686 1.00 25.42 C ATOM 798 CG LEU A 57 -3.666 14.980 -4.509 1.00 41.34 C ATOM 799 CD1 LEU A 57 -2.804 13.933 -5.224 1.00 33.41 C ATOM 800 CD2 LEU A 57 -3.344 16.366 -5.062 1.00 25.33 C ATOM 0 H LEU A 57 -7.580 14.137 -4.263 1.00 45.43 H new ATOM 0 HA LEU A 57 -5.114 12.636 -4.701 1.00 62.32 H new ATOM 0 HB2 LEU A 57 -5.432 14.813 -5.745 1.00 25.42 H new ATOM 0 HB3 LEU A 57 -5.725 15.555 -4.184 1.00 25.42 H new ATOM 0 HG LEU A 57 -3.431 14.891 -3.448 1.00 41.34 H new ATOM 0 HD11 LEU A 57 -1.750 14.154 -5.056 1.00 33.41 H new ATOM 0 HD12 LEU A 57 -3.034 12.943 -4.831 1.00 33.41 H new ATOM 0 HD13 LEU A 57 -3.014 13.957 -6.293 1.00 33.41 H new ATOM 0 HD21 LEU A 57 -2.277 16.562 -4.954 1.00 25.33 H new ATOM 0 HD22 LEU A 57 -3.616 16.409 -6.117 1.00 25.33 H new ATOM 0 HD23 LEU A 57 -3.909 17.118 -4.511 1.00 25.33 H new ATOM 811 N VAL A 58 -4.846 12.016 -2.280 1.00 44.41 N ATOM 812 CA VAL A 58 -4.257 11.800 -0.965 1.00 52.21 C ATOM 813 C VAL A 58 -2.777 12.191 -1.034 1.00 12.40 C ATOM 814 O VAL A 58 -2.086 12.016 -2.039 1.00 30.41 O ATOM 815 CB VAL A 58 -4.488 10.365 -0.456 1.00 65.12 C ATOM 816 CG1 VAL A 58 -4.163 10.233 1.045 1.00 22.20 C ATOM 817 CG2 VAL A 58 -5.949 9.929 -0.614 1.00 50.34 C ATOM 0 H VAL A 58 -4.903 11.180 -2.861 1.00 44.41 H new ATOM 0 HA VAL A 58 -4.750 12.432 -0.226 1.00 52.21 H new ATOM 0 HB VAL A 58 -3.828 9.739 -1.058 1.00 65.12 H new ATOM 0 HG11 VAL A 58 -4.338 9.206 1.366 1.00 22.20 H new ATOM 0 HG12 VAL A 58 -3.118 10.493 1.215 1.00 22.20 H new ATOM 0 HG13 VAL A 58 -4.802 10.906 1.616 1.00 22.20 H new ATOM 0 HG21 VAL A 58 -6.067 8.911 -0.243 1.00 50.34 H new ATOM 0 HG22 VAL A 58 -6.592 10.600 -0.045 1.00 50.34 H new ATOM 0 HG23 VAL A 58 -6.228 9.966 -1.667 1.00 50.34 H new ATOM 827 N THR A 59 -2.308 12.767 0.060 1.00 73.15 N ATOM 828 CA THR A 59 -1.063 13.507 0.206 1.00 14.42 C ATOM 829 C THR A 59 0.071 12.617 0.715 1.00 2.42 C ATOM 830 O THR A 59 -0.116 11.399 0.830 1.00 52.25 O ATOM 831 CB THR A 59 -1.408 14.688 1.131 1.00 23.33 C ATOM 832 OG1 THR A 59 -2.324 14.330 2.164 1.00 74.12 O ATOM 833 CG2 THR A 59 -2.051 15.755 0.241 1.00 25.21 C ATOM 0 H THR A 59 -2.827 12.727 0.937 1.00 73.15 H new ATOM 0 HA THR A 59 -0.678 13.876 -0.745 1.00 14.42 H new ATOM 0 HB THR A 59 -0.501 15.036 1.626 1.00 23.33 H new ATOM 0 HG1 THR A 59 -2.034 13.493 2.583 1.00 74.12 H new ATOM 0 HG21 THR A 59 -2.318 16.621 0.846 1.00 25.21 H new ATOM 0 HG22 THR A 59 -1.345 16.057 -0.533 1.00 25.21 H new ATOM 0 HG23 THR A 59 -2.948 15.348 -0.225 1.00 25.21 H new ATOM 841 N HIS A 60 1.253 13.186 1.003 1.00 12.44 N ATOM 842 CA HIS A 60 2.277 12.439 1.727 1.00 71.41 C ATOM 843 C HIS A 60 1.706 11.997 3.090 1.00 61.34 C ATOM 844 O HIS A 60 0.665 12.504 3.544 1.00 5.32 O ATOM 845 CB HIS A 60 3.624 13.184 1.838 1.00 70.44 C ATOM 846 CG HIS A 60 4.321 13.484 0.525 1.00 31.53 C ATOM 847 ND1 HIS A 60 4.663 12.561 -0.437 1.00 3.02 N ATOM 848 CD2 HIS A 60 4.758 14.707 0.089 1.00 30.50 C ATOM 849 CE1 HIS A 60 5.274 13.209 -1.435 1.00 34.33 C ATOM 850 NE2 HIS A 60 5.360 14.526 -1.168 1.00 53.05 N ATOM 0 H HIS A 60 1.513 14.139 0.750 1.00 12.44 H new ATOM 0 HA HIS A 60 2.527 11.549 1.149 1.00 71.41 H new ATOM 0 HB2 HIS A 60 3.455 14.125 2.362 1.00 70.44 H new ATOM 0 HB3 HIS A 60 4.296 12.590 2.457 1.00 70.44 H new ATOM 0 HD1 HIS A 60 4.482 11.558 -0.396 1.00 3.02 H new ATOM 0 HD2 HIS A 60 4.658 15.644 0.617 1.00 30.50 H new ATOM 0 HE1 HIS A 60 5.648 12.740 -2.333 1.00 34.33 H new ATOM 857 N LYS A 61 2.378 11.059 3.763 1.00 52.21 N ATOM 858 CA LYS A 61 1.862 10.450 4.986 1.00 73.15 C ATOM 859 C LYS A 61 2.935 10.541 6.060 1.00 23.42 C ATOM 860 O LYS A 61 3.966 9.875 5.967 1.00 72.11 O ATOM 861 CB LYS A 61 1.487 8.973 4.709 1.00 10.44 C ATOM 862 CG LYS A 61 -0.001 8.596 4.761 1.00 64.14 C ATOM 863 CD LYS A 61 -0.846 9.175 3.626 1.00 30.13 C ATOM 864 CE LYS A 61 -1.534 10.456 4.092 1.00 31.54 C ATOM 865 NZ LYS A 61 -2.771 10.207 4.879 1.00 21.12 N ATOM 0 H LYS A 61 3.290 10.704 3.475 1.00 52.21 H new ATOM 0 HA LYS A 61 0.968 10.972 5.326 1.00 73.15 H new ATOM 0 HB2 LYS A 61 1.866 8.710 3.722 1.00 10.44 H new ATOM 0 HB3 LYS A 61 2.017 8.351 5.430 1.00 10.44 H new ATOM 0 HG2 LYS A 61 -0.088 7.510 4.743 1.00 64.14 H new ATOM 0 HG3 LYS A 61 -0.414 8.933 5.712 1.00 64.14 H new ATOM 0 HD2 LYS A 61 -0.216 9.384 2.762 1.00 30.13 H new ATOM 0 HD3 LYS A 61 -1.592 8.446 3.308 1.00 30.13 H new ATOM 0 HE2 LYS A 61 -0.837 11.035 4.698 1.00 31.54 H new ATOM 0 HE3 LYS A 61 -1.782 11.064 3.222 1.00 31.54 H new ATOM 0 HZ1 LYS A 61 -3.189 11.115 5.165 1.00 21.12 H new ATOM 0 HZ2 LYS A 61 -3.453 9.680 4.297 1.00 21.12 H new ATOM 0 HZ3 LYS A 61 -2.537 9.651 5.727 1.00 21.12 H new ATOM 875 N LYS A 62 2.673 11.382 7.064 1.00 14.30 N ATOM 876 CA LYS A 62 3.648 11.888 8.002 1.00 54.25 C ATOM 877 C LYS A 62 4.435 10.778 8.685 1.00 24.14 C ATOM 878 O LYS A 62 5.659 10.709 8.611 1.00 34.33 O ATOM 879 CB LYS A 62 2.980 12.810 9.040 1.00 44.41 C ATOM 880 CG LYS A 62 1.810 13.729 8.703 1.00 32.14 C ATOM 881 CD LYS A 62 0.359 13.285 8.803 1.00 65.15 C ATOM 882 CE LYS A 62 0.009 11.791 8.784 1.00 65.22 C ATOM 883 NZ LYS A 62 -1.185 11.578 9.627 1.00 4.21 N ATOM 0 H LYS A 62 1.734 11.737 7.243 1.00 14.30 H new ATOM 0 HA LYS A 62 4.367 12.472 7.427 1.00 54.25 H new ATOM 0 HB2 LYS A 62 2.644 12.168 9.854 1.00 44.41 H new ATOM 0 HB3 LYS A 62 3.768 13.447 9.441 1.00 44.41 H new ATOM 0 HG2 LYS A 62 1.911 14.607 9.341 1.00 32.14 H new ATOM 0 HG3 LYS A 62 1.963 14.062 7.676 1.00 32.14 H new ATOM 0 HD2 LYS A 62 -0.044 13.700 9.727 1.00 65.15 H new ATOM 0 HD3 LYS A 62 -0.181 13.755 7.981 1.00 65.15 H new ATOM 0 HE2 LYS A 62 -0.184 11.460 7.763 1.00 65.22 H new ATOM 0 HE3 LYS A 62 0.846 11.201 9.157 1.00 65.22 H new ATOM 0 HZ1 LYS A 62 -1.506 10.594 9.531 1.00 4.21 H new ATOM 0 HZ2 LYS A 62 -0.947 11.769 10.621 1.00 4.21 H new ATOM 0 HZ3 LYS A 62 -1.944 12.221 9.323 1.00 4.21 H new ATOM 893 N ASN A 63 3.720 9.944 9.424 1.00 23.40 N ATOM 894 CA ASN A 63 4.243 8.907 10.292 1.00 74.41 C ATOM 895 C ASN A 63 3.082 7.943 10.407 1.00 74.53 C ATOM 896 O ASN A 63 2.189 8.120 11.227 1.00 24.44 O ATOM 897 CB ASN A 63 4.732 9.448 11.662 1.00 3.01 C ATOM 898 CG ASN A 63 4.188 10.828 12.028 1.00 50.21 C ATOM 899 OD1 ASN A 63 3.055 10.963 12.480 1.00 52.42 O ATOM 900 ND2 ASN A 63 4.934 11.892 11.763 1.00 14.42 N ATOM 0 H ASN A 63 2.701 9.977 9.433 1.00 23.40 H new ATOM 0 HA ASN A 63 5.141 8.435 9.894 1.00 74.41 H new ATOM 0 HB2 ASN A 63 4.447 8.741 12.441 1.00 3.01 H new ATOM 0 HB3 ASN A 63 5.821 9.491 11.654 1.00 3.01 H new ATOM 0 HD21 ASN A 63 4.567 12.828 11.935 1.00 14.42 H new ATOM 0 HD22 ASN A 63 5.875 11.774 11.387 1.00 14.42 H new ATOM 906 N VAL A 64 3.025 6.992 9.476 1.00 50.23 N ATOM 907 CA VAL A 64 2.061 5.906 9.524 1.00 33.14 C ATOM 908 C VAL A 64 2.855 4.620 9.700 1.00 45.33 C ATOM 909 O VAL A 64 3.851 4.397 9.005 1.00 42.04 O ATOM 910 CB VAL A 64 1.193 5.873 8.249 1.00 45.41 C ATOM 911 CG1 VAL A 64 0.000 4.932 8.447 1.00 65.34 C ATOM 912 CG2 VAL A 64 0.659 7.255 7.857 1.00 61.13 C ATOM 0 H VAL A 64 3.648 6.957 8.669 1.00 50.23 H new ATOM 0 HA VAL A 64 1.367 6.039 10.354 1.00 33.14 H new ATOM 0 HB VAL A 64 1.840 5.519 7.447 1.00 45.41 H new ATOM 0 HG11 VAL A 64 -0.606 4.917 7.541 1.00 65.34 H new ATOM 0 HG12 VAL A 64 0.362 3.926 8.659 1.00 65.34 H new ATOM 0 HG13 VAL A 64 -0.606 5.283 9.282 1.00 65.34 H new ATOM 0 HG21 VAL A 64 0.056 7.169 6.953 1.00 61.13 H new ATOM 0 HG22 VAL A 64 0.046 7.651 8.666 1.00 61.13 H new ATOM 0 HG23 VAL A 64 1.495 7.929 7.672 1.00 61.13 H new ATOM 922 N ASN A 65 2.394 3.764 10.605 1.00 4.11 N ATOM 923 CA ASN A 65 2.844 2.395 10.755 1.00 73.53 C ATOM 924 C ASN A 65 1.606 1.505 10.815 1.00 32.10 C ATOM 925 O ASN A 65 0.495 1.982 11.058 1.00 42.04 O ATOM 926 CB ASN A 65 3.725 2.249 12.007 1.00 43.41 C ATOM 927 CG ASN A 65 5.170 2.669 11.758 1.00 74.13 C ATOM 928 OD1 ASN A 65 5.690 3.634 12.297 1.00 4.42 O ATOM 929 ND2 ASN A 65 5.884 1.949 10.915 1.00 4.23 N ATOM 0 H ASN A 65 1.670 4.019 11.277 1.00 4.11 H new ATOM 0 HA ASN A 65 3.463 2.094 9.910 1.00 73.53 H new ATOM 0 HB2 ASN A 65 3.308 2.853 12.813 1.00 43.41 H new ATOM 0 HB3 ASN A 65 3.704 1.212 12.343 1.00 43.41 H new ATOM 0 HD21 ASN A 65 6.853 2.201 10.723 1.00 4.23 H new ATOM 0 HD22 ASN A 65 5.467 1.140 10.455 1.00 4.23 H new ATOM 935 N ILE A 66 1.788 0.211 10.563 1.00 14.40 N ATOM 936 CA ILE A 66 0.712 -0.771 10.578 1.00 32.51 C ATOM 937 C ILE A 66 0.449 -1.179 12.017 1.00 63.21 C ATOM 938 O ILE A 66 1.375 -1.262 12.829 1.00 13.12 O ATOM 939 CB ILE A 66 1.091 -1.973 9.683 1.00 12.43 C ATOM 940 CG1 ILE A 66 1.080 -1.444 8.229 1.00 10.10 C ATOM 941 CG2 ILE A 66 0.163 -3.183 9.838 1.00 12.03 C ATOM 942 CD1 ILE A 66 1.151 -2.469 7.108 1.00 45.24 C ATOM 0 H ILE A 66 2.700 -0.188 10.340 1.00 14.40 H new ATOM 0 HA ILE A 66 -0.207 -0.349 10.172 1.00 32.51 H new ATOM 0 HB ILE A 66 2.070 -2.350 9.979 1.00 12.43 H new ATOM 0 HG12 ILE A 66 0.172 -0.858 8.091 1.00 10.10 H new ATOM 0 HG13 ILE A 66 1.921 -0.760 8.113 1.00 10.10 H new ATOM 0 HG21 ILE A 66 0.496 -3.984 9.177 1.00 12.03 H new ATOM 0 HG22 ILE A 66 0.188 -3.531 10.871 1.00 12.03 H new ATOM 0 HG23 ILE A 66 -0.856 -2.896 9.576 1.00 12.03 H new ATOM 0 HD11 ILE A 66 1.135 -1.957 6.146 1.00 45.24 H new ATOM 0 HD12 ILE A 66 2.073 -3.043 7.198 1.00 45.24 H new ATOM 0 HD13 ILE A 66 0.296 -3.142 7.176 1.00 45.24 H new ATOM 953 N ASN A 67 -0.811 -1.494 12.299 1.00 31.33 N ATOM 954 CA ASN A 67 -1.222 -2.054 13.579 1.00 54.21 C ATOM 955 C ASN A 67 -1.247 -3.576 13.504 1.00 34.21 C ATOM 956 O ASN A 67 -0.646 -4.242 14.348 1.00 22.34 O ATOM 957 CB ASN A 67 -2.580 -1.484 14.021 1.00 1.12 C ATOM 958 CG ASN A 67 -2.435 -0.860 15.393 1.00 61.34 C ATOM 959 OD1 ASN A 67 -2.398 -1.569 16.400 1.00 53.44 O ATOM 960 ND2 ASN A 67 -2.251 0.446 15.413 1.00 74.41 N ATOM 0 H ASN A 67 -1.580 -1.367 11.641 1.00 31.33 H new ATOM 0 HA ASN A 67 -0.492 -1.766 14.336 1.00 54.21 H new ATOM 0 HB2 ASN A 67 -2.926 -0.739 13.304 1.00 1.12 H new ATOM 0 HB3 ASN A 67 -3.329 -2.275 14.045 1.00 1.12 H new ATOM 0 HD21 ASN A 67 -2.066 0.922 16.296 1.00 74.41 H new ATOM 0 HD22 ASN A 67 -2.293 0.980 14.545 1.00 74.41 H new ATOM 966 N ALA A 68 -1.896 -4.149 12.485 1.00 21.33 N ATOM 967 CA ALA A 68 -2.181 -5.576 12.389 1.00 3.00 C ATOM 968 C ALA A 68 -2.431 -5.980 10.933 1.00 12.21 C ATOM 969 O ALA A 68 -2.446 -5.130 10.040 1.00 5.13 O ATOM 970 CB ALA A 68 -3.411 -5.902 13.248 1.00 63.51 C ATOM 0 H ALA A 68 -2.244 -3.617 11.688 1.00 21.33 H new ATOM 0 HA ALA A 68 -1.321 -6.138 12.753 1.00 3.00 H new ATOM 0 HB1 ALA A 68 -3.630 -6.968 13.181 1.00 63.51 H new ATOM 0 HB2 ALA A 68 -3.210 -5.638 14.286 1.00 63.51 H new ATOM 0 HB3 ALA A 68 -4.268 -5.332 12.888 1.00 63.51 H new ATOM 976 N ILE A 69 -2.656 -7.272 10.712 1.00 23.54 N ATOM 977 CA ILE A 69 -3.095 -7.915 9.477 1.00 64.41 C ATOM 978 C ILE A 69 -4.304 -8.736 9.896 1.00 73.13 C ATOM 979 O ILE A 69 -4.262 -9.372 10.952 1.00 62.24 O ATOM 980 CB ILE A 69 -1.961 -8.823 8.942 1.00 73.21 C ATOM 981 CG1 ILE A 69 -0.781 -7.952 8.467 1.00 25.14 C ATOM 982 CG2 ILE A 69 -2.374 -9.797 7.813 1.00 52.11 C ATOM 983 CD1 ILE A 69 0.577 -8.599 8.657 1.00 25.23 C ATOM 0 H ILE A 69 -2.524 -7.955 11.458 1.00 23.54 H new ATOM 0 HA ILE A 69 -3.339 -7.211 8.681 1.00 64.41 H new ATOM 0 HB ILE A 69 -1.677 -9.457 9.782 1.00 73.21 H new ATOM 0 HG12 ILE A 69 -0.917 -7.719 7.411 1.00 25.14 H new ATOM 0 HG13 ILE A 69 -0.800 -7.006 9.007 1.00 25.14 H new ATOM 0 HG21 ILE A 69 -1.510 -10.388 7.508 1.00 52.11 H new ATOM 0 HG22 ILE A 69 -3.159 -10.462 8.175 1.00 52.11 H new ATOM 0 HG23 ILE A 69 -2.745 -9.229 6.960 1.00 52.11 H new ATOM 0 HD11 ILE A 69 1.355 -7.924 8.299 1.00 25.23 H new ATOM 0 HD12 ILE A 69 0.736 -8.807 9.715 1.00 25.23 H new ATOM 0 HD13 ILE A 69 0.618 -9.531 8.094 1.00 25.23 H new ATOM 994 N THR A 70 -5.346 -8.760 9.067 1.00 22.40 N ATOM 995 CA THR A 70 -6.529 -9.553 9.365 1.00 71.53 C ATOM 996 C THR A 70 -7.086 -10.007 8.030 1.00 62.55 C ATOM 997 O THR A 70 -7.408 -9.147 7.211 1.00 4.20 O ATOM 998 CB THR A 70 -7.576 -8.731 10.140 1.00 12.01 C ATOM 999 OG1 THR A 70 -7.095 -8.329 11.406 1.00 23.44 O ATOM 1000 CG2 THR A 70 -8.835 -9.563 10.380 1.00 62.54 C ATOM 0 H THR A 70 -5.392 -8.242 8.190 1.00 22.40 H new ATOM 0 HA THR A 70 -6.274 -10.402 9.999 1.00 71.53 H new ATOM 0 HB THR A 70 -7.793 -7.853 9.532 1.00 12.01 H new ATOM 0 HG1 THR A 70 -7.785 -7.809 11.868 1.00 23.44 H new ATOM 0 HG21 THR A 70 -9.565 -8.968 10.929 1.00 62.54 H new ATOM 0 HG22 THR A 70 -9.259 -9.865 9.423 1.00 62.54 H new ATOM 0 HG23 THR A 70 -8.580 -10.450 10.960 1.00 62.54 H new ATOM 1008 N PRO A 71 -7.156 -11.317 7.770 1.00 21.50 N ATOM 1009 CA PRO A 71 -7.684 -11.838 6.528 1.00 21.41 C ATOM 1010 C PRO A 71 -9.202 -11.671 6.481 1.00 30.11 C ATOM 1011 O PRO A 71 -9.889 -11.773 7.501 1.00 72.11 O ATOM 1012 CB PRO A 71 -7.254 -13.309 6.496 1.00 53.33 C ATOM 1013 CG PRO A 71 -7.134 -13.681 7.975 1.00 5.41 C ATOM 1014 CD PRO A 71 -6.721 -12.388 8.649 1.00 4.32 C ATOM 0 HA PRO A 71 -7.307 -11.307 5.654 1.00 21.41 H new ATOM 0 HB2 PRO A 71 -7.989 -13.931 5.985 1.00 53.33 H new ATOM 0 HB3 PRO A 71 -6.307 -13.439 5.972 1.00 53.33 H new ATOM 0 HG2 PRO A 71 -8.079 -14.052 8.371 1.00 5.41 H new ATOM 0 HG3 PRO A 71 -6.393 -14.466 8.130 1.00 5.41 H new ATOM 0 HD2 PRO A 71 -7.183 -12.297 9.632 1.00 4.32 H new ATOM 0 HD3 PRO A 71 -5.642 -12.355 8.799 1.00 4.32 H new ATOM 1019 N VAL A 72 -9.725 -11.469 5.277 1.00 53.22 N ATOM 1020 CA VAL A 72 -11.141 -11.483 4.954 1.00 44.12 C ATOM 1021 C VAL A 72 -11.284 -12.348 3.702 1.00 72.22 C ATOM 1022 O VAL A 72 -10.577 -12.154 2.710 1.00 70.44 O ATOM 1023 CB VAL A 72 -11.686 -10.050 4.805 1.00 62.14 C ATOM 1024 CG1 VAL A 72 -13.172 -10.050 4.425 1.00 65.32 C ATOM 1025 CG2 VAL A 72 -11.559 -9.260 6.120 1.00 73.45 C ATOM 0 H VAL A 72 -9.141 -11.282 4.462 1.00 53.22 H new ATOM 0 HA VAL A 72 -11.747 -11.913 5.751 1.00 44.12 H new ATOM 0 HB VAL A 72 -11.091 -9.584 4.019 1.00 62.14 H new ATOM 0 HG11 VAL A 72 -13.523 -9.023 4.328 1.00 65.32 H new ATOM 0 HG12 VAL A 72 -13.305 -10.570 3.476 1.00 65.32 H new ATOM 0 HG13 VAL A 72 -13.746 -10.558 5.200 1.00 65.32 H new ATOM 0 HG21 VAL A 72 -11.953 -8.253 5.979 1.00 73.45 H new ATOM 0 HG22 VAL A 72 -12.124 -9.765 6.904 1.00 73.45 H new ATOM 0 HG23 VAL A 72 -10.510 -9.202 6.410 1.00 73.45 H new ATOM 1035 N GLY A 73 -12.164 -13.348 3.760 1.00 74.55 N ATOM 1036 CA GLY A 73 -12.621 -14.087 2.591 1.00 21.13 C ATOM 1037 C GLY A 73 -11.581 -14.985 1.924 1.00 11.32 C ATOM 1038 O GLY A 73 -11.816 -15.410 0.797 1.00 43.41 O ATOM 0 H GLY A 73 -12.583 -13.669 4.633 1.00 74.55 H new ATOM 0 HA2 GLY A 73 -13.471 -14.703 2.884 1.00 21.13 H new ATOM 0 HA3 GLY A 73 -12.984 -13.373 1.852 1.00 21.13 H new ATOM 1042 N ASN A 74 -10.438 -15.240 2.576 1.00 33.34 N ATOM 1043 CA ASN A 74 -9.231 -15.928 2.078 1.00 33.21 C ATOM 1044 C ASN A 74 -8.433 -15.089 1.078 1.00 21.42 C ATOM 1045 O ASN A 74 -7.261 -15.378 0.852 1.00 74.24 O ATOM 1046 CB ASN A 74 -9.505 -17.271 1.373 1.00 43.14 C ATOM 1047 CG ASN A 74 -10.284 -18.280 2.185 1.00 60.42 C ATOM 1048 OD1 ASN A 74 -11.485 -18.444 1.970 1.00 4.32 O ATOM 1049 ND2 ASN A 74 -9.629 -18.990 3.086 1.00 15.21 N ATOM 0 H ASN A 74 -10.321 -14.947 3.546 1.00 33.34 H new ATOM 0 HA ASN A 74 -8.668 -16.098 2.996 1.00 33.21 H new ATOM 0 HB2 ASN A 74 -10.050 -17.073 0.450 1.00 43.14 H new ATOM 0 HB3 ASN A 74 -8.551 -17.716 1.091 1.00 43.14 H new ATOM 0 HD21 ASN A 74 -10.119 -19.701 3.630 1.00 15.21 H new ATOM 0 HD22 ASN A 74 -8.634 -18.828 3.238 1.00 15.21 H new ATOM 1055 N TYR A 75 -9.045 -14.094 0.442 1.00 22.23 N ATOM 1056 CA TYR A 75 -8.515 -13.437 -0.747 1.00 40.45 C ATOM 1057 C TYR A 75 -7.966 -12.036 -0.470 1.00 15.23 C ATOM 1058 O TYR A 75 -7.608 -11.325 -1.406 1.00 2.31 O ATOM 1059 CB TYR A 75 -9.574 -13.475 -1.864 1.00 55.04 C ATOM 1060 CG TYR A 75 -11.035 -13.242 -1.495 1.00 21.32 C ATOM 1061 CD1 TYR A 75 -11.432 -12.315 -0.507 1.00 4.22 C ATOM 1062 CD2 TYR A 75 -12.018 -14.010 -2.149 1.00 44.01 C ATOM 1063 CE1 TYR A 75 -12.793 -12.128 -0.211 1.00 3.03 C ATOM 1064 CE2 TYR A 75 -13.374 -13.871 -1.815 1.00 1.02 C ATOM 1065 CZ TYR A 75 -13.768 -12.937 -0.836 1.00 2.21 C ATOM 1066 OH TYR A 75 -15.074 -12.880 -0.465 1.00 42.02 O ATOM 0 H TYR A 75 -9.942 -13.715 0.746 1.00 22.23 H new ATOM 0 HA TYR A 75 -7.642 -13.992 -1.089 1.00 40.45 H new ATOM 0 HB2 TYR A 75 -9.297 -12.727 -2.607 1.00 55.04 H new ATOM 0 HB3 TYR A 75 -9.507 -14.448 -2.350 1.00 55.04 H new ATOM 0 HD1 TYR A 75 -10.684 -11.745 0.025 1.00 4.22 H new ATOM 0 HD2 TYR A 75 -11.725 -14.713 -2.915 1.00 44.01 H new ATOM 0 HE1 TYR A 75 -13.093 -11.367 0.494 1.00 3.03 H new ATOM 0 HE2 TYR A 75 -14.116 -14.480 -2.309 1.00 1.02 H new ATOM 0 HH TYR A 75 -15.596 -13.508 -1.007 1.00 42.02 H new ATOM 1075 N ALA A 76 -7.924 -11.592 0.782 1.00 42.31 N ATOM 1076 CA ALA A 76 -7.484 -10.263 1.166 1.00 55.05 C ATOM 1077 C ALA A 76 -7.305 -10.229 2.648 1.00 35.44 C ATOM 1078 O ALA A 76 -7.657 -11.145 3.388 1.00 32.33 O ATOM 1079 CB ALA A 76 -8.552 -9.238 0.742 1.00 13.20 C ATOM 0 H ALA A 76 -8.204 -12.166 1.577 1.00 42.31 H new ATOM 0 HA ALA A 76 -6.540 -10.019 0.679 1.00 55.05 H new ATOM 0 HB1 ALA A 76 -8.229 -8.237 1.027 1.00 13.20 H new ATOM 0 HB2 ALA A 76 -8.689 -9.281 -0.338 1.00 13.20 H new ATOM 0 HB3 ALA A 76 -9.495 -9.469 1.237 1.00 13.20 H new ATOM 1085 N VAL A 77 -6.742 -9.101 3.007 1.00 22.54 N ATOM 1086 CA VAL A 77 -6.382 -8.576 4.269 1.00 64.15 C ATOM 1087 C VAL A 77 -6.830 -7.131 4.396 1.00 54.33 C ATOM 1088 O VAL A 77 -7.122 -6.422 3.432 1.00 53.22 O ATOM 1089 CB VAL A 77 -4.893 -8.895 4.486 1.00 10.44 C ATOM 1090 CG1 VAL A 77 -4.249 -7.991 5.462 1.00 43.32 C ATOM 1091 CG2 VAL A 77 -4.690 -10.328 5.011 1.00 12.40 C ATOM 0 H VAL A 77 -6.492 -8.431 2.280 1.00 22.54 H new ATOM 0 HA VAL A 77 -6.905 -9.042 5.104 1.00 64.15 H new ATOM 0 HB VAL A 77 -4.436 -8.768 3.505 1.00 10.44 H new ATOM 0 HG11 VAL A 77 -3.200 -8.264 5.574 1.00 43.32 H new ATOM 0 HG12 VAL A 77 -4.320 -6.963 5.108 1.00 43.32 H new ATOM 0 HG13 VAL A 77 -4.751 -8.078 6.425 1.00 43.32 H new ATOM 0 HG21 VAL A 77 -3.626 -10.516 5.152 1.00 12.40 H new ATOM 0 HG22 VAL A 77 -5.208 -10.444 5.963 1.00 12.40 H new ATOM 0 HG23 VAL A 77 -5.092 -11.040 4.290 1.00 12.40 H new ATOM 1101 N LYS A 78 -6.966 -6.776 5.658 1.00 43.23 N ATOM 1102 CA LYS A 78 -7.189 -5.491 6.267 1.00 43.04 C ATOM 1103 C LYS A 78 -5.809 -5.056 6.738 1.00 52.05 C ATOM 1104 O LYS A 78 -5.306 -5.565 7.740 1.00 11.40 O ATOM 1105 CB LYS A 78 -8.211 -5.685 7.410 1.00 3.11 C ATOM 1106 CG LYS A 78 -9.333 -4.638 7.428 1.00 61.51 C ATOM 1107 CD LYS A 78 -10.382 -4.975 8.496 1.00 41.04 C ATOM 1108 CE LYS A 78 -11.281 -6.133 8.037 1.00 12.30 C ATOM 1109 NZ LYS A 78 -12.573 -5.651 7.508 1.00 32.22 N ATOM 0 H LYS A 78 -6.914 -7.495 6.380 1.00 43.23 H new ATOM 0 HA LYS A 78 -7.607 -4.726 5.613 1.00 43.04 H new ATOM 0 HB2 LYS A 78 -8.655 -6.677 7.322 1.00 3.11 H new ATOM 0 HB3 LYS A 78 -7.684 -5.655 8.364 1.00 3.11 H new ATOM 0 HG2 LYS A 78 -8.912 -3.652 7.625 1.00 61.51 H new ATOM 0 HG3 LYS A 78 -9.808 -4.592 6.448 1.00 61.51 H new ATOM 0 HD2 LYS A 78 -9.884 -5.243 9.428 1.00 41.04 H new ATOM 0 HD3 LYS A 78 -10.992 -4.096 8.702 1.00 41.04 H new ATOM 0 HE2 LYS A 78 -10.766 -6.709 7.268 1.00 12.30 H new ATOM 0 HE3 LYS A 78 -11.460 -6.807 8.874 1.00 12.30 H new ATOM 0 HZ1 LYS A 78 -13.150 -6.463 7.209 1.00 32.22 H new ATOM 0 HZ2 LYS A 78 -13.076 -5.122 8.249 1.00 32.22 H new ATOM 0 HZ3 LYS A 78 -12.404 -5.028 6.693 1.00 32.22 H new ATOM 1119 N LEU A 79 -5.137 -4.235 5.934 1.00 33.20 N ATOM 1120 CA LEU A 79 -3.908 -3.568 6.338 1.00 72.23 C ATOM 1121 C LEU A 79 -4.375 -2.399 7.179 1.00 70.14 C ATOM 1122 O LEU A 79 -4.886 -1.426 6.625 1.00 2.41 O ATOM 1123 CB LEU A 79 -3.113 -3.074 5.112 1.00 73.54 C ATOM 1124 CG LEU A 79 -1.935 -3.973 4.702 1.00 73.15 C ATOM 1125 CD1 LEU A 79 -2.276 -5.459 4.647 1.00 51.05 C ATOM 1126 CD2 LEU A 79 -1.466 -3.556 3.316 1.00 42.24 C ATOM 0 H LEU A 79 -5.432 -4.015 4.983 1.00 33.20 H new ATOM 0 HA LEU A 79 -3.238 -4.235 6.881 1.00 72.23 H new ATOM 0 HB2 LEU A 79 -3.795 -2.985 4.266 1.00 73.54 H new ATOM 0 HB3 LEU A 79 -2.733 -2.074 5.322 1.00 73.54 H new ATOM 0 HG LEU A 79 -1.169 -3.843 5.467 1.00 73.15 H new ATOM 0 HD11 LEU A 79 -1.393 -6.024 4.350 1.00 51.05 H new ATOM 0 HD12 LEU A 79 -2.607 -5.793 5.630 1.00 51.05 H new ATOM 0 HD13 LEU A 79 -3.072 -5.623 3.921 1.00 51.05 H new ATOM 0 HD21 LEU A 79 -0.630 -4.185 3.010 1.00 42.24 H new ATOM 0 HD22 LEU A 79 -2.285 -3.670 2.605 1.00 42.24 H new ATOM 0 HD23 LEU A 79 -1.147 -2.514 3.338 1.00 42.24 H new ATOM 1137 N VAL A 80 -4.304 -2.525 8.497 1.00 14.01 N ATOM 1138 CA VAL A 80 -4.796 -1.476 9.372 1.00 14.04 C ATOM 1139 C VAL A 80 -3.678 -0.479 9.674 1.00 52.42 C ATOM 1140 O VAL A 80 -2.537 -0.870 9.942 1.00 22.21 O ATOM 1141 CB VAL A 80 -5.496 -2.073 10.597 1.00 10.03 C ATOM 1142 CG1 VAL A 80 -6.592 -3.071 10.206 1.00 23.44 C ATOM 1143 CG2 VAL A 80 -4.606 -2.764 11.609 1.00 64.35 C ATOM 0 H VAL A 80 -3.914 -3.336 8.978 1.00 14.01 H new ATOM 0 HA VAL A 80 -5.572 -0.895 8.873 1.00 14.04 H new ATOM 0 HB VAL A 80 -5.905 -1.183 11.076 1.00 10.03 H new ATOM 0 HG11 VAL A 80 -7.060 -3.468 11.106 1.00 23.44 H new ATOM 0 HG12 VAL A 80 -7.343 -2.567 9.598 1.00 23.44 H new ATOM 0 HG13 VAL A 80 -6.153 -3.889 9.635 1.00 23.44 H new ATOM 0 HG21 VAL A 80 -5.215 -3.145 12.429 1.00 64.35 H new ATOM 0 HG22 VAL A 80 -4.084 -3.592 11.129 1.00 64.35 H new ATOM 0 HG23 VAL A 80 -3.877 -2.053 11.998 1.00 64.35 H new ATOM 1153 N PHE A 81 -3.998 0.811 9.581 1.00 50.33 N ATOM 1154 CA PHE A 81 -3.062 1.916 9.703 1.00 43.03 C ATOM 1155 C PHE A 81 -3.274 2.569 11.062 1.00 10.43 C ATOM 1156 O PHE A 81 -4.403 2.920 11.419 1.00 61.35 O ATOM 1157 CB PHE A 81 -3.322 2.936 8.580 1.00 51.44 C ATOM 1158 CG PHE A 81 -3.171 2.371 7.180 1.00 61.41 C ATOM 1159 CD1 PHE A 81 -1.912 2.345 6.558 1.00 30.11 C ATOM 1160 CD2 PHE A 81 -4.280 1.836 6.501 1.00 4.23 C ATOM 1161 CE1 PHE A 81 -1.742 1.728 5.309 1.00 71.24 C ATOM 1162 CE2 PHE A 81 -4.120 1.236 5.243 1.00 4.34 C ATOM 1163 CZ PHE A 81 -2.847 1.155 4.658 1.00 21.53 C ATOM 0 H PHE A 81 -4.955 1.122 9.412 1.00 50.33 H new ATOM 0 HA PHE A 81 -2.036 1.559 9.618 1.00 43.03 H new ATOM 0 HB2 PHE A 81 -4.330 3.334 8.692 1.00 51.44 H new ATOM 0 HB3 PHE A 81 -2.634 3.773 8.698 1.00 51.44 H new ATOM 0 HD1 PHE A 81 -1.065 2.805 7.046 1.00 30.11 H new ATOM 0 HD2 PHE A 81 -5.261 1.887 6.951 1.00 4.23 H new ATOM 0 HE1 PHE A 81 -0.765 1.694 4.850 1.00 71.24 H new ATOM 0 HE2 PHE A 81 -4.978 0.836 4.724 1.00 4.34 H new ATOM 0 HZ PHE A 81 -2.717 0.654 3.710 1.00 21.53 H new ATOM 1172 N ASP A 82 -2.186 2.767 11.803 1.00 72.31 N ATOM 1173 CA ASP A 82 -2.151 3.424 13.113 1.00 51.21 C ATOM 1174 C ASP A 82 -2.601 4.893 13.032 1.00 41.45 C ATOM 1175 O ASP A 82 -3.126 5.446 13.995 1.00 10.03 O ATOM 1176 CB ASP A 82 -0.715 3.297 13.632 1.00 74.21 C ATOM 1177 CG ASP A 82 -0.552 3.742 15.077 1.00 71.35 C ATOM 1178 OD1 ASP A 82 -0.308 4.939 15.329 1.00 22.10 O ATOM 1179 OD2 ASP A 82 -0.552 2.848 15.948 1.00 24.34 O ATOM 0 H ASP A 82 -1.263 2.461 11.496 1.00 72.31 H new ATOM 0 HA ASP A 82 -2.851 2.946 13.798 1.00 51.21 H new ATOM 0 HB2 ASP A 82 -0.394 2.259 13.541 1.00 74.21 H new ATOM 0 HB3 ASP A 82 -0.055 3.891 13.000 1.00 74.21 H new ATOM 1183 N ASP A 83 -2.517 5.484 11.833 1.00 10.24 N ATOM 1184 CA ASP A 83 -3.060 6.782 11.387 1.00 42.13 C ATOM 1185 C ASP A 83 -4.603 6.796 11.345 1.00 74.31 C ATOM 1186 O ASP A 83 -5.217 7.598 10.635 1.00 33.24 O ATOM 1187 CB ASP A 83 -2.411 7.094 10.023 1.00 44.42 C ATOM 1188 CG ASP A 83 -2.730 8.446 9.368 1.00 50.42 C ATOM 1189 OD1 ASP A 83 -2.832 9.484 10.052 1.00 4.03 O ATOM 1190 OD2 ASP A 83 -2.812 8.503 8.115 1.00 44.12 O ATOM 0 H ASP A 83 -2.018 5.022 11.073 1.00 10.24 H new ATOM 0 HA ASP A 83 -2.812 7.566 12.102 1.00 42.13 H new ATOM 0 HB2 ASP A 83 -1.330 7.028 10.144 1.00 44.42 H new ATOM 0 HB3 ASP A 83 -2.702 6.308 9.326 1.00 44.42 H new ATOM 1194 N GLY A 84 -5.253 5.904 12.097 1.00 22.31 N ATOM 1195 CA GLY A 84 -6.679 5.869 12.349 1.00 2.24 C ATOM 1196 C GLY A 84 -7.397 5.363 11.114 1.00 10.23 C ATOM 1197 O GLY A 84 -8.231 6.079 10.557 1.00 73.14 O ATOM 0 H GLY A 84 -4.760 5.146 12.570 1.00 22.31 H new ATOM 0 HA2 GLY A 84 -6.893 5.221 13.199 1.00 2.24 H new ATOM 0 HA3 GLY A 84 -7.038 6.865 12.609 1.00 2.24 H new ATOM 1201 N HIS A 85 -7.034 4.169 10.636 1.00 33.31 N ATOM 1202 CA HIS A 85 -7.731 3.552 9.520 1.00 62.14 C ATOM 1203 C HIS A 85 -7.592 2.027 9.578 1.00 70.45 C ATOM 1204 O HIS A 85 -6.784 1.434 8.858 1.00 30.51 O ATOM 1205 CB HIS A 85 -7.264 4.180 8.185 1.00 24.34 C ATOM 1206 CG HIS A 85 -8.384 4.455 7.215 1.00 14.11 C ATOM 1207 ND1 HIS A 85 -8.475 4.021 5.911 1.00 65.53 N ATOM 1208 CD2 HIS A 85 -9.445 5.289 7.445 1.00 25.50 C ATOM 1209 CE1 HIS A 85 -9.553 4.609 5.365 1.00 13.33 C ATOM 1210 NE2 HIS A 85 -10.157 5.418 6.251 1.00 23.40 N ATOM 0 H HIS A 85 -6.262 3.617 11.009 1.00 33.31 H new ATOM 0 HA HIS A 85 -8.800 3.754 9.590 1.00 62.14 H new ATOM 0 HB2 HIS A 85 -6.742 5.113 8.397 1.00 24.34 H new ATOM 0 HB3 HIS A 85 -6.543 3.512 7.713 1.00 24.34 H new ATOM 0 HD2 HIS A 85 -9.688 5.763 8.384 1.00 25.50 H new ATOM 0 HE1 HIS A 85 -9.889 4.452 4.350 1.00 13.33 H new ATOM 0 HE2 HIS A 85 -10.972 6.008 6.085 1.00 23.40 H new ATOM 1217 N ASP A 86 -8.380 1.363 10.428 1.00 73.23 N ATOM 1218 CA ASP A 86 -8.540 -0.100 10.378 1.00 54.44 C ATOM 1219 C ASP A 86 -9.511 -0.545 9.280 1.00 51.02 C ATOM 1220 O ASP A 86 -9.810 -1.731 9.144 1.00 61.14 O ATOM 1221 CB ASP A 86 -8.962 -0.697 11.729 1.00 12.22 C ATOM 1222 CG ASP A 86 -10.448 -0.455 12.016 1.00 33.24 C ATOM 1223 OD1 ASP A 86 -10.819 0.703 12.298 1.00 11.10 O ATOM 1224 OD2 ASP A 86 -11.271 -1.396 11.890 1.00 21.30 O ATOM 0 H ASP A 86 -8.922 1.815 11.165 1.00 73.23 H new ATOM 0 HA ASP A 86 -7.551 -0.489 10.135 1.00 54.44 H new ATOM 0 HB2 ASP A 86 -8.760 -1.768 11.732 1.00 12.22 H new ATOM 0 HB3 ASP A 86 -8.361 -0.257 12.525 1.00 12.22 H new ATOM 1228 N THR A 87 -10.016 0.395 8.492 1.00 11.32 N ATOM 1229 CA THR A 87 -11.072 0.198 7.528 1.00 51.24 C ATOM 1230 C THR A 87 -10.470 0.300 6.124 1.00 65.32 C ATOM 1231 O THR A 87 -10.184 1.385 5.614 1.00 30.20 O ATOM 1232 CB THR A 87 -12.195 1.201 7.851 1.00 11.44 C ATOM 1233 OG1 THR A 87 -11.699 2.443 8.330 1.00 3.42 O ATOM 1234 CG2 THR A 87 -13.079 0.617 8.955 1.00 44.23 C ATOM 0 H THR A 87 -9.680 1.358 8.514 1.00 11.32 H new ATOM 0 HA THR A 87 -11.530 -0.790 7.574 1.00 51.24 H new ATOM 0 HB THR A 87 -12.742 1.374 6.924 1.00 11.44 H new ATOM 0 HG1 THR A 87 -12.450 3.044 8.518 1.00 3.42 H new ATOM 0 HG21 THR A 87 -13.878 1.320 9.191 1.00 44.23 H new ATOM 0 HG22 THR A 87 -13.512 -0.324 8.615 1.00 44.23 H new ATOM 0 HG23 THR A 87 -12.478 0.438 9.846 1.00 44.23 H new ATOM 1242 N GLY A 88 -10.227 -0.844 5.487 1.00 32.51 N ATOM 1243 CA GLY A 88 -9.649 -0.885 4.161 1.00 71.42 C ATOM 1244 C GLY A 88 -9.348 -2.326 3.811 1.00 52.31 C ATOM 1245 O GLY A 88 -8.890 -3.096 4.650 1.00 41.02 O ATOM 0 H GLY A 88 -10.428 -1.763 5.882 1.00 32.51 H new ATOM 0 HA2 GLY A 88 -10.338 -0.455 3.434 1.00 71.42 H new ATOM 0 HA3 GLY A 88 -8.737 -0.289 4.127 1.00 71.42 H new ATOM 1249 N LEU A 89 -9.606 -2.697 2.565 1.00 25.42 N ATOM 1250 CA LEU A 89 -9.378 -4.029 2.033 1.00 62.54 C ATOM 1251 C LEU A 89 -8.264 -3.940 1.006 1.00 10.00 C ATOM 1252 O LEU A 89 -8.188 -2.980 0.238 1.00 13.30 O ATOM 1253 CB LEU A 89 -10.672 -4.536 1.370 1.00 44.42 C ATOM 1254 CG LEU A 89 -11.422 -5.609 2.160 1.00 45.04 C ATOM 1255 CD1 LEU A 89 -10.710 -6.954 2.051 1.00 3.33 C ATOM 1256 CD2 LEU A 89 -11.701 -5.226 3.618 1.00 2.10 C ATOM 0 H LEU A 89 -9.993 -2.055 1.874 1.00 25.42 H new ATOM 0 HA LEU A 89 -9.096 -4.721 2.826 1.00 62.54 H new ATOM 0 HB2 LEU A 89 -11.339 -3.688 1.213 1.00 44.42 H new ATOM 0 HB3 LEU A 89 -10.427 -4.935 0.386 1.00 44.42 H new ATOM 0 HG LEU A 89 -12.406 -5.698 1.699 1.00 45.04 H new ATOM 0 HD11 LEU A 89 -11.260 -7.704 2.620 1.00 3.33 H new ATOM 0 HD12 LEU A 89 -10.661 -7.256 1.005 1.00 3.33 H new ATOM 0 HD13 LEU A 89 -9.700 -6.864 2.450 1.00 3.33 H new ATOM 0 HD21 LEU A 89 -12.236 -6.038 4.111 1.00 2.10 H new ATOM 0 HD22 LEU A 89 -10.758 -5.046 4.134 1.00 2.10 H new ATOM 0 HD23 LEU A 89 -12.308 -4.321 3.647 1.00 2.10 H new ATOM 1267 N TYR A 90 -7.425 -4.963 1.000 1.00 43.15 N ATOM 1268 CA TYR A 90 -6.161 -5.021 0.290 1.00 62.22 C ATOM 1269 C TYR A 90 -6.051 -6.439 -0.251 1.00 64.32 C ATOM 1270 O TYR A 90 -5.835 -7.404 0.489 1.00 4.34 O ATOM 1271 CB TYR A 90 -5.012 -4.644 1.235 1.00 1.44 C ATOM 1272 CG TYR A 90 -4.894 -3.159 1.514 1.00 14.41 C ATOM 1273 CD1 TYR A 90 -5.755 -2.537 2.445 1.00 43.42 C ATOM 1274 CD2 TYR A 90 -3.955 -2.392 0.798 1.00 1.30 C ATOM 1275 CE1 TYR A 90 -5.721 -1.141 2.614 1.00 62.42 C ATOM 1276 CE2 TYR A 90 -3.895 -1.000 0.976 1.00 25.11 C ATOM 1277 CZ TYR A 90 -4.803 -0.371 1.863 1.00 45.33 C ATOM 1278 OH TYR A 90 -4.819 0.981 1.992 1.00 22.52 O ATOM 0 H TYR A 90 -7.619 -5.820 1.518 1.00 43.15 H new ATOM 0 HA TYR A 90 -6.106 -4.310 -0.534 1.00 62.22 H new ATOM 0 HB2 TYR A 90 -5.148 -5.169 2.180 1.00 1.44 H new ATOM 0 HB3 TYR A 90 -4.074 -4.997 0.806 1.00 1.44 H new ATOM 0 HD1 TYR A 90 -6.440 -3.134 3.028 1.00 43.42 H new ATOM 0 HD2 TYR A 90 -3.278 -2.876 0.109 1.00 1.30 H new ATOM 0 HE1 TYR A 90 -6.391 -0.661 3.312 1.00 62.42 H new ATOM 0 HE2 TYR A 90 -3.162 -0.414 0.441 1.00 25.11 H new ATOM 0 HH TYR A 90 -4.034 1.362 1.545 1.00 22.52 H new ATOM 1287 N SER A 91 -6.339 -6.570 -1.542 1.00 63.43 N ATOM 1288 CA SER A 91 -6.269 -7.814 -2.286 1.00 42.15 C ATOM 1289 C SER A 91 -4.809 -8.156 -2.583 1.00 0.04 C ATOM 1290 O SER A 91 -3.941 -7.283 -2.642 1.00 1.44 O ATOM 1291 CB SER A 91 -7.120 -7.627 -3.546 1.00 75.15 C ATOM 1292 OG SER A 91 -6.859 -8.553 -4.571 1.00 24.54 O ATOM 0 H SER A 91 -6.638 -5.782 -2.116 1.00 63.43 H new ATOM 0 HA SER A 91 -6.662 -8.660 -1.722 1.00 42.15 H new ATOM 0 HB2 SER A 91 -8.173 -7.696 -3.271 1.00 75.15 H new ATOM 0 HB3 SER A 91 -6.957 -6.621 -3.933 1.00 75.15 H new ATOM 0 HG SER A 91 -7.442 -8.367 -5.336 1.00 24.54 H new ATOM 1297 N TRP A 92 -4.546 -9.434 -2.842 1.00 15.31 N ATOM 1298 CA TRP A 92 -3.247 -9.936 -3.251 1.00 24.10 C ATOM 1299 C TRP A 92 -2.791 -9.252 -4.540 1.00 35.24 C ATOM 1300 O TRP A 92 -1.648 -8.809 -4.613 1.00 75.33 O ATOM 1301 CB TRP A 92 -3.313 -11.458 -3.422 1.00 64.22 C ATOM 1302 CG TRP A 92 -3.933 -12.247 -2.303 1.00 35.53 C ATOM 1303 CD1 TRP A 92 -4.633 -13.393 -2.473 1.00 73.52 C ATOM 1304 CD2 TRP A 92 -3.951 -11.987 -0.861 1.00 34.54 C ATOM 1305 NE1 TRP A 92 -5.081 -13.855 -1.258 1.00 62.31 N ATOM 1306 CE2 TRP A 92 -4.653 -13.054 -0.225 1.00 34.11 C ATOM 1307 CE3 TRP A 92 -3.450 -10.969 -0.016 1.00 31.24 C ATOM 1308 CZ2 TRP A 92 -4.803 -13.131 1.164 1.00 40.45 C ATOM 1309 CZ3 TRP A 92 -3.575 -11.045 1.384 1.00 61.15 C ATOM 1310 CH2 TRP A 92 -4.227 -12.141 1.970 1.00 64.35 C ATOM 0 H TRP A 92 -5.253 -10.165 -2.770 1.00 15.31 H new ATOM 0 HA TRP A 92 -2.513 -9.707 -2.479 1.00 24.10 H new ATOM 0 HB2 TRP A 92 -3.869 -11.672 -4.335 1.00 64.22 H new ATOM 0 HB3 TRP A 92 -2.298 -11.826 -3.573 1.00 64.22 H new ATOM 0 HD1 TRP A 92 -4.813 -13.874 -3.423 1.00 73.52 H new ATOM 0 HE1 TRP A 92 -5.658 -14.687 -1.138 1.00 62.31 H new ATOM 0 HE3 TRP A 92 -2.960 -10.113 -0.456 1.00 31.24 H new ATOM 0 HZ2 TRP A 92 -5.357 -13.944 1.609 1.00 40.45 H new ATOM 0 HZ3 TRP A 92 -3.170 -10.261 2.006 1.00 61.15 H new ATOM 0 HH2 TRP A 92 -4.285 -12.221 3.045 1.00 64.35 H new ATOM 1320 N LYS A 93 -3.684 -9.097 -5.530 1.00 4.24 N ATOM 1321 CA LYS A 93 -3.334 -8.415 -6.778 1.00 40.05 C ATOM 1322 C LYS A 93 -2.961 -6.970 -6.504 1.00 41.35 C ATOM 1323 O LYS A 93 -1.943 -6.505 -7.000 1.00 21.23 O ATOM 1324 CB LYS A 93 -4.474 -8.514 -7.805 1.00 11.42 C ATOM 1325 CG LYS A 93 -4.132 -7.827 -9.147 1.00 55.15 C ATOM 1326 CD LYS A 93 -4.792 -6.443 -9.262 1.00 2.43 C ATOM 1327 CE LYS A 93 -4.064 -5.441 -10.163 1.00 34.22 C ATOM 1328 NZ LYS A 93 -4.218 -5.698 -11.608 1.00 74.43 N ATOM 0 H LYS A 93 -4.646 -9.433 -5.488 1.00 4.24 H new ATOM 0 HA LYS A 93 -2.466 -8.914 -7.209 1.00 40.05 H new ATOM 0 HB2 LYS A 93 -4.703 -9.564 -7.987 1.00 11.42 H new ATOM 0 HB3 LYS A 93 -5.373 -8.060 -7.388 1.00 11.42 H new ATOM 0 HG2 LYS A 93 -3.051 -7.723 -9.237 1.00 55.15 H new ATOM 0 HG3 LYS A 93 -4.462 -8.457 -9.973 1.00 55.15 H new ATOM 0 HD2 LYS A 93 -5.807 -6.573 -9.638 1.00 2.43 H new ATOM 0 HD3 LYS A 93 -4.875 -6.014 -8.263 1.00 2.43 H new ATOM 0 HE2 LYS A 93 -4.432 -4.439 -9.943 1.00 34.22 H new ATOM 0 HE3 LYS A 93 -3.003 -5.452 -9.915 1.00 34.22 H new ATOM 0 HZ1 LYS A 93 -3.696 -4.977 -12.146 1.00 74.43 H new ATOM 0 HZ2 LYS A 93 -3.841 -6.640 -11.835 1.00 74.43 H new ATOM 0 HZ3 LYS A 93 -5.226 -5.658 -11.862 1.00 74.43 H new ATOM 1338 N VAL A 94 -3.780 -6.281 -5.717 1.00 15.03 N ATOM 1339 CA VAL A 94 -3.566 -4.887 -5.349 1.00 63.35 C ATOM 1340 C VAL A 94 -2.176 -4.739 -4.706 1.00 34.10 C ATOM 1341 O VAL A 94 -1.437 -3.823 -5.063 1.00 33.52 O ATOM 1342 CB VAL A 94 -4.751 -4.446 -4.461 1.00 42.13 C ATOM 1343 CG1 VAL A 94 -4.549 -3.116 -3.722 1.00 54.14 C ATOM 1344 CG2 VAL A 94 -6.040 -4.379 -5.290 1.00 61.42 C ATOM 0 H VAL A 94 -4.625 -6.682 -5.310 1.00 15.03 H new ATOM 0 HA VAL A 94 -3.554 -4.218 -6.210 1.00 63.35 H new ATOM 0 HB VAL A 94 -4.822 -5.210 -3.686 1.00 42.13 H new ATOM 0 HG11 VAL A 94 -5.434 -2.893 -3.126 1.00 54.14 H new ATOM 0 HG12 VAL A 94 -3.681 -3.192 -3.068 1.00 54.14 H new ATOM 0 HG13 VAL A 94 -4.389 -2.318 -4.447 1.00 54.14 H new ATOM 0 HG21 VAL A 94 -6.867 -4.067 -4.652 1.00 61.42 H new ATOM 0 HG22 VAL A 94 -5.915 -3.660 -6.100 1.00 61.42 H new ATOM 0 HG23 VAL A 94 -6.255 -5.362 -5.708 1.00 61.42 H new ATOM 1354 N LEU A 95 -1.789 -5.642 -3.790 1.00 3.33 N ATOM 1355 CA LEU A 95 -0.456 -5.610 -3.183 1.00 75.21 C ATOM 1356 C LEU A 95 0.615 -5.800 -4.264 1.00 24.43 C ATOM 1357 O LEU A 95 1.536 -4.993 -4.323 1.00 22.14 O ATOM 1358 CB LEU A 95 -0.275 -6.676 -2.079 1.00 15.40 C ATOM 1359 CG LEU A 95 -1.134 -6.570 -0.796 1.00 51.12 C ATOM 1360 CD1 LEU A 95 -0.920 -7.767 0.137 1.00 12.00 C ATOM 1361 CD2 LEU A 95 -0.907 -5.274 -0.009 1.00 35.31 C ATOM 0 H LEU A 95 -2.383 -6.401 -3.456 1.00 3.33 H new ATOM 0 HA LEU A 95 -0.346 -4.634 -2.710 1.00 75.21 H new ATOM 0 HB2 LEU A 95 -0.468 -7.651 -2.526 1.00 15.40 H new ATOM 0 HB3 LEU A 95 0.772 -6.665 -1.777 1.00 15.40 H new ATOM 0 HG LEU A 95 -2.164 -6.565 -1.154 1.00 51.12 H new ATOM 0 HD11 LEU A 95 -1.542 -7.652 1.025 1.00 12.00 H new ATOM 0 HD12 LEU A 95 -1.194 -8.686 -0.381 1.00 12.00 H new ATOM 0 HD13 LEU A 95 0.128 -7.816 0.432 1.00 12.00 H new ATOM 0 HD21 LEU A 95 -1.542 -5.270 0.877 1.00 35.31 H new ATOM 0 HD22 LEU A 95 0.138 -5.211 0.294 1.00 35.31 H new ATOM 0 HD23 LEU A 95 -1.155 -4.419 -0.637 1.00 35.31 H new ATOM 1372 N TYR A 96 0.496 -6.842 -5.099 1.00 0.01 N ATOM 1373 CA TYR A 96 1.454 -7.176 -6.158 1.00 75.33 C ATOM 1374 C TYR A 96 1.691 -5.974 -7.068 1.00 53.02 C ATOM 1375 O TYR A 96 2.826 -5.658 -7.413 1.00 44.12 O ATOM 1376 CB TYR A 96 0.950 -8.399 -6.966 1.00 32.32 C ATOM 1377 CG TYR A 96 1.986 -9.313 -7.623 1.00 72.23 C ATOM 1378 CD1 TYR A 96 3.206 -8.833 -8.149 1.00 32.41 C ATOM 1379 CD2 TYR A 96 1.718 -10.696 -7.703 1.00 42.42 C ATOM 1380 CE1 TYR A 96 4.150 -9.716 -8.703 1.00 4.02 C ATOM 1381 CE2 TYR A 96 2.671 -11.585 -8.237 1.00 11.01 C ATOM 1382 CZ TYR A 96 3.890 -11.101 -8.746 1.00 15.20 C ATOM 1383 OH TYR A 96 4.798 -11.973 -9.263 1.00 31.10 O ATOM 0 H TYR A 96 -0.290 -7.491 -5.054 1.00 0.01 H new ATOM 0 HA TYR A 96 2.408 -7.438 -5.700 1.00 75.33 H new ATOM 0 HB2 TYR A 96 0.343 -9.011 -6.299 1.00 32.32 H new ATOM 0 HB3 TYR A 96 0.288 -8.030 -7.750 1.00 32.32 H new ATOM 0 HD1 TYR A 96 3.417 -7.774 -8.125 1.00 32.41 H new ATOM 0 HD2 TYR A 96 0.771 -11.077 -7.351 1.00 42.42 H new ATOM 0 HE1 TYR A 96 5.079 -9.331 -9.098 1.00 4.02 H new ATOM 0 HE2 TYR A 96 2.465 -12.645 -8.256 1.00 11.01 H new ATOM 0 HH TYR A 96 4.444 -12.885 -9.207 1.00 31.10 H new ATOM 1392 N ASP A 97 0.626 -5.302 -7.489 1.00 0.23 N ATOM 1393 CA ASP A 97 0.723 -4.307 -8.543 1.00 40.05 C ATOM 1394 C ASP A 97 1.528 -3.111 -8.084 1.00 13.00 C ATOM 1395 O ASP A 97 2.553 -2.802 -8.685 1.00 4.13 O ATOM 1396 CB ASP A 97 -0.678 -3.940 -9.058 1.00 54.05 C ATOM 1397 CG ASP A 97 -0.735 -3.878 -10.593 1.00 21.33 C ATOM 1398 OD1 ASP A 97 0.198 -4.350 -11.292 1.00 75.24 O ATOM 1399 OD2 ASP A 97 -1.811 -3.527 -11.118 1.00 73.15 O ATOM 0 H ASP A 97 -0.314 -5.430 -7.115 1.00 0.23 H new ATOM 0 HA ASP A 97 1.267 -4.727 -9.389 1.00 40.05 H new ATOM 0 HB2 ASP A 97 -1.399 -4.674 -8.699 1.00 54.05 H new ATOM 0 HB3 ASP A 97 -0.973 -2.975 -8.646 1.00 54.05 H new ATOM 1403 N LEU A 98 1.142 -2.519 -6.959 1.00 32.22 N ATOM 1404 CA LEU A 98 1.927 -1.513 -6.263 1.00 62.41 C ATOM 1405 C LEU A 98 3.349 -2.032 -6.021 1.00 35.50 C ATOM 1406 O LEU A 98 4.303 -1.327 -6.306 1.00 11.14 O ATOM 1407 CB LEU A 98 1.259 -1.242 -4.896 1.00 20.41 C ATOM 1408 CG LEU A 98 -0.062 -0.466 -5.005 1.00 1.22 C ATOM 1409 CD1 LEU A 98 -0.935 -0.636 -3.757 1.00 31.31 C ATOM 1410 CD2 LEU A 98 0.243 1.020 -5.146 1.00 74.12 C ATOM 0 H LEU A 98 0.257 -2.731 -6.499 1.00 32.22 H new ATOM 0 HA LEU A 98 1.975 -0.604 -6.862 1.00 62.41 H new ATOM 0 HB2 LEU A 98 1.073 -2.193 -4.396 1.00 20.41 H new ATOM 0 HB3 LEU A 98 1.950 -0.681 -4.267 1.00 20.41 H new ATOM 0 HG LEU A 98 -0.597 -0.858 -5.870 1.00 1.22 H new ATOM 0 HD11 LEU A 98 -1.858 -0.070 -3.879 1.00 31.31 H new ATOM 0 HD12 LEU A 98 -1.172 -1.691 -3.620 1.00 31.31 H new ATOM 0 HD13 LEU A 98 -0.397 -0.268 -2.884 1.00 31.31 H new ATOM 0 HD21 LEU A 98 -0.691 1.577 -5.224 1.00 74.12 H new ATOM 0 HD22 LEU A 98 0.798 1.362 -4.272 1.00 74.12 H new ATOM 0 HD23 LEU A 98 0.840 1.185 -6.043 1.00 74.12 H new ATOM 1421 N ALA A 99 3.512 -3.255 -5.506 1.00 15.04 N ATOM 1422 CA ALA A 99 4.800 -3.803 -5.071 1.00 2.00 C ATOM 1423 C ALA A 99 5.840 -3.860 -6.177 1.00 43.02 C ATOM 1424 O ALA A 99 7.034 -3.684 -5.917 1.00 0.01 O ATOM 1425 CB ALA A 99 4.615 -5.228 -4.544 1.00 73.31 C ATOM 0 H ALA A 99 2.736 -3.905 -5.377 1.00 15.04 H new ATOM 0 HA ALA A 99 5.159 -3.126 -4.296 1.00 2.00 H new ATOM 0 HB1 ALA A 99 5.578 -5.625 -4.224 1.00 73.31 H new ATOM 0 HB2 ALA A 99 3.928 -5.217 -3.698 1.00 73.31 H new ATOM 0 HB3 ALA A 99 4.207 -5.858 -5.334 1.00 73.31 H new ATOM 1431 N SER A 100 5.387 -4.193 -7.377 1.00 71.45 N ATOM 1432 CA SER A 100 6.194 -4.327 -8.570 1.00 44.35 C ATOM 1433 C SER A 100 6.379 -3.002 -9.304 1.00 40.41 C ATOM 1434 O SER A 100 7.170 -2.951 -10.249 1.00 75.12 O ATOM 1435 CB SER A 100 5.495 -5.369 -9.441 1.00 43.42 C ATOM 1436 OG SER A 100 5.899 -6.669 -9.031 1.00 21.24 O ATOM 0 H SER A 100 4.400 -4.385 -7.548 1.00 71.45 H new ATOM 0 HA SER A 100 7.205 -4.642 -8.314 1.00 44.35 H new ATOM 0 HB2 SER A 100 4.413 -5.267 -9.353 1.00 43.42 H new ATOM 0 HB3 SER A 100 5.746 -5.211 -10.490 1.00 43.42 H new ATOM 0 HG SER A 100 5.110 -7.243 -8.940 1.00 21.24 H new ATOM 1441 N ASN A 101 5.661 -1.958 -8.895 1.00 14.22 N ATOM 1442 CA ASN A 101 5.602 -0.663 -9.567 1.00 13.44 C ATOM 1443 C ASN A 101 5.761 0.502 -8.578 1.00 74.41 C ATOM 1444 O ASN A 101 5.214 1.581 -8.778 1.00 15.43 O ATOM 1445 CB ASN A 101 4.332 -0.577 -10.431 1.00 74.15 C ATOM 1446 CG ASN A 101 4.251 -1.662 -11.501 1.00 44.43 C ATOM 1447 OD1 ASN A 101 4.862 -1.587 -12.563 1.00 72.32 O ATOM 1448 ND2 ASN A 101 3.525 -2.738 -11.263 1.00 55.25 N ATOM 0 H ASN A 101 5.083 -1.993 -8.055 1.00 14.22 H new ATOM 0 HA ASN A 101 6.452 -0.572 -10.243 1.00 13.44 H new ATOM 0 HB2 ASN A 101 3.457 -0.648 -9.785 1.00 74.15 H new ATOM 0 HB3 ASN A 101 4.294 0.400 -10.912 1.00 74.15 H new ATOM 0 HD21 ASN A 101 3.480 -3.486 -11.955 1.00 55.25 H new ATOM 0 HD22 ASN A 101 3.009 -2.822 -10.387 1.00 55.25 H new ATOM 1454 N GLN A 102 6.459 0.314 -7.459 1.00 43.42 N ATOM 1455 CA GLN A 102 6.252 1.164 -6.291 1.00 43.35 C ATOM 1456 C GLN A 102 6.856 2.552 -6.494 1.00 51.34 C ATOM 1457 O GLN A 102 6.373 3.529 -5.927 1.00 2.32 O ATOM 1458 CB GLN A 102 6.777 0.474 -5.016 1.00 61.41 C ATOM 1459 CG GLN A 102 8.196 -0.123 -5.086 1.00 60.35 C ATOM 1460 CD GLN A 102 8.564 -0.766 -3.751 1.00 3.02 C ATOM 1461 OE1 GLN A 102 8.844 -0.074 -2.776 1.00 73.22 O ATOM 1462 NE2 GLN A 102 8.519 -2.083 -3.628 1.00 14.21 N ATOM 0 H GLN A 102 7.165 -0.412 -7.338 1.00 43.42 H new ATOM 0 HA GLN A 102 5.180 1.312 -6.161 1.00 43.35 H new ATOM 0 HB2 GLN A 102 6.753 1.199 -4.202 1.00 61.41 H new ATOM 0 HB3 GLN A 102 6.084 -0.325 -4.752 1.00 61.41 H new ATOM 0 HG2 GLN A 102 8.247 -0.866 -5.882 1.00 60.35 H new ATOM 0 HG3 GLN A 102 8.915 0.658 -5.332 1.00 60.35 H new ATOM 0 HE21 GLN A 102 8.287 -2.663 -4.434 1.00 14.21 H new ATOM 0 HE22 GLN A 102 8.716 -2.518 -2.727 1.00 14.21 H new ATOM 1469 N VAL A 103 7.895 2.639 -7.316 1.00 75.25 N ATOM 1470 CA VAL A 103 8.622 3.855 -7.634 1.00 64.41 C ATOM 1471 C VAL A 103 7.757 4.758 -8.507 1.00 74.42 C ATOM 1472 O VAL A 103 7.738 5.969 -8.266 1.00 62.22 O ATOM 1473 CB VAL A 103 9.917 3.427 -8.354 1.00 34.41 C ATOM 1474 CG1 VAL A 103 10.842 4.589 -8.691 1.00 51.21 C ATOM 1475 CG2 VAL A 103 10.722 2.453 -7.491 1.00 43.21 C ATOM 0 H VAL A 103 8.269 1.823 -7.800 1.00 75.25 H new ATOM 0 HA VAL A 103 8.871 4.425 -6.739 1.00 64.41 H new ATOM 0 HB VAL A 103 9.580 2.964 -9.282 1.00 34.41 H new ATOM 0 HG11 VAL A 103 11.731 4.212 -9.196 1.00 51.21 H new ATOM 0 HG12 VAL A 103 10.323 5.289 -9.346 1.00 51.21 H new ATOM 0 HG13 VAL A 103 11.135 5.099 -7.773 1.00 51.21 H new ATOM 0 HG21 VAL A 103 11.631 2.165 -8.019 1.00 43.21 H new ATOM 0 HG22 VAL A 103 10.986 2.934 -6.549 1.00 43.21 H new ATOM 0 HG23 VAL A 103 10.123 1.565 -7.289 1.00 43.21 H new ATOM 1485 N ASP A 104 7.066 4.188 -9.505 1.00 40.42 N ATOM 1486 CA ASP A 104 6.299 4.962 -10.477 1.00 2.02 C ATOM 1487 C ASP A 104 5.004 5.457 -9.840 1.00 54.04 C ATOM 1488 O ASP A 104 4.646 6.636 -9.932 1.00 60.42 O ATOM 1489 CB ASP A 104 5.947 4.105 -11.699 1.00 22.53 C ATOM 1490 CG ASP A 104 5.335 4.932 -12.831 1.00 15.01 C ATOM 1491 OD1 ASP A 104 4.123 5.233 -12.816 1.00 72.53 O ATOM 1492 OD2 ASP A 104 6.099 5.255 -13.774 1.00 32.20 O ATOM 0 H ASP A 104 7.027 3.180 -9.656 1.00 40.42 H new ATOM 0 HA ASP A 104 6.910 5.807 -10.793 1.00 2.02 H new ATOM 0 HB2 ASP A 104 6.846 3.606 -12.061 1.00 22.53 H new ATOM 0 HB3 ASP A 104 5.247 3.324 -11.403 1.00 22.53 H new ATOM 1496 N LEU A 105 4.346 4.534 -9.131 1.00 43.24 N ATOM 1497 CA LEU A 105 3.157 4.743 -8.327 1.00 34.14 C ATOM 1498 C LEU A 105 3.401 5.866 -7.321 1.00 15.21 C ATOM 1499 O LEU A 105 2.533 6.717 -7.146 1.00 63.44 O ATOM 1500 CB LEU A 105 2.842 3.440 -7.578 1.00 35.42 C ATOM 1501 CG LEU A 105 2.111 2.311 -8.334 1.00 42.23 C ATOM 1502 CD1 LEU A 105 0.592 2.533 -8.275 1.00 52.13 C ATOM 1503 CD2 LEU A 105 2.336 2.058 -9.807 1.00 55.13 C ATOM 0 H LEU A 105 4.656 3.563 -9.108 1.00 43.24 H new ATOM 0 HA LEU A 105 2.320 5.021 -8.967 1.00 34.14 H new ATOM 0 HB2 LEU A 105 3.784 3.035 -7.208 1.00 35.42 H new ATOM 0 HB3 LEU A 105 2.241 3.697 -6.705 1.00 35.42 H new ATOM 0 HG LEU A 105 2.548 1.466 -7.802 1.00 42.23 H new ATOM 0 HD11 LEU A 105 0.086 1.731 -8.812 1.00 52.13 H new ATOM 0 HD12 LEU A 105 0.265 2.537 -7.235 1.00 52.13 H new ATOM 0 HD13 LEU A 105 0.346 3.489 -8.736 1.00 52.13 H new ATOM 0 HD21 LEU A 105 1.721 1.218 -10.130 1.00 55.13 H new ATOM 0 HD22 LEU A 105 2.063 2.947 -10.375 1.00 55.13 H new ATOM 0 HD23 LEU A 105 3.387 1.826 -9.980 1.00 55.13 H new ATOM 1514 N TRP A 106 4.556 5.872 -6.650 1.00 20.54 N ATOM 1515 CA TRP A 106 4.944 6.948 -5.756 1.00 3.43 C ATOM 1516 C TRP A 106 5.082 8.241 -6.544 1.00 61.25 C ATOM 1517 O TRP A 106 4.397 9.206 -6.210 1.00 33.43 O ATOM 1518 CB TRP A 106 6.241 6.580 -5.020 1.00 14.23 C ATOM 1519 CG TRP A 106 6.750 7.564 -4.010 1.00 20.40 C ATOM 1520 CD1 TRP A 106 7.920 8.233 -4.078 1.00 41.42 C ATOM 1521 CD2 TRP A 106 6.110 8.027 -2.787 1.00 73.11 C ATOM 1522 NE1 TRP A 106 8.118 8.946 -2.910 1.00 52.31 N ATOM 1523 CE2 TRP A 106 6.995 8.913 -2.108 1.00 40.04 C ATOM 1524 CE3 TRP A 106 4.841 7.831 -2.216 1.00 53.43 C ATOM 1525 CZ2 TRP A 106 6.631 9.567 -0.920 1.00 43.12 C ATOM 1526 CZ3 TRP A 106 4.463 8.490 -1.034 1.00 30.42 C ATOM 1527 CH2 TRP A 106 5.352 9.347 -0.376 1.00 63.44 C ATOM 0 H TRP A 106 5.246 5.124 -6.717 1.00 20.54 H new ATOM 0 HA TRP A 106 4.173 7.098 -5.000 1.00 3.43 H new ATOM 0 HB2 TRP A 106 6.086 5.626 -4.516 1.00 14.23 H new ATOM 0 HB3 TRP A 106 7.021 6.424 -5.765 1.00 14.23 H new ATOM 0 HD1 TRP A 106 8.599 8.214 -4.918 1.00 41.42 H new ATOM 0 HE1 TRP A 106 8.982 9.433 -2.672 1.00 52.31 H new ATOM 0 HE3 TRP A 106 4.143 7.161 -2.695 1.00 53.43 H new ATOM 0 HZ2 TRP A 106 7.326 10.232 -0.429 1.00 43.12 H new ATOM 0 HZ3 TRP A 106 3.474 8.333 -0.628 1.00 30.42 H new ATOM 0 HH2 TRP A 106 5.059 9.835 0.542 1.00 63.44 H new ATOM 1537 N GLU A 107 5.919 8.266 -7.588 1.00 3.43 N ATOM 1538 CA GLU A 107 6.188 9.445 -8.424 1.00 21.33 C ATOM 1539 C GLU A 107 4.903 10.118 -8.897 1.00 41.21 C ATOM 1540 O GLU A 107 4.859 11.340 -9.065 1.00 0.43 O ATOM 1541 CB GLU A 107 7.003 9.051 -9.670 1.00 2.20 C ATOM 1542 CG GLU A 107 8.426 9.620 -9.662 1.00 12.22 C ATOM 1543 CD GLU A 107 8.491 11.153 -9.655 1.00 12.23 C ATOM 1544 OE1 GLU A 107 8.369 11.784 -10.729 1.00 2.21 O ATOM 1545 OE2 GLU A 107 8.753 11.736 -8.582 1.00 15.20 O ATOM 0 H GLU A 107 6.444 7.443 -7.884 1.00 3.43 H new ATOM 0 HA GLU A 107 6.749 10.142 -7.802 1.00 21.33 H new ATOM 0 HB2 GLU A 107 7.053 7.964 -9.735 1.00 2.20 H new ATOM 0 HB3 GLU A 107 6.483 9.400 -10.562 1.00 2.20 H new ATOM 0 HG2 GLU A 107 8.952 9.241 -8.785 1.00 12.22 H new ATOM 0 HG3 GLU A 107 8.958 9.249 -10.538 1.00 12.22 H new ATOM 1550 N ASN A 108 3.858 9.322 -9.124 1.00 44.11 N ATOM 1551 CA ASN A 108 2.548 9.793 -9.525 1.00 63.24 C ATOM 1552 C ASN A 108 2.045 10.865 -8.563 1.00 55.12 C ATOM 1553 O ASN A 108 1.537 11.895 -9.000 1.00 55.43 O ATOM 1554 CB ASN A 108 1.590 8.602 -9.575 1.00 64.21 C ATOM 1555 CG ASN A 108 0.438 8.873 -10.517 1.00 32.10 C ATOM 1556 OD1 ASN A 108 -0.490 9.607 -10.201 1.00 31.44 O ATOM 1557 ND2 ASN A 108 0.499 8.322 -11.714 1.00 53.12 N ATOM 0 H ASN A 108 3.909 8.308 -9.030 1.00 44.11 H new ATOM 0 HA ASN A 108 2.607 10.247 -10.514 1.00 63.24 H new ATOM 0 HB2 ASN A 108 2.128 7.711 -9.899 1.00 64.21 H new ATOM 0 HB3 ASN A 108 1.207 8.397 -8.575 1.00 64.21 H new ATOM 0 HD21 ASN A 108 -0.236 8.504 -12.397 1.00 53.12 H new ATOM 0 HD22 ASN A 108 1.281 7.714 -11.956 1.00 53.12 H new ATOM 1563 N TYR A 109 2.236 10.657 -7.258 1.00 15.04 N ATOM 1564 CA TYR A 109 1.755 11.549 -6.231 1.00 53.35 C ATOM 1565 C TYR A 109 2.635 12.768 -6.203 1.00 64.24 C ATOM 1566 O TYR A 109 2.096 13.860 -6.122 1.00 2.44 O ATOM 1567 CB TYR A 109 1.738 10.833 -4.884 1.00 13.31 C ATOM 1568 CG TYR A 109 0.600 9.853 -4.830 1.00 1.14 C ATOM 1569 CD1 TYR A 109 -0.716 10.299 -4.606 1.00 1.31 C ATOM 1570 CD2 TYR A 109 0.867 8.491 -5.007 1.00 45.04 C ATOM 1571 CE1 TYR A 109 -1.761 9.366 -4.516 1.00 13.21 C ATOM 1572 CE2 TYR A 109 -0.159 7.558 -4.844 1.00 33.42 C ATOM 1573 CZ TYR A 109 -1.491 7.988 -4.637 1.00 54.24 C ATOM 1574 OH TYR A 109 -2.517 7.103 -4.525 1.00 10.03 O ATOM 0 H TYR A 109 2.738 9.848 -6.892 1.00 15.04 H new ATOM 0 HA TYR A 109 0.733 11.861 -6.445 1.00 53.35 H new ATOM 0 HB2 TYR A 109 2.683 10.313 -4.729 1.00 13.31 H new ATOM 0 HB3 TYR A 109 1.639 11.561 -4.079 1.00 13.31 H new ATOM 0 HD1 TYR A 109 -0.921 11.354 -4.504 1.00 1.31 H new ATOM 0 HD2 TYR A 109 1.862 8.163 -5.269 1.00 45.04 H new ATOM 0 HE1 TYR A 109 -2.774 9.705 -4.354 1.00 13.21 H new ATOM 0 HE2 TYR A 109 0.065 6.502 -4.876 1.00 33.42 H new ATOM 0 HH TYR A 109 -2.322 6.307 -5.062 1.00 10.03 H new ATOM 1583 N LEU A 110 3.960 12.626 -6.307 1.00 60.21 N ATOM 1584 CA LEU A 110 4.861 13.758 -6.294 1.00 65.11 C ATOM 1585 C LEU A 110 4.475 14.752 -7.397 1.00 21.14 C ATOM 1586 O LEU A 110 4.415 15.953 -7.129 1.00 43.21 O ATOM 1587 CB LEU A 110 6.295 13.232 -6.418 1.00 35.22 C ATOM 1588 CG LEU A 110 6.757 12.468 -5.158 1.00 12.24 C ATOM 1589 CD1 LEU A 110 6.157 11.112 -4.829 1.00 33.52 C ATOM 1590 CD2 LEU A 110 8.255 12.245 -5.229 1.00 13.11 C ATOM 0 H LEU A 110 4.426 11.724 -6.402 1.00 60.21 H new ATOM 0 HA LEU A 110 4.790 14.311 -5.357 1.00 65.11 H new ATOM 0 HB2 LEU A 110 6.363 12.573 -7.284 1.00 35.22 H new ATOM 0 HB3 LEU A 110 6.970 14.068 -6.600 1.00 35.22 H new ATOM 0 HG LEU A 110 6.399 13.132 -4.371 1.00 12.24 H new ATOM 0 HD11 LEU A 110 6.603 10.730 -3.911 1.00 33.52 H new ATOM 0 HD12 LEU A 110 5.080 11.214 -4.695 1.00 33.52 H new ATOM 0 HD13 LEU A 110 6.357 10.418 -5.645 1.00 33.52 H new ATOM 0 HD21 LEU A 110 8.585 11.706 -4.341 1.00 13.11 H new ATOM 0 HD22 LEU A 110 8.494 11.661 -6.118 1.00 13.11 H new ATOM 0 HD23 LEU A 110 8.764 13.207 -5.279 1.00 13.11 H new ATOM 1601 N ALA A 111 4.127 14.252 -8.589 1.00 3.20 N ATOM 1602 CA ALA A 111 3.557 15.045 -9.674 1.00 24.50 C ATOM 1603 C ALA A 111 2.216 15.677 -9.269 1.00 75.34 C ATOM 1604 O ALA A 111 2.123 16.907 -9.187 1.00 30.20 O ATOM 1605 CB ALA A 111 3.436 14.180 -10.935 1.00 73.42 C ATOM 0 H ALA A 111 4.238 13.266 -8.826 1.00 3.20 H new ATOM 0 HA ALA A 111 4.227 15.876 -9.895 1.00 24.50 H new ATOM 0 HB1 ALA A 111 3.010 14.774 -11.744 1.00 73.42 H new ATOM 0 HB2 ALA A 111 4.424 13.823 -11.228 1.00 73.42 H new ATOM 0 HB3 ALA A 111 2.788 13.328 -10.731 1.00 73.42 H new ATOM 1611 N ARG A 112 1.172 14.872 -9.007 1.00 70.41 N ATOM 1612 CA ARG A 112 -0.183 15.380 -8.760 1.00 4.11 C ATOM 1613 C ARG A 112 -0.184 16.390 -7.616 1.00 33.12 C ATOM 1614 O ARG A 112 -0.803 17.445 -7.744 1.00 21.44 O ATOM 1615 CB ARG A 112 -1.176 14.242 -8.452 1.00 30.12 C ATOM 1616 CG ARG A 112 -1.237 13.112 -9.495 1.00 72.41 C ATOM 1617 CD ARG A 112 -2.650 12.747 -9.970 1.00 51.35 C ATOM 1618 NE ARG A 112 -3.294 13.822 -10.748 1.00 23.40 N ATOM 1619 CZ ARG A 112 -2.927 14.310 -11.939 1.00 62.11 C ATOM 1620 NH1 ARG A 112 -1.867 13.815 -12.559 1.00 63.12 N ATOM 1621 NH2 ARG A 112 -3.611 15.292 -12.511 1.00 54.34 N ATOM 0 H ARG A 112 1.246 13.856 -8.961 1.00 70.41 H new ATOM 0 HA ARG A 112 -0.509 15.875 -9.675 1.00 4.11 H new ATOM 0 HB2 ARG A 112 -0.915 13.808 -7.487 1.00 30.12 H new ATOM 0 HB3 ARG A 112 -2.173 14.671 -8.349 1.00 30.12 H new ATOM 0 HG2 ARG A 112 -0.642 13.404 -10.361 1.00 72.41 H new ATOM 0 HG3 ARG A 112 -0.770 12.222 -9.073 1.00 72.41 H new ATOM 0 HD2 ARG A 112 -2.600 11.845 -10.580 1.00 51.35 H new ATOM 0 HD3 ARG A 112 -3.269 12.513 -9.104 1.00 51.35 H new ATOM 0 HE ARG A 112 -4.121 14.246 -10.327 1.00 23.40 H new ATOM 0 HH11 ARG A 112 -1.330 13.062 -12.129 1.00 63.12 H new ATOM 0 HH12 ARG A 112 -1.587 14.187 -13.467 1.00 63.12 H new ATOM 0 HH21 ARG A 112 -4.428 15.685 -12.043 1.00 54.34 H new ATOM 0 HH22 ARG A 112 -3.320 15.655 -13.419 1.00 54.34 H new ATOM 1632 N LEU A 113 0.527 16.089 -6.526 1.00 1.12 N ATOM 1633 CA LEU A 113 0.694 16.889 -5.320 1.00 71.15 C ATOM 1634 C LEU A 113 1.192 18.268 -5.692 1.00 11.10 C ATOM 1635 O LEU A 113 0.562 19.264 -5.333 1.00 24.44 O ATOM 1636 CB LEU A 113 1.652 16.164 -4.350 1.00 42.11 C ATOM 1637 CG LEU A 113 2.046 16.852 -3.031 1.00 70.12 C ATOM 1638 CD1 LEU A 113 3.144 17.905 -3.172 1.00 22.44 C ATOM 1639 CD2 LEU A 113 0.867 17.479 -2.312 1.00 4.33 C ATOM 0 H LEU A 113 1.039 15.209 -6.464 1.00 1.12 H new ATOM 0 HA LEU A 113 -0.262 17.011 -4.810 1.00 71.15 H new ATOM 0 HB2 LEU A 113 1.200 15.205 -4.098 1.00 42.11 H new ATOM 0 HB3 LEU A 113 2.571 15.949 -4.895 1.00 42.11 H new ATOM 0 HG LEU A 113 2.441 16.029 -2.435 1.00 70.12 H new ATOM 0 HD11 LEU A 113 3.359 18.339 -2.196 1.00 22.44 H new ATOM 0 HD12 LEU A 113 4.046 17.439 -3.569 1.00 22.44 H new ATOM 0 HD13 LEU A 113 2.811 18.689 -3.852 1.00 22.44 H new ATOM 0 HD21 LEU A 113 1.211 17.948 -1.390 1.00 4.33 H new ATOM 0 HD22 LEU A 113 0.409 18.232 -2.953 1.00 4.33 H new ATOM 0 HD23 LEU A 113 0.133 16.708 -2.076 1.00 4.33 H new ATOM 1650 N ARG A 114 2.326 18.336 -6.391 1.00 1.10 N ATOM 1651 CA ARG A 114 2.948 19.611 -6.710 1.00 53.34 C ATOM 1652 C ARG A 114 2.048 20.415 -7.637 1.00 53.22 C ATOM 1653 O ARG A 114 1.866 21.616 -7.429 1.00 70.24 O ATOM 1654 CB ARG A 114 4.321 19.372 -7.344 1.00 65.42 C ATOM 1655 CG ARG A 114 5.350 18.935 -6.289 1.00 13.23 C ATOM 1656 CD ARG A 114 6.594 18.299 -6.913 1.00 5.33 C ATOM 1657 NE ARG A 114 7.828 19.003 -6.530 1.00 5.42 N ATOM 1658 CZ ARG A 114 8.805 18.561 -5.729 1.00 53.33 C ATOM 1659 NH1 ARG A 114 8.675 17.430 -5.046 1.00 65.42 N ATOM 1660 NH2 ARG A 114 9.943 19.233 -5.624 1.00 65.43 N ATOM 0 H ARG A 114 2.828 17.521 -6.744 1.00 1.10 H new ATOM 0 HA ARG A 114 3.087 20.186 -5.794 1.00 53.34 H new ATOM 0 HB2 ARG A 114 4.240 18.607 -8.116 1.00 65.42 H new ATOM 0 HB3 ARG A 114 4.663 20.284 -7.834 1.00 65.42 H new ATOM 0 HG2 ARG A 114 5.647 19.800 -5.695 1.00 13.23 H new ATOM 0 HG3 ARG A 114 4.886 18.224 -5.606 1.00 13.23 H new ATOM 0 HD2 ARG A 114 6.661 17.256 -6.603 1.00 5.33 H new ATOM 0 HD3 ARG A 114 6.497 18.303 -7.999 1.00 5.33 H new ATOM 0 HE ARG A 114 7.954 19.937 -6.921 1.00 5.42 H new ATOM 0 HH11 ARG A 114 7.819 16.881 -5.127 1.00 65.42 H new ATOM 0 HH12 ARG A 114 9.431 17.110 -4.441 1.00 65.42 H new ATOM 0 HH21 ARG A 114 10.078 20.093 -6.156 1.00 65.43 H new ATOM 0 HH22 ARG A 114 10.683 18.890 -5.012 1.00 65.43 H new ATOM 1671 N ALA A 115 1.443 19.754 -8.625 1.00 50.13 N ATOM 1672 CA ALA A 115 0.581 20.396 -9.594 1.00 3.32 C ATOM 1673 C ALA A 115 -0.710 20.898 -8.947 1.00 32.50 C ATOM 1674 O ALA A 115 -1.310 21.830 -9.478 1.00 50.15 O ATOM 1675 CB ALA A 115 0.299 19.433 -10.749 1.00 30.43 C ATOM 0 H ALA A 115 1.544 18.749 -8.768 1.00 50.13 H new ATOM 0 HA ALA A 115 1.091 21.273 -9.992 1.00 3.32 H new ATOM 0 HB1 ALA A 115 -0.350 19.919 -11.477 1.00 30.43 H new ATOM 0 HB2 ALA A 115 1.238 19.155 -11.228 1.00 30.43 H new ATOM 0 HB3 ALA A 115 -0.192 18.538 -10.365 1.00 30.43 H new ATOM 1681 N ALA A 116 -1.089 20.340 -7.792 1.00 45.44 N ATOM 1682 CA ALA A 116 -2.346 20.592 -7.100 1.00 11.12 C ATOM 1683 C ALA A 116 -2.149 21.358 -5.789 1.00 10.23 C ATOM 1684 O ALA A 116 -3.105 21.557 -5.046 1.00 45.02 O ATOM 1685 CB ALA A 116 -3.062 19.271 -6.809 1.00 10.41 C ATOM 0 H ALA A 116 -0.498 19.672 -7.297 1.00 45.44 H new ATOM 0 HA ALA A 116 -2.952 21.212 -7.761 1.00 11.12 H new ATOM 0 HB1 ALA A 116 -4.000 19.472 -6.292 1.00 10.41 H new ATOM 0 HB2 ALA A 116 -3.268 18.755 -7.747 1.00 10.41 H new ATOM 0 HB3 ALA A 116 -2.428 18.644 -6.181 1.00 10.41 H new ATOM 1691 N LYS A 117 -0.915 21.782 -5.487 1.00 34.50 N ATOM 1692 CA LYS A 117 -0.551 22.560 -4.304 1.00 22.32 C ATOM 1693 C LYS A 117 -1.033 21.936 -2.981 1.00 32.22 C ATOM 1694 O LYS A 117 -1.279 22.664 -2.015 1.00 63.44 O ATOM 1695 CB LYS A 117 -1.051 24.007 -4.477 1.00 61.32 C ATOM 1696 CG LYS A 117 -0.561 24.691 -5.766 1.00 14.41 C ATOM 1697 CD LYS A 117 -1.428 24.405 -7.007 1.00 72.24 C ATOM 1698 CE LYS A 117 -1.250 25.467 -8.087 1.00 44.13 C ATOM 1699 NZ LYS A 117 0.121 25.513 -8.629 1.00 4.12 N ATOM 0 H LYS A 117 -0.114 21.583 -6.086 1.00 34.50 H new ATOM 0 HA LYS A 117 0.536 22.558 -4.227 1.00 22.32 H new ATOM 0 HB2 LYS A 117 -2.141 24.007 -4.470 1.00 61.32 H new ATOM 0 HB3 LYS A 117 -0.727 24.597 -3.620 1.00 61.32 H new ATOM 0 HG2 LYS A 117 -0.528 25.768 -5.601 1.00 14.41 H new ATOM 0 HG3 LYS A 117 0.460 24.368 -5.969 1.00 14.41 H new ATOM 0 HD2 LYS A 117 -1.168 23.428 -7.413 1.00 72.24 H new ATOM 0 HD3 LYS A 117 -2.477 24.359 -6.713 1.00 72.24 H new ATOM 0 HE2 LYS A 117 -1.950 25.272 -8.900 1.00 44.13 H new ATOM 0 HE3 LYS A 117 -1.505 26.443 -7.674 1.00 44.13 H new ATOM 0 HZ1 LYS A 117 0.182 26.252 -9.358 1.00 4.12 H new ATOM 0 HZ2 LYS A 117 0.790 25.727 -7.862 1.00 4.12 H new ATOM 0 HZ3 LYS A 117 0.359 24.592 -9.049 1.00 4.12 H new ATOM 1709 N ALA A 118 -1.180 20.611 -2.926 1.00 30.20 N ATOM 1710 CA ALA A 118 -1.827 19.930 -1.812 1.00 41.12 C ATOM 1711 C ALA A 118 -0.881 19.791 -0.600 1.00 45.04 C ATOM 1712 O ALA A 118 0.211 20.367 -0.568 1.00 70.51 O ATOM 1713 CB ALA A 118 -2.406 18.605 -2.331 1.00 22.13 C ATOM 0 H ALA A 118 -0.851 19.981 -3.658 1.00 30.20 H new ATOM 0 HA ALA A 118 -2.656 20.522 -1.425 1.00 41.12 H new ATOM 0 HB1 ALA A 118 -2.896 18.077 -1.513 1.00 22.13 H new ATOM 0 HB2 ALA A 118 -3.132 18.809 -3.118 1.00 22.13 H new ATOM 0 HB3 ALA A 118 -1.601 17.988 -2.731 1.00 22.13 H new ATOM 1719 N SER A 119 -1.316 19.079 0.443 1.00 13.40 N ATOM 1720 CA SER A 119 -0.560 18.914 1.689 1.00 70.42 C ATOM 1721 C SER A 119 0.698 18.061 1.469 1.00 1.44 C ATOM 1722 O SER A 119 0.637 16.972 0.901 1.00 12.42 O ATOM 1723 CB SER A 119 -1.448 18.337 2.800 1.00 5.22 C ATOM 1724 OG SER A 119 -2.748 18.910 2.775 1.00 2.02 O ATOM 0 H SER A 119 -2.214 18.595 0.447 1.00 13.40 H new ATOM 0 HA SER A 119 -0.229 19.901 2.013 1.00 70.42 H new ATOM 0 HB2 SER A 119 -1.523 17.256 2.683 1.00 5.22 H new ATOM 0 HB3 SER A 119 -0.986 18.522 3.770 1.00 5.22 H new ATOM 0 HG SER A 119 -3.291 18.522 3.493 1.00 2.02 H new ATOM 1729 N ARG A 120 1.859 18.537 1.909 1.00 45.03 N ATOM 1730 CA ARG A 120 3.153 17.918 1.655 1.00 42.01 C ATOM 1731 C ARG A 120 3.687 17.481 3.014 1.00 11.42 C ATOM 1732 O ARG A 120 4.616 18.078 3.548 1.00 71.34 O ATOM 1733 CB ARG A 120 4.104 18.867 0.876 1.00 5.30 C ATOM 1734 CG ARG A 120 3.437 19.957 0.016 1.00 31.40 C ATOM 1735 CD ARG A 120 4.486 20.690 -0.834 1.00 13.20 C ATOM 1736 NE ARG A 120 4.133 22.105 -1.035 1.00 10.20 N ATOM 1737 CZ ARG A 120 4.836 23.170 -0.629 1.00 12.41 C ATOM 1738 NH1 ARG A 120 6.062 23.050 -0.125 1.00 1.03 N ATOM 1739 NH2 ARG A 120 4.291 24.368 -0.749 1.00 2.31 N ATOM 0 H ARG A 120 1.926 19.388 2.468 1.00 45.03 H new ATOM 0 HA ARG A 120 3.067 17.050 1.001 1.00 42.01 H new ATOM 0 HB2 ARG A 120 4.762 19.355 1.595 1.00 5.30 H new ATOM 0 HB3 ARG A 120 4.735 18.260 0.227 1.00 5.30 H new ATOM 0 HG2 ARG A 120 2.685 19.507 -0.632 1.00 31.40 H new ATOM 0 HG3 ARG A 120 2.919 20.669 0.659 1.00 31.40 H new ATOM 0 HD2 ARG A 120 5.459 20.623 -0.348 1.00 13.20 H new ATOM 0 HD3 ARG A 120 4.579 20.197 -1.802 1.00 13.20 H new ATOM 0 HE ARG A 120 3.264 22.294 -1.535 1.00 10.20 H new ATOM 0 HH11 ARG A 120 6.490 22.128 -0.040 1.00 1.03 H new ATOM 0 HH12 ARG A 120 6.573 23.880 0.176 1.00 1.03 H new ATOM 0 HH21 ARG A 120 3.355 24.465 -1.144 1.00 2.31 H new ATOM 0 HH22 ARG A 120 4.806 25.195 -0.447 1.00 2.31 H new ATOM 1750 N GLU A 121 3.035 16.492 3.607 1.00 54.41 N ATOM 1751 CA GLU A 121 3.386 15.934 4.913 1.00 50.01 C ATOM 1752 C GLU A 121 4.851 15.477 4.979 1.00 3.10 C ATOM 1753 O GLU A 121 5.441 15.173 3.940 1.00 31.50 O ATOM 1754 CB GLU A 121 2.456 14.763 5.187 1.00 42.01 C ATOM 1755 CG GLU A 121 0.992 15.194 5.399 1.00 34.13 C ATOM 1756 CD GLU A 121 0.819 16.556 6.102 1.00 51.22 C ATOM 1757 OE1 GLU A 121 0.820 17.611 5.417 1.00 33.33 O ATOM 1758 OE2 GLU A 121 0.818 16.607 7.350 1.00 61.43 O ATOM 0 H GLU A 121 2.224 16.040 3.185 1.00 54.41 H new ATOM 0 HA GLU A 121 3.271 16.710 5.670 1.00 50.01 H new ATOM 0 HB2 GLU A 121 2.506 14.064 4.353 1.00 42.01 H new ATOM 0 HB3 GLU A 121 2.804 14.229 6.072 1.00 42.01 H new ATOM 0 HG2 GLU A 121 0.495 15.234 4.430 1.00 34.13 H new ATOM 0 HG3 GLU A 121 0.483 14.430 5.986 1.00 34.13 H new ATOM 1763 N PRO A 122 5.450 15.360 6.179 1.00 74.55 N ATOM 1764 CA PRO A 122 6.866 15.073 6.314 1.00 52.45 C ATOM 1765 C PRO A 122 7.205 13.634 5.970 1.00 33.21 C ATOM 1766 O PRO A 122 6.827 12.705 6.682 1.00 50.23 O ATOM 1767 CB PRO A 122 7.218 15.374 7.771 1.00 32.43 C ATOM 1768 CG PRO A 122 5.891 15.235 8.512 1.00 41.23 C ATOM 1769 CD PRO A 122 4.855 15.638 7.470 1.00 25.53 C ATOM 0 HA PRO A 122 7.441 15.682 5.617 1.00 52.45 H new ATOM 0 HB2 PRO A 122 7.963 14.676 8.153 1.00 32.43 H new ATOM 0 HB3 PRO A 122 7.633 16.376 7.882 1.00 32.43 H new ATOM 0 HG2 PRO A 122 5.732 14.215 8.862 1.00 41.23 H new ATOM 0 HG3 PRO A 122 5.851 15.882 9.388 1.00 41.23 H new ATOM 0 HD2 PRO A 122 3.931 15.075 7.602 1.00 25.53 H new ATOM 0 HD3 PRO A 122 4.601 16.694 7.562 1.00 25.53 H new