USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 686 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 62 THR OG1 : rot 180:sc= 0.00266 USER MOD Set 1.2: A 63 ASN : amide:sc= -1.46! C(o=-1.5!,f=-1.9!) USER MOD Set 2.1: A 26 SER OG : rot -139:sc= 1.19 USER MOD Set 2.2: A 34 GLN : amide:sc= 0.307 K(o=1.5,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0741 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.39 K(o=-1.4,f=0) USER MOD Single : A 11 CYS SG : rot 24:sc= 0.296 USER MOD Single : A 15 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.07) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.2 K(o=-2.2,f=-0.97) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -162:sc= -0.0753 (180deg=-0.363) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.3 (180deg=0.805) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.67 K(o=-0.67,f=0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -71:sc= 0.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -8.8! C(o=-8.8!,f=-9.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= -0.0151 (180deg=-0.53) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.0383 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -52:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.993 -17.154 0.754 1.00 0.00 N ATOM 2 CA GLY A 1 -12.696 -15.848 1.313 1.00 0.00 C ATOM 3 C GLY A 1 -13.880 -14.904 1.243 1.00 0.00 C ATOM 4 O GLY A 1 -14.916 -15.239 0.669 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.867 -17.882 1.486 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.976 -17.171 0.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.349 -17.346 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.388 -15.963 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.854 -15.410 0.777 1.00 0.00 H new ATOM 8 N SER A 2 -13.727 -13.721 1.831 1.00 0.00 N ATOM 9 CA SER A 2 -14.794 -12.728 1.838 1.00 0.00 C ATOM 10 C SER A 2 -14.577 -11.689 0.742 1.00 0.00 C ATOM 11 O SER A 2 -13.675 -10.856 0.832 1.00 0.00 O ATOM 12 CB SER A 2 -14.870 -12.039 3.202 1.00 0.00 C ATOM 13 OG SER A 2 -15.663 -12.787 4.107 1.00 0.00 O ATOM 0 H SER A 2 -12.875 -13.428 2.308 1.00 0.00 H new ATOM 0 HA SER A 2 -15.736 -13.242 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.866 -11.917 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.290 -11.040 3.085 1.00 0.00 H new ATOM 0 HG SER A 2 -15.695 -12.327 4.972 1.00 0.00 H new ATOM 19 N SER A 3 -15.409 -11.746 -0.293 1.00 0.00 N ATOM 20 CA SER A 3 -15.307 -10.812 -1.409 1.00 0.00 C ATOM 21 C SER A 3 -16.611 -10.043 -1.595 1.00 0.00 C ATOM 22 O SER A 3 -17.617 -10.601 -2.031 1.00 0.00 O ATOM 23 CB SER A 3 -14.954 -11.561 -2.695 1.00 0.00 C ATOM 24 OG SER A 3 -13.600 -11.981 -2.686 1.00 0.00 O ATOM 0 H SER A 3 -16.161 -12.429 -0.382 1.00 0.00 H new ATOM 0 HA SER A 3 -14.515 -10.098 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.606 -12.428 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.132 -10.916 -3.556 1.00 0.00 H new ATOM 0 HG SER A 3 -13.400 -12.459 -3.518 1.00 0.00 H new ATOM 30 N GLY A 4 -16.585 -8.756 -1.262 1.00 0.00 N ATOM 31 CA GLY A 4 -17.770 -7.930 -1.399 1.00 0.00 C ATOM 32 C GLY A 4 -17.468 -6.453 -1.244 1.00 0.00 C ATOM 33 O GLY A 4 -18.168 -5.742 -0.523 1.00 0.00 O ATOM 0 H GLY A 4 -15.764 -8.271 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.220 -8.105 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.505 -8.228 -0.651 1.00 0.00 H new ATOM 37 N SER A 5 -16.423 -5.990 -1.922 1.00 0.00 N ATOM 38 CA SER A 5 -16.026 -4.588 -1.851 1.00 0.00 C ATOM 39 C SER A 5 -15.765 -4.027 -3.246 1.00 0.00 C ATOM 40 O SER A 5 -14.734 -4.310 -3.857 1.00 0.00 O ATOM 41 CB SER A 5 -14.776 -4.433 -0.984 1.00 0.00 C ATOM 42 OG SER A 5 -14.726 -3.149 -0.387 1.00 0.00 O ATOM 0 H SER A 5 -15.836 -6.565 -2.527 1.00 0.00 H new ATOM 0 HA SER A 5 -16.844 -4.026 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.770 -5.199 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.886 -4.589 -1.593 1.00 0.00 H new ATOM 0 HG SER A 5 -14.259 -3.206 0.473 1.00 0.00 H new ATOM 48 N SER A 6 -16.706 -3.231 -3.743 1.00 0.00 N ATOM 49 CA SER A 6 -16.580 -2.633 -5.066 1.00 0.00 C ATOM 50 C SER A 6 -16.606 -1.110 -4.979 1.00 0.00 C ATOM 51 O SER A 6 -17.344 -0.535 -4.180 1.00 0.00 O ATOM 52 CB SER A 6 -17.706 -3.121 -5.979 1.00 0.00 C ATOM 53 OG SER A 6 -17.468 -4.447 -6.419 1.00 0.00 O ATOM 0 H SER A 6 -17.564 -2.985 -3.249 1.00 0.00 H new ATOM 0 HA SER A 6 -15.622 -2.940 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.656 -3.076 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.793 -2.459 -6.840 1.00 0.00 H new ATOM 0 HG SER A 6 -18.203 -4.736 -7.000 1.00 0.00 H new ATOM 59 N GLY A 7 -15.793 -0.461 -5.808 1.00 0.00 N ATOM 60 CA GLY A 7 -15.737 0.989 -5.809 1.00 0.00 C ATOM 61 C GLY A 7 -14.734 1.530 -6.808 1.00 0.00 C ATOM 62 O GLY A 7 -14.002 0.767 -7.439 1.00 0.00 O ATOM 0 H GLY A 7 -15.172 -0.914 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.725 1.387 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.476 1.340 -4.811 1.00 0.00 H new ATOM 66 N VAL A 8 -14.699 2.851 -6.954 1.00 0.00 N ATOM 67 CA VAL A 8 -13.779 3.493 -7.884 1.00 0.00 C ATOM 68 C VAL A 8 -12.332 3.318 -7.435 1.00 0.00 C ATOM 69 O VAL A 8 -12.058 3.146 -6.248 1.00 0.00 O ATOM 70 CB VAL A 8 -14.082 4.996 -8.026 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.809 5.722 -6.717 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.267 5.600 -9.160 1.00 0.00 C ATOM 0 H VAL A 8 -15.298 3.497 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.918 3.009 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.139 5.114 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.029 6.783 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.441 5.307 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.761 5.597 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.494 6.663 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.205 5.472 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.518 5.099 -10.095 1.00 0.00 H new ATOM 82 N GLN A 9 -11.411 3.363 -8.392 1.00 0.00 N ATOM 83 CA GLN A 9 -9.992 3.209 -8.095 1.00 0.00 C ATOM 84 C GLN A 9 -9.192 4.390 -8.632 1.00 0.00 C ATOM 85 O GLN A 9 -9.434 4.863 -9.743 1.00 0.00 O ATOM 86 CB GLN A 9 -9.463 1.904 -8.693 1.00 0.00 C ATOM 87 CG GLN A 9 -9.804 1.727 -10.164 1.00 0.00 C ATOM 88 CD GLN A 9 -9.902 0.270 -10.569 1.00 0.00 C ATOM 89 OE1 GLN A 9 -10.997 -0.263 -10.750 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.755 -0.384 -10.713 1.00 0.00 N ATOM 0 H GLN A 9 -11.622 3.505 -9.380 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.875 3.178 -7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.380 1.872 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.871 1.064 -8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.751 2.223 -10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.044 2.219 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.870 0.097 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.759 -1.367 -10.984 1.00 0.00 H new ATOM 99 N ARG A 10 -8.238 4.863 -7.837 1.00 0.00 N ATOM 100 CA ARG A 10 -7.403 5.991 -8.232 1.00 0.00 C ATOM 101 C ARG A 10 -5.941 5.570 -8.351 1.00 0.00 C ATOM 102 O ARG A 10 -5.446 4.778 -7.548 1.00 0.00 O ATOM 103 CB ARG A 10 -7.536 7.131 -7.221 1.00 0.00 C ATOM 104 CG ARG A 10 -6.996 8.459 -7.725 1.00 0.00 C ATOM 105 CD ARG A 10 -7.034 9.524 -6.641 1.00 0.00 C ATOM 106 NE ARG A 10 -6.902 10.870 -7.191 1.00 0.00 N ATOM 107 CZ ARG A 10 -6.945 11.974 -6.452 1.00 0.00 C ATOM 108 NH1 ARG A 10 -7.115 11.890 -5.140 1.00 0.00 N ATOM 109 NH2 ARG A 10 -6.817 13.163 -7.026 1.00 0.00 N ATOM 0 H ARG A 10 -8.024 4.482 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.744 6.338 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.587 7.252 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.009 6.858 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.971 8.328 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.583 8.790 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.972 9.448 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.230 9.344 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.770 10.969 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.213 10.977 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.148 12.738 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.685 13.231 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.850 14.010 -6.458 1.00 0.00 H new ATOM 123 N CYS A 11 -5.257 6.104 -9.356 1.00 0.00 N ATOM 124 CA CYS A 11 -3.852 5.782 -9.581 1.00 0.00 C ATOM 125 C CYS A 11 -2.945 6.802 -8.899 1.00 0.00 C ATOM 126 O CYS A 11 -3.138 8.010 -9.037 1.00 0.00 O ATOM 127 CB CYS A 11 -3.551 5.736 -11.080 1.00 0.00 C ATOM 128 SG CYS A 11 -3.708 7.333 -11.913 1.00 0.00 S ATOM 0 H CYS A 11 -5.652 6.762 -10.028 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.656 4.801 -9.148 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.538 5.361 -11.225 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.226 5.023 -11.554 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.557 8.291 -11.047 1.00 0.00 H new ATOM 134 N VAL A 12 -1.957 6.306 -8.161 1.00 0.00 N ATOM 135 CA VAL A 12 -1.020 7.174 -7.457 1.00 0.00 C ATOM 136 C VAL A 12 0.421 6.737 -7.697 1.00 0.00 C ATOM 137 O VAL A 12 0.723 5.544 -7.715 1.00 0.00 O ATOM 138 CB VAL A 12 -1.296 7.184 -5.941 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.041 5.809 -5.343 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.445 8.240 -5.252 1.00 0.00 C ATOM 0 H VAL A 12 -1.785 5.309 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.162 8.180 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.345 7.434 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.241 5.835 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.697 5.079 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.002 5.526 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.653 8.233 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.610 8.022 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.682 9.222 -5.661 1.00 0.00 H new ATOM 150 N ILE A 13 1.305 7.711 -7.881 1.00 0.00 N ATOM 151 CA ILE A 13 2.715 7.427 -8.119 1.00 0.00 C ATOM 152 C ILE A 13 3.595 8.099 -7.071 1.00 0.00 C ATOM 153 O ILE A 13 3.509 9.308 -6.855 1.00 0.00 O ATOM 154 CB ILE A 13 3.155 7.895 -9.519 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.348 7.173 -10.599 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.645 7.655 -9.713 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.691 7.613 -12.005 1.00 0.00 C ATOM 0 H ILE A 13 1.070 8.704 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 13 2.835 6.346 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 13 2.965 8.965 -9.605 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.517 6.100 -10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.286 7.343 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.941 7.991 -10.707 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.204 8.211 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.858 6.591 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.081 7.059 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.495 8.680 -12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.745 7.417 -12.201 1.00 0.00 H new ATOM 169 N ILE A 14 4.443 7.306 -6.423 1.00 0.00 N ATOM 170 CA ILE A 14 5.342 7.825 -5.399 1.00 0.00 C ATOM 171 C ILE A 14 6.786 7.836 -5.889 1.00 0.00 C ATOM 172 O ILE A 14 7.315 6.809 -6.312 1.00 0.00 O ATOM 173 CB ILE A 14 5.258 6.995 -4.104 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.802 6.855 -3.656 1.00 0.00 C ATOM 175 CG2 ILE A 14 6.095 7.638 -3.008 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.578 5.729 -2.671 1.00 0.00 C ATOM 0 H ILE A 14 4.526 6.303 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 14 5.025 8.846 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 14 5.655 5.999 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.478 7.792 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.175 6.690 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.026 7.040 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.135 7.691 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.724 8.644 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.524 5.689 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.871 4.783 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.178 5.902 -1.778 1.00 0.00 H new ATOM 188 N GLN A 15 7.416 9.004 -5.828 1.00 0.00 N ATOM 189 CA GLN A 15 8.800 9.149 -6.266 1.00 0.00 C ATOM 190 C GLN A 15 9.710 9.490 -5.090 1.00 0.00 C ATOM 191 O GLN A 15 9.448 10.432 -4.341 1.00 0.00 O ATOM 192 CB GLN A 15 8.907 10.232 -7.340 1.00 0.00 C ATOM 193 CG GLN A 15 8.607 11.631 -6.825 1.00 0.00 C ATOM 194 CD GLN A 15 8.119 12.562 -7.917 1.00 0.00 C ATOM 195 OE1 GLN A 15 8.646 13.661 -8.094 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.106 12.127 -8.658 1.00 0.00 N ATOM 0 H GLN A 15 6.991 9.864 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 15 9.123 8.197 -6.688 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.912 10.217 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.218 9.997 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.853 11.571 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.506 12.048 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.699 11.209 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.735 12.711 -9.408 1.00 0.00 H new ATOM 205 N LYS A 16 10.779 8.717 -4.932 1.00 0.00 N ATOM 206 CA LYS A 16 11.729 8.937 -3.848 1.00 0.00 C ATOM 207 C LYS A 16 11.872 10.425 -3.543 1.00 0.00 C ATOM 208 O LYS A 16 12.466 11.173 -4.319 1.00 0.00 O ATOM 209 CB LYS A 16 13.094 8.347 -4.211 1.00 0.00 C ATOM 210 CG LYS A 16 13.260 6.896 -3.792 1.00 0.00 C ATOM 211 CD LYS A 16 14.573 6.318 -4.291 1.00 0.00 C ATOM 212 CE LYS A 16 14.436 5.756 -5.698 1.00 0.00 C ATOM 213 NZ LYS A 16 15.466 4.719 -5.984 1.00 0.00 N ATOM 0 H LYS A 16 11.009 7.932 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 16 11.348 8.436 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.239 8.424 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.875 8.944 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.219 6.823 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.430 6.307 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.340 7.092 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.906 5.531 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.443 5.325 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.525 6.565 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.339 4.361 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.414 5.136 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.365 3.934 -5.309 1.00 0.00 H new ATOM 227 N ASP A 17 11.325 10.846 -2.408 1.00 0.00 N ATOM 228 CA ASP A 17 11.394 12.245 -2.000 1.00 0.00 C ATOM 229 C ASP A 17 12.396 12.430 -0.865 1.00 0.00 C ATOM 230 O ASP A 17 13.206 13.356 -0.886 1.00 0.00 O ATOM 231 CB ASP A 17 10.014 12.739 -1.563 1.00 0.00 C ATOM 232 CG ASP A 17 9.826 14.223 -1.809 1.00 0.00 C ATOM 233 OD1 ASP A 17 10.576 15.023 -1.211 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.930 14.585 -2.600 1.00 0.00 O ATOM 0 H ASP A 17 10.829 10.240 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 17 11.728 12.832 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.245 12.184 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.875 12.529 -0.502 1.00 0.00 H new ATOM 239 N GLN A 18 12.334 11.544 0.124 1.00 0.00 N ATOM 240 CA GLN A 18 13.236 11.612 1.268 1.00 0.00 C ATOM 241 C GLN A 18 14.210 10.439 1.263 1.00 0.00 C ATOM 242 O GLN A 18 14.369 9.746 2.269 1.00 0.00 O ATOM 243 CB GLN A 18 12.438 11.623 2.573 1.00 0.00 C ATOM 244 CG GLN A 18 11.890 12.993 2.939 1.00 0.00 C ATOM 245 CD GLN A 18 10.793 13.453 1.999 1.00 0.00 C ATOM 246 OE1 GLN A 18 10.849 14.556 1.454 1.00 0.00 O ATOM 247 NE2 GLN A 18 9.788 12.608 1.804 1.00 0.00 N ATOM 0 H GLN A 18 11.669 10.771 0.156 1.00 0.00 H new ATOM 0 HA GLN A 18 13.809 12.536 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.609 10.920 2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.076 11.268 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.502 12.965 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.702 13.720 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.783 11.704 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.021 12.863 1.182 1.00 0.00 H new ATOM 256 N HIS A 19 14.861 10.220 0.125 1.00 0.00 N ATOM 257 CA HIS A 19 15.821 9.130 -0.010 1.00 0.00 C ATOM 258 C HIS A 19 15.163 7.787 0.290 1.00 0.00 C ATOM 259 O HIS A 19 15.735 6.945 0.980 1.00 0.00 O ATOM 260 CB HIS A 19 17.009 9.350 0.926 1.00 0.00 C ATOM 261 CG HIS A 19 17.819 10.564 0.590 1.00 0.00 C ATOM 262 ND1 HIS A 19 19.037 10.502 -0.053 1.00 0.00 N ATOM 263 CD2 HIS A 19 17.579 11.878 0.811 1.00 0.00 C ATOM 264 CE1 HIS A 19 19.512 11.725 -0.212 1.00 0.00 C ATOM 265 NE2 HIS A 19 18.645 12.578 0.303 1.00 0.00 N ATOM 0 H HIS A 19 14.741 10.783 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 19 16.178 9.118 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 19 16.643 9.439 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.654 8.472 0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.710 12.297 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.449 11.983 -0.683 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.750 13.592 0.320 1.00 0.00 H new ATOM 274 N GLY A 20 13.955 7.594 -0.232 1.00 0.00 N ATOM 275 CA GLY A 20 13.239 6.352 -0.008 1.00 0.00 C ATOM 276 C GLY A 20 11.798 6.579 0.404 1.00 0.00 C ATOM 277 O GLY A 20 11.489 7.547 1.100 1.00 0.00 O ATOM 0 H GLY A 20 13.460 8.276 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.263 5.753 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.748 5.777 0.765 1.00 0.00 H new ATOM 281 N PHE A 21 10.913 5.687 -0.029 1.00 0.00 N ATOM 282 CA PHE A 21 9.496 5.797 0.297 1.00 0.00 C ATOM 283 C PHE A 21 9.288 5.856 1.807 1.00 0.00 C ATOM 284 O PHE A 21 10.233 5.712 2.581 1.00 0.00 O ATOM 285 CB PHE A 21 8.723 4.614 -0.290 1.00 0.00 C ATOM 286 CG PHE A 21 9.086 4.309 -1.715 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.729 5.175 -2.736 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.784 3.155 -2.035 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.061 4.897 -4.048 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.119 2.871 -3.345 1.00 0.00 C ATOM 291 CZ PHE A 21 9.758 3.744 -4.353 1.00 0.00 C ATOM 0 H PHE A 21 11.152 4.881 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 21 9.119 6.722 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.908 3.730 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.655 4.824 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.185 6.078 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.069 2.469 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.776 5.580 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.662 1.968 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.020 3.525 -5.378 1.00 0.00 H new ATOM 301 N GLY A 22 8.042 6.069 2.219 1.00 0.00 N ATOM 302 CA GLY A 22 7.731 6.144 3.635 1.00 0.00 C ATOM 303 C GLY A 22 6.421 5.463 3.978 1.00 0.00 C ATOM 304 O GLY A 22 5.684 5.922 4.850 1.00 0.00 O ATOM 0 H GLY A 22 7.242 6.191 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.537 5.683 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.684 7.190 3.938 1.00 0.00 H new ATOM 308 N PHE A 23 6.129 4.364 3.289 1.00 0.00 N ATOM 309 CA PHE A 23 4.897 3.620 3.523 1.00 0.00 C ATOM 310 C PHE A 23 5.166 2.118 3.546 1.00 0.00 C ATOM 311 O PHE A 23 5.734 1.562 2.605 1.00 0.00 O ATOM 312 CB PHE A 23 3.864 3.948 2.444 1.00 0.00 C ATOM 313 CG PHE A 23 4.195 3.365 1.100 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.153 3.955 0.291 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.549 2.226 0.646 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.459 3.421 -0.947 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.852 1.687 -0.590 1.00 0.00 C ATOM 318 CZ PHE A 23 4.808 2.285 -1.387 1.00 0.00 C ATOM 0 H PHE A 23 6.729 3.969 2.564 1.00 0.00 H new ATOM 0 HA PHE A 23 4.502 3.916 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.889 3.578 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.779 5.031 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.666 4.842 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.800 1.754 1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.206 3.891 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.342 0.799 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.046 1.865 -2.353 1.00 0.00 H new ATOM 328 N THR A 24 4.754 1.465 4.629 1.00 0.00 N ATOM 329 CA THR A 24 4.951 0.028 4.776 1.00 0.00 C ATOM 330 C THR A 24 3.631 -0.723 4.650 1.00 0.00 C ATOM 331 O THR A 24 2.608 -0.298 5.188 1.00 0.00 O ATOM 332 CB THR A 24 5.596 -0.314 6.132 1.00 0.00 C ATOM 333 OG1 THR A 24 4.747 0.118 7.201 1.00 0.00 O ATOM 334 CG2 THR A 24 6.961 0.345 6.264 1.00 0.00 C ATOM 0 H THR A 24 4.282 1.909 5.417 1.00 0.00 H new ATOM 0 HA THR A 24 5.621 -0.283 3.974 1.00 0.00 H new ATOM 0 HB THR A 24 5.725 -1.395 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.163 -0.105 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.397 0.089 7.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.614 -0.008 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.851 1.427 6.191 1.00 0.00 H new ATOM 342 N VAL A 25 3.659 -1.844 3.936 1.00 0.00 N ATOM 343 CA VAL A 25 2.464 -2.657 3.741 1.00 0.00 C ATOM 344 C VAL A 25 2.620 -4.027 4.390 1.00 0.00 C ATOM 345 O VAL A 25 3.695 -4.377 4.875 1.00 0.00 O ATOM 346 CB VAL A 25 2.150 -2.842 2.244 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.251 -1.721 1.744 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.436 -2.907 1.434 1.00 0.00 C ATOM 0 H VAL A 25 4.496 -2.210 3.483 1.00 0.00 H new ATOM 0 HA VAL A 25 1.638 -2.126 4.215 1.00 0.00 H new ATOM 0 HB VAL A 25 1.619 -3.785 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.040 -1.869 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.316 -1.727 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.752 -0.763 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.195 -3.038 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.996 -1.982 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.039 -3.748 1.776 1.00 0.00 H new ATOM 358 N SER A 26 1.538 -4.800 4.394 1.00 0.00 N ATOM 359 CA SER A 26 1.553 -6.132 4.987 1.00 0.00 C ATOM 360 C SER A 26 0.296 -6.909 4.607 1.00 0.00 C ATOM 361 O SER A 26 -0.818 -6.395 4.700 1.00 0.00 O ATOM 362 CB SER A 26 1.666 -6.035 6.509 1.00 0.00 C ATOM 363 OG SER A 26 0.400 -5.792 7.100 1.00 0.00 O ATOM 0 H SER A 26 0.641 -4.527 3.993 1.00 0.00 H new ATOM 0 HA SER A 26 2.421 -6.666 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.084 -6.960 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.355 -5.234 6.775 1.00 0.00 H new ATOM 0 HG SER A 26 0.498 -5.144 7.829 1.00 0.00 H new ATOM 369 N GLY A 27 0.484 -8.154 4.178 1.00 0.00 N ATOM 370 CA GLY A 27 -0.642 -8.983 3.790 1.00 0.00 C ATOM 371 C GLY A 27 -0.299 -9.936 2.663 1.00 0.00 C ATOM 372 O GLY A 27 0.430 -9.578 1.738 1.00 0.00 O ATOM 0 H GLY A 27 1.396 -8.603 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.983 -9.554 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.470 -8.345 3.482 1.00 0.00 H new ATOM 376 N ASP A 28 -0.823 -11.154 2.740 1.00 0.00 N ATOM 377 CA ASP A 28 -0.568 -12.163 1.718 1.00 0.00 C ATOM 378 C ASP A 28 -1.389 -11.884 0.462 1.00 0.00 C ATOM 379 O ASP A 28 -0.860 -11.419 -0.547 1.00 0.00 O ATOM 380 CB ASP A 28 -0.892 -13.558 2.255 1.00 0.00 C ATOM 381 CG ASP A 28 -1.057 -14.581 1.148 1.00 0.00 C ATOM 382 OD1 ASP A 28 -0.036 -15.155 0.715 1.00 0.00 O ATOM 383 OD2 ASP A 28 -2.206 -14.806 0.715 1.00 0.00 O ATOM 0 H ASP A 28 -1.427 -11.467 3.500 1.00 0.00 H new ATOM 0 HA ASP A 28 0.489 -12.120 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.096 -13.879 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.808 -13.514 2.844 1.00 0.00 H new ATOM 388 N ARG A 29 -2.685 -12.173 0.533 1.00 0.00 N ATOM 389 CA ARG A 29 -3.578 -11.956 -0.599 1.00 0.00 C ATOM 390 C ARG A 29 -3.648 -10.475 -0.960 1.00 0.00 C ATOM 391 O ARG A 29 -3.091 -10.046 -1.971 1.00 0.00 O ATOM 392 CB ARG A 29 -4.979 -12.480 -0.277 1.00 0.00 C ATOM 393 CG ARG A 29 -5.930 -12.443 -1.463 1.00 0.00 C ATOM 394 CD ARG A 29 -7.332 -12.879 -1.066 1.00 0.00 C ATOM 395 NE ARG A 29 -7.862 -12.080 0.035 1.00 0.00 N ATOM 396 CZ ARG A 29 -9.006 -12.350 0.654 1.00 0.00 C ATOM 397 NH1 ARG A 29 -9.736 -13.392 0.281 1.00 0.00 N ATOM 398 NH2 ARG A 29 -9.423 -11.576 1.648 1.00 0.00 N ATOM 0 H ARG A 29 -3.139 -12.557 1.361 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.180 -12.502 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.900 -13.506 0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.401 -11.888 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.964 -11.433 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.555 -13.095 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.995 -12.795 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.317 -13.930 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.325 -11.271 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.420 -13.989 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.614 -13.597 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.865 -10.773 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.302 -11.784 2.122 1.00 0.00 H new ATOM 412 N ILE A 30 -4.335 -9.700 -0.128 1.00 0.00 N ATOM 413 CA ILE A 30 -4.477 -8.268 -0.359 1.00 0.00 C ATOM 414 C ILE A 30 -3.436 -7.478 0.427 1.00 0.00 C ATOM 415 O ILE A 30 -3.160 -7.780 1.588 1.00 0.00 O ATOM 416 CB ILE A 30 -5.882 -7.771 0.027 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.000 -7.640 1.547 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.945 -8.716 -0.512 1.00 0.00 C ATOM 419 CD1 ILE A 30 -5.931 -8.965 2.275 1.00 0.00 C ATOM 0 H ILE A 30 -4.802 -10.040 0.713 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.324 -8.105 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.038 -6.788 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.202 -6.993 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.943 -7.150 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.933 -8.351 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.872 -8.764 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.793 -9.711 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.021 -8.796 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.745 -9.607 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.977 -9.447 2.063 1.00 0.00 H new ATOM 431 N VAL A 31 -2.863 -6.463 -0.212 1.00 0.00 N ATOM 432 CA VAL A 31 -1.855 -5.627 0.428 1.00 0.00 C ATOM 433 C VAL A 31 -2.448 -4.296 0.875 1.00 0.00 C ATOM 434 O VAL A 31 -2.831 -3.466 0.049 1.00 0.00 O ATOM 435 CB VAL A 31 -0.668 -5.357 -0.515 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.389 -4.515 0.184 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.075 -6.666 -1.013 1.00 0.00 C ATOM 0 H VAL A 31 -3.080 -6.200 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.498 -6.174 1.301 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.031 -4.798 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.220 -4.335 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.046 -3.562 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.751 -5.044 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.763 -6.456 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.274 -7.254 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.836 -7.228 -1.554 1.00 0.00 H new ATOM 447 N LEU A 32 -2.521 -4.097 2.187 1.00 0.00 N ATOM 448 CA LEU A 32 -3.067 -2.865 2.745 1.00 0.00 C ATOM 449 C LEU A 32 -1.968 -2.021 3.382 1.00 0.00 C ATOM 450 O LEU A 32 -0.992 -2.552 3.911 1.00 0.00 O ATOM 451 CB LEU A 32 -4.145 -3.186 3.782 1.00 0.00 C ATOM 452 CG LEU A 32 -5.561 -3.383 3.239 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.378 -4.252 4.183 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.242 -2.039 3.026 1.00 0.00 C ATOM 0 H LEU A 32 -2.209 -4.773 2.884 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.513 -2.293 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.852 -4.092 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.167 -2.380 4.515 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.493 -3.891 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.383 -4.381 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.900 -5.226 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.437 -3.772 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.249 -2.198 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.298 -1.505 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.668 -1.449 2.311 1.00 0.00 H new ATOM 466 N VAL A 33 -2.134 -0.704 3.328 1.00 0.00 N ATOM 467 CA VAL A 33 -1.158 0.214 3.902 1.00 0.00 C ATOM 468 C VAL A 33 -1.117 0.092 5.421 1.00 0.00 C ATOM 469 O VAL A 33 -2.110 0.348 6.101 1.00 0.00 O ATOM 470 CB VAL A 33 -1.470 1.674 3.524 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.489 2.622 4.197 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.442 1.850 2.013 1.00 0.00 C ATOM 0 H VAL A 33 -2.936 -0.248 2.892 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.186 -0.060 3.491 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.472 1.916 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.726 3.649 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.563 2.514 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.525 2.383 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.665 2.887 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.453 1.590 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.188 1.199 1.557 1.00 0.00 H new ATOM 482 N GLN A 34 0.040 -0.300 5.947 1.00 0.00 N ATOM 483 CA GLN A 34 0.210 -0.455 7.386 1.00 0.00 C ATOM 484 C GLN A 34 0.369 0.901 8.066 1.00 0.00 C ATOM 485 O GLN A 34 -0.327 1.206 9.034 1.00 0.00 O ATOM 486 CB GLN A 34 1.426 -1.334 7.685 1.00 0.00 C ATOM 487 CG GLN A 34 1.448 -1.881 9.103 1.00 0.00 C ATOM 488 CD GLN A 34 0.534 -3.077 9.282 1.00 0.00 C ATOM 489 OE1 GLN A 34 0.984 -4.223 9.279 1.00 0.00 O ATOM 490 NE2 GLN A 34 -0.759 -2.816 9.439 1.00 0.00 N ATOM 0 H GLN A 34 0.872 -0.516 5.398 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.684 -0.936 7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.443 -2.167 6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.333 -0.755 7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.468 -2.166 9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.150 -1.094 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.089 -1.851 9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.422 -3.581 9.564 1.00 0.00 H new ATOM 499 N SER A 35 1.290 1.710 7.552 1.00 0.00 N ATOM 500 CA SER A 35 1.543 3.033 8.112 1.00 0.00 C ATOM 501 C SER A 35 2.087 3.979 7.046 1.00 0.00 C ATOM 502 O SER A 35 2.751 3.552 6.101 1.00 0.00 O ATOM 503 CB SER A 35 2.530 2.936 9.277 1.00 0.00 C ATOM 504 OG SER A 35 2.301 3.963 10.227 1.00 0.00 O ATOM 0 H SER A 35 1.873 1.473 6.749 1.00 0.00 H new ATOM 0 HA SER A 35 0.598 3.433 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.434 1.963 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.550 3.006 8.900 1.00 0.00 H new ATOM 0 HG SER A 35 2.943 3.878 10.962 1.00 0.00 H new ATOM 510 N VAL A 36 1.801 5.267 7.206 1.00 0.00 N ATOM 511 CA VAL A 36 2.262 6.276 6.259 1.00 0.00 C ATOM 512 C VAL A 36 3.055 7.370 6.964 1.00 0.00 C ATOM 513 O VAL A 36 2.487 8.216 7.654 1.00 0.00 O ATOM 514 CB VAL A 36 1.083 6.917 5.504 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.579 8.005 4.563 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.299 5.859 4.742 1.00 0.00 C ATOM 0 H VAL A 36 1.252 5.637 7.982 1.00 0.00 H new ATOM 0 HA VAL A 36 2.908 5.767 5.544 1.00 0.00 H new ATOM 0 HB VAL A 36 0.415 7.377 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.732 8.446 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.092 8.776 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.269 7.573 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.530 6.330 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.955 5.368 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.090 5.120 5.442 1.00 0.00 H new ATOM 526 N ARG A 37 4.372 7.347 6.786 1.00 0.00 N ATOM 527 CA ARG A 37 5.244 8.337 7.406 1.00 0.00 C ATOM 528 C ARG A 37 4.571 9.705 7.447 1.00 0.00 C ATOM 529 O ARG A 37 3.959 10.153 6.477 1.00 0.00 O ATOM 530 CB ARG A 37 6.567 8.431 6.644 1.00 0.00 C ATOM 531 CG ARG A 37 7.641 9.214 7.381 1.00 0.00 C ATOM 532 CD ARG A 37 8.252 8.396 8.509 1.00 0.00 C ATOM 533 NE ARG A 37 9.121 7.336 8.006 1.00 0.00 N ATOM 534 CZ ARG A 37 9.403 6.232 8.689 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.887 6.045 9.896 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.203 5.312 8.165 1.00 0.00 N ATOM 0 H ARG A 37 4.858 6.654 6.218 1.00 0.00 H new ATOM 0 HA ARG A 37 5.443 8.018 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.935 7.424 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.387 8.900 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.422 9.510 6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.212 10.130 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.823 9.053 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.456 7.958 9.111 1.00 0.00 H new ATOM 0 HE ARG A 37 9.534 7.449 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.272 6.750 10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.105 5.196 10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.602 5.452 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.419 4.465 8.690 1.00 0.00 H new ATOM 550 N PRO A 38 4.684 10.387 8.597 1.00 0.00 N ATOM 551 CA PRO A 38 4.092 11.714 8.793 1.00 0.00 C ATOM 552 C PRO A 38 4.796 12.789 7.972 1.00 0.00 C ATOM 553 O PRO A 38 5.659 13.505 8.479 1.00 0.00 O ATOM 554 CB PRO A 38 4.285 11.971 10.289 1.00 0.00 C ATOM 555 CG PRO A 38 5.459 11.136 10.669 1.00 0.00 C ATOM 556 CD PRO A 38 5.399 9.914 9.795 1.00 0.00 C ATOM 0 HA PRO A 38 3.051 11.748 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.469 13.027 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.398 11.689 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.391 11.680 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.419 10.864 11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.395 9.546 9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.869 9.096 10.283 1.00 0.00 H new ATOM 564 N GLY A 39 4.422 12.897 6.701 1.00 0.00 N ATOM 565 CA GLY A 39 5.028 13.888 5.831 1.00 0.00 C ATOM 566 C GLY A 39 6.169 13.319 5.011 1.00 0.00 C ATOM 567 O GLY A 39 7.235 13.926 4.912 1.00 0.00 O ATOM 0 H GLY A 39 3.710 12.316 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.269 14.292 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.396 14.719 6.433 1.00 0.00 H new ATOM 571 N GLY A 40 5.946 12.149 4.421 1.00 0.00 N ATOM 572 CA GLY A 40 6.974 11.517 3.614 1.00 0.00 C ATOM 573 C GLY A 40 6.732 11.690 2.127 1.00 0.00 C ATOM 574 O GLY A 40 6.508 12.804 1.654 1.00 0.00 O ATOM 0 H GLY A 40 5.072 11.627 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.945 11.939 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.015 10.454 3.851 1.00 0.00 H new ATOM 578 N ALA A 41 6.780 10.586 1.389 1.00 0.00 N ATOM 579 CA ALA A 41 6.564 10.621 -0.052 1.00 0.00 C ATOM 580 C ALA A 41 5.247 9.950 -0.426 1.00 0.00 C ATOM 581 O ALA A 41 4.610 10.318 -1.413 1.00 0.00 O ATOM 582 CB ALA A 41 7.724 9.952 -0.775 1.00 0.00 C ATOM 0 H ALA A 41 6.967 9.656 1.765 1.00 0.00 H new ATOM 0 HA ALA A 41 6.510 11.665 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.550 9.985 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.650 10.477 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.804 8.914 -0.452 1.00 0.00 H new ATOM 588 N ALA A 42 4.844 8.963 0.368 1.00 0.00 N ATOM 589 CA ALA A 42 3.602 8.242 0.121 1.00 0.00 C ATOM 590 C ALA A 42 2.393 9.068 0.546 1.00 0.00 C ATOM 591 O ALA A 42 1.334 9.002 -0.078 1.00 0.00 O ATOM 592 CB ALA A 42 3.614 6.906 0.849 1.00 0.00 C ATOM 0 H ALA A 42 5.360 8.645 1.188 1.00 0.00 H new ATOM 0 HA ALA A 42 3.524 8.059 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.680 6.378 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.451 6.305 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.719 7.076 1.920 1.00 0.00 H new ATOM 598 N MET A 43 2.559 9.844 1.612 1.00 0.00 N ATOM 599 CA MET A 43 1.480 10.684 2.120 1.00 0.00 C ATOM 600 C MET A 43 1.165 11.814 1.145 1.00 0.00 C ATOM 601 O MET A 43 0.001 12.115 0.882 1.00 0.00 O ATOM 602 CB MET A 43 1.855 11.262 3.486 1.00 0.00 C ATOM 603 CG MET A 43 0.755 12.104 4.112 1.00 0.00 C ATOM 604 SD MET A 43 1.152 12.628 5.791 1.00 0.00 S ATOM 605 CE MET A 43 0.698 11.164 6.719 1.00 0.00 C ATOM 0 H MET A 43 3.429 9.909 2.140 1.00 0.00 H new ATOM 0 HA MET A 43 0.590 10.064 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.104 10.444 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.752 11.872 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.579 12.984 3.493 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.173 11.532 4.124 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.578 11.423 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.241 10.766 6.334 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.480 10.412 6.618 1.00 0.00 H new ATOM 615 N LYS A 44 2.211 12.437 0.611 1.00 0.00 N ATOM 616 CA LYS A 44 2.047 13.534 -0.335 1.00 0.00 C ATOM 617 C LYS A 44 1.570 13.017 -1.689 1.00 0.00 C ATOM 618 O LYS A 44 0.882 13.723 -2.426 1.00 0.00 O ATOM 619 CB LYS A 44 3.366 14.292 -0.503 1.00 0.00 C ATOM 620 CG LYS A 44 4.508 13.422 -1.001 1.00 0.00 C ATOM 621 CD LYS A 44 5.672 14.262 -1.498 1.00 0.00 C ATOM 622 CE LYS A 44 5.360 14.911 -2.837 1.00 0.00 C ATOM 623 NZ LYS A 44 6.519 15.687 -3.361 1.00 0.00 N ATOM 0 H LYS A 44 3.181 12.200 0.818 1.00 0.00 H new ATOM 0 HA LYS A 44 1.293 14.213 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.216 15.115 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.647 14.733 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.847 12.769 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.152 12.779 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.905 15.034 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.559 13.636 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.082 14.142 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.500 15.572 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.499 15.681 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.463 16.668 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.405 15.255 -3.029 1.00 0.00 H new ATOM 637 N ALA A 45 1.938 11.781 -2.009 1.00 0.00 N ATOM 638 CA ALA A 45 1.544 11.169 -3.272 1.00 0.00 C ATOM 639 C ALA A 45 0.033 10.981 -3.343 1.00 0.00 C ATOM 640 O ALA A 45 -0.560 11.038 -4.419 1.00 0.00 O ATOM 641 CB ALA A 45 2.254 9.836 -3.456 1.00 0.00 C ATOM 0 H ALA A 45 2.509 11.184 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 45 1.838 11.839 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.951 9.390 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.332 9.995 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.988 9.166 -2.638 1.00 0.00 H new ATOM 647 N GLY A 46 -0.586 10.754 -2.188 1.00 0.00 N ATOM 648 CA GLY A 46 -2.023 10.560 -2.142 1.00 0.00 C ATOM 649 C GLY A 46 -2.408 9.212 -1.565 1.00 0.00 C ATOM 650 O GLY A 46 -3.478 8.682 -1.865 1.00 0.00 O ATOM 0 H GLY A 46 -0.117 10.701 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.474 11.351 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.431 10.651 -3.149 1.00 0.00 H new ATOM 654 N VAL A 47 -1.533 8.654 -0.734 1.00 0.00 N ATOM 655 CA VAL A 47 -1.785 7.359 -0.114 1.00 0.00 C ATOM 656 C VAL A 47 -1.964 7.498 1.394 1.00 0.00 C ATOM 657 O VAL A 47 -1.193 8.188 2.061 1.00 0.00 O ATOM 658 CB VAL A 47 -0.640 6.369 -0.395 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.924 5.024 0.257 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.430 6.210 -1.893 1.00 0.00 C ATOM 0 H VAL A 47 -0.643 9.079 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.705 6.972 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 47 0.277 6.769 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.104 4.338 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.021 5.155 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.851 4.614 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.383 5.507 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.345 5.833 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.178 7.176 -2.330 1.00 0.00 H new ATOM 670 N LYS A 48 -2.986 6.836 1.927 1.00 0.00 N ATOM 671 CA LYS A 48 -3.266 6.883 3.357 1.00 0.00 C ATOM 672 C LYS A 48 -3.442 5.477 3.923 1.00 0.00 C ATOM 673 O LYS A 48 -3.309 4.488 3.203 1.00 0.00 O ATOM 674 CB LYS A 48 -4.524 7.712 3.624 1.00 0.00 C ATOM 675 CG LYS A 48 -5.806 7.036 3.172 1.00 0.00 C ATOM 676 CD LYS A 48 -6.080 7.286 1.699 1.00 0.00 C ATOM 677 CE LYS A 48 -6.896 8.552 1.491 1.00 0.00 C ATOM 678 NZ LYS A 48 -7.399 8.665 0.093 1.00 0.00 N ATOM 0 H LYS A 48 -3.634 6.260 1.389 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.417 7.352 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.591 7.922 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.431 8.672 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.736 5.963 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.642 7.405 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.136 7.368 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.614 6.434 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.739 8.558 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.283 9.422 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.950 9.541 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.594 8.685 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.004 7.848 -0.125 1.00 0.00 H new ATOM 692 N GLU A 49 -3.742 5.398 5.215 1.00 0.00 N ATOM 693 CA GLU A 49 -3.936 4.113 5.876 1.00 0.00 C ATOM 694 C GLU A 49 -5.210 3.433 5.382 1.00 0.00 C ATOM 695 O GLU A 49 -6.156 4.096 4.958 1.00 0.00 O ATOM 696 CB GLU A 49 -4.001 4.299 7.394 1.00 0.00 C ATOM 697 CG GLU A 49 -2.662 4.650 8.021 1.00 0.00 C ATOM 698 CD GLU A 49 -1.844 3.423 8.376 1.00 0.00 C ATOM 699 OE1 GLU A 49 -1.568 2.611 7.468 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.481 3.275 9.562 1.00 0.00 O ATOM 0 H GLU A 49 -3.856 6.208 5.825 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.086 3.476 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.719 5.086 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.377 3.382 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.094 5.273 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.830 5.242 8.920 1.00 0.00 H new ATOM 707 N GLY A 50 -5.226 2.105 5.438 1.00 0.00 N ATOM 708 CA GLY A 50 -6.387 1.357 4.992 1.00 0.00 C ATOM 709 C GLY A 50 -6.571 1.415 3.489 1.00 0.00 C ATOM 710 O GLY A 50 -7.699 1.423 2.995 1.00 0.00 O ATOM 0 H GLY A 50 -4.455 1.533 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.287 0.317 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.279 1.751 5.480 1.00 0.00 H new ATOM 714 N ASP A 51 -5.462 1.457 2.759 1.00 0.00 N ATOM 715 CA ASP A 51 -5.506 1.515 1.303 1.00 0.00 C ATOM 716 C ASP A 51 -5.142 0.165 0.693 1.00 0.00 C ATOM 717 O ASP A 51 -3.983 -0.250 0.727 1.00 0.00 O ATOM 718 CB ASP A 51 -4.556 2.596 0.785 1.00 0.00 C ATOM 719 CG ASP A 51 -5.228 3.949 0.665 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.702 4.469 1.696 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.280 4.488 -0.461 1.00 0.00 O ATOM 0 H ASP A 51 -4.521 1.452 3.152 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.524 1.764 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.701 2.677 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.169 2.298 -0.189 1.00 0.00 H new ATOM 726 N ARG A 52 -6.139 -0.516 0.138 1.00 0.00 N ATOM 727 CA ARG A 52 -5.924 -1.821 -0.476 1.00 0.00 C ATOM 728 C ARG A 52 -5.469 -1.671 -1.925 1.00 0.00 C ATOM 729 O ARG A 52 -6.179 -1.098 -2.752 1.00 0.00 O ATOM 730 CB ARG A 52 -7.205 -2.654 -0.417 1.00 0.00 C ATOM 731 CG ARG A 52 -6.957 -4.153 -0.402 1.00 0.00 C ATOM 732 CD ARG A 52 -8.141 -4.909 0.181 1.00 0.00 C ATOM 733 NE ARG A 52 -9.412 -4.262 -0.133 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.584 -4.678 0.333 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.646 -5.736 1.130 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.697 -4.037 0.002 1.00 0.00 N ATOM 0 H ARG A 52 -7.103 -0.186 0.101 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.140 -2.333 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.767 -2.378 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.829 -2.406 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.766 -4.501 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.063 -4.369 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.147 -5.928 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.028 -4.981 1.263 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.399 -3.445 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.792 -6.232 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.547 -6.054 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.654 -3.223 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.596 -4.358 0.361 1.00 0.00 H new ATOM 750 N ILE A 53 -4.282 -2.189 -2.224 1.00 0.00 N ATOM 751 CA ILE A 53 -3.734 -2.113 -3.572 1.00 0.00 C ATOM 752 C ILE A 53 -4.140 -3.327 -4.400 1.00 0.00 C ATOM 753 O ILE A 53 -4.120 -4.458 -3.913 1.00 0.00 O ATOM 754 CB ILE A 53 -2.197 -2.011 -3.550 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.756 -0.796 -2.731 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.651 -1.927 -4.967 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.403 -0.967 -2.076 1.00 0.00 C ATOM 0 H ILE A 53 -3.682 -2.666 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.143 -1.212 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.795 -2.908 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.728 0.079 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.501 -0.598 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.564 -1.855 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.939 -2.820 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.058 -1.045 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.155 -0.067 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.431 -1.822 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.354 -1.135 -2.842 1.00 0.00 H new ATOM 769 N ILE A 54 -4.505 -3.085 -5.654 1.00 0.00 N ATOM 770 CA ILE A 54 -4.913 -4.160 -6.551 1.00 0.00 C ATOM 771 C ILE A 54 -3.832 -4.453 -7.586 1.00 0.00 C ATOM 772 O ILE A 54 -3.458 -5.606 -7.801 1.00 0.00 O ATOM 773 CB ILE A 54 -6.226 -3.817 -7.280 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.269 -3.305 -6.285 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.750 -5.034 -8.027 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.603 -2.983 -6.920 1.00 0.00 C ATOM 0 H ILE A 54 -4.527 -2.155 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.070 -5.044 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.027 -3.028 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.417 -4.055 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.884 -2.411 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.678 -4.776 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.011 -5.357 -8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.937 -5.842 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.293 -2.626 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.469 -2.210 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.010 -3.880 -7.386 1.00 0.00 H new ATOM 788 N LYS A 55 -3.330 -3.400 -8.223 1.00 0.00 N ATOM 789 CA LYS A 55 -2.288 -3.542 -9.233 1.00 0.00 C ATOM 790 C LYS A 55 -1.085 -2.666 -8.901 1.00 0.00 C ATOM 791 O LYS A 55 -1.208 -1.667 -8.192 1.00 0.00 O ATOM 792 CB LYS A 55 -2.835 -3.173 -10.614 1.00 0.00 C ATOM 793 CG LYS A 55 -1.975 -3.672 -11.762 1.00 0.00 C ATOM 794 CD LYS A 55 -2.752 -3.707 -13.067 1.00 0.00 C ATOM 795 CE LYS A 55 -2.910 -2.314 -13.659 1.00 0.00 C ATOM 796 NZ LYS A 55 -4.099 -2.222 -14.551 1.00 0.00 N ATOM 0 H LYS A 55 -3.628 -2.439 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.965 -4.583 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.840 -3.583 -10.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.924 -2.089 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.104 -3.026 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.603 -4.671 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.238 -4.351 -13.781 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.736 -4.144 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.003 -1.586 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.013 -2.055 -14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.172 -1.258 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.999 -2.899 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.958 -2.445 -14.009 1.00 0.00 H new ATOM 810 N VAL A 56 0.079 -3.047 -9.418 1.00 0.00 N ATOM 811 CA VAL A 56 1.305 -2.295 -9.177 1.00 0.00 C ATOM 812 C VAL A 56 2.046 -2.020 -10.481 1.00 0.00 C ATOM 813 O VAL A 56 2.702 -2.904 -11.032 1.00 0.00 O ATOM 814 CB VAL A 56 2.244 -3.045 -8.214 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.530 -2.261 -8.003 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.547 -3.307 -6.888 1.00 0.00 C ATOM 0 H VAL A 56 0.199 -3.872 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 56 1.012 -1.349 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 56 2.501 -4.006 -8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.181 -2.807 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.037 -2.129 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.295 -1.285 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.225 -3.838 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.259 -2.358 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.657 -3.913 -7.058 1.00 0.00 H new ATOM 826 N ASN A 57 1.937 -0.789 -10.970 1.00 0.00 N ATOM 827 CA ASN A 57 2.597 -0.398 -12.210 1.00 0.00 C ATOM 828 C ASN A 57 2.326 -1.414 -13.315 1.00 0.00 C ATOM 829 O ASN A 57 3.141 -1.598 -14.217 1.00 0.00 O ATOM 830 CB ASN A 57 4.105 -0.259 -11.988 1.00 0.00 C ATOM 831 CG ASN A 57 4.758 0.651 -13.009 1.00 0.00 C ATOM 832 OD1 ASN A 57 4.439 0.600 -14.197 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.679 1.491 -12.550 1.00 0.00 N ATOM 0 H ASN A 57 1.398 -0.045 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 57 2.192 0.565 -12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.288 0.132 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.569 -1.244 -12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.153 2.128 -13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.912 1.499 -11.557 1.00 0.00 H new ATOM 840 N GLY A 58 1.172 -2.072 -13.237 1.00 0.00 N ATOM 841 CA GLY A 58 0.813 -3.061 -14.236 1.00 0.00 C ATOM 842 C GLY A 58 0.729 -4.461 -13.661 1.00 0.00 C ATOM 843 O GLY A 58 -0.195 -5.214 -13.972 1.00 0.00 O ATOM 0 H GLY A 58 0.480 -1.937 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.147 -2.795 -14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.549 -3.045 -15.040 1.00 0.00 H new ATOM 847 N THR A 59 1.697 -4.814 -12.821 1.00 0.00 N ATOM 848 CA THR A 59 1.730 -6.134 -12.204 1.00 0.00 C ATOM 849 C THR A 59 0.620 -6.285 -11.170 1.00 0.00 C ATOM 850 O THR A 59 0.682 -5.701 -10.089 1.00 0.00 O ATOM 851 CB THR A 59 3.086 -6.404 -11.527 1.00 0.00 C ATOM 852 OG1 THR A 59 4.149 -6.224 -12.470 1.00 0.00 O ATOM 853 CG2 THR A 59 3.137 -7.815 -10.960 1.00 0.00 C ATOM 0 H THR A 59 2.469 -4.204 -12.552 1.00 0.00 H new ATOM 0 HA THR A 59 1.580 -6.860 -13.003 1.00 0.00 H new ATOM 0 HB THR A 59 3.205 -5.696 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.008 -6.396 -12.031 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.105 -7.982 -10.487 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.345 -7.939 -10.221 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.998 -8.536 -11.765 1.00 0.00 H new ATOM 861 N MET A 60 -0.395 -7.074 -11.510 1.00 0.00 N ATOM 862 CA MET A 60 -1.518 -7.304 -10.609 1.00 0.00 C ATOM 863 C MET A 60 -1.102 -8.183 -9.434 1.00 0.00 C ATOM 864 O MET A 60 -0.875 -9.383 -9.594 1.00 0.00 O ATOM 865 CB MET A 60 -2.679 -7.955 -11.362 1.00 0.00 C ATOM 866 CG MET A 60 -4.036 -7.702 -10.725 1.00 0.00 C ATOM 867 SD MET A 60 -5.373 -8.568 -11.570 1.00 0.00 S ATOM 868 CE MET A 60 -5.863 -7.338 -12.777 1.00 0.00 C ATOM 0 H MET A 60 -0.462 -7.564 -12.402 1.00 0.00 H new ATOM 0 HA MET A 60 -1.842 -6.339 -10.220 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.692 -7.581 -12.386 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.508 -9.030 -11.417 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.007 -8.016 -9.682 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.241 -6.632 -10.730 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.684 -7.726 -13.379 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.186 -6.433 -12.263 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.017 -7.106 -13.424 1.00 0.00 H new ATOM 878 N VAL A 61 -1.004 -7.579 -8.254 1.00 0.00 N ATOM 879 CA VAL A 61 -0.616 -8.308 -7.052 1.00 0.00 C ATOM 880 C VAL A 61 -1.840 -8.734 -6.249 1.00 0.00 C ATOM 881 O VAL A 61 -1.747 -9.008 -5.052 1.00 0.00 O ATOM 882 CB VAL A 61 0.304 -7.460 -6.154 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.576 -7.084 -6.897 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.426 -6.218 -5.667 1.00 0.00 C ATOM 0 H VAL A 61 -1.188 -6.587 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.074 -9.195 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 61 0.583 -8.054 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.214 -6.485 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.107 -7.989 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.321 -6.507 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.239 -5.630 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.735 -5.619 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.305 -6.514 -5.094 1.00 0.00 H new ATOM 894 N THR A 62 -2.989 -8.790 -6.915 1.00 0.00 N ATOM 895 CA THR A 62 -4.232 -9.182 -6.264 1.00 0.00 C ATOM 896 C THR A 62 -3.990 -10.274 -5.228 1.00 0.00 C ATOM 897 O THR A 62 -4.519 -10.219 -4.119 1.00 0.00 O ATOM 898 CB THR A 62 -5.269 -9.683 -7.287 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.605 -10.303 -8.394 1.00 0.00 O ATOM 900 CG2 THR A 62 -6.134 -8.535 -7.787 1.00 0.00 C ATOM 0 H THR A 62 -3.084 -8.568 -7.906 1.00 0.00 H new ATOM 0 HA THR A 62 -4.622 -8.293 -5.768 1.00 0.00 H new ATOM 0 HB THR A 62 -5.911 -10.413 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.271 -10.620 -9.039 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.859 -8.913 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.660 -8.083 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.503 -7.786 -8.265 1.00 0.00 H new ATOM 908 N ASN A 63 -3.185 -11.265 -5.597 1.00 0.00 N ATOM 909 CA ASN A 63 -2.871 -12.370 -4.698 1.00 0.00 C ATOM 910 C ASN A 63 -1.370 -12.637 -4.667 1.00 0.00 C ATOM 911 O ASN A 63 -0.894 -13.629 -5.219 1.00 0.00 O ATOM 912 CB ASN A 63 -3.617 -13.634 -5.131 1.00 0.00 C ATOM 913 CG ASN A 63 -3.067 -14.217 -6.419 1.00 0.00 C ATOM 914 OD1 ASN A 63 -3.098 -13.573 -7.468 1.00 0.00 O ATOM 915 ND2 ASN A 63 -2.561 -15.442 -6.344 1.00 0.00 N ATOM 0 H ASN A 63 -2.738 -11.326 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.193 -12.092 -3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.551 -14.381 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.674 -13.402 -5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.177 -15.887 -7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.556 -15.938 -5.453 1.00 0.00 H new ATOM 922 N SER A 64 -0.629 -11.745 -4.018 1.00 0.00 N ATOM 923 CA SER A 64 0.820 -11.883 -3.917 1.00 0.00 C ATOM 924 C SER A 64 1.312 -11.449 -2.540 1.00 0.00 C ATOM 925 O SER A 64 0.827 -10.469 -1.975 1.00 0.00 O ATOM 926 CB SER A 64 1.508 -11.052 -5.002 1.00 0.00 C ATOM 927 OG SER A 64 1.692 -11.811 -6.185 1.00 0.00 O ATOM 0 H SER A 64 -1.007 -10.919 -3.554 1.00 0.00 H new ATOM 0 HA SER A 64 1.072 -12.934 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.909 -10.168 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.473 -10.700 -4.638 1.00 0.00 H new ATOM 0 HG SER A 64 2.381 -12.491 -6.033 1.00 0.00 H new ATOM 933 N SER A 65 2.280 -12.187 -2.005 1.00 0.00 N ATOM 934 CA SER A 65 2.837 -11.883 -0.692 1.00 0.00 C ATOM 935 C SER A 65 3.497 -10.508 -0.688 1.00 0.00 C ATOM 936 O SER A 65 3.893 -9.993 -1.734 1.00 0.00 O ATOM 937 CB SER A 65 3.854 -12.951 -0.286 1.00 0.00 C ATOM 938 OG SER A 65 3.260 -14.237 -0.260 1.00 0.00 O ATOM 0 H SER A 65 2.695 -13.000 -2.461 1.00 0.00 H new ATOM 0 HA SER A 65 2.020 -11.877 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.689 -12.947 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.261 -12.715 0.697 1.00 0.00 H new ATOM 0 HG SER A 65 3.931 -14.902 0.001 1.00 0.00 H new ATOM 944 N HIS A 66 3.613 -9.917 0.497 1.00 0.00 N ATOM 945 CA HIS A 66 4.225 -8.602 0.640 1.00 0.00 C ATOM 946 C HIS A 66 5.549 -8.534 -0.117 1.00 0.00 C ATOM 947 O HIS A 66 5.723 -7.705 -1.011 1.00 0.00 O ATOM 948 CB HIS A 66 4.452 -8.278 2.117 1.00 0.00 C ATOM 949 CG HIS A 66 5.125 -6.960 2.345 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.640 -6.579 3.566 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.366 -5.931 1.499 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.168 -5.373 3.462 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.016 -4.957 2.217 1.00 0.00 N ATOM 0 H HIS A 66 3.291 -10.329 1.373 1.00 0.00 H new ATOM 0 HA HIS A 66 3.544 -7.864 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.492 -8.280 2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.056 -9.067 2.565 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.617 -7.141 4.417 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.097 -5.885 0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.643 -4.821 4.259 1.00 0.00 H new ATOM 962 N LEU A 67 6.478 -9.410 0.247 1.00 0.00 N ATOM 963 CA LEU A 67 7.787 -9.450 -0.396 1.00 0.00 C ATOM 964 C LEU A 67 7.660 -9.231 -1.901 1.00 0.00 C ATOM 965 O LEU A 67 8.259 -8.309 -2.455 1.00 0.00 O ATOM 966 CB LEU A 67 8.472 -10.789 -0.121 1.00 0.00 C ATOM 967 CG LEU A 67 8.913 -11.033 1.323 1.00 0.00 C ATOM 968 CD1 LEU A 67 9.063 -12.523 1.591 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.216 -10.303 1.614 1.00 0.00 C ATOM 0 H LEU A 67 6.350 -10.103 0.984 1.00 0.00 H new ATOM 0 HA LEU A 67 8.394 -8.646 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.791 -11.589 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.348 -10.865 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 67 8.144 -10.641 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.377 -12.677 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.108 -13.021 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.812 -12.940 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.514 -10.488 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.994 -10.664 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.075 -9.233 1.464 1.00 0.00 H new ATOM 981 N GLU A 68 6.876 -10.082 -2.554 1.00 0.00 N ATOM 982 CA GLU A 68 6.670 -9.979 -3.994 1.00 0.00 C ATOM 983 C GLU A 68 6.378 -8.538 -4.400 1.00 0.00 C ATOM 984 O GLU A 68 6.825 -8.074 -5.449 1.00 0.00 O ATOM 985 CB GLU A 68 5.520 -10.888 -4.433 1.00 0.00 C ATOM 986 CG GLU A 68 5.898 -12.358 -4.502 1.00 0.00 C ATOM 987 CD GLU A 68 4.774 -13.225 -5.034 1.00 0.00 C ATOM 988 OE1 GLU A 68 3.659 -13.159 -4.474 1.00 0.00 O ATOM 989 OE2 GLU A 68 5.008 -13.970 -6.008 1.00 0.00 O ATOM 0 H GLU A 68 6.373 -10.850 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 68 7.586 -10.299 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.688 -10.768 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.167 -10.566 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.774 -12.474 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.179 -12.704 -3.507 1.00 0.00 H new ATOM 996 N VAL A 69 5.623 -7.834 -3.562 1.00 0.00 N ATOM 997 CA VAL A 69 5.271 -6.446 -3.832 1.00 0.00 C ATOM 998 C VAL A 69 6.428 -5.510 -3.502 1.00 0.00 C ATOM 999 O VAL A 69 6.640 -4.504 -4.178 1.00 0.00 O ATOM 1000 CB VAL A 69 4.031 -6.014 -3.027 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.630 -4.591 -3.384 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.878 -6.978 -3.268 1.00 0.00 C ATOM 0 H VAL A 69 5.244 -8.203 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 69 5.046 -6.379 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 69 4.281 -6.039 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.752 -4.304 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.453 -3.913 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.398 -4.534 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.010 -6.658 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.627 -6.987 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.171 -7.981 -2.956 1.00 0.00 H new ATOM 1012 N VAL A 70 7.176 -5.850 -2.456 1.00 0.00 N ATOM 1013 CA VAL A 70 8.315 -5.041 -2.036 1.00 0.00 C ATOM 1014 C VAL A 70 9.347 -4.924 -3.151 1.00 0.00 C ATOM 1015 O VAL A 70 9.814 -3.830 -3.469 1.00 0.00 O ATOM 1016 CB VAL A 70 8.991 -5.632 -0.785 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.203 -4.802 -0.391 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.999 -5.721 0.365 1.00 0.00 C ATOM 0 H VAL A 70 7.014 -6.679 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 70 7.929 -4.050 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 70 9.332 -6.641 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.668 -5.235 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.921 -4.795 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.890 -3.781 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.494 -6.141 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.626 -4.725 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.165 -6.362 0.078 1.00 0.00 H new ATOM 1028 N LYS A 71 9.701 -6.060 -3.744 1.00 0.00 N ATOM 1029 CA LYS A 71 10.678 -6.086 -4.826 1.00 0.00 C ATOM 1030 C LYS A 71 10.199 -5.255 -6.012 1.00 0.00 C ATOM 1031 O LYS A 71 10.985 -4.551 -6.648 1.00 0.00 O ATOM 1032 CB LYS A 71 10.936 -7.527 -5.272 1.00 0.00 C ATOM 1033 CG LYS A 71 9.678 -8.272 -5.684 1.00 0.00 C ATOM 1034 CD LYS A 71 9.990 -9.691 -6.127 1.00 0.00 C ATOM 1035 CE LYS A 71 10.380 -9.744 -7.596 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.149 -10.977 -7.922 1.00 0.00 N ATOM 0 H LYS A 71 9.326 -6.975 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 71 11.607 -5.654 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.634 -7.520 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.419 -8.069 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.978 -8.296 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.186 -7.736 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.801 -10.093 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.120 -10.326 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.482 -9.703 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.977 -8.867 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.396 -10.975 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.019 -11.004 -7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.570 -11.814 -7.709 1.00 0.00 H new ATOM 1050 N LEU A 72 8.906 -5.338 -6.304 1.00 0.00 N ATOM 1051 CA LEU A 72 8.321 -4.592 -7.413 1.00 0.00 C ATOM 1052 C LEU A 72 8.431 -3.089 -7.175 1.00 0.00 C ATOM 1053 O LEU A 72 8.671 -2.320 -8.106 1.00 0.00 O ATOM 1054 CB LEU A 72 6.855 -4.984 -7.601 1.00 0.00 C ATOM 1055 CG LEU A 72 6.603 -6.338 -8.266 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.188 -6.817 -7.981 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.845 -6.248 -9.766 1.00 0.00 C ATOM 0 H LEU A 72 8.242 -5.915 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 72 8.875 -4.840 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.372 -4.986 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.367 -4.213 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 72 7.301 -7.063 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.027 -7.782 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.049 -6.920 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.473 -6.093 -8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.661 -7.220 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.171 -5.510 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.877 -5.950 -9.951 1.00 0.00 H new ATOM 1069 N ILE A 73 8.256 -2.679 -5.923 1.00 0.00 N ATOM 1070 CA ILE A 73 8.339 -1.269 -5.563 1.00 0.00 C ATOM 1071 C ILE A 73 9.777 -0.765 -5.641 1.00 0.00 C ATOM 1072 O ILE A 73 10.054 0.261 -6.262 1.00 0.00 O ATOM 1073 CB ILE A 73 7.794 -1.017 -4.145 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.329 -1.447 -4.054 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.946 0.450 -3.772 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.878 -1.765 -2.646 1.00 0.00 C ATOM 0 H ILE A 73 8.056 -3.303 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 73 7.726 -0.723 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 73 8.372 -1.613 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.700 -0.653 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.177 -2.325 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.556 0.612 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.000 0.726 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.391 1.065 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.829 -2.062 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.482 -2.580 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.998 -0.882 -2.018 1.00 0.00 H new ATOM 1088 N LYS A 74 10.688 -1.495 -5.006 1.00 0.00 N ATOM 1089 CA LYS A 74 12.099 -1.126 -5.005 1.00 0.00 C ATOM 1090 C LYS A 74 12.574 -0.787 -6.414 1.00 0.00 C ATOM 1091 O LYS A 74 13.180 0.261 -6.640 1.00 0.00 O ATOM 1092 CB LYS A 74 12.944 -2.264 -4.430 1.00 0.00 C ATOM 1093 CG LYS A 74 12.716 -2.502 -2.947 1.00 0.00 C ATOM 1094 CD LYS A 74 13.899 -3.210 -2.308 1.00 0.00 C ATOM 1095 CE LYS A 74 13.961 -4.674 -2.718 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.759 -4.868 -3.961 1.00 0.00 N ATOM 0 H LYS A 74 10.474 -2.346 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 74 12.217 -0.242 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.722 -3.181 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.998 -2.042 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.547 -1.549 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.815 -3.099 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.823 -2.710 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.825 -3.138 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.399 -5.259 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.950 -5.051 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.179 -5.356 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.055 -3.942 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.600 -5.441 -3.748 1.00 0.00 H new ATOM 1110 N SER A 75 12.294 -1.679 -7.359 1.00 0.00 N ATOM 1111 CA SER A 75 12.695 -1.475 -8.746 1.00 0.00 C ATOM 1112 C SER A 75 12.133 -0.164 -9.287 1.00 0.00 C ATOM 1113 O SER A 75 10.924 0.063 -9.264 1.00 0.00 O ATOM 1114 CB SER A 75 12.221 -2.643 -9.613 1.00 0.00 C ATOM 1115 OG SER A 75 12.442 -2.380 -10.988 1.00 0.00 O ATOM 0 H SER A 75 11.791 -2.550 -7.189 1.00 0.00 H new ATOM 0 HA SER A 75 13.783 -1.425 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.749 -3.552 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.160 -2.822 -9.440 1.00 0.00 H new ATOM 0 HG SER A 75 12.132 -3.142 -11.521 1.00 0.00 H new ATOM 1121 N GLY A 76 13.021 0.698 -9.774 1.00 0.00 N ATOM 1122 CA GLY A 76 12.596 1.976 -10.314 1.00 0.00 C ATOM 1123 C GLY A 76 12.541 3.062 -9.258 1.00 0.00 C ATOM 1124 O GLY A 76 12.355 2.778 -8.075 1.00 0.00 O ATOM 0 H GLY A 76 14.027 0.534 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.281 2.278 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.612 1.866 -10.769 1.00 0.00 H new ATOM 1128 N ALA A 77 12.706 4.309 -9.686 1.00 0.00 N ATOM 1129 CA ALA A 77 12.674 5.442 -8.768 1.00 0.00 C ATOM 1130 C ALA A 77 11.326 5.540 -8.064 1.00 0.00 C ATOM 1131 O ALA A 77 11.261 5.724 -6.848 1.00 0.00 O ATOM 1132 CB ALA A 77 12.978 6.733 -9.513 1.00 0.00 C ATOM 0 H ALA A 77 12.863 4.561 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 77 13.440 5.285 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.951 7.570 -8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.968 6.668 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.233 6.887 -10.294 1.00 0.00 H new ATOM 1138 N TYR A 78 10.251 5.417 -8.835 1.00 0.00 N ATOM 1139 CA TYR A 78 8.903 5.496 -8.285 1.00 0.00 C ATOM 1140 C TYR A 78 8.149 4.187 -8.503 1.00 0.00 C ATOM 1141 O TYR A 78 8.703 3.215 -9.016 1.00 0.00 O ATOM 1142 CB TYR A 78 8.134 6.653 -8.925 1.00 0.00 C ATOM 1143 CG TYR A 78 8.342 6.765 -10.418 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.721 5.883 -11.294 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.160 7.752 -10.953 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.908 5.981 -12.659 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.352 7.859 -12.317 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.724 6.971 -13.166 1.00 0.00 C ATOM 1149 OH TYR A 78 8.914 7.073 -14.525 1.00 0.00 O ATOM 0 H TYR A 78 10.287 5.262 -9.843 1.00 0.00 H new ATOM 0 HA TYR A 78 8.986 5.674 -7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.070 6.527 -8.723 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.440 7.587 -8.453 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.081 5.107 -10.901 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.654 8.448 -10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.418 5.287 -13.326 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.990 8.633 -12.716 1.00 0.00 H new ATOM 0 HH TYR A 78 9.515 7.823 -14.716 1.00 0.00 H new ATOM 1159 N VAL A 79 6.879 4.171 -8.109 1.00 0.00 N ATOM 1160 CA VAL A 79 6.046 2.984 -8.262 1.00 0.00 C ATOM 1161 C VAL A 79 4.569 3.355 -8.332 1.00 0.00 C ATOM 1162 O VAL A 79 4.079 4.149 -7.530 1.00 0.00 O ATOM 1163 CB VAL A 79 6.261 1.994 -7.102 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.060 2.688 -5.764 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.327 0.802 -7.240 1.00 0.00 C ATOM 0 H VAL A 79 6.405 4.967 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 79 6.343 2.507 -9.196 1.00 0.00 H new ATOM 0 HB VAL A 79 7.287 1.629 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.216 1.973 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.774 3.506 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.046 3.083 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.492 0.112 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.293 1.146 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.525 0.292 -8.182 1.00 0.00 H new ATOM 1175 N ALA A 80 3.864 2.773 -9.297 1.00 0.00 N ATOM 1176 CA ALA A 80 2.441 3.040 -9.470 1.00 0.00 C ATOM 1177 C ALA A 80 1.595 2.020 -8.716 1.00 0.00 C ATOM 1178 O ALA A 80 1.771 0.812 -8.878 1.00 0.00 O ATOM 1179 CB ALA A 80 2.080 3.039 -10.948 1.00 0.00 C ATOM 0 H ALA A 80 4.255 2.114 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 80 2.229 4.026 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.015 3.240 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.652 3.811 -11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.314 2.066 -11.379 1.00 0.00 H new ATOM 1185 N LEU A 81 0.678 2.513 -7.891 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.195 1.644 -7.110 1.00 0.00 C ATOM 1187 C LEU A 81 -1.662 1.994 -7.344 1.00 0.00 C ATOM 1188 O LEU A 81 -2.032 3.167 -7.388 1.00 0.00 O ATOM 1189 CB LEU A 81 0.137 1.758 -5.622 1.00 0.00 C ATOM 1190 CG LEU A 81 1.619 1.666 -5.256 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.895 2.405 -3.956 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.053 0.212 -5.147 1.00 0.00 C ATOM 0 H LEU A 81 0.520 3.510 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.029 0.617 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.249 2.710 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.398 0.971 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 81 2.199 2.139 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.955 2.328 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.624 3.455 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.305 1.962 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.110 0.166 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.467 -0.286 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.893 -0.288 -6.102 1.00 0.00 H new ATOM 1204 N THR A 82 -2.494 0.967 -7.491 1.00 0.00 N ATOM 1205 CA THR A 82 -3.919 1.166 -7.719 1.00 0.00 C ATOM 1206 C THR A 82 -4.711 0.994 -6.428 1.00 0.00 C ATOM 1207 O THR A 82 -4.886 -0.123 -5.939 1.00 0.00 O ATOM 1208 CB THR A 82 -4.462 0.184 -8.775 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.619 0.196 -9.933 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.884 0.548 -9.172 1.00 0.00 C ATOM 0 H THR A 82 -2.205 -0.010 -7.456 1.00 0.00 H new ATOM 0 HA THR A 82 -4.041 2.186 -8.085 1.00 0.00 H new ATOM 0 HB THR A 82 -4.469 -0.816 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.112 -0.163 -10.700 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.246 -0.159 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.528 0.510 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.899 1.555 -9.589 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.189 2.106 -5.880 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.965 2.078 -4.645 1.00 0.00 C ATOM 1220 C LEU A 83 -7.459 2.158 -4.938 1.00 0.00 C ATOM 1221 O LEU A 83 -7.894 2.924 -5.799 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.550 3.234 -3.733 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.081 3.652 -3.806 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.875 4.999 -3.130 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.193 2.593 -3.170 1.00 0.00 C ATOM 0 H LEU A 83 -5.053 3.038 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.763 1.134 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.166 4.100 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.778 2.958 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.802 3.749 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.824 5.280 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.482 5.754 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.171 4.930 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.151 2.907 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.472 2.464 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.318 1.648 -3.698 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.242 1.363 -4.216 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.689 1.345 -4.397 1.00 0.00 C ATOM 1239 C LEU A 84 -10.406 1.640 -3.083 1.00 0.00 C ATOM 1240 O LEU A 84 -10.000 1.167 -2.023 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.138 -0.013 -4.942 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.504 -0.042 -5.628 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.549 -1.138 -6.681 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.612 -0.239 -4.603 1.00 0.00 C ATOM 0 H LEU A 84 -7.899 0.723 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.950 2.123 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.389 -0.362 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.152 -0.726 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.661 0.916 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.529 -1.144 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.780 -0.953 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.370 -2.104 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.577 -0.257 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.459 -1.183 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.594 0.581 -3.886 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.476 2.426 -3.162 1.00 0.00 N ATOM 1257 CA GLY A 85 -12.233 2.769 -1.973 1.00 0.00 C ATOM 1258 C GLY A 85 -11.987 4.195 -1.521 1.00 0.00 C ATOM 1259 O GLY A 85 -10.851 4.578 -1.245 1.00 0.00 O ATOM 0 H GLY A 85 -11.831 2.831 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.296 2.632 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.968 2.085 -1.167 1.00 0.00 H new ATOM 1263 N SER A 86 -13.055 4.983 -1.446 1.00 0.00 N ATOM 1264 CA SER A 86 -12.949 6.377 -1.030 1.00 0.00 C ATOM 1265 C SER A 86 -12.731 6.478 0.477 1.00 0.00 C ATOM 1266 O SER A 86 -12.846 5.488 1.200 1.00 0.00 O ATOM 1267 CB SER A 86 -14.210 7.147 -1.427 1.00 0.00 C ATOM 1268 OG SER A 86 -15.306 6.790 -0.603 1.00 0.00 O ATOM 0 H SER A 86 -14.003 4.680 -1.668 1.00 0.00 H new ATOM 0 HA SER A 86 -12.089 6.817 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.026 8.218 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.453 6.941 -2.470 1.00 0.00 H new ATOM 0 HG SER A 86 -16.099 7.297 -0.876 1.00 0.00 H new ATOM 1274 N SER A 87 -12.414 7.682 0.943 1.00 0.00 N ATOM 1275 CA SER A 87 -12.176 7.914 2.363 1.00 0.00 C ATOM 1276 C SER A 87 -12.967 9.121 2.856 1.00 0.00 C ATOM 1277 O SER A 87 -13.817 9.002 3.739 1.00 0.00 O ATOM 1278 CB SER A 87 -10.683 8.127 2.622 1.00 0.00 C ATOM 1279 OG SER A 87 -10.392 8.058 4.007 1.00 0.00 O ATOM 0 H SER A 87 -12.316 8.512 0.358 1.00 0.00 H new ATOM 0 HA SER A 87 -12.511 7.034 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.106 7.372 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.377 9.097 2.231 1.00 0.00 H new ATOM 0 HG SER A 87 -9.432 8.195 4.147 1.00 0.00 H new ATOM 1285 N SER A 88 -12.681 10.284 2.280 1.00 0.00 N ATOM 1286 CA SER A 88 -13.362 11.515 2.664 1.00 0.00 C ATOM 1287 C SER A 88 -14.876 11.327 2.645 1.00 0.00 C ATOM 1288 O SER A 88 -15.498 11.316 1.584 1.00 0.00 O ATOM 1289 CB SER A 88 -12.966 12.656 1.723 1.00 0.00 C ATOM 1290 OG SER A 88 -13.756 13.808 1.960 1.00 0.00 O ATOM 0 H SER A 88 -11.982 10.400 1.546 1.00 0.00 H new ATOM 0 HA SER A 88 -13.058 11.768 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.913 12.898 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.085 12.336 0.688 1.00 0.00 H new ATOM 0 HG SER A 88 -13.483 14.523 1.348 1.00 0.00 H new ATOM 1296 N GLY A 89 -15.462 11.180 3.829 1.00 0.00 N ATOM 1297 CA GLY A 89 -16.898 10.993 3.928 1.00 0.00 C ATOM 1298 C GLY A 89 -17.439 11.367 5.293 1.00 0.00 C ATOM 1299 O GLY A 89 -17.765 12.524 5.560 1.00 0.00 O ATOM 0 H GLY A 89 -14.968 11.187 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -17.393 11.596 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.141 9.952 3.717 1.00 0.00 H new ATOM 1303 N PRO A 90 -17.541 10.372 6.187 1.00 0.00 N ATOM 1304 CA PRO A 90 -18.047 10.578 7.547 1.00 0.00 C ATOM 1305 C PRO A 90 -17.081 11.383 8.409 1.00 0.00 C ATOM 1306 O PRO A 90 -16.148 10.833 8.994 1.00 0.00 O ATOM 1307 CB PRO A 90 -18.189 9.154 8.092 1.00 0.00 C ATOM 1308 CG PRO A 90 -17.212 8.349 7.307 1.00 0.00 C ATOM 1309 CD PRO A 90 -17.169 8.969 5.937 1.00 0.00 C ATOM 0 HA PRO A 90 -18.977 11.147 7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.968 9.114 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.205 8.780 7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.227 8.367 7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.521 7.305 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.178 8.889 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.866 8.484 5.254 1.00 0.00 H new ATOM 1317 N SER A 91 -17.311 12.691 8.483 1.00 0.00 N ATOM 1318 CA SER A 91 -16.458 13.573 9.272 1.00 0.00 C ATOM 1319 C SER A 91 -16.547 13.230 10.756 1.00 0.00 C ATOM 1320 O SER A 91 -17.612 13.331 11.365 1.00 0.00 O ATOM 1321 CB SER A 91 -16.856 15.033 9.049 1.00 0.00 C ATOM 1322 OG SER A 91 -15.766 15.903 9.303 1.00 0.00 O ATOM 0 H SER A 91 -18.080 13.163 8.007 1.00 0.00 H new ATOM 0 HA SER A 91 -15.428 13.430 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.201 15.167 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.690 15.290 9.702 1.00 0.00 H new ATOM 0 HG SER A 91 -16.045 16.830 9.152 1.00 0.00 H new ATOM 1328 N SER A 92 -15.420 12.825 11.332 1.00 0.00 N ATOM 1329 CA SER A 92 -15.370 12.464 12.744 1.00 0.00 C ATOM 1330 C SER A 92 -16.591 11.638 13.137 1.00 0.00 C ATOM 1331 O SER A 92 -17.162 11.825 14.210 1.00 0.00 O ATOM 1332 CB SER A 92 -15.290 13.721 13.611 1.00 0.00 C ATOM 1333 OG SER A 92 -14.910 13.402 14.938 1.00 0.00 O ATOM 0 H SER A 92 -14.529 12.739 10.843 1.00 0.00 H new ATOM 0 HA SER A 92 -14.477 11.861 12.908 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.571 14.418 13.181 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.257 14.224 13.617 1.00 0.00 H new ATOM 0 HG SER A 92 -15.502 12.704 15.289 1.00 0.00 H new ATOM 1339 N GLY A 93 -16.987 10.723 12.257 1.00 0.00 N ATOM 1340 CA GLY A 93 -18.138 9.881 12.529 1.00 0.00 C ATOM 1341 C GLY A 93 -17.822 8.766 13.506 1.00 0.00 C ATOM 1342 O GLY A 93 -18.607 8.484 14.411 1.00 0.00 O ATOM 0 H GLY A 93 -16.532 10.550 11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.946 10.493 12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.498 9.450 11.595 1.00 0.00 H new TER 1346 GLY A 93