USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 102 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= -0.0423 USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= -0.174 USER MOD Set 2.2: A 97 LYS NZ :NH3+ -156:sc= 0.00554 (180deg=0) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -154:sc= 0.22 (180deg=0.00191) USER MOD Set 3.2: A 58 MET CE :methyl 145:sc= -1.15 (180deg=-0.856) USER MOD Set 3.3: A 65 CYS SG : rot 10:sc= -0.822 USER MOD Set 4.1: A 19 HIS : no HE2:sc= -4.45! C(o=-3.8!,f=-6.2!) USER MOD Set 4.2: A 82 TYR OH : rot 16:sc= 0.68 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.787 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 5 SER OG : rot 45:sc= 0.535 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -64:sc= 0.889 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.6!) USER MOD Single : A 54 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00287 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.52) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -165:sc= -2.17 (180deg=-3.16) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.36) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.867 X(o=-0.87,f=-0.57) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.839 -25.181 -7.176 1.00 0.00 N ATOM 2 CA GLY A 1 -19.750 -25.095 -6.165 1.00 0.00 C ATOM 3 C GLY A 1 -19.362 -23.664 -5.849 1.00 0.00 C ATOM 4 O GLY A 1 -19.251 -22.831 -6.748 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.067 -26.180 -7.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.684 -24.692 -6.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.528 -24.731 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.069 -25.592 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.875 -25.633 -6.531 1.00 0.00 H new ATOM 10 N SER A 2 -19.157 -23.378 -4.568 1.00 0.00 N ATOM 11 CA SER A 2 -18.781 -22.037 -4.134 1.00 0.00 C ATOM 12 C SER A 2 -17.436 -22.056 -3.415 1.00 0.00 C ATOM 13 O SER A 2 -17.374 -22.244 -2.200 1.00 0.00 O ATOM 14 CB SER A 2 -19.856 -21.455 -3.215 1.00 0.00 C ATOM 15 OG SER A 2 -20.060 -22.280 -2.082 1.00 0.00 O ATOM 0 H SER A 2 -19.245 -24.057 -3.812 1.00 0.00 H new ATOM 0 HA SER A 2 -18.691 -21.407 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.562 -20.456 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.791 -21.350 -3.765 1.00 0.00 H new ATOM 0 HG SER A 2 -19.193 -22.549 -1.713 1.00 0.00 H new ATOM 21 N SER A 3 -16.362 -21.859 -4.172 1.00 0.00 N ATOM 22 CA SER A 3 -15.019 -21.854 -3.606 1.00 0.00 C ATOM 23 C SER A 3 -14.227 -20.644 -4.095 1.00 0.00 C ATOM 24 O SER A 3 -14.746 -19.810 -4.837 1.00 0.00 O ATOM 25 CB SER A 3 -14.282 -23.142 -3.975 1.00 0.00 C ATOM 26 OG SER A 3 -13.164 -23.351 -3.129 1.00 0.00 O ATOM 0 H SER A 3 -16.396 -21.701 -5.179 1.00 0.00 H new ATOM 0 HA SER A 3 -15.109 -21.793 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.963 -23.989 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.952 -23.091 -5.013 1.00 0.00 H new ATOM 0 HG SER A 3 -12.711 -24.182 -3.385 1.00 0.00 H new ATOM 32 N GLY A 4 -12.971 -20.557 -3.674 1.00 0.00 N ATOM 33 CA GLY A 4 -12.129 -19.447 -4.079 1.00 0.00 C ATOM 34 C GLY A 4 -11.944 -18.425 -2.975 1.00 0.00 C ATOM 35 O GLY A 4 -12.916 -17.876 -2.458 1.00 0.00 O ATOM 0 H GLY A 4 -12.520 -21.235 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.154 -19.827 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.569 -18.961 -4.950 1.00 0.00 H new ATOM 39 N SER A 5 -10.691 -18.171 -2.611 1.00 0.00 N ATOM 40 CA SER A 5 -10.380 -17.209 -1.559 1.00 0.00 C ATOM 41 C SER A 5 -9.057 -16.504 -1.839 1.00 0.00 C ATOM 42 O SER A 5 -7.988 -17.011 -1.500 1.00 0.00 O ATOM 43 CB SER A 5 -10.321 -17.909 -0.199 1.00 0.00 C ATOM 44 OG SER A 5 -9.414 -18.997 -0.225 1.00 0.00 O ATOM 0 H SER A 5 -9.875 -18.618 -3.029 1.00 0.00 H new ATOM 0 HA SER A 5 -11.172 -16.461 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.017 -17.196 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.314 -18.266 0.073 1.00 0.00 H new ATOM 0 HG SER A 5 -8.587 -18.723 -0.673 1.00 0.00 H new ATOM 50 N SER A 6 -9.137 -15.332 -2.462 1.00 0.00 N ATOM 51 CA SER A 6 -7.946 -14.557 -2.788 1.00 0.00 C ATOM 52 C SER A 6 -7.215 -14.122 -1.522 1.00 0.00 C ATOM 53 O SER A 6 -7.688 -13.255 -0.787 1.00 0.00 O ATOM 54 CB SER A 6 -8.322 -13.331 -3.620 1.00 0.00 C ATOM 55 OG SER A 6 -8.250 -13.613 -5.008 1.00 0.00 O ATOM 0 H SER A 6 -10.014 -14.899 -2.751 1.00 0.00 H new ATOM 0 HA SER A 6 -7.279 -15.192 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.331 -13.009 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.653 -12.505 -3.379 1.00 0.00 H new ATOM 0 HG SER A 6 -8.497 -12.813 -5.518 1.00 0.00 H new ATOM 61 N GLY A 7 -6.060 -14.730 -1.273 1.00 0.00 N ATOM 62 CA GLY A 7 -5.282 -14.392 -0.096 1.00 0.00 C ATOM 63 C GLY A 7 -4.696 -12.996 -0.169 1.00 0.00 C ATOM 64 O GLY A 7 -5.207 -12.137 -0.888 1.00 0.00 O ATOM 0 H GLY A 7 -5.649 -15.451 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.914 -14.471 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.475 -15.115 0.023 1.00 0.00 H new ATOM 68 N VAL A 8 -3.620 -12.768 0.577 1.00 0.00 N ATOM 69 CA VAL A 8 -2.963 -11.467 0.593 1.00 0.00 C ATOM 70 C VAL A 8 -1.799 -11.426 -0.391 1.00 0.00 C ATOM 71 O VAL A 8 -1.483 -10.376 -0.951 1.00 0.00 O ATOM 72 CB VAL A 8 -2.443 -11.117 2.000 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.943 -9.681 2.045 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.527 -11.345 3.042 1.00 0.00 C ATOM 0 H VAL A 8 -3.185 -13.468 1.178 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.712 -10.732 0.297 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.605 -11.775 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.580 -9.453 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.132 -9.556 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.759 -9.004 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.141 -11.092 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.387 -10.715 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.831 -12.392 3.028 1.00 0.00 H new ATOM 84 N SER A 9 -1.165 -12.575 -0.597 1.00 0.00 N ATOM 85 CA SER A 9 -0.034 -12.671 -1.515 1.00 0.00 C ATOM 86 C SER A 9 -0.512 -12.748 -2.961 1.00 0.00 C ATOM 87 O SER A 9 0.159 -12.265 -3.873 1.00 0.00 O ATOM 88 CB SER A 9 0.818 -13.897 -1.180 1.00 0.00 C ATOM 89 OG SER A 9 2.144 -13.741 -1.654 1.00 0.00 O ATOM 0 H SER A 9 -1.414 -13.453 -0.141 1.00 0.00 H new ATOM 0 HA SER A 9 0.573 -11.773 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.830 -14.052 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.372 -14.786 -1.625 1.00 0.00 H new ATOM 0 HG SER A 9 2.669 -14.537 -1.426 1.00 0.00 H new ATOM 95 N GLN A 10 -1.675 -13.357 -3.163 1.00 0.00 N ATOM 96 CA GLN A 10 -2.243 -13.498 -4.499 1.00 0.00 C ATOM 97 C GLN A 10 -2.590 -12.135 -5.089 1.00 0.00 C ATOM 98 O GLN A 10 -2.466 -11.918 -6.293 1.00 0.00 O ATOM 99 CB GLN A 10 -3.490 -14.384 -4.455 1.00 0.00 C ATOM 100 CG GLN A 10 -3.262 -15.783 -5.002 1.00 0.00 C ATOM 101 CD GLN A 10 -4.489 -16.347 -5.690 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.426 -16.783 -6.840 1.00 0.00 O ATOM 103 NE2 GLN A 10 -5.616 -16.342 -4.988 1.00 0.00 N ATOM 0 H GLN A 10 -2.243 -13.761 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.496 -13.969 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.837 -14.458 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.286 -13.905 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.432 -15.762 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.971 -16.445 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.623 -15.971 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.474 -16.709 -5.399 1.00 0.00 H new ATOM 112 N ARG A 11 -3.026 -11.219 -4.230 1.00 0.00 N ATOM 113 CA ARG A 11 -3.392 -9.875 -4.666 1.00 0.00 C ATOM 114 C ARG A 11 -2.182 -9.140 -5.238 1.00 0.00 C ATOM 115 O ARG A 11 -1.045 -9.403 -4.848 1.00 0.00 O ATOM 116 CB ARG A 11 -3.982 -9.081 -3.499 1.00 0.00 C ATOM 117 CG ARG A 11 -5.284 -9.659 -2.967 1.00 0.00 C ATOM 118 CD ARG A 11 -6.328 -9.782 -4.065 1.00 0.00 C ATOM 119 NE ARG A 11 -6.522 -8.522 -4.779 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.313 -8.386 -5.841 1.00 0.00 C ATOM 121 NH1 ARG A 11 -7.985 -9.428 -6.315 1.00 0.00 N ATOM 122 NH2 ARG A 11 -7.432 -7.204 -6.431 1.00 0.00 N ATOM 0 H ARG A 11 -3.135 -11.382 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.143 -9.966 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.253 -9.044 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.154 -8.054 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.096 -10.640 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.667 -9.023 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.023 -10.555 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.275 -10.102 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.022 -7.698 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.897 -10.339 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.590 -9.317 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.918 -6.400 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.038 -7.099 -7.245 1.00 0.00 H new ATOM 136 N PRO A 12 -2.414 -8.205 -6.174 1.00 0.00 N ATOM 137 CA PRO A 12 -1.338 -7.429 -6.801 1.00 0.00 C ATOM 138 C PRO A 12 -0.409 -6.791 -5.774 1.00 0.00 C ATOM 139 O PRO A 12 -0.641 -6.885 -4.568 1.00 0.00 O ATOM 140 CB PRO A 12 -2.087 -6.352 -7.587 1.00 0.00 C ATOM 141 CG PRO A 12 -3.417 -6.955 -7.877 1.00 0.00 C ATOM 142 CD PRO A 12 -3.742 -7.828 -6.697 1.00 0.00 C ATOM 0 HA PRO A 12 -0.692 -8.054 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.186 -5.434 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.560 -6.093 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.175 -6.183 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.389 -7.538 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.330 -7.293 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.321 -8.703 -6.992 1.00 0.00 H new ATOM 150 N PHE A 13 0.644 -6.140 -6.259 1.00 0.00 N ATOM 151 CA PHE A 13 1.607 -5.486 -5.382 1.00 0.00 C ATOM 152 C PHE A 13 1.136 -4.085 -5.004 1.00 0.00 C ATOM 153 O PHE A 13 1.360 -3.625 -3.885 1.00 0.00 O ATOM 154 CB PHE A 13 2.976 -5.410 -6.061 1.00 0.00 C ATOM 155 CG PHE A 13 4.040 -4.790 -5.200 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.416 -5.386 -4.007 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.663 -3.614 -5.585 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.396 -4.820 -3.213 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.643 -3.044 -4.795 1.00 0.00 C ATOM 160 CZ PHE A 13 6.010 -3.647 -3.608 1.00 0.00 C ATOM 0 H PHE A 13 0.851 -6.052 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 13 1.692 -6.079 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.289 -6.415 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.884 -4.834 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.938 -6.303 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.380 -3.138 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.681 -5.294 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.122 -2.127 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.776 -3.202 -2.990 1.00 0.00 H new ATOM 170 N ARG A 14 0.481 -3.413 -5.945 1.00 0.00 N ATOM 171 CA ARG A 14 -0.022 -2.064 -5.711 1.00 0.00 C ATOM 172 C ARG A 14 -1.145 -2.074 -4.678 1.00 0.00 C ATOM 173 O ARG A 14 -1.312 -1.119 -3.920 1.00 0.00 O ATOM 174 CB ARG A 14 -0.522 -1.451 -7.020 1.00 0.00 C ATOM 175 CG ARG A 14 -0.223 0.035 -7.148 1.00 0.00 C ATOM 176 CD ARG A 14 0.176 0.404 -8.568 1.00 0.00 C ATOM 177 NE ARG A 14 -0.369 1.697 -8.972 1.00 0.00 N ATOM 178 CZ ARG A 14 -0.008 2.341 -10.079 1.00 0.00 C ATOM 179 NH1 ARG A 14 0.896 1.814 -10.897 1.00 0.00 N ATOM 180 NH2 ARG A 14 -0.553 3.514 -10.371 1.00 0.00 N ATOM 0 H ARG A 14 0.286 -3.780 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 14 0.797 -1.458 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.065 -1.979 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.598 -1.605 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.101 0.610 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.579 0.306 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.263 0.429 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.174 -0.367 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.068 2.132 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.317 0.911 -10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.169 2.312 -11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.249 3.923 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.276 4.008 -11.220 1.00 0.00 H new ATOM 194 N ASP A 15 -1.910 -3.161 -4.654 1.00 0.00 N ATOM 195 CA ASP A 15 -3.017 -3.296 -3.713 1.00 0.00 C ATOM 196 C ASP A 15 -2.500 -3.558 -2.302 1.00 0.00 C ATOM 197 O ASP A 15 -3.074 -3.080 -1.322 1.00 0.00 O ATOM 198 CB ASP A 15 -3.948 -4.428 -4.149 1.00 0.00 C ATOM 199 CG ASP A 15 -5.131 -3.927 -4.953 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.813 -2.990 -4.485 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.377 -4.470 -6.050 1.00 0.00 O ATOM 0 H ASP A 15 -1.784 -3.961 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.575 -2.360 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.386 -5.148 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.310 -4.957 -3.267 1.00 0.00 H new ATOM 206 N ARG A 16 -1.416 -4.320 -2.205 1.00 0.00 N ATOM 207 CA ARG A 16 -0.823 -4.646 -0.914 1.00 0.00 C ATOM 208 C ARG A 16 -0.369 -3.382 -0.189 1.00 0.00 C ATOM 209 O ARG A 16 -0.668 -3.189 0.989 1.00 0.00 O ATOM 210 CB ARG A 16 0.361 -5.597 -1.099 1.00 0.00 C ATOM 211 CG ARG A 16 -0.024 -7.066 -1.034 1.00 0.00 C ATOM 212 CD ARG A 16 0.661 -7.872 -2.127 1.00 0.00 C ATOM 213 NE ARG A 16 1.900 -8.488 -1.660 1.00 0.00 N ATOM 214 CZ ARG A 16 2.760 -9.119 -2.454 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.521 -9.218 -3.756 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.864 -9.651 -1.947 1.00 0.00 N ATOM 0 H ARG A 16 -0.930 -4.724 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.583 -5.138 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.832 -5.395 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.106 -5.391 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.246 -7.471 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.105 -7.164 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.017 -8.647 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.877 -7.222 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 16 2.119 -8.431 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.675 -8.809 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.184 -9.703 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.054 -9.576 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.523 -10.135 -2.556 1.00 0.00 H new ATOM 230 N VAL A 17 0.355 -2.526 -0.902 1.00 0.00 N ATOM 231 CA VAL A 17 0.850 -1.281 -0.327 1.00 0.00 C ATOM 232 C VAL A 17 -0.270 -0.256 -0.188 1.00 0.00 C ATOM 233 O VAL A 17 -0.364 0.443 0.820 1.00 0.00 O ATOM 234 CB VAL A 17 1.980 -0.677 -1.182 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.617 0.507 -0.469 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.023 -1.734 -1.512 1.00 0.00 C ATOM 0 H VAL A 17 0.612 -2.672 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 17 1.242 -1.523 0.661 1.00 0.00 H new ATOM 0 HB VAL A 17 1.550 -0.319 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.413 0.920 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.862 1.273 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.033 0.178 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.813 -1.289 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.449 -2.125 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.555 -2.546 -2.068 1.00 0.00 H new ATOM 246 N LEU A 18 -1.118 -0.172 -1.208 1.00 0.00 N ATOM 247 CA LEU A 18 -2.233 0.768 -1.200 1.00 0.00 C ATOM 248 C LEU A 18 -3.160 0.504 -0.017 1.00 0.00 C ATOM 249 O LEU A 18 -3.776 1.426 0.519 1.00 0.00 O ATOM 250 CB LEU A 18 -3.019 0.671 -2.510 1.00 0.00 C ATOM 251 CG LEU A 18 -4.248 1.578 -2.596 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.843 3.039 -2.476 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.998 1.336 -3.897 1.00 0.00 C ATOM 0 H LEU A 18 -1.054 -0.743 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.826 1.774 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.350 0.912 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.338 -0.362 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.912 1.338 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.730 3.669 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.350 3.202 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.158 3.294 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.869 1.989 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.341 1.549 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.322 0.296 -3.942 1.00 0.00 H new ATOM 265 N HIS A 19 -3.253 -0.758 0.385 1.00 0.00 N ATOM 266 CA HIS A 19 -4.104 -1.143 1.505 1.00 0.00 C ATOM 267 C HIS A 19 -3.426 -0.834 2.836 1.00 0.00 C ATOM 268 O HIS A 19 -4.090 -0.530 3.827 1.00 0.00 O ATOM 269 CB HIS A 19 -4.442 -2.633 1.426 1.00 0.00 C ATOM 270 CG HIS A 19 -5.682 -2.924 0.640 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.695 -3.143 -0.721 1.00 0.00 N ATOM 272 CD2 HIS A 19 -6.972 -3.035 1.048 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.963 -3.373 -1.088 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.777 -3.319 -0.051 1.00 0.00 N ATOM 0 H HIS A 19 -2.750 -1.532 -0.048 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.025 -0.564 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.603 -3.164 0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.562 -3.024 2.436 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.884 -3.132 -1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.319 -2.921 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.278 -3.576 -2.101 1.00 0.00 H new ATOM 282 N LEU A 20 -2.100 -0.913 2.851 1.00 0.00 N ATOM 283 CA LEU A 20 -1.331 -0.642 4.060 1.00 0.00 C ATOM 284 C LEU A 20 -1.389 0.838 4.421 1.00 0.00 C ATOM 285 O LEU A 20 -1.749 1.200 5.541 1.00 0.00 O ATOM 286 CB LEU A 20 0.124 -1.079 3.872 1.00 0.00 C ATOM 287 CG LEU A 20 0.468 -2.452 4.455 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.360 -3.232 3.501 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.140 -2.300 5.813 1.00 0.00 C ATOM 0 H LEU A 20 -1.535 -1.163 2.039 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.771 -1.213 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.350 -1.087 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.774 -0.333 4.330 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.458 -3.010 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.593 -4.205 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.843 -3.372 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.284 -2.679 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.378 -3.285 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.058 -1.722 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.466 -1.784 6.497 1.00 0.00 H new ATOM 301 N LEU A 21 -1.034 1.690 3.465 1.00 0.00 N ATOM 302 CA LEU A 21 -1.045 3.132 3.683 1.00 0.00 C ATOM 303 C LEU A 21 -2.459 3.630 3.974 1.00 0.00 C ATOM 304 O LEU A 21 -2.643 4.639 4.655 1.00 0.00 O ATOM 305 CB LEU A 21 -0.479 3.858 2.460 1.00 0.00 C ATOM 306 CG LEU A 21 0.837 3.292 1.924 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.352 4.138 0.771 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.875 3.213 3.034 1.00 0.00 C ATOM 0 H LEU A 21 -0.735 1.407 2.532 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.418 3.347 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.222 3.828 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.328 4.907 2.716 1.00 0.00 H new ATOM 0 HG LEU A 21 0.652 2.284 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.289 3.720 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.616 4.143 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.521 5.158 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.805 2.808 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.056 4.210 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.509 2.564 3.829 1.00 0.00 H new ATOM 320 N ALA A 22 -3.454 2.917 3.456 1.00 0.00 N ATOM 321 CA ALA A 22 -4.849 3.287 3.662 1.00 0.00 C ATOM 322 C ALA A 22 -5.185 3.367 5.148 1.00 0.00 C ATOM 323 O ALA A 22 -5.962 4.222 5.573 1.00 0.00 O ATOM 324 CB ALA A 22 -5.768 2.294 2.965 1.00 0.00 C ATOM 0 H ALA A 22 -3.320 2.079 2.890 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.003 4.275 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.806 2.583 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.556 2.290 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.601 1.297 3.372 1.00 0.00 H new ATOM 330 N LEU A 23 -4.594 2.472 5.932 1.00 0.00 N ATOM 331 CA LEU A 23 -4.830 2.442 7.371 1.00 0.00 C ATOM 332 C LEU A 23 -4.104 3.591 8.065 1.00 0.00 C ATOM 333 O LEU A 23 -4.727 4.558 8.500 1.00 0.00 O ATOM 334 CB LEU A 23 -4.371 1.105 7.956 1.00 0.00 C ATOM 335 CG LEU A 23 -5.386 -0.033 7.843 1.00 0.00 C ATOM 336 CD1 LEU A 23 -4.816 -1.316 8.428 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.686 0.341 8.538 1.00 0.00 C ATOM 0 H LEU A 23 -3.948 1.758 5.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.900 2.557 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.452 0.803 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.127 1.251 9.008 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.598 -0.202 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.552 -2.115 8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.912 -1.593 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.575 -1.161 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.396 -0.481 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.491 0.538 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.103 1.234 8.073 1.00 0.00 H new ATOM 349 N ARG A 24 -2.784 3.475 8.165 1.00 0.00 N ATOM 350 CA ARG A 24 -1.974 4.504 8.805 1.00 0.00 C ATOM 351 C ARG A 24 -0.667 4.720 8.044 1.00 0.00 C ATOM 352 O ARG A 24 -0.198 3.829 7.336 1.00 0.00 O ATOM 353 CB ARG A 24 -1.675 4.118 10.255 1.00 0.00 C ATOM 354 CG ARG A 24 -0.838 2.858 10.390 1.00 0.00 C ATOM 355 CD ARG A 24 -0.740 2.406 11.839 1.00 0.00 C ATOM 356 NE ARG A 24 0.358 1.464 12.046 1.00 0.00 N ATOM 357 CZ ARG A 24 1.634 1.827 12.160 1.00 0.00 C ATOM 358 NH1 ARG A 24 1.976 3.107 12.087 1.00 0.00 N ATOM 359 NH2 ARG A 24 2.569 0.906 12.349 1.00 0.00 N ATOM 0 H ARG A 24 -2.253 2.679 7.811 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.539 5.436 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.155 4.943 10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.616 3.977 10.786 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.277 2.062 9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.162 3.040 9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.598 3.275 12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.679 1.940 12.137 1.00 0.00 H new ATOM 0 HE ARG A 24 0.134 0.471 12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.260 3.819 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.955 3.379 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.310 -0.079 12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.547 1.182 12.436 1.00 0.00 H new ATOM 373 N PRO A 25 -0.061 5.912 8.182 1.00 0.00 N ATOM 374 CA PRO A 25 1.197 6.241 7.504 1.00 0.00 C ATOM 375 C PRO A 25 2.275 5.188 7.741 1.00 0.00 C ATOM 376 O PRO A 25 2.604 4.870 8.884 1.00 0.00 O ATOM 377 CB PRO A 25 1.603 7.573 8.136 1.00 0.00 C ATOM 378 CG PRO A 25 0.324 8.180 8.598 1.00 0.00 C ATOM 379 CD PRO A 25 -0.554 7.030 9.008 1.00 0.00 C ATOM 0 HA PRO A 25 1.077 6.287 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.292 7.423 8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.108 8.215 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.493 8.859 9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.141 8.763 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.462 6.814 10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.606 7.239 8.815 1.00 0.00 H new ATOM 387 N TYR A 26 2.820 4.652 6.655 1.00 0.00 N ATOM 388 CA TYR A 26 3.862 3.635 6.744 1.00 0.00 C ATOM 389 C TYR A 26 5.136 4.097 6.043 1.00 0.00 C ATOM 390 O TYR A 26 5.138 4.343 4.836 1.00 0.00 O ATOM 391 CB TYR A 26 3.375 2.322 6.129 1.00 0.00 C ATOM 392 CG TYR A 26 2.633 1.435 7.103 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.320 0.651 8.020 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.245 1.383 7.105 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.645 -0.161 8.912 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.563 0.573 7.993 1.00 0.00 C ATOM 397 CZ TYR A 26 1.267 -0.196 8.894 1.00 0.00 C ATOM 398 OH TYR A 26 0.592 -1.004 9.780 1.00 0.00 O ATOM 0 H TYR A 26 2.558 4.905 5.702 1.00 0.00 H new ATOM 0 HA TYR A 26 4.088 3.473 7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.723 2.546 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.232 1.776 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.400 0.676 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.690 1.985 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.194 -0.765 9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.517 0.543 7.981 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.373 -0.912 9.637 1.00 0.00 H new ATOM 408 N ARG A 27 6.217 4.211 6.807 1.00 0.00 N ATOM 409 CA ARG A 27 7.497 4.642 6.259 1.00 0.00 C ATOM 410 C ARG A 27 8.064 3.591 5.310 1.00 0.00 C ATOM 411 O ARG A 27 7.452 2.546 5.088 1.00 0.00 O ATOM 412 CB ARG A 27 8.492 4.916 7.388 1.00 0.00 C ATOM 413 CG ARG A 27 7.960 5.863 8.452 1.00 0.00 C ATOM 414 CD ARG A 27 8.378 5.426 9.847 1.00 0.00 C ATOM 415 NE ARG A 27 7.527 6.009 10.881 1.00 0.00 N ATOM 416 CZ ARG A 27 7.436 5.535 12.122 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.142 4.471 12.486 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.637 6.123 13.000 1.00 0.00 N ATOM 0 H ARG A 27 6.232 4.011 7.807 1.00 0.00 H new ATOM 0 HA ARG A 27 7.333 5.562 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.765 3.971 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.404 5.336 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.328 6.871 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.872 5.904 8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.337 4.339 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.414 5.717 10.023 1.00 0.00 H new ATOM 0 HE ARG A 27 6.969 6.828 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.757 4.013 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.069 4.112 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.091 6.940 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.568 5.759 13.950 1.00 0.00 H new ATOM 432 N LYS A 28 9.237 3.876 4.752 1.00 0.00 N ATOM 433 CA LYS A 28 9.886 2.955 3.826 1.00 0.00 C ATOM 434 C LYS A 28 10.447 1.745 4.566 1.00 0.00 C ATOM 435 O LYS A 28 10.507 0.644 4.020 1.00 0.00 O ATOM 436 CB LYS A 28 11.006 3.668 3.067 1.00 0.00 C ATOM 437 CG LYS A 28 10.537 4.350 1.791 1.00 0.00 C ATOM 438 CD LYS A 28 11.688 4.569 0.823 1.00 0.00 C ATOM 439 CE LYS A 28 12.460 5.837 1.153 1.00 0.00 C ATOM 440 NZ LYS A 28 13.051 6.461 -0.063 1.00 0.00 N ATOM 0 H LYS A 28 9.757 4.737 4.925 1.00 0.00 H new ATOM 0 HA LYS A 28 9.138 2.607 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.461 4.412 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.783 2.945 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.769 3.742 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.079 5.308 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.361 3.713 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.302 4.631 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.795 6.550 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.253 5.604 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.888 7.018 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.330 5.717 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.349 7.085 -0.510 1.00 0.00 H new ATOM 454 N ALA A 29 10.857 1.958 5.812 1.00 0.00 N ATOM 455 CA ALA A 29 11.413 0.885 6.627 1.00 0.00 C ATOM 456 C ALA A 29 10.310 0.086 7.312 1.00 0.00 C ATOM 457 O ALA A 29 10.405 -1.134 7.447 1.00 0.00 O ATOM 458 CB ALA A 29 12.376 1.451 7.660 1.00 0.00 C ATOM 0 H ALA A 29 10.815 2.864 6.279 1.00 0.00 H new ATOM 0 HA ALA A 29 11.959 0.209 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.783 0.638 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.189 1.970 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.846 2.150 8.307 1.00 0.00 H new ATOM 464 N GLU A 30 9.262 0.781 7.741 1.00 0.00 N ATOM 465 CA GLU A 30 8.140 0.136 8.413 1.00 0.00 C ATOM 466 C GLU A 30 7.322 -0.693 7.427 1.00 0.00 C ATOM 467 O GLU A 30 6.744 -1.718 7.792 1.00 0.00 O ATOM 468 CB GLU A 30 7.249 1.185 9.084 1.00 0.00 C ATOM 469 CG GLU A 30 7.191 1.054 10.598 1.00 0.00 C ATOM 470 CD GLU A 30 6.388 -0.150 11.049 1.00 0.00 C ATOM 471 OE1 GLU A 30 6.425 -1.184 10.348 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.723 -0.060 12.102 1.00 0.00 O ATOM 0 H GLU A 30 9.166 1.791 7.635 1.00 0.00 H new ATOM 0 HA GLU A 30 8.538 -0.531 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.615 2.179 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.239 1.104 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.205 0.978 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.752 1.958 11.021 1.00 0.00 H new ATOM 479 N LEU A 31 7.277 -0.244 6.178 1.00 0.00 N ATOM 480 CA LEU A 31 6.529 -0.945 5.140 1.00 0.00 C ATOM 481 C LEU A 31 7.351 -2.090 4.555 1.00 0.00 C ATOM 482 O LEU A 31 6.804 -3.110 4.138 1.00 0.00 O ATOM 483 CB LEU A 31 6.125 0.026 4.029 1.00 0.00 C ATOM 484 CG LEU A 31 4.879 -0.378 3.239 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.625 -0.162 4.074 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.797 0.406 1.938 1.00 0.00 C ATOM 0 H LEU A 31 7.749 0.602 5.859 1.00 0.00 H new ATOM 0 HA LEU A 31 5.630 -1.362 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.955 1.008 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.959 0.128 3.335 1.00 0.00 H new ATOM 0 HG LEU A 31 4.952 -1.438 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.748 -0.455 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.682 -0.767 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.546 0.891 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.905 0.106 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.746 1.472 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.681 0.202 1.334 1.00 0.00 H new ATOM 498 N LEU A 32 8.668 -1.913 4.530 1.00 0.00 N ATOM 499 CA LEU A 32 9.564 -2.932 3.997 1.00 0.00 C ATOM 500 C LEU A 32 9.553 -4.181 4.873 1.00 0.00 C ATOM 501 O LEU A 32 9.683 -5.300 4.377 1.00 0.00 O ATOM 502 CB LEU A 32 10.989 -2.382 3.891 1.00 0.00 C ATOM 503 CG LEU A 32 11.288 -1.598 2.613 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.550 -0.766 2.780 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.423 -2.543 1.428 1.00 0.00 C ATOM 0 H LEU A 32 9.138 -1.075 4.872 1.00 0.00 H new ATOM 0 HA LEU A 32 9.211 -3.206 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.177 -1.735 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.689 -3.214 3.960 1.00 0.00 H new ATOM 0 HG LEU A 32 10.455 -0.922 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.747 -0.215 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.416 -0.063 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.393 -1.423 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.636 -1.968 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.237 -3.244 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.493 -3.095 1.295 1.00 0.00 H new ATOM 517 N LEU A 33 9.397 -3.981 6.177 1.00 0.00 N ATOM 518 CA LEU A 33 9.369 -5.092 7.122 1.00 0.00 C ATOM 519 C LEU A 33 8.011 -5.787 7.108 1.00 0.00 C ATOM 520 O LEU A 33 7.919 -6.994 7.329 1.00 0.00 O ATOM 521 CB LEU A 33 9.686 -4.595 8.534 1.00 0.00 C ATOM 522 CG LEU A 33 11.099 -4.042 8.724 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.168 -3.168 9.968 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.107 -5.178 8.814 1.00 0.00 C ATOM 0 H LEU A 33 9.288 -3.061 6.604 1.00 0.00 H new ATOM 0 HA LEU A 33 10.128 -5.813 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.969 -3.817 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.537 -5.417 9.234 1.00 0.00 H new ATOM 0 HG LEU A 33 11.348 -3.428 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.181 -2.784 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.473 -2.334 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.899 -3.759 10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.107 -4.767 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.860 -5.817 9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.077 -5.765 7.896 1.00 0.00 H new ATOM 536 N ARG A 34 6.960 -5.016 6.847 1.00 0.00 N ATOM 537 CA ARG A 34 5.607 -5.560 6.803 1.00 0.00 C ATOM 538 C ARG A 34 5.383 -6.365 5.527 1.00 0.00 C ATOM 539 O ARG A 34 4.928 -7.507 5.573 1.00 0.00 O ATOM 540 CB ARG A 34 4.577 -4.431 6.898 1.00 0.00 C ATOM 541 CG ARG A 34 3.433 -4.729 7.853 1.00 0.00 C ATOM 542 CD ARG A 34 2.585 -5.892 7.363 1.00 0.00 C ATOM 543 NE ARG A 34 1.345 -5.438 6.737 1.00 0.00 N ATOM 544 CZ ARG A 34 0.613 -6.188 5.915 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.991 -7.424 5.617 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.503 -5.698 5.390 1.00 0.00 N ATOM 0 H ARG A 34 7.019 -4.014 6.663 1.00 0.00 H new ATOM 0 HA ARG A 34 5.483 -6.227 7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.079 -3.519 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.170 -4.238 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.833 -4.960 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.808 -3.842 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.158 -6.482 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.349 -6.548 8.201 1.00 0.00 H new ATOM 0 HE ARG A 34 1.022 -4.492 6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.847 -7.806 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.425 -7.992 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.799 -4.748 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.065 -6.271 4.760 1.00 0.00 H new ATOM 560 N LEU A 35 5.707 -5.761 4.388 1.00 0.00 N ATOM 561 CA LEU A 35 5.542 -6.421 3.098 1.00 0.00 C ATOM 562 C LEU A 35 6.354 -7.712 3.037 1.00 0.00 C ATOM 563 O LEU A 35 5.976 -8.662 2.354 1.00 0.00 O ATOM 564 CB LEU A 35 5.967 -5.485 1.965 1.00 0.00 C ATOM 565 CG LEU A 35 4.935 -4.423 1.582 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.625 -3.152 1.114 1.00 0.00 C ATOM 567 CD2 LEU A 35 4.001 -4.953 0.504 1.00 0.00 C ATOM 0 H LEU A 35 6.085 -4.815 4.332 1.00 0.00 H new ATOM 0 HA LEU A 35 4.488 -6.671 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.891 -4.984 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.193 -6.085 1.084 1.00 0.00 H new ATOM 0 HG LEU A 35 4.342 -4.185 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.875 -2.408 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.252 -2.762 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.244 -3.373 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.273 -4.185 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.580 -5.219 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.480 -5.835 0.876 1.00 0.00 H new ATOM 579 N GLN A 36 7.472 -7.737 3.756 1.00 0.00 N ATOM 580 CA GLN A 36 8.336 -8.911 3.785 1.00 0.00 C ATOM 581 C GLN A 36 7.581 -10.132 4.300 1.00 0.00 C ATOM 582 O GLN A 36 7.870 -11.263 3.911 1.00 0.00 O ATOM 583 CB GLN A 36 9.564 -8.644 4.660 1.00 0.00 C ATOM 584 CG GLN A 36 10.884 -8.864 3.938 1.00 0.00 C ATOM 585 CD GLN A 36 11.710 -9.975 4.555 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.947 -9.992 5.762 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.154 -10.912 3.725 1.00 0.00 N ATOM 0 H GLN A 36 7.800 -6.958 4.326 1.00 0.00 H new ATOM 0 HA GLN A 36 8.663 -9.116 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.525 -7.617 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.525 -9.293 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.687 -9.101 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.460 -7.938 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.933 -10.859 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.715 -11.685 4.082 1.00 0.00 H new ATOM 596 N LYS A 37 6.612 -9.895 5.179 1.00 0.00 N ATOM 597 CA LYS A 37 5.815 -10.976 5.748 1.00 0.00 C ATOM 598 C LYS A 37 5.062 -11.729 4.657 1.00 0.00 C ATOM 599 O LYS A 37 5.062 -12.959 4.623 1.00 0.00 O ATOM 600 CB LYS A 37 4.828 -10.423 6.776 1.00 0.00 C ATOM 601 CG LYS A 37 5.496 -9.854 8.018 1.00 0.00 C ATOM 602 CD LYS A 37 5.269 -10.740 9.232 1.00 0.00 C ATOM 603 CE LYS A 37 3.849 -10.611 9.760 1.00 0.00 C ATOM 604 NZ LYS A 37 3.264 -11.934 10.112 1.00 0.00 N ATOM 0 H LYS A 37 6.360 -8.965 5.512 1.00 0.00 H new ATOM 0 HA LYS A 37 6.493 -11.672 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.227 -9.643 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.143 -11.217 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.566 -9.748 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.105 -8.856 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.467 -11.779 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.976 -10.471 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.846 -9.967 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.225 -10.127 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.296 -11.802 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.243 -12.540 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.844 -12.386 10.847 1.00 0.00 H new ATOM 618 N ASP A 38 4.420 -10.982 3.764 1.00 0.00 N ATOM 619 CA ASP A 38 3.662 -11.578 2.670 1.00 0.00 C ATOM 620 C ASP A 38 4.596 -12.086 1.575 1.00 0.00 C ATOM 621 O ASP A 38 4.319 -13.097 0.930 1.00 0.00 O ATOM 622 CB ASP A 38 2.679 -10.562 2.088 1.00 0.00 C ATOM 623 CG ASP A 38 1.793 -9.941 3.150 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.445 -10.646 4.120 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.446 -8.749 3.011 1.00 0.00 O ATOM 0 H ASP A 38 4.410 -9.962 3.777 1.00 0.00 H new ATOM 0 HA ASP A 38 3.103 -12.425 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.234 -9.776 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.056 -11.051 1.339 1.00 0.00 H new ATOM 630 N GLY A 39 5.701 -11.377 1.372 1.00 0.00 N ATOM 631 CA GLY A 39 6.657 -11.771 0.354 1.00 0.00 C ATOM 632 C GLY A 39 7.287 -10.581 -0.342 1.00 0.00 C ATOM 633 O GLY A 39 6.732 -10.052 -1.306 1.00 0.00 O ATOM 0 H GLY A 39 5.952 -10.537 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.440 -12.377 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.158 -12.398 -0.385 1.00 0.00 H new ATOM 637 N LEU A 40 8.449 -10.159 0.146 1.00 0.00 N ATOM 638 CA LEU A 40 9.155 -9.022 -0.436 1.00 0.00 C ATOM 639 C LEU A 40 10.529 -9.441 -0.949 1.00 0.00 C ATOM 640 O LEU A 40 11.326 -10.025 -0.215 1.00 0.00 O ATOM 641 CB LEU A 40 9.304 -7.904 0.597 1.00 0.00 C ATOM 642 CG LEU A 40 9.508 -6.505 0.013 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.252 -6.039 -0.707 1.00 0.00 C ATOM 644 CD2 LEU A 40 9.893 -5.522 1.108 1.00 0.00 C ATOM 0 H LEU A 40 8.922 -10.587 0.942 1.00 0.00 H new ATOM 0 HA LEU A 40 8.568 -8.654 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.415 -7.892 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.150 -8.138 1.244 1.00 0.00 H new ATOM 0 HG LEU A 40 10.322 -6.549 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.416 -5.042 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.020 -6.730 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.419 -6.011 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.034 -4.532 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.101 -5.481 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.820 -5.847 1.579 1.00 0.00 H new ATOM 656 N THR A 41 10.799 -9.139 -2.215 1.00 0.00 N ATOM 657 CA THR A 41 12.078 -9.483 -2.827 1.00 0.00 C ATOM 658 C THR A 41 12.848 -8.227 -3.221 1.00 0.00 C ATOM 659 O THR A 41 12.396 -7.108 -2.978 1.00 0.00 O ATOM 660 CB THR A 41 11.856 -10.366 -4.057 1.00 0.00 C ATOM 661 OG1 THR A 41 10.955 -9.751 -4.960 1.00 0.00 O ATOM 662 CG2 THR A 41 11.306 -11.735 -3.719 1.00 0.00 C ATOM 0 H THR A 41 10.150 -8.657 -2.837 1.00 0.00 H new ATOM 0 HA THR A 41 12.668 -10.033 -2.094 1.00 0.00 H new ATOM 0 HB THR A 41 12.842 -10.489 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.075 -9.665 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.172 -12.310 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.004 -12.256 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.346 -11.627 -3.215 1.00 0.00 H new ATOM 670 N GLN A 42 14.014 -8.420 -3.830 1.00 0.00 N ATOM 671 CA GLN A 42 14.846 -7.302 -4.257 1.00 0.00 C ATOM 672 C GLN A 42 14.113 -6.436 -5.277 1.00 0.00 C ATOM 673 O GLN A 42 14.266 -5.215 -5.294 1.00 0.00 O ATOM 674 CB GLN A 42 16.158 -7.815 -4.855 1.00 0.00 C ATOM 675 CG GLN A 42 17.286 -7.924 -3.842 1.00 0.00 C ATOM 676 CD GLN A 42 18.078 -6.638 -3.711 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.922 -6.326 -4.550 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.809 -5.883 -2.652 1.00 0.00 N ATOM 0 H GLN A 42 14.403 -9.340 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 42 15.068 -6.691 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.986 -8.794 -5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.467 -7.148 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.872 -8.192 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.957 -8.731 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.101 -6.180 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.311 -5.006 -2.510 1.00 0.00 H new ATOM 687 N ALA A 43 13.315 -7.077 -6.125 1.00 0.00 N ATOM 688 CA ALA A 43 12.557 -6.366 -7.147 1.00 0.00 C ATOM 689 C ALA A 43 11.434 -5.544 -6.526 1.00 0.00 C ATOM 690 O ALA A 43 11.244 -4.377 -6.866 1.00 0.00 O ATOM 691 CB ALA A 43 11.996 -7.348 -8.165 1.00 0.00 C ATOM 0 H ALA A 43 13.177 -8.088 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 43 13.234 -5.679 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.432 -6.804 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.815 -7.887 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.338 -8.057 -7.662 1.00 0.00 H new ATOM 697 N ASP A 44 10.689 -6.162 -5.615 1.00 0.00 N ATOM 698 CA ASP A 44 9.582 -5.488 -4.947 1.00 0.00 C ATOM 699 C ASP A 44 10.094 -4.403 -4.004 1.00 0.00 C ATOM 700 O ASP A 44 9.430 -3.388 -3.792 1.00 0.00 O ATOM 701 CB ASP A 44 8.738 -6.499 -4.167 1.00 0.00 C ATOM 702 CG ASP A 44 8.381 -7.716 -4.997 1.00 0.00 C ATOM 703 OD1 ASP A 44 8.086 -7.550 -6.199 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.399 -8.836 -4.446 1.00 0.00 O ATOM 0 H ASP A 44 10.832 -7.129 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 44 8.962 -5.018 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.285 -6.816 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.823 -6.016 -3.823 1.00 0.00 H new ATOM 709 N LYS A 45 11.278 -4.624 -3.442 1.00 0.00 N ATOM 710 CA LYS A 45 11.878 -3.666 -2.522 1.00 0.00 C ATOM 711 C LYS A 45 12.237 -2.370 -3.243 1.00 0.00 C ATOM 712 O LYS A 45 11.961 -1.276 -2.748 1.00 0.00 O ATOM 713 CB LYS A 45 13.128 -4.264 -1.873 1.00 0.00 C ATOM 714 CG LYS A 45 12.843 -5.009 -0.579 1.00 0.00 C ATOM 715 CD LYS A 45 14.095 -5.143 0.273 1.00 0.00 C ATOM 716 CE LYS A 45 14.458 -3.827 0.941 1.00 0.00 C ATOM 717 NZ LYS A 45 15.818 -3.866 1.547 1.00 0.00 N ATOM 0 H LYS A 45 11.841 -5.458 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 45 11.147 -3.439 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.603 -4.946 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.841 -3.465 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.073 -4.481 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.449 -5.999 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.938 -5.907 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.925 -5.478 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.411 -3.023 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.723 -3.597 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.026 -2.949 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.856 -4.616 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.522 -4.059 0.807 1.00 0.00 H new ATOM 731 N ASP A 46 12.853 -2.498 -4.413 1.00 0.00 N ATOM 732 CA ASP A 46 13.249 -1.337 -5.200 1.00 0.00 C ATOM 733 C ASP A 46 12.037 -0.681 -5.852 1.00 0.00 C ATOM 734 O ASP A 46 11.998 0.535 -6.032 1.00 0.00 O ATOM 735 CB ASP A 46 14.262 -1.743 -6.272 1.00 0.00 C ATOM 736 CG ASP A 46 15.177 -0.600 -6.665 1.00 0.00 C ATOM 737 OD1 ASP A 46 14.745 0.259 -7.463 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.325 -0.561 -6.174 1.00 0.00 O ATOM 0 H ASP A 46 13.089 -3.395 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 46 13.711 -0.615 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.862 -2.575 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.730 -2.099 -7.154 1.00 0.00 H new ATOM 743 N ALA A 47 11.049 -1.496 -6.207 1.00 0.00 N ATOM 744 CA ALA A 47 9.835 -0.996 -6.840 1.00 0.00 C ATOM 745 C ALA A 47 8.943 -0.281 -5.831 1.00 0.00 C ATOM 746 O ALA A 47 8.216 0.650 -6.179 1.00 0.00 O ATOM 747 CB ALA A 47 9.077 -2.137 -7.502 1.00 0.00 C ATOM 0 H ALA A 47 11.066 -2.506 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 47 10.124 -0.275 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.173 -1.749 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.708 -2.602 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.807 -2.879 -6.750 1.00 0.00 H new ATOM 753 N LEU A 48 9.003 -0.722 -4.578 1.00 0.00 N ATOM 754 CA LEU A 48 8.199 -0.125 -3.517 1.00 0.00 C ATOM 755 C LEU A 48 8.529 1.356 -3.349 1.00 0.00 C ATOM 756 O LEU A 48 7.661 2.161 -3.014 1.00 0.00 O ATOM 757 CB LEU A 48 8.428 -0.864 -2.198 1.00 0.00 C ATOM 758 CG LEU A 48 7.626 -0.331 -1.009 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.155 -0.689 -1.156 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.182 -0.879 0.297 1.00 0.00 C ATOM 0 H LEU A 48 9.600 -1.491 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 48 7.150 -0.214 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.181 -1.916 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.489 -0.816 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 48 7.715 0.755 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.599 -0.302 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.763 -0.249 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.047 -1.773 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.600 -0.490 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.123 -1.967 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.222 -0.573 0.406 1.00 0.00 H new ATOM 772 N ASP A 49 9.790 1.706 -3.583 1.00 0.00 N ATOM 773 CA ASP A 49 10.234 3.089 -3.457 1.00 0.00 C ATOM 774 C ASP A 49 9.544 3.982 -4.485 1.00 0.00 C ATOM 775 O ASP A 49 8.922 4.984 -4.133 1.00 0.00 O ATOM 776 CB ASP A 49 11.752 3.177 -3.626 1.00 0.00 C ATOM 777 CG ASP A 49 12.371 4.246 -2.746 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.076 5.439 -2.964 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.152 3.889 -1.838 1.00 0.00 O ATOM 0 H ASP A 49 10.521 1.051 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 49 9.964 3.439 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.198 2.211 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.987 3.388 -4.669 1.00 0.00 H new ATOM 784 N GLY A 50 9.658 3.610 -5.755 1.00 0.00 N ATOM 785 CA GLY A 50 9.041 4.387 -6.814 1.00 0.00 C ATOM 786 C GLY A 50 7.527 4.356 -6.752 1.00 0.00 C ATOM 787 O GLY A 50 6.861 5.288 -7.201 1.00 0.00 O ATOM 0 H GLY A 50 10.167 2.784 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.383 5.420 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.370 4.003 -7.780 1.00 0.00 H new ATOM 791 N LEU A 51 6.980 3.279 -6.195 1.00 0.00 N ATOM 792 CA LEU A 51 5.534 3.130 -6.077 1.00 0.00 C ATOM 793 C LEU A 51 4.971 4.079 -5.023 1.00 0.00 C ATOM 794 O LEU A 51 3.918 4.684 -5.218 1.00 0.00 O ATOM 795 CB LEU A 51 5.177 1.684 -5.724 1.00 0.00 C ATOM 796 CG LEU A 51 3.942 1.130 -6.436 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.293 0.693 -7.849 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.348 -0.027 -5.648 1.00 0.00 C ATOM 0 H LEU A 51 7.517 2.497 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 51 5.088 3.383 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.030 1.047 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.018 1.618 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 51 3.195 1.921 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.402 0.302 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.672 1.547 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.057 -0.083 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.470 -0.409 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.089 -0.821 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.059 0.319 -4.656 1.00 0.00 H new ATOM 810 N LEU A 52 5.681 4.202 -3.906 1.00 0.00 N ATOM 811 CA LEU A 52 5.251 5.077 -2.821 1.00 0.00 C ATOM 812 C LEU A 52 5.164 6.525 -3.289 1.00 0.00 C ATOM 813 O LEU A 52 4.226 7.245 -2.947 1.00 0.00 O ATOM 814 CB LEU A 52 6.217 4.969 -1.638 1.00 0.00 C ATOM 815 CG LEU A 52 6.018 3.740 -0.751 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.307 3.395 -0.023 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.890 3.976 0.241 1.00 0.00 C ATOM 0 H LEU A 52 6.555 3.708 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 52 4.259 4.758 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.237 4.960 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.115 5.863 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 52 5.746 2.897 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.147 2.518 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.090 3.183 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.609 4.236 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.762 3.091 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.133 4.832 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.965 4.175 -0.300 1.00 0.00 H new ATOM 829 N GLN A 53 6.149 6.948 -4.075 1.00 0.00 N ATOM 830 CA GLN A 53 6.185 8.312 -4.591 1.00 0.00 C ATOM 831 C GLN A 53 4.990 8.587 -5.499 1.00 0.00 C ATOM 832 O GLN A 53 4.555 9.729 -5.638 1.00 0.00 O ATOM 833 CB GLN A 53 7.488 8.555 -5.356 1.00 0.00 C ATOM 834 CG GLN A 53 8.732 8.157 -4.579 1.00 0.00 C ATOM 835 CD GLN A 53 9.901 9.089 -4.833 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.872 9.901 -5.757 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.937 8.975 -4.011 1.00 0.00 N ATOM 0 H GLN A 53 6.933 6.366 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 53 6.135 8.994 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.460 7.997 -6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.555 9.611 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.503 8.149 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.016 7.141 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.917 8.287 -3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.753 9.575 -4.132 1.00 0.00 H new ATOM 846 N GLN A 54 4.465 7.532 -6.117 1.00 0.00 N ATOM 847 CA GLN A 54 3.322 7.664 -7.014 1.00 0.00 C ATOM 848 C GLN A 54 2.009 7.482 -6.257 1.00 0.00 C ATOM 849 O GLN A 54 1.113 8.323 -6.338 1.00 0.00 O ATOM 850 CB GLN A 54 3.417 6.642 -8.148 1.00 0.00 C ATOM 851 CG GLN A 54 4.100 7.180 -9.395 1.00 0.00 C ATOM 852 CD GLN A 54 3.148 7.325 -10.567 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.931 7.222 -10.410 1.00 0.00 O ATOM 854 NE2 GLN A 54 3.699 7.563 -11.751 1.00 0.00 N ATOM 0 H GLN A 54 4.812 6.579 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 54 3.339 8.669 -7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.963 5.768 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.413 6.307 -8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.545 8.150 -9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.915 6.513 -9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.713 7.641 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.109 7.668 -12.576 1.00 0.00 H new ATOM 863 N VAL A 55 1.901 6.378 -5.525 1.00 0.00 N ATOM 864 CA VAL A 55 0.696 6.086 -4.758 1.00 0.00 C ATOM 865 C VAL A 55 0.854 6.499 -3.298 1.00 0.00 C ATOM 866 O VAL A 55 0.263 5.893 -2.405 1.00 0.00 O ATOM 867 CB VAL A 55 0.342 4.588 -4.818 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.041 4.186 -6.234 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.503 3.744 -4.312 1.00 0.00 C ATOM 0 H VAL A 55 2.633 5.672 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.111 6.664 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.516 4.410 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.288 3.125 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.906 4.767 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.796 4.378 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.235 2.689 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.381 3.925 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.726 4.013 -3.280 1.00 0.00 H new ATOM 879 N ALA A 56 1.654 7.535 -3.063 1.00 0.00 N ATOM 880 CA ALA A 56 1.887 8.030 -1.711 1.00 0.00 C ATOM 881 C ALA A 56 2.798 9.252 -1.721 1.00 0.00 C ATOM 882 O ALA A 56 3.319 9.642 -2.766 1.00 0.00 O ATOM 883 CB ALA A 56 2.482 6.931 -0.841 1.00 0.00 C ATOM 0 H ALA A 56 2.151 8.047 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 56 0.927 8.331 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.651 7.315 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.792 6.088 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.430 6.602 -1.268 1.00 0.00 H new ATOM 889 N ASN A 57 2.986 9.854 -0.550 1.00 0.00 N ATOM 890 CA ASN A 57 3.835 11.032 -0.424 1.00 0.00 C ATOM 891 C ASN A 57 4.710 10.942 0.822 1.00 0.00 C ATOM 892 O ASN A 57 4.228 10.620 1.908 1.00 0.00 O ATOM 893 CB ASN A 57 2.979 12.299 -0.369 1.00 0.00 C ATOM 894 CG ASN A 57 2.266 12.573 -1.679 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.899 12.722 -2.724 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.940 12.641 -1.628 1.00 0.00 N ATOM 0 H ASN A 57 2.561 9.545 0.324 1.00 0.00 H new ATOM 0 HA ASN A 57 4.484 11.077 -1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.243 12.202 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.611 13.151 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.406 12.823 -2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.456 12.511 -0.739 1.00 0.00 H new ATOM 903 N MET A 58 5.997 11.227 0.658 1.00 0.00 N ATOM 904 CA MET A 58 6.938 11.178 1.771 1.00 0.00 C ATOM 905 C MET A 58 6.759 12.381 2.689 1.00 0.00 C ATOM 906 O MET A 58 6.051 13.331 2.354 1.00 0.00 O ATOM 907 CB MET A 58 8.376 11.129 1.250 1.00 0.00 C ATOM 908 CG MET A 58 9.319 10.336 2.138 1.00 0.00 C ATOM 909 SD MET A 58 10.628 9.517 1.208 1.00 0.00 S ATOM 910 CE MET A 58 9.675 8.351 0.239 1.00 0.00 C ATOM 0 H MET A 58 6.412 11.494 -0.234 1.00 0.00 H new ATOM 0 HA MET A 58 6.736 10.273 2.344 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.377 10.692 0.252 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.753 12.147 1.152 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.766 11.004 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.749 9.589 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.136 8.230 -0.741 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.651 7.388 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.658 8.724 0.119 1.00 0.00 H new ATOM 920 N SER A 59 7.405 12.336 3.850 1.00 0.00 N ATOM 921 CA SER A 59 7.316 13.424 4.817 1.00 0.00 C ATOM 922 C SER A 59 8.632 14.191 4.896 1.00 0.00 C ATOM 923 O SER A 59 9.654 13.743 4.377 1.00 0.00 O ATOM 924 CB SER A 59 6.947 12.877 6.198 1.00 0.00 C ATOM 925 OG SER A 59 6.436 13.902 7.033 1.00 0.00 O ATOM 0 H SER A 59 7.996 11.558 4.144 1.00 0.00 H new ATOM 0 HA SER A 59 6.537 14.110 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.205 12.086 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.826 12.430 6.662 1.00 0.00 H new ATOM 0 HG SER A 59 6.206 13.527 7.909 1.00 0.00 H new ATOM 931 N ALA A 60 8.599 15.348 5.548 1.00 0.00 N ATOM 932 CA ALA A 60 9.789 16.178 5.695 1.00 0.00 C ATOM 933 C ALA A 60 10.173 16.332 7.162 1.00 0.00 C ATOM 934 O ALA A 60 10.706 17.364 7.569 1.00 0.00 O ATOM 935 CB ALA A 60 9.562 17.542 5.060 1.00 0.00 C ATOM 0 H ALA A 60 7.761 15.733 5.983 1.00 0.00 H new ATOM 0 HA ALA A 60 10.613 15.683 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.458 18.151 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.343 17.418 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.722 18.035 5.548 1.00 0.00 H new ATOM 941 N LYS A 61 9.900 15.299 7.952 1.00 0.00 N ATOM 942 CA LYS A 61 10.218 15.320 9.375 1.00 0.00 C ATOM 943 C LYS A 61 10.851 14.002 9.810 1.00 0.00 C ATOM 944 O LYS A 61 11.869 13.990 10.503 1.00 0.00 O ATOM 945 CB LYS A 61 8.956 15.590 10.198 1.00 0.00 C ATOM 946 CG LYS A 61 9.242 16.143 11.584 1.00 0.00 C ATOM 947 CD LYS A 61 7.957 16.485 12.322 1.00 0.00 C ATOM 948 CE LYS A 61 8.242 17.034 13.711 1.00 0.00 C ATOM 949 NZ LYS A 61 7.237 16.570 14.708 1.00 0.00 N ATOM 0 H LYS A 61 9.459 14.437 7.631 1.00 0.00 H new ATOM 0 HA LYS A 61 10.935 16.122 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.324 16.295 9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.390 14.663 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.810 15.411 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.863 17.035 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.391 17.219 11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.334 15.594 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.238 16.723 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.244 18.123 13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.466 16.966 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.290 16.888 14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.252 15.531 14.759 1.00 0.00 H new ATOM 963 N ASP A 62 10.241 12.894 9.400 1.00 0.00 N ATOM 964 CA ASP A 62 10.744 11.571 9.747 1.00 0.00 C ATOM 965 C ASP A 62 10.952 10.723 8.497 1.00 0.00 C ATOM 966 O ASP A 62 11.975 10.053 8.351 1.00 0.00 O ATOM 967 CB ASP A 62 9.777 10.868 10.700 1.00 0.00 C ATOM 968 CG ASP A 62 10.302 9.526 11.172 1.00 0.00 C ATOM 969 OD1 ASP A 62 11.441 9.481 11.683 1.00 0.00 O ATOM 970 OD2 ASP A 62 9.574 8.521 11.032 1.00 0.00 O ATOM 0 H ASP A 62 9.397 12.887 8.827 1.00 0.00 H new ATOM 0 HA ASP A 62 11.706 11.695 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.594 11.507 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.819 10.725 10.200 1.00 0.00 H new ATOM 975 N GLY A 63 9.975 10.756 7.596 1.00 0.00 N ATOM 976 CA GLY A 63 10.069 9.987 6.369 1.00 0.00 C ATOM 977 C GLY A 63 8.905 9.033 6.191 1.00 0.00 C ATOM 978 O GLY A 63 9.084 7.899 5.747 1.00 0.00 O ATOM 0 H GLY A 63 9.119 11.302 7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.109 10.668 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.001 9.422 6.369 1.00 0.00 H new ATOM 982 N THR A 64 7.707 9.494 6.538 1.00 0.00 N ATOM 983 CA THR A 64 6.508 8.674 6.413 1.00 0.00 C ATOM 984 C THR A 64 5.906 8.797 5.017 1.00 0.00 C ATOM 985 O THR A 64 5.931 9.870 4.412 1.00 0.00 O ATOM 986 CB THR A 64 5.474 9.083 7.464 1.00 0.00 C ATOM 987 OG1 THR A 64 6.103 9.692 8.577 1.00 0.00 O ATOM 988 CG2 THR A 64 4.653 7.920 7.980 1.00 0.00 C ATOM 0 H THR A 64 7.541 10.430 6.908 1.00 0.00 H new ATOM 0 HA THR A 64 6.791 7.634 6.576 1.00 0.00 H new ATOM 0 HB THR A 64 4.808 9.781 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.425 9.948 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.940 8.279 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.115 7.459 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.313 7.184 8.438 1.00 0.00 H new ATOM 996 N CYS A 65 5.367 7.694 4.511 1.00 0.00 N ATOM 997 CA CYS A 65 4.758 7.678 3.186 1.00 0.00 C ATOM 998 C CYS A 65 3.240 7.567 3.285 1.00 0.00 C ATOM 999 O CYS A 65 2.683 6.470 3.225 1.00 0.00 O ATOM 1000 CB CYS A 65 5.313 6.514 2.361 1.00 0.00 C ATOM 1001 SG CYS A 65 6.822 6.912 1.448 1.00 0.00 S ATOM 0 H CYS A 65 5.339 6.798 4.998 1.00 0.00 H new ATOM 0 HA CYS A 65 5.004 8.617 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.514 5.674 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.550 6.186 1.655 1.00 0.00 H new ATOM 0 HG CYS A 65 7.270 8.070 1.834 1.00 0.00 H new ATOM 1007 N THR A 66 2.577 8.708 3.436 1.00 0.00 N ATOM 1008 CA THR A 66 1.123 8.739 3.544 1.00 0.00 C ATOM 1009 C THR A 66 0.471 8.403 2.206 1.00 0.00 C ATOM 1010 O THR A 66 1.097 8.519 1.153 1.00 0.00 O ATOM 1011 CB THR A 66 0.655 10.116 4.020 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.213 11.140 3.216 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.024 10.409 5.458 1.00 0.00 C ATOM 0 H THR A 66 3.023 9.624 3.486 1.00 0.00 H new ATOM 0 HA THR A 66 0.822 7.988 4.274 1.00 0.00 H new ATOM 0 HB THR A 66 -0.432 10.097 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.901 12.013 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.663 11.400 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.568 9.664 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.108 10.374 5.570 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.791 7.988 2.257 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.528 7.637 1.049 1.00 0.00 C ATOM 1023 C LEU A 67 -2.218 8.861 0.460 1.00 0.00 C ATOM 1024 O LEU A 67 -2.484 9.836 1.164 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.562 6.551 1.354 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.159 5.861 0.126 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.112 5.005 -0.567 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.363 5.020 0.522 1.00 0.00 C ATOM 0 H LEU A 67 -1.324 7.887 3.121 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.817 7.255 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.096 5.795 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.372 6.995 1.932 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.491 6.628 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.555 4.522 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.280 5.634 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.749 4.244 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.776 4.536 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.056 4.260 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.122 5.660 0.973 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.507 8.806 -0.837 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.167 9.914 -1.520 1.00 0.00 C ATOM 1042 C GLN A 68 -4.678 9.853 -1.321 1.00 0.00 C ATOM 1043 O GLN A 68 -5.249 8.778 -1.139 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.835 9.888 -3.013 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.363 9.649 -3.304 1.00 0.00 C ATOM 1046 CD GLN A 68 -0.887 10.382 -4.543 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.671 10.670 -5.447 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.404 10.688 -4.591 1.00 0.00 N ATOM 0 H GLN A 68 -2.295 8.007 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.800 10.846 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.424 9.107 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.136 10.835 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.770 9.969 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.190 8.580 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.018 10.430 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.781 11.181 -5.400 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.321 11.016 -1.359 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.766 11.097 -1.183 1.00 0.00 C ATOM 1059 C ASP A 69 -7.494 10.458 -2.362 1.00 0.00 C ATOM 1060 O ASP A 69 -8.503 9.775 -2.184 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.201 12.556 -1.030 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.229 13.000 0.420 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -6.178 12.915 1.088 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.304 13.434 0.886 1.00 0.00 O ATOM 0 H ASP A 69 -4.864 11.915 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.028 10.550 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.520 13.196 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.192 12.685 -1.466 1.00 0.00 H new ATOM 1069 N CYS A 70 -6.975 10.684 -3.564 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.576 10.130 -4.772 1.00 0.00 C ATOM 1071 C CYS A 70 -7.319 8.630 -4.870 1.00 0.00 C ATOM 1072 O CYS A 70 -8.129 7.886 -5.424 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.022 10.836 -6.010 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.504 12.574 -6.148 1.00 0.00 S ATOM 0 H CYS A 70 -6.140 11.247 -3.728 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.653 10.292 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.934 10.772 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.360 10.305 -6.900 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.985 13.084 -7.225 1.00 0.00 H new ATOM 1080 N MET A 71 -6.186 8.192 -4.330 1.00 0.00 N ATOM 1081 CA MET A 71 -5.822 6.780 -4.357 1.00 0.00 C ATOM 1082 C MET A 71 -6.790 5.947 -3.521 1.00 0.00 C ATOM 1083 O MET A 71 -6.972 4.756 -3.770 1.00 0.00 O ATOM 1084 CB MET A 71 -4.393 6.591 -3.841 1.00 0.00 C ATOM 1085 CG MET A 71 -3.326 6.948 -4.864 1.00 0.00 C ATOM 1086 SD MET A 71 -3.426 5.939 -6.354 1.00 0.00 S ATOM 1087 CE MET A 71 -3.369 4.292 -5.654 1.00 0.00 C ATOM 0 H MET A 71 -5.504 8.794 -3.869 1.00 0.00 H new ATOM 0 HA MET A 71 -5.879 6.438 -5.390 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.252 7.205 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.260 5.553 -3.536 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.425 7.999 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.341 6.826 -4.413 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.154 3.569 -6.441 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.587 4.246 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.331 4.057 -5.198 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.411 6.582 -2.530 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.362 5.898 -1.658 1.00 0.00 C ATOM 1099 C TYR A 72 -9.462 5.218 -2.470 1.00 0.00 C ATOM 1100 O TYR A 72 -10.028 4.211 -2.044 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.981 6.888 -0.670 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.206 7.022 0.622 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.822 5.898 1.343 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.859 8.271 1.120 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.114 6.016 2.524 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -7.151 8.398 2.299 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.782 7.268 2.997 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.076 7.389 4.172 1.00 0.00 O ATOM 0 H TYR A 72 -7.273 7.569 -2.311 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.820 5.131 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.050 7.867 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.999 6.572 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.081 4.916 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.148 9.158 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.822 5.133 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.888 9.377 2.672 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.922 8.337 4.365 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.759 5.775 -3.639 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.790 5.220 -4.509 1.00 0.00 C ATOM 1120 C LYS A 73 -10.433 3.804 -4.956 1.00 0.00 C ATOM 1121 O LYS A 73 -11.304 3.036 -5.363 1.00 0.00 O ATOM 1122 CB LYS A 73 -10.989 6.117 -5.733 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.204 7.582 -5.384 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.497 8.116 -5.980 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.614 8.143 -4.949 1.00 0.00 C ATOM 1126 NZ LYS A 73 -14.905 8.590 -5.542 1.00 0.00 N ATOM 0 H LYS A 73 -9.301 6.609 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.719 5.175 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.118 6.031 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.847 5.758 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.227 7.699 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.363 8.171 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.333 9.122 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.794 7.494 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.736 7.149 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.339 8.811 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.641 8.595 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.796 9.549 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.181 7.938 -6.304 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.148 3.464 -4.881 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.685 2.140 -5.281 1.00 0.00 C ATOM 1142 C ASP A 74 -8.555 1.216 -4.074 1.00 0.00 C ATOM 1143 O ASP A 74 -7.690 0.340 -4.041 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.340 2.246 -6.002 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.497 2.561 -7.477 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -8.144 3.579 -7.801 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.974 1.789 -8.307 1.00 0.00 O ATOM 0 H ASP A 74 -8.412 4.086 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.425 1.716 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.738 3.022 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.796 1.308 -5.890 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.421 1.413 -3.085 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.402 0.593 -1.878 1.00 0.00 C ATOM 1154 C VAL A 75 -10.664 -0.255 -1.773 1.00 0.00 C ATOM 1155 O VAL A 75 -11.763 0.269 -1.584 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.270 1.461 -0.612 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.090 0.587 0.620 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -8.115 2.439 -0.753 1.00 0.00 C ATOM 0 H VAL A 75 -10.144 2.132 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.533 -0.061 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.189 2.034 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.999 1.218 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.954 -0.069 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.189 -0.016 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.038 3.043 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.187 1.887 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.291 3.089 -1.610 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.501 -1.568 -1.894 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.627 -2.490 -1.812 1.00 0.00 C ATOM 1170 C GLN A 76 -12.021 -2.742 -0.361 1.00 0.00 C ATOM 1171 O GLN A 76 -11.187 -2.662 0.541 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.281 -3.815 -2.496 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.895 -3.664 -3.957 1.00 0.00 C ATOM 1174 CD GLN A 76 -10.485 -4.978 -4.591 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -11.046 -6.030 -4.284 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.502 -4.925 -5.482 1.00 0.00 N ATOM 0 H GLN A 76 -9.599 -2.018 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.474 -2.034 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.459 -4.287 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.137 -4.486 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.736 -3.245 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.073 -2.953 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.065 -4.031 -5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.184 -5.778 -5.942 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.296 -3.048 -0.143 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.799 -3.314 1.200 1.00 0.00 C ATOM 1187 C LYS A 77 -13.880 -4.815 1.464 1.00 0.00 C ATOM 1188 O LYS A 77 -14.726 -5.275 2.229 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.176 -2.677 1.387 1.00 0.00 C ATOM 1190 CG LYS A 77 -16.185 -3.080 0.322 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.524 -1.919 -0.599 1.00 0.00 C ATOM 1192 CE LYS A 77 -18.014 -1.858 -0.894 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.788 -1.334 0.265 1.00 0.00 N ATOM 0 H LYS A 77 -13.999 -3.118 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.103 -2.875 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.565 -2.954 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.069 -1.592 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.784 -3.906 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.095 -3.442 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.204 -0.984 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.971 -2.021 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.186 -1.223 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.374 -2.854 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.799 -1.308 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.644 -1.954 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.462 -0.373 0.494 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.993 -5.572 0.825 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.963 -7.019 0.991 1.00 0.00 C ATOM 1209 C ASP A 78 -11.527 -7.530 1.070 1.00 0.00 C ATOM 1210 O ASP A 78 -11.245 -8.675 0.718 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.700 -7.701 -0.166 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.049 -8.249 0.253 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.148 -8.798 1.371 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -16.009 -8.130 -0.539 1.00 0.00 O ATOM 0 H ASP A 78 -12.286 -5.206 0.188 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.466 -7.263 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.837 -6.986 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.086 -8.513 -0.556 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.623 -6.673 1.537 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.217 -7.040 1.662 1.00 0.00 C ATOM 1221 C TRP A 79 -9.043 -8.181 2.666 1.00 0.00 C ATOM 1222 O TRP A 79 -9.549 -8.111 3.786 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.390 -5.830 2.099 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.916 -6.014 1.905 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.954 -6.002 2.874 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.234 -6.237 0.665 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.717 -6.205 2.313 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.862 -6.351 0.959 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.650 -6.351 -0.665 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.905 -6.575 -0.029 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.700 -6.574 -1.643 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.341 -6.684 -1.321 1.00 0.00 C ATOM 0 H TRP A 79 -10.839 -5.722 1.834 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.865 -7.378 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.716 -4.955 1.537 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.588 -5.625 3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.139 -5.854 3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.834 -6.241 2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.695 -6.266 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.857 -6.660 0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.010 -6.665 -2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.623 -6.858 -2.109 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.325 -9.251 2.278 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.094 -10.402 3.155 1.00 0.00 C ATOM 1245 C PRO A 80 -7.047 -10.125 4.231 1.00 0.00 C ATOM 1246 O PRO A 80 -6.794 -10.968 5.092 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.596 -11.478 2.190 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.934 -10.723 1.091 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.683 -9.424 0.959 1.00 0.00 C ATOM 0 HA PRO A 80 -8.992 -10.679 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.898 -12.157 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.420 -12.084 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.883 -10.544 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.966 -11.286 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.011 -8.597 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.421 -9.467 0.158 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.439 -8.943 4.179 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.429 -8.586 5.157 1.00 0.00 C ATOM 1259 C GLY A 81 -6.027 -8.044 6.441 1.00 0.00 C ATOM 1260 O GLY A 81 -5.437 -8.180 7.513 1.00 0.00 O ATOM 0 H GLY A 81 -6.628 -8.227 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.823 -9.463 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.761 -7.839 4.728 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.198 -7.427 6.333 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.875 -6.861 7.495 1.00 0.00 C ATOM 1266 C TYR A 82 -8.620 -7.942 8.272 1.00 0.00 C ATOM 1267 O TYR A 82 -8.652 -9.104 7.864 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.850 -5.766 7.059 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.198 -4.654 6.268 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -6.978 -4.120 6.662 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.804 -4.138 5.130 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.378 -3.103 5.942 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.210 -3.122 4.405 1.00 0.00 C ATOM 1274 CZ TYR A 82 -6.999 -2.608 4.815 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.406 -1.596 4.096 1.00 0.00 O ATOM 0 H TYR A 82 -7.699 -7.306 5.453 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.119 -6.426 8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.640 -6.214 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.325 -5.341 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.490 -4.505 7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.754 -4.537 4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.429 -2.699 6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.693 -2.733 3.521 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.462 -1.524 4.350 1.00 0.00 H new ATOM 1285 N SER A 83 -9.218 -7.551 9.393 1.00 0.00 N ATOM 1286 CA SER A 83 -9.962 -8.486 10.228 1.00 0.00 C ATOM 1287 C SER A 83 -11.183 -7.812 10.845 1.00 0.00 C ATOM 1288 O SER A 83 -12.318 -8.077 10.448 1.00 0.00 O ATOM 1289 CB SER A 83 -9.061 -9.045 11.332 1.00 0.00 C ATOM 1290 OG SER A 83 -8.464 -10.266 10.933 1.00 0.00 O ATOM 0 H SER A 83 -9.202 -6.593 9.744 1.00 0.00 H new ATOM 0 HA SER A 83 -10.303 -9.306 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.285 -8.319 11.575 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.646 -9.202 12.239 1.00 0.00 H new ATOM 0 HG SER A 83 -7.892 -10.602 11.655 1.00 0.00 H new ATOM 1296 N GLU A 84 -10.943 -6.938 11.818 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.024 -6.226 12.490 1.00 0.00 C ATOM 1298 C GLU A 84 -11.621 -4.786 12.792 1.00 0.00 C ATOM 1299 O GLU A 84 -12.238 -3.842 12.297 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.407 -6.942 13.786 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.117 -8.267 13.562 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.715 -8.830 14.836 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -14.800 -8.360 15.241 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -13.100 -9.742 15.428 1.00 0.00 O ATOM 0 H GLU A 84 -10.010 -6.706 12.158 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.886 -6.212 11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.506 -7.117 14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.051 -6.289 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.907 -8.131 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.412 -8.987 13.147 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.585 -4.624 13.607 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.118 -3.298 13.961 1.00 0.00 C ATOM 1313 C GLY A 85 -9.704 -2.485 12.750 1.00 0.00 C ATOM 1314 O GLY A 85 -9.781 -1.256 12.763 1.00 0.00 O ATOM 0 H GLY A 85 -10.060 -5.389 14.029 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.907 -2.770 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.272 -3.384 14.643 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.263 -3.171 11.701 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.835 -2.504 10.477 1.00 0.00 C ATOM 1320 C ASP A 86 -9.999 -2.360 9.501 1.00 0.00 C ATOM 1321 O ASP A 86 -10.063 -1.398 8.735 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.696 -3.285 9.818 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.431 -3.275 10.654 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.159 -2.246 11.308 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.713 -4.296 10.655 1.00 0.00 O ATOM 0 H ASP A 86 -9.193 -4.188 11.674 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.479 -1.508 10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.012 -4.315 9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.484 -2.857 8.838 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.915 -3.321 9.533 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.076 -3.301 8.652 1.00 0.00 C ATOM 1332 C GLN A 87 -12.990 -2.123 8.978 1.00 0.00 C ATOM 1333 O GLN A 87 -13.656 -1.579 8.098 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.855 -4.612 8.769 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.248 -5.754 7.970 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.266 -6.819 7.610 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.321 -6.521 7.050 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.954 -8.068 7.933 1.00 0.00 N ATOM 0 H GLN A 87 -10.876 -4.124 10.160 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.719 -3.188 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.907 -4.901 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.879 -4.448 8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.804 -5.358 7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.442 -6.207 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.068 -8.269 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.600 -8.827 7.718 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.015 -1.736 10.249 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.847 -0.623 10.691 1.00 0.00 C ATOM 1349 C GLN A 88 -13.128 0.707 10.495 1.00 0.00 C ATOM 1350 O GLN A 88 -13.725 1.687 10.048 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.227 -0.798 12.163 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.181 -1.956 12.412 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.421 -1.537 13.178 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.520 -1.490 12.627 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.249 -1.229 14.459 1.00 0.00 N ATOM 0 H GLN A 88 -12.469 -2.176 10.990 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.753 -0.617 10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.320 -0.953 12.748 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.685 0.123 12.523 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.478 -2.389 11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.662 -2.736 12.968 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.320 -1.282 14.876 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.046 -0.940 15.026 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.842 0.735 10.831 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.042 1.946 10.691 1.00 0.00 C ATOM 1366 C LEU A 89 -10.947 2.370 9.229 1.00 0.00 C ATOM 1367 O LEU A 89 -11.029 3.556 8.910 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.639 1.723 11.262 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.790 2.986 11.405 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.011 3.624 12.768 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.318 2.665 11.197 1.00 0.00 C ATOM 0 H LEU A 89 -11.332 -0.067 11.202 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.533 2.743 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.732 1.254 12.241 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.110 1.019 10.620 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.098 3.697 10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.399 4.522 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.062 3.890 12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.730 2.918 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.729 3.576 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.996 1.936 11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.173 2.253 10.198 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.773 1.394 8.345 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.665 1.665 6.915 1.00 0.00 C ATOM 1385 C LEU A 90 -11.908 2.384 6.399 1.00 0.00 C ATOM 1386 O LEU A 90 -11.836 3.170 5.456 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.459 0.361 6.142 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.153 0.532 4.653 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.653 0.613 4.421 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.758 -0.611 3.852 1.00 0.00 C ATOM 0 H LEU A 90 -10.704 0.407 8.593 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.803 2.313 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.641 -0.192 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.356 -0.250 6.245 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.602 1.466 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.456 0.734 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.246 1.465 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.180 -0.303 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.531 -0.474 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.338 -1.557 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.839 -0.622 3.993 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.048 2.106 7.023 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.307 2.726 6.625 1.00 0.00 C ATOM 1404 C LYS A 91 -14.263 4.235 6.835 1.00 0.00 C ATOM 1405 O LYS A 91 -14.434 5.008 5.893 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.468 2.123 7.418 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.743 0.667 7.082 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.791 0.069 8.008 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.622 -0.991 7.303 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.067 -0.633 7.269 1.00 0.00 N ATOM 0 H LYS A 91 -13.126 1.456 7.805 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.459 2.531 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.252 2.207 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.369 2.707 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.082 0.589 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.819 0.094 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.301 -0.370 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.445 0.859 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.256 -1.121 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.497 -1.947 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.599 -1.381 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.423 -0.534 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.190 0.267 6.762 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.032 4.650 8.077 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.969 6.069 8.411 1.00 0.00 C ATOM 1426 C ARG A 92 -12.887 6.776 7.597 1.00 0.00 C ATOM 1427 O ARG A 92 -13.018 7.953 7.264 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.697 6.251 9.905 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.383 5.640 10.364 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.004 6.113 11.759 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.214 5.075 12.765 1.00 0.00 N ATOM 1432 CZ ARG A 92 -11.795 5.168 14.025 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.145 6.248 14.437 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -12.029 4.178 14.875 1.00 0.00 N ATOM 0 H ARG A 92 -13.885 4.024 8.869 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.933 6.515 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.694 7.316 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.514 5.803 10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.464 4.553 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.593 5.905 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.958 6.418 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.595 6.992 12.017 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.711 4.229 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.964 7.013 13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.826 6.314 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.530 3.346 14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.708 4.248 15.841 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.821 6.049 7.280 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.719 6.608 6.507 1.00 0.00 C ATOM 1450 C VAL A 93 -11.129 6.856 5.057 1.00 0.00 C ATOM 1451 O VAL A 93 -10.563 7.715 4.381 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.488 5.680 6.528 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.306 6.340 5.837 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.133 5.295 7.957 1.00 0.00 C ATOM 0 H VAL A 93 -11.697 5.072 7.546 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.458 7.557 6.975 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.735 4.770 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.448 5.668 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.565 6.557 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.056 7.268 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.262 4.640 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.907 6.194 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.975 4.775 8.414 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.115 6.100 4.585 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.596 6.240 3.215 1.00 0.00 C ATOM 1466 C LEU A 94 -13.832 7.132 3.155 1.00 0.00 C ATOM 1467 O LEU A 94 -14.081 7.796 2.150 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.916 4.866 2.622 1.00 0.00 C ATOM 1469 CG LEU A 94 -11.731 3.901 2.545 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.218 2.462 2.491 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -10.865 4.219 1.336 1.00 0.00 C ATOM 0 H LEU A 94 -12.596 5.385 5.130 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.806 6.709 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.703 4.404 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.317 5.005 1.618 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.126 4.024 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.362 1.790 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.797 2.240 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -12.845 2.323 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.027 3.524 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.459 4.123 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.487 5.238 1.417 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.606 7.138 4.235 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.818 7.947 4.302 1.00 0.00 C ATOM 1485 C VAL A 95 -15.488 9.426 4.482 1.00 0.00 C ATOM 1486 O VAL A 95 -15.915 10.266 3.690 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.734 7.493 5.456 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -18.062 8.233 5.408 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.952 5.987 5.405 1.00 0.00 C ATOM 0 H VAL A 95 -14.416 6.592 5.075 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.341 7.808 3.355 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.244 7.734 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.695 7.899 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.885 9.305 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.560 8.027 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.601 5.685 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.419 5.719 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.993 5.477 5.494 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.730 9.737 5.527 1.00 0.00 N ATOM 1500 CA ARG A 96 -14.347 11.116 5.810 1.00 0.00 C ATOM 1501 C ARG A 96 -13.586 11.726 4.637 1.00 0.00 C ATOM 1502 O ARG A 96 -13.704 12.920 4.362 1.00 0.00 O ATOM 1503 CB ARG A 96 -13.494 11.180 7.081 1.00 0.00 C ATOM 1504 CG ARG A 96 -14.175 11.899 8.234 1.00 0.00 C ATOM 1505 CD ARG A 96 -14.787 10.918 9.222 1.00 0.00 C ATOM 1506 NE ARG A 96 -14.459 11.258 10.605 1.00 0.00 N ATOM 1507 CZ ARG A 96 -13.225 11.224 11.104 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -12.202 10.867 10.338 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -13.015 11.550 12.372 1.00 0.00 N ATOM 0 H ARG A 96 -14.368 9.054 6.192 1.00 0.00 H new ATOM 0 HA ARG A 96 -15.258 11.694 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.244 10.166 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.555 11.684 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.451 12.530 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.952 12.557 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.870 10.907 9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.431 9.912 9.002 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.220 11.538 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.359 10.617 9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.259 10.843 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.798 11.826 12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.070 11.524 12.755 1.00 0.00 H new ATOM 1523 N LYS A 97 -12.805 10.900 3.950 1.00 0.00 N ATOM 1524 CA LYS A 97 -12.025 11.360 2.807 1.00 0.00 C ATOM 1525 C LYS A 97 -12.914 11.549 1.582 1.00 0.00 C ATOM 1526 O LYS A 97 -12.946 12.626 0.986 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.906 10.366 2.492 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.869 10.247 3.596 1.00 0.00 C ATOM 1529 CD LYS A 97 -9.017 11.502 3.698 1.00 0.00 C ATOM 1530 CE LYS A 97 -8.324 11.598 5.048 1.00 0.00 C ATOM 1531 NZ LYS A 97 -7.094 10.761 5.102 1.00 0.00 N ATOM 0 H LYS A 97 -12.695 9.909 4.164 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.583 12.323 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.344 9.385 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.410 10.670 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.369 10.067 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.229 9.386 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.270 11.501 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.643 12.381 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.065 12.637 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.012 11.283 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.880 10.521 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.245 9.887 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.296 11.289 4.694 1.00 0.00 H new ATOM 1545 N LEU A 98 -13.633 10.495 1.211 1.00 0.00 N ATOM 1546 CA LEU A 98 -14.523 10.545 0.056 1.00 0.00 C ATOM 1547 C LEU A 98 -15.911 11.029 0.459 1.00 0.00 C ATOM 1548 O LEU A 98 -16.688 10.287 1.061 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.622 9.165 -0.598 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.283 8.469 -0.847 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.499 7.122 -1.521 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.374 9.349 -1.691 1.00 0.00 C ATOM 0 H LEU A 98 -13.617 9.596 1.693 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.106 11.251 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.236 8.523 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.143 9.267 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.800 8.298 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.536 6.641 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.113 6.489 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.004 7.270 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.426 8.838 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.851 9.551 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.192 10.289 -1.171 1.00 0.00 H new ATOM 1564 N SER A 99 -16.217 12.280 0.126 1.00 0.00 N ATOM 1565 CA SER A 99 -17.511 12.863 0.453 1.00 0.00 C ATOM 1566 C SER A 99 -17.739 12.871 1.961 1.00 0.00 C ATOM 1567 O SER A 99 -18.452 12.022 2.497 1.00 0.00 O ATOM 1568 CB SER A 99 -18.634 12.088 -0.239 1.00 0.00 C ATOM 1569 OG SER A 99 -19.872 12.766 -0.120 1.00 0.00 O ATOM 0 H SER A 99 -15.585 12.908 -0.370 1.00 0.00 H new ATOM 0 HA SER A 99 -17.517 13.893 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.390 11.952 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.717 11.094 0.199 1.00 0.00 H new ATOM 0 HG SER A 99 -20.572 12.250 -0.572 1.00 0.00 H new ATOM 1575 N GLY A 100 -17.130 13.836 2.642 1.00 0.00 N ATOM 1576 CA GLY A 100 -17.279 13.937 4.082 1.00 0.00 C ATOM 1577 C GLY A 100 -18.187 15.081 4.493 1.00 0.00 C ATOM 1578 O GLY A 100 -19.001 15.546 3.696 1.00 0.00 O ATOM 0 H GLY A 100 -16.535 14.550 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.681 13.001 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -16.298 14.074 4.537 1.00 0.00 H new ATOM 1582 N PRO A 101 -18.068 15.560 5.744 1.00 0.00 N ATOM 1583 CA PRO A 101 -18.894 16.664 6.248 1.00 0.00 C ATOM 1584 C PRO A 101 -18.856 17.880 5.330 1.00 0.00 C ATOM 1585 O PRO A 101 -18.103 17.912 4.356 1.00 0.00 O ATOM 1586 CB PRO A 101 -18.259 16.994 7.600 1.00 0.00 C ATOM 1587 CG PRO A 101 -17.593 15.732 8.025 1.00 0.00 C ATOM 1588 CD PRO A 101 -17.123 15.066 6.762 1.00 0.00 C ATOM 0 HA PRO A 101 -19.947 16.389 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.541 17.810 7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -19.011 17.308 8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.756 15.938 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.285 15.090 8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.095 15.339 6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.153 13.980 6.845 1.00 0.00 H new ATOM 1596 N SER A 102 -19.674 18.880 5.647 1.00 0.00 N ATOM 1597 CA SER A 102 -19.739 20.103 4.854 1.00 0.00 C ATOM 1598 C SER A 102 -20.221 19.811 3.435 1.00 0.00 C ATOM 1599 O SER A 102 -21.391 20.019 3.113 1.00 0.00 O ATOM 1600 CB SER A 102 -18.370 20.787 4.814 1.00 0.00 C ATOM 1601 OG SER A 102 -18.366 21.869 3.900 1.00 0.00 O ATOM 0 H SER A 102 -20.303 18.867 6.450 1.00 0.00 H new ATOM 0 HA SER A 102 -20.456 20.773 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.111 21.147 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.607 20.063 4.528 1.00 0.00 H new ATOM 0 HG SER A 102 -17.481 22.289 3.895 1.00 0.00 H new ATOM 1607 N SER A 103 -19.315 19.329 2.590 1.00 0.00 N ATOM 1608 CA SER A 103 -19.651 19.010 1.208 1.00 0.00 C ATOM 1609 C SER A 103 -18.873 17.791 0.725 1.00 0.00 C ATOM 1610 O SER A 103 -19.451 16.846 0.187 1.00 0.00 O ATOM 1611 CB SER A 103 -19.361 20.207 0.301 1.00 0.00 C ATOM 1612 OG SER A 103 -19.669 21.427 0.953 1.00 0.00 O ATOM 0 H SER A 103 -18.342 19.151 2.839 1.00 0.00 H new ATOM 0 HA SER A 103 -20.715 18.779 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 103 -18.310 20.201 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 103 -19.945 20.123 -0.615 1.00 0.00 H new ATOM 0 HG SER A 103 -19.474 22.177 0.353 1.00 0.00 H new ATOM 1618 N GLY A 104 -17.559 17.818 0.921 1.00 0.00 N ATOM 1619 CA GLY A 104 -16.723 16.710 0.500 1.00 0.00 C ATOM 1620 C GLY A 104 -15.344 16.752 1.129 1.00 0.00 C ATOM 1621 O GLY A 104 -14.950 17.829 1.623 1.00 0.00 O ATOM 1622 OXT GLY A 104 -14.658 15.708 1.126 1.00 0.00 O ATOM 0 H GLY A 104 -17.058 18.588 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -17.210 15.771 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.624 16.725 -0.585 1.00 0.00 H new TER 1626 GLY A 104