USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 74 ASN :FLIP amide:sc= -1.71 F(o=-3.6!,f=-2.2) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.477 F(o=-3.7,f=-2.2) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= -0.534 (180deg=-0.681) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -3.22 (180deg=-4.62!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0.0604 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= 0.239 USER MOD Single : A 42 SER OG : rot 87:sc= -0.227 USER MOD Single : A 46 THR OG1 : rot -178:sc= -1.73! USER MOD Single : A 51 ASN : amide:sc= -0.535 K(o=-0.54,f=-1.2!) USER MOD Single : A 52 MET CE :methyl -174:sc= -5.18! (180deg=-5.4!) USER MOD Single : A 53 MET CE :methyl 176:sc= -5.78! (180deg=-5.91!) USER MOD Single : A 54 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.0069) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 121:sc= -0.486 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.19) USER MOD Single : A 69 GLN : amide:sc= -7.16 K(o=-7.2,f=-18!) USER MOD Single : A 71 MET CE :methyl 178:sc= -11! (180deg=-11.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.141 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 86 CYS SG : rot 91:sc= -1.98! USER MOD Single : A 87 GLN : amide:sc= -7.52! C(o=-7.5!,f=-15!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.356 (180deg=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.06) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0023) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.212 F(o=-1.2,f=-0.21) USER MOD Single : B -1 TYR OH : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.499 -9.592 -8.981 1.00 0.00 N ATOM 2 CA GLU A 17 -14.722 -9.124 -10.122 1.00 0.00 C ATOM 3 C GLU A 17 -13.808 -7.968 -9.726 1.00 0.00 C ATOM 4 O GLU A 17 -14.261 -6.964 -9.176 1.00 0.00 O ATOM 5 CB GLU A 17 -15.653 -8.687 -11.254 1.00 0.00 C ATOM 6 CG GLU A 17 -16.642 -7.607 -10.847 1.00 0.00 C ATOM 7 CD GLU A 17 -16.661 -6.437 -11.810 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.587 -6.675 -13.035 1.00 0.00 O ATOM 9 OE2 GLU A 17 -16.750 -5.283 -11.341 1.00 0.00 O ATOM 0 HA GLU A 17 -14.101 -9.950 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.052 -8.322 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.204 -9.555 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.641 -8.039 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.390 -7.247 -9.849 1.00 0.00 H new ATOM 16 N PHE A 18 -12.519 -8.118 -10.012 1.00 0.00 N ATOM 17 CA PHE A 18 -11.535 -7.088 -9.691 1.00 0.00 C ATOM 18 C PHE A 18 -11.880 -5.776 -10.387 1.00 0.00 C ATOM 19 O PHE A 18 -12.534 -5.770 -11.430 1.00 0.00 O ATOM 20 CB PHE A 18 -10.138 -7.542 -10.115 1.00 0.00 C ATOM 21 CG PHE A 18 -9.344 -8.165 -9.004 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.592 -9.468 -8.606 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.343 -7.452 -8.367 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.856 -10.049 -7.593 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.605 -8.026 -7.352 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.860 -9.327 -6.964 1.00 0.00 C ATOM 0 H PHE A 18 -12.130 -8.944 -10.466 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.550 -6.928 -8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.230 -8.259 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.590 -6.685 -10.505 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.370 -10.036 -9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.137 -6.435 -8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.058 -11.066 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.828 -7.458 -6.861 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.282 -9.779 -6.171 1.00 0.00 H new ATOM 36 N LYS A 19 -11.431 -4.667 -9.810 1.00 0.00 N ATOM 37 CA LYS A 19 -11.692 -3.357 -10.389 1.00 0.00 C ATOM 38 C LYS A 19 -10.800 -2.284 -9.772 1.00 0.00 C ATOM 39 O LYS A 19 -10.773 -2.102 -8.554 1.00 0.00 O ATOM 40 CB LYS A 19 -13.162 -2.978 -10.203 1.00 0.00 C ATOM 41 CG LYS A 19 -13.618 -3.008 -8.754 1.00 0.00 C ATOM 42 CD LYS A 19 -13.956 -1.617 -8.242 1.00 0.00 C ATOM 43 CE LYS A 19 -15.104 -0.997 -9.024 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.259 -1.929 -9.150 1.00 0.00 N ATOM 0 H LYS A 19 -10.888 -4.650 -8.947 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.465 -3.416 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.325 -1.978 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.781 -3.661 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.492 -3.652 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.834 -3.443 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.222 -1.672 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.077 -0.977 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.428 -0.082 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.756 -0.715 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.062 -1.430 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.990 -2.737 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.533 -2.272 -8.207 1.00 0.00 H new ATOM 58 N ASP A 20 -10.084 -1.568 -10.632 1.00 0.00 N ATOM 59 CA ASP A 20 -9.199 -0.495 -10.194 1.00 0.00 C ATOM 60 C ASP A 20 -10.018 0.684 -9.676 1.00 0.00 C ATOM 61 O ASP A 20 -10.948 1.142 -10.341 1.00 0.00 O ATOM 62 CB ASP A 20 -8.300 -0.043 -11.346 1.00 0.00 C ATOM 63 CG ASP A 20 -6.891 -0.591 -11.228 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.185 -0.212 -10.271 1.00 0.00 O ATOM 65 OD2 ASP A 20 -6.496 -1.401 -12.093 1.00 0.00 O ATOM 0 H ASP A 20 -10.100 -1.713 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.571 -0.871 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.735 -0.367 -12.292 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.263 1.046 -11.369 1.00 0.00 H new ATOM 70 N VAL A 21 -9.675 1.166 -8.488 1.00 0.00 N ATOM 71 CA VAL A 21 -10.386 2.286 -7.887 1.00 0.00 C ATOM 72 C VAL A 21 -9.515 3.532 -7.854 1.00 0.00 C ATOM 73 O VAL A 21 -8.378 3.494 -7.387 1.00 0.00 O ATOM 74 CB VAL A 21 -10.844 1.963 -6.453 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.795 3.036 -5.945 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.498 0.590 -6.396 1.00 0.00 C ATOM 0 H VAL A 21 -8.910 0.799 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.263 2.469 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.968 1.948 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.109 2.793 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.289 4.001 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.669 3.084 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.815 0.380 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.365 0.572 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.783 -0.167 -6.717 1.00 0.00 H new ATOM 86 N PHE A 22 -10.056 4.637 -8.346 1.00 0.00 N ATOM 87 CA PHE A 22 -9.327 5.894 -8.365 1.00 0.00 C ATOM 88 C PHE A 22 -10.104 6.975 -7.624 1.00 0.00 C ATOM 89 O PHE A 22 -11.091 7.504 -8.135 1.00 0.00 O ATOM 90 CB PHE A 22 -9.061 6.333 -9.807 1.00 0.00 C ATOM 91 CG PHE A 22 -7.641 6.753 -10.049 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.592 6.033 -9.504 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.355 7.869 -10.818 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.286 6.416 -9.721 1.00 0.00 C ATOM 95 CE2 PHE A 22 -6.046 8.257 -11.038 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.012 7.526 -10.487 1.00 0.00 C ATOM 0 H PHE A 22 -10.997 4.687 -8.737 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.372 5.744 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.309 5.513 -10.480 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.725 7.161 -10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.799 5.161 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.162 8.442 -11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.477 5.845 -9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.833 9.129 -11.639 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.988 7.825 -10.657 1.00 0.00 H new ATOM 106 N ILE A 23 -9.655 7.297 -6.417 1.00 0.00 N ATOM 107 CA ILE A 23 -10.312 8.312 -5.607 1.00 0.00 C ATOM 108 C ILE A 23 -9.478 9.587 -5.541 1.00 0.00 C ATOM 109 O ILE A 23 -8.527 9.681 -4.764 1.00 0.00 O ATOM 110 CB ILE A 23 -10.576 7.798 -4.177 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.403 6.509 -4.227 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.282 8.860 -3.345 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.855 6.732 -4.602 1.00 0.00 C ATOM 0 H ILE A 23 -8.839 6.870 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.266 8.536 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.619 7.580 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.952 5.826 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.359 6.021 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.459 8.477 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.658 9.752 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.235 9.112 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.378 5.776 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.323 7.390 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.909 7.191 -5.589 1.00 0.00 H new ATOM 125 N GLU A 24 -9.845 10.567 -6.358 1.00 0.00 N ATOM 126 CA GLU A 24 -9.138 11.842 -6.393 1.00 0.00 C ATOM 127 C GLU A 24 -9.741 12.809 -5.380 1.00 0.00 C ATOM 128 O GLU A 24 -10.872 13.268 -5.543 1.00 0.00 O ATOM 129 CB GLU A 24 -9.199 12.449 -7.797 1.00 0.00 C ATOM 130 CG GLU A 24 -8.975 11.436 -8.909 1.00 0.00 C ATOM 131 CD GLU A 24 -9.246 12.011 -10.284 1.00 0.00 C ATOM 132 OE1 GLU A 24 -8.340 12.658 -10.849 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.369 11.816 -10.797 1.00 0.00 O ATOM 0 H GLU A 24 -10.630 10.503 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.094 11.665 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.171 12.921 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.448 13.235 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.947 11.076 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.622 10.574 -8.746 1.00 0.00 H new ATOM 140 N LYS A 25 -8.986 13.108 -4.329 1.00 0.00 N ATOM 141 CA LYS A 25 -9.458 14.013 -3.290 1.00 0.00 C ATOM 142 C LYS A 25 -8.380 15.018 -2.899 1.00 0.00 C ATOM 143 O LYS A 25 -7.362 15.151 -3.579 1.00 0.00 O ATOM 144 CB LYS A 25 -9.910 13.216 -2.060 1.00 0.00 C ATOM 145 CG LYS A 25 -8.767 12.613 -1.254 1.00 0.00 C ATOM 146 CD LYS A 25 -8.294 11.298 -1.850 1.00 0.00 C ATOM 147 CE LYS A 25 -7.459 10.506 -0.856 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.033 10.419 -1.274 1.00 0.00 N ATOM 0 H LYS A 25 -8.048 12.738 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.307 14.569 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.492 13.870 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.574 12.415 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.935 13.317 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.092 12.451 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.156 10.705 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.706 11.494 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.522 10.975 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.870 9.501 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.581 9.611 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.981 10.290 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.540 11.295 -1.010 1.00 0.00 H new ATOM 162 N GLN A 26 -8.613 15.718 -1.797 1.00 0.00 N ATOM 163 CA GLN A 26 -7.668 16.707 -1.302 1.00 0.00 C ATOM 164 C GLN A 26 -7.002 16.215 -0.024 1.00 0.00 C ATOM 165 O GLN A 26 -7.380 15.178 0.523 1.00 0.00 O ATOM 166 CB GLN A 26 -8.375 18.038 -1.048 1.00 0.00 C ATOM 167 CG GLN A 26 -8.438 18.939 -2.270 1.00 0.00 C ATOM 168 CD GLN A 26 -9.860 19.199 -2.732 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.434 20.251 -2.448 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.435 18.240 -3.448 1.00 0.00 N ATOM 0 H GLN A 26 -9.453 15.618 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.899 16.857 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.389 17.840 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.860 18.565 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.955 19.889 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.874 18.482 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.922 17.384 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.390 18.359 -3.786 1.00 0.00 H new ATOM 179 N LYS A 27 -6.013 16.959 0.447 1.00 0.00 N ATOM 180 CA LYS A 27 -5.299 16.591 1.662 1.00 0.00 C ATOM 181 C LYS A 27 -6.191 16.761 2.882 1.00 0.00 C ATOM 182 O LYS A 27 -7.179 17.494 2.846 1.00 0.00 O ATOM 183 CB LYS A 27 -4.033 17.433 1.821 1.00 0.00 C ATOM 184 CG LYS A 27 -3.340 17.744 0.504 1.00 0.00 C ATOM 185 CD LYS A 27 -1.827 17.644 0.626 1.00 0.00 C ATOM 186 CE LYS A 27 -1.239 16.775 -0.471 1.00 0.00 C ATOM 187 NZ LYS A 27 0.240 16.645 -0.346 1.00 0.00 N ATOM 0 H LYS A 27 -5.686 17.820 0.008 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.014 15.542 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.289 18.369 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.336 16.907 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.690 17.053 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.613 18.747 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.390 18.641 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.566 17.230 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.695 15.785 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.485 17.202 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.691 16.937 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.578 17.252 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.485 15.655 -0.142 1.00 0.00 H new ATOM 201 N GLY A 28 -5.839 16.073 3.958 1.00 0.00 N ATOM 202 CA GLY A 28 -6.619 16.154 5.173 1.00 0.00 C ATOM 203 C GLY A 28 -8.034 15.638 4.987 1.00 0.00 C ATOM 204 O GLY A 28 -8.909 15.905 5.811 1.00 0.00 O ATOM 0 H GLY A 28 -5.026 15.460 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.126 15.580 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.654 17.190 5.511 1.00 0.00 H new ATOM 208 N GLU A 29 -8.263 14.893 3.907 1.00 0.00 N ATOM 209 CA GLU A 29 -9.580 14.339 3.631 1.00 0.00 C ATOM 210 C GLU A 29 -9.487 12.838 3.420 1.00 0.00 C ATOM 211 O GLU A 29 -10.273 12.257 2.674 1.00 0.00 O ATOM 212 CB GLU A 29 -10.205 15.012 2.410 1.00 0.00 C ATOM 213 CG GLU A 29 -11.037 16.240 2.751 1.00 0.00 C ATOM 214 CD GLU A 29 -11.144 17.211 1.594 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.466 16.764 0.472 1.00 0.00 O ATOM 216 OE2 GLU A 29 -10.909 18.418 1.809 1.00 0.00 O ATOM 0 H GLU A 29 -7.553 14.661 3.212 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.221 14.531 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.413 15.300 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.834 14.290 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.037 15.925 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.594 16.748 3.607 1.00 0.00 H new ATOM 223 N ILE A 30 -8.517 12.232 4.104 1.00 0.00 N ATOM 224 CA ILE A 30 -8.263 10.784 4.053 1.00 0.00 C ATOM 225 C ILE A 30 -8.936 10.102 2.862 1.00 0.00 C ATOM 226 O ILE A 30 -8.300 9.835 1.842 1.00 0.00 O ATOM 227 CB ILE A 30 -8.716 10.084 5.353 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.781 10.905 6.077 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.528 9.834 6.267 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.816 10.048 6.760 1.00 0.00 C ATOM 0 H ILE A 30 -7.876 12.734 4.718 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.184 10.683 3.937 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.155 9.124 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.299 11.544 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.275 11.562 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.867 9.340 7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.804 9.198 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.059 10.784 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.546 10.686 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.321 9.428 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.330 9.409 7.498 1.00 0.00 H new ATOM 242 N LEU A 31 -10.222 9.825 3.013 1.00 0.00 N ATOM 243 CA LEU A 31 -11.011 9.172 1.974 1.00 0.00 C ATOM 244 C LEU A 31 -12.428 8.942 2.475 1.00 0.00 C ATOM 245 O LEU A 31 -13.404 9.228 1.782 1.00 0.00 O ATOM 246 CB LEU A 31 -10.381 7.835 1.570 1.00 0.00 C ATOM 247 CG LEU A 31 -10.869 7.273 0.235 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.938 7.691 -0.892 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.981 5.757 0.304 1.00 0.00 C ATOM 0 H LEU A 31 -10.750 10.045 3.858 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.034 9.821 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.299 7.959 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.584 7.103 2.352 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.859 7.681 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.301 7.282 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.909 8.779 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.935 7.313 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.330 5.374 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.004 5.330 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.689 5.480 1.085 1.00 0.00 H new ATOM 261 N GLY A 32 -12.526 8.438 3.701 1.00 0.00 N ATOM 262 CA GLY A 32 -13.822 8.194 4.304 1.00 0.00 C ATOM 263 C GLY A 32 -14.377 6.806 4.034 1.00 0.00 C ATOM 264 O GLY A 32 -15.420 6.667 3.396 1.00 0.00 O ATOM 0 H GLY A 32 -11.729 8.194 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.743 8.339 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.529 8.936 3.933 1.00 0.00 H new ATOM 268 N VAL A 33 -13.702 5.779 4.543 1.00 0.00 N ATOM 269 CA VAL A 33 -14.168 4.401 4.368 1.00 0.00 C ATOM 270 C VAL A 33 -13.719 3.517 5.527 1.00 0.00 C ATOM 271 O VAL A 33 -12.746 3.821 6.211 1.00 0.00 O ATOM 272 CB VAL A 33 -13.733 3.779 3.010 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.550 4.857 1.954 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.471 2.932 3.140 1.00 0.00 C ATOM 0 H VAL A 33 -12.837 5.870 5.076 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.257 4.448 4.360 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.536 3.113 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.246 4.397 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.490 5.389 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.782 5.559 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.208 2.520 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.652 3.552 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.650 2.118 3.842 1.00 0.00 H new ATOM 284 N VAL A 34 -14.444 2.428 5.748 1.00 0.00 N ATOM 285 CA VAL A 34 -14.121 1.507 6.831 1.00 0.00 C ATOM 286 C VAL A 34 -13.851 0.107 6.305 1.00 0.00 C ATOM 287 O VAL A 34 -14.692 -0.496 5.642 1.00 0.00 O ATOM 288 CB VAL A 34 -15.247 1.444 7.872 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.804 0.655 9.095 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.679 2.848 8.261 1.00 0.00 C ATOM 0 H VAL A 34 -15.258 2.161 5.194 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.219 1.891 7.308 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.101 0.929 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.617 0.622 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.542 -0.360 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.936 1.137 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.478 2.791 9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.831 3.385 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.038 3.376 7.378 1.00 0.00 H new ATOM 300 N ILE A 35 -12.665 -0.399 6.612 1.00 0.00 N ATOM 301 CA ILE A 35 -12.256 -1.719 6.180 1.00 0.00 C ATOM 302 C ILE A 35 -12.151 -2.677 7.363 1.00 0.00 C ATOM 303 O ILE A 35 -11.722 -2.292 8.450 1.00 0.00 O ATOM 304 CB ILE A 35 -10.903 -1.661 5.460 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.847 -1.023 6.359 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.030 -0.895 4.152 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.504 -1.709 6.276 1.00 0.00 C ATOM 0 H ILE A 35 -11.965 0.095 7.165 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.018 -2.085 5.492 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.587 -2.679 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.730 0.025 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.196 -1.045 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.061 -0.863 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.754 -1.394 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.366 0.121 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.798 -1.208 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.608 -2.751 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.135 -1.664 5.251 1.00 0.00 H new ATOM 319 N VAL A 36 -12.548 -3.925 7.141 1.00 0.00 N ATOM 320 CA VAL A 36 -12.499 -4.940 8.187 1.00 0.00 C ATOM 321 C VAL A 36 -11.925 -6.247 7.652 1.00 0.00 C ATOM 322 O VAL A 36 -11.735 -6.401 6.447 1.00 0.00 O ATOM 323 CB VAL A 36 -13.898 -5.208 8.772 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.442 -3.960 9.450 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.850 -5.690 7.687 1.00 0.00 C ATOM 0 H VAL A 36 -12.907 -4.258 6.246 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.851 -4.556 8.975 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.811 -5.994 9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.431 -4.169 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.773 -3.663 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.513 -3.152 8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.833 -5.874 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.932 -4.929 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.468 -6.613 7.251 1.00 0.00 H new ATOM 335 N GLU A 37 -11.654 -7.186 8.552 1.00 0.00 N ATOM 336 CA GLU A 37 -11.105 -8.479 8.162 1.00 0.00 C ATOM 337 C GLU A 37 -12.057 -9.210 7.222 1.00 0.00 C ATOM 338 O GLU A 37 -13.266 -9.250 7.452 1.00 0.00 O ATOM 339 CB GLU A 37 -10.826 -9.334 9.398 1.00 0.00 C ATOM 340 CG GLU A 37 -9.551 -8.946 10.128 1.00 0.00 C ATOM 341 CD GLU A 37 -9.479 -9.526 11.527 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.766 -10.732 11.685 1.00 0.00 O ATOM 343 OE2 GLU A 37 -9.136 -8.775 12.464 1.00 0.00 O ATOM 0 H GLU A 37 -11.805 -7.076 9.555 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.167 -8.305 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.668 -9.251 10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.760 -10.380 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.690 -9.287 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.486 -7.859 10.186 1.00 0.00 H new ATOM 350 N SER A 38 -11.502 -9.780 6.158 1.00 0.00 N ATOM 351 CA SER A 38 -12.297 -10.503 5.171 1.00 0.00 C ATOM 352 C SER A 38 -12.723 -11.873 5.693 1.00 0.00 C ATOM 353 O SER A 38 -12.083 -12.885 5.408 1.00 0.00 O ATOM 354 CB SER A 38 -11.504 -10.657 3.872 1.00 0.00 C ATOM 355 OG SER A 38 -10.513 -11.663 3.990 1.00 0.00 O ATOM 0 H SER A 38 -10.502 -9.755 5.956 1.00 0.00 H new ATOM 0 HA SER A 38 -13.200 -9.924 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.183 -10.906 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.033 -9.708 3.616 1.00 0.00 H new ATOM 0 HG SER A 38 -10.942 -12.524 4.178 1.00 0.00 H new ATOM 361 N GLY A 39 -13.812 -11.897 6.455 1.00 0.00 N ATOM 362 CA GLY A 39 -14.308 -13.149 7.002 1.00 0.00 C ATOM 363 C GLY A 39 -15.194 -13.905 6.031 1.00 0.00 C ATOM 364 O GLY A 39 -15.556 -15.054 6.280 1.00 0.00 O ATOM 0 H GLY A 39 -14.360 -11.073 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.463 -13.778 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.868 -12.945 7.914 1.00 0.00 H new ATOM 368 N TRP A 40 -15.533 -13.262 4.918 1.00 0.00 N ATOM 369 CA TRP A 40 -16.364 -13.876 3.889 1.00 0.00 C ATOM 370 C TRP A 40 -15.747 -15.197 3.420 1.00 0.00 C ATOM 371 O TRP A 40 -14.886 -15.762 4.095 1.00 0.00 O ATOM 372 CB TRP A 40 -16.487 -12.914 2.707 1.00 0.00 C ATOM 373 CG TRP A 40 -15.174 -12.674 2.025 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.932 -12.761 2.590 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.966 -12.315 0.656 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.969 -12.491 1.655 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.576 -12.211 0.463 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.817 -12.074 -0.424 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -13.019 -11.877 -0.762 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.262 -11.739 -1.644 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.873 -11.646 -1.806 1.00 0.00 C ATOM 0 H TRP A 40 -15.242 -12.308 4.705 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.351 -14.084 4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.199 -13.317 1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.891 -11.964 3.056 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.739 -13.007 3.624 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.963 -12.498 1.821 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.888 -12.148 -0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.949 -11.802 -0.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.909 -11.546 -2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.469 -11.387 -2.773 1.00 0.00 H new ATOM 392 N GLY A 41 -16.170 -15.680 2.252 1.00 0.00 N ATOM 393 CA GLY A 41 -15.615 -16.917 1.725 1.00 0.00 C ATOM 394 C GLY A 41 -14.098 -16.912 1.750 1.00 0.00 C ATOM 395 O GLY A 41 -13.462 -17.963 1.829 1.00 0.00 O ATOM 0 H GLY A 41 -16.881 -15.241 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.985 -17.759 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.961 -17.063 0.702 1.00 0.00 H new ATOM 399 N SER A 42 -13.523 -15.711 1.691 1.00 0.00 N ATOM 400 CA SER A 42 -12.077 -15.525 1.712 1.00 0.00 C ATOM 401 C SER A 42 -11.472 -15.756 0.347 1.00 0.00 C ATOM 402 O SER A 42 -10.405 -16.357 0.211 1.00 0.00 O ATOM 403 CB SER A 42 -11.405 -16.424 2.749 1.00 0.00 C ATOM 404 OG SER A 42 -12.306 -16.779 3.783 1.00 0.00 O ATOM 0 H SER A 42 -14.050 -14.840 1.627 1.00 0.00 H new ATOM 0 HA SER A 42 -11.896 -14.489 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.031 -17.326 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.543 -15.910 3.175 1.00 0.00 H new ATOM 0 HG SER A 42 -12.806 -17.580 3.520 1.00 0.00 H new ATOM 410 N ILE A 43 -12.150 -15.242 -0.660 1.00 0.00 N ATOM 411 CA ILE A 43 -11.690 -15.342 -2.023 1.00 0.00 C ATOM 412 C ILE A 43 -10.242 -14.860 -2.120 1.00 0.00 C ATOM 413 O ILE A 43 -9.402 -15.479 -2.775 1.00 0.00 O ATOM 414 CB ILE A 43 -12.592 -14.501 -2.922 1.00 0.00 C ATOM 415 CG1 ILE A 43 -14.014 -15.050 -2.873 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.071 -14.465 -4.339 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.036 -14.111 -3.463 1.00 0.00 C ATOM 0 H ILE A 43 -13.034 -14.745 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.731 -16.382 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.596 -13.475 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.049 -15.998 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.279 -15.261 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.735 -13.858 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.071 -14.032 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.031 -15.479 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -16.026 -14.562 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.028 -13.171 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.794 -13.920 -4.508 1.00 0.00 H new ATOM 429 N LEU A 44 -9.967 -13.761 -1.428 1.00 0.00 N ATOM 430 CA LEU A 44 -8.633 -13.177 -1.376 1.00 0.00 C ATOM 431 C LEU A 44 -8.459 -12.437 -0.051 1.00 0.00 C ATOM 432 O LEU A 44 -8.774 -11.252 0.053 1.00 0.00 O ATOM 433 CB LEU A 44 -8.385 -12.218 -2.549 1.00 0.00 C ATOM 434 CG LEU A 44 -9.439 -12.216 -3.659 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.711 -11.522 -3.195 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.886 -11.539 -4.905 1.00 0.00 C ATOM 0 H LEU A 44 -10.664 -13.249 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.904 -13.984 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.304 -11.206 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.421 -12.464 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.687 -13.249 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.446 -11.533 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.115 -12.045 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.485 -10.491 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.644 -11.543 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.613 -10.510 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.004 -12.078 -5.251 1.00 0.00 H new ATOM 448 N PRO A 45 -7.977 -13.136 0.989 1.00 0.00 N ATOM 449 CA PRO A 45 -7.785 -12.554 2.322 1.00 0.00 C ATOM 450 C PRO A 45 -7.112 -11.184 2.306 1.00 0.00 C ATOM 451 O PRO A 45 -5.927 -11.067 2.002 1.00 0.00 O ATOM 452 CB PRO A 45 -6.888 -13.577 3.016 1.00 0.00 C ATOM 453 CG PRO A 45 -7.248 -14.877 2.385 1.00 0.00 C ATOM 454 CD PRO A 45 -7.600 -14.563 0.955 1.00 0.00 C ATOM 0 HA PRO A 45 -8.740 -12.374 2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.833 -13.344 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.065 -13.595 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.416 -15.579 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.089 -15.341 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.756 -14.738 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.421 -15.185 0.600 1.00 0.00 H new ATOM 462 N THR A 46 -7.877 -10.153 2.665 1.00 0.00 N ATOM 463 CA THR A 46 -7.357 -8.788 2.730 1.00 0.00 C ATOM 464 C THR A 46 -8.205 -7.939 3.682 1.00 0.00 C ATOM 465 O THR A 46 -7.918 -7.871 4.879 1.00 0.00 O ATOM 466 CB THR A 46 -7.292 -8.143 1.339 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.393 -6.736 1.435 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.371 -8.613 0.392 1.00 0.00 C ATOM 0 H THR A 46 -8.862 -10.238 2.916 1.00 0.00 H new ATOM 0 HA THR A 46 -6.339 -8.836 3.117 1.00 0.00 H new ATOM 0 HB THR A 46 -6.328 -8.450 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.381 -6.345 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.256 -8.111 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.287 -9.691 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.350 -8.377 0.810 1.00 0.00 H new ATOM 476 N VAL A 47 -9.249 -7.303 3.156 1.00 0.00 N ATOM 477 CA VAL A 47 -10.133 -6.475 3.971 1.00 0.00 C ATOM 478 C VAL A 47 -11.473 -6.260 3.278 1.00 0.00 C ATOM 479 O VAL A 47 -11.621 -6.560 2.093 1.00 0.00 O ATOM 480 CB VAL A 47 -9.509 -5.102 4.293 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.656 -5.185 5.551 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.693 -4.586 3.118 1.00 0.00 C ATOM 0 H VAL A 47 -9.503 -7.345 2.169 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.285 -7.015 4.906 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.318 -4.394 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.224 -4.207 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.276 -5.497 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.856 -5.910 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.264 -3.616 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.892 -5.290 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.338 -4.481 2.245 1.00 0.00 H new ATOM 492 N ILE A 48 -12.452 -5.743 4.017 1.00 0.00 N ATOM 493 CA ILE A 48 -13.780 -5.501 3.459 1.00 0.00 C ATOM 494 C ILE A 48 -14.310 -4.122 3.826 1.00 0.00 C ATOM 495 O ILE A 48 -14.342 -3.753 4.999 1.00 0.00 O ATOM 496 CB ILE A 48 -14.822 -6.541 3.939 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.177 -7.652 4.765 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.562 -7.129 2.757 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.180 -8.443 5.576 1.00 0.00 C ATOM 0 H ILE A 48 -12.352 -5.485 4.999 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.651 -5.580 2.380 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.531 -6.021 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.642 -8.329 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.438 -7.216 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.291 -7.858 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.076 -6.334 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.852 -7.619 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.661 -9.217 6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.698 -7.776 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.905 -8.906 4.907 1.00 0.00 H new ATOM 511 N ILE A 49 -14.768 -3.378 2.823 1.00 0.00 N ATOM 512 CA ILE A 49 -15.338 -2.072 3.054 1.00 0.00 C ATOM 513 C ILE A 49 -16.674 -2.230 3.750 1.00 0.00 C ATOM 514 O ILE A 49 -17.697 -2.491 3.117 1.00 0.00 O ATOM 515 CB ILE A 49 -15.512 -1.311 1.737 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.159 -1.147 1.056 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.157 0.036 1.982 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.249 -0.512 -0.307 1.00 0.00 C ATOM 0 H ILE A 49 -14.751 -3.666 1.845 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.662 -1.496 3.685 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.169 -1.882 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.513 -0.540 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.686 -2.125 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.272 0.562 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.136 -0.107 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.528 0.625 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.250 -0.425 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.869 -1.130 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.693 0.480 -0.218 1.00 0.00 H new ATOM 530 N ALA A 50 -16.647 -2.111 5.063 1.00 0.00 N ATOM 531 CA ALA A 50 -17.839 -2.280 5.870 1.00 0.00 C ATOM 532 C ALA A 50 -18.511 -0.951 6.191 1.00 0.00 C ATOM 533 O ALA A 50 -19.538 -0.918 6.868 1.00 0.00 O ATOM 534 CB ALA A 50 -17.471 -3.025 7.137 1.00 0.00 C ATOM 0 H ALA A 50 -15.805 -1.896 5.597 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.565 -2.859 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.361 -3.158 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.059 -4.001 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.728 -2.453 7.693 1.00 0.00 H new ATOM 540 N ASN A 51 -17.945 0.147 5.698 1.00 0.00 N ATOM 541 CA ASN A 51 -18.522 1.461 5.939 1.00 0.00 C ATOM 542 C ASN A 51 -17.861 2.527 5.074 1.00 0.00 C ATOM 543 O ASN A 51 -16.762 2.329 4.556 1.00 0.00 O ATOM 544 CB ASN A 51 -18.405 1.833 7.417 1.00 0.00 C ATOM 545 CG ASN A 51 -19.756 1.908 8.104 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.718 1.270 7.677 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.833 2.692 9.173 1.00 0.00 N ATOM 0 H ASN A 51 -17.095 0.151 5.134 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.577 1.414 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.782 1.097 7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.900 2.795 7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.716 2.784 9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.009 3.203 9.491 1.00 0.00 H new ATOM 554 N MET A 52 -18.545 3.658 4.921 1.00 0.00 N ATOM 555 CA MET A 52 -18.032 4.757 4.117 1.00 0.00 C ATOM 556 C MET A 52 -18.626 6.091 4.554 1.00 0.00 C ATOM 557 O MET A 52 -19.833 6.206 4.770 1.00 0.00 O ATOM 558 CB MET A 52 -18.332 4.511 2.645 1.00 0.00 C ATOM 559 CG MET A 52 -17.255 3.705 1.937 1.00 0.00 C ATOM 560 SD MET A 52 -17.617 3.456 0.194 1.00 0.00 S ATOM 561 CE MET A 52 -19.362 3.086 0.287 1.00 0.00 C ATOM 0 H MET A 52 -19.456 3.835 5.345 1.00 0.00 H new ATOM 0 HA MET A 52 -16.953 4.805 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 52 -19.284 3.987 2.558 1.00 0.00 H new ATOM 0 HB3 MET A 52 -18.449 5.470 2.140 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.298 4.217 2.037 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.151 2.736 2.425 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.726 2.800 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.523 2.265 0.985 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.903 3.967 0.632 1.00 0.00 H new ATOM 571 N MET A 53 -17.770 7.102 4.674 1.00 0.00 N ATOM 572 CA MET A 53 -18.210 8.432 5.076 1.00 0.00 C ATOM 573 C MET A 53 -19.022 9.079 3.962 1.00 0.00 C ATOM 574 O MET A 53 -18.463 9.664 3.035 1.00 0.00 O ATOM 575 CB MET A 53 -17.007 9.313 5.420 1.00 0.00 C ATOM 576 CG MET A 53 -16.244 8.856 6.654 1.00 0.00 C ATOM 577 SD MET A 53 -15.513 10.229 7.566 1.00 0.00 S ATOM 578 CE MET A 53 -13.881 10.304 6.830 1.00 0.00 C ATOM 0 H MET A 53 -16.768 7.024 4.498 1.00 0.00 H new ATOM 0 HA MET A 53 -18.838 8.332 5.961 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.326 9.330 4.569 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.350 10.336 5.575 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.919 8.307 7.311 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.457 8.164 6.354 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.334 11.152 7.242 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.341 9.383 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.974 10.423 5.750 1.00 0.00 H new ATOM 588 N HIS A 54 -20.343 8.963 4.052 1.00 0.00 N ATOM 589 CA HIS A 54 -21.232 9.533 3.046 1.00 0.00 C ATOM 590 C HIS A 54 -21.064 11.045 2.958 1.00 0.00 C ATOM 591 O HIS A 54 -21.854 11.801 3.523 1.00 0.00 O ATOM 592 CB HIS A 54 -22.688 9.191 3.369 1.00 0.00 C ATOM 593 CG HIS A 54 -22.977 7.721 3.344 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.087 6.955 4.485 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.183 6.877 2.305 1.00 0.00 C ATOM 596 CE1 HIS A 54 -23.344 5.704 4.151 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.410 5.630 2.834 1.00 0.00 N ATOM 0 H HIS A 54 -20.822 8.479 4.812 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.967 9.101 2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.935 9.585 4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.338 9.693 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.171 7.136 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -23.478 4.881 4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.599 4.784 2.297 1.00 0.00 H new ATOM 606 N GLY A 55 -20.028 11.483 2.247 1.00 0.00 N ATOM 607 CA GLY A 55 -19.779 12.904 2.103 1.00 0.00 C ATOM 608 C GLY A 55 -18.391 13.187 1.573 1.00 0.00 C ATOM 609 O GLY A 55 -18.177 14.168 0.860 1.00 0.00 O ATOM 0 H GLY A 55 -19.359 10.879 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.519 13.335 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.905 13.393 3.069 1.00 0.00 H new ATOM 613 N GLY A 56 -17.449 12.318 1.916 1.00 0.00 N ATOM 614 CA GLY A 56 -16.086 12.487 1.458 1.00 0.00 C ATOM 615 C GLY A 56 -15.907 12.035 0.022 1.00 0.00 C ATOM 616 O GLY A 56 -16.887 11.806 -0.684 1.00 0.00 O ATOM 0 H GLY A 56 -17.606 11.499 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.802 13.536 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.414 11.920 2.103 1.00 0.00 H new ATOM 620 N PRO A 57 -14.656 11.896 -0.440 1.00 0.00 N ATOM 621 CA PRO A 57 -14.362 11.463 -1.810 1.00 0.00 C ATOM 622 C PRO A 57 -14.726 10.000 -2.052 1.00 0.00 C ATOM 623 O PRO A 57 -14.819 9.559 -3.198 1.00 0.00 O ATOM 624 CB PRO A 57 -12.853 11.666 -1.929 1.00 0.00 C ATOM 625 CG PRO A 57 -12.348 11.562 -0.534 1.00 0.00 C ATOM 626 CD PRO A 57 -13.426 12.143 0.335 1.00 0.00 C ATOM 0 HA PRO A 57 -14.941 12.022 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.401 10.910 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.617 12.637 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.147 10.524 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.413 12.109 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.461 11.658 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.269 13.207 0.513 1.00 0.00 H new ATOM 634 N ALA A 58 -14.926 9.248 -0.972 1.00 0.00 N ATOM 635 CA ALA A 58 -15.270 7.840 -1.080 1.00 0.00 C ATOM 636 C ALA A 58 -16.651 7.666 -1.695 1.00 0.00 C ATOM 637 O ALA A 58 -16.835 6.894 -2.636 1.00 0.00 O ATOM 638 CB ALA A 58 -15.211 7.177 0.286 1.00 0.00 C ATOM 0 H ALA A 58 -14.855 9.593 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.543 7.359 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.471 6.123 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.203 7.267 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.917 7.665 0.958 1.00 0.00 H new ATOM 644 N GLU A 59 -17.620 8.396 -1.157 1.00 0.00 N ATOM 645 CA GLU A 59 -18.991 8.336 -1.648 1.00 0.00 C ATOM 646 C GLU A 59 -19.136 9.136 -2.938 1.00 0.00 C ATOM 647 O GLU A 59 -19.851 8.733 -3.856 1.00 0.00 O ATOM 648 CB GLU A 59 -19.956 8.875 -0.590 1.00 0.00 C ATOM 649 CG GLU A 59 -21.286 8.141 -0.549 1.00 0.00 C ATOM 650 CD GLU A 59 -22.300 8.720 -1.516 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.144 9.895 -1.909 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.251 7.997 -1.882 1.00 0.00 O ATOM 0 H GLU A 59 -17.481 9.039 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.235 7.294 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.483 8.807 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.140 9.932 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.124 7.089 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.689 8.183 0.463 1.00 0.00 H new ATOM 659 N LYS A 60 -18.454 10.277 -2.997 1.00 0.00 N ATOM 660 CA LYS A 60 -18.505 11.145 -4.166 1.00 0.00 C ATOM 661 C LYS A 60 -18.069 10.401 -5.425 1.00 0.00 C ATOM 662 O LYS A 60 -18.730 10.474 -6.461 1.00 0.00 O ATOM 663 CB LYS A 60 -17.615 12.371 -3.953 1.00 0.00 C ATOM 664 CG LYS A 60 -18.352 13.560 -3.361 1.00 0.00 C ATOM 665 CD LYS A 60 -17.612 14.860 -3.629 1.00 0.00 C ATOM 666 CE LYS A 60 -18.572 16.032 -3.759 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.887 17.258 -4.254 1.00 0.00 N ATOM 0 H LYS A 60 -17.858 10.621 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.538 11.468 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.790 12.101 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.178 12.663 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.355 13.616 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.467 13.420 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.909 15.053 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.027 14.765 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.379 15.766 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.028 16.237 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.575 18.034 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.133 17.527 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.473 17.071 -5.190 1.00 0.00 H new ATOM 681 N SER A 61 -16.954 9.687 -5.328 1.00 0.00 N ATOM 682 CA SER A 61 -16.429 8.931 -6.459 1.00 0.00 C ATOM 683 C SER A 61 -17.440 7.901 -6.944 1.00 0.00 C ATOM 684 O SER A 61 -17.984 8.018 -8.043 1.00 0.00 O ATOM 685 CB SER A 61 -15.121 8.235 -6.070 1.00 0.00 C ATOM 686 OG SER A 61 -14.001 9.043 -6.381 1.00 0.00 O ATOM 0 H SER A 61 -16.396 9.616 -4.477 1.00 0.00 H new ATOM 0 HA SER A 61 -16.234 9.631 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.127 8.012 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.043 7.282 -6.594 1.00 0.00 H new ATOM 0 HG SER A 61 -13.491 9.224 -5.564 1.00 0.00 H new ATOM 692 N GLY A 62 -17.682 6.885 -6.124 1.00 0.00 N ATOM 693 CA GLY A 62 -18.622 5.843 -6.491 1.00 0.00 C ATOM 694 C GLY A 62 -17.926 4.542 -6.841 1.00 0.00 C ATOM 695 O GLY A 62 -18.572 3.507 -7.001 1.00 0.00 O ATOM 0 H GLY A 62 -17.244 6.764 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.314 5.673 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.217 6.175 -7.342 1.00 0.00 H new ATOM 699 N LYS A 63 -16.602 4.597 -6.955 1.00 0.00 N ATOM 700 CA LYS A 63 -15.812 3.419 -7.283 1.00 0.00 C ATOM 701 C LYS A 63 -15.758 2.464 -6.095 1.00 0.00 C ATOM 702 O LYS A 63 -15.654 1.249 -6.264 1.00 0.00 O ATOM 703 CB LYS A 63 -14.394 3.830 -7.688 1.00 0.00 C ATOM 704 CG LYS A 63 -14.347 5.002 -8.657 1.00 0.00 C ATOM 705 CD LYS A 63 -14.520 4.543 -10.095 1.00 0.00 C ATOM 706 CE LYS A 63 -13.308 3.763 -10.578 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.380 3.472 -12.038 1.00 0.00 N ATOM 0 H LYS A 63 -16.055 5.448 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.286 2.908 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.831 4.089 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.894 2.975 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.131 5.716 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.396 5.524 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.411 3.920 -10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.677 5.409 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.402 4.331 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.235 2.827 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.535 2.939 -12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.231 2.908 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.424 4.366 -12.568 1.00 0.00 H new ATOM 721 N LEU A 64 -15.831 3.026 -4.891 1.00 0.00 N ATOM 722 CA LEU A 64 -15.793 2.229 -3.671 1.00 0.00 C ATOM 723 C LEU A 64 -17.188 2.080 -3.077 1.00 0.00 C ATOM 724 O LEU A 64 -17.907 3.063 -2.902 1.00 0.00 O ATOM 725 CB LEU A 64 -14.857 2.871 -2.645 1.00 0.00 C ATOM 726 CG LEU A 64 -13.400 2.994 -3.087 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.638 3.934 -2.166 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.739 1.624 -3.121 1.00 0.00 C ATOM 0 H LEU A 64 -15.917 4.030 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.417 1.238 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.233 3.865 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.894 2.286 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.379 3.412 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.602 4.008 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.099 4.921 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.666 3.547 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.701 1.728 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.772 1.179 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.270 0.981 -3.823 1.00 0.00 H new ATOM 740 N ASN A 65 -17.563 0.845 -2.769 1.00 0.00 N ATOM 741 CA ASN A 65 -18.871 0.565 -2.192 1.00 0.00 C ATOM 742 C ASN A 65 -18.776 -0.545 -1.156 1.00 0.00 C ATOM 743 O ASN A 65 -18.079 -1.540 -1.359 1.00 0.00 O ATOM 744 CB ASN A 65 -19.865 0.175 -3.287 1.00 0.00 C ATOM 745 CG ASN A 65 -20.113 1.304 -4.270 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.627 2.361 -3.901 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.749 1.085 -5.528 1.00 0.00 N ATOM 0 H ASN A 65 -16.979 0.021 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.226 1.470 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.487 -0.695 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.809 -0.119 -2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.892 1.808 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.327 0.194 -5.789 1.00 0.00 H new ATOM 754 N ILE A 66 -19.479 -0.367 -0.042 1.00 0.00 N ATOM 755 CA ILE A 66 -19.475 -1.350 1.031 1.00 0.00 C ATOM 756 C ILE A 66 -19.674 -2.764 0.486 1.00 0.00 C ATOM 757 O ILE A 66 -20.465 -2.982 -0.432 1.00 0.00 O ATOM 758 CB ILE A 66 -20.564 -1.033 2.078 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.133 0.166 2.922 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.833 -2.243 2.967 1.00 0.00 C ATOM 761 CD1 ILE A 66 -20.960 0.347 4.167 1.00 0.00 C ATOM 0 H ILE A 66 -20.060 0.452 0.140 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.499 -1.298 1.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.490 -0.789 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.087 0.046 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.198 1.070 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.604 -1.994 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.170 -3.078 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.917 -2.522 3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.601 1.215 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -22.004 0.498 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.875 -0.542 4.793 1.00 0.00 H new ATOM 773 N GLY A 67 -18.946 -3.717 1.056 1.00 0.00 N ATOM 774 CA GLY A 67 -19.051 -5.095 0.614 1.00 0.00 C ATOM 775 C GLY A 67 -18.012 -5.452 -0.431 1.00 0.00 C ATOM 776 O GLY A 67 -18.143 -6.460 -1.125 1.00 0.00 O ATOM 0 H GLY A 67 -18.285 -3.560 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -18.940 -5.758 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.047 -5.267 0.205 1.00 0.00 H new ATOM 780 N ASP A 68 -16.976 -4.625 -0.544 1.00 0.00 N ATOM 781 CA ASP A 68 -15.911 -4.863 -1.511 1.00 0.00 C ATOM 782 C ASP A 68 -14.608 -5.216 -0.803 1.00 0.00 C ATOM 783 O ASP A 68 -14.416 -4.881 0.367 1.00 0.00 O ATOM 784 CB ASP A 68 -15.709 -3.630 -2.393 1.00 0.00 C ATOM 785 CG ASP A 68 -16.928 -3.320 -3.240 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.056 -3.591 -2.779 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.755 -2.804 -4.364 1.00 0.00 O ATOM 0 H ASP A 68 -16.852 -3.785 0.022 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.203 -5.704 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.479 -2.770 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.849 -3.789 -3.043 1.00 0.00 H new ATOM 792 N GLN A 69 -13.716 -5.894 -1.515 1.00 0.00 N ATOM 793 CA GLN A 69 -12.433 -6.292 -0.947 1.00 0.00 C ATOM 794 C GLN A 69 -11.283 -5.549 -1.623 1.00 0.00 C ATOM 795 O GLN A 69 -11.065 -5.692 -2.826 1.00 0.00 O ATOM 796 CB GLN A 69 -12.234 -7.801 -1.090 1.00 0.00 C ATOM 797 CG GLN A 69 -13.093 -8.618 -0.138 1.00 0.00 C ATOM 798 CD GLN A 69 -12.310 -9.146 1.045 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.616 -8.832 2.195 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.294 -9.956 0.770 1.00 0.00 N ATOM 0 H GLN A 69 -13.856 -6.179 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.437 -6.032 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.462 -8.094 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.185 -8.039 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.917 -8.002 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.534 -9.455 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.076 -10.190 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.732 -10.344 1.527 1.00 0.00 H new ATOM 809 N ILE A 70 -10.553 -4.756 -0.844 1.00 0.00 N ATOM 810 CA ILE A 70 -9.429 -3.990 -1.371 1.00 0.00 C ATOM 811 C ILE A 70 -8.124 -4.767 -1.244 1.00 0.00 C ATOM 812 O ILE A 70 -7.599 -4.939 -0.145 1.00 0.00 O ATOM 813 CB ILE A 70 -9.277 -2.639 -0.648 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.632 -1.930 -0.542 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.260 -1.763 -1.369 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.977 -1.497 0.866 1.00 0.00 C ATOM 0 H ILE A 70 -10.720 -4.627 0.154 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.642 -3.808 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.912 -2.824 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.627 -1.055 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.412 -2.597 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.164 -0.812 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.294 -2.267 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.594 -1.583 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.948 -1.002 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.014 -2.371 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.217 -0.805 1.230 1.00 0.00 H new ATOM 828 N MET A 71 -7.605 -5.239 -2.374 1.00 0.00 N ATOM 829 CA MET A 71 -6.362 -6.003 -2.384 1.00 0.00 C ATOM 830 C MET A 71 -5.168 -5.143 -1.987 1.00 0.00 C ATOM 831 O MET A 71 -4.558 -5.355 -0.939 1.00 0.00 O ATOM 832 CB MET A 71 -6.112 -6.606 -3.767 1.00 0.00 C ATOM 833 CG MET A 71 -7.103 -7.689 -4.161 1.00 0.00 C ATOM 834 SD MET A 71 -7.304 -8.952 -2.892 1.00 0.00 S ATOM 835 CE MET A 71 -9.085 -8.964 -2.714 1.00 0.00 C ATOM 0 H MET A 71 -8.026 -5.106 -3.294 1.00 0.00 H new ATOM 0 HA MET A 71 -6.471 -6.802 -1.650 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.146 -5.809 -4.510 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.105 -7.023 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.071 -7.231 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.770 -8.160 -5.086 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.373 -9.723 -1.986 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.423 -7.986 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.545 -9.190 -3.676 1.00 0.00 H new ATOM 845 N SER A 72 -4.828 -4.183 -2.840 1.00 0.00 N ATOM 846 CA SER A 72 -3.693 -3.307 -2.582 1.00 0.00 C ATOM 847 C SER A 72 -4.065 -1.842 -2.785 1.00 0.00 C ATOM 848 O SER A 72 -4.998 -1.523 -3.519 1.00 0.00 O ATOM 849 CB SER A 72 -2.528 -3.674 -3.503 1.00 0.00 C ATOM 850 OG SER A 72 -2.770 -3.238 -4.830 1.00 0.00 O ATOM 0 H SER A 72 -5.320 -3.993 -3.713 1.00 0.00 H new ATOM 0 HA SER A 72 -3.395 -3.443 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.609 -3.222 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.379 -4.754 -3.493 1.00 0.00 H new ATOM 0 HG SER A 72 -2.010 -3.483 -5.398 1.00 0.00 H new ATOM 856 N ILE A 73 -3.319 -0.959 -2.132 1.00 0.00 N ATOM 857 CA ILE A 73 -3.551 0.469 -2.238 1.00 0.00 C ATOM 858 C ILE A 73 -2.280 1.185 -2.688 1.00 0.00 C ATOM 859 O ILE A 73 -1.308 1.276 -1.939 1.00 0.00 O ATOM 860 CB ILE A 73 -4.025 1.052 -0.891 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.383 0.458 -0.506 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.105 2.568 -0.965 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.382 -0.219 0.848 1.00 0.00 C ATOM 0 H ILE A 73 -2.544 -1.214 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.333 0.626 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.300 0.786 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.131 1.251 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.683 -0.265 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.441 2.962 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.121 2.973 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.811 2.858 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.375 -0.617 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.658 -1.033 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.113 0.505 1.617 1.00 0.00 H new ATOM 875 N ASN A 74 -2.296 1.683 -3.919 1.00 0.00 N ATOM 876 CA ASN A 74 -1.147 2.386 -4.480 1.00 0.00 C ATOM 877 C ASN A 74 0.051 1.449 -4.616 1.00 0.00 C ATOM 878 O ASN A 74 1.200 1.882 -4.548 1.00 0.00 O ATOM 879 CB ASN A 74 -0.773 3.588 -3.609 1.00 0.00 C ATOM 880 CG ASN A 74 -1.883 4.616 -3.539 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.471 4.773 -2.360 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 -2.211 5.263 -4.534 1.00 0.00 N flip ATOM 0 H ASN A 74 -3.094 1.613 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.424 2.742 -5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.535 3.244 -2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.128 4.056 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.732 5.111 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.961 5.951 -4.470 1.00 0.00 H new ATOM 889 N GLY A 75 -0.229 0.165 -4.816 1.00 0.00 N ATOM 890 CA GLY A 75 0.836 -0.811 -4.963 1.00 0.00 C ATOM 891 C GLY A 75 1.075 -1.619 -3.702 1.00 0.00 C ATOM 892 O GLY A 75 1.669 -2.697 -3.754 1.00 0.00 O ATOM 0 H GLY A 75 -1.173 -0.217 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.591 -1.488 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.757 -0.297 -5.239 1.00 0.00 H new ATOM 896 N THR A 76 0.618 -1.102 -2.565 1.00 0.00 N ATOM 897 CA THR A 76 0.795 -1.788 -1.292 1.00 0.00 C ATOM 898 C THR A 76 -0.202 -2.931 -1.135 1.00 0.00 C ATOM 899 O THR A 76 -1.336 -2.722 -0.705 1.00 0.00 O ATOM 900 CB THR A 76 0.642 -0.813 -0.130 1.00 0.00 C ATOM 901 OG1 THR A 76 1.411 0.358 -0.349 1.00 0.00 O ATOM 902 CG2 THR A 76 1.061 -1.398 1.202 1.00 0.00 C ATOM 0 H THR A 76 0.124 -0.212 -2.501 1.00 0.00 H new ATOM 0 HA THR A 76 1.803 -2.203 -1.282 1.00 0.00 H new ATOM 0 HB THR A 76 -0.422 -0.581 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.297 0.970 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.927 -0.652 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.449 -2.272 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.110 -1.692 1.157 1.00 0.00 H new ATOM 910 N SER A 77 0.232 -4.139 -1.473 1.00 0.00 N ATOM 911 CA SER A 77 -0.621 -5.314 -1.355 1.00 0.00 C ATOM 912 C SER A 77 -0.712 -5.755 0.099 1.00 0.00 C ATOM 913 O SER A 77 0.304 -5.868 0.784 1.00 0.00 O ATOM 914 CB SER A 77 -0.082 -6.456 -2.218 1.00 0.00 C ATOM 915 OG SER A 77 1.083 -7.023 -1.645 1.00 0.00 O ATOM 0 H SER A 77 1.168 -4.330 -1.830 1.00 0.00 H new ATOM 0 HA SER A 77 -1.619 -5.053 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.847 -7.224 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.144 -6.085 -3.218 1.00 0.00 H new ATOM 0 HG SER A 77 1.406 -7.752 -2.215 1.00 0.00 H new ATOM 921 N LEU A 78 -1.930 -5.997 0.573 1.00 0.00 N ATOM 922 CA LEU A 78 -2.131 -6.420 1.953 1.00 0.00 C ATOM 923 C LEU A 78 -2.938 -7.710 2.023 1.00 0.00 C ATOM 924 O LEU A 78 -3.503 -8.042 3.065 1.00 0.00 O ATOM 925 CB LEU A 78 -2.820 -5.319 2.768 1.00 0.00 C ATOM 926 CG LEU A 78 -3.692 -4.345 1.970 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.153 -4.764 2.031 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.520 -2.926 2.497 1.00 0.00 C ATOM 0 H LEU A 78 -2.786 -5.908 0.026 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.148 -6.609 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.440 -5.791 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.054 -4.746 3.290 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.372 -4.368 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.757 -4.060 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.263 -5.763 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.487 -4.769 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.146 -2.245 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.815 -2.889 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.476 -2.627 2.403 1.00 0.00 H new ATOM 940 N VAL A 79 -2.984 -8.439 0.913 1.00 0.00 N ATOM 941 CA VAL A 79 -3.717 -9.696 0.863 1.00 0.00 C ATOM 942 C VAL A 79 -3.159 -10.690 1.875 1.00 0.00 C ATOM 943 O VAL A 79 -2.279 -11.490 1.555 1.00 0.00 O ATOM 944 CB VAL A 79 -3.661 -10.324 -0.543 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.574 -11.539 -0.623 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.032 -9.297 -1.602 1.00 0.00 C ATOM 0 H VAL A 79 -2.524 -8.181 0.040 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.755 -9.471 1.108 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.640 -10.654 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.521 -11.969 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.256 -12.282 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.600 -11.238 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.987 -9.759 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.043 -8.933 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.333 -8.462 -1.560 1.00 0.00 H new ATOM 956 N GLY A 80 -3.676 -10.636 3.100 1.00 0.00 N ATOM 957 CA GLY A 80 -3.213 -11.536 4.140 1.00 0.00 C ATOM 958 C GLY A 80 -2.925 -10.823 5.449 1.00 0.00 C ATOM 959 O GLY A 80 -2.968 -11.435 6.516 1.00 0.00 O ATOM 0 H GLY A 80 -4.406 -9.986 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.965 -12.306 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.309 -12.042 3.801 1.00 0.00 H new ATOM 963 N LEU A 81 -2.631 -9.528 5.369 1.00 0.00 N ATOM 964 CA LEU A 81 -2.336 -8.738 6.562 1.00 0.00 C ATOM 965 C LEU A 81 -3.597 -8.523 7.394 1.00 0.00 C ATOM 966 O LEU A 81 -4.710 -8.563 6.870 1.00 0.00 O ATOM 967 CB LEU A 81 -1.734 -7.379 6.183 1.00 0.00 C ATOM 968 CG LEU A 81 -0.890 -7.362 4.908 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.239 -6.000 4.720 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.164 -8.457 4.947 1.00 0.00 C ATOM 0 H LEU A 81 -2.591 -9.005 4.494 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.609 -9.294 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.546 -6.661 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.116 -7.032 7.011 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.547 -7.551 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.358 -6.005 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.012 -5.235 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.404 -5.783 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.753 -8.427 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.819 -8.302 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.323 -9.428 5.034 1.00 0.00 H new ATOM 982 N PRO A 82 -3.438 -8.283 8.707 1.00 0.00 N ATOM 983 CA PRO A 82 -4.573 -8.053 9.608 1.00 0.00 C ATOM 984 C PRO A 82 -5.295 -6.748 9.291 1.00 0.00 C ATOM 985 O PRO A 82 -4.985 -6.083 8.302 1.00 0.00 O ATOM 986 CB PRO A 82 -3.926 -7.986 10.994 1.00 0.00 C ATOM 987 CG PRO A 82 -2.512 -7.595 10.737 1.00 0.00 C ATOM 988 CD PRO A 82 -2.147 -8.209 9.414 1.00 0.00 C ATOM 0 HA PRO A 82 -5.331 -8.832 9.521 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.428 -7.257 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.984 -8.948 11.504 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.406 -6.511 10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.857 -7.957 11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.426 -7.597 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.699 -9.195 9.538 1.00 0.00 H new ATOM 996 N LEU A 83 -6.259 -6.384 10.131 1.00 0.00 N ATOM 997 CA LEU A 83 -7.019 -5.157 9.928 1.00 0.00 C ATOM 998 C LEU A 83 -6.219 -3.939 10.373 1.00 0.00 C ATOM 999 O LEU A 83 -6.138 -2.945 9.653 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.350 -5.220 10.682 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.096 -3.888 10.804 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.225 -3.220 9.442 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.466 -4.099 11.428 1.00 0.00 C ATOM 0 H LEU A 83 -6.531 -6.919 10.955 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.223 -5.061 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.000 -5.937 10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.163 -5.606 11.684 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.520 -3.230 11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.758 -2.275 9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.232 -3.032 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.778 -3.874 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.981 -3.142 11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.050 -4.775 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.350 -4.532 12.422 1.00 0.00 H new ATOM 1015 N SER A 84 -5.626 -4.015 11.559 1.00 0.00 N ATOM 1016 CA SER A 84 -4.832 -2.908 12.081 1.00 0.00 C ATOM 1017 C SER A 84 -3.771 -2.495 11.067 1.00 0.00 C ATOM 1018 O SER A 84 -3.551 -1.306 10.824 1.00 0.00 O ATOM 1019 CB SER A 84 -4.170 -3.302 13.403 1.00 0.00 C ATOM 1020 OG SER A 84 -3.055 -4.150 13.183 1.00 0.00 O ATOM 0 H SER A 84 -5.679 -4.827 12.175 1.00 0.00 H new ATOM 0 HA SER A 84 -5.495 -2.062 12.261 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.850 -2.406 13.934 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.896 -3.808 14.040 1.00 0.00 H new ATOM 0 HG SER A 84 -2.649 -4.386 14.043 1.00 0.00 H new ATOM 1026 N THR A 85 -3.125 -3.490 10.472 1.00 0.00 N ATOM 1027 CA THR A 85 -2.095 -3.242 9.476 1.00 0.00 C ATOM 1028 C THR A 85 -2.687 -2.581 8.236 1.00 0.00 C ATOM 1029 O THR A 85 -2.201 -1.543 7.790 1.00 0.00 O ATOM 1030 CB THR A 85 -1.399 -4.548 9.098 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.739 -5.112 10.218 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.373 -4.388 7.995 1.00 0.00 C ATOM 0 H THR A 85 -3.298 -4.477 10.663 1.00 0.00 H new ATOM 0 HA THR A 85 -1.360 -2.563 9.907 1.00 0.00 H new ATOM 0 HB THR A 85 -2.195 -5.200 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.302 -5.948 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.082 -5.355 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.860 -4.006 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.399 -3.688 8.315 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.739 -3.183 7.683 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.387 -2.643 6.492 1.00 0.00 C ATOM 1042 C CYS A 86 -4.843 -1.207 6.725 1.00 0.00 C ATOM 1043 O CYS A 86 -4.548 -0.314 5.929 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.578 -3.515 6.090 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.119 -5.165 5.511 1.00 0.00 S ATOM 0 H CYS A 86 -4.158 -4.042 8.040 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.659 -2.645 5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.247 -3.614 6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.138 -3.008 5.304 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.114 -5.991 6.515 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.556 -0.984 7.827 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.037 0.351 8.163 1.00 0.00 C ATOM 1053 C GLN A 87 -4.895 1.355 8.077 1.00 0.00 C ATOM 1054 O GLN A 87 -5.045 2.436 7.508 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.643 0.365 9.567 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.119 0.000 9.593 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.650 -0.176 11.001 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.659 0.421 11.376 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.971 -0.999 11.791 1.00 0.00 N ATOM 0 H GLN A 87 -5.812 -1.708 8.499 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.811 0.631 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.093 -0.332 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.514 1.357 10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.691 0.778 9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.271 -0.923 9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.140 -1.474 11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.281 -1.157 12.750 1.00 0.00 H new ATOM 1068 N SER A 88 -3.750 0.978 8.635 1.00 0.00 N ATOM 1069 CA SER A 88 -2.574 1.832 8.611 1.00 0.00 C ATOM 1070 C SER A 88 -2.153 2.123 7.172 1.00 0.00 C ATOM 1071 O SER A 88 -1.703 3.225 6.853 1.00 0.00 O ATOM 1072 CB SER A 88 -1.420 1.174 9.370 1.00 0.00 C ATOM 1073 OG SER A 88 -0.247 1.967 9.304 1.00 0.00 O ATOM 0 H SER A 88 -3.614 0.085 9.109 1.00 0.00 H new ATOM 0 HA SER A 88 -2.825 2.773 9.100 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.704 1.025 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.220 0.188 8.950 1.00 0.00 H new ATOM 0 HG SER A 88 0.475 1.525 9.798 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.317 1.125 6.304 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.961 1.271 4.896 1.00 0.00 C ATOM 1081 C ILE A 89 -2.731 2.426 4.270 1.00 0.00 C ATOM 1082 O ILE A 89 -2.153 3.286 3.607 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.266 -0.013 4.095 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.631 -1.236 4.767 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.784 0.126 2.657 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.149 -1.383 4.503 1.00 0.00 C ATOM 0 H ILE A 89 -2.693 0.210 6.552 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.889 1.467 4.857 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.346 -0.159 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.793 -1.172 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.142 -2.134 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.008 -0.789 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.291 0.967 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.708 0.300 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.225 -2.271 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.022 -1.481 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.376 -0.503 4.875 1.00 0.00 H new ATOM 1098 N ILE A 90 -4.039 2.436 4.493 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.895 3.475 3.963 1.00 0.00 C ATOM 1100 C ILE A 90 -4.695 4.787 4.711 1.00 0.00 C ATOM 1101 O ILE A 90 -4.644 5.858 4.108 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.367 3.060 4.062 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.590 1.710 3.377 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.243 4.124 3.448 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -8.014 1.209 3.480 1.00 0.00 C ATOM 0 H ILE A 90 -4.527 1.728 5.042 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.625 3.620 2.917 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.635 2.953 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.319 1.796 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.921 0.972 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.288 3.822 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.099 5.065 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.976 4.254 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.099 0.248 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.283 1.090 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.687 1.927 3.012 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.586 4.697 6.032 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.394 5.879 6.862 1.00 0.00 C ATOM 1119 C LYS A 91 -3.177 6.669 6.401 1.00 0.00 C ATOM 1120 O LYS A 91 -3.093 7.880 6.600 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.239 5.482 8.331 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.563 5.344 9.066 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.543 4.179 10.042 1.00 0.00 C ATOM 1124 CE LYS A 91 -5.357 4.654 11.473 1.00 0.00 C ATOM 1125 NZ LYS A 91 -6.339 5.710 11.840 1.00 0.00 N ATOM 0 H LYS A 91 -4.627 3.819 6.550 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.276 6.512 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.701 4.536 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.627 6.228 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.779 6.267 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.367 5.201 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.475 3.620 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.737 3.495 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.462 3.808 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.345 5.040 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.569 5.634 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.930 6.647 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.206 5.588 11.278 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.243 5.971 5.772 1.00 0.00 N ATOM 1140 CA GLY A 92 -1.043 6.617 5.271 1.00 0.00 C ATOM 1141 C GLY A 92 -1.332 7.557 4.114 1.00 0.00 C ATOM 1142 O GLY A 92 -0.502 8.400 3.771 1.00 0.00 O ATOM 0 H GLY A 92 -2.293 4.967 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.569 7.175 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.332 5.857 4.949 1.00 0.00 H new ATOM 1146 N LEU A 93 -2.511 7.413 3.509 1.00 0.00 N ATOM 1147 CA LEU A 93 -2.905 8.259 2.385 1.00 0.00 C ATOM 1148 C LEU A 93 -3.702 9.467 2.868 1.00 0.00 C ATOM 1149 O LEU A 93 -4.738 9.811 2.296 1.00 0.00 O ATOM 1150 CB LEU A 93 -3.740 7.462 1.375 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.432 5.965 1.301 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.433 5.257 0.401 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.012 5.737 0.806 1.00 0.00 C ATOM 0 H LEU A 93 -3.208 6.719 3.779 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.995 8.609 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.794 7.586 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.592 7.895 0.386 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.518 5.546 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.198 4.193 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.439 5.391 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.381 5.678 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.810 4.667 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.899 6.171 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.308 6.210 1.491 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.218 10.109 3.926 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.892 11.275 4.485 1.00 0.00 C ATOM 1167 C LYS A 94 -3.518 12.545 3.726 1.00 0.00 C ATOM 1168 O LYS A 94 -4.287 13.505 3.691 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.540 11.430 5.967 1.00 0.00 C ATOM 1170 CG LYS A 94 -4.734 11.775 6.841 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.823 13.271 7.101 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.465 13.608 8.541 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.838 15.007 8.892 1.00 0.00 N ATOM 0 H LYS A 94 -2.363 9.842 4.413 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.967 11.122 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.094 10.502 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.785 12.209 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.650 11.434 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.657 11.244 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.151 13.800 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.833 13.620 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.974 12.917 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.394 13.469 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.578 15.198 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.333 15.668 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.863 15.133 8.773 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.333 12.546 3.122 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.865 13.704 2.369 1.00 0.00 C ATOM 1189 C ASN A 95 -1.769 13.391 0.878 1.00 0.00 C ATOM 1190 O ASN A 95 -0.870 13.870 0.190 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.501 14.160 2.893 1.00 0.00 C ATOM 1192 CG ASN A 95 0.506 13.027 2.944 1.00 0.00 C ATOM 1193 OD1 ASN A 95 1.335 12.878 2.048 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.438 12.223 3.999 1.00 0.00 N ATOM 0 H ASN A 95 -1.682 11.761 3.139 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.590 14.507 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.117 14.956 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.620 14.582 3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.090 11.444 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.267 12.384 4.719 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.700 12.578 0.387 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.717 12.199 -1.018 1.00 0.00 C ATOM 1203 C GLN A 96 -3.827 12.913 -1.779 1.00 0.00 C ATOM 1204 O GLN A 96 -4.801 13.384 -1.191 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.900 10.690 -1.151 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.608 9.956 -1.439 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.795 8.782 -2.381 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.906 8.070 -2.229 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 -0.950 8.517 -3.235 1.00 0.00 N flip ATOM 0 H GLN A 96 -3.452 12.170 0.943 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.761 12.496 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.334 10.301 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.612 10.486 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.889 10.652 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.182 9.599 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.111 9.091 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.089 7.724 -3.861 1.00 0.00 H new ATOM 1218 N SER A 97 -3.674 12.968 -3.096 1.00 0.00 N ATOM 1219 CA SER A 97 -4.662 13.601 -3.960 1.00 0.00 C ATOM 1220 C SER A 97 -5.322 12.562 -4.868 1.00 0.00 C ATOM 1221 O SER A 97 -6.307 12.855 -5.548 1.00 0.00 O ATOM 1222 CB SER A 97 -4.011 14.701 -4.799 1.00 0.00 C ATOM 1223 OG SER A 97 -3.393 14.164 -5.956 1.00 0.00 O ATOM 0 H SER A 97 -2.871 12.580 -3.591 1.00 0.00 H new ATOM 0 HA SER A 97 -5.430 14.052 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.764 15.433 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.270 15.229 -4.199 1.00 0.00 H new ATOM 0 HG SER A 97 -2.986 14.888 -6.476 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.778 11.347 -4.866 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.314 10.259 -5.678 1.00 0.00 C ATOM 1231 C ARG A 98 -5.042 8.917 -5.012 1.00 0.00 C ATOM 1232 O ARG A 98 -3.939 8.667 -4.529 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.702 10.281 -7.080 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.684 9.886 -8.171 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.538 10.766 -9.400 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.579 12.188 -9.065 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.294 13.162 -9.926 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.946 12.874 -11.173 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.357 14.428 -9.538 1.00 0.00 N ATOM 0 H ARG A 98 -3.963 11.091 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.392 10.397 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.322 11.281 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.848 9.604 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.522 8.844 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.702 9.960 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.596 10.538 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.336 10.537 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.842 12.450 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.896 11.902 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.729 13.625 -11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.624 14.655 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.139 15.175 -10.197 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.055 8.057 -4.977 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.916 6.747 -4.354 1.00 0.00 C ATOM 1255 C VAL A 99 -6.234 5.620 -5.332 1.00 0.00 C ATOM 1256 O VAL A 99 -7.399 5.358 -5.638 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.830 6.609 -3.123 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.477 5.360 -2.332 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.735 7.847 -2.244 1.00 0.00 C ATOM 0 H VAL A 99 -6.977 8.243 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.875 6.665 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.859 6.514 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.134 5.280 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.602 4.481 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.441 5.422 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.388 7.730 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.706 7.976 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.042 8.723 -2.815 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.192 4.948 -5.808 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.352 3.839 -6.735 1.00 0.00 C ATOM 1271 C LYS A 100 -5.493 2.529 -5.963 1.00 0.00 C ATOM 1272 O LYS A 100 -4.501 1.975 -5.492 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.138 3.759 -7.660 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.318 2.786 -8.808 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.979 3.422 -10.147 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.230 3.702 -10.963 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.466 2.654 -11.995 1.00 0.00 N ATOM 0 H LYS A 100 -4.223 5.155 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.251 4.002 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.932 4.751 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.265 3.464 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.683 1.915 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.348 2.431 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.435 4.352 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.318 2.761 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.092 3.758 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.138 4.674 -11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.346 2.863 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.670 2.641 -12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.546 1.725 -11.534 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.721 2.046 -5.814 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.958 0.811 -5.072 1.00 0.00 C ATOM 1293 C LEU A 101 -7.514 -0.291 -5.959 1.00 0.00 C ATOM 1294 O LEU A 101 -8.568 -0.141 -6.570 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.926 1.046 -3.911 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.047 2.493 -3.434 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.474 2.986 -3.608 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.606 2.607 -1.983 1.00 0.00 C ATOM 0 H LEU A 101 -7.561 2.484 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.989 0.493 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.915 0.697 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.611 0.430 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.393 3.121 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.547 4.018 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.751 2.934 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.149 2.361 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.697 3.643 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.237 1.973 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.568 2.288 -1.892 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.816 -1.413 -5.986 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.256 -2.562 -6.764 1.00 0.00 C ATOM 1312 C ASN A 102 -8.138 -3.448 -5.898 1.00 0.00 C ATOM 1313 O ASN A 102 -7.644 -4.287 -5.145 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.056 -3.352 -7.289 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.797 -3.092 -8.760 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.853 -3.145 -9.564 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -4.663 -2.845 -9.169 1.00 0.00 N flip ATOM 0 H ASN A 102 -5.942 -1.555 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.828 -2.212 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.169 -3.087 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.229 -4.417 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -3.881 -2.814 -8.515 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.506 -2.671 -10.162 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.446 -3.233 -5.979 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.388 -3.995 -5.169 1.00 0.00 C ATOM 1326 C ILE A 103 -11.290 -4.882 -6.022 1.00 0.00 C ATOM 1327 O ILE A 103 -11.309 -4.773 -7.247 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.242 -3.052 -4.284 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.471 -2.520 -5.024 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.399 -1.883 -3.794 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.540 -2.012 -4.087 1.00 0.00 C ATOM 0 H ILE A 103 -9.876 -2.542 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.800 -4.647 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.591 -3.640 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.167 -1.715 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.886 -3.312 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.011 -1.228 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.561 -2.259 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.021 -1.323 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.388 -1.647 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.868 -2.822 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.137 -1.200 -3.482 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.038 -5.757 -5.359 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.949 -6.665 -6.047 1.00 0.00 C ATOM 1345 C VAL A 104 -14.397 -6.360 -5.681 1.00 0.00 C ATOM 1346 O VAL A 104 -14.754 -6.308 -4.503 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.642 -8.135 -5.705 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.468 -9.069 -6.576 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.157 -8.421 -5.861 1.00 0.00 C ATOM 0 H VAL A 104 -12.031 -5.857 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.805 -6.514 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.914 -8.312 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.238 -10.103 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.528 -8.881 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.231 -8.893 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.960 -9.464 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.855 -8.228 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.590 -7.776 -5.190 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.228 -6.156 -6.699 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.635 -5.852 -6.489 1.00 0.00 C ATOM 1361 C ARG A 105 -17.432 -7.126 -6.218 1.00 0.00 C ATOM 1362 O ARG A 105 -17.076 -8.206 -6.688 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.197 -5.128 -7.714 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.692 -4.877 -7.647 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.030 -3.788 -6.641 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.998 -2.457 -7.242 1.00 0.00 N ATOM 1367 CZ ARG A 105 -19.982 -1.956 -7.988 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.072 -2.673 -8.228 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -19.872 -0.737 -8.496 1.00 0.00 N ATOM 0 H ARG A 105 -14.948 -6.196 -7.679 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.724 -5.204 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.683 -4.174 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -16.977 -5.717 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.058 -4.590 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.205 -5.799 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -20.020 -3.974 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.323 -3.828 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 105 -18.174 -1.877 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -21.160 -3.613 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.822 -2.285 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -19.035 -0.183 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -20.625 -0.353 -9.067 1.00 0.00 H new TER 1383 ARG A 105 ATOM 1384 N PRO B -3 -16.892 4.130 12.957 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.760 3.307 13.396 1.00 0.00 C ATOM 1386 C PRO B -3 -14.417 3.959 13.069 1.00 0.00 C ATOM 1387 O PRO B -3 -14.347 5.164 12.829 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.942 2.011 12.603 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.657 2.430 11.368 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.577 3.546 11.786 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.561 5.066 12.725 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.557 4.230 13.724 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.748 3.160 14.476 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.982 1.550 12.369 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.519 1.278 13.167 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -15.955 2.767 10.605 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.219 1.599 10.940 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.708 4.279 10.990 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.569 3.175 12.044 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.353 3.157 13.063 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.013 3.657 12.767 1.00 0.00 C ATOM 1400 C VAL B -2 -12.015 4.587 11.553 1.00 0.00 C ATOM 1401 O VAL B -2 -11.587 5.736 11.642 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.027 2.501 12.509 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.604 3.025 12.380 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.124 1.461 13.616 1.00 0.00 C ATOM 0 H VAL B -2 -13.394 2.157 13.260 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.690 4.217 13.645 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.296 2.023 11.567 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.925 2.192 12.198 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.549 3.727 11.548 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -9.318 3.532 13.302 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.421 0.652 13.418 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.883 1.924 14.573 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -12.137 1.061 13.651 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.502 4.081 10.424 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.562 4.868 9.196 1.00 0.00 C ATOM 1416 C TYR B -1 -11.162 5.236 8.711 1.00 0.00 C ATOM 1417 O TYR B -1 -10.243 5.413 9.511 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.386 6.140 9.421 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.788 6.067 8.858 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.002 5.878 7.499 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.897 6.190 9.685 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.282 5.812 6.980 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.180 6.125 9.174 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.366 5.936 7.823 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.641 5.871 7.310 1.00 0.00 O ATOM 0 H TYR B -1 -12.861 3.130 10.334 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.043 4.260 8.430 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.444 6.339 10.491 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.866 6.984 8.967 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.155 5.781 6.836 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.755 6.339 10.745 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.432 5.664 5.921 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.032 6.222 9.831 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.291 5.975 8.036 1.00 0.00 H new ATOM 1435 N ILE B 0 -11.011 5.358 7.395 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.729 5.715 6.800 1.00 0.00 C ATOM 1437 C ILE B 0 -9.911 6.740 5.690 1.00 0.00 C ATOM 1438 O ILE B 0 -11.059 7.187 5.482 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.989 4.481 6.242 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.830 3.761 5.179 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.639 3.526 7.372 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.134 4.599 3.952 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.905 7.080 5.033 1.00 0.00 O ATOM 0 H ILE B 0 -11.763 5.214 6.720 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.123 6.148 7.596 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.070 4.824 5.767 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.305 2.858 4.867 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.770 3.443 5.630 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.117 2.659 6.967 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.996 4.033 8.091 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.553 3.200 7.869 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.732 4.015 3.252 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.688 5.490 4.248 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.201 4.895 3.473 1.00 0.00 H new TER 1455 ILE B 0