USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 836 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 32 TYR OH : rot 180:sc= 0.357 USER MOD Set 1.2: A 106 SER OG : rot -170:sc= 0.578 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.999) USER MOD Set 3.1: A 17 SER OG : rot -50:sc= -2.02 USER MOD Set 3.2: A 69 THR OG1 : rot 75:sc= 0.528 USER MOD Set 3.3: A 82 GLN :FLIP amide:sc= 0 F(o=-3.2,f=-2.2) USER MOD Set 3.4: A 84 ASN : amide:sc= -0.671 K(o=-2.2,f=-7.2!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot -150:sc= 0.358 USER MOD Set 5.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 21 SER OG : rot -32:sc= 0.252 USER MOD Single : A 1 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.065) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.7!) USER MOD Single : A 5 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.068) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 42:sc= 0.2 USER MOD Single : A 34 MET CE :methyl 156:sc= -0.427 (180deg=-0.725) USER MOD Single : A 39 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 69:sc= 1.66 USER MOD Single : A 52 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.2!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -38:sc= 0.00221 USER MOD Single : A 71 SER OG : rot 180:sc= -0.185 USER MOD Single : A 74 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.056) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -130:sc= -0.125 (180deg=-1.6) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 0:sc= -1.4 USER MOD Single : A 83 MET CE :methyl 152:sc= -2.12 (180deg=-5.96!) USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.346 USER MOD Single : A 94 TYR OH : rot -156:sc= -0.105 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 110:sc= -0.774 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.347 F(o=-2.3,f=-0.35) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 22:sc= 0.403 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 13.179 14.434 3.709 1.00 0.00 N ATOM 2 CA GLN A 1 14.278 13.646 3.094 1.00 0.00 C ATOM 3 C GLN A 1 13.754 12.744 1.981 1.00 0.00 C ATOM 4 O GLN A 1 14.098 12.920 0.812 1.00 0.00 O ATOM 5 CB GLN A 1 14.944 12.805 4.185 1.00 0.00 C ATOM 6 CG GLN A 1 16.171 12.048 3.705 1.00 0.00 C ATOM 7 CD GLN A 1 17.299 12.064 4.717 1.00 0.00 C ATOM 8 OE1 GLN A 1 17.849 11.021 5.069 1.00 0.00 O ATOM 9 NE2 GLN A 1 17.650 13.254 5.193 1.00 0.00 N ATOM 0 H1 GLN A 1 13.565 15.038 4.463 1.00 0.00 H new ATOM 0 H2 GLN A 1 12.730 15.029 2.984 1.00 0.00 H new ATOM 0 H3 GLN A 1 12.471 13.787 4.112 1.00 0.00 H new ATOM 0 HA GLN A 1 15.002 14.329 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 1 15.229 13.456 5.011 1.00 0.00 H new ATOM 0 HB3 GLN A 1 14.218 12.093 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 1 15.895 11.016 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 1 16.521 12.486 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 1 17.167 14.094 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 1 18.402 13.328 5.878 1.00 0.00 H new ATOM 20 N VAL A 2 12.920 11.779 2.353 1.00 0.00 N ATOM 21 CA VAL A 2 12.346 10.849 1.388 1.00 0.00 C ATOM 22 C VAL A 2 10.839 11.053 1.266 1.00 0.00 C ATOM 23 O VAL A 2 10.196 11.564 2.183 1.00 0.00 O ATOM 24 CB VAL A 2 12.628 9.376 1.770 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.639 8.759 0.816 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.111 9.263 3.211 1.00 0.00 C ATOM 0 H VAL A 2 12.626 11.621 3.317 1.00 0.00 H new ATOM 0 HA VAL A 2 12.822 11.057 0.430 1.00 0.00 H new ATOM 0 HB VAL A 2 11.692 8.824 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.824 7.723 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.247 8.791 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.572 9.320 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.301 8.217 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.031 9.836 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.348 9.656 3.882 1.00 0.00 H new ATOM 36 N GLN A 3 10.281 10.652 0.127 1.00 0.00 N ATOM 37 CA GLN A 3 8.850 10.794 -0.114 1.00 0.00 C ATOM 38 C GLN A 3 8.339 9.688 -1.032 1.00 0.00 C ATOM 39 O GLN A 3 9.120 8.903 -1.569 1.00 0.00 O ATOM 40 CB GLN A 3 8.548 12.162 -0.728 1.00 0.00 C ATOM 41 CG GLN A 3 8.280 13.246 0.303 1.00 0.00 C ATOM 42 CD GLN A 3 8.930 14.568 -0.057 1.00 0.00 C ATOM 43 OE1 GLN A 3 9.830 14.622 -0.895 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.474 15.643 0.576 1.00 0.00 N ATOM 0 H GLN A 3 10.798 10.227 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 3 8.337 10.712 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.389 12.465 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.682 12.073 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.204 13.390 0.402 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.649 12.917 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.726 15.551 1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.872 16.560 0.375 1.00 0.00 H new ATOM 53 N LEU A 4 7.022 9.632 -1.207 1.00 0.00 N ATOM 54 CA LEU A 4 6.405 8.622 -2.061 1.00 0.00 C ATOM 55 C LEU A 4 5.175 9.183 -2.770 1.00 0.00 C ATOM 56 O LEU A 4 4.634 10.215 -2.372 1.00 0.00 O ATOM 57 CB LEU A 4 6.016 7.395 -1.233 1.00 0.00 C ATOM 58 CG LEU A 4 7.172 6.719 -0.492 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.219 7.177 0.957 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.043 5.204 -0.569 1.00 0.00 C ATOM 0 H LEU A 4 6.361 10.274 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 4 7.133 8.327 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.262 7.692 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.551 6.663 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 4 8.105 7.010 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.047 6.685 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.360 8.257 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.283 6.917 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.874 4.741 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.102 4.895 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.061 4.890 -1.613 1.00 0.00 H new ATOM 72 N GLN A 5 4.739 8.497 -3.823 1.00 0.00 N ATOM 73 CA GLN A 5 3.574 8.927 -4.588 1.00 0.00 C ATOM 74 C GLN A 5 2.800 7.726 -5.123 1.00 0.00 C ATOM 75 O GLN A 5 3.390 6.727 -5.531 1.00 0.00 O ATOM 76 CB GLN A 5 4.005 9.829 -5.747 1.00 0.00 C ATOM 77 CG GLN A 5 2.848 10.315 -6.604 1.00 0.00 C ATOM 78 CD GLN A 5 3.043 10.012 -8.077 1.00 0.00 C ATOM 79 OE1 GLN A 5 2.823 10.868 -8.933 1.00 0.00 O ATOM 80 NE2 GLN A 5 3.458 8.787 -8.378 1.00 0.00 N ATOM 0 H GLN A 5 5.175 7.641 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 5 2.920 9.490 -3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.537 10.692 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.709 9.285 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.925 9.848 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.729 11.390 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.628 8.109 -7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.607 8.524 -9.352 1.00 0.00 H new ATOM 89 N GLU A 6 1.474 7.832 -5.118 1.00 0.00 N ATOM 90 CA GLU A 6 0.614 6.754 -5.602 1.00 0.00 C ATOM 91 C GLU A 6 0.243 6.969 -7.063 1.00 0.00 C ATOM 92 O GLU A 6 0.459 8.045 -7.621 1.00 0.00 O ATOM 93 CB GLU A 6 -0.660 6.660 -4.756 1.00 0.00 C ATOM 94 CG GLU A 6 -0.464 7.058 -3.302 1.00 0.00 C ATOM 95 CD GLU A 6 -0.743 8.528 -3.060 1.00 0.00 C ATOM 96 OE1 GLU A 6 -1.618 9.088 -3.753 1.00 0.00 O ATOM 97 OE2 GLU A 6 -0.086 9.119 -2.178 1.00 0.00 O ATOM 0 H GLU A 6 0.971 8.654 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 6 1.170 5.820 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.425 7.298 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.036 5.638 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.122 6.458 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.559 6.831 -3.001 1.00 0.00 H new ATOM 104 N SER A 7 -0.321 5.935 -7.676 1.00 0.00 N ATOM 105 CA SER A 7 -0.729 6.004 -9.073 1.00 0.00 C ATOM 106 C SER A 7 -1.587 4.799 -9.449 1.00 0.00 C ATOM 107 O SER A 7 -1.120 3.660 -9.427 1.00 0.00 O ATOM 108 CB SER A 7 0.500 6.079 -9.982 1.00 0.00 C ATOM 109 OG SER A 7 0.192 5.656 -11.299 1.00 0.00 O ATOM 0 H SER A 7 -0.506 5.038 -7.227 1.00 0.00 H new ATOM 0 HA SER A 7 -1.325 6.906 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.876 7.102 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.296 5.455 -9.574 1.00 0.00 H new ATOM 0 HG SER A 7 0.995 5.716 -11.858 1.00 0.00 H new ATOM 115 N GLY A 8 -2.844 5.060 -9.793 1.00 0.00 N ATOM 116 CA GLY A 8 -3.749 3.990 -10.169 1.00 0.00 C ATOM 117 C GLY A 8 -4.955 3.899 -9.253 1.00 0.00 C ATOM 118 O GLY A 8 -6.055 3.567 -9.696 1.00 0.00 O ATOM 0 H GLY A 8 -3.252 5.994 -9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.086 4.147 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.212 3.042 -10.152 1.00 0.00 H new ATOM 122 N GLY A 9 -4.748 4.192 -7.973 1.00 0.00 N ATOM 123 CA GLY A 9 -5.827 4.135 -7.012 1.00 0.00 C ATOM 124 C GLY A 9 -7.047 4.913 -7.453 1.00 0.00 C ATOM 125 O GLY A 9 -6.936 6.013 -7.995 1.00 0.00 O ATOM 0 H GLY A 9 -3.846 4.469 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.106 3.094 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.478 4.527 -6.057 1.00 0.00 H new ATOM 129 N GLY A 10 -8.212 4.335 -7.215 1.00 0.00 N ATOM 130 CA GLY A 10 -9.456 4.977 -7.588 1.00 0.00 C ATOM 131 C GLY A 10 -10.665 4.117 -7.282 1.00 0.00 C ATOM 132 O GLY A 10 -10.582 3.171 -6.498 1.00 0.00 O ATOM 0 H GLY A 10 -8.320 3.425 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.545 5.926 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.438 5.207 -8.653 1.00 0.00 H new ATOM 136 N LEU A 11 -11.792 4.453 -7.894 1.00 0.00 N ATOM 137 CA LEU A 11 -13.028 3.723 -7.685 1.00 0.00 C ATOM 138 C LEU A 11 -12.961 2.328 -8.298 1.00 0.00 C ATOM 139 O LEU A 11 -12.239 2.099 -9.268 1.00 0.00 O ATOM 140 CB LEU A 11 -14.195 4.500 -8.281 1.00 0.00 C ATOM 141 CG LEU A 11 -14.303 5.931 -7.769 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.040 6.926 -8.889 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.665 6.179 -7.137 1.00 0.00 C ATOM 0 H LEU A 11 -11.872 5.234 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.177 3.610 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.091 4.518 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.123 3.973 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.542 6.074 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.122 7.941 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.037 6.770 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.772 6.781 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.718 7.207 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.446 6.012 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.808 5.496 -6.300 1.00 0.00 H new ATOM 155 N VAL A 12 -13.720 1.398 -7.726 1.00 0.00 N ATOM 156 CA VAL A 12 -13.748 0.026 -8.217 1.00 0.00 C ATOM 157 C VAL A 12 -14.866 -0.773 -7.553 1.00 0.00 C ATOM 158 O VAL A 12 -14.792 -1.096 -6.367 1.00 0.00 O ATOM 159 CB VAL A 12 -12.401 -0.680 -7.978 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.079 -0.736 -6.493 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.408 -2.077 -8.585 1.00 0.00 C ATOM 0 H VAL A 12 -14.324 1.570 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.935 0.073 -9.290 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.621 -0.101 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.123 -1.239 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.021 0.277 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.862 -1.286 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.446 -2.557 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.201 -2.669 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.582 -2.006 -9.659 1.00 0.00 H new ATOM 171 N GLN A 13 -15.901 -1.085 -8.325 1.00 0.00 N ATOM 172 CA GLN A 13 -17.035 -1.839 -7.823 1.00 0.00 C ATOM 173 C GLN A 13 -16.598 -3.189 -7.256 1.00 0.00 C ATOM 174 O GLN A 13 -15.587 -3.754 -7.676 1.00 0.00 O ATOM 175 CB GLN A 13 -18.053 -2.033 -8.948 1.00 0.00 C ATOM 176 CG GLN A 13 -17.695 -3.141 -9.927 1.00 0.00 C ATOM 177 CD GLN A 13 -18.551 -3.111 -11.179 1.00 0.00 C ATOM 178 OE1 GLN A 13 -18.071 -2.786 -12.265 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.826 -3.452 -11.032 1.00 0.00 N ATOM 0 H GLN A 13 -15.974 -0.823 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.495 -1.277 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.026 -2.252 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.154 -1.097 -9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.645 -3.049 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.810 -4.107 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.181 -3.715 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.450 -3.451 -11.839 1.00 0.00 H new ATOM 188 N ALA A 14 -17.368 -3.700 -6.299 1.00 0.00 N ATOM 189 CA ALA A 14 -17.068 -4.977 -5.671 1.00 0.00 C ATOM 190 C ALA A 14 -16.870 -6.074 -6.710 1.00 0.00 C ATOM 191 O ALA A 14 -17.406 -6.002 -7.816 1.00 0.00 O ATOM 192 CB ALA A 14 -18.176 -5.361 -4.703 1.00 0.00 C ATOM 0 H ALA A 14 -18.208 -3.244 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.135 -4.868 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.939 -6.319 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.266 -4.597 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.119 -5.443 -5.243 1.00 0.00 H new ATOM 198 N GLY A 15 -16.095 -7.087 -6.345 1.00 0.00 N ATOM 199 CA GLY A 15 -15.835 -8.189 -7.254 1.00 0.00 C ATOM 200 C GLY A 15 -14.855 -7.823 -8.354 1.00 0.00 C ATOM 201 O GLY A 15 -14.605 -8.621 -9.258 1.00 0.00 O ATOM 0 H GLY A 15 -15.641 -7.166 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.442 -9.035 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.774 -8.514 -7.703 1.00 0.00 H new ATOM 205 N GLY A 16 -14.297 -6.617 -8.281 1.00 0.00 N ATOM 206 CA GLY A 16 -13.347 -6.178 -9.285 1.00 0.00 C ATOM 207 C GLY A 16 -11.989 -5.858 -8.694 1.00 0.00 C ATOM 208 O GLY A 16 -11.868 -4.982 -7.837 1.00 0.00 O ATOM 0 H GLY A 16 -14.487 -5.938 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.237 -6.955 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.738 -5.295 -9.790 1.00 0.00 H new ATOM 212 N SER A 17 -10.964 -6.570 -9.150 1.00 0.00 N ATOM 213 CA SER A 17 -9.608 -6.358 -8.659 1.00 0.00 C ATOM 214 C SER A 17 -9.055 -5.023 -9.140 1.00 0.00 C ATOM 215 O SER A 17 -9.218 -4.654 -10.303 1.00 0.00 O ATOM 216 CB SER A 17 -8.695 -7.492 -9.116 1.00 0.00 C ATOM 217 OG SER A 17 -7.679 -7.748 -8.162 1.00 0.00 O ATOM 0 H SER A 17 -11.047 -7.299 -9.859 1.00 0.00 H new ATOM 0 HA SER A 17 -9.644 -6.344 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.284 -8.395 -9.275 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.242 -7.234 -10.073 1.00 0.00 H new ATOM 0 HG SER A 17 -7.238 -6.907 -7.920 1.00 0.00 H new ATOM 223 N LEU A 18 -8.396 -4.305 -8.238 1.00 0.00 N ATOM 224 CA LEU A 18 -7.813 -3.013 -8.569 1.00 0.00 C ATOM 225 C LEU A 18 -6.341 -2.978 -8.176 1.00 0.00 C ATOM 226 O LEU A 18 -5.980 -3.353 -7.063 1.00 0.00 O ATOM 227 CB LEU A 18 -8.571 -1.890 -7.864 1.00 0.00 C ATOM 228 CG LEU A 18 -8.044 -0.487 -8.155 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.719 0.091 -9.389 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.254 0.422 -6.954 1.00 0.00 C ATOM 0 H LEU A 18 -8.253 -4.597 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.892 -2.866 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.620 -1.938 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.532 -2.063 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.974 -0.555 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.331 1.091 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.516 -0.548 -10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.795 0.145 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.872 1.418 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.318 0.484 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.722 0.016 -6.093 1.00 0.00 H new ATOM 242 N ARG A 19 -5.494 -2.536 -9.097 1.00 0.00 N ATOM 243 CA ARG A 19 -4.060 -2.469 -8.841 1.00 0.00 C ATOM 244 C ARG A 19 -3.593 -1.028 -8.661 1.00 0.00 C ATOM 245 O ARG A 19 -3.931 -0.150 -9.455 1.00 0.00 O ATOM 246 CB ARG A 19 -3.290 -3.125 -9.988 1.00 0.00 C ATOM 247 CG ARG A 19 -1.780 -3.092 -9.807 1.00 0.00 C ATOM 248 CD ARG A 19 -1.062 -3.756 -10.972 1.00 0.00 C ATOM 249 NE ARG A 19 0.061 -2.955 -11.452 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.068 -1.902 -12.255 1.00 0.00 C ATOM 251 NH1 ARG A 19 -1.269 -1.519 -12.671 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.006 -1.229 -12.644 1.00 0.00 N ATOM 0 H ARG A 19 -5.774 -2.219 -10.025 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.861 -3.008 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.613 -4.161 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.547 -2.623 -10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.447 -2.058 -9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.513 -3.597 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.701 -4.737 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.767 -3.917 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 19 1.000 -3.219 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.099 -2.033 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.362 -0.711 -13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.932 -1.518 -12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.907 -0.422 -13.260 1.00 0.00 H new ATOM 266 N LEU A 20 -2.802 -0.798 -7.617 1.00 0.00 N ATOM 267 CA LEU A 20 -2.271 0.528 -7.336 1.00 0.00 C ATOM 268 C LEU A 20 -0.751 0.496 -7.354 1.00 0.00 C ATOM 269 O LEU A 20 -0.138 -0.530 -7.054 1.00 0.00 O ATOM 270 CB LEU A 20 -2.765 1.042 -5.981 1.00 0.00 C ATOM 271 CG LEU A 20 -4.136 0.524 -5.547 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.551 1.157 -4.226 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.174 0.799 -6.626 1.00 0.00 C ATOM 0 H LEU A 20 -2.515 -1.516 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.627 1.207 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.034 0.770 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.800 2.131 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.070 -0.554 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.529 0.777 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.819 0.908 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.602 2.240 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.145 0.424 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.240 1.873 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.881 0.298 -7.549 1.00 0.00 H new ATOM 285 N SER A 21 -0.149 1.621 -7.711 1.00 0.00 N ATOM 286 CA SER A 21 1.304 1.722 -7.777 1.00 0.00 C ATOM 287 C SER A 21 1.819 2.849 -6.890 1.00 0.00 C ATOM 288 O SER A 21 1.220 3.923 -6.819 1.00 0.00 O ATOM 289 CB SER A 21 1.752 1.953 -9.221 1.00 0.00 C ATOM 290 OG SER A 21 1.341 3.227 -9.685 1.00 0.00 O ATOM 0 H SER A 21 -0.643 2.478 -7.960 1.00 0.00 H new ATOM 0 HA SER A 21 1.722 0.783 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.837 1.872 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.335 1.177 -9.863 1.00 0.00 H new ATOM 0 HG SER A 21 0.494 3.473 -9.258 1.00 0.00 H new ATOM 296 N CYS A 22 2.938 2.598 -6.219 1.00 0.00 N ATOM 297 CA CYS A 22 3.542 3.593 -5.341 1.00 0.00 C ATOM 298 C CYS A 22 5.045 3.682 -5.581 1.00 0.00 C ATOM 299 O CYS A 22 5.727 2.664 -5.694 1.00 0.00 O ATOM 300 CB CYS A 22 3.266 3.253 -3.876 1.00 0.00 C ATOM 301 SG CYS A 22 3.842 4.518 -2.698 1.00 0.00 S ATOM 0 H CYS A 22 3.445 1.714 -6.266 1.00 0.00 H new ATOM 0 HA CYS A 22 3.095 4.561 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.194 3.110 -3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.746 2.304 -3.638 1.00 0.00 H new ATOM 306 N ALA A 23 5.555 4.906 -5.662 1.00 0.00 N ATOM 307 CA ALA A 23 6.978 5.126 -5.894 1.00 0.00 C ATOM 308 C ALA A 23 7.654 5.717 -4.662 1.00 0.00 C ATOM 309 O ALA A 23 7.001 6.331 -3.817 1.00 0.00 O ATOM 310 CB ALA A 23 7.180 6.037 -7.096 1.00 0.00 C ATOM 0 H ALA A 23 5.005 5.760 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 23 7.440 4.160 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.246 6.194 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.742 5.575 -7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.697 6.996 -6.911 1.00 0.00 H new ATOM 316 N ALA A 24 8.966 5.528 -4.567 1.00 0.00 N ATOM 317 CA ALA A 24 9.734 6.043 -3.440 1.00 0.00 C ATOM 318 C ALA A 24 11.036 6.683 -3.911 1.00 0.00 C ATOM 319 O ALA A 24 11.233 6.903 -5.107 1.00 0.00 O ATOM 320 CB ALA A 24 10.018 4.928 -2.443 1.00 0.00 C ATOM 0 H ALA A 24 9.520 5.021 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 24 9.141 6.813 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.592 5.326 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.076 4.520 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.589 4.139 -2.932 1.00 0.00 H new ATOM 326 N SER A 25 11.922 6.980 -2.966 1.00 0.00 N ATOM 327 CA SER A 25 13.205 7.595 -3.288 1.00 0.00 C ATOM 328 C SER A 25 14.351 6.613 -3.063 1.00 0.00 C ATOM 329 O SER A 25 14.250 5.703 -2.240 1.00 0.00 O ATOM 330 CB SER A 25 13.419 8.851 -2.442 1.00 0.00 C ATOM 331 OG SER A 25 13.962 9.903 -3.220 1.00 0.00 O ATOM 0 H SER A 25 11.775 6.805 -1.972 1.00 0.00 H new ATOM 0 HA SER A 25 13.192 7.874 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.470 9.167 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.089 8.625 -1.612 1.00 0.00 H new ATOM 0 HG SER A 25 14.088 10.695 -2.657 1.00 0.00 H new ATOM 337 N GLY A 26 15.441 6.804 -3.800 1.00 0.00 N ATOM 338 CA GLY A 26 16.589 5.927 -3.666 1.00 0.00 C ATOM 339 C GLY A 26 17.646 6.486 -2.732 1.00 0.00 C ATOM 340 O GLY A 26 18.818 6.120 -2.822 1.00 0.00 O ATOM 0 H GLY A 26 15.549 7.550 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.259 4.957 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.030 5.759 -4.649 1.00 0.00 H new ATOM 344 N ARG A 27 17.232 7.373 -1.832 1.00 0.00 N ATOM 345 CA ARG A 27 18.150 7.981 -0.880 1.00 0.00 C ATOM 346 C ARG A 27 18.158 7.208 0.436 1.00 0.00 C ATOM 347 O ARG A 27 17.911 7.772 1.503 1.00 0.00 O ATOM 348 CB ARG A 27 17.760 9.435 -0.633 1.00 0.00 C ATOM 349 CG ARG A 27 18.252 10.389 -1.708 1.00 0.00 C ATOM 350 CD ARG A 27 19.769 10.484 -1.717 1.00 0.00 C ATOM 351 NE ARG A 27 20.232 11.808 -2.125 1.00 0.00 N ATOM 352 CZ ARG A 27 20.251 12.868 -1.321 1.00 0.00 C ATOM 353 NH1 ARG A 27 19.833 12.765 -0.065 1.00 0.00 N ATOM 354 NH2 ARG A 27 20.689 14.035 -1.772 1.00 0.00 N ATOM 0 H ARG A 27 16.265 7.686 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 27 19.154 7.948 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 27 16.674 9.505 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.159 9.751 0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.902 10.051 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.825 11.378 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.152 10.256 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.175 9.733 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 27 20.560 11.927 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.495 11.870 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.850 13.581 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.012 14.121 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.703 14.847 -1.155 1.00 0.00 H new ATOM 368 N THR A 28 18.443 5.913 0.353 1.00 0.00 N ATOM 369 CA THR A 28 18.483 5.060 1.535 1.00 0.00 C ATOM 370 C THR A 28 19.132 3.717 1.214 1.00 0.00 C ATOM 371 O THR A 28 19.756 3.554 0.165 1.00 0.00 O ATOM 372 CB THR A 28 17.070 4.843 2.081 1.00 0.00 C ATOM 373 OG1 THR A 28 17.107 4.105 3.290 1.00 0.00 O ATOM 374 CG2 THR A 28 16.163 4.105 1.120 1.00 0.00 C ATOM 0 H THR A 28 18.650 5.431 -0.522 1.00 0.00 H new ATOM 0 HA THR A 28 19.084 5.560 2.295 1.00 0.00 H new ATOM 0 HB THR A 28 16.666 5.843 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.844 4.429 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.177 3.985 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.073 4.674 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.585 3.124 0.903 1.00 0.00 H new ATOM 382 N GLY A 29 18.979 2.757 2.121 1.00 0.00 N ATOM 383 CA GLY A 29 19.552 1.444 1.914 1.00 0.00 C ATOM 384 C GLY A 29 19.955 0.769 3.210 1.00 0.00 C ATOM 385 O GLY A 29 21.017 0.154 3.295 1.00 0.00 O ATOM 0 H GLY A 29 18.467 2.868 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.831 0.816 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.426 1.531 1.268 1.00 0.00 H new ATOM 389 N SER A 30 19.102 0.885 4.220 1.00 0.00 N ATOM 390 CA SER A 30 19.367 0.283 5.521 1.00 0.00 C ATOM 391 C SER A 30 18.241 -0.665 5.919 1.00 0.00 C ATOM 392 O SER A 30 18.418 -1.883 5.940 1.00 0.00 O ATOM 393 CB SER A 30 19.532 1.372 6.582 1.00 0.00 C ATOM 394 OG SER A 30 19.804 0.811 7.854 1.00 0.00 O ATOM 0 H SER A 30 18.219 1.392 4.163 1.00 0.00 H new ATOM 0 HA SER A 30 20.292 -0.290 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.343 2.042 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.625 1.974 6.633 1.00 0.00 H new ATOM 0 HG SER A 30 19.907 1.529 8.513 1.00 0.00 H new ATOM 400 N THR A 31 17.081 -0.097 6.230 1.00 0.00 N ATOM 401 CA THR A 31 15.920 -0.887 6.624 1.00 0.00 C ATOM 402 C THR A 31 14.634 -0.266 6.085 1.00 0.00 C ATOM 403 O THR A 31 13.564 -0.415 6.674 1.00 0.00 O ATOM 404 CB THR A 31 15.851 -1.002 8.148 1.00 0.00 C ATOM 405 OG1 THR A 31 16.537 0.075 8.762 1.00 0.00 O ATOM 406 CG2 THR A 31 16.446 -2.288 8.678 1.00 0.00 C ATOM 0 H THR A 31 16.919 0.910 6.217 1.00 0.00 H new ATOM 0 HA THR A 31 16.025 -1.885 6.198 1.00 0.00 H new ATOM 0 HB THR A 31 14.789 -0.985 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.899 -0.217 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.365 -2.306 9.765 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.907 -3.138 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.496 -2.348 8.392 1.00 0.00 H new ATOM 414 N TYR A 32 14.753 0.434 4.961 1.00 0.00 N ATOM 415 CA TYR A 32 13.609 1.084 4.333 1.00 0.00 C ATOM 416 C TYR A 32 12.652 0.056 3.741 1.00 0.00 C ATOM 417 O TYR A 32 13.076 -0.952 3.175 1.00 0.00 O ATOM 418 CB TYR A 32 14.091 2.038 3.239 1.00 0.00 C ATOM 419 CG TYR A 32 13.170 3.210 2.982 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.033 4.227 3.918 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.447 3.304 1.800 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.200 5.304 3.684 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.614 4.380 1.557 1.00 0.00 C ATOM 424 CZ TYR A 32 11.494 5.377 2.502 1.00 0.00 C ATOM 425 OH TYR A 32 10.664 6.449 2.264 1.00 0.00 O ATOM 0 H TYR A 32 15.635 0.566 4.465 1.00 0.00 H new ATOM 0 HA TYR A 32 13.073 1.648 5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 32 15.075 2.418 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.213 1.477 2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.587 4.175 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.537 2.524 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.102 6.085 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.060 4.440 0.632 1.00 0.00 H new ATOM 0 HH TYR A 32 10.242 6.347 1.385 1.00 0.00 H new ATOM 435 N ASP A 33 11.359 0.321 3.876 1.00 0.00 N ATOM 436 CA ASP A 33 10.333 -0.574 3.355 1.00 0.00 C ATOM 437 C ASP A 33 9.226 0.221 2.672 1.00 0.00 C ATOM 438 O ASP A 33 9.203 1.449 2.736 1.00 0.00 O ATOM 439 CB ASP A 33 9.744 -1.424 4.483 1.00 0.00 C ATOM 440 CG ASP A 33 10.777 -2.329 5.126 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.829 -1.816 5.560 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.531 -3.552 5.197 1.00 0.00 O ATOM 0 H ASP A 33 10.995 1.151 4.343 1.00 0.00 H new ATOM 0 HA ASP A 33 10.796 -1.233 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.316 -0.769 5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.929 -2.031 4.089 1.00 0.00 H new ATOM 447 N MET A 34 8.310 -0.484 2.019 1.00 0.00 N ATOM 448 CA MET A 34 7.202 0.162 1.328 1.00 0.00 C ATOM 449 C MET A 34 5.900 -0.596 1.563 1.00 0.00 C ATOM 450 O MET A 34 5.770 -1.758 1.180 1.00 0.00 O ATOM 451 CB MET A 34 7.492 0.252 -0.173 1.00 0.00 C ATOM 452 CG MET A 34 8.036 1.604 -0.607 1.00 0.00 C ATOM 453 SD MET A 34 9.335 1.463 -1.851 1.00 0.00 S ATOM 454 CE MET A 34 10.780 1.885 -0.880 1.00 0.00 C ATOM 0 H MET A 34 8.313 -1.502 1.954 1.00 0.00 H new ATOM 0 HA MET A 34 7.092 1.169 1.730 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.209 -0.523 -0.443 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.575 0.044 -0.725 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.221 2.208 -1.005 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.427 2.130 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.667 1.451 -1.341 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.886 2.969 -0.838 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.667 1.492 0.130 1.00 0.00 H new ATOM 464 N GLY A 35 4.938 0.067 2.197 1.00 0.00 N ATOM 465 CA GLY A 35 3.662 -0.567 2.471 1.00 0.00 C ATOM 466 C GLY A 35 2.498 0.401 2.406 1.00 0.00 C ATOM 467 O GLY A 35 2.649 1.588 2.697 1.00 0.00 O ATOM 0 H GLY A 35 5.019 1.029 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.500 -1.371 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.694 -1.024 3.460 1.00 0.00 H new ATOM 471 N TRP A 36 1.331 -0.110 2.023 1.00 0.00 N ATOM 472 CA TRP A 36 0.137 0.706 1.918 1.00 0.00 C ATOM 473 C TRP A 36 -0.610 0.759 3.241 1.00 0.00 C ATOM 474 O TRP A 36 -0.511 -0.151 4.065 1.00 0.00 O ATOM 475 CB TRP A 36 -0.775 0.154 0.836 1.00 0.00 C ATOM 476 CG TRP A 36 -0.188 0.227 -0.539 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.768 -0.593 -1.067 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.517 1.171 -1.564 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.052 -0.217 -2.357 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.276 0.863 -2.686 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.407 2.246 -1.642 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.205 1.591 -3.870 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.476 2.969 -2.819 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.675 2.638 -3.919 1.00 0.00 C ATOM 0 H TRP A 36 1.192 -1.091 1.780 1.00 0.00 H new ATOM 0 HA TRP A 36 0.442 1.719 1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.010 -0.885 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.716 0.705 0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.233 -1.417 -0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.730 -0.668 -2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.029 2.507 -0.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.822 1.339 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.159 3.803 -2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.753 3.221 -4.825 1.00 0.00 H new ATOM 495 N PHE A 37 -1.352 1.838 3.436 1.00 0.00 N ATOM 496 CA PHE A 37 -2.114 2.033 4.649 1.00 0.00 C ATOM 497 C PHE A 37 -3.541 2.459 4.323 1.00 0.00 C ATOM 498 O PHE A 37 -3.910 2.574 3.154 1.00 0.00 O ATOM 499 CB PHE A 37 -1.435 3.096 5.506 1.00 0.00 C ATOM 500 CG PHE A 37 -0.414 2.541 6.456 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.719 1.901 5.981 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.587 2.661 7.826 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.660 1.388 6.854 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.350 2.151 8.704 1.00 0.00 C ATOM 505 CZ PHE A 37 1.475 1.513 8.217 1.00 0.00 C ATOM 0 H PHE A 37 -1.440 2.596 2.759 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.155 1.092 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.953 3.824 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.195 3.632 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.869 1.802 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.464 3.159 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.539 0.890 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.203 2.251 9.769 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.208 1.113 8.901 1.00 0.00 H new ATOM 515 N ARG A 38 -4.339 2.693 5.357 1.00 0.00 N ATOM 516 CA ARG A 38 -5.723 3.108 5.168 1.00 0.00 C ATOM 517 C ARG A 38 -6.212 3.947 6.345 1.00 0.00 C ATOM 518 O ARG A 38 -5.670 3.861 7.447 1.00 0.00 O ATOM 519 CB ARG A 38 -6.620 1.883 4.992 1.00 0.00 C ATOM 520 CG ARG A 38 -6.546 0.902 6.151 1.00 0.00 C ATOM 521 CD ARG A 38 -6.597 -0.539 5.668 1.00 0.00 C ATOM 522 NE ARG A 38 -7.907 -1.145 5.889 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.137 -2.455 5.829 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.148 -3.298 5.556 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.359 -2.924 6.043 1.00 0.00 N ATOM 0 H ARG A 38 -4.053 2.603 6.332 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.772 3.722 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.652 2.213 4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.341 1.368 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.625 1.067 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.372 1.086 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.356 -0.574 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.836 -1.122 6.186 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.692 -0.529 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.206 -2.943 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.330 -4.301 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.122 -2.281 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.535 -3.928 5.997 1.00 0.00 H new ATOM 539 N GLN A 39 -7.241 4.757 6.105 1.00 0.00 N ATOM 540 CA GLN A 39 -7.799 5.608 7.150 1.00 0.00 C ATOM 541 C GLN A 39 -9.237 6.008 6.834 1.00 0.00 C ATOM 542 O GLN A 39 -9.580 6.282 5.684 1.00 0.00 O ATOM 543 CB GLN A 39 -6.937 6.860 7.338 1.00 0.00 C ATOM 544 CG GLN A 39 -6.309 6.952 8.717 1.00 0.00 C ATOM 545 CD GLN A 39 -6.397 8.340 9.320 1.00 0.00 C ATOM 546 OE1 GLN A 39 -6.648 9.321 8.620 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.188 8.424 10.629 1.00 0.00 N ATOM 0 H GLN A 39 -7.703 4.841 5.199 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.802 5.034 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.148 6.867 6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.550 7.745 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.801 6.242 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.262 6.656 8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.983 7.582 11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.232 9.330 11.095 1.00 0.00 H new ATOM 556 N ALA A 40 -10.069 6.045 7.869 1.00 0.00 N ATOM 557 CA ALA A 40 -11.469 6.420 7.719 1.00 0.00 C ATOM 558 C ALA A 40 -11.833 7.532 8.698 1.00 0.00 C ATOM 559 O ALA A 40 -11.123 7.759 9.678 1.00 0.00 O ATOM 560 CB ALA A 40 -12.367 5.210 7.930 1.00 0.00 C ATOM 0 H ALA A 40 -9.796 5.819 8.825 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.620 6.791 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.410 5.506 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.124 4.444 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.212 4.812 8.933 1.00 0.00 H new ATOM 566 N PRO A 41 -12.942 8.247 8.450 1.00 0.00 N ATOM 567 CA PRO A 41 -13.380 9.339 9.322 1.00 0.00 C ATOM 568 C PRO A 41 -13.824 8.846 10.687 1.00 0.00 C ATOM 569 O PRO A 41 -14.505 7.827 10.804 1.00 0.00 O ATOM 570 CB PRO A 41 -14.549 9.968 8.560 1.00 0.00 C ATOM 571 CG PRO A 41 -15.051 8.882 7.671 1.00 0.00 C ATOM 572 CD PRO A 41 -13.850 8.053 7.305 1.00 0.00 C ATOM 0 HA PRO A 41 -12.573 10.042 9.529 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.326 10.312 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.225 10.834 7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.801 8.277 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.525 9.295 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.111 7.003 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.398 8.389 6.372 1.00 0.00 H new ATOM 580 N GLY A 42 -13.408 9.568 11.722 1.00 0.00 N ATOM 581 CA GLY A 42 -13.745 9.180 13.074 1.00 0.00 C ATOM 582 C GLY A 42 -13.026 7.911 13.488 1.00 0.00 C ATOM 583 O GLY A 42 -13.253 7.389 14.579 1.00 0.00 O ATOM 0 H GLY A 42 -12.844 10.414 11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.485 9.986 13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.822 9.030 13.152 1.00 0.00 H new ATOM 587 N LYS A 43 -12.162 7.406 12.606 1.00 0.00 N ATOM 588 CA LYS A 43 -11.419 6.188 12.874 1.00 0.00 C ATOM 589 C LYS A 43 -9.928 6.478 13.030 1.00 0.00 C ATOM 590 O LYS A 43 -9.502 7.632 12.994 1.00 0.00 O ATOM 591 CB LYS A 43 -11.642 5.210 11.728 1.00 0.00 C ATOM 592 CG LYS A 43 -11.628 3.750 12.151 1.00 0.00 C ATOM 593 CD LYS A 43 -12.995 3.105 11.980 1.00 0.00 C ATOM 594 CE LYS A 43 -12.876 1.642 11.585 1.00 0.00 C ATOM 595 NZ LYS A 43 -13.855 0.789 12.313 1.00 0.00 N ATOM 0 H LYS A 43 -11.964 7.828 11.699 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.775 5.755 13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.599 5.432 11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.870 5.367 10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.892 3.206 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.317 3.675 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.556 3.187 12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.560 3.644 11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.035 1.542 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.865 1.291 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.741 -0.201 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.687 0.864 13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.821 1.107 12.096 1.00 0.00 H new ATOM 609 N GLU A 44 -9.140 5.420 13.198 1.00 0.00 N ATOM 610 CA GLU A 44 -7.698 5.554 13.352 1.00 0.00 C ATOM 611 C GLU A 44 -6.972 4.986 12.137 1.00 0.00 C ATOM 612 O GLU A 44 -7.518 4.158 11.407 1.00 0.00 O ATOM 613 CB GLU A 44 -7.225 4.845 14.623 1.00 0.00 C ATOM 614 CG GLU A 44 -8.128 5.075 15.824 1.00 0.00 C ATOM 615 CD GLU A 44 -7.889 6.419 16.484 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.729 6.703 16.850 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.862 7.187 16.636 1.00 0.00 O ATOM 0 H GLU A 44 -9.479 4.458 13.231 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.463 6.615 13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.160 3.774 14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.219 5.186 14.866 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.169 5.009 15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.965 4.282 16.554 1.00 0.00 H new ATOM 624 N ARG A 45 -5.743 5.441 11.918 1.00 0.00 N ATOM 625 CA ARG A 45 -4.951 4.983 10.783 1.00 0.00 C ATOM 626 C ARG A 45 -4.419 3.569 10.999 1.00 0.00 C ATOM 627 O ARG A 45 -3.873 3.249 12.055 1.00 0.00 O ATOM 628 CB ARG A 45 -3.794 5.954 10.513 1.00 0.00 C ATOM 629 CG ARG A 45 -2.556 5.695 11.358 1.00 0.00 C ATOM 630 CD ARG A 45 -1.540 6.817 11.216 1.00 0.00 C ATOM 631 NE ARG A 45 -0.183 6.370 11.522 1.00 0.00 N ATOM 632 CZ ARG A 45 0.292 6.233 12.758 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.476 6.505 13.806 1.00 0.00 N ATOM 634 NH2 ARG A 45 1.538 5.821 12.948 1.00 0.00 N ATOM 0 H ARG A 45 -5.274 6.126 12.511 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.606 4.959 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.521 5.893 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.138 6.972 10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.843 5.593 12.405 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.101 4.751 11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.572 7.208 10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.810 7.637 11.882 1.00 0.00 H new ATOM 0 HE ARG A 45 0.437 6.150 10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.436 6.821 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.106 6.398 14.751 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.133 5.609 12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.902 5.716 13.895 1.00 0.00 H new ATOM 648 N GLU A 46 -4.574 2.735 9.977 1.00 0.00 N ATOM 649 CA GLU A 46 -4.106 1.357 10.023 1.00 0.00 C ATOM 650 C GLU A 46 -3.379 1.013 8.730 1.00 0.00 C ATOM 651 O GLU A 46 -3.482 1.737 7.743 1.00 0.00 O ATOM 652 CB GLU A 46 -5.280 0.399 10.242 1.00 0.00 C ATOM 653 CG GLU A 46 -6.256 0.351 9.078 1.00 0.00 C ATOM 654 CD GLU A 46 -7.556 -0.343 9.435 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.525 -1.260 10.283 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.604 0.028 8.866 1.00 0.00 O ATOM 0 H GLU A 46 -5.025 2.994 9.099 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.414 1.250 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.891 -0.604 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.817 0.697 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.470 1.367 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.790 -0.167 8.239 1.00 0.00 H new ATOM 663 N SER A 47 -2.640 -0.086 8.739 1.00 0.00 N ATOM 664 CA SER A 47 -1.899 -0.503 7.562 1.00 0.00 C ATOM 665 C SER A 47 -2.623 -1.618 6.824 1.00 0.00 C ATOM 666 O SER A 47 -3.628 -2.149 7.298 1.00 0.00 O ATOM 667 CB SER A 47 -0.495 -0.960 7.953 1.00 0.00 C ATOM 668 OG SER A 47 0.330 -1.130 6.813 1.00 0.00 O ATOM 0 H SER A 47 -2.539 -0.702 9.546 1.00 0.00 H new ATOM 0 HA SER A 47 -1.822 0.354 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.046 -0.227 8.623 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.556 -1.899 8.503 1.00 0.00 H new ATOM 0 HG SER A 47 0.516 -0.256 6.411 1.00 0.00 H new ATOM 674 N VAL A 48 -2.102 -1.959 5.658 1.00 0.00 N ATOM 675 CA VAL A 48 -2.686 -3.007 4.830 1.00 0.00 C ATOM 676 C VAL A 48 -1.638 -4.028 4.406 1.00 0.00 C ATOM 677 O VAL A 48 -1.680 -5.183 4.826 1.00 0.00 O ATOM 678 CB VAL A 48 -3.354 -2.430 3.570 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.335 -3.431 2.979 1.00 0.00 C ATOM 680 CG2 VAL A 48 -4.046 -1.110 3.877 1.00 0.00 C ATOM 0 H VAL A 48 -1.270 -1.524 5.259 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.443 -3.497 5.442 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.576 -2.236 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.797 -3.005 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.805 -4.345 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.107 -3.661 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.510 -0.723 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.811 -1.268 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.313 -0.392 4.244 1.00 0.00 H new ATOM 690 N ALA A 49 -0.700 -3.600 3.569 1.00 0.00 N ATOM 691 CA ALA A 49 0.351 -4.487 3.091 1.00 0.00 C ATOM 692 C ALA A 49 1.685 -3.760 2.985 1.00 0.00 C ATOM 693 O ALA A 49 1.755 -2.638 2.487 1.00 0.00 O ATOM 694 CB ALA A 49 -0.035 -5.085 1.747 1.00 0.00 C ATOM 0 H ALA A 49 -0.647 -2.647 3.209 1.00 0.00 H new ATOM 0 HA ALA A 49 0.467 -5.292 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.760 -5.746 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.959 -5.653 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.183 -4.285 1.022 1.00 0.00 H new ATOM 700 N ALA A 50 2.741 -4.411 3.458 1.00 0.00 N ATOM 701 CA ALA A 50 4.074 -3.830 3.417 1.00 0.00 C ATOM 702 C ALA A 50 5.084 -4.822 2.857 1.00 0.00 C ATOM 703 O ALA A 50 4.982 -6.025 3.090 1.00 0.00 O ATOM 704 CB ALA A 50 4.490 -3.374 4.805 1.00 0.00 C ATOM 0 H ALA A 50 2.698 -5.341 3.874 1.00 0.00 H new ATOM 0 HA ALA A 50 4.050 -2.964 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.489 -2.941 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.786 -2.626 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.494 -4.228 5.483 1.00 0.00 H new ATOM 710 N ILE A 51 6.058 -4.312 2.115 1.00 0.00 N ATOM 711 CA ILE A 51 7.082 -5.159 1.522 1.00 0.00 C ATOM 712 C ILE A 51 8.479 -4.651 1.854 1.00 0.00 C ATOM 713 O ILE A 51 8.714 -3.444 1.925 1.00 0.00 O ATOM 714 CB ILE A 51 6.921 -5.242 -0.009 1.00 0.00 C ATOM 715 CG1 ILE A 51 7.905 -6.255 -0.602 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.108 -3.869 -0.644 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.229 -7.388 -1.344 1.00 0.00 C ATOM 0 H ILE A 51 6.160 -3.318 1.910 1.00 0.00 H new ATOM 0 HA ILE A 51 6.956 -6.155 1.947 1.00 0.00 H new ATOM 0 HB ILE A 51 5.909 -5.583 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.581 -5.738 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.516 -6.669 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.991 -3.949 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.362 -3.180 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.106 -3.495 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.985 -8.067 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.574 -7.930 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.641 -6.984 -2.168 1.00 0.00 H new ATOM 729 N ASN A 52 9.400 -5.583 2.061 1.00 0.00 N ATOM 730 CA ASN A 52 10.770 -5.249 2.389 1.00 0.00 C ATOM 731 C ASN A 52 11.488 -4.626 1.193 1.00 0.00 C ATOM 732 O ASN A 52 10.855 -4.215 0.221 1.00 0.00 O ATOM 733 CB ASN A 52 11.497 -6.511 2.844 1.00 0.00 C ATOM 734 CG ASN A 52 11.779 -7.468 1.701 1.00 0.00 C ATOM 735 OD1 ASN A 52 12.860 -7.449 1.113 1.00 0.00 O ATOM 736 ND2 ASN A 52 10.805 -8.312 1.379 1.00 0.00 N ATOM 0 H ASN A 52 9.215 -6.585 2.006 1.00 0.00 H new ATOM 0 HA ASN A 52 10.770 -4.514 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.437 -6.232 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.897 -7.019 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.938 -8.978 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.924 -8.294 1.893 1.00 0.00 H new ATOM 743 N TRP A 53 12.812 -4.561 1.276 1.00 0.00 N ATOM 744 CA TRP A 53 13.621 -3.991 0.209 1.00 0.00 C ATOM 745 C TRP A 53 14.516 -5.056 -0.418 1.00 0.00 C ATOM 746 O TRP A 53 14.443 -5.314 -1.620 1.00 0.00 O ATOM 747 CB TRP A 53 14.469 -2.846 0.763 1.00 0.00 C ATOM 748 CG TRP A 53 14.474 -1.627 -0.110 1.00 0.00 C ATOM 749 CD1 TRP A 53 14.077 -0.368 0.241 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.892 -1.549 -1.477 1.00 0.00 C ATOM 751 NE1 TRP A 53 14.224 0.487 -0.824 1.00 0.00 N ATOM 752 CE2 TRP A 53 14.722 -0.214 -1.891 1.00 0.00 C ATOM 753 CE3 TRP A 53 15.394 -2.478 -2.392 1.00 0.00 C ATOM 754 CZ2 TRP A 53 15.037 0.213 -3.178 1.00 0.00 C ATOM 755 CZ3 TRP A 53 15.706 -2.053 -3.670 1.00 0.00 C ATOM 756 CH2 TRP A 53 15.527 -0.718 -4.052 1.00 0.00 C ATOM 0 H TRP A 53 13.348 -4.898 2.075 1.00 0.00 H new ATOM 0 HA TRP A 53 12.958 -3.605 -0.566 1.00 0.00 H new ATOM 0 HB2 TRP A 53 14.097 -2.574 1.751 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.494 -3.194 0.893 1.00 0.00 H new ATOM 0 HD1 TRP A 53 13.702 -0.086 1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 53 13.999 1.482 -0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 53 15.536 -3.510 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 14.899 1.242 -3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 16.094 -2.763 -4.386 1.00 0.00 H new ATOM 0 HH2 TRP A 53 15.781 -0.417 -5.058 1.00 0.00 H new ATOM 767 N ASP A 54 15.361 -5.674 0.403 1.00 0.00 N ATOM 768 CA ASP A 54 16.271 -6.712 -0.072 1.00 0.00 C ATOM 769 C ASP A 54 15.511 -7.824 -0.797 1.00 0.00 C ATOM 770 O ASP A 54 15.382 -7.800 -2.021 1.00 0.00 O ATOM 771 CB ASP A 54 17.073 -7.292 1.097 1.00 0.00 C ATOM 772 CG ASP A 54 18.313 -6.478 1.410 1.00 0.00 C ATOM 773 OD1 ASP A 54 19.155 -6.307 0.503 1.00 0.00 O ATOM 774 OD2 ASP A 54 18.443 -6.013 2.561 1.00 0.00 O ATOM 0 H ASP A 54 15.434 -5.474 1.400 1.00 0.00 H new ATOM 0 HA ASP A 54 16.961 -6.256 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.438 -7.337 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.364 -8.316 0.861 1.00 0.00 H new ATOM 779 N SER A 55 15.008 -8.797 -0.038 1.00 0.00 N ATOM 780 CA SER A 55 14.262 -9.913 -0.615 1.00 0.00 C ATOM 781 C SER A 55 13.940 -10.960 0.448 1.00 0.00 C ATOM 782 O SER A 55 14.479 -12.067 0.429 1.00 0.00 O ATOM 783 CB SER A 55 15.056 -10.556 -1.756 1.00 0.00 C ATOM 784 OG SER A 55 16.439 -10.603 -1.452 1.00 0.00 O ATOM 0 H SER A 55 15.104 -8.834 0.977 1.00 0.00 H new ATOM 0 HA SER A 55 13.325 -9.521 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.686 -11.565 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.901 -9.990 -2.675 1.00 0.00 H new ATOM 0 HG SER A 55 16.923 -11.019 -2.195 1.00 0.00 H new ATOM 790 N ALA A 56 13.057 -10.602 1.374 1.00 0.00 N ATOM 791 CA ALA A 56 12.662 -11.505 2.445 1.00 0.00 C ATOM 792 C ALA A 56 11.209 -11.941 2.289 1.00 0.00 C ATOM 793 O ALA A 56 10.928 -13.087 1.939 1.00 0.00 O ATOM 794 CB ALA A 56 12.873 -10.842 3.798 1.00 0.00 C ATOM 0 H ALA A 56 12.601 -9.690 1.403 1.00 0.00 H new ATOM 0 HA ALA A 56 13.289 -12.395 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.574 -11.528 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.926 -10.587 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.271 -9.935 3.857 1.00 0.00 H new ATOM 800 N ARG A 57 10.287 -11.020 2.554 1.00 0.00 N ATOM 801 CA ARG A 57 8.863 -11.313 2.445 1.00 0.00 C ATOM 802 C ARG A 57 8.030 -10.037 2.554 1.00 0.00 C ATOM 803 O ARG A 57 8.566 -8.927 2.530 1.00 0.00 O ATOM 804 CB ARG A 57 8.445 -12.307 3.531 1.00 0.00 C ATOM 805 CG ARG A 57 8.200 -13.714 3.007 1.00 0.00 C ATOM 806 CD ARG A 57 6.751 -14.135 3.188 1.00 0.00 C ATOM 807 NE ARG A 57 6.290 -14.995 2.100 1.00 0.00 N ATOM 808 CZ ARG A 57 5.912 -14.543 0.907 1.00 0.00 C ATOM 809 NH1 ARG A 57 5.938 -13.243 0.643 1.00 0.00 N ATOM 810 NH2 ARG A 57 5.508 -15.394 -0.026 1.00 0.00 N ATOM 0 H ARG A 57 10.501 -10.066 2.845 1.00 0.00 H new ATOM 0 HA ARG A 57 8.682 -11.756 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.220 -12.343 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.537 -11.945 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.463 -13.760 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.851 -14.415 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.642 -14.661 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.120 -13.248 3.241 1.00 0.00 H new ATOM 0 HE ARG A 57 6.256 -16.001 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.249 -12.584 1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.647 -12.903 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.487 -16.395 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.218 -15.048 -0.941 1.00 0.00 H new ATOM 824 N THR A 58 6.716 -10.206 2.671 1.00 0.00 N ATOM 825 CA THR A 58 5.805 -9.074 2.784 1.00 0.00 C ATOM 826 C THR A 58 5.101 -9.075 4.137 1.00 0.00 C ATOM 827 O THR A 58 5.361 -9.929 4.985 1.00 0.00 O ATOM 828 CB THR A 58 4.772 -9.109 1.657 1.00 0.00 C ATOM 829 OG1 THR A 58 5.146 -10.041 0.658 1.00 0.00 O ATOM 830 CG2 THR A 58 4.576 -7.768 0.983 1.00 0.00 C ATOM 0 H THR A 58 6.259 -11.118 2.690 1.00 0.00 H new ATOM 0 HA THR A 58 6.391 -8.159 2.701 1.00 0.00 H new ATOM 0 HB THR A 58 3.836 -9.399 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.471 -10.048 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.831 -7.863 0.193 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.236 -7.038 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.520 -7.436 0.552 1.00 0.00 H new ATOM 838 N TYR A 59 4.211 -8.109 4.330 1.00 0.00 N ATOM 839 CA TYR A 59 3.468 -7.986 5.576 1.00 0.00 C ATOM 840 C TYR A 59 2.013 -7.615 5.305 1.00 0.00 C ATOM 841 O TYR A 59 1.674 -6.436 5.204 1.00 0.00 O ATOM 842 CB TYR A 59 4.119 -6.928 6.468 1.00 0.00 C ATOM 843 CG TYR A 59 3.336 -6.622 7.726 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.472 -7.409 8.863 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.459 -5.545 7.775 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.756 -7.132 10.012 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.739 -5.262 8.920 1.00 0.00 C ATOM 848 CZ TYR A 59 1.891 -6.058 10.035 1.00 0.00 C ATOM 849 OH TYR A 59 1.176 -5.779 11.177 1.00 0.00 O ATOM 0 H TYR A 59 3.986 -7.397 3.635 1.00 0.00 H new ATOM 0 HA TYR A 59 3.488 -8.949 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.117 -7.265 6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.241 -6.009 5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.148 -8.251 8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.338 -4.919 6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.873 -7.753 10.888 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.061 -4.422 8.941 1.00 0.00 H new ATOM 0 HH TYR A 59 0.614 -4.990 11.027 1.00 0.00 H new ATOM 859 N TYR A 60 1.157 -8.625 5.191 1.00 0.00 N ATOM 860 CA TYR A 60 -0.257 -8.402 4.934 1.00 0.00 C ATOM 861 C TYR A 60 -0.984 -7.993 6.211 1.00 0.00 C ATOM 862 O TYR A 60 -0.501 -8.237 7.317 1.00 0.00 O ATOM 863 CB TYR A 60 -0.886 -9.668 4.356 1.00 0.00 C ATOM 864 CG TYR A 60 -0.460 -9.962 2.936 1.00 0.00 C ATOM 865 CD1 TYR A 60 -1.032 -9.287 1.865 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.515 -10.914 2.666 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.645 -9.552 0.565 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.908 -11.185 1.369 1.00 0.00 C ATOM 869 CZ TYR A 60 0.325 -10.502 0.323 1.00 0.00 C ATOM 870 OH TYR A 60 0.714 -10.770 -0.970 1.00 0.00 O ATOM 0 H TYR A 60 1.421 -9.607 5.273 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.352 -7.591 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.622 -10.516 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.971 -9.572 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.792 -8.543 2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.973 -11.451 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.100 -9.018 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.668 -11.928 1.176 1.00 0.00 H new ATOM 0 HH TYR A 60 1.407 -11.463 -0.966 1.00 0.00 H new ATOM 880 N ALA A 61 -2.145 -7.366 6.051 1.00 0.00 N ATOM 881 CA ALA A 61 -2.935 -6.919 7.191 1.00 0.00 C ATOM 882 C ALA A 61 -4.218 -7.732 7.329 1.00 0.00 C ATOM 883 O ALA A 61 -4.661 -8.387 6.382 1.00 0.00 O ATOM 884 CB ALA A 61 -3.258 -5.439 7.060 1.00 0.00 C ATOM 0 H ALA A 61 -2.559 -7.156 5.143 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.342 -7.074 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.849 -5.118 7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.331 -4.866 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.826 -5.270 6.145 1.00 0.00 H new ATOM 890 N SER A 62 -4.816 -7.683 8.514 1.00 0.00 N ATOM 891 CA SER A 62 -6.045 -8.415 8.772 1.00 0.00 C ATOM 892 C SER A 62 -7.200 -7.807 7.992 1.00 0.00 C ATOM 893 O SER A 62 -7.188 -6.619 7.672 1.00 0.00 O ATOM 894 CB SER A 62 -6.363 -8.415 10.268 1.00 0.00 C ATOM 895 OG SER A 62 -7.509 -9.201 10.547 1.00 0.00 O ATOM 0 H SER A 62 -4.469 -7.145 9.308 1.00 0.00 H new ATOM 0 HA SER A 62 -5.906 -9.445 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.509 -8.802 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.528 -7.393 10.608 1.00 0.00 H new ATOM 0 HG SER A 62 -7.690 -9.186 11.510 1.00 0.00 H new ATOM 901 N SER A 63 -8.185 -8.644 7.669 1.00 0.00 N ATOM 902 CA SER A 63 -9.355 -8.223 6.899 1.00 0.00 C ATOM 903 C SER A 63 -9.093 -8.373 5.403 1.00 0.00 C ATOM 904 O SER A 63 -10.022 -8.333 4.595 1.00 0.00 O ATOM 905 CB SER A 63 -9.748 -6.777 7.223 1.00 0.00 C ATOM 906 OG SER A 63 -11.104 -6.530 6.891 1.00 0.00 O ATOM 0 H SER A 63 -8.195 -9.629 7.932 1.00 0.00 H new ATOM 0 HA SER A 63 -10.186 -8.870 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.589 -6.583 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.105 -6.090 6.673 1.00 0.00 H new ATOM 0 HG SER A 63 -11.327 -6.996 6.058 1.00 0.00 H new ATOM 912 N VAL A 64 -7.824 -8.552 5.037 1.00 0.00 N ATOM 913 CA VAL A 64 -7.450 -8.714 3.638 1.00 0.00 C ATOM 914 C VAL A 64 -6.200 -9.580 3.491 1.00 0.00 C ATOM 915 O VAL A 64 -5.559 -9.584 2.440 1.00 0.00 O ATOM 916 CB VAL A 64 -7.199 -7.352 2.962 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.464 -6.507 2.980 1.00 0.00 C ATOM 918 CG2 VAL A 64 -6.050 -6.621 3.641 1.00 0.00 C ATOM 0 H VAL A 64 -7.042 -8.588 5.690 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.288 -9.209 3.146 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.922 -7.528 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.268 -5.549 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.257 -7.028 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.774 -6.338 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.888 -5.662 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.294 -6.455 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.144 -7.222 3.570 1.00 0.00 H new ATOM 928 N ARG A 65 -5.851 -10.308 4.551 1.00 0.00 N ATOM 929 CA ARG A 65 -4.686 -11.161 4.541 1.00 0.00 C ATOM 930 C ARG A 65 -4.965 -12.460 3.809 1.00 0.00 C ATOM 931 O ARG A 65 -5.247 -13.493 4.416 1.00 0.00 O ATOM 932 CB ARG A 65 -4.246 -11.444 5.972 1.00 0.00 C ATOM 933 CG ARG A 65 -2.746 -11.593 6.126 1.00 0.00 C ATOM 934 CD ARG A 65 -2.379 -12.901 6.807 1.00 0.00 C ATOM 935 NE ARG A 65 -1.979 -12.702 8.199 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.443 -13.653 8.959 1.00 0.00 C ATOM 937 NH1 ARG A 65 -1.242 -14.869 8.469 1.00 0.00 N ATOM 938 NH2 ARG A 65 -1.107 -13.387 10.215 1.00 0.00 N ATOM 0 H ARG A 65 -6.370 -10.317 5.429 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.885 -10.646 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.591 -10.635 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.731 -12.356 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.273 -11.548 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.355 -10.758 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.230 -13.581 6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.565 -13.378 6.261 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.119 -11.780 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.499 -15.079 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.831 -15.594 9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.260 -12.454 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.696 -14.116 10.798 1.00 0.00 H new ATOM 952 N GLY A 66 -4.882 -12.383 2.497 1.00 0.00 N ATOM 953 CA GLY A 66 -5.123 -13.536 1.660 1.00 0.00 C ATOM 954 C GLY A 66 -5.843 -13.172 0.379 1.00 0.00 C ATOM 955 O GLY A 66 -5.952 -13.991 -0.534 1.00 0.00 O ATOM 0 H GLY A 66 -4.649 -11.531 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.173 -14.012 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.714 -14.267 2.212 1.00 0.00 H new ATOM 959 N ARG A 67 -6.344 -11.941 0.312 1.00 0.00 N ATOM 960 CA ARG A 67 -7.065 -11.476 -0.866 1.00 0.00 C ATOM 961 C ARG A 67 -6.254 -10.439 -1.637 1.00 0.00 C ATOM 962 O ARG A 67 -6.065 -10.560 -2.848 1.00 0.00 O ATOM 963 CB ARG A 67 -8.413 -10.882 -0.455 1.00 0.00 C ATOM 964 CG ARG A 67 -8.422 -10.307 0.952 1.00 0.00 C ATOM 965 CD ARG A 67 -8.887 -11.334 1.974 1.00 0.00 C ATOM 966 NE ARG A 67 -10.098 -10.906 2.668 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.690 -11.611 3.630 1.00 0.00 C ATOM 968 NH1 ARG A 67 -10.184 -12.776 4.014 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.789 -11.148 4.210 1.00 0.00 N ATOM 0 H ARG A 67 -6.263 -11.250 1.058 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.231 -12.332 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.685 -10.097 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.178 -11.655 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.421 -9.962 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.077 -9.437 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.073 -12.285 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.094 -11.506 2.702 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.515 -10.015 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.338 -13.135 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.641 -13.312 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.180 -10.252 3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.243 -11.688 4.947 1.00 0.00 H new ATOM 983 N PHE A 68 -5.780 -9.418 -0.931 1.00 0.00 N ATOM 984 CA PHE A 68 -4.994 -8.358 -1.552 1.00 0.00 C ATOM 985 C PHE A 68 -3.621 -8.874 -1.974 1.00 0.00 C ATOM 986 O PHE A 68 -2.993 -9.653 -1.258 1.00 0.00 O ATOM 987 CB PHE A 68 -4.837 -7.181 -0.586 1.00 0.00 C ATOM 988 CG PHE A 68 -6.039 -6.278 -0.533 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.323 -6.802 -0.565 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.883 -4.903 -0.449 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.427 -5.971 -0.514 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.984 -4.069 -0.399 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.257 -4.603 -0.431 1.00 0.00 C ATOM 0 H PHE A 68 -5.926 -9.302 0.072 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.523 -8.020 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.639 -7.567 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.966 -6.595 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.462 -7.871 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.890 -4.479 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.421 -6.391 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.849 -2.999 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.118 -3.952 -0.391 1.00 0.00 H new ATOM 1003 N THR A 69 -3.161 -8.433 -3.142 1.00 0.00 N ATOM 1004 CA THR A 69 -1.862 -8.850 -3.658 1.00 0.00 C ATOM 1005 C THR A 69 -0.877 -7.688 -3.645 1.00 0.00 C ATOM 1006 O THR A 69 -1.258 -6.535 -3.845 1.00 0.00 O ATOM 1007 CB THR A 69 -2.005 -9.400 -5.078 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.105 -10.288 -5.163 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.777 -10.144 -5.557 1.00 0.00 C ATOM 0 H THR A 69 -3.668 -7.788 -3.748 1.00 0.00 H new ATOM 0 HA THR A 69 -1.476 -9.638 -3.011 1.00 0.00 H new ATOM 0 HB THR A 69 -2.152 -8.527 -5.713 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.940 -9.776 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.944 -10.508 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.081 -9.472 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.582 -10.988 -4.896 1.00 0.00 H new ATOM 1017 N ILE A 70 0.391 -8.004 -3.402 1.00 0.00 N ATOM 1018 CA ILE A 70 1.439 -6.993 -3.351 1.00 0.00 C ATOM 1019 C ILE A 70 2.687 -7.464 -4.097 1.00 0.00 C ATOM 1020 O ILE A 70 3.059 -8.635 -4.026 1.00 0.00 O ATOM 1021 CB ILE A 70 1.802 -6.661 -1.889 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.917 -5.612 -1.818 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.203 -7.928 -1.151 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.405 -4.201 -1.626 1.00 0.00 C ATOM 0 H ILE A 70 0.718 -8.956 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 70 1.059 -6.094 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 70 0.922 -6.237 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.588 -5.862 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.505 -5.655 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.457 -7.683 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.372 -8.634 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.067 -8.377 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.248 -3.511 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.757 -3.933 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.841 -4.142 -0.695 1.00 0.00 H new ATOM 1036 N SER A 71 3.328 -6.543 -4.811 1.00 0.00 N ATOM 1037 CA SER A 71 4.532 -6.863 -5.569 1.00 0.00 C ATOM 1038 C SER A 71 5.437 -5.641 -5.690 1.00 0.00 C ATOM 1039 O SER A 71 5.166 -4.595 -5.100 1.00 0.00 O ATOM 1040 CB SER A 71 4.162 -7.378 -6.961 1.00 0.00 C ATOM 1041 OG SER A 71 2.844 -7.897 -6.980 1.00 0.00 O ATOM 0 H SER A 71 3.033 -5.569 -4.880 1.00 0.00 H new ATOM 0 HA SER A 71 5.073 -7.643 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.248 -6.569 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.866 -8.153 -7.264 1.00 0.00 H new ATOM 0 HG SER A 71 2.632 -8.218 -7.881 1.00 0.00 H new ATOM 1047 N ARG A 72 6.512 -5.780 -6.458 1.00 0.00 N ATOM 1048 CA ARG A 72 7.456 -4.686 -6.654 1.00 0.00 C ATOM 1049 C ARG A 72 7.758 -4.483 -8.136 1.00 0.00 C ATOM 1050 O ARG A 72 7.411 -5.318 -8.971 1.00 0.00 O ATOM 1051 CB ARG A 72 8.752 -4.962 -5.889 1.00 0.00 C ATOM 1052 CG ARG A 72 9.252 -3.770 -5.089 1.00 0.00 C ATOM 1053 CD ARG A 72 10.444 -4.143 -4.223 1.00 0.00 C ATOM 1054 NE ARG A 72 10.196 -5.354 -3.443 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.159 -6.132 -2.953 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.435 -5.828 -3.154 1.00 0.00 N ATOM 1057 NH2 ARG A 72 10.844 -7.217 -2.257 1.00 0.00 N ATOM 0 H ARG A 72 6.751 -6.638 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 72 7.001 -3.773 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.593 -5.802 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.524 -5.264 -6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.532 -2.965 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.448 -3.390 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.319 -4.292 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.675 -3.318 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 72 9.228 -5.619 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.683 -4.994 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.168 -6.428 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.865 -7.454 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.581 -7.814 -1.881 1.00 0.00 H new ATOM 1071 N ASP A 73 8.407 -3.367 -8.454 1.00 0.00 N ATOM 1072 CA ASP A 73 8.757 -3.053 -9.835 1.00 0.00 C ATOM 1073 C ASP A 73 10.198 -3.453 -10.134 1.00 0.00 C ATOM 1074 O ASP A 73 10.508 -3.926 -11.228 1.00 0.00 O ATOM 1075 CB ASP A 73 8.564 -1.560 -10.105 1.00 0.00 C ATOM 1076 CG ASP A 73 8.491 -1.245 -11.586 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.179 -2.163 -12.374 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.746 -0.080 -11.959 1.00 0.00 O ATOM 0 H ASP A 73 8.701 -2.665 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 73 8.097 -3.622 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.649 -1.221 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.388 -1.003 -9.658 1.00 0.00 H new ATOM 1083 N ASN A 74 11.076 -3.260 -9.155 1.00 0.00 N ATOM 1084 CA ASN A 74 12.485 -3.601 -9.313 1.00 0.00 C ATOM 1085 C ASN A 74 13.116 -2.790 -10.442 1.00 0.00 C ATOM 1086 O ASN A 74 13.975 -3.285 -11.171 1.00 0.00 O ATOM 1087 CB ASN A 74 12.641 -5.099 -9.588 1.00 0.00 C ATOM 1088 CG ASN A 74 13.133 -5.861 -8.372 1.00 0.00 C ATOM 1089 OD1 ASN A 74 12.524 -6.845 -7.953 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.242 -5.407 -7.799 1.00 0.00 N ATOM 0 H ASN A 74 10.836 -2.869 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 74 13.001 -3.357 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.683 -5.509 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.340 -5.244 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.621 -5.878 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.714 -4.587 -8.180 1.00 0.00 H new ATOM 1097 N ALA A 75 12.684 -1.541 -10.578 1.00 0.00 N ATOM 1098 CA ALA A 75 13.205 -0.662 -11.616 1.00 0.00 C ATOM 1099 C ALA A 75 13.391 0.757 -11.091 1.00 0.00 C ATOM 1100 O ALA A 75 14.515 1.244 -10.972 1.00 0.00 O ATOM 1101 CB ALA A 75 12.281 -0.665 -12.823 1.00 0.00 C ATOM 0 H ALA A 75 11.974 -1.115 -9.982 1.00 0.00 H new ATOM 0 HA ALA A 75 14.181 -1.039 -11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.683 -0.004 -13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.204 -1.677 -13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.292 -0.316 -12.525 1.00 0.00 H new ATOM 1107 N LYS A 76 12.280 1.418 -10.780 1.00 0.00 N ATOM 1108 CA LYS A 76 12.320 2.783 -10.269 1.00 0.00 C ATOM 1109 C LYS A 76 11.885 2.830 -8.807 1.00 0.00 C ATOM 1110 O LYS A 76 11.332 3.829 -8.346 1.00 0.00 O ATOM 1111 CB LYS A 76 11.423 3.691 -11.114 1.00 0.00 C ATOM 1112 CG LYS A 76 12.196 4.661 -11.992 1.00 0.00 C ATOM 1113 CD LYS A 76 13.168 3.932 -12.904 1.00 0.00 C ATOM 1114 CE LYS A 76 13.919 4.899 -13.806 1.00 0.00 C ATOM 1115 NZ LYS A 76 13.348 4.933 -15.181 1.00 0.00 N ATOM 0 H LYS A 76 11.341 1.030 -10.873 1.00 0.00 H new ATOM 0 HA LYS A 76 13.348 3.140 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.785 3.072 -11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.766 4.256 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.499 5.244 -12.593 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.742 5.365 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.880 3.367 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.624 3.211 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.885 5.899 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.968 4.609 -13.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.888 5.604 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.403 3.984 -15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.354 5.235 -15.137 1.00 0.00 H new ATOM 1129 N LYS A 77 12.136 1.745 -8.083 1.00 0.00 N ATOM 1130 CA LYS A 77 11.768 1.665 -6.674 1.00 0.00 C ATOM 1131 C LYS A 77 10.264 1.847 -6.499 1.00 0.00 C ATOM 1132 O LYS A 77 9.813 2.585 -5.622 1.00 0.00 O ATOM 1133 CB LYS A 77 12.520 2.728 -5.868 1.00 0.00 C ATOM 1134 CG LYS A 77 14.007 2.793 -6.182 1.00 0.00 C ATOM 1135 CD LYS A 77 14.498 4.230 -6.280 1.00 0.00 C ATOM 1136 CE LYS A 77 15.388 4.434 -7.496 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.612 4.888 -8.683 1.00 0.00 N ATOM 0 H LYS A 77 12.592 0.909 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 77 12.044 0.677 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.073 3.703 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.390 2.525 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.566 2.269 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.204 2.276 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.643 4.904 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.050 4.489 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.158 5.169 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.899 3.501 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.850 4.293 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.594 4.811 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.849 5.878 -8.895 1.00 0.00 H new ATOM 1151 N THR A 78 9.491 1.171 -7.343 1.00 0.00 N ATOM 1152 CA THR A 78 8.037 1.261 -7.286 1.00 0.00 C ATOM 1153 C THR A 78 7.420 -0.063 -6.849 1.00 0.00 C ATOM 1154 O THR A 78 7.976 -1.134 -7.095 1.00 0.00 O ATOM 1155 CB THR A 78 7.478 1.669 -8.653 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.873 2.989 -8.983 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.965 1.610 -8.731 1.00 0.00 C ATOM 0 H THR A 78 9.847 0.555 -8.074 1.00 0.00 H new ATOM 0 HA THR A 78 7.776 2.020 -6.549 1.00 0.00 H new ATOM 0 HB THR A 78 7.888 0.944 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.508 3.230 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.640 1.912 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.630 0.592 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.536 2.284 -7.990 1.00 0.00 H new ATOM 1165 N VAL A 79 6.259 0.024 -6.211 1.00 0.00 N ATOM 1166 CA VAL A 79 5.546 -1.158 -5.749 1.00 0.00 C ATOM 1167 C VAL A 79 4.158 -1.219 -6.375 1.00 0.00 C ATOM 1168 O VAL A 79 3.629 -0.203 -6.827 1.00 0.00 O ATOM 1169 CB VAL A 79 5.417 -1.181 -4.215 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.792 -1.192 -3.564 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.594 0.001 -3.724 1.00 0.00 C ATOM 0 H VAL A 79 5.791 0.906 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 79 6.126 -2.028 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 79 4.897 -2.095 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.681 -1.208 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.340 -2.078 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.341 -0.298 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.516 -0.036 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.079 0.931 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.596 -0.044 -4.161 1.00 0.00 H new ATOM 1181 N TYR A 80 3.573 -2.409 -6.405 1.00 0.00 N ATOM 1182 CA TYR A 80 2.249 -2.588 -6.985 1.00 0.00 C ATOM 1183 C TYR A 80 1.428 -3.584 -6.176 1.00 0.00 C ATOM 1184 O TYR A 80 1.893 -4.683 -5.878 1.00 0.00 O ATOM 1185 CB TYR A 80 2.371 -3.063 -8.431 1.00 0.00 C ATOM 1186 CG TYR A 80 3.343 -2.258 -9.249 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.056 -0.952 -9.615 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.545 -2.812 -9.665 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.942 -0.218 -10.374 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.436 -2.084 -10.422 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.129 -0.789 -10.774 1.00 0.00 C ATOM 1192 OH TYR A 80 6.016 -0.059 -11.531 1.00 0.00 O ATOM 0 H TYR A 80 3.993 -3.262 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 80 1.735 -1.627 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.682 -4.108 -8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.389 -3.020 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.125 -0.503 -9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.785 -3.829 -9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.707 0.798 -10.653 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.369 -2.526 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 80 5.649 0.835 -11.692 1.00 0.00 H new ATOM 1202 N LEU A 81 0.205 -3.200 -5.825 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.668 -4.074 -5.054 1.00 0.00 C ATOM 1204 C LEU A 81 -2.003 -4.272 -5.763 1.00 0.00 C ATOM 1205 O LEU A 81 -2.717 -3.312 -6.054 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.872 -3.519 -3.633 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.167 -2.735 -3.388 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.437 -2.609 -1.896 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.086 -1.360 -4.030 1.00 0.00 C ATOM 0 H LEU A 81 -0.201 -2.295 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.188 -5.049 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.840 -4.353 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.029 -2.870 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.993 -3.281 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.360 -2.050 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.536 -3.603 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.609 -2.084 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.013 -0.817 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.251 -0.807 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.936 -1.468 -5.104 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.325 -5.528 -6.042 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.563 -5.874 -6.719 1.00 0.00 C ATOM 1223 C GLN A 82 -4.647 -6.248 -5.714 1.00 0.00 C ATOM 1224 O GLN A 82 -4.718 -7.390 -5.259 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.315 -7.033 -7.673 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.169 -6.988 -8.929 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.702 -7.967 -9.988 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.254 -9.174 -9.962 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.855 -7.641 -10.820 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.739 -6.329 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.907 -5.006 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.263 -7.036 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.505 -7.970 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.204 -7.208 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.151 -5.979 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.458 -6.702 -10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.551 -8.310 -11.527 1.00 0.00 H new ATOM 1238 N MET A 83 -5.487 -5.280 -5.370 1.00 0.00 N ATOM 1239 CA MET A 83 -6.565 -5.505 -4.418 1.00 0.00 C ATOM 1240 C MET A 83 -7.720 -6.255 -5.073 1.00 0.00 C ATOM 1241 O MET A 83 -8.649 -5.644 -5.602 1.00 0.00 O ATOM 1242 CB MET A 83 -7.061 -4.174 -3.851 1.00 0.00 C ATOM 1243 CG MET A 83 -5.942 -3.217 -3.489 1.00 0.00 C ATOM 1244 SD MET A 83 -6.204 -1.556 -4.142 1.00 0.00 S ATOM 1245 CE MET A 83 -7.911 -1.275 -3.680 1.00 0.00 C ATOM 0 H MET A 83 -5.441 -4.330 -5.738 1.00 0.00 H new ATOM 0 HA MET A 83 -6.175 -6.115 -3.603 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.714 -3.697 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.664 -4.368 -2.964 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.851 -3.166 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.998 -3.608 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.080 -0.207 -3.546 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.567 -1.651 -4.465 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.126 -1.796 -2.747 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.653 -7.582 -5.038 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.687 -8.416 -5.627 1.00 0.00 C ATOM 1257 C ASN A 84 -9.807 -8.677 -4.628 1.00 0.00 C ATOM 1258 O ASN A 84 -9.724 -8.267 -3.470 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.106 -9.749 -6.110 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.587 -9.773 -6.141 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.931 -9.555 -5.123 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.023 -10.040 -7.313 1.00 0.00 N ATOM 0 H ASN A 84 -6.889 -8.102 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.095 -7.879 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.461 -10.548 -5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.485 -9.960 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.007 -10.071 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.606 -10.215 -8.132 1.00 0.00 H new ATOM 1269 N SER A 85 -10.848 -9.369 -5.088 1.00 0.00 N ATOM 1270 CA SER A 85 -11.998 -9.703 -4.247 1.00 0.00 C ATOM 1271 C SER A 85 -12.327 -8.575 -3.271 1.00 0.00 C ATOM 1272 O SER A 85 -12.643 -8.819 -2.107 1.00 0.00 O ATOM 1273 CB SER A 85 -11.723 -10.996 -3.480 1.00 0.00 C ATOM 1274 OG SER A 85 -12.921 -11.714 -3.242 1.00 0.00 O ATOM 0 H SER A 85 -10.919 -9.712 -6.046 1.00 0.00 H new ATOM 0 HA SER A 85 -12.861 -9.842 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.030 -11.618 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.240 -10.763 -2.531 1.00 0.00 H new ATOM 0 HG SER A 85 -12.717 -12.537 -2.751 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.244 -7.339 -3.755 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.525 -6.171 -2.930 1.00 0.00 C ATOM 1282 C LEU A 86 -13.868 -6.307 -2.222 1.00 0.00 C ATOM 1283 O LEU A 86 -14.732 -7.076 -2.643 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.505 -4.899 -3.783 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.525 -3.822 -3.311 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.190 -3.967 -4.025 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.106 -2.432 -3.536 1.00 0.00 C ATOM 0 H LEU A 86 -11.984 -7.121 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.746 -6.102 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.257 -5.171 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.509 -4.474 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.359 -3.953 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.505 -3.193 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.767 -4.949 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.339 -3.863 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.394 -1.680 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.304 -2.288 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.036 -2.332 -2.977 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.030 -5.556 -1.141 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.262 -5.587 -0.362 1.00 0.00 C ATOM 1301 C LYS A 87 -15.814 -4.177 -0.165 1.00 0.00 C ATOM 1302 O LYS A 87 -15.100 -3.193 -0.351 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.006 -6.243 0.996 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.929 -7.760 0.934 1.00 0.00 C ATOM 1305 CD LYS A 87 -13.492 -8.238 0.803 1.00 0.00 C ATOM 1306 CE LYS A 87 -13.407 -9.756 0.800 1.00 0.00 C ATOM 1307 NZ LYS A 87 -12.229 -10.245 0.031 1.00 0.00 N ATOM 0 H LYS A 87 -13.322 -4.916 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.001 -6.172 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.073 -5.857 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.801 -5.956 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.375 -8.185 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.513 -8.121 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.060 -7.847 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.899 -7.841 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.346 -10.118 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.319 -10.170 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.363 -11.248 -0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.131 -9.690 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.370 -10.138 0.607 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.100 -4.058 0.216 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.738 -2.757 0.436 1.00 0.00 C ATOM 1323 C PRO A 88 -17.301 -2.093 1.740 1.00 0.00 C ATOM 1324 O PRO A 88 -17.821 -1.042 2.116 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.226 -3.101 0.483 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.270 -4.502 0.988 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.032 -5.178 0.458 1.00 0.00 C ATOM 0 HA PRO A 88 -17.471 -2.040 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.769 -2.424 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.683 -3.020 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.289 -4.523 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.170 -5.012 0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.625 -5.890 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.239 -5.732 -0.458 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.341 -2.706 2.421 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.829 -2.172 3.678 1.00 0.00 C ATOM 1337 C GLU A 89 -14.405 -1.641 3.512 1.00 0.00 C ATOM 1338 O GLU A 89 -13.849 -1.037 4.430 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.858 -3.251 4.762 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.185 -3.340 5.497 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.312 -4.608 6.319 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.504 -5.687 5.721 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -17.220 -4.521 7.562 1.00 0.00 O ATOM 0 H GLU A 89 -15.900 -3.576 2.123 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.471 -1.344 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.639 -4.217 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.066 -3.051 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.293 -2.475 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.000 -3.297 4.775 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.818 -1.867 2.338 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.464 -1.410 2.060 1.00 0.00 C ATOM 1352 C ASP A 90 -12.450 0.070 1.686 1.00 0.00 C ATOM 1353 O ASP A 90 -11.412 0.727 1.760 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.849 -2.239 0.931 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.311 -3.571 1.416 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.183 -3.595 1.954 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.016 -4.589 1.257 1.00 0.00 O ATOM 0 H ASP A 90 -14.262 -2.364 1.566 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.871 -1.540 2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.601 -2.413 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.042 -1.672 0.466 1.00 0.00 H new ATOM 1362 N THR A 91 -13.608 0.591 1.283 1.00 0.00 N ATOM 1363 CA THR A 91 -13.732 1.987 0.899 1.00 0.00 C ATOM 1364 C THR A 91 -13.140 2.909 1.964 1.00 0.00 C ATOM 1365 O THR A 91 -13.721 3.093 3.034 1.00 0.00 O ATOM 1366 CB THR A 91 -15.204 2.310 0.673 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.720 1.529 -0.388 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.467 3.766 0.350 1.00 0.00 C ATOM 0 H THR A 91 -14.476 0.059 1.215 1.00 0.00 H new ATOM 0 HA THR A 91 -13.173 2.152 -0.022 1.00 0.00 H new ATOM 0 HB THR A 91 -15.699 2.081 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.695 1.624 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.536 3.919 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.122 4.390 1.175 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.933 4.039 -0.560 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.981 3.484 1.660 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.308 4.385 2.588 1.00 0.00 C ATOM 1378 C ALA A 92 -10.134 5.087 1.913 1.00 0.00 C ATOM 1379 O ALA A 92 -9.901 4.915 0.717 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.835 3.619 3.815 1.00 0.00 C ATOM 0 H ALA A 92 -11.488 3.342 0.778 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.021 5.147 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.334 4.303 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.692 3.168 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.140 2.837 3.510 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.396 5.876 2.686 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.248 6.600 2.164 1.00 0.00 C ATOM 1388 C VAL A 93 -6.987 5.743 2.235 1.00 0.00 C ATOM 1389 O VAL A 93 -6.398 5.580 3.303 1.00 0.00 O ATOM 1390 CB VAL A 93 -8.024 7.909 2.946 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.768 8.624 2.466 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.239 8.815 2.824 1.00 0.00 C ATOM 0 H VAL A 93 -9.575 6.029 3.678 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.456 6.840 1.121 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.885 7.657 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.634 9.544 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.903 7.977 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.867 8.863 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.064 9.735 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.411 9.054 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.114 8.306 3.228 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.578 5.199 1.093 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.396 4.364 1.025 1.00 0.00 C ATOM 1404 C TYR A 94 -4.141 5.224 0.916 1.00 0.00 C ATOM 1405 O TYR A 94 -3.892 5.846 -0.116 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.504 3.431 -0.178 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.149 2.099 0.135 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.382 2.037 0.773 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.530 0.905 -0.213 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -7.979 0.824 1.056 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.121 -0.313 0.068 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.345 -0.348 0.702 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.939 -1.559 0.981 1.00 0.00 O ATOM 0 H TYR A 94 -7.055 5.326 0.200 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.324 3.771 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.079 3.927 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.506 3.255 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.882 2.953 1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.572 0.929 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.938 0.794 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.626 -1.233 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.252 -2.256 1.032 1.00 0.00 H new ATOM 1423 N THR A 95 -3.359 5.264 1.989 1.00 0.00 N ATOM 1424 CA THR A 95 -2.137 6.061 2.009 1.00 0.00 C ATOM 1425 C THR A 95 -0.897 5.176 1.947 1.00 0.00 C ATOM 1426 O THR A 95 -0.768 4.216 2.703 1.00 0.00 O ATOM 1427 CB THR A 95 -2.092 6.929 3.268 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.273 7.703 3.386 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.916 7.881 3.297 1.00 0.00 C ATOM 0 H THR A 95 -3.548 4.756 2.853 1.00 0.00 H new ATOM 0 HA THR A 95 -2.143 6.702 1.128 1.00 0.00 H new ATOM 0 HB THR A 95 -1.993 6.229 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.226 8.250 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.944 8.466 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.013 7.313 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.969 8.551 2.439 1.00 0.00 H new ATOM 1437 N CYS A 96 0.017 5.513 1.043 1.00 0.00 N ATOM 1438 CA CYS A 96 1.252 4.754 0.886 1.00 0.00 C ATOM 1439 C CYS A 96 2.362 5.351 1.744 1.00 0.00 C ATOM 1440 O CYS A 96 2.502 6.571 1.831 1.00 0.00 O ATOM 1441 CB CYS A 96 1.680 4.733 -0.583 1.00 0.00 C ATOM 1442 SG CYS A 96 3.224 3.818 -0.896 1.00 0.00 S ATOM 0 H CYS A 96 -0.074 6.306 0.408 1.00 0.00 H new ATOM 0 HA CYS A 96 1.069 3.731 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.881 4.289 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.802 5.759 -0.929 1.00 0.00 H new ATOM 1447 N GLY A 97 3.146 4.487 2.380 1.00 0.00 N ATOM 1448 CA GLY A 97 4.228 4.956 3.223 1.00 0.00 C ATOM 1449 C GLY A 97 5.424 4.026 3.216 1.00 0.00 C ATOM 1450 O GLY A 97 5.392 2.962 2.597 1.00 0.00 O ATOM 0 H GLY A 97 3.051 3.473 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.541 5.945 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.865 5.066 4.245 1.00 0.00 H new ATOM 1454 N ALA A 98 6.482 4.433 3.909 1.00 0.00 N ATOM 1455 CA ALA A 98 7.702 3.638 3.989 1.00 0.00 C ATOM 1456 C ALA A 98 8.109 3.408 5.436 1.00 0.00 C ATOM 1457 O ALA A 98 7.512 3.965 6.359 1.00 0.00 O ATOM 1458 CB ALA A 98 8.823 4.314 3.219 1.00 0.00 C ATOM 0 H ALA A 98 6.519 5.312 4.425 1.00 0.00 H new ATOM 0 HA ALA A 98 7.506 2.666 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.727 3.710 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.535 4.418 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.013 5.300 3.643 1.00 0.00 H new ATOM 1464 N GLY A 99 9.122 2.576 5.626 1.00 0.00 N ATOM 1465 CA GLY A 99 9.588 2.272 6.966 1.00 0.00 C ATOM 1466 C GLY A 99 11.066 2.542 7.159 1.00 0.00 C ATOM 1467 O GLY A 99 11.761 2.947 6.229 1.00 0.00 O ATOM 0 H GLY A 99 9.631 2.105 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.020 2.864 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.385 1.224 7.185 1.00 0.00 H new ATOM 1471 N GLU A 100 11.540 2.316 8.380 1.00 0.00 N ATOM 1472 CA GLU A 100 12.940 2.531 8.717 1.00 0.00 C ATOM 1473 C GLU A 100 13.239 1.993 10.112 1.00 0.00 C ATOM 1474 O GLU A 100 12.609 2.395 11.091 1.00 0.00 O ATOM 1475 CB GLU A 100 13.278 4.019 8.645 1.00 0.00 C ATOM 1476 CG GLU A 100 13.828 4.455 7.298 1.00 0.00 C ATOM 1477 CD GLU A 100 14.825 5.591 7.417 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.484 5.694 8.472 1.00 0.00 O ATOM 1479 OE2 GLU A 100 14.947 6.377 6.454 1.00 0.00 O ATOM 0 H GLU A 100 10.969 1.982 9.156 1.00 0.00 H new ATOM 0 HA GLU A 100 13.557 1.994 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.381 4.598 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.008 4.255 9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.307 3.605 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.004 4.765 6.656 1.00 0.00 H new ATOM 1486 N GLY A 101 14.196 1.076 10.196 1.00 0.00 N ATOM 1487 CA GLY A 101 14.555 0.495 11.472 1.00 0.00 C ATOM 1488 C GLY A 101 13.410 -0.274 12.107 1.00 0.00 C ATOM 1489 O GLY A 101 13.448 -0.580 13.299 1.00 0.00 O ATOM 0 H GLY A 101 14.729 0.725 9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.405 -0.173 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.876 1.286 12.150 1.00 0.00 H new ATOM 1493 N GLY A 102 12.389 -0.588 11.312 1.00 0.00 N ATOM 1494 CA GLY A 102 11.248 -1.322 11.826 1.00 0.00 C ATOM 1495 C GLY A 102 10.027 -0.445 12.029 1.00 0.00 C ATOM 1496 O GLY A 102 8.936 -0.947 12.300 1.00 0.00 O ATOM 0 H GLY A 102 12.333 -0.347 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.000 -2.128 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.518 -1.786 12.775 1.00 0.00 H new ATOM 1500 N THR A 103 10.206 0.868 11.906 1.00 0.00 N ATOM 1501 CA THR A 103 9.116 1.809 12.085 1.00 0.00 C ATOM 1502 C THR A 103 8.566 2.264 10.735 1.00 0.00 C ATOM 1503 O THR A 103 9.063 1.862 9.683 1.00 0.00 O ATOM 1504 CB THR A 103 9.622 3.010 12.874 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.454 2.592 13.941 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.525 3.871 13.460 1.00 0.00 C ATOM 0 H THR A 103 11.102 1.301 11.682 1.00 0.00 H new ATOM 0 HA THR A 103 8.309 1.320 12.631 1.00 0.00 H new ATOM 0 HB THR A 103 10.170 3.610 12.147 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.771 3.377 14.435 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.968 4.704 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.897 4.257 12.657 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.918 3.274 14.140 1.00 0.00 H new ATOM 1514 N TRP A 104 7.543 3.109 10.775 1.00 0.00 N ATOM 1515 CA TRP A 104 6.925 3.628 9.561 1.00 0.00 C ATOM 1516 C TRP A 104 6.556 5.097 9.726 1.00 0.00 C ATOM 1517 O TRP A 104 5.459 5.426 10.178 1.00 0.00 O ATOM 1518 CB TRP A 104 5.683 2.813 9.204 1.00 0.00 C ATOM 1519 CG TRP A 104 5.992 1.390 8.864 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.181 0.363 9.741 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.155 0.837 7.553 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.448 -0.799 9.056 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.437 -0.533 7.711 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.088 1.366 6.261 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.652 -1.379 6.626 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.302 0.526 5.185 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.581 -0.833 5.373 1.00 0.00 C ATOM 0 H TRP A 104 7.122 3.451 11.639 1.00 0.00 H new ATOM 0 HA TRP A 104 7.648 3.542 8.750 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.987 2.837 10.042 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.179 3.281 8.358 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.129 0.450 10.816 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.625 -1.710 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.873 2.413 6.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.867 -2.428 6.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.253 0.924 4.182 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.744 -1.464 4.511 1.00 0.00 H new ATOM 1538 N ASP A 105 7.482 5.975 9.359 1.00 0.00 N ATOM 1539 CA ASP A 105 7.261 7.411 9.467 1.00 0.00 C ATOM 1540 C ASP A 105 7.122 8.059 8.088 1.00 0.00 C ATOM 1541 O ASP A 105 6.808 9.245 7.983 1.00 0.00 O ATOM 1542 CB ASP A 105 8.405 8.058 10.247 1.00 0.00 C ATOM 1543 CG ASP A 105 8.343 9.574 10.238 1.00 0.00 C ATOM 1544 OD1 ASP A 105 8.758 10.179 9.227 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.880 10.155 11.242 1.00 0.00 O ATOM 0 H ASP A 105 8.394 5.716 8.983 1.00 0.00 H new ATOM 0 HA ASP A 105 6.326 7.571 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.381 7.705 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.356 7.736 9.822 1.00 0.00 H new ATOM 1550 N SER A 106 7.353 7.281 7.033 1.00 0.00 N ATOM 1551 CA SER A 106 7.246 7.793 5.672 1.00 0.00 C ATOM 1552 C SER A 106 5.834 7.596 5.129 1.00 0.00 C ATOM 1553 O SER A 106 5.270 6.506 5.225 1.00 0.00 O ATOM 1554 CB SER A 106 8.260 7.098 4.761 1.00 0.00 C ATOM 1555 OG SER A 106 9.279 7.994 4.354 1.00 0.00 O ATOM 0 H SER A 106 7.615 6.297 7.095 1.00 0.00 H new ATOM 0 HA SER A 106 7.463 8.861 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.704 6.252 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.751 6.698 3.884 1.00 0.00 H new ATOM 0 HG SER A 106 9.817 7.579 3.648 1.00 0.00 H new ATOM 1561 N TRP A 107 5.269 8.656 4.562 1.00 0.00 N ATOM 1562 CA TRP A 107 3.922 8.597 4.007 1.00 0.00 C ATOM 1563 C TRP A 107 3.828 9.400 2.714 1.00 0.00 C ATOM 1564 O TRP A 107 4.697 10.219 2.414 1.00 0.00 O ATOM 1565 CB TRP A 107 2.907 9.125 5.021 1.00 0.00 C ATOM 1566 CG TRP A 107 3.113 8.589 6.404 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.691 9.236 7.458 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.743 7.291 6.884 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.702 8.421 8.564 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.126 7.222 8.237 1.00 0.00 C ATOM 1571 CE3 TRP A 107 2.125 6.182 6.301 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.910 6.086 9.014 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.911 5.057 7.073 1.00 0.00 C ATOM 1574 CH2 TRP A 107 2.302 5.016 8.417 1.00 0.00 C ATOM 0 H TRP A 107 5.722 9.566 4.475 1.00 0.00 H new ATOM 0 HA TRP A 107 3.695 7.555 3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.965 10.213 5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.902 8.868 4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.083 10.242 7.427 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.078 8.668 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.820 6.204 5.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.212 6.051 10.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 1.434 4.194 6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 107 2.120 4.121 8.994 1.00 0.00 H new ATOM 1585 N GLY A 108 2.766 9.159 1.954 1.00 0.00 N ATOM 1586 CA GLY A 108 2.573 9.866 0.702 1.00 0.00 C ATOM 1587 C GLY A 108 1.478 10.912 0.790 1.00 0.00 C ATOM 1588 O GLY A 108 1.397 11.654 1.768 1.00 0.00 O ATOM 0 H GLY A 108 2.035 8.486 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.507 10.346 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.325 9.150 -0.082 1.00 0.00 H new ATOM 1592 N GLN A 109 0.634 10.971 -0.236 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.460 11.931 -0.273 1.00 0.00 C ATOM 1594 C GLN A 109 -1.787 11.256 0.057 1.00 0.00 C ATOM 1595 O GLN A 109 -2.656 11.848 0.697 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.540 12.592 -1.648 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.371 13.865 -1.665 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.572 15.088 -1.262 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.744 15.623 -0.167 1.00 0.00 O ATOM 1600 NE2 GLN A 109 0.308 15.538 -2.149 1.00 0.00 N ATOM 0 H GLN A 109 0.689 10.363 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.264 12.696 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.469 12.822 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.963 11.882 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.779 14.015 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.218 13.750 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.417 15.063 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.874 16.359 -1.934 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.935 10.012 -0.385 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.156 9.271 -0.130 1.00 0.00 C ATOM 1611 C GLY A 110 -3.974 9.043 -1.385 1.00 0.00 C ATOM 1612 O GLY A 110 -3.929 9.844 -2.319 1.00 0.00 O ATOM 0 H GLY A 110 -1.229 9.503 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.906 8.308 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.759 9.812 0.599 1.00 0.00 H new ATOM 1616 N THR A 111 -4.726 7.949 -1.404 1.00 0.00 N ATOM 1617 CA THR A 111 -5.565 7.613 -2.548 1.00 0.00 C ATOM 1618 C THR A 111 -6.862 6.960 -2.084 1.00 0.00 C ATOM 1619 O THR A 111 -6.874 5.798 -1.680 1.00 0.00 O ATOM 1620 CB THR A 111 -4.817 6.681 -3.506 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.700 6.146 -4.476 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.141 5.519 -2.811 1.00 0.00 C ATOM 0 H THR A 111 -4.772 7.278 -0.638 1.00 0.00 H new ATOM 0 HA THR A 111 -5.808 8.534 -3.078 1.00 0.00 H new ATOM 0 HB THR A 111 -4.049 7.301 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.498 6.535 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.631 4.900 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.415 5.898 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.889 4.921 -2.291 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.953 7.716 -2.131 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.249 7.206 -1.703 1.00 0.00 C ATOM 1632 C GLN A 112 -9.705 6.053 -2.589 1.00 0.00 C ATOM 1633 O GLN A 112 -9.514 6.068 -3.805 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.290 8.336 -1.691 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.740 7.882 -1.818 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.403 7.699 -0.472 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.675 7.108 0.464 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.556 8.085 -0.274 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.966 8.681 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.147 6.821 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.182 8.899 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.068 9.022 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.299 8.616 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.777 6.943 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.079 8.535 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.988 7.954 0.641 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.313 5.059 -1.957 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.811 3.888 -2.655 1.00 0.00 C ATOM 1649 C VAL A 113 -12.319 3.756 -2.459 1.00 0.00 C ATOM 1650 O VAL A 113 -12.814 3.830 -1.334 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.110 2.620 -2.136 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.808 1.359 -2.629 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.645 2.619 -2.545 1.00 0.00 C ATOM 0 H VAL A 113 -10.473 5.044 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.598 4.004 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.168 2.625 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.288 0.481 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.840 1.353 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.797 1.339 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.163 1.716 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.571 2.646 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.150 3.495 -2.126 1.00 0.00 H new ATOM 1663 N THR A 114 -13.044 3.569 -3.556 1.00 0.00 N ATOM 1664 CA THR A 114 -14.492 3.436 -3.500 1.00 0.00 C ATOM 1665 C THR A 114 -14.935 2.048 -3.957 1.00 0.00 C ATOM 1666 O THR A 114 -14.482 1.549 -4.987 1.00 0.00 O ATOM 1667 CB THR A 114 -15.147 4.511 -4.370 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.856 5.804 -3.871 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.654 4.383 -4.459 1.00 0.00 C ATOM 0 H THR A 114 -12.651 3.506 -4.495 1.00 0.00 H new ATOM 0 HA THR A 114 -14.808 3.567 -2.465 1.00 0.00 H new ATOM 0 HB THR A 114 -14.730 4.365 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.282 6.478 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.050 5.178 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.912 3.415 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.086 4.464 -3.461 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.828 1.435 -3.186 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.341 0.116 -3.510 1.00 0.00 C ATOM 1679 C VAL A 115 -17.856 0.089 -3.368 1.00 0.00 C ATOM 1680 O VAL A 115 -18.458 1.014 -2.821 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.731 -0.977 -2.605 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.794 -2.333 -3.290 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.297 -0.632 -2.228 1.00 0.00 C ATOM 0 H VAL A 115 -16.210 1.836 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.058 -0.093 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.319 -1.026 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.360 -3.091 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.833 -2.587 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.234 -2.295 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.890 -1.417 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.693 -0.548 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.280 0.317 -1.691 1.00 0.00 H new ATOM 1693 N SER A 116 -18.465 -0.972 -3.867 1.00 0.00 N ATOM 1694 CA SER A 116 -19.914 -1.126 -3.804 1.00 0.00 C ATOM 1695 C SER A 116 -20.300 -2.591 -3.618 1.00 0.00 C ATOM 1696 O SER A 116 -19.462 -3.425 -3.276 1.00 0.00 O ATOM 1697 CB SER A 116 -20.559 -0.572 -5.076 1.00 0.00 C ATOM 1698 OG SER A 116 -21.955 -0.394 -4.905 1.00 0.00 O ATOM 0 H SER A 116 -17.979 -1.745 -4.323 1.00 0.00 H new ATOM 0 HA SER A 116 -20.278 -0.564 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.097 0.380 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.375 -1.253 -5.907 1.00 0.00 H new ATOM 0 HG SER A 116 -22.161 -0.323 -3.950 1.00 0.00 H new ATOM 1704 N SER A 117 -21.574 -2.896 -3.846 1.00 0.00 N ATOM 1705 CA SER A 117 -22.072 -4.260 -3.704 1.00 0.00 C ATOM 1706 C SER A 117 -23.038 -4.605 -4.833 1.00 0.00 C ATOM 1707 O SER A 117 -23.143 -5.801 -5.176 1.00 0.00 O ATOM 1708 CB SER A 117 -22.767 -4.435 -2.353 1.00 0.00 C ATOM 1709 OG SER A 117 -21.943 -3.983 -1.292 1.00 0.00 O ATOM 1710 OXT SER A 117 -23.681 -3.675 -5.365 1.00 0.00 O ATOM 0 H SER A 117 -22.280 -2.217 -4.130 1.00 0.00 H new ATOM 0 HA SER A 117 -21.220 -4.938 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.706 -3.881 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.016 -5.485 -2.202 1.00 0.00 H new ATOM 0 HG SER A 117 -22.411 -4.104 -0.440 1.00 0.00 H new TER 1716 SER A 117