USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 0.672 K(o=0.29,f=-9.4!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.384 USER MOD Set 2.1: A 69 GLN : amide:sc= -0.894 K(o=0.14,f=0.79) USER MOD Set 2.2: A 76 TYR OH : rot 95:sc= 1.04 USER MOD Set 3.1: A 64 SER OG : rot -102:sc= 1.24 USER MOD Set 3.2: A 65 SER OG : rot 63:sc= 0.00688 USER MOD Set 4.1: A 37 HIS : no HD1:sc= -2.07 K(o=-4.7,f=-2.4) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -2.59 K(o=-4.7,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -113:sc= -0.183 (180deg=-0.306) USER MOD Single : A 3 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.12) USER MOD Single : A 4 MET CE :methyl -112:sc= -0.159 (180deg=-2.52!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.198 USER MOD Single : A 8 MET CE :methyl -111:sc= -1.26 (180deg=-3.63!) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0.76 (180deg=0.574) USER MOD Single : A 16 ASN : amide:sc= 0.3 K(o=0.3,f=-4.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc=-0.00853 X(o=-0.0085,f=-0.011) USER MOD Single : A 22 THR OG1 : rot 49:sc= 0.0783 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -41:sc= 0.0325 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 28 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.21) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.27) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0278 (180deg=-0.176) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.928 USER MOD Single : A 55 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 0.588 (180deg=0.265) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= -0.0138 (180deg=-0.0714) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.415 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.279) USER MOD Single : A 93 SER OG : rot -130:sc= -0.0644 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 154:sc= -0.219 (180deg=-0.875) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= -0.827 (180deg=-2.39!) USER MOD Single : A 102 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.924 -16.214 -4.789 1.00 0.00 N ATOM 2 CA GLY A 1 -18.458 -16.550 -6.106 1.00 0.00 C ATOM 3 C GLY A 1 -18.133 -15.467 -7.096 1.00 0.00 C ATOM 4 O GLY A 1 -17.738 -14.366 -6.701 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.166 -16.881 -4.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.542 -15.247 -4.806 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.683 -16.274 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.039 -17.498 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.538 -16.683 -6.044 1.00 0.00 H new ATOM 10 N ALA A 2 -18.280 -15.765 -8.373 1.00 0.00 N ATOM 11 CA ALA A 2 -18.023 -14.803 -9.424 1.00 0.00 C ATOM 12 C ALA A 2 -19.311 -14.049 -9.740 1.00 0.00 C ATOM 13 O ALA A 2 -20.271 -14.115 -8.960 1.00 0.00 O ATOM 14 CB ALA A 2 -17.498 -15.518 -10.668 1.00 0.00 C ATOM 0 H ALA A 2 -18.581 -16.680 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.266 -14.091 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.307 -14.788 -11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.572 -16.039 -10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.240 -16.238 -11.014 1.00 0.00 H new ATOM 20 N HIS A 3 -19.335 -13.354 -10.883 1.00 0.00 N ATOM 21 CA HIS A 3 -20.483 -12.557 -11.348 1.00 0.00 C ATOM 22 C HIS A 3 -20.965 -11.563 -10.300 1.00 0.00 C ATOM 23 O HIS A 3 -22.060 -11.693 -9.747 1.00 0.00 O ATOM 24 CB HIS A 3 -21.643 -13.402 -12.006 1.00 0.00 C ATOM 25 CG HIS A 3 -22.322 -14.462 -11.140 1.00 0.00 C ATOM 26 ND1 HIS A 3 -21.925 -15.780 -11.108 1.00 0.00 N ATOM 27 CD2 HIS A 3 -23.382 -14.384 -10.298 1.00 0.00 C ATOM 28 CE1 HIS A 3 -22.701 -16.458 -10.295 1.00 0.00 C ATOM 29 NE2 HIS A 3 -23.590 -15.635 -9.792 1.00 0.00 N ATOM 0 H HIS A 3 -18.543 -13.327 -11.525 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.100 -11.960 -12.176 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.410 -12.709 -12.352 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.239 -13.897 -12.889 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -23.955 -13.497 -10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.621 -17.513 -10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -24.321 -15.889 -9.128 1.00 0.00 H new ATOM 38 N MET A 4 -20.102 -10.593 -10.021 1.00 0.00 N ATOM 39 CA MET A 4 -20.306 -9.573 -8.998 1.00 0.00 C ATOM 40 C MET A 4 -20.167 -10.220 -7.637 1.00 0.00 C ATOM 41 O MET A 4 -21.156 -10.540 -6.972 1.00 0.00 O ATOM 42 CB MET A 4 -21.653 -8.805 -9.108 1.00 0.00 C ATOM 43 CG MET A 4 -21.846 -7.799 -10.272 1.00 0.00 C ATOM 44 SD MET A 4 -21.926 -8.516 -11.947 1.00 0.00 S ATOM 45 CE MET A 4 -20.201 -8.585 -12.423 1.00 0.00 C ATOM 0 H MET A 4 -19.215 -10.491 -10.514 1.00 0.00 H new ATOM 0 HA MET A 4 -19.542 -8.811 -9.151 1.00 0.00 H new ATOM 0 HB2 MET A 4 -22.450 -9.545 -9.176 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.801 -8.262 -8.174 1.00 0.00 H new ATOM 0 HG2 MET A 4 -22.765 -7.240 -10.094 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.026 -7.081 -10.245 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.018 -7.876 -13.230 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.577 -8.329 -11.567 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.957 -9.592 -12.762 1.00 0.00 H new ATOM 55 N GLY A 5 -18.934 -10.475 -7.260 1.00 0.00 N ATOM 56 CA GLY A 5 -18.655 -11.166 -6.009 1.00 0.00 C ATOM 57 C GLY A 5 -18.600 -10.255 -4.793 1.00 0.00 C ATOM 58 O GLY A 5 -18.268 -10.705 -3.691 1.00 0.00 O ATOM 0 H GLY A 5 -18.106 -10.217 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -19.421 -11.924 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.703 -11.689 -6.100 1.00 0.00 H new ATOM 62 N GLY A 6 -18.931 -8.997 -4.975 1.00 0.00 N ATOM 63 CA GLY A 6 -18.890 -8.060 -3.876 1.00 0.00 C ATOM 64 C GLY A 6 -17.583 -7.338 -3.852 1.00 0.00 C ATOM 65 O GLY A 6 -16.735 -7.615 -3.008 1.00 0.00 O ATOM 0 H GLY A 6 -19.229 -8.601 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.706 -7.344 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.037 -8.589 -2.934 1.00 0.00 H new ATOM 69 N SER A 7 -17.390 -6.432 -4.788 1.00 0.00 N ATOM 70 CA SER A 7 -16.141 -5.734 -4.889 1.00 0.00 C ATOM 71 C SER A 7 -15.999 -4.710 -3.776 1.00 0.00 C ATOM 72 O SER A 7 -16.909 -3.910 -3.512 1.00 0.00 O ATOM 73 CB SER A 7 -15.994 -5.120 -6.258 1.00 0.00 C ATOM 74 OG SER A 7 -16.278 -6.066 -7.286 1.00 0.00 O ATOM 0 H SER A 7 -18.086 -6.167 -5.485 1.00 0.00 H new ATOM 0 HA SER A 7 -15.326 -6.447 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.667 -4.267 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.980 -4.740 -6.381 1.00 0.00 H new ATOM 0 HG SER A 7 -16.176 -5.638 -8.162 1.00 0.00 H new ATOM 80 N MET A 8 -14.870 -4.741 -3.154 1.00 0.00 N ATOM 81 CA MET A 8 -14.597 -3.966 -1.974 1.00 0.00 C ATOM 82 C MET A 8 -13.524 -2.964 -2.216 1.00 0.00 C ATOM 83 O MET A 8 -12.574 -3.246 -2.911 1.00 0.00 O ATOM 84 CB MET A 8 -14.131 -4.878 -0.891 1.00 0.00 C ATOM 85 CG MET A 8 -15.077 -6.009 -0.644 1.00 0.00 C ATOM 86 SD MET A 8 -14.729 -6.921 0.821 1.00 0.00 S ATOM 87 CE MET A 8 -15.916 -8.206 0.604 1.00 0.00 C ATOM 0 H MET A 8 -14.085 -5.319 -3.454 1.00 0.00 H new ATOM 0 HA MET A 8 -15.514 -3.447 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.152 -5.279 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.004 -4.308 0.029 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.091 -5.615 -0.583 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.049 -6.686 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.702 -8.106 1.353 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.353 -8.133 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.429 -9.174 0.717 1.00 0.00 H new ATOM 97 N LYS A 9 -13.678 -1.799 -1.660 1.00 0.00 N ATOM 98 CA LYS A 9 -12.666 -0.778 -1.749 1.00 0.00 C ATOM 99 C LYS A 9 -11.884 -0.808 -0.433 1.00 0.00 C ATOM 100 O LYS A 9 -12.295 -0.229 0.573 1.00 0.00 O ATOM 101 CB LYS A 9 -13.296 0.595 -2.026 1.00 0.00 C ATOM 102 CG LYS A 9 -12.361 1.643 -2.568 1.00 0.00 C ATOM 103 CD LYS A 9 -13.140 2.910 -2.874 1.00 0.00 C ATOM 104 CE LYS A 9 -12.420 3.814 -3.852 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.120 4.326 -3.354 1.00 0.00 N ATOM 0 H LYS A 9 -14.506 -1.526 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.989 -0.964 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.114 0.463 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.733 0.968 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.575 1.853 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.872 1.277 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.115 2.643 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.320 3.454 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.252 3.268 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.064 4.660 -4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.760 5.052 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.250 4.742 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.438 3.543 -3.297 1.00 0.00 H new ATOM 119 N ILE A 10 -10.797 -1.524 -0.465 1.00 0.00 N ATOM 120 CA ILE A 10 -9.993 -1.833 0.682 1.00 0.00 C ATOM 121 C ILE A 10 -8.708 -1.046 0.664 1.00 0.00 C ATOM 122 O ILE A 10 -8.097 -0.900 -0.387 1.00 0.00 O ATOM 123 CB ILE A 10 -9.663 -3.334 0.618 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.944 -4.134 0.767 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.605 -3.741 1.638 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.806 -5.574 0.420 1.00 0.00 C ATOM 0 H ILE A 10 -10.431 -1.926 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.534 -1.579 1.593 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.224 -3.553 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.293 -4.051 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.712 -3.691 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.408 -4.810 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.686 -3.186 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.964 -3.518 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.765 -6.074 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.488 -5.669 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.063 -6.035 1.071 1.00 0.00 H new ATOM 138 N ARG A 11 -8.304 -0.545 1.806 1.00 0.00 N ATOM 139 CA ARG A 11 -7.032 0.090 1.939 1.00 0.00 C ATOM 140 C ARG A 11 -5.935 -0.899 1.827 1.00 0.00 C ATOM 141 O ARG A 11 -5.972 -1.970 2.422 1.00 0.00 O ATOM 142 CB ARG A 11 -6.897 0.792 3.276 1.00 0.00 C ATOM 143 CG ARG A 11 -7.573 2.143 3.311 1.00 0.00 C ATOM 144 CD ARG A 11 -7.305 2.859 4.618 1.00 0.00 C ATOM 145 NE ARG A 11 -7.620 2.020 5.778 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.665 2.183 6.590 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.564 3.137 6.347 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.814 1.378 7.637 1.00 0.00 N ATOM 0 H ARG A 11 -8.854 -0.570 2.665 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.963 0.822 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.323 0.160 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.839 0.916 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.216 2.752 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.647 2.018 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.257 3.157 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.898 3.772 4.659 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.987 1.247 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.454 3.747 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.361 3.257 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.131 0.641 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.611 1.497 8.262 1.00 0.00 H new ATOM 162 N VAL A 12 -5.007 -0.572 1.036 1.00 0.00 N ATOM 163 CA VAL A 12 -3.892 -1.365 0.806 1.00 0.00 C ATOM 164 C VAL A 12 -2.682 -0.597 1.214 1.00 0.00 C ATOM 165 O VAL A 12 -2.512 0.519 0.721 1.00 0.00 O ATOM 166 CB VAL A 12 -3.756 -1.584 -0.730 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.600 -2.511 -1.031 1.00 0.00 C ATOM 168 CG2 VAL A 12 -5.035 -2.150 -1.294 1.00 0.00 C ATOM 0 H VAL A 12 -5.006 0.300 0.506 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.987 -2.305 1.349 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.562 -0.620 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.519 -2.653 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.676 -2.075 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.771 -3.474 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.925 -2.298 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.252 -3.106 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.854 -1.456 -1.105 1.00 0.00 H new ATOM 178 N GLU A 13 -1.866 -1.113 2.092 1.00 0.00 N ATOM 179 CA GLU A 13 -0.619 -0.460 2.305 1.00 0.00 C ATOM 180 C GLU A 13 0.299 -0.917 1.186 1.00 0.00 C ATOM 181 O GLU A 13 0.078 -1.952 0.608 1.00 0.00 O ATOM 182 CB GLU A 13 0.169 -0.781 3.567 1.00 0.00 C ATOM 183 CG GLU A 13 -0.488 -0.367 4.862 1.00 0.00 C ATOM 184 CD GLU A 13 -0.897 1.060 4.960 1.00 0.00 C ATOM 185 OE1 GLU A 13 -0.050 1.916 5.181 1.00 0.00 O ATOM 186 OE2 GLU A 13 -2.103 1.331 4.905 1.00 0.00 O ATOM 0 H GLU A 13 -2.037 -1.951 2.648 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.887 0.595 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.351 -1.855 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.142 -0.295 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.371 -0.988 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.199 -0.584 5.680 1.00 0.00 H new ATOM 193 N LEU A 14 1.313 -0.186 0.908 1.00 0.00 N ATOM 194 CA LEU A 14 2.280 -0.588 -0.075 1.00 0.00 C ATOM 195 C LEU A 14 3.686 -0.461 0.462 1.00 0.00 C ATOM 196 O LEU A 14 4.032 0.548 1.075 1.00 0.00 O ATOM 197 CB LEU A 14 2.035 0.247 -1.362 1.00 0.00 C ATOM 198 CG LEU A 14 3.103 0.382 -2.490 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.157 1.418 -2.165 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.741 -0.937 -2.858 1.00 0.00 C ATOM 0 H LEU A 14 1.508 0.712 1.350 1.00 0.00 H new ATOM 0 HA LEU A 14 2.163 -1.643 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.137 -0.157 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.796 1.259 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 14 2.556 0.729 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.877 1.473 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.683 2.390 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.672 1.137 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.475 -0.778 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.235 -1.359 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.974 -1.627 -3.209 1.00 0.00 H new ATOM 212 N ILE A 15 4.497 -1.495 0.261 1.00 0.00 N ATOM 213 CA ILE A 15 5.916 -1.379 0.545 1.00 0.00 C ATOM 214 C ILE A 15 6.668 -1.394 -0.795 1.00 0.00 C ATOM 215 O ILE A 15 6.664 -2.406 -1.517 1.00 0.00 O ATOM 216 CB ILE A 15 6.606 -2.494 1.466 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.300 -2.258 2.968 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.123 -2.609 1.262 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.835 -2.265 3.341 1.00 0.00 C ATOM 0 H ILE A 15 4.200 -2.405 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 15 5.983 -0.457 1.123 1.00 0.00 H new ATOM 0 HB ILE A 15 6.166 -3.439 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.809 -3.026 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.728 -1.299 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.521 -3.383 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.332 -2.870 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.595 -1.655 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.731 -2.091 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.316 -1.478 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.399 -3.231 3.086 1.00 0.00 H new ATOM 231 N ASN A 16 7.276 -0.299 -1.130 1.00 0.00 N ATOM 232 CA ASN A 16 8.104 -0.190 -2.326 1.00 0.00 C ATOM 233 C ASN A 16 9.550 -0.033 -1.919 1.00 0.00 C ATOM 234 O ASN A 16 10.441 0.224 -2.728 1.00 0.00 O ATOM 235 CB ASN A 16 7.644 0.978 -3.190 1.00 0.00 C ATOM 236 CG ASN A 16 7.715 2.334 -2.483 1.00 0.00 C ATOM 237 OD1 ASN A 16 7.616 2.431 -1.247 1.00 0.00 O ATOM 238 ND2 ASN A 16 7.833 3.379 -3.246 1.00 0.00 N ATOM 0 H ASN A 16 7.221 0.562 -0.586 1.00 0.00 H new ATOM 0 HA ASN A 16 8.004 -1.097 -2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.257 1.016 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.618 0.799 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.846 4.312 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.912 3.266 -4.257 1.00 0.00 H new ATOM 245 N GLY A 17 9.745 -0.275 -0.682 1.00 0.00 N ATOM 246 CA GLY A 17 10.992 -0.121 -0.012 1.00 0.00 C ATOM 247 C GLY A 17 10.680 0.309 1.383 1.00 0.00 C ATOM 248 O GLY A 17 9.500 0.295 1.762 1.00 0.00 O ATOM 0 H GLY A 17 9.001 -0.605 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.550 -1.058 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.613 0.620 -0.516 1.00 0.00 H new ATOM 252 N ASN A 18 11.658 0.673 2.154 1.00 0.00 N ATOM 253 CA ASN A 18 11.419 1.131 3.507 1.00 0.00 C ATOM 254 C ASN A 18 12.039 2.490 3.708 1.00 0.00 C ATOM 255 O ASN A 18 11.906 3.118 4.759 1.00 0.00 O ATOM 256 CB ASN A 18 12.042 0.167 4.484 1.00 0.00 C ATOM 257 CG ASN A 18 11.399 -1.209 4.521 1.00 0.00 C ATOM 258 OD1 ASN A 18 10.445 -1.447 5.268 1.00 0.00 O ATOM 259 ND2 ASN A 18 11.937 -2.134 3.767 1.00 0.00 N ATOM 0 H ASN A 18 12.639 0.665 1.876 1.00 0.00 H new ATOM 0 HA ASN A 18 10.343 1.190 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.097 0.053 4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.994 0.602 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.569 -3.085 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.724 -1.904 3.161 1.00 0.00 H new ATOM 266 N GLU A 19 12.681 2.941 2.677 1.00 0.00 N ATOM 267 CA GLU A 19 13.493 4.100 2.700 1.00 0.00 C ATOM 268 C GLU A 19 12.682 5.351 2.414 1.00 0.00 C ATOM 269 O GLU A 19 11.694 5.304 1.676 1.00 0.00 O ATOM 270 CB GLU A 19 14.606 3.964 1.645 1.00 0.00 C ATOM 271 CG GLU A 19 15.556 2.752 1.797 1.00 0.00 C ATOM 272 CD GLU A 19 14.856 1.403 1.712 1.00 0.00 C ATOM 273 OE1 GLU A 19 14.103 1.159 0.739 1.00 0.00 O ATOM 274 OE2 GLU A 19 14.972 0.605 2.650 1.00 0.00 O ATOM 0 H GLU A 19 12.648 2.488 1.763 1.00 0.00 H new ATOM 0 HA GLU A 19 13.924 4.193 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.139 3.911 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.207 4.873 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.320 2.803 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.069 2.824 2.756 1.00 0.00 H new ATOM 281 N HIS A 20 13.102 6.453 3.022 1.00 0.00 N ATOM 282 CA HIS A 20 12.530 7.793 2.807 1.00 0.00 C ATOM 283 C HIS A 20 11.161 7.997 3.387 1.00 0.00 C ATOM 284 O HIS A 20 10.457 8.947 3.033 1.00 0.00 O ATOM 285 CB HIS A 20 12.589 8.237 1.366 1.00 0.00 C ATOM 286 CG HIS A 20 13.963 8.524 0.865 1.00 0.00 C ATOM 287 ND1 HIS A 20 14.503 7.922 -0.243 1.00 0.00 N ATOM 288 CD2 HIS A 20 14.899 9.381 1.313 1.00 0.00 C ATOM 289 CE1 HIS A 20 15.711 8.394 -0.451 1.00 0.00 C ATOM 290 NE2 HIS A 20 15.973 9.279 0.477 1.00 0.00 N ATOM 0 H HIS A 20 13.868 6.449 3.696 1.00 0.00 H new ATOM 0 HA HIS A 20 13.189 8.445 3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.142 7.463 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.979 9.133 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.816 10.029 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.375 8.102 -1.251 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.841 9.808 0.562 1.00 0.00 H new ATOM 299 N ARG A 21 10.799 7.171 4.313 1.00 0.00 N ATOM 300 CA ARG A 21 9.527 7.334 4.991 1.00 0.00 C ATOM 301 C ARG A 21 9.751 7.337 6.470 1.00 0.00 C ATOM 302 O ARG A 21 9.382 6.401 7.175 1.00 0.00 O ATOM 303 CB ARG A 21 8.493 6.266 4.631 1.00 0.00 C ATOM 304 CG ARG A 21 8.221 6.097 3.170 1.00 0.00 C ATOM 305 CD ARG A 21 7.111 5.104 2.972 1.00 0.00 C ATOM 306 NE ARG A 21 7.373 3.838 3.658 1.00 0.00 N ATOM 307 CZ ARG A 21 7.859 2.742 3.096 1.00 0.00 C ATOM 308 NH1 ARG A 21 8.193 2.729 1.801 1.00 0.00 N ATOM 309 NH2 ARG A 21 8.020 1.654 3.832 1.00 0.00 N ATOM 0 H ARG A 21 11.354 6.375 4.626 1.00 0.00 H new ATOM 0 HA ARG A 21 9.115 8.285 4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.829 5.310 5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.556 6.510 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.948 7.055 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.122 5.756 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.177 5.528 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.979 4.917 1.906 1.00 0.00 H new ATOM 0 HE ARG A 21 7.163 3.796 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.074 3.569 1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.566 1.879 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.771 1.666 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.393 0.804 3.410 1.00 0.00 H new ATOM 323 N THR A 22 10.415 8.340 6.938 1.00 0.00 N ATOM 324 CA THR A 22 10.671 8.432 8.321 1.00 0.00 C ATOM 325 C THR A 22 9.626 9.287 9.004 1.00 0.00 C ATOM 326 O THR A 22 9.739 10.513 9.063 1.00 0.00 O ATOM 327 CB THR A 22 12.101 8.927 8.599 1.00 0.00 C ATOM 328 OG1 THR A 22 12.380 10.090 7.791 1.00 0.00 O ATOM 329 CG2 THR A 22 13.106 7.839 8.279 1.00 0.00 C ATOM 0 H THR A 22 10.788 9.105 6.376 1.00 0.00 H new ATOM 0 HA THR A 22 10.601 7.431 8.746 1.00 0.00 H new ATOM 0 HB THR A 22 12.182 9.187 9.655 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.643 10.730 7.873 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.113 8.203 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.906 6.965 8.899 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.023 7.565 7.227 1.00 0.00 H new ATOM 337 N SER A 23 8.565 8.650 9.412 1.00 0.00 N ATOM 338 CA SER A 23 7.516 9.298 10.123 1.00 0.00 C ATOM 339 C SER A 23 7.982 9.547 11.568 1.00 0.00 C ATOM 340 O SER A 23 7.937 8.649 12.416 1.00 0.00 O ATOM 341 CB SER A 23 6.269 8.419 10.077 1.00 0.00 C ATOM 342 OG SER A 23 5.988 8.005 8.733 1.00 0.00 O ATOM 0 H SER A 23 8.409 7.654 9.255 1.00 0.00 H new ATOM 0 HA SER A 23 7.270 10.259 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.412 7.543 10.710 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.417 8.967 10.479 1.00 0.00 H new ATOM 0 HG SER A 23 5.186 7.441 8.725 1.00 0.00 H new ATOM 348 N SER A 24 8.506 10.737 11.811 1.00 0.00 N ATOM 349 CA SER A 24 9.040 11.102 13.110 1.00 0.00 C ATOM 350 C SER A 24 7.948 11.791 13.938 1.00 0.00 C ATOM 351 O SER A 24 8.131 12.129 15.116 1.00 0.00 O ATOM 352 CB SER A 24 10.265 12.021 12.915 1.00 0.00 C ATOM 353 OG SER A 24 11.021 12.184 14.117 1.00 0.00 O ATOM 0 H SER A 24 8.573 11.477 11.112 1.00 0.00 H new ATOM 0 HA SER A 24 9.362 10.212 13.651 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.907 11.606 12.139 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.931 12.997 12.564 1.00 0.00 H new ATOM 0 HG SER A 24 10.410 12.294 14.875 1.00 0.00 H new ATOM 359 N THR A 25 6.817 11.964 13.317 1.00 0.00 N ATOM 360 CA THR A 25 5.663 12.554 13.923 1.00 0.00 C ATOM 361 C THR A 25 4.924 11.490 14.774 1.00 0.00 C ATOM 362 O THR A 25 5.331 10.316 14.770 1.00 0.00 O ATOM 363 CB THR A 25 4.771 13.092 12.784 1.00 0.00 C ATOM 364 OG1 THR A 25 4.937 12.240 11.620 1.00 0.00 O ATOM 365 CG2 THR A 25 5.144 14.525 12.429 1.00 0.00 C ATOM 0 H THR A 25 6.670 11.689 12.346 1.00 0.00 H new ATOM 0 HA THR A 25 5.934 13.372 14.591 1.00 0.00 H new ATOM 0 HB THR A 25 3.732 13.086 13.113 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.374 12.571 10.890 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.500 14.880 11.624 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.015 15.162 13.304 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.184 14.561 12.104 1.00 0.00 H new ATOM 373 N PRO A 26 3.882 11.864 15.561 1.00 0.00 N ATOM 374 CA PRO A 26 3.050 10.887 16.333 1.00 0.00 C ATOM 375 C PRO A 26 2.155 10.039 15.392 1.00 0.00 C ATOM 376 O PRO A 26 0.947 9.869 15.622 1.00 0.00 O ATOM 377 CB PRO A 26 2.181 11.802 17.208 1.00 0.00 C ATOM 378 CG PRO A 26 2.120 13.089 16.472 1.00 0.00 C ATOM 379 CD PRO A 26 3.460 13.258 15.831 1.00 0.00 C ATOM 0 HA PRO A 26 3.649 10.172 16.896 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.186 11.382 17.352 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.618 11.933 18.198 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.328 13.074 15.723 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.903 13.916 17.148 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.397 13.845 14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.160 13.771 16.490 1.00 0.00 H new ATOM 387 N GLN A 27 2.792 9.469 14.400 1.00 0.00 N ATOM 388 CA GLN A 27 2.259 8.748 13.347 1.00 0.00 C ATOM 389 C GLN A 27 3.273 7.699 13.043 1.00 0.00 C ATOM 390 O GLN A 27 4.206 7.937 12.298 1.00 0.00 O ATOM 391 CB GLN A 27 2.115 9.634 12.158 1.00 0.00 C ATOM 392 CG GLN A 27 1.038 10.681 12.261 1.00 0.00 C ATOM 393 CD GLN A 27 1.051 11.652 11.112 1.00 0.00 C ATOM 394 OE1 GLN A 27 1.712 12.687 11.178 1.00 0.00 O ATOM 395 NE2 GLN A 27 0.324 11.348 10.079 1.00 0.00 N ATOM 0 H GLN A 27 3.808 9.525 14.335 1.00 0.00 H new ATOM 0 HA GLN A 27 1.281 8.332 13.590 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.068 10.133 11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.913 9.013 11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.065 10.191 12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.160 11.230 13.195 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.208 10.478 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.285 11.979 9.279 1.00 0.00 H new ATOM 404 N GLN A 28 3.186 6.646 13.781 1.00 0.00 N ATOM 405 CA GLN A 28 4.070 5.471 13.650 1.00 0.00 C ATOM 406 C GLN A 28 4.328 5.088 12.183 1.00 0.00 C ATOM 407 O GLN A 28 3.383 4.986 11.382 1.00 0.00 O ATOM 408 CB GLN A 28 3.495 4.265 14.398 1.00 0.00 C ATOM 409 CG GLN A 28 3.313 4.493 15.885 1.00 0.00 C ATOM 410 CD GLN A 28 4.584 4.938 16.554 1.00 0.00 C ATOM 411 OE1 GLN A 28 4.855 6.129 16.661 1.00 0.00 O ATOM 412 NE2 GLN A 28 5.376 4.005 16.985 1.00 0.00 N ATOM 0 H GLN A 28 2.490 6.546 14.520 1.00 0.00 H new ATOM 0 HA GLN A 28 5.023 5.756 14.095 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.532 4.004 13.960 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.155 3.410 14.250 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.540 5.245 16.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.963 3.572 16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.115 3.025 16.878 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.259 4.252 17.431 1.00 0.00 H new ATOM 421 N PRO A 29 5.611 4.816 11.828 1.00 0.00 N ATOM 422 CA PRO A 29 6.041 4.510 10.437 1.00 0.00 C ATOM 423 C PRO A 29 5.623 3.116 9.950 1.00 0.00 C ATOM 424 O PRO A 29 6.214 2.540 9.018 1.00 0.00 O ATOM 425 CB PRO A 29 7.560 4.641 10.502 1.00 0.00 C ATOM 426 CG PRO A 29 7.900 4.293 11.910 1.00 0.00 C ATOM 427 CD PRO A 29 6.765 4.802 12.758 1.00 0.00 C ATOM 0 HA PRO A 29 5.569 5.181 9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.048 3.968 9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.883 5.652 10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.019 3.216 12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.843 4.752 12.207 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.582 4.152 13.614 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.974 5.797 13.152 1.00 0.00 H new ATOM 435 N GLN A 30 4.583 2.626 10.542 1.00 0.00 N ATOM 436 CA GLN A 30 3.990 1.385 10.181 1.00 0.00 C ATOM 437 C GLN A 30 2.947 1.631 9.129 1.00 0.00 C ATOM 438 O GLN A 30 2.443 0.705 8.500 1.00 0.00 O ATOM 439 CB GLN A 30 3.390 0.690 11.368 1.00 0.00 C ATOM 440 CG GLN A 30 4.399 0.277 12.415 1.00 0.00 C ATOM 441 CD GLN A 30 3.775 -0.506 13.544 1.00 0.00 C ATOM 442 OE1 GLN A 30 2.605 -0.309 13.894 1.00 0.00 O ATOM 443 NE2 GLN A 30 4.521 -1.402 14.101 1.00 0.00 N ATOM 0 H GLN A 30 4.110 3.095 11.314 1.00 0.00 H new ATOM 0 HA GLN A 30 4.766 0.728 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.654 1.349 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.855 -0.195 11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.177 -0.325 11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.883 1.166 12.818 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.481 -1.535 13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.149 -1.977 14.857 1.00 0.00 H new ATOM 452 N GLN A 31 2.599 2.893 8.967 1.00 0.00 N ATOM 453 CA GLN A 31 1.722 3.296 7.942 1.00 0.00 C ATOM 454 C GLN A 31 2.570 3.669 6.771 1.00 0.00 C ATOM 455 O GLN A 31 3.637 4.293 6.923 1.00 0.00 O ATOM 456 CB GLN A 31 0.905 4.451 8.355 1.00 0.00 C ATOM 457 CG GLN A 31 0.195 4.268 9.690 1.00 0.00 C ATOM 458 CD GLN A 31 -0.648 5.458 10.062 1.00 0.00 C ATOM 459 OE1 GLN A 31 -1.830 5.524 9.727 1.00 0.00 O ATOM 460 NE2 GLN A 31 -0.058 6.408 10.746 1.00 0.00 N ATOM 0 H GLN A 31 2.932 3.654 9.559 1.00 0.00 H new ATOM 0 HA GLN A 31 1.033 2.487 7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.545 5.332 8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.160 4.649 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.436 3.380 9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.935 4.093 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.924 6.315 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.581 7.240 11.020 1.00 0.00 H new ATOM 469 N ASN A 32 2.117 3.307 5.660 1.00 0.00 N ATOM 470 CA ASN A 32 2.812 3.381 4.448 1.00 0.00 C ATOM 471 C ASN A 32 1.948 4.114 3.435 1.00 0.00 C ATOM 472 O ASN A 32 0.856 4.592 3.783 1.00 0.00 O ATOM 473 CB ASN A 32 3.034 1.927 3.977 1.00 0.00 C ATOM 474 CG ASN A 32 3.962 1.117 4.860 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.185 1.121 4.700 1.00 0.00 O ATOM 476 ND2 ASN A 32 3.391 0.392 5.785 1.00 0.00 N ATOM 0 H ASN A 32 1.179 2.920 5.555 1.00 0.00 H new ATOM 0 HA ASN A 32 3.760 3.908 4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.069 1.423 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.438 1.944 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.959 -0.191 6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.377 0.410 5.893 1.00 0.00 H new ATOM 483 N PRO A 33 2.443 4.330 2.197 1.00 0.00 N ATOM 484 CA PRO A 33 1.590 4.763 1.098 1.00 0.00 C ATOM 485 C PRO A 33 0.439 3.762 0.965 1.00 0.00 C ATOM 486 O PRO A 33 0.668 2.548 0.950 1.00 0.00 O ATOM 487 CB PRO A 33 2.526 4.695 -0.129 1.00 0.00 C ATOM 488 CG PRO A 33 3.762 4.000 0.335 1.00 0.00 C ATOM 489 CD PRO A 33 3.852 4.254 1.796 1.00 0.00 C ATOM 0 HA PRO A 33 1.152 5.753 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.056 4.151 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.756 5.694 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.710 2.931 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.642 4.382 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.378 3.453 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.386 5.179 2.014 1.00 0.00 H new ATOM 497 N SER A 34 -0.762 4.253 0.868 1.00 0.00 N ATOM 498 CA SER A 34 -1.917 3.405 0.883 1.00 0.00 C ATOM 499 C SER A 34 -2.956 3.901 -0.121 1.00 0.00 C ATOM 500 O SER A 34 -2.891 5.055 -0.570 1.00 0.00 O ATOM 501 CB SER A 34 -2.481 3.302 2.333 1.00 0.00 C ATOM 502 OG SER A 34 -2.497 4.595 2.965 1.00 0.00 O ATOM 0 H SER A 34 -0.968 5.248 0.777 1.00 0.00 H new ATOM 0 HA SER A 34 -1.638 2.398 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.490 2.891 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.871 2.613 2.918 1.00 0.00 H new ATOM 0 HG SER A 34 -2.856 4.511 3.873 1.00 0.00 H new ATOM 508 N VAL A 35 -3.863 3.035 -0.485 1.00 0.00 N ATOM 509 CA VAL A 35 -4.922 3.326 -1.421 1.00 0.00 C ATOM 510 C VAL A 35 -6.086 2.458 -1.087 1.00 0.00 C ATOM 511 O VAL A 35 -5.905 1.374 -0.581 1.00 0.00 O ATOM 512 CB VAL A 35 -4.483 3.079 -2.920 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.039 1.654 -3.163 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.579 3.412 -3.907 1.00 0.00 C ATOM 0 H VAL A 35 -3.889 2.079 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.180 4.382 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.640 3.752 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.748 1.537 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.189 1.423 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.860 0.974 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.225 3.225 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.451 2.789 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.852 4.462 -3.807 1.00 0.00 H new ATOM 524 N SER A 36 -7.251 2.927 -1.335 1.00 0.00 N ATOM 525 CA SER A 36 -8.387 2.145 -1.172 1.00 0.00 C ATOM 526 C SER A 36 -8.731 1.608 -2.561 1.00 0.00 C ATOM 527 O SER A 36 -9.235 2.330 -3.423 1.00 0.00 O ATOM 528 CB SER A 36 -9.464 2.956 -0.583 1.00 0.00 C ATOM 529 OG SER A 36 -9.005 3.632 0.577 1.00 0.00 O ATOM 0 H SER A 36 -7.430 3.877 -1.660 1.00 0.00 H new ATOM 0 HA SER A 36 -8.235 1.310 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.822 3.680 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.309 2.317 -0.327 1.00 0.00 H new ATOM 0 HG SER A 36 -9.734 4.167 0.954 1.00 0.00 H new ATOM 535 N HIS A 37 -8.448 0.359 -2.756 1.00 0.00 N ATOM 536 CA HIS A 37 -8.500 -0.264 -4.023 1.00 0.00 C ATOM 537 C HIS A 37 -9.674 -1.222 -4.085 1.00 0.00 C ATOM 538 O HIS A 37 -10.025 -1.836 -3.099 1.00 0.00 O ATOM 539 CB HIS A 37 -7.161 -0.992 -4.251 1.00 0.00 C ATOM 540 CG HIS A 37 -7.090 -1.795 -5.506 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.580 -1.337 -6.681 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.505 -3.033 -5.743 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.696 -2.265 -7.593 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.264 -3.316 -7.056 1.00 0.00 N ATOM 0 H HIS A 37 -8.165 -0.270 -2.005 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.646 0.474 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.360 -0.253 -4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.973 -1.651 -3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.955 -3.700 -5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.376 -2.180 -8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.486 -4.189 -7.534 1.00 0.00 H new ATOM 553 N ILE A 38 -10.231 -1.339 -5.248 1.00 0.00 N ATOM 554 CA ILE A 38 -11.407 -2.166 -5.558 1.00 0.00 C ATOM 555 C ILE A 38 -10.879 -3.610 -5.793 1.00 0.00 C ATOM 556 O ILE A 38 -10.145 -3.891 -6.766 1.00 0.00 O ATOM 557 CB ILE A 38 -11.958 -1.640 -6.823 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.399 -0.169 -6.664 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.131 -2.538 -7.182 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.523 0.056 -5.662 1.00 0.00 C ATOM 0 H ILE A 38 -9.877 -0.843 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.162 -2.156 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.209 -1.646 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.536 0.423 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.717 0.207 -7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.580 -2.195 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.781 -3.563 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.875 -2.501 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.764 1.118 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.405 -0.504 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.205 -0.285 -4.676 1.00 0.00 H new ATOM 572 N PHE A 39 -11.193 -4.455 -4.908 1.00 0.00 N ATOM 573 CA PHE A 39 -10.840 -5.817 -4.993 1.00 0.00 C ATOM 574 C PHE A 39 -12.076 -6.624 -5.169 1.00 0.00 C ATOM 575 O PHE A 39 -13.134 -6.257 -4.677 1.00 0.00 O ATOM 576 CB PHE A 39 -10.137 -6.277 -3.761 1.00 0.00 C ATOM 577 CG PHE A 39 -8.774 -5.750 -3.548 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.682 -6.385 -4.097 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.580 -4.659 -2.763 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.411 -5.932 -3.856 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.321 -4.189 -2.519 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.227 -4.833 -3.064 1.00 0.00 C ATOM 0 H PHE A 39 -11.723 -4.218 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.166 -5.944 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.747 -6.007 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.083 -7.365 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.829 -7.251 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.431 -4.157 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.561 -6.439 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.181 -3.315 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.230 -4.469 -2.865 1.00 0.00 H new ATOM 592 N ASP A 40 -11.934 -7.701 -5.849 1.00 0.00 N ATOM 593 CA ASP A 40 -12.994 -8.603 -6.146 1.00 0.00 C ATOM 594 C ASP A 40 -12.372 -9.985 -6.241 1.00 0.00 C ATOM 595 O ASP A 40 -11.173 -10.141 -5.955 1.00 0.00 O ATOM 596 CB ASP A 40 -13.674 -8.218 -7.479 1.00 0.00 C ATOM 597 CG ASP A 40 -12.687 -8.145 -8.633 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.153 -9.184 -9.027 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.415 -7.040 -9.139 1.00 0.00 O ATOM 0 H ASP A 40 -11.036 -7.995 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.763 -8.574 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.449 -8.948 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.169 -7.253 -7.366 1.00 0.00 H new ATOM 604 N GLY A 41 -13.131 -10.934 -6.709 1.00 0.00 N ATOM 605 CA GLY A 41 -12.656 -12.294 -6.807 1.00 0.00 C ATOM 606 C GLY A 41 -12.749 -12.771 -8.228 1.00 0.00 C ATOM 607 O GLY A 41 -12.625 -13.962 -8.518 1.00 0.00 O ATOM 0 H GLY A 41 -14.088 -10.795 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.624 -12.353 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.246 -12.941 -6.158 1.00 0.00 H new ATOM 611 N GLU A 42 -12.924 -11.828 -9.117 1.00 0.00 N ATOM 612 CA GLU A 42 -13.146 -12.092 -10.481 1.00 0.00 C ATOM 613 C GLU A 42 -11.905 -11.756 -11.304 1.00 0.00 C ATOM 614 O GLU A 42 -11.581 -12.435 -12.275 1.00 0.00 O ATOM 615 CB GLU A 42 -14.368 -11.329 -10.900 1.00 0.00 C ATOM 616 CG GLU A 42 -15.631 -11.777 -10.162 1.00 0.00 C ATOM 617 CD GLU A 42 -16.820 -10.898 -10.421 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.436 -11.006 -11.504 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.178 -10.086 -9.547 1.00 0.00 O ATOM 0 H GLU A 42 -12.912 -10.834 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.327 -13.153 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.206 -10.266 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.517 -11.452 -11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.872 -12.798 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.429 -11.795 -9.091 1.00 0.00 H new ATOM 626 N THR A 43 -11.206 -10.739 -10.881 1.00 0.00 N ATOM 627 CA THR A 43 -9.987 -10.343 -11.432 1.00 0.00 C ATOM 628 C THR A 43 -8.860 -10.997 -10.630 1.00 0.00 C ATOM 629 O THR A 43 -8.922 -11.034 -9.381 1.00 0.00 O ATOM 630 CB THR A 43 -9.878 -8.824 -11.333 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.869 -8.188 -12.152 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.496 -8.313 -11.663 1.00 0.00 C ATOM 0 H THR A 43 -11.506 -10.150 -10.104 1.00 0.00 H new ATOM 0 HA THR A 43 -9.917 -10.645 -12.477 1.00 0.00 H new ATOM 0 HB THR A 43 -10.064 -8.564 -10.291 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.783 -7.215 -12.073 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.479 -7.227 -11.576 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.774 -8.744 -10.970 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.236 -8.599 -12.682 1.00 0.00 H new ATOM 640 N ALA A 44 -7.886 -11.551 -11.331 1.00 0.00 N ATOM 641 CA ALA A 44 -6.725 -12.152 -10.728 1.00 0.00 C ATOM 642 C ALA A 44 -6.022 -11.192 -9.798 1.00 0.00 C ATOM 643 O ALA A 44 -6.056 -9.963 -9.984 1.00 0.00 O ATOM 644 CB ALA A 44 -5.753 -12.611 -11.786 1.00 0.00 C ATOM 0 H ALA A 44 -7.886 -11.593 -12.350 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.072 -13.009 -10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.883 -13.062 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.236 -13.346 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.437 -11.757 -12.385 1.00 0.00 H new ATOM 650 N VAL A 45 -5.371 -11.760 -8.819 1.00 0.00 N ATOM 651 CA VAL A 45 -4.621 -11.026 -7.819 1.00 0.00 C ATOM 652 C VAL A 45 -3.610 -10.134 -8.494 1.00 0.00 C ATOM 653 O VAL A 45 -3.601 -8.938 -8.287 1.00 0.00 O ATOM 654 CB VAL A 45 -3.823 -11.954 -6.905 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.995 -11.131 -5.945 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.788 -12.811 -6.140 1.00 0.00 C ATOM 0 H VAL A 45 -5.343 -12.771 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.350 -10.462 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.156 -12.581 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.426 -11.795 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.308 -10.498 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.653 -10.506 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.236 -13.481 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.445 -12.177 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.385 -13.398 -6.838 1.00 0.00 H new ATOM 666 N LYS A 46 -2.793 -10.751 -9.329 1.00 0.00 N ATOM 667 CA LYS A 46 -1.713 -10.055 -10.044 1.00 0.00 C ATOM 668 C LYS A 46 -2.219 -8.894 -10.878 1.00 0.00 C ATOM 669 O LYS A 46 -1.533 -7.919 -11.057 1.00 0.00 O ATOM 670 CB LYS A 46 -0.800 -10.986 -10.888 1.00 0.00 C ATOM 671 CG LYS A 46 -1.499 -11.932 -11.871 1.00 0.00 C ATOM 672 CD LYS A 46 -1.856 -13.273 -11.230 1.00 0.00 C ATOM 673 CE LYS A 46 -2.566 -14.207 -12.206 1.00 0.00 C ATOM 674 NZ LYS A 46 -1.771 -14.481 -13.413 1.00 0.00 N ATOM 0 H LYS A 46 -2.851 -11.748 -9.537 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.084 -9.653 -9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.107 -10.362 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.203 -11.588 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.406 -11.458 -12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.851 -12.104 -12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.948 -13.753 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.495 -13.101 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.791 -15.148 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.519 -13.765 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.219 -15.245 -13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.721 -13.623 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.810 -14.769 -13.138 1.00 0.00 H new ATOM 688 N ASP A 47 -3.421 -8.996 -11.363 1.00 0.00 N ATOM 689 CA ASP A 47 -4.014 -7.914 -12.105 1.00 0.00 C ATOM 690 C ASP A 47 -4.414 -6.790 -11.190 1.00 0.00 C ATOM 691 O ASP A 47 -4.266 -5.626 -11.540 1.00 0.00 O ATOM 692 CB ASP A 47 -5.165 -8.361 -12.973 1.00 0.00 C ATOM 693 CG ASP A 47 -4.732 -8.973 -14.269 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.226 -8.239 -15.134 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.873 -10.199 -14.446 1.00 0.00 O ATOM 0 H ASP A 47 -4.015 -9.819 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.249 -7.542 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.766 -9.084 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.807 -7.505 -13.181 1.00 0.00 H new ATOM 700 N HIS A 48 -4.904 -7.136 -10.004 1.00 0.00 N ATOM 701 CA HIS A 48 -5.193 -6.153 -8.975 1.00 0.00 C ATOM 702 C HIS A 48 -3.862 -5.470 -8.597 1.00 0.00 C ATOM 703 O HIS A 48 -3.806 -4.259 -8.393 1.00 0.00 O ATOM 704 CB HIS A 48 -5.823 -6.796 -7.715 1.00 0.00 C ATOM 705 CG HIS A 48 -7.203 -7.402 -7.828 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.339 -6.687 -8.121 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.624 -8.679 -7.624 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.383 -7.483 -8.087 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.978 -8.695 -7.790 1.00 0.00 N ATOM 0 H HIS A 48 -5.109 -8.098 -9.734 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.916 -5.435 -9.362 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.146 -7.576 -7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.858 -6.034 -6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.001 -9.525 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.405 -7.189 -8.273 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.577 -9.515 -7.698 1.00 0.00 H new ATOM 718 N ILE A 49 -2.823 -6.274 -8.557 1.00 0.00 N ATOM 719 CA ILE A 49 -1.484 -5.845 -8.243 1.00 0.00 C ATOM 720 C ILE A 49 -0.907 -4.949 -9.328 1.00 0.00 C ATOM 721 O ILE A 49 -0.340 -3.923 -9.002 1.00 0.00 O ATOM 722 CB ILE A 49 -0.577 -7.038 -7.901 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.118 -7.728 -6.654 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.867 -6.575 -7.670 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.238 -8.817 -6.145 1.00 0.00 C ATOM 0 H ILE A 49 -2.892 -7.274 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.535 -5.230 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.573 -7.738 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.254 -6.985 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.102 -8.141 -6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.491 -7.436 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.244 -6.095 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.894 -5.865 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.687 -9.262 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.122 -9.580 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.739 -8.406 -5.891 1.00 0.00 H new ATOM 737 N LYS A 50 -1.076 -5.298 -10.615 1.00 0.00 N ATOM 738 CA LYS A 50 -0.626 -4.409 -11.695 1.00 0.00 C ATOM 739 C LYS A 50 -1.281 -3.034 -11.585 1.00 0.00 C ATOM 740 O LYS A 50 -0.654 -2.015 -11.880 1.00 0.00 O ATOM 741 CB LYS A 50 -0.857 -5.006 -13.090 1.00 0.00 C ATOM 742 CG LYS A 50 -0.058 -6.247 -13.383 1.00 0.00 C ATOM 743 CD LYS A 50 -0.171 -6.640 -14.840 1.00 0.00 C ATOM 744 CE LYS A 50 0.618 -7.899 -15.119 1.00 0.00 C ATOM 745 NZ LYS A 50 0.478 -8.331 -16.514 1.00 0.00 N ATOM 0 H LYS A 50 -1.510 -6.167 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 50 0.451 -4.295 -11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.916 -5.238 -13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.617 -4.250 -13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.988 -6.077 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.409 -7.065 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.218 -6.797 -15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.195 -5.829 -15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.671 -7.725 -14.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.279 -8.695 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.033 -9.197 -16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.524 -8.521 -16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.825 -7.582 -17.146 1.00 0.00 H new ATOM 759 N VAL A 51 -2.522 -3.009 -11.124 1.00 0.00 N ATOM 760 CA VAL A 51 -3.231 -1.767 -10.901 1.00 0.00 C ATOM 761 C VAL A 51 -2.620 -1.015 -9.737 1.00 0.00 C ATOM 762 O VAL A 51 -2.253 0.146 -9.884 1.00 0.00 O ATOM 763 CB VAL A 51 -4.722 -1.967 -10.635 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.391 -0.646 -10.348 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.400 -2.698 -11.762 1.00 0.00 C ATOM 0 H VAL A 51 -3.060 -3.845 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.134 -1.192 -11.822 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.821 -2.596 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.452 -0.809 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.934 -0.190 -9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.271 0.016 -11.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.459 -2.819 -11.532 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.292 -2.126 -12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.941 -3.679 -11.887 1.00 0.00 H new ATOM 775 N LEU A 52 -2.522 -1.663 -8.600 1.00 0.00 N ATOM 776 CA LEU A 52 -1.921 -1.079 -7.415 1.00 0.00 C ATOM 777 C LEU A 52 -0.540 -0.556 -7.699 1.00 0.00 C ATOM 778 O LEU A 52 -0.257 0.588 -7.383 1.00 0.00 O ATOM 779 CB LEU A 52 -1.866 -2.128 -6.343 1.00 0.00 C ATOM 780 CG LEU A 52 -3.214 -2.533 -5.836 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.148 -3.892 -5.247 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.694 -1.537 -4.824 1.00 0.00 C ATOM 0 H LEU A 52 -2.858 -2.617 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.527 -0.234 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.353 -3.008 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.270 -1.754 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.921 -2.554 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.134 -4.178 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.823 -4.603 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.438 -3.896 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.676 -1.835 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.992 -1.498 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.763 -0.553 -5.287 1.00 0.00 H new ATOM 794 N LEU A 53 0.301 -1.370 -8.333 1.00 0.00 N ATOM 795 CA LEU A 53 1.638 -0.961 -8.679 1.00 0.00 C ATOM 796 C LEU A 53 1.594 0.276 -9.533 1.00 0.00 C ATOM 797 O LEU A 53 2.274 1.219 -9.258 1.00 0.00 O ATOM 798 CB LEU A 53 2.378 -2.082 -9.383 1.00 0.00 C ATOM 799 CG LEU A 53 2.601 -3.330 -8.563 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.329 -4.336 -9.386 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.373 -3.019 -7.300 1.00 0.00 C ATOM 0 H LEU A 53 0.067 -2.322 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 53 2.181 -0.729 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.822 -2.353 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.347 -1.705 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 53 1.634 -3.736 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.492 -5.239 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.738 -4.580 -10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.291 -3.926 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.520 -3.935 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.343 -2.595 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.814 -2.302 -6.699 1.00 0.00 H new ATOM 813 N THR A 54 0.755 0.269 -10.534 1.00 0.00 N ATOM 814 CA THR A 54 0.567 1.377 -11.358 1.00 0.00 C ATOM 815 C THR A 54 0.061 2.633 -10.644 1.00 0.00 C ATOM 816 O THR A 54 0.531 3.747 -10.914 1.00 0.00 O ATOM 817 CB THR A 54 -0.271 0.965 -12.564 1.00 0.00 C ATOM 818 OG1 THR A 54 0.447 0.027 -13.360 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.752 2.099 -13.378 1.00 0.00 C ATOM 0 H THR A 54 0.182 -0.537 -10.784 1.00 0.00 H new ATOM 0 HA THR A 54 1.547 1.699 -11.709 1.00 0.00 H new ATOM 0 HB THR A 54 -1.172 0.495 -12.169 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.238 -0.883 -13.062 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.339 1.722 -14.215 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.373 2.751 -12.763 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.101 2.662 -13.757 1.00 0.00 H new ATOM 827 N HIS A 55 -0.818 2.459 -9.700 1.00 0.00 N ATOM 828 CA HIS A 55 -1.305 3.553 -8.908 1.00 0.00 C ATOM 829 C HIS A 55 -0.220 4.083 -7.947 1.00 0.00 C ATOM 830 O HIS A 55 -0.064 5.299 -7.770 1.00 0.00 O ATOM 831 CB HIS A 55 -2.638 3.143 -8.241 1.00 0.00 C ATOM 832 CG HIS A 55 -3.266 4.206 -7.395 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.198 5.099 -7.865 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.081 4.509 -6.100 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.551 5.911 -6.898 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.885 5.577 -5.813 1.00 0.00 N ATOM 0 H HIS A 55 -1.219 1.553 -9.457 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.531 4.412 -9.539 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.344 2.853 -9.019 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.464 2.262 -7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.420 4.003 -5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.266 6.716 -6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.957 6.039 -4.907 1.00 0.00 H new ATOM 845 N PHE A 56 0.568 3.181 -7.399 1.00 0.00 N ATOM 846 CA PHE A 56 1.689 3.546 -6.558 1.00 0.00 C ATOM 847 C PHE A 56 2.887 3.995 -7.391 1.00 0.00 C ATOM 848 O PHE A 56 3.868 4.497 -6.853 1.00 0.00 O ATOM 849 CB PHE A 56 2.071 2.404 -5.642 1.00 0.00 C ATOM 850 CG PHE A 56 1.072 2.149 -4.556 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.858 3.095 -3.573 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.352 0.973 -4.515 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.055 2.876 -2.567 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.562 0.740 -3.512 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.765 1.699 -2.533 1.00 0.00 C ATOM 0 H PHE A 56 0.450 2.176 -7.524 1.00 0.00 H new ATOM 0 HA PHE A 56 1.378 4.389 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.190 1.497 -6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.039 2.619 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.415 4.020 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.507 0.226 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.213 3.626 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.118 -0.186 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.481 1.522 -1.744 1.00 0.00 H new ATOM 865 N LYS A 57 2.779 3.791 -8.699 1.00 0.00 N ATOM 866 CA LYS A 57 3.775 4.216 -9.706 1.00 0.00 C ATOM 867 C LYS A 57 5.032 3.338 -9.698 1.00 0.00 C ATOM 868 O LYS A 57 6.174 3.806 -9.873 1.00 0.00 O ATOM 869 CB LYS A 57 4.069 5.708 -9.569 1.00 0.00 C ATOM 870 CG LYS A 57 2.894 6.572 -10.018 1.00 0.00 C ATOM 871 CD LYS A 57 3.032 8.011 -9.566 1.00 0.00 C ATOM 872 CE LYS A 57 2.723 8.169 -8.077 1.00 0.00 C ATOM 873 NZ LYS A 57 1.297 7.864 -7.765 1.00 0.00 N ATOM 0 H LYS A 57 1.978 3.313 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 57 3.343 4.067 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.308 5.935 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.949 5.959 -10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.818 6.541 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.968 6.156 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.045 8.360 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.358 8.641 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.369 7.507 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.952 9.188 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.061 8.236 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.683 8.309 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.151 6.834 -7.777 1.00 0.00 H new ATOM 887 N ILE A 58 4.788 2.068 -9.530 1.00 0.00 N ATOM 888 CA ILE A 58 5.747 1.033 -9.562 1.00 0.00 C ATOM 889 C ILE A 58 5.526 0.235 -10.853 1.00 0.00 C ATOM 890 O ILE A 58 4.371 0.060 -11.262 1.00 0.00 O ATOM 891 CB ILE A 58 5.489 0.118 -8.368 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.563 0.950 -7.111 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.495 -1.029 -8.322 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.194 0.199 -5.912 1.00 0.00 C ATOM 0 H ILE A 58 3.845 1.720 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 58 6.762 1.428 -9.524 1.00 0.00 H new ATOM 0 HB ILE A 58 4.500 -0.332 -8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.576 1.336 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.903 1.812 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.285 -1.663 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.416 -1.619 -9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.504 -0.625 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.266 0.848 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.171 -0.164 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.870 -0.648 -5.791 1.00 0.00 H new ATOM 906 N PRO A 59 6.587 -0.214 -11.546 1.00 0.00 N ATOM 907 CA PRO A 59 6.443 -1.039 -12.744 1.00 0.00 C ATOM 908 C PRO A 59 5.738 -2.328 -12.431 1.00 0.00 C ATOM 909 O PRO A 59 6.051 -3.019 -11.445 1.00 0.00 O ATOM 910 CB PRO A 59 7.884 -1.323 -13.168 1.00 0.00 C ATOM 911 CG PRO A 59 8.657 -0.231 -12.565 1.00 0.00 C ATOM 912 CD PRO A 59 7.995 0.053 -11.253 1.00 0.00 C ATOM 0 HA PRO A 59 5.854 -0.545 -13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.221 -2.295 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.986 -1.331 -14.253 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.699 -0.519 -12.424 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.654 0.651 -13.205 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.374 -0.591 -10.459 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.155 1.082 -10.932 1.00 0.00 H new ATOM 920 N VAL A 60 4.799 -2.657 -13.278 1.00 0.00 N ATOM 921 CA VAL A 60 4.025 -3.858 -13.176 1.00 0.00 C ATOM 922 C VAL A 60 4.862 -5.107 -13.314 1.00 0.00 C ATOM 923 O VAL A 60 4.392 -6.179 -13.083 1.00 0.00 O ATOM 924 CB VAL A 60 2.907 -3.890 -14.247 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.929 -2.774 -14.007 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.446 -3.816 -15.647 1.00 0.00 C ATOM 0 H VAL A 60 4.547 -2.078 -14.079 1.00 0.00 H new ATOM 0 HA VAL A 60 3.589 -3.847 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 60 2.399 -4.850 -14.152 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.147 -2.806 -14.766 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.481 -2.888 -13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.448 -1.817 -14.061 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.619 -3.842 -16.357 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.004 -2.888 -15.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.107 -4.664 -15.828 1.00 0.00 H new ATOM 936 N ASP A 61 6.117 -4.950 -13.698 1.00 0.00 N ATOM 937 CA ASP A 61 7.037 -6.082 -13.834 1.00 0.00 C ATOM 938 C ASP A 61 7.394 -6.636 -12.465 1.00 0.00 C ATOM 939 O ASP A 61 7.892 -7.760 -12.329 1.00 0.00 O ATOM 940 CB ASP A 61 8.306 -5.696 -14.599 1.00 0.00 C ATOM 941 CG ASP A 61 8.063 -5.403 -16.058 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.599 -4.296 -16.395 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.346 -6.280 -16.914 1.00 0.00 O ATOM 0 H ASP A 61 6.531 -4.046 -13.924 1.00 0.00 H new ATOM 0 HA ASP A 61 6.528 -6.853 -14.412 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.751 -4.819 -14.130 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.032 -6.505 -14.515 1.00 0.00 H new ATOM 948 N LYS A 62 7.094 -5.859 -11.441 1.00 0.00 N ATOM 949 CA LYS A 62 7.358 -6.228 -10.103 1.00 0.00 C ATOM 950 C LYS A 62 6.200 -7.001 -9.490 1.00 0.00 C ATOM 951 O LYS A 62 6.311 -7.493 -8.390 1.00 0.00 O ATOM 952 CB LYS A 62 7.682 -5.019 -9.294 1.00 0.00 C ATOM 953 CG LYS A 62 8.938 -4.352 -9.771 1.00 0.00 C ATOM 954 CD LYS A 62 9.397 -3.376 -8.774 1.00 0.00 C ATOM 955 CE LYS A 62 10.637 -2.605 -9.231 1.00 0.00 C ATOM 956 NZ LYS A 62 11.799 -3.486 -9.508 1.00 0.00 N ATOM 0 H LYS A 62 6.654 -4.944 -11.539 1.00 0.00 H new ATOM 0 HA LYS A 62 8.221 -6.894 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.853 -4.313 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.795 -5.301 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.713 -5.099 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.756 -3.854 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.593 -2.671 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.619 -3.893 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.395 -2.039 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.912 -1.882 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.639 -2.903 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.978 -4.094 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.595 -4.079 -10.337 1.00 0.00 H new ATOM 970 N VAL A 63 5.078 -7.096 -10.238 1.00 0.00 N ATOM 971 CA VAL A 63 3.843 -7.876 -9.892 1.00 0.00 C ATOM 972 C VAL A 63 4.229 -9.305 -9.481 1.00 0.00 C ATOM 973 O VAL A 63 3.574 -9.946 -8.667 1.00 0.00 O ATOM 974 CB VAL A 63 2.990 -7.875 -11.208 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.343 -8.916 -12.255 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.545 -7.975 -10.868 1.00 0.00 C ATOM 0 H VAL A 63 4.993 -6.618 -11.135 1.00 0.00 H new ATOM 0 HA VAL A 63 3.290 -7.448 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 63 3.235 -6.926 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.680 -8.808 -13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.376 -8.776 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.227 -9.913 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.955 -7.974 -11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.363 -8.900 -10.320 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.257 -7.125 -10.250 1.00 0.00 H new ATOM 986 N SER A 64 5.332 -9.741 -10.062 1.00 0.00 N ATOM 987 CA SER A 64 6.008 -10.976 -9.781 1.00 0.00 C ATOM 988 C SER A 64 6.323 -11.101 -8.288 1.00 0.00 C ATOM 989 O SER A 64 5.965 -12.072 -7.620 1.00 0.00 O ATOM 990 CB SER A 64 7.360 -10.912 -10.527 1.00 0.00 C ATOM 991 OG SER A 64 8.019 -9.651 -10.305 1.00 0.00 O ATOM 0 H SER A 64 5.802 -9.201 -10.788 1.00 0.00 H new ATOM 0 HA SER A 64 5.383 -11.816 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.003 -11.725 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.196 -11.056 -11.595 1.00 0.00 H new ATOM 0 HG SER A 64 7.901 -9.077 -11.091 1.00 0.00 H new ATOM 997 N SER A 65 6.932 -10.064 -7.782 1.00 0.00 N ATOM 998 CA SER A 65 7.468 -10.020 -6.487 1.00 0.00 C ATOM 999 C SER A 65 6.532 -9.344 -5.513 1.00 0.00 C ATOM 1000 O SER A 65 6.888 -9.140 -4.380 1.00 0.00 O ATOM 1001 CB SER A 65 8.786 -9.267 -6.543 1.00 0.00 C ATOM 1002 OG SER A 65 9.571 -9.738 -7.647 1.00 0.00 O ATOM 0 H SER A 65 7.064 -9.196 -8.301 1.00 0.00 H new ATOM 0 HA SER A 65 7.618 -11.040 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.600 -8.198 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.334 -9.405 -5.611 1.00 0.00 H new ATOM 0 HG SER A 65 9.102 -9.548 -8.486 1.00 0.00 H new ATOM 1008 N TYR A 66 5.345 -9.030 -5.938 1.00 0.00 N ATOM 1009 CA TYR A 66 4.412 -8.360 -5.082 1.00 0.00 C ATOM 1010 C TYR A 66 3.319 -9.270 -4.657 1.00 0.00 C ATOM 1011 O TYR A 66 2.888 -10.149 -5.413 1.00 0.00 O ATOM 1012 CB TYR A 66 3.873 -7.080 -5.691 1.00 0.00 C ATOM 1013 CG TYR A 66 4.727 -5.882 -5.396 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.778 -5.524 -6.201 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.469 -5.113 -4.290 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.549 -4.425 -5.911 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.221 -4.020 -3.984 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.259 -3.671 -4.789 1.00 0.00 C ATOM 1019 OH TYR A 66 7.012 -2.567 -4.472 1.00 0.00 O ATOM 0 H TYR A 66 4.998 -9.228 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 66 4.963 -8.064 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.793 -7.204 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.866 -6.902 -5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.003 -6.115 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.646 -5.382 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.374 -4.153 -6.553 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.994 -3.433 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 66 7.365 -2.165 -5.293 1.00 0.00 H new ATOM 1029 N ALA A 67 2.902 -9.093 -3.439 1.00 0.00 N ATOM 1030 CA ALA A 67 1.898 -9.895 -2.863 1.00 0.00 C ATOM 1031 C ALA A 67 1.129 -9.112 -1.843 1.00 0.00 C ATOM 1032 O ALA A 67 1.688 -8.240 -1.156 1.00 0.00 O ATOM 1033 CB ALA A 67 2.509 -11.103 -2.208 1.00 0.00 C ATOM 0 H ALA A 67 3.265 -8.370 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 67 1.221 -10.218 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.722 -11.715 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.048 -11.688 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.201 -10.783 -1.428 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.137 -9.402 -1.772 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.015 -8.843 -0.796 1.00 0.00 C ATOM 1041 C LEU A 68 -0.828 -9.622 0.486 1.00 0.00 C ATOM 1042 O LEU A 68 -0.852 -10.827 0.465 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.449 -8.999 -1.296 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.767 -8.309 -2.627 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.158 -8.676 -3.088 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.631 -6.795 -2.500 1.00 0.00 C ATOM 0 H LEU A 68 -0.596 -10.052 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.805 -7.787 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.665 -10.062 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.124 -8.608 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.049 -8.653 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.371 -8.179 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.224 -9.756 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.885 -8.359 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.862 -6.327 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.324 -6.430 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.611 -6.544 -2.210 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.593 -8.964 1.558 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.338 -9.625 2.802 1.00 0.00 C ATOM 1060 C GLN A 69 -1.408 -9.254 3.821 1.00 0.00 C ATOM 1061 O GLN A 69 -1.957 -8.143 3.779 1.00 0.00 O ATOM 1062 CB GLN A 69 1.030 -9.186 3.330 1.00 0.00 C ATOM 1063 CG GLN A 69 1.505 -9.962 4.536 1.00 0.00 C ATOM 1064 CD GLN A 69 2.664 -9.312 5.247 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.825 -9.549 4.935 1.00 0.00 O ATOM 1066 NE2 GLN A 69 2.362 -8.510 6.226 1.00 0.00 N ATOM 0 H GLN A 69 -0.570 -7.946 1.608 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.352 -10.703 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.765 -9.290 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.985 -8.128 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.677 -10.075 5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.797 -10.964 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.384 -8.335 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.103 -8.056 6.761 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.673 -10.179 4.715 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.598 -10.003 5.825 1.00 0.00 C ATOM 1077 C ASN A 70 -1.860 -9.261 6.956 1.00 0.00 C ATOM 1078 O ASN A 70 -0.722 -9.610 7.278 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.073 -11.404 6.299 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.084 -11.413 7.466 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -4.028 -10.601 8.377 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.000 -12.346 7.437 1.00 0.00 N ATOM 0 H ASN A 70 -1.242 -11.103 4.695 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.469 -9.420 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.522 -11.921 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.198 -11.982 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.689 -12.408 8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.025 -13.012 6.665 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.469 -8.220 7.542 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.851 -7.428 8.627 1.00 0.00 C ATOM 1091 C PRO A 71 -1.658 -8.183 9.962 1.00 0.00 C ATOM 1092 O PRO A 71 -0.850 -7.763 10.798 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.833 -6.271 8.829 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.132 -6.762 8.298 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.795 -7.685 7.166 1.00 0.00 C ATOM 0 HA PRO A 71 -0.839 -7.138 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.915 -6.004 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.503 -5.378 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.697 -7.283 9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.751 -5.933 7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.534 -8.480 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.759 -7.156 6.214 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.373 -9.276 10.174 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.259 -9.965 11.438 1.00 0.00 C ATOM 1105 C PHE A 72 -1.455 -11.237 11.338 1.00 0.00 C ATOM 1106 O PHE A 72 -0.658 -11.546 12.211 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.621 -10.263 12.058 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.359 -9.052 12.568 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -5.175 -8.309 11.727 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -4.244 -8.665 13.891 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.857 -7.203 12.197 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -4.925 -7.562 14.368 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.732 -6.830 13.519 1.00 0.00 C ATOM 0 H PHE A 72 -3.020 -9.692 9.504 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.723 -9.278 12.093 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.242 -10.764 11.315 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.484 -10.962 12.883 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.278 -8.599 10.692 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.614 -9.233 14.560 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.487 -6.632 11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.827 -7.272 15.404 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.264 -5.967 13.890 1.00 0.00 H new ATOM 1123 N THR A 73 -1.649 -11.961 10.287 1.00 0.00 N ATOM 1124 CA THR A 73 -1.005 -13.250 10.142 1.00 0.00 C ATOM 1125 C THR A 73 0.267 -13.139 9.330 1.00 0.00 C ATOM 1126 O THR A 73 1.145 -14.011 9.386 1.00 0.00 O ATOM 1127 CB THR A 73 -1.955 -14.220 9.454 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.205 -13.770 8.112 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.268 -14.259 10.196 1.00 0.00 C ATOM 0 H THR A 73 -2.248 -11.693 9.506 1.00 0.00 H new ATOM 0 HA THR A 73 -0.750 -13.615 11.137 1.00 0.00 H new ATOM 0 HB THR A 73 -1.504 -15.212 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.815 -14.394 7.666 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.945 -14.954 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.097 -14.587 11.221 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.712 -13.263 10.203 1.00 0.00 H new ATOM 1137 N LEU A 74 0.357 -12.045 8.576 1.00 0.00 N ATOM 1138 CA LEU A 74 1.462 -11.762 7.672 1.00 0.00 C ATOM 1139 C LEU A 74 1.524 -12.775 6.536 1.00 0.00 C ATOM 1140 O LEU A 74 2.557 -12.935 5.876 1.00 0.00 O ATOM 1141 CB LEU A 74 2.799 -11.666 8.402 1.00 0.00 C ATOM 1142 CG LEU A 74 2.879 -10.715 9.571 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.303 -10.366 9.830 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.018 -9.475 9.401 1.00 0.00 C ATOM 0 H LEU A 74 -0.356 -11.315 8.579 1.00 0.00 H new ATOM 0 HA LEU A 74 1.268 -10.782 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.062 -12.662 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.560 -11.375 7.677 1.00 0.00 H new ATOM 0 HG LEU A 74 2.468 -11.228 10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.361 -9.679 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.864 -11.272 10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.728 -9.891 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.124 -8.836 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.337 -8.929 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.974 -9.769 9.290 1.00 0.00 H new ATOM 1156 N ALA A 75 0.395 -13.408 6.266 1.00 0.00 N ATOM 1157 CA ALA A 75 0.306 -14.360 5.199 1.00 0.00 C ATOM 1158 C ALA A 75 0.094 -13.647 3.904 1.00 0.00 C ATOM 1159 O ALA A 75 -0.648 -12.655 3.845 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.833 -15.316 5.432 1.00 0.00 C ATOM 0 H ALA A 75 -0.474 -13.270 6.783 1.00 0.00 H new ATOM 0 HA ALA A 75 1.238 -14.924 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.883 -16.030 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.673 -15.851 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.769 -14.760 5.487 1.00 0.00 H new ATOM 1166 N TYR A 76 0.722 -14.126 2.887 1.00 0.00 N ATOM 1167 CA TYR A 76 0.631 -13.537 1.593 1.00 0.00 C ATOM 1168 C TYR A 76 -0.405 -14.227 0.775 1.00 0.00 C ATOM 1169 O TYR A 76 -0.608 -15.438 0.901 1.00 0.00 O ATOM 1170 CB TYR A 76 1.966 -13.609 0.871 1.00 0.00 C ATOM 1171 CG TYR A 76 3.018 -12.744 1.474 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.153 -11.448 1.059 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.867 -13.216 2.453 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.099 -10.625 1.577 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.826 -12.396 3.005 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.944 -11.101 2.553 1.00 0.00 C ATOM 1177 OH TYR A 76 5.845 -10.256 3.142 1.00 0.00 O ATOM 0 H TYR A 76 1.322 -14.950 2.929 1.00 0.00 H new ATOM 0 HA TYR A 76 0.352 -12.492 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.314 -14.642 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.822 -13.320 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.488 -11.069 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.779 -14.238 2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.188 -9.607 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.478 -12.765 3.783 1.00 0.00 H new ATOM 0 HH TYR A 76 5.467 -9.903 3.975 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.072 -13.473 -0.021 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.987 -13.989 -0.962 1.00 0.00 C ATOM 1189 C VAL A 77 -1.163 -14.494 -2.128 1.00 0.00 C ATOM 1190 O VAL A 77 -0.633 -13.711 -2.924 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.988 -12.900 -1.436 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.968 -13.455 -2.454 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.736 -12.293 -0.246 1.00 0.00 C ATOM 0 H VAL A 77 -0.992 -12.456 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.583 -14.786 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.412 -12.112 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.654 -12.668 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.421 -13.824 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.533 -14.273 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.431 -11.533 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.289 -13.075 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.021 -11.838 0.439 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.005 -15.788 -2.181 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.206 -16.431 -3.191 1.00 0.00 C ATOM 1205 C GLU A 78 -1.122 -17.068 -4.199 1.00 0.00 C ATOM 1206 O GLU A 78 -0.727 -17.858 -5.051 1.00 0.00 O ATOM 1207 CB GLU A 78 0.696 -17.433 -2.541 1.00 0.00 C ATOM 1208 CG GLU A 78 1.700 -16.786 -1.595 1.00 0.00 C ATOM 1209 CD GLU A 78 2.639 -17.759 -0.949 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.313 -18.274 0.140 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.755 -17.989 -1.492 1.00 0.00 O ATOM 0 H GLU A 78 -1.432 -16.434 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 78 0.422 -15.708 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.094 -18.155 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.232 -17.988 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.281 -16.047 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.158 -16.248 -0.817 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.351 -16.662 -4.089 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.426 -17.057 -4.903 1.00 0.00 C ATOM 1220 C ASP A 79 -3.333 -16.372 -6.223 1.00 0.00 C ATOM 1221 O ASP A 79 -2.683 -15.322 -6.368 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.758 -16.605 -4.268 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.027 -17.194 -2.893 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.417 -16.731 -1.902 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.847 -18.141 -2.782 1.00 0.00 O ATOM 0 H ASP A 79 -2.633 -15.997 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.389 -18.141 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.760 -15.518 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.576 -16.879 -4.934 1.00 0.00 H new ATOM 1230 N SER A 80 -3.941 -16.965 -7.162 1.00 0.00 N ATOM 1231 CA SER A 80 -4.067 -16.448 -8.456 1.00 0.00 C ATOM 1232 C SER A 80 -5.224 -15.477 -8.511 1.00 0.00 C ATOM 1233 O SER A 80 -5.153 -14.434 -9.159 1.00 0.00 O ATOM 1234 CB SER A 80 -4.293 -17.580 -9.383 1.00 0.00 C ATOM 1235 OG SER A 80 -3.203 -18.499 -9.337 1.00 0.00 O ATOM 0 H SER A 80 -4.389 -17.874 -7.044 1.00 0.00 H new ATOM 0 HA SER A 80 -3.163 -15.911 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.218 -18.093 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.415 -17.205 -10.399 1.00 0.00 H new ATOM 0 HG SER A 80 -3.373 -19.240 -9.955 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.269 -15.814 -7.813 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.443 -15.026 -7.711 1.00 0.00 C ATOM 1243 C PHE A 81 -7.804 -14.887 -6.249 1.00 0.00 C ATOM 1244 O PHE A 81 -7.547 -15.785 -5.460 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.576 -15.696 -8.444 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.451 -15.718 -9.936 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.674 -16.671 -10.556 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.108 -14.785 -10.715 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.549 -16.702 -11.925 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.989 -14.808 -12.091 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.208 -15.768 -12.696 1.00 0.00 C ATOM 0 H PHE A 81 -6.319 -16.683 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.267 -14.045 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.660 -16.723 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.505 -15.191 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.155 -17.405 -9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.720 -14.031 -10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.936 -17.456 -12.395 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.507 -14.075 -12.691 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.112 -15.789 -13.772 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.379 -13.774 -5.897 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.823 -13.535 -4.537 1.00 0.00 C ATOM 1263 C LEU A 82 -10.122 -14.226 -4.290 1.00 0.00 C ATOM 1264 O LEU A 82 -10.886 -14.499 -5.220 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.016 -12.049 -4.280 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.755 -11.286 -3.913 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.044 -9.809 -3.795 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.191 -11.823 -2.600 1.00 0.00 C ATOM 0 H LEU A 82 -8.558 -13.001 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.055 -13.923 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.449 -11.596 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.742 -11.927 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.016 -11.427 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.129 -9.279 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.419 -9.434 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.794 -9.646 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.286 -11.273 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.930 -11.699 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.953 -12.881 -2.712 1.00 0.00 H new ATOM 1280 N THR A 83 -10.364 -14.521 -3.060 1.00 0.00 N ATOM 1281 CA THR A 83 -11.586 -15.076 -2.664 1.00 0.00 C ATOM 1282 C THR A 83 -12.376 -13.972 -1.981 1.00 0.00 C ATOM 1283 O THR A 83 -11.768 -13.035 -1.440 1.00 0.00 O ATOM 1284 CB THR A 83 -11.361 -16.253 -1.682 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.586 -15.801 -0.563 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.633 -17.402 -2.363 1.00 0.00 C ATOM 0 H THR A 83 -9.701 -14.377 -2.299 1.00 0.00 H new ATOM 0 HA THR A 83 -12.124 -15.468 -3.527 1.00 0.00 H new ATOM 0 HB THR A 83 -12.335 -16.609 -1.346 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.445 -16.545 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.488 -18.214 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.225 -17.759 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.663 -17.057 -2.721 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.715 -14.017 -2.018 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.551 -13.054 -1.287 1.00 0.00 C ATOM 1296 C PRO A 84 -14.220 -13.109 0.196 1.00 0.00 C ATOM 1297 O PRO A 84 -14.288 -12.117 0.888 1.00 0.00 O ATOM 1298 CB PRO A 84 -15.975 -13.549 -1.548 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.871 -14.295 -2.830 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.528 -14.961 -2.801 1.00 0.00 C ATOM 0 HA PRO A 84 -14.404 -12.020 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.328 -14.191 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.677 -12.719 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.671 -15.030 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.957 -13.622 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.573 -15.943 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.126 -15.106 -3.804 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.838 -14.294 0.651 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.385 -14.523 2.005 1.00 0.00 C ATOM 1310 C GLU A 85 -12.184 -13.629 2.327 1.00 0.00 C ATOM 1311 O GLU A 85 -12.162 -12.950 3.344 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.001 -15.980 2.155 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.125 -16.934 1.800 1.00 0.00 C ATOM 1314 CD GLU A 85 -15.291 -16.869 2.752 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -15.186 -17.402 3.857 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -16.356 -16.316 2.389 1.00 0.00 O ATOM 0 H GLU A 85 -13.836 -15.135 0.074 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.188 -14.279 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.141 -16.190 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.689 -16.163 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.476 -16.711 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.736 -17.952 1.784 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.199 -13.622 1.426 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.037 -12.780 1.581 1.00 0.00 C ATOM 1325 C ARG A 86 -10.403 -11.319 1.566 1.00 0.00 C ATOM 1326 O ARG A 86 -9.821 -10.539 2.294 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.958 -13.082 0.565 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.123 -14.322 0.852 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.449 -14.244 2.226 1.00 0.00 C ATOM 1330 NE ARG A 86 -6.617 -13.039 2.386 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.606 -12.226 3.480 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.314 -12.531 4.567 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.836 -11.152 3.493 1.00 0.00 N ATOM 0 H ARG A 86 -11.194 -14.196 0.583 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.621 -13.012 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.425 -13.197 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.291 -12.222 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.758 -15.207 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.363 -14.436 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.214 -14.257 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.830 -15.129 2.373 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.998 -12.792 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.874 -13.383 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.295 -11.912 5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.252 -10.933 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.826 -10.542 4.310 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.376 -10.966 0.753 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.869 -9.609 0.687 1.00 0.00 C ATOM 1349 C LEU A 87 -12.501 -9.217 2.009 1.00 0.00 C ATOM 1350 O LEU A 87 -12.207 -8.160 2.565 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.897 -9.478 -0.420 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.450 -9.838 -1.811 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.571 -9.573 -2.799 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.232 -9.046 -2.165 1.00 0.00 C ATOM 0 H LEU A 87 -11.847 -11.612 0.120 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.029 -8.947 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.751 -10.105 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.251 -8.447 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.201 -10.898 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.240 -9.836 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.440 -10.175 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.839 -8.517 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.908 -9.307 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.465 -7.982 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.434 -9.271 -1.458 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.359 -10.076 2.501 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.032 -9.880 3.723 1.00 0.00 C ATOM 1368 C VAL A 88 -13.122 -9.785 4.916 1.00 0.00 C ATOM 1369 O VAL A 88 -13.258 -8.861 5.741 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.180 -10.892 3.854 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.691 -10.856 5.238 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.310 -10.695 2.872 1.00 0.00 C ATOM 0 H VAL A 88 -13.603 -10.950 2.035 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.485 -8.889 3.708 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.763 -11.869 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.507 -11.571 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.889 -11.116 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.055 -9.854 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.074 -11.454 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.745 -9.706 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.928 -10.783 1.855 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.188 -10.686 4.999 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.150 -10.608 5.993 1.00 0.00 C ATOM 1384 C GLU A 89 -10.316 -9.350 5.853 1.00 0.00 C ATOM 1385 O GLU A 89 -9.800 -8.819 6.831 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.271 -11.820 5.975 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.701 -12.926 6.880 1.00 0.00 C ATOM 1388 CD GLU A 89 -12.067 -13.491 6.637 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -13.049 -12.868 7.058 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.169 -14.616 6.127 1.00 0.00 O ATOM 0 H GLU A 89 -12.121 -11.496 4.382 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.655 -10.567 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.226 -12.202 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.259 -11.520 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.976 -13.736 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.659 -12.563 7.907 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.149 -8.907 4.649 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.372 -7.695 4.388 1.00 0.00 C ATOM 1399 C ALA A 90 -10.122 -6.420 4.777 1.00 0.00 C ATOM 1400 O ALA A 90 -9.527 -5.540 5.383 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.849 -7.641 2.979 1.00 0.00 C ATOM 0 H ALA A 90 -10.533 -9.353 3.816 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.500 -7.748 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.280 -6.722 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.203 -8.500 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.685 -7.661 2.280 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.421 -6.315 4.444 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.219 -5.159 4.861 1.00 0.00 C ATOM 1409 C GLU A 91 -12.206 -4.892 6.351 1.00 0.00 C ATOM 1410 O GLU A 91 -12.412 -3.758 6.799 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.628 -5.269 4.365 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.814 -4.616 3.026 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.719 -3.110 3.139 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.609 -2.557 3.245 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.786 -2.450 3.198 1.00 0.00 O ATOM 0 H GLU A 91 -11.930 -7.008 3.895 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.733 -4.299 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.905 -6.321 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.302 -4.809 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.057 -4.981 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.784 -4.893 2.614 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.996 -5.941 7.102 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.824 -5.894 8.546 1.00 0.00 C ATOM 1424 C LYS A 92 -10.701 -4.936 8.962 1.00 0.00 C ATOM 1425 O LYS A 92 -10.735 -4.339 10.038 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.506 -7.273 8.962 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.717 -8.162 8.832 1.00 0.00 C ATOM 1428 CD LYS A 92 -12.410 -9.518 9.289 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.627 -10.423 9.219 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.286 -11.832 9.482 1.00 0.00 N ATOM 0 H LYS A 92 -11.937 -6.886 6.722 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.729 -5.520 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.694 -7.665 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.156 -7.275 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.540 -7.753 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.046 -8.188 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.610 -9.936 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -12.042 -9.482 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.369 -10.089 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.084 -10.339 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.100 -12.310 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.046 -12.304 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.471 -11.877 10.126 1.00 0.00 H new ATOM 1444 N SER A 93 -9.700 -4.817 8.113 1.00 0.00 N ATOM 1445 CA SER A 93 -8.626 -3.897 8.326 1.00 0.00 C ATOM 1446 C SER A 93 -8.115 -3.262 7.008 1.00 0.00 C ATOM 1447 O SER A 93 -8.611 -2.221 6.578 1.00 0.00 O ATOM 1448 CB SER A 93 -7.512 -4.556 9.093 1.00 0.00 C ATOM 1449 OG SER A 93 -7.996 -5.175 10.280 1.00 0.00 O ATOM 0 H SER A 93 -9.618 -5.363 7.255 1.00 0.00 H new ATOM 0 HA SER A 93 -9.017 -3.075 8.925 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.026 -5.302 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.756 -3.814 9.350 1.00 0.00 H new ATOM 0 HG SER A 93 -7.446 -4.896 11.042 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.190 -3.941 6.358 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.532 -3.498 5.140 1.00 0.00 C ATOM 1457 C TYR A 94 -5.769 -4.690 4.535 1.00 0.00 C ATOM 1458 O TYR A 94 -5.751 -5.787 5.112 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.436 -2.421 5.413 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.372 -2.611 6.433 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.692 -2.769 7.745 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -3.044 -2.536 6.082 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.721 -2.870 8.711 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -2.062 -2.617 7.024 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.399 -2.789 8.339 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.412 -2.863 9.283 1.00 0.00 O ATOM 0 H TYR A 94 -6.862 -4.853 6.675 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.310 -3.092 4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.931 -2.241 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.959 -1.501 5.675 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.732 -2.816 8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.775 -2.411 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.991 -3.011 9.747 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.024 -2.546 6.734 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.537 -2.790 8.848 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.140 -4.445 3.408 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.164 -5.343 2.781 1.00 0.00 C ATOM 1478 C PHE A 95 -2.833 -4.623 2.808 1.00 0.00 C ATOM 1479 O PHE A 95 -2.812 -3.440 3.007 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.472 -5.598 1.289 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.342 -6.772 0.947 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.924 -8.058 1.242 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.543 -6.599 0.281 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.694 -9.150 0.889 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.314 -7.690 -0.084 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.888 -8.967 0.223 1.00 0.00 C ATOM 0 H PHE A 95 -5.291 -3.589 2.875 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.179 -6.292 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.944 -4.702 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.523 -5.720 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.985 -8.210 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.883 -5.602 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.361 -10.147 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.247 -7.542 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.488 -9.820 -0.058 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.742 -5.331 2.688 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.445 -4.700 2.439 1.00 0.00 C ATOM 1498 C ILE A 96 0.043 -5.273 1.126 1.00 0.00 C ATOM 1499 O ILE A 96 -0.154 -6.423 0.867 1.00 0.00 O ATOM 1500 CB ILE A 96 0.665 -4.958 3.545 1.00 0.00 C ATOM 1501 CG1 ILE A 96 0.272 -4.462 4.925 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.951 -4.259 3.169 1.00 0.00 C ATOM 1503 CD1 ILE A 96 -0.778 -5.248 5.600 1.00 0.00 C ATOM 0 H ILE A 96 -1.711 -6.348 2.757 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.595 -3.620 2.440 1.00 0.00 H new ATOM 0 HB ILE A 96 0.787 -6.040 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.160 -4.454 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.068 -3.430 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.703 -4.444 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.306 -4.641 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.772 -3.187 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.986 -4.813 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.686 -5.236 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.439 -6.276 5.725 1.00 0.00 H new ATOM 1515 N LEU A 97 0.646 -4.494 0.328 1.00 0.00 N ATOM 1516 CA LEU A 97 1.128 -4.911 -0.941 1.00 0.00 C ATOM 1517 C LEU A 97 2.636 -4.785 -0.855 1.00 0.00 C ATOM 1518 O LEU A 97 3.190 -3.689 -0.911 1.00 0.00 O ATOM 1519 CB LEU A 97 0.496 -3.979 -1.997 1.00 0.00 C ATOM 1520 CG LEU A 97 0.548 -4.345 -3.491 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.474 -3.432 -4.248 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.902 -5.806 -3.710 1.00 0.00 C ATOM 0 H LEU A 97 0.830 -3.513 0.536 1.00 0.00 H new ATOM 0 HA LEU A 97 0.871 -5.933 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.554 -3.857 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.968 -3.002 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.456 -4.201 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.487 -3.718 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.126 -2.403 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.480 -3.513 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.927 -6.018 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.880 -6.012 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.153 -6.437 -3.232 1.00 0.00 H new ATOM 1534 N ARG A 98 3.290 -5.886 -0.598 1.00 0.00 N ATOM 1535 CA ARG A 98 4.723 -5.853 -0.353 1.00 0.00 C ATOM 1536 C ARG A 98 5.429 -6.590 -1.402 1.00 0.00 C ATOM 1537 O ARG A 98 4.835 -7.415 -2.107 1.00 0.00 O ATOM 1538 CB ARG A 98 5.126 -6.589 0.933 1.00 0.00 C ATOM 1539 CG ARG A 98 4.284 -6.358 2.125 1.00 0.00 C ATOM 1540 CD ARG A 98 4.876 -7.025 3.345 1.00 0.00 C ATOM 1541 NE ARG A 98 6.056 -6.311 3.876 1.00 0.00 N ATOM 1542 CZ ARG A 98 7.155 -6.901 4.397 1.00 0.00 C ATOM 1543 NH1 ARG A 98 7.399 -8.195 4.182 1.00 0.00 N ATOM 1544 NH2 ARG A 98 8.039 -6.170 5.074 1.00 0.00 N ATOM 0 H ARG A 98 2.867 -6.813 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 98 4.976 -4.794 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.133 -7.659 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.149 -6.306 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.186 -5.287 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.281 -6.744 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.115 -7.088 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.159 -8.047 3.093 1.00 0.00 H new ATOM 0 HE ARG A 98 6.040 -5.292 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.753 -8.749 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.231 -8.630 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.885 -5.169 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.870 -6.611 5.469 1.00 0.00 H new ATOM 1558 N MET A 99 6.693 -6.311 -1.502 1.00 0.00 N ATOM 1559 CA MET A 99 7.542 -7.138 -2.230 1.00 0.00 C ATOM 1560 C MET A 99 7.808 -8.308 -1.335 1.00 0.00 C ATOM 1561 O MET A 99 8.029 -8.131 -0.130 1.00 0.00 O ATOM 1562 CB MET A 99 8.863 -6.476 -2.548 1.00 0.00 C ATOM 1563 CG MET A 99 8.740 -5.187 -3.296 1.00 0.00 C ATOM 1564 SD MET A 99 10.266 -4.673 -4.089 1.00 0.00 S ATOM 1565 CE MET A 99 10.423 -5.960 -5.336 1.00 0.00 C ATOM 0 H MET A 99 7.142 -5.501 -1.075 1.00 0.00 H new ATOM 0 HA MET A 99 7.081 -7.400 -3.182 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.398 -6.292 -1.616 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.470 -7.166 -3.134 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.962 -5.288 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.416 -4.406 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.002 -5.582 -6.178 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.930 -6.824 -4.906 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.432 -6.255 -5.681 1.00 0.00 H new ATOM 1575 N LYS A 100 7.727 -9.464 -1.870 1.00 0.00 N ATOM 1576 CA LYS A 100 7.974 -10.643 -1.130 1.00 0.00 C ATOM 1577 C LYS A 100 9.453 -10.707 -0.792 1.00 0.00 C ATOM 1578 O LYS A 100 10.292 -10.408 -1.655 1.00 0.00 O ATOM 1579 CB LYS A 100 7.553 -11.845 -1.934 1.00 0.00 C ATOM 1580 CG LYS A 100 6.082 -11.834 -2.299 1.00 0.00 C ATOM 1581 CD LYS A 100 5.629 -13.086 -3.047 1.00 0.00 C ATOM 1582 CE LYS A 100 5.386 -14.303 -2.131 1.00 0.00 C ATOM 1583 NZ LYS A 100 6.610 -14.862 -1.516 1.00 0.00 N ATOM 0 H LYS A 100 7.484 -9.623 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 100 7.398 -10.636 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.147 -11.889 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.773 -12.749 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.491 -11.731 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.875 -10.958 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.710 -12.862 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.382 -13.347 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.696 -14.013 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.896 -15.085 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.513 -15.893 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.431 -14.644 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.748 -14.442 -0.574 1.00 0.00 H new ATOM 1597 N PRO A 101 9.787 -11.023 0.461 1.00 0.00 N ATOM 1598 CA PRO A 101 11.173 -11.089 0.938 1.00 0.00 C ATOM 1599 C PRO A 101 12.065 -12.001 0.096 1.00 0.00 C ATOM 1600 O PRO A 101 11.826 -13.211 -0.028 1.00 0.00 O ATOM 1601 CB PRO A 101 11.031 -11.639 2.354 1.00 0.00 C ATOM 1602 CG PRO A 101 9.690 -11.185 2.771 1.00 0.00 C ATOM 1603 CD PRO A 101 8.835 -11.314 1.554 1.00 0.00 C ATOM 0 HA PRO A 101 11.658 -10.115 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.109 -12.726 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.808 -11.253 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.305 -11.794 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.716 -10.155 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.406 -12.312 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.003 -10.610 1.566 1.00 0.00 H new ATOM 1611 N HIS A 102 13.066 -11.414 -0.486 1.00 0.00 N ATOM 1612 CA HIS A 102 14.030 -12.113 -1.296 1.00 0.00 C ATOM 1613 C HIS A 102 15.415 -11.651 -0.928 1.00 0.00 C ATOM 1614 O HIS A 102 15.567 -10.608 -0.256 1.00 0.00 O ATOM 1615 CB HIS A 102 13.816 -11.895 -2.811 1.00 0.00 C ATOM 1616 CG HIS A 102 12.558 -12.464 -3.386 1.00 0.00 C ATOM 1617 ND1 HIS A 102 11.523 -11.687 -3.852 1.00 0.00 N ATOM 1618 CD2 HIS A 102 12.203 -13.734 -3.632 1.00 0.00 C ATOM 1619 CE1 HIS A 102 10.590 -12.457 -4.359 1.00 0.00 C ATOM 1620 NE2 HIS A 102 10.976 -13.701 -4.238 1.00 0.00 N ATOM 0 H HIS A 102 13.244 -10.412 -0.412 1.00 0.00 H new ATOM 0 HA HIS A 102 13.902 -13.177 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 102 13.830 -10.823 -3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 102 14.663 -12.328 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.778 -14.617 -3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 102 9.663 -12.122 -4.800 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.447 -14.517 -4.546 1.00 0.00 H new ATOM 1629 N ALA A 103 16.410 -12.418 -1.371 1.00 0.00 N ATOM 1630 CA ALA A 103 17.828 -12.152 -1.167 1.00 0.00 C ATOM 1631 C ALA A 103 18.243 -12.194 0.305 1.00 0.00 C ATOM 1632 O ALA A 103 17.405 -12.230 1.218 1.00 0.00 O ATOM 1633 CB ALA A 103 18.224 -10.839 -1.821 1.00 0.00 C ATOM 0 H ALA A 103 16.241 -13.273 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 103 18.374 -12.961 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 103 19.286 -10.657 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 103 18.025 -10.891 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.645 -10.025 -1.383 1.00 0.00 H new ATOM 1639 N ILE A 104 19.527 -12.221 0.538 1.00 0.00 N ATOM 1640 CA ILE A 104 20.035 -12.197 1.839 1.00 0.00 C ATOM 1641 C ILE A 104 20.109 -10.767 2.328 1.00 0.00 C ATOM 1642 O ILE A 104 20.833 -9.932 1.758 1.00 0.00 O ATOM 1643 CB ILE A 104 21.406 -12.846 1.888 1.00 0.00 C ATOM 1644 CG1 ILE A 104 21.329 -14.339 1.542 1.00 0.00 C ATOM 1645 CG2 ILE A 104 22.079 -12.609 3.219 1.00 0.00 C ATOM 1646 CD1 ILE A 104 22.667 -15.043 1.542 1.00 0.00 C ATOM 0 H ILE A 104 20.238 -12.261 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 104 19.369 -12.763 2.490 1.00 0.00 H new ATOM 0 HB ILE A 104 22.026 -12.372 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 104 20.671 -14.833 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 104 20.872 -14.450 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 104 23.059 -13.087 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 104 22.197 -11.538 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 104 21.467 -13.031 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.525 -16.094 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.323 -14.577 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 104 23.118 -14.966 2.531 1.00 0.00 H new ATOM 1658 N ALA A 105 19.337 -10.470 3.326 1.00 0.00 N ATOM 1659 CA ALA A 105 19.379 -9.178 3.938 1.00 0.00 C ATOM 1660 C ALA A 105 20.546 -9.163 4.896 1.00 0.00 C ATOM 1661 O ALA A 105 20.975 -10.225 5.368 1.00 0.00 O ATOM 1662 CB ALA A 105 18.080 -8.895 4.665 1.00 0.00 C ATOM 0 H ALA A 105 18.662 -11.113 3.739 1.00 0.00 H new ATOM 0 HA ALA A 105 19.504 -8.401 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 105 18.128 -7.908 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 105 17.252 -8.925 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 105 17.924 -9.648 5.437 1.00 0.00 H new ATOM 1668 N ASP A 106 21.060 -8.002 5.196 1.00 0.00 N ATOM 1669 CA ASP A 106 22.217 -7.884 6.069 1.00 0.00 C ATOM 1670 C ASP A 106 21.816 -7.980 7.533 1.00 0.00 C ATOM 1671 O ASP A 106 21.815 -7.010 8.280 1.00 0.00 O ATOM 1672 CB ASP A 106 23.035 -6.621 5.774 1.00 0.00 C ATOM 1673 CG ASP A 106 24.275 -6.500 6.632 1.00 0.00 C ATOM 1674 OD1 ASP A 106 25.216 -7.312 6.460 1.00 0.00 O ATOM 1675 OD2 ASP A 106 24.351 -5.564 7.461 1.00 0.00 O ATOM 0 H ASP A 106 20.700 -7.113 4.851 1.00 0.00 H new ATOM 0 HA ASP A 106 22.871 -8.730 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 106 23.326 -6.622 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 106 22.406 -5.744 5.930 1.00 0.00 H new ATOM 1680 N ARG A 107 21.360 -9.136 7.868 1.00 0.00 N ATOM 1681 CA ARG A 107 20.961 -9.516 9.192 1.00 0.00 C ATOM 1682 C ARG A 107 21.266 -10.969 9.371 1.00 0.00 C ATOM 1683 O ARG A 107 20.456 -11.814 8.968 1.00 0.00 O ATOM 1684 CB ARG A 107 19.471 -9.229 9.447 1.00 0.00 C ATOM 1685 CG ARG A 107 19.178 -7.784 9.813 1.00 0.00 C ATOM 1686 CD ARG A 107 17.692 -7.516 9.905 1.00 0.00 C ATOM 1687 NE ARG A 107 17.058 -7.461 8.583 1.00 0.00 N ATOM 1688 CZ ARG A 107 15.768 -7.706 8.327 1.00 0.00 C ATOM 1689 NH1 ARG A 107 14.976 -8.187 9.276 1.00 0.00 N ATOM 1690 NH2 ARG A 107 15.285 -7.464 7.114 1.00 0.00 N ATOM 1691 OXT ARG A 107 22.365 -11.290 9.856 1.00 0.00 O ATOM 0 H ARG A 107 21.246 -9.890 7.191 1.00 0.00 H new ATOM 0 HA ARG A 107 21.515 -8.923 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.903 -9.490 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.118 -9.876 10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 107 19.649 -7.548 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 107 19.621 -7.124 9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 107 17.220 -8.297 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.526 -6.573 10.426 1.00 0.00 H new ATOM 0 HE ARG A 107 17.652 -7.215 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.350 -8.372 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.993 -8.372 9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 107 15.896 -7.094 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.303 -7.648 6.910 1.00 0.00 H new TER 1705 ARG A 107