USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 582 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 20 CYS SG : rot -160:sc= 0.299 USER MOD Set 1.2: A 69 TYR OH : rot 126:sc= 0.512 USER MOD Set 2.1: A 57 THR OG1 : rot 46:sc= 0.583 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.266 X(o=0.85,f=1.2) USER MOD Set 3.1: A 40 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.6!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 GLN :FLIP amide:sc= 0.883 F(o=-0.68,f=1.9) USER MOD Set 4.2: A 35 THR OG1 : rot -172:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.00909 (180deg=-0.0932) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0341) USER MOD Single : A 10 MET CE :methyl -127:sc= -0.0115 (180deg=-1.42) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.17 F(o=-1.7,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 176:sc= -0.946 (180deg=-1.01) USER MOD Single : A 16 THR OG1 : rot -37:sc= 0.697 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 1.05 (180deg=-0.311!) USER MOD Single : A 31 MET CE :methyl -175:sc=-0.00299 (180deg=-0.0353) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 45 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= -0.199 K(o=-0.2,f=-4.8!) USER MOD Single : A 50 TYR OH : rot 165:sc= 0.0357 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.506 USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= 1.4 (180deg=-0.253) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= -0.345 (180deg=-1.4!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.507 F(o=-1.6,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.677 0.210 -26.907 1.00 5.46 N ATOM 2 CA MET A 1 9.874 0.395 -25.459 1.00 4.63 C ATOM 3 C MET A 1 8.922 1.503 -25.025 1.00 3.47 C ATOM 4 O MET A 1 8.911 2.534 -25.689 1.00 3.83 O ATOM 5 CB MET A 1 11.318 0.809 -25.141 1.00 6.15 C ATOM 6 CG MET A 1 12.388 -0.211 -25.555 1.00 7.51 C ATOM 7 SD MET A 1 14.078 0.369 -25.260 1.00 9.54 S ATOM 8 CE MET A 1 15.021 -1.013 -25.940 1.00 10.89 C ATOM 0 H1 MET A 1 10.192 -0.637 -27.222 1.00 5.46 H new ATOM 0 H2 MET A 1 8.663 0.093 -27.107 1.00 5.46 H new ATOM 0 H3 MET A 1 10.036 1.043 -27.415 1.00 5.46 H new ATOM 0 HA MET A 1 9.679 -0.539 -24.932 1.00 4.63 H new ATOM 0 HB2 MET A 1 11.527 1.756 -25.639 1.00 6.15 H new ATOM 0 HB3 MET A 1 11.402 0.987 -24.069 1.00 6.15 H new ATOM 0 HG2 MET A 1 12.228 -1.139 -25.006 1.00 7.51 H new ATOM 0 HG3 MET A 1 12.270 -0.443 -26.614 1.00 7.51 H new ATOM 0 HE1 MET A 1 16.087 -0.812 -25.836 1.00 10.89 H new ATOM 0 HE2 MET A 1 14.769 -1.926 -25.400 1.00 10.89 H new ATOM 0 HE3 MET A 1 14.777 -1.136 -26.995 1.00 10.89 H new ATOM 20 N LEU A 2 8.118 1.279 -23.986 1.00 3.02 N ATOM 21 CA LEU A 2 7.265 2.270 -23.344 1.00 2.64 C ATOM 22 C LEU A 2 7.176 1.849 -21.875 1.00 2.27 C ATOM 23 O LEU A 2 7.641 0.763 -21.527 1.00 2.85 O ATOM 24 CB LEU A 2 5.861 2.331 -23.980 1.00 3.18 C ATOM 25 CG LEU A 2 5.817 3.037 -25.349 1.00 4.37 C ATOM 26 CD1 LEU A 2 5.784 2.028 -26.505 1.00 4.88 C ATOM 27 CD2 LEU A 2 4.576 3.932 -25.452 1.00 5.48 C ATOM 0 H LEU A 2 8.043 0.359 -23.552 1.00 3.02 H new ATOM 0 HA LEU A 2 7.683 3.270 -23.460 1.00 2.64 H new ATOM 0 HB2 LEU A 2 5.482 1.315 -24.095 1.00 3.18 H new ATOM 0 HB3 LEU A 2 5.187 2.847 -23.296 1.00 3.18 H new ATOM 0 HG LEU A 2 6.723 3.638 -25.426 1.00 4.37 H new ATOM 0 HD11 LEU A 2 5.753 2.563 -27.454 1.00 4.88 H new ATOM 0 HD12 LEU A 2 6.677 1.404 -26.469 1.00 4.88 H new ATOM 0 HD13 LEU A 2 4.898 1.399 -26.414 1.00 4.88 H new ATOM 0 HD21 LEU A 2 4.561 4.423 -26.425 1.00 5.48 H new ATOM 0 HD22 LEU A 2 3.678 3.324 -25.338 1.00 5.48 H new ATOM 0 HD23 LEU A 2 4.605 4.686 -24.666 1.00 5.48 H new ATOM 39 N SER A 3 6.595 2.695 -21.029 1.00 1.89 N ATOM 40 CA SER A 3 6.277 2.395 -19.643 1.00 1.49 C ATOM 41 C SER A 3 5.061 3.247 -19.294 1.00 1.17 C ATOM 42 O SER A 3 4.843 4.279 -19.931 1.00 1.38 O ATOM 43 CB SER A 3 7.480 2.691 -18.736 1.00 1.72 C ATOM 44 OG SER A 3 8.068 3.933 -19.074 1.00 3.07 O ATOM 0 H SER A 3 6.325 3.640 -21.302 1.00 1.89 H new ATOM 0 HA SER A 3 6.051 1.339 -19.495 1.00 1.49 H new ATOM 0 HB2 SER A 3 7.161 2.706 -17.694 1.00 1.72 H new ATOM 0 HB3 SER A 3 8.219 1.895 -18.832 1.00 1.72 H new ATOM 0 HG SER A 3 8.832 4.105 -18.484 1.00 3.07 H new ATOM 50 N GLU A 4 4.254 2.794 -18.337 1.00 0.89 N ATOM 51 CA GLU A 4 3.007 3.424 -17.956 1.00 0.52 C ATOM 52 C GLU A 4 2.632 2.865 -16.589 1.00 0.43 C ATOM 53 O GLU A 4 2.844 1.681 -16.330 1.00 0.64 O ATOM 54 CB GLU A 4 1.934 3.181 -19.032 1.00 0.61 C ATOM 55 CG GLU A 4 1.683 1.696 -19.336 1.00 1.73 C ATOM 56 CD GLU A 4 0.948 1.532 -20.658 1.00 2.32 C ATOM 57 OE1 GLU A 4 -0.284 1.737 -20.651 1.00 2.46 O ATOM 58 OE2 GLU A 4 1.639 1.224 -21.655 1.00 3.64 O ATOM 0 H GLU A 4 4.462 1.955 -17.795 1.00 0.89 H new ATOM 0 HA GLU A 4 3.100 4.508 -17.882 1.00 0.52 H new ATOM 0 HB2 GLU A 4 0.999 3.639 -18.709 1.00 0.61 H new ATOM 0 HB3 GLU A 4 2.234 3.684 -19.951 1.00 0.61 H new ATOM 0 HG2 GLU A 4 2.633 1.162 -19.374 1.00 1.73 H new ATOM 0 HG3 GLU A 4 1.098 1.249 -18.532 1.00 1.73 H new ATOM 65 N GLN A 5 2.142 3.730 -15.700 1.00 0.38 N ATOM 66 CA GLN A 5 1.889 3.393 -14.310 1.00 0.32 C ATOM 67 C GLN A 5 0.395 3.264 -14.040 1.00 0.31 C ATOM 68 O GLN A 5 -0.426 3.590 -14.897 1.00 0.41 O ATOM 69 CB GLN A 5 2.556 4.424 -13.395 1.00 0.32 C ATOM 70 CG GLN A 5 2.096 5.878 -13.589 1.00 0.28 C ATOM 71 CD GLN A 5 2.845 6.852 -12.679 1.00 0.38 C ATOM 72 OE1 GLN A 5 3.480 6.351 -11.623 1.00 0.66 O flip ATOM 73 NE2 GLN A 5 2.847 8.054 -12.920 1.00 0.42 N flip ATOM 0 H GLN A 5 1.909 4.695 -15.934 1.00 0.38 H new ATOM 0 HA GLN A 5 2.329 2.419 -14.094 1.00 0.32 H new ATOM 0 HB2 GLN A 5 2.371 4.138 -12.360 1.00 0.32 H new ATOM 0 HB3 GLN A 5 3.634 4.379 -13.551 1.00 0.32 H new ATOM 0 HG2 GLN A 5 2.246 6.168 -14.629 1.00 0.28 H new ATOM 0 HG3 GLN A 5 1.027 5.948 -13.390 1.00 0.28 H new ATOM 0 HE21 GLN A 5 2.352 8.411 -13.737 1.00 0.42 H new ATOM 0 HE22 GLN A 5 3.344 8.697 -12.304 1.00 0.42 H new ATOM 82 N LYS A 6 0.036 2.810 -12.836 1.00 0.26 N ATOM 83 CA LYS A 6 -1.353 2.753 -12.423 1.00 0.28 C ATOM 84 C LYS A 6 -1.480 2.988 -10.927 1.00 0.23 C ATOM 85 O LYS A 6 -0.520 2.826 -10.172 1.00 0.25 O ATOM 86 CB LYS A 6 -1.985 1.401 -12.802 1.00 0.39 C ATOM 87 CG LYS A 6 -2.891 1.524 -14.032 1.00 0.56 C ATOM 88 CD LYS A 6 -3.791 0.282 -14.126 1.00 1.37 C ATOM 89 CE LYS A 6 -4.680 0.287 -15.378 1.00 1.98 C ATOM 90 NZ LYS A 6 -5.570 1.465 -15.437 1.00 2.42 N ATOM 0 H LYS A 6 0.697 2.477 -12.134 1.00 0.26 H new ATOM 0 HA LYS A 6 -1.889 3.544 -12.947 1.00 0.28 H new ATOM 0 HB2 LYS A 6 -1.197 0.674 -13.001 1.00 0.39 H new ATOM 0 HB3 LYS A 6 -2.564 1.021 -11.960 1.00 0.39 H new ATOM 0 HG2 LYS A 6 -3.501 2.425 -13.960 1.00 0.56 H new ATOM 0 HG3 LYS A 6 -2.287 1.619 -14.935 1.00 0.56 H new ATOM 0 HD2 LYS A 6 -3.169 -0.613 -14.131 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -4.421 0.227 -13.238 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -4.050 0.267 -16.267 1.00 1.98 H new ATOM 0 HE3 LYS A 6 -5.283 -0.621 -15.395 1.00 1.98 H new ATOM 0 HZ1 LYS A 6 -6.207 1.378 -16.254 1.00 2.42 H new ATOM 0 HZ2 LYS A 6 -6.132 1.519 -14.564 1.00 2.42 H new ATOM 0 HZ3 LYS A 6 -4.998 2.328 -15.534 1.00 2.42 H new ATOM 104 N GLU A 7 -2.713 3.313 -10.541 1.00 0.26 N ATOM 105 CA GLU A 7 -3.211 3.261 -9.188 1.00 0.29 C ATOM 106 C GLU A 7 -3.638 1.818 -8.914 1.00 0.34 C ATOM 107 O GLU A 7 -4.161 1.143 -9.801 1.00 0.63 O ATOM 108 CB GLU A 7 -4.404 4.225 -9.045 1.00 0.44 C ATOM 109 CG GLU A 7 -5.364 4.206 -10.246 1.00 0.55 C ATOM 110 CD GLU A 7 -6.649 4.961 -9.938 1.00 1.17 C ATOM 111 OE1 GLU A 7 -7.572 4.313 -9.403 1.00 2.59 O ATOM 112 OE2 GLU A 7 -6.683 6.169 -10.257 1.00 2.05 O ATOM 0 H GLU A 7 -3.418 3.634 -11.204 1.00 0.26 H new ATOM 0 HA GLU A 7 -2.448 3.564 -8.471 1.00 0.29 H new ATOM 0 HB2 GLU A 7 -4.960 3.969 -8.143 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -4.026 5.238 -8.910 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -4.876 4.653 -11.112 1.00 0.55 H new ATOM 0 HG3 GLU A 7 -5.600 3.175 -10.510 1.00 0.55 H new ATOM 119 N ILE A 8 -3.416 1.349 -7.688 1.00 0.26 N ATOM 120 CA ILE A 8 -4.075 0.178 -7.138 1.00 0.26 C ATOM 121 C ILE A 8 -4.710 0.640 -5.834 1.00 0.33 C ATOM 122 O ILE A 8 -4.161 1.528 -5.183 1.00 0.42 O ATOM 123 CB ILE A 8 -3.070 -0.981 -6.956 1.00 0.25 C ATOM 124 CG1 ILE A 8 -3.610 -2.302 -7.525 1.00 0.45 C ATOM 125 CG2 ILE A 8 -2.628 -1.202 -5.501 1.00 0.50 C ATOM 126 CD1 ILE A 8 -3.536 -2.315 -9.055 1.00 1.24 C ATOM 0 H ILE A 8 -2.759 1.785 -7.040 1.00 0.26 H new ATOM 0 HA ILE A 8 -4.841 -0.223 -7.802 1.00 0.26 H new ATOM 0 HB ILE A 8 -2.191 -0.669 -7.520 1.00 0.25 H new ATOM 0 HG12 ILE A 8 -3.035 -3.136 -7.123 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.643 -2.443 -7.207 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -1.923 -2.032 -5.457 1.00 0.50 H new ATOM 0 HG22 ILE A 8 -2.148 -0.298 -5.125 1.00 0.50 H new ATOM 0 HG23 ILE A 8 -3.499 -1.432 -4.887 1.00 0.50 H new ATOM 0 HD11 ILE A 8 -3.925 -3.262 -9.430 1.00 1.24 H new ATOM 0 HD12 ILE A 8 -4.131 -1.494 -9.455 1.00 1.24 H new ATOM 0 HD13 ILE A 8 -2.499 -2.198 -9.370 1.00 1.24 H new ATOM 138 N ALA A 9 -5.844 0.041 -5.471 1.00 0.33 N ATOM 139 CA ALA A 9 -6.603 0.358 -4.269 1.00 0.33 C ATOM 140 C ALA A 9 -7.070 -0.944 -3.634 1.00 0.35 C ATOM 141 O ALA A 9 -7.677 -1.760 -4.323 1.00 0.40 O ATOM 142 CB ALA A 9 -7.787 1.264 -4.614 1.00 0.36 C ATOM 0 H ALA A 9 -6.270 -0.701 -6.025 1.00 0.33 H new ATOM 0 HA ALA A 9 -5.976 0.897 -3.559 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -8.346 1.493 -3.707 1.00 0.36 H new ATOM 0 HB2 ALA A 9 -7.420 2.189 -5.058 1.00 0.36 H new ATOM 0 HB3 ALA A 9 -8.440 0.755 -5.324 1.00 0.36 H new ATOM 148 N MET A 10 -6.738 -1.169 -2.358 1.00 0.36 N ATOM 149 CA MET A 10 -6.945 -2.458 -1.713 1.00 0.42 C ATOM 150 C MET A 10 -7.046 -2.317 -0.182 1.00 0.49 C ATOM 151 O MET A 10 -6.664 -1.282 0.371 1.00 0.57 O ATOM 152 CB MET A 10 -5.848 -3.415 -2.178 1.00 0.41 C ATOM 153 CG MET A 10 -4.472 -2.880 -1.805 1.00 0.45 C ATOM 154 SD MET A 10 -3.086 -3.770 -2.552 1.00 1.25 S ATOM 155 CE MET A 10 -1.747 -2.609 -2.229 1.00 1.00 C ATOM 0 H MET A 10 -6.321 -0.463 -1.751 1.00 0.36 H new ATOM 0 HA MET A 10 -7.904 -2.881 -2.011 1.00 0.42 H new ATOM 0 HB2 MET A 10 -5.998 -4.395 -1.725 1.00 0.41 H new ATOM 0 HB3 MET A 10 -5.910 -3.550 -3.258 1.00 0.41 H new ATOM 0 HG2 MET A 10 -4.413 -1.832 -2.098 1.00 0.45 H new ATOM 0 HG3 MET A 10 -4.366 -2.914 -0.721 1.00 0.45 H new ATOM 0 HE1 MET A 10 -1.227 -2.385 -3.160 1.00 1.00 H new ATOM 0 HE2 MET A 10 -2.156 -1.689 -1.812 1.00 1.00 H new ATOM 0 HE3 MET A 10 -1.047 -3.049 -1.519 1.00 1.00 H new ATOM 165 N GLN A 11 -7.602 -3.335 0.490 1.00 0.44 N ATOM 166 CA GLN A 11 -7.977 -3.290 1.903 1.00 0.42 C ATOM 167 C GLN A 11 -6.862 -3.890 2.757 1.00 0.43 C ATOM 168 O GLN A 11 -6.191 -4.825 2.320 1.00 0.52 O ATOM 169 CB GLN A 11 -9.305 -4.015 2.198 1.00 0.40 C ATOM 170 CG GLN A 11 -10.449 -3.788 1.196 1.00 0.41 C ATOM 171 CD GLN A 11 -10.382 -4.730 -0.006 1.00 0.72 C ATOM 172 OE1 GLN A 11 -9.768 -4.272 -1.090 1.00 1.74 O flip ATOM 173 NE2 GLN A 11 -10.870 -5.853 0.040 1.00 0.84 N flip ATOM 0 H GLN A 11 -7.807 -4.233 0.052 1.00 0.44 H new ATOM 0 HA GLN A 11 -8.124 -2.240 2.156 1.00 0.42 H new ATOM 0 HB2 GLN A 11 -9.105 -5.085 2.250 1.00 0.40 H new ATOM 0 HB3 GLN A 11 -9.650 -3.707 3.185 1.00 0.40 H new ATOM 0 HG2 GLN A 11 -11.403 -3.924 1.705 1.00 0.41 H new ATOM 0 HG3 GLN A 11 -10.419 -2.756 0.845 1.00 0.41 H new ATOM 0 HE21 GLN A 11 -11.335 -6.173 0.890 1.00 0.84 H new ATOM 0 HE22 GLN A 11 -10.811 -6.468 -0.771 1.00 0.84 H new ATOM 182 N VAL A 12 -6.673 -3.369 3.972 1.00 0.45 N ATOM 183 CA VAL A 12 -5.604 -3.798 4.864 1.00 0.45 C ATOM 184 C VAL A 12 -6.187 -4.348 6.161 1.00 0.49 C ATOM 185 O VAL A 12 -7.159 -3.810 6.684 1.00 0.77 O ATOM 186 CB VAL A 12 -4.628 -2.641 5.143 1.00 0.47 C ATOM 187 CG1 VAL A 12 -3.238 -3.189 5.446 1.00 0.49 C ATOM 188 CG2 VAL A 12 -4.460 -1.709 3.943 1.00 0.54 C ATOM 0 H VAL A 12 -7.263 -2.634 4.362 1.00 0.45 H new ATOM 0 HA VAL A 12 -5.043 -4.595 4.376 1.00 0.45 H new ATOM 0 HB VAL A 12 -5.052 -2.092 5.983 1.00 0.47 H new ATOM 0 HG11 VAL A 12 -2.556 -2.362 5.642 1.00 0.49 H new ATOM 0 HG12 VAL A 12 -3.285 -3.836 6.322 1.00 0.49 H new ATOM 0 HG13 VAL A 12 -2.878 -3.762 4.591 1.00 0.49 H new ATOM 0 HG21 VAL A 12 -3.761 -0.912 4.196 1.00 0.54 H new ATOM 0 HG22 VAL A 12 -4.074 -2.274 3.095 1.00 0.54 H new ATOM 0 HG23 VAL A 12 -5.425 -1.276 3.681 1.00 0.54 H new ATOM 198 N SER A 13 -5.590 -5.412 6.696 1.00 0.47 N ATOM 199 CA SER A 13 -5.940 -5.896 8.019 1.00 0.49 C ATOM 200 C SER A 13 -5.134 -5.083 9.030 1.00 0.48 C ATOM 201 O SER A 13 -3.908 -5.136 9.004 1.00 0.73 O ATOM 202 CB SER A 13 -5.602 -7.383 8.120 1.00 0.87 C ATOM 203 OG SER A 13 -6.328 -7.991 9.172 1.00 1.05 O ATOM 0 H SER A 13 -4.862 -5.952 6.228 1.00 0.47 H new ATOM 0 HA SER A 13 -7.006 -5.781 8.216 1.00 0.49 H new ATOM 0 HB2 SER A 13 -5.834 -7.879 7.177 1.00 0.87 H new ATOM 0 HB3 SER A 13 -4.533 -7.507 8.290 1.00 0.87 H new ATOM 0 HG SER A 13 -6.100 -8.943 9.220 1.00 1.05 H new ATOM 209 N GLY A 14 -5.810 -4.336 9.905 1.00 0.66 N ATOM 210 CA GLY A 14 -5.163 -3.555 10.949 1.00 1.10 C ATOM 211 C GLY A 14 -4.764 -2.175 10.433 1.00 1.41 C ATOM 212 O GLY A 14 -3.598 -1.908 10.157 1.00 2.66 O ATOM 0 H GLY A 14 -6.827 -4.259 9.905 1.00 0.66 H new ATOM 0 HA2 GLY A 14 -5.837 -3.448 11.799 1.00 1.10 H new ATOM 0 HA3 GLY A 14 -4.279 -4.082 11.308 1.00 1.10 H new ATOM 216 N MET A 15 -5.743 -1.280 10.321 1.00 1.15 N ATOM 217 CA MET A 15 -5.577 0.103 9.949 1.00 1.36 C ATOM 218 C MET A 15 -6.431 0.947 10.898 1.00 1.86 C ATOM 219 O MET A 15 -6.942 0.425 11.885 1.00 1.44 O ATOM 220 CB MET A 15 -5.961 0.241 8.478 1.00 1.48 C ATOM 221 CG MET A 15 -7.383 -0.233 8.166 1.00 1.41 C ATOM 222 SD MET A 15 -7.643 -0.729 6.440 1.00 3.12 S ATOM 223 CE MET A 15 -6.931 0.635 5.507 1.00 4.08 C ATOM 0 H MET A 15 -6.718 -1.522 10.498 1.00 1.15 H new ATOM 0 HA MET A 15 -4.550 0.456 10.044 1.00 1.36 H new ATOM 0 HB2 MET A 15 -5.863 1.286 8.182 1.00 1.48 H new ATOM 0 HB3 MET A 15 -5.256 -0.329 7.873 1.00 1.48 H new ATOM 0 HG2 MET A 15 -7.623 -1.076 8.814 1.00 1.41 H new ATOM 0 HG3 MET A 15 -8.082 0.567 8.411 1.00 1.41 H new ATOM 0 HE1 MET A 15 -6.970 0.407 4.442 1.00 4.08 H new ATOM 0 HE2 MET A 15 -7.497 1.545 5.704 1.00 4.08 H new ATOM 0 HE3 MET A 15 -5.894 0.780 5.809 1.00 4.08 H new ATOM 233 N THR A 16 -6.552 2.248 10.626 1.00 3.04 N ATOM 234 CA THR A 16 -7.297 3.208 11.439 1.00 3.68 C ATOM 235 C THR A 16 -6.974 3.155 12.934 1.00 1.82 C ATOM 236 O THR A 16 -7.814 3.517 13.758 1.00 2.39 O ATOM 237 CB THR A 16 -8.811 3.155 11.131 1.00 5.86 C ATOM 238 OG1 THR A 16 -9.429 4.283 11.716 1.00 7.00 O ATOM 239 CG2 THR A 16 -9.541 1.897 11.611 1.00 6.22 C ATOM 0 H THR A 16 -6.120 2.675 9.807 1.00 3.04 H new ATOM 0 HA THR A 16 -6.945 4.195 11.138 1.00 3.68 H new ATOM 0 HB THR A 16 -8.888 3.142 10.044 1.00 5.86 H new ATOM 0 HG1 THR A 16 -9.008 4.476 12.580 1.00 7.00 H new ATOM 0 HG21 THR A 16 -10.596 1.964 11.344 1.00 6.22 H new ATOM 0 HG22 THR A 16 -9.102 1.019 11.138 1.00 6.22 H new ATOM 0 HG23 THR A 16 -9.446 1.812 12.694 1.00 6.22 H new ATOM 247 N CYS A 17 -5.745 2.769 13.285 1.00 0.99 N ATOM 248 CA CYS A 17 -5.368 2.480 14.661 1.00 2.81 C ATOM 249 C CYS A 17 -4.144 3.313 15.056 1.00 2.91 C ATOM 250 O CYS A 17 -3.168 2.797 15.590 1.00 3.78 O ATOM 251 CB CYS A 17 -5.158 0.967 14.785 1.00 4.57 C ATOM 252 SG CYS A 17 -5.336 0.507 16.526 1.00 7.04 S ATOM 0 H CYS A 17 -4.984 2.649 12.616 1.00 0.99 H new ATOM 0 HA CYS A 17 -6.152 2.764 15.363 1.00 2.81 H new ATOM 0 HB2 CYS A 17 -5.886 0.432 14.175 1.00 4.57 H new ATOM 0 HB3 CYS A 17 -4.170 0.690 14.419 1.00 4.57 H new ATOM 0 HG CYS A 17 -5.164 -0.775 16.656 1.00 7.04 H new ATOM 258 N ALA A 18 -4.223 4.618 14.753 1.00 2.29 N ATOM 259 CA ALA A 18 -3.192 5.641 14.939 1.00 2.32 C ATOM 260 C ALA A 18 -2.199 5.668 13.770 1.00 2.18 C ATOM 261 O ALA A 18 -1.087 5.156 13.866 1.00 3.29 O ATOM 262 CB ALA A 18 -2.502 5.552 16.308 1.00 2.60 C ATOM 0 H ALA A 18 -5.071 5.010 14.343 1.00 2.29 H new ATOM 0 HA ALA A 18 -3.703 6.604 14.936 1.00 2.32 H new ATOM 0 HB1 ALA A 18 -1.748 6.335 16.387 1.00 2.60 H new ATOM 0 HB2 ALA A 18 -3.242 5.680 17.098 1.00 2.60 H new ATOM 0 HB3 ALA A 18 -2.025 4.578 16.412 1.00 2.60 H new ATOM 268 N ALA A 19 -2.603 6.303 12.660 1.00 1.20 N ATOM 269 CA ALA A 19 -1.762 6.562 11.487 1.00 0.93 C ATOM 270 C ALA A 19 -1.171 5.280 10.882 1.00 0.78 C ATOM 271 O ALA A 19 -0.100 5.295 10.275 1.00 0.75 O ATOM 272 CB ALA A 19 -0.674 7.586 11.838 1.00 1.07 C ATOM 0 H ALA A 19 -3.552 6.660 12.553 1.00 1.20 H new ATOM 0 HA ALA A 19 -2.399 6.984 10.710 1.00 0.93 H new ATOM 0 HB1 ALA A 19 -0.054 7.773 10.961 1.00 1.07 H new ATOM 0 HB2 ALA A 19 -1.141 8.518 12.157 1.00 1.07 H new ATOM 0 HB3 ALA A 19 -0.054 7.196 12.645 1.00 1.07 H new ATOM 278 N CYS A 20 -1.885 4.164 11.030 1.00 0.85 N ATOM 279 CA CYS A 20 -1.356 2.851 10.685 1.00 0.96 C ATOM 280 C CYS A 20 -1.249 2.714 9.179 1.00 0.82 C ATOM 281 O CYS A 20 -0.148 2.595 8.662 1.00 0.78 O ATOM 282 CB CYS A 20 -2.200 1.719 11.276 1.00 1.20 C ATOM 283 SG CYS A 20 -1.827 1.549 13.031 1.00 1.50 S ATOM 0 H CYS A 20 -2.839 4.147 11.390 1.00 0.85 H new ATOM 0 HA CYS A 20 -0.361 2.767 11.122 1.00 0.96 H new ATOM 0 HB2 CYS A 20 -3.260 1.930 11.137 1.00 1.20 H new ATOM 0 HB3 CYS A 20 -1.990 0.784 10.756 1.00 1.20 H new ATOM 0 HG CYS A 20 -2.192 0.370 13.440 1.00 1.50 H new ATOM 289 N ALA A 21 -2.373 2.786 8.459 1.00 0.81 N ATOM 290 CA ALA A 21 -2.379 2.681 7.001 1.00 0.82 C ATOM 291 C ALA A 21 -1.428 3.694 6.375 1.00 0.61 C ATOM 292 O ALA A 21 -0.717 3.387 5.425 1.00 0.66 O ATOM 293 CB ALA A 21 -3.791 2.870 6.479 1.00 0.96 C ATOM 0 H ALA A 21 -3.297 2.918 8.869 1.00 0.81 H new ATOM 0 HA ALA A 21 -2.030 1.687 6.721 1.00 0.82 H new ATOM 0 HB1 ALA A 21 -3.791 2.791 5.392 1.00 0.96 H new ATOM 0 HB2 ALA A 21 -4.440 2.101 6.899 1.00 0.96 H new ATOM 0 HB3 ALA A 21 -4.158 3.854 6.771 1.00 0.96 H new ATOM 299 N ALA A 22 -1.407 4.903 6.935 1.00 0.44 N ATOM 300 CA ALA A 22 -0.467 5.933 6.548 1.00 0.29 C ATOM 301 C ALA A 22 0.974 5.416 6.625 1.00 0.28 C ATOM 302 O ALA A 22 1.677 5.430 5.619 1.00 0.28 O ATOM 303 CB ALA A 22 -0.696 7.150 7.443 1.00 0.26 C ATOM 0 H ALA A 22 -2.049 5.189 7.674 1.00 0.44 H new ATOM 0 HA ALA A 22 -0.629 6.223 5.510 1.00 0.29 H new ATOM 0 HB1 ALA A 22 0.003 7.940 7.169 1.00 0.26 H new ATOM 0 HB2 ALA A 22 -1.717 7.509 7.315 1.00 0.26 H new ATOM 0 HB3 ALA A 22 -0.537 6.871 8.485 1.00 0.26 H new ATOM 309 N ARG A 23 1.422 4.964 7.801 1.00 0.32 N ATOM 310 CA ARG A 23 2.767 4.419 7.994 1.00 0.34 C ATOM 311 C ARG A 23 3.027 3.223 7.077 1.00 0.31 C ATOM 312 O ARG A 23 4.049 3.175 6.391 1.00 0.35 O ATOM 313 CB ARG A 23 2.957 4.044 9.472 1.00 0.47 C ATOM 314 CG ARG A 23 3.110 5.305 10.334 1.00 0.59 C ATOM 315 CD ARG A 23 4.555 5.825 10.304 1.00 1.16 C ATOM 316 NE ARG A 23 4.601 7.294 10.372 1.00 2.20 N ATOM 317 CZ ARG A 23 5.719 8.023 10.526 1.00 3.01 C ATOM 318 NH1 ARG A 23 6.890 7.413 10.737 1.00 3.17 N ATOM 319 NH2 ARG A 23 5.661 9.359 10.458 1.00 4.13 N ATOM 0 H ARG A 23 0.857 4.967 8.650 1.00 0.32 H new ATOM 0 HA ARG A 23 3.497 5.182 7.725 1.00 0.34 H new ATOM 0 HB2 ARG A 23 2.103 3.462 9.818 1.00 0.47 H new ATOM 0 HB3 ARG A 23 3.839 3.412 9.582 1.00 0.47 H new ATOM 0 HG2 ARG A 23 2.434 6.080 9.973 1.00 0.59 H new ATOM 0 HG3 ARG A 23 2.821 5.084 11.362 1.00 0.59 H new ATOM 0 HD2 ARG A 23 5.112 5.403 11.141 1.00 1.16 H new ATOM 0 HD3 ARG A 23 5.046 5.486 9.392 1.00 1.16 H new ATOM 0 HE ARG A 23 3.717 7.797 10.296 1.00 2.20 H new ATOM 0 HH11 ARG A 23 6.934 6.395 10.781 1.00 3.17 H new ATOM 0 HH12 ARG A 23 7.739 7.966 10.854 1.00 3.17 H new ATOM 0 HH21 ARG A 23 4.768 9.823 10.289 1.00 4.13 H new ATOM 0 HH22 ARG A 23 6.509 9.913 10.575 1.00 4.13 H new ATOM 333 N ILE A 24 2.094 2.271 7.070 1.00 0.30 N ATOM 334 CA ILE A 24 2.120 1.083 6.236 1.00 0.33 C ATOM 335 C ILE A 24 2.450 1.488 4.802 1.00 0.28 C ATOM 336 O ILE A 24 3.455 1.048 4.243 1.00 0.31 O ATOM 337 CB ILE A 24 0.773 0.336 6.342 1.00 0.39 C ATOM 338 CG1 ILE A 24 0.612 -0.307 7.731 1.00 0.52 C ATOM 339 CG2 ILE A 24 0.671 -0.759 5.274 1.00 0.48 C ATOM 340 CD1 ILE A 24 -0.837 -0.704 8.054 1.00 0.68 C ATOM 0 H ILE A 24 1.270 2.314 7.670 1.00 0.30 H new ATOM 0 HA ILE A 24 2.894 0.395 6.576 1.00 0.33 H new ATOM 0 HB ILE A 24 -0.019 1.068 6.187 1.00 0.39 H new ATOM 0 HG12 ILE A 24 1.245 -1.192 7.789 1.00 0.52 H new ATOM 0 HG13 ILE A 24 0.968 0.390 8.490 1.00 0.52 H new ATOM 0 HG21 ILE A 24 -0.286 -1.271 5.369 1.00 0.48 H new ATOM 0 HG22 ILE A 24 0.746 -0.310 4.284 1.00 0.48 H new ATOM 0 HG23 ILE A 24 1.481 -1.476 5.409 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -0.879 -1.151 9.047 1.00 0.68 H new ATOM 0 HD12 ILE A 24 -1.471 0.182 8.028 1.00 0.68 H new ATOM 0 HD13 ILE A 24 -1.190 -1.425 7.316 1.00 0.68 H new ATOM 352 N GLU A 25 1.616 2.348 4.211 1.00 0.23 N ATOM 353 CA GLU A 25 1.805 2.694 2.816 1.00 0.22 C ATOM 354 C GLU A 25 3.095 3.503 2.673 1.00 0.28 C ATOM 355 O GLU A 25 3.896 3.251 1.789 1.00 0.49 O ATOM 356 CB GLU A 25 0.622 3.502 2.263 1.00 0.26 C ATOM 357 CG GLU A 25 0.115 2.934 0.930 1.00 0.23 C ATOM 358 CD GLU A 25 1.197 2.726 -0.117 1.00 2.03 C ATOM 359 OE1 GLU A 25 2.022 3.646 -0.283 1.00 3.71 O ATOM 360 OE2 GLU A 25 1.164 1.652 -0.749 1.00 2.70 O ATOM 0 H GLU A 25 0.826 2.803 4.669 1.00 0.23 H new ATOM 0 HA GLU A 25 1.870 1.771 2.241 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -0.190 3.501 2.990 1.00 0.26 H new ATOM 0 HB3 GLU A 25 0.924 4.540 2.124 1.00 0.26 H new ATOM 0 HG2 GLU A 25 -0.378 1.981 1.120 1.00 0.23 H new ATOM 0 HG3 GLU A 25 -0.640 3.608 0.526 1.00 0.23 H new ATOM 367 N LYS A 26 3.338 4.475 3.557 1.00 0.20 N ATOM 368 CA LYS A 26 4.536 5.297 3.522 1.00 0.20 C ATOM 369 C LYS A 26 5.815 4.457 3.434 1.00 0.23 C ATOM 370 O LYS A 26 6.759 4.840 2.741 1.00 0.26 O ATOM 371 CB LYS A 26 4.530 6.209 4.745 1.00 0.26 C ATOM 372 CG LYS A 26 3.639 7.436 4.501 1.00 0.33 C ATOM 373 CD LYS A 26 4.524 8.581 3.994 1.00 0.47 C ATOM 374 CE LYS A 26 3.673 9.819 3.661 1.00 0.52 C ATOM 375 NZ LYS A 26 4.454 11.074 3.699 1.00 1.43 N ATOM 0 H LYS A 26 2.701 4.710 4.319 1.00 0.20 H new ATOM 0 HA LYS A 26 4.529 5.905 2.617 1.00 0.20 H new ATOM 0 HB2 LYS A 26 4.170 5.658 5.614 1.00 0.26 H new ATOM 0 HB3 LYS A 26 5.547 6.530 4.970 1.00 0.26 H new ATOM 0 HG2 LYS A 26 2.864 7.203 3.771 1.00 0.33 H new ATOM 0 HG3 LYS A 26 3.133 7.727 5.421 1.00 0.33 H new ATOM 0 HD2 LYS A 26 5.266 8.836 4.751 1.00 0.47 H new ATOM 0 HD3 LYS A 26 5.070 8.260 3.107 1.00 0.47 H new ATOM 0 HE2 LYS A 26 3.235 9.698 2.670 1.00 0.52 H new ATOM 0 HE3 LYS A 26 2.847 9.888 4.369 1.00 0.52 H new ATOM 0 HZ1 LYS A 26 3.834 11.876 3.468 1.00 1.43 H new ATOM 0 HZ2 LYS A 26 4.851 11.207 4.651 1.00 1.43 H new ATOM 0 HZ3 LYS A 26 5.227 11.023 3.005 1.00 1.43 H new ATOM 389 N GLY A 27 5.844 3.305 4.106 1.00 0.27 N ATOM 390 CA GLY A 27 6.891 2.317 3.891 1.00 0.35 C ATOM 391 C GLY A 27 6.968 1.870 2.424 1.00 0.35 C ATOM 392 O GLY A 27 8.043 1.860 1.835 1.00 0.39 O ATOM 0 H GLY A 27 5.151 3.037 4.804 1.00 0.27 H new ATOM 0 HA2 GLY A 27 7.851 2.735 4.194 1.00 0.35 H new ATOM 0 HA3 GLY A 27 6.707 1.450 4.525 1.00 0.35 H new ATOM 396 N LEU A 28 5.844 1.526 1.799 1.00 0.38 N ATOM 397 CA LEU A 28 5.816 1.210 0.373 1.00 0.41 C ATOM 398 C LEU A 28 6.180 2.415 -0.491 1.00 0.36 C ATOM 399 O LEU A 28 6.769 2.222 -1.546 1.00 0.37 O ATOM 400 CB LEU A 28 4.460 0.676 -0.071 1.00 0.46 C ATOM 401 CG LEU A 28 3.978 -0.533 0.733 1.00 0.49 C ATOM 402 CD1 LEU A 28 2.517 -0.747 0.347 1.00 0.54 C ATOM 403 CD2 LEU A 28 4.779 -1.827 0.513 1.00 0.64 C ATOM 0 H LEU A 28 4.937 1.459 2.260 1.00 0.38 H new ATOM 0 HA LEU A 28 6.567 0.432 0.232 1.00 0.41 H new ATOM 0 HB2 LEU A 28 3.721 1.473 0.012 1.00 0.46 H new ATOM 0 HB3 LEU A 28 4.516 0.401 -1.124 1.00 0.46 H new ATOM 0 HG LEU A 28 4.117 -0.313 1.791 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.118 -1.602 0.893 1.00 0.54 H new ATOM 0 HD12 LEU A 28 1.941 0.144 0.596 1.00 0.54 H new ATOM 0 HD13 LEU A 28 2.448 -0.936 -0.724 1.00 0.54 H new ATOM 0 HD21 LEU A 28 4.359 -2.624 1.127 1.00 0.64 H new ATOM 0 HD22 LEU A 28 4.727 -2.113 -0.538 1.00 0.64 H new ATOM 0 HD23 LEU A 28 5.819 -1.663 0.794 1.00 0.64 H new ATOM 415 N LYS A 29 5.897 3.650 -0.063 1.00 0.32 N ATOM 416 CA LYS A 29 6.395 4.831 -0.761 1.00 0.33 C ATOM 417 C LYS A 29 7.937 4.850 -0.820 1.00 0.32 C ATOM 418 O LYS A 29 8.506 5.547 -1.657 1.00 0.39 O ATOM 419 CB LYS A 29 5.716 6.138 -0.296 1.00 0.34 C ATOM 420 CG LYS A 29 6.435 7.376 -0.855 1.00 0.50 C ATOM 421 CD LYS A 29 5.702 8.696 -0.596 1.00 0.76 C ATOM 422 CE LYS A 29 4.358 8.731 -1.330 1.00 0.83 C ATOM 423 NZ LYS A 29 4.035 10.086 -1.830 1.00 1.19 N ATOM 0 H LYS A 29 5.329 3.853 0.759 1.00 0.32 H new ATOM 0 HA LYS A 29 6.088 4.762 -1.804 1.00 0.33 H new ATOM 0 HB2 LYS A 29 4.675 6.144 -0.619 1.00 0.34 H new ATOM 0 HB3 LYS A 29 5.712 6.179 0.793 1.00 0.34 H new ATOM 0 HG2 LYS A 29 7.431 7.434 -0.416 1.00 0.50 H new ATOM 0 HG3 LYS A 29 6.568 7.251 -1.930 1.00 0.50 H new ATOM 0 HD2 LYS A 29 5.539 8.822 0.474 1.00 0.76 H new ATOM 0 HD3 LYS A 29 6.322 9.531 -0.924 1.00 0.76 H new ATOM 0 HE2 LYS A 29 4.383 8.032 -2.166 1.00 0.83 H new ATOM 0 HE3 LYS A 29 3.569 8.395 -0.658 1.00 0.83 H new ATOM 0 HZ1 LYS A 29 3.003 10.201 -1.880 1.00 1.19 H new ATOM 0 HZ2 LYS A 29 4.431 10.798 -1.184 1.00 1.19 H new ATOM 0 HZ3 LYS A 29 4.444 10.213 -2.778 1.00 1.19 H new ATOM 437 N ARG A 30 8.636 4.087 0.029 1.00 0.30 N ATOM 438 CA ARG A 30 10.075 3.874 -0.139 1.00 0.31 C ATOM 439 C ARG A 30 10.437 2.891 -1.275 1.00 0.27 C ATOM 440 O ARG A 30 11.595 2.866 -1.686 1.00 0.41 O ATOM 441 CB ARG A 30 10.741 3.469 1.194 1.00 0.46 C ATOM 442 CG ARG A 30 11.430 4.654 1.881 1.00 0.69 C ATOM 443 CD ARG A 30 10.409 5.553 2.596 1.00 0.95 C ATOM 444 NE ARG A 30 10.667 6.976 2.319 1.00 1.80 N ATOM 445 CZ ARG A 30 10.469 8.001 3.164 1.00 2.50 C ATOM 446 NH1 ARG A 30 10.005 7.784 4.401 1.00 2.99 N ATOM 447 NH2 ARG A 30 10.734 9.250 2.763 1.00 3.40 N ATOM 0 H ARG A 30 8.230 3.610 0.834 1.00 0.30 H new ATOM 0 HA ARG A 30 10.481 4.837 -0.450 1.00 0.31 H new ATOM 0 HB2 ARG A 30 9.988 3.052 1.862 1.00 0.46 H new ATOM 0 HB3 ARG A 30 11.473 2.683 1.008 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.161 4.286 2.601 1.00 0.69 H new ATOM 0 HG3 ARG A 30 11.978 5.238 1.141 1.00 0.69 H new ATOM 0 HD2 ARG A 30 9.401 5.293 2.271 1.00 0.95 H new ATOM 0 HD3 ARG A 30 10.453 5.375 3.670 1.00 0.95 H new ATOM 0 HE ARG A 30 11.032 7.206 1.395 1.00 1.80 H new ATOM 0 HH11 ARG A 30 9.799 6.834 4.709 1.00 2.99 H new ATOM 0 HH12 ARG A 30 9.858 8.569 5.036 1.00 2.99 H new ATOM 0 HH21 ARG A 30 11.084 9.419 1.820 1.00 3.40 H new ATOM 0 HH22 ARG A 30 10.586 10.033 3.400 1.00 3.40 H new ATOM 461 N MET A 31 9.515 2.053 -1.766 1.00 0.24 N ATOM 462 CA MET A 31 9.845 1.002 -2.732 1.00 0.22 C ATOM 463 C MET A 31 10.098 1.550 -4.153 1.00 0.18 C ATOM 464 O MET A 31 9.335 2.381 -4.647 1.00 0.20 O ATOM 465 CB MET A 31 8.760 -0.085 -2.733 1.00 0.29 C ATOM 466 CG MET A 31 8.793 -0.889 -1.425 1.00 0.45 C ATOM 467 SD MET A 31 10.258 -1.939 -1.213 1.00 1.47 S ATOM 468 CE MET A 31 9.883 -3.266 -2.379 1.00 2.04 C ATOM 0 H MET A 31 8.529 2.085 -1.507 1.00 0.24 H new ATOM 0 HA MET A 31 10.786 0.555 -2.411 1.00 0.22 H new ATOM 0 HB2 MET A 31 7.779 0.374 -2.859 1.00 0.29 H new ATOM 0 HB3 MET A 31 8.910 -0.754 -3.580 1.00 0.29 H new ATOM 0 HG2 MET A 31 8.737 -0.195 -0.587 1.00 0.45 H new ATOM 0 HG3 MET A 31 7.903 -1.517 -1.379 1.00 0.45 H new ATOM 0 HE1 MET A 31 10.645 -4.042 -2.305 1.00 2.04 H new ATOM 0 HE2 MET A 31 8.908 -3.692 -2.144 1.00 2.04 H new ATOM 0 HE3 MET A 31 9.869 -2.866 -3.393 1.00 2.04 H new ATOM 478 N PRO A 32 11.162 1.087 -4.834 1.00 0.20 N ATOM 479 CA PRO A 32 11.627 1.648 -6.098 1.00 0.22 C ATOM 480 C PRO A 32 10.662 1.334 -7.248 1.00 0.25 C ATOM 481 O PRO A 32 10.773 0.278 -7.857 1.00 0.46 O ATOM 482 CB PRO A 32 13.001 1.005 -6.332 1.00 0.32 C ATOM 483 CG PRO A 32 12.873 -0.352 -5.639 1.00 0.34 C ATOM 484 CD PRO A 32 12.033 -0.001 -4.413 1.00 0.28 C ATOM 0 HA PRO A 32 11.684 2.736 -6.059 1.00 0.22 H new ATOM 0 HB2 PRO A 32 13.219 0.896 -7.394 1.00 0.32 H new ATOM 0 HB3 PRO A 32 13.804 1.603 -5.902 1.00 0.32 H new ATOM 0 HG2 PRO A 32 12.382 -1.090 -6.273 1.00 0.34 H new ATOM 0 HG3 PRO A 32 13.844 -0.764 -5.365 1.00 0.34 H new ATOM 0 HD2 PRO A 32 11.453 -0.860 -4.076 1.00 0.28 H new ATOM 0 HD3 PRO A 32 12.665 0.303 -3.579 1.00 0.28 H new ATOM 492 N GLY A 33 9.742 2.253 -7.561 1.00 0.17 N ATOM 493 CA GLY A 33 8.753 2.101 -8.624 1.00 0.16 C ATOM 494 C GLY A 33 7.424 2.732 -8.214 1.00 0.17 C ATOM 495 O GLY A 33 6.581 3.029 -9.059 1.00 0.20 O ATOM 0 H GLY A 33 9.666 3.143 -7.068 1.00 0.17 H new ATOM 0 HA2 GLY A 33 9.118 2.570 -9.538 1.00 0.16 H new ATOM 0 HA3 GLY A 33 8.607 1.044 -8.844 1.00 0.16 H new ATOM 499 N VAL A 34 7.225 2.948 -6.911 1.00 0.18 N ATOM 500 CA VAL A 34 6.126 3.748 -6.396 1.00 0.16 C ATOM 501 C VAL A 34 6.291 5.217 -6.791 1.00 0.17 C ATOM 502 O VAL A 34 7.406 5.685 -7.017 1.00 0.21 O ATOM 503 CB VAL A 34 6.081 3.550 -4.876 1.00 0.21 C ATOM 504 CG1 VAL A 34 7.173 4.382 -4.194 1.00 0.27 C ATOM 505 CG2 VAL A 34 4.698 3.859 -4.295 1.00 0.29 C ATOM 0 H VAL A 34 7.830 2.567 -6.184 1.00 0.18 H new ATOM 0 HA VAL A 34 5.177 3.429 -6.827 1.00 0.16 H new ATOM 0 HB VAL A 34 6.275 2.497 -4.675 1.00 0.21 H new ATOM 0 HG11 VAL A 34 7.127 4.230 -3.116 1.00 0.27 H new ATOM 0 HG12 VAL A 34 8.151 4.071 -4.563 1.00 0.27 H new ATOM 0 HG13 VAL A 34 7.019 5.438 -4.418 1.00 0.27 H new ATOM 0 HG21 VAL A 34 4.714 3.705 -3.216 1.00 0.29 H new ATOM 0 HG22 VAL A 34 4.436 4.895 -4.510 1.00 0.29 H new ATOM 0 HG23 VAL A 34 3.958 3.197 -4.745 1.00 0.29 H new ATOM 515 N THR A 35 5.177 5.946 -6.847 1.00 0.20 N ATOM 516 CA THR A 35 5.157 7.398 -6.959 1.00 0.27 C ATOM 517 C THR A 35 4.440 7.998 -5.756 1.00 0.24 C ATOM 518 O THR A 35 5.041 8.782 -5.016 1.00 0.31 O ATOM 519 CB THR A 35 4.531 7.856 -8.291 1.00 0.37 C ATOM 520 OG1 THR A 35 4.249 6.738 -9.101 1.00 0.45 O ATOM 521 CG2 THR A 35 5.491 8.735 -9.092 1.00 0.48 C ATOM 0 H THR A 35 4.245 5.532 -6.815 1.00 0.20 H new ATOM 0 HA THR A 35 6.184 7.762 -6.962 1.00 0.27 H new ATOM 0 HB THR A 35 3.629 8.413 -8.037 1.00 0.37 H new ATOM 0 HG1 THR A 35 3.974 7.040 -9.992 1.00 0.45 H new ATOM 0 HG21 THR A 35 5.015 9.038 -10.024 1.00 0.48 H new ATOM 0 HG22 THR A 35 5.745 9.621 -8.510 1.00 0.48 H new ATOM 0 HG23 THR A 35 6.399 8.174 -9.314 1.00 0.48 H new ATOM 529 N ASP A 36 3.162 7.649 -5.551 1.00 0.20 N ATOM 530 CA ASP A 36 2.368 8.336 -4.537 1.00 0.27 C ATOM 531 C ASP A 36 1.344 7.451 -3.836 1.00 0.38 C ATOM 532 O ASP A 36 0.746 6.585 -4.464 1.00 0.61 O ATOM 533 CB ASP A 36 1.752 9.634 -5.076 1.00 0.42 C ATOM 534 CG ASP A 36 1.812 10.701 -3.998 1.00 1.19 C ATOM 535 OD1 ASP A 36 1.615 10.320 -2.819 1.00 2.24 O ATOM 536 OD2 ASP A 36 2.239 11.828 -4.305 1.00 2.28 O ATOM 0 H ASP A 36 2.671 6.915 -6.061 1.00 0.20 H new ATOM 0 HA ASP A 36 3.075 8.610 -3.754 1.00 0.27 H new ATOM 0 HB2 ASP A 36 2.292 9.966 -5.963 1.00 0.42 H new ATOM 0 HB3 ASP A 36 0.719 9.462 -5.377 1.00 0.42 H new ATOM 541 N ALA A 37 1.172 7.671 -2.530 1.00 0.33 N ATOM 542 CA ALA A 37 0.322 6.904 -1.634 1.00 0.39 C ATOM 543 C ALA A 37 -0.835 7.772 -1.146 1.00 0.51 C ATOM 544 O ALA A 37 -0.614 8.933 -0.806 1.00 0.79 O ATOM 545 CB ALA A 37 1.167 6.480 -0.436 1.00 0.64 C ATOM 0 H ALA A 37 1.651 8.432 -2.049 1.00 0.33 H new ATOM 0 HA ALA A 37 -0.082 6.035 -2.153 1.00 0.39 H new ATOM 0 HB1 ALA A 37 0.554 5.901 0.255 1.00 0.64 H new ATOM 0 HB2 ALA A 37 2.003 5.870 -0.778 1.00 0.64 H new ATOM 0 HB3 ALA A 37 1.549 7.366 0.072 1.00 0.64 H new ATOM 551 N ASN A 38 -2.048 7.222 -1.056 1.00 0.37 N ATOM 552 CA ASN A 38 -3.208 7.923 -0.526 1.00 0.38 C ATOM 553 C ASN A 38 -4.070 6.933 0.251 1.00 0.28 C ATOM 554 O ASN A 38 -4.657 6.019 -0.325 1.00 0.26 O ATOM 555 CB ASN A 38 -4.011 8.594 -1.650 1.00 0.48 C ATOM 556 CG ASN A 38 -3.458 9.975 -1.993 1.00 0.68 C ATOM 557 OD1 ASN A 38 -3.553 10.896 -1.190 1.00 1.31 O ATOM 558 ND2 ASN A 38 -2.895 10.145 -3.186 1.00 1.10 N ATOM 0 H ASN A 38 -2.249 6.267 -1.353 1.00 0.37 H new ATOM 0 HA ASN A 38 -2.876 8.716 0.144 1.00 0.38 H new ATOM 0 HB2 ASN A 38 -3.990 7.963 -2.538 1.00 0.48 H new ATOM 0 HB3 ASN A 38 -5.054 8.685 -1.348 1.00 0.48 H new ATOM 0 HD21 ASN A 38 -2.529 11.059 -3.452 1.00 1.10 H new ATOM 0 HD22 ASN A 38 -2.829 9.361 -3.835 1.00 1.10 H new ATOM 565 N VAL A 39 -4.158 7.125 1.566 1.00 0.31 N ATOM 566 CA VAL A 39 -4.957 6.283 2.445 1.00 0.32 C ATOM 567 C VAL A 39 -6.429 6.711 2.403 1.00 0.39 C ATOM 568 O VAL A 39 -6.726 7.901 2.331 1.00 0.53 O ATOM 569 CB VAL A 39 -4.357 6.322 3.862 1.00 0.52 C ATOM 570 CG1 VAL A 39 -4.207 7.734 4.449 1.00 0.68 C ATOM 571 CG2 VAL A 39 -5.215 5.495 4.818 1.00 0.88 C ATOM 0 H VAL A 39 -3.671 7.877 2.053 1.00 0.31 H new ATOM 0 HA VAL A 39 -4.932 5.248 2.105 1.00 0.32 H new ATOM 0 HB VAL A 39 -3.354 5.908 3.760 1.00 0.52 H new ATOM 0 HG11 VAL A 39 -3.777 7.669 5.449 1.00 0.68 H new ATOM 0 HG12 VAL A 39 -3.552 8.326 3.810 1.00 0.68 H new ATOM 0 HG13 VAL A 39 -5.186 8.210 4.505 1.00 0.68 H new ATOM 0 HG21 VAL A 39 -4.782 5.529 5.818 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -6.225 5.903 4.846 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -5.251 4.462 4.473 1.00 0.88 H new ATOM 581 N ASN A 40 -7.346 5.733 2.452 1.00 0.34 N ATOM 582 CA ASN A 40 -8.789 5.924 2.448 1.00 0.42 C ATOM 583 C ASN A 40 -9.456 5.146 3.582 1.00 0.37 C ATOM 584 O ASN A 40 -10.206 4.190 3.362 1.00 0.30 O ATOM 585 CB ASN A 40 -9.373 5.532 1.085 1.00 0.48 C ATOM 586 CG ASN A 40 -10.797 6.065 0.936 1.00 0.93 C ATOM 587 OD1 ASN A 40 -11.219 6.950 1.671 1.00 1.07 O ATOM 588 ND2 ASN A 40 -11.570 5.497 0.017 1.00 1.36 N ATOM 0 H ASN A 40 -7.082 4.749 2.497 1.00 0.34 H new ATOM 0 HA ASN A 40 -8.995 6.981 2.618 1.00 0.42 H new ATOM 0 HB2 ASN A 40 -8.745 5.928 0.287 1.00 0.48 H new ATOM 0 HB3 ASN A 40 -9.373 4.447 0.982 1.00 0.48 H new ATOM 0 HD21 ASN A 40 -12.539 5.796 -0.089 1.00 1.36 H new ATOM 0 HD22 ASN A 40 -11.194 4.762 -0.582 1.00 1.36 H new ATOM 595 N LEU A 41 -9.212 5.581 4.821 1.00 0.51 N ATOM 596 CA LEU A 41 -9.822 4.962 5.993 1.00 0.59 C ATOM 597 C LEU A 41 -11.344 5.073 5.982 1.00 0.65 C ATOM 598 O LEU A 41 -12.013 4.240 6.586 1.00 0.65 O ATOM 599 CB LEU A 41 -9.244 5.529 7.295 1.00 0.88 C ATOM 600 CG LEU A 41 -7.733 5.293 7.436 1.00 0.97 C ATOM 601 CD1 LEU A 41 -7.286 5.581 8.868 1.00 1.22 C ATOM 602 CD2 LEU A 41 -7.346 3.853 7.089 1.00 0.90 C ATOM 0 H LEU A 41 -8.593 6.363 5.035 1.00 0.51 H new ATOM 0 HA LEU A 41 -9.575 3.902 5.946 1.00 0.59 H new ATOM 0 HB2 LEU A 41 -9.444 6.600 7.339 1.00 0.88 H new ATOM 0 HB3 LEU A 41 -9.757 5.074 8.142 1.00 0.88 H new ATOM 0 HG LEU A 41 -7.238 5.968 6.738 1.00 0.97 H new ATOM 0 HD11 LEU A 41 -6.213 5.410 8.956 1.00 1.22 H new ATOM 0 HD12 LEU A 41 -7.510 6.618 9.117 1.00 1.22 H new ATOM 0 HD13 LEU A 41 -7.816 4.920 9.554 1.00 1.22 H new ATOM 0 HD21 LEU A 41 -6.269 3.728 7.202 1.00 0.90 H new ATOM 0 HD22 LEU A 41 -7.863 3.166 7.759 1.00 0.90 H new ATOM 0 HD23 LEU A 41 -7.630 3.638 6.059 1.00 0.90 H new ATOM 614 N ALA A 42 -11.898 6.032 5.230 1.00 0.74 N ATOM 615 CA ALA A 42 -13.337 6.141 5.023 1.00 0.82 C ATOM 616 C ALA A 42 -13.913 4.844 4.449 1.00 0.70 C ATOM 617 O ALA A 42 -15.117 4.615 4.525 1.00 0.79 O ATOM 618 CB ALA A 42 -13.640 7.309 4.082 1.00 0.95 C ATOM 0 H ALA A 42 -11.357 6.751 4.750 1.00 0.74 H new ATOM 0 HA ALA A 42 -13.807 6.322 5.989 1.00 0.82 H new ATOM 0 HB1 ALA A 42 -14.717 7.385 3.931 1.00 0.95 H new ATOM 0 HB2 ALA A 42 -13.269 8.235 4.520 1.00 0.95 H new ATOM 0 HB3 ALA A 42 -13.151 7.140 3.123 1.00 0.95 H new ATOM 624 N THR A 43 -13.059 4.012 3.848 1.00 0.55 N ATOM 625 CA THR A 43 -13.435 2.748 3.250 1.00 0.49 C ATOM 626 C THR A 43 -12.496 1.634 3.739 1.00 0.35 C ATOM 627 O THR A 43 -12.409 0.596 3.089 1.00 0.33 O ATOM 628 CB THR A 43 -13.388 2.964 1.725 1.00 0.58 C ATOM 629 OG1 THR A 43 -14.018 4.193 1.402 1.00 0.72 O ATOM 630 CG2 THR A 43 -14.099 1.871 0.934 1.00 0.60 C ATOM 0 H THR A 43 -12.062 4.213 3.767 1.00 0.55 H new ATOM 0 HA THR A 43 -14.436 2.428 3.537 1.00 0.49 H new ATOM 0 HB THR A 43 -12.333 2.953 1.452 1.00 0.58 H new ATOM 0 HG1 THR A 43 -13.987 4.332 0.432 1.00 0.72 H new ATOM 0 HG21 THR A 43 -14.026 2.087 -0.132 1.00 0.60 H new ATOM 0 HG22 THR A 43 -13.631 0.909 1.142 1.00 0.60 H new ATOM 0 HG23 THR A 43 -15.149 1.835 1.226 1.00 0.60 H new ATOM 638 N GLU A 44 -11.775 1.847 4.854 1.00 0.34 N ATOM 639 CA GLU A 44 -10.706 0.966 5.329 1.00 0.33 C ATOM 640 C GLU A 44 -9.920 0.353 4.166 1.00 0.28 C ATOM 641 O GLU A 44 -9.807 -0.864 4.020 1.00 0.44 O ATOM 642 CB GLU A 44 -11.247 -0.072 6.320 1.00 0.53 C ATOM 643 CG GLU A 44 -11.697 0.598 7.626 1.00 0.76 C ATOM 644 CD GLU A 44 -11.566 -0.364 8.798 1.00 2.05 C ATOM 645 OE1 GLU A 44 -10.428 -0.471 9.305 1.00 3.84 O ATOM 646 OE2 GLU A 44 -12.593 -0.979 9.154 1.00 2.19 O ATOM 0 H GLU A 44 -11.926 2.654 5.459 1.00 0.34 H new ATOM 0 HA GLU A 44 -9.985 1.568 5.883 1.00 0.33 H new ATOM 0 HB2 GLU A 44 -12.086 -0.605 5.872 1.00 0.53 H new ATOM 0 HB3 GLU A 44 -10.476 -0.813 6.534 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -11.095 1.488 7.810 1.00 0.76 H new ATOM 0 HG3 GLU A 44 -12.732 0.927 7.534 1.00 0.76 H new ATOM 653 N THR A 45 -9.393 1.231 3.313 1.00 0.25 N ATOM 654 CA THR A 45 -8.701 0.869 2.092 1.00 0.30 C ATOM 655 C THR A 45 -7.572 1.873 1.924 1.00 0.26 C ATOM 656 O THR A 45 -7.648 2.987 2.443 1.00 0.22 O ATOM 657 CB THR A 45 -9.722 0.928 0.936 1.00 0.37 C ATOM 658 OG1 THR A 45 -10.673 -0.105 1.082 1.00 0.48 O ATOM 659 CG2 THR A 45 -9.143 0.798 -0.476 1.00 0.50 C ATOM 0 H THR A 45 -9.441 2.239 3.463 1.00 0.25 H new ATOM 0 HA THR A 45 -8.281 -0.137 2.110 1.00 0.30 H new ATOM 0 HB THR A 45 -10.150 1.927 1.017 1.00 0.37 H new ATOM 0 HG1 THR A 45 -11.382 0.187 1.692 1.00 0.48 H new ATOM 0 HG21 THR A 45 -9.950 0.853 -1.207 1.00 0.50 H new ATOM 0 HG22 THR A 45 -8.435 1.608 -0.655 1.00 0.50 H new ATOM 0 HG23 THR A 45 -8.631 -0.159 -0.573 1.00 0.50 H new ATOM 667 N VAL A 46 -6.514 1.480 1.222 1.00 0.33 N ATOM 668 CA VAL A 46 -5.459 2.397 0.829 1.00 0.28 C ATOM 669 C VAL A 46 -5.214 2.265 -0.666 1.00 0.27 C ATOM 670 O VAL A 46 -5.399 1.184 -1.229 1.00 0.34 O ATOM 671 CB VAL A 46 -4.221 2.157 1.695 1.00 0.36 C ATOM 672 CG1 VAL A 46 -3.730 0.704 1.638 1.00 0.52 C ATOM 673 CG2 VAL A 46 -3.059 3.063 1.292 1.00 0.30 C ATOM 0 H VAL A 46 -6.367 0.519 0.912 1.00 0.33 H new ATOM 0 HA VAL A 46 -5.748 3.434 1.002 1.00 0.28 H new ATOM 0 HB VAL A 46 -4.539 2.388 2.712 1.00 0.36 H new ATOM 0 HG11 VAL A 46 -2.850 0.592 2.271 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -4.518 0.039 1.992 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -3.473 0.447 0.610 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -2.200 2.860 1.932 1.00 0.30 H new ATOM 0 HG22 VAL A 46 -2.791 2.870 0.253 1.00 0.30 H new ATOM 0 HG23 VAL A 46 -3.355 4.106 1.403 1.00 0.30 H new ATOM 683 N ASN A 47 -4.848 3.389 -1.293 1.00 0.22 N ATOM 684 CA ASN A 47 -4.545 3.491 -2.703 1.00 0.22 C ATOM 685 C ASN A 47 -3.083 3.874 -2.856 1.00 0.20 C ATOM 686 O ASN A 47 -2.576 4.671 -2.068 1.00 0.24 O ATOM 687 CB ASN A 47 -5.452 4.537 -3.361 1.00 0.37 C ATOM 688 CG ASN A 47 -5.125 4.717 -4.841 1.00 1.02 C ATOM 689 OD1 ASN A 47 -5.735 4.088 -5.694 1.00 2.48 O ATOM 690 ND2 ASN A 47 -4.167 5.583 -5.171 1.00 0.66 N ATOM 0 H ASN A 47 -4.755 4.279 -0.803 1.00 0.22 H new ATOM 0 HA ASN A 47 -4.723 2.535 -3.196 1.00 0.22 H new ATOM 0 HB2 ASN A 47 -6.494 4.235 -3.253 1.00 0.37 H new ATOM 0 HB3 ASN A 47 -5.341 5.491 -2.845 1.00 0.37 H new ATOM 0 HD21 ASN A 47 -3.930 5.732 -6.152 1.00 0.66 H new ATOM 0 HD22 ASN A 47 -3.671 6.097 -4.443 1.00 0.66 H new ATOM 697 N VAL A 48 -2.416 3.345 -3.877 1.00 0.20 N ATOM 698 CA VAL A 48 -1.055 3.724 -4.206 1.00 0.25 C ATOM 699 C VAL A 48 -0.856 3.665 -5.716 1.00 0.24 C ATOM 700 O VAL A 48 -1.397 2.785 -6.381 1.00 0.24 O ATOM 701 CB VAL A 48 -0.061 2.876 -3.400 1.00 0.30 C ATOM 702 CG1 VAL A 48 -0.232 1.374 -3.650 1.00 0.31 C ATOM 703 CG2 VAL A 48 1.388 3.282 -3.690 1.00 0.39 C ATOM 0 H VAL A 48 -2.810 2.639 -4.499 1.00 0.20 H new ATOM 0 HA VAL A 48 -0.861 4.757 -3.917 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.284 3.071 -2.351 1.00 0.30 H new ATOM 0 HG11 VAL A 48 0.495 0.821 -3.056 1.00 0.31 H new ATOM 0 HG12 VAL A 48 -1.239 1.070 -3.365 1.00 0.31 H new ATOM 0 HG13 VAL A 48 -0.074 1.161 -4.707 1.00 0.31 H new ATOM 0 HG21 VAL A 48 2.064 2.661 -3.102 1.00 0.39 H new ATOM 0 HG22 VAL A 48 1.599 3.145 -4.751 1.00 0.39 H new ATOM 0 HG23 VAL A 48 1.533 4.329 -3.423 1.00 0.39 H new ATOM 713 N ILE A 49 -0.107 4.637 -6.235 1.00 0.25 N ATOM 714 CA ILE A 49 0.276 4.782 -7.625 1.00 0.22 C ATOM 715 C ILE A 49 1.708 4.273 -7.748 1.00 0.21 C ATOM 716 O ILE A 49 2.600 4.773 -7.055 1.00 0.28 O ATOM 717 CB ILE A 49 0.140 6.252 -8.054 1.00 0.25 C ATOM 718 CG1 ILE A 49 -1.325 6.712 -7.975 1.00 0.38 C ATOM 719 CG2 ILE A 49 0.635 6.458 -9.492 1.00 0.43 C ATOM 720 CD1 ILE A 49 -1.425 8.135 -7.426 1.00 0.69 C ATOM 0 H ILE A 49 0.268 5.387 -5.654 1.00 0.25 H new ATOM 0 HA ILE A 49 -0.371 4.206 -8.286 1.00 0.22 H new ATOM 0 HB ILE A 49 0.751 6.841 -7.370 1.00 0.25 H new ATOM 0 HG12 ILE A 49 -1.777 6.668 -8.966 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -1.889 6.032 -7.337 1.00 0.38 H new ATOM 0 HG21 ILE A 49 0.526 7.507 -9.767 1.00 0.43 H new ATOM 0 HG22 ILE A 49 1.685 6.172 -9.560 1.00 0.43 H new ATOM 0 HG23 ILE A 49 0.046 5.842 -10.171 1.00 0.43 H new ATOM 0 HD11 ILE A 49 -2.472 8.435 -7.381 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -0.994 8.170 -6.425 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -0.880 8.816 -8.080 1.00 0.69 H new ATOM 732 N TYR A 50 1.915 3.277 -8.612 1.00 0.17 N ATOM 733 CA TYR A 50 3.218 2.685 -8.862 1.00 0.17 C ATOM 734 C TYR A 50 3.329 2.246 -10.312 1.00 0.17 C ATOM 735 O TYR A 50 2.328 2.164 -11.030 1.00 0.18 O ATOM 736 CB TYR A 50 3.473 1.488 -7.930 1.00 0.19 C ATOM 737 CG TYR A 50 2.361 0.449 -7.881 1.00 0.21 C ATOM 738 CD1 TYR A 50 2.046 -0.323 -9.017 1.00 1.66 C ATOM 739 CD2 TYR A 50 1.702 0.184 -6.666 1.00 1.75 C ATOM 740 CE1 TYR A 50 1.095 -1.353 -8.937 1.00 1.65 C ATOM 741 CE2 TYR A 50 0.810 -0.898 -6.570 1.00 1.76 C ATOM 742 CZ TYR A 50 0.514 -1.673 -7.701 1.00 0.28 C ATOM 743 OH TYR A 50 -0.191 -2.833 -7.572 1.00 0.33 O ATOM 0 H TYR A 50 1.166 2.857 -9.163 1.00 0.17 H new ATOM 0 HA TYR A 50 3.974 3.443 -8.659 1.00 0.17 H new ATOM 0 HB2 TYR A 50 4.394 0.995 -8.243 1.00 0.19 H new ATOM 0 HB3 TYR A 50 3.640 1.864 -6.921 1.00 0.19 H new ATOM 0 HD1 TYR A 50 2.540 -0.121 -9.956 1.00 1.66 H new ATOM 0 HD2 TYR A 50 1.882 0.813 -5.806 1.00 1.75 H new ATOM 0 HE1 TYR A 50 0.811 -1.898 -9.825 1.00 1.65 H new ATOM 0 HE2 TYR A 50 0.351 -1.134 -5.621 1.00 1.76 H new ATOM 0 HH TYR A 50 -0.323 -3.031 -6.621 1.00 0.33 H new ATOM 753 N ASP A 51 4.562 1.933 -10.708 1.00 0.18 N ATOM 754 CA ASP A 51 4.895 1.445 -12.026 1.00 0.20 C ATOM 755 C ASP A 51 5.077 -0.080 -12.003 1.00 0.26 C ATOM 756 O ASP A 51 6.056 -0.548 -11.418 1.00 0.24 O ATOM 757 CB ASP A 51 6.177 2.147 -12.461 1.00 0.24 C ATOM 758 CG ASP A 51 6.446 1.836 -13.923 1.00 0.34 C ATOM 759 OD1 ASP A 51 6.512 0.624 -14.219 1.00 2.12 O ATOM 760 OD2 ASP A 51 6.537 2.796 -14.717 1.00 1.74 O ATOM 0 H ASP A 51 5.373 2.018 -10.096 1.00 0.18 H new ATOM 0 HA ASP A 51 4.093 1.659 -12.733 1.00 0.20 H new ATOM 0 HB2 ASP A 51 6.083 3.223 -12.317 1.00 0.24 H new ATOM 0 HB3 ASP A 51 7.014 1.815 -11.846 1.00 0.24 H new ATOM 765 N PRO A 52 4.200 -0.865 -12.659 1.00 0.38 N ATOM 766 CA PRO A 52 4.259 -2.324 -12.680 1.00 0.47 C ATOM 767 C PRO A 52 5.444 -2.891 -13.468 1.00 0.52 C ATOM 768 O PRO A 52 5.491 -4.101 -13.680 1.00 0.66 O ATOM 769 CB PRO A 52 2.912 -2.771 -13.254 1.00 0.61 C ATOM 770 CG PRO A 52 2.561 -1.635 -14.209 1.00 0.61 C ATOM 771 CD PRO A 52 3.095 -0.401 -13.482 1.00 0.47 C ATOM 0 HA PRO A 52 4.428 -2.711 -11.675 1.00 0.47 H new ATOM 0 HB2 PRO A 52 2.990 -3.727 -13.773 1.00 0.61 H new ATOM 0 HB3 PRO A 52 2.160 -2.892 -12.475 1.00 0.61 H new ATOM 0 HG2 PRO A 52 3.033 -1.766 -15.183 1.00 0.61 H new ATOM 0 HG3 PRO A 52 1.487 -1.569 -14.381 1.00 0.61 H new ATOM 0 HD2 PRO A 52 3.429 0.356 -14.192 1.00 0.47 H new ATOM 0 HD3 PRO A 52 2.318 0.057 -12.870 1.00 0.47 H new ATOM 779 N ALA A 53 6.411 -2.066 -13.878 1.00 0.47 N ATOM 780 CA ALA A 53 7.634 -2.559 -14.499 1.00 0.56 C ATOM 781 C ALA A 53 8.578 -2.980 -13.378 1.00 0.48 C ATOM 782 O ALA A 53 9.095 -4.094 -13.360 1.00 0.60 O ATOM 783 CB ALA A 53 8.264 -1.475 -15.382 1.00 0.63 C ATOM 0 H ALA A 53 6.366 -1.051 -13.789 1.00 0.47 H new ATOM 0 HA ALA A 53 7.423 -3.410 -15.147 1.00 0.56 H new ATOM 0 HB1 ALA A 53 9.176 -1.861 -15.837 1.00 0.63 H new ATOM 0 HB2 ALA A 53 7.561 -1.189 -16.164 1.00 0.63 H new ATOM 0 HB3 ALA A 53 8.504 -0.603 -14.773 1.00 0.63 H new ATOM 789 N GLU A 54 8.758 -2.063 -12.428 1.00 0.32 N ATOM 790 CA GLU A 54 9.611 -2.209 -11.262 1.00 0.27 C ATOM 791 C GLU A 54 8.823 -2.760 -10.068 1.00 0.28 C ATOM 792 O GLU A 54 9.372 -3.424 -9.192 1.00 0.58 O ATOM 793 CB GLU A 54 10.143 -0.814 -10.916 1.00 0.39 C ATOM 794 CG GLU A 54 11.121 -0.259 -11.963 1.00 0.59 C ATOM 795 CD GLU A 54 12.463 -0.982 -11.939 1.00 1.66 C ATOM 796 OE1 GLU A 54 13.145 -0.877 -10.897 1.00 2.20 O ATOM 797 OE2 GLU A 54 12.786 -1.619 -12.963 1.00 3.32 O ATOM 0 H GLU A 54 8.289 -1.158 -12.457 1.00 0.32 H new ATOM 0 HA GLU A 54 10.420 -2.907 -11.478 1.00 0.27 H new ATOM 0 HB2 GLU A 54 9.303 -0.127 -10.814 1.00 0.39 H new ATOM 0 HB3 GLU A 54 10.642 -0.853 -9.948 1.00 0.39 H new ATOM 0 HG2 GLU A 54 10.679 -0.351 -12.955 1.00 0.59 H new ATOM 0 HG3 GLU A 54 11.280 0.804 -11.782 1.00 0.59 H new ATOM 804 N THR A 55 7.555 -2.365 -9.958 1.00 0.23 N ATOM 805 CA THR A 55 6.752 -2.362 -8.742 1.00 0.21 C ATOM 806 C THR A 55 5.264 -2.642 -8.876 1.00 0.33 C ATOM 807 O THR A 55 4.535 -1.918 -9.542 1.00 0.54 O ATOM 808 CB THR A 55 6.943 -1.031 -8.050 1.00 0.31 C ATOM 809 OG1 THR A 55 8.284 -0.923 -7.632 1.00 0.49 O ATOM 810 CG2 THR A 55 6.227 -0.942 -6.721 1.00 0.40 C ATOM 0 H THR A 55 7.033 -2.019 -10.763 1.00 0.23 H new ATOM 0 HA THR A 55 7.122 -3.214 -8.171 1.00 0.21 H new ATOM 0 HB THR A 55 6.592 -0.288 -8.766 1.00 0.31 H new ATOM 0 HG1 THR A 55 8.383 -0.142 -7.048 1.00 0.49 H new ATOM 0 HG21 THR A 55 6.405 0.037 -6.277 1.00 0.40 H new ATOM 0 HG22 THR A 55 5.157 -1.082 -6.874 1.00 0.40 H new ATOM 0 HG23 THR A 55 6.603 -1.717 -6.053 1.00 0.40 H new ATOM 818 N GLY A 56 4.773 -3.567 -8.053 1.00 0.34 N ATOM 819 CA GLY A 56 3.375 -3.570 -7.701 1.00 0.58 C ATOM 820 C GLY A 56 3.130 -4.538 -6.557 1.00 0.38 C ATOM 821 O GLY A 56 4.050 -4.882 -5.814 1.00 0.31 O ATOM 0 H GLY A 56 5.324 -4.312 -7.627 1.00 0.34 H new ATOM 0 HA2 GLY A 56 3.062 -2.567 -7.413 1.00 0.58 H new ATOM 0 HA3 GLY A 56 2.775 -3.855 -8.565 1.00 0.58 H new ATOM 825 N THR A 57 1.879 -4.985 -6.476 1.00 0.33 N ATOM 826 CA THR A 57 1.320 -5.973 -5.567 1.00 0.23 C ATOM 827 C THR A 57 2.351 -7.021 -5.122 1.00 0.20 C ATOM 828 O THR A 57 2.550 -7.202 -3.924 1.00 0.23 O ATOM 829 CB THR A 57 0.011 -6.521 -6.188 1.00 0.31 C ATOM 830 OG1 THR A 57 -0.409 -7.723 -5.593 1.00 0.64 O ATOM 831 CG2 THR A 57 0.035 -6.739 -7.708 1.00 0.42 C ATOM 0 H THR A 57 1.164 -4.627 -7.109 1.00 0.33 H new ATOM 0 HA THR A 57 1.048 -5.513 -4.617 1.00 0.23 H new ATOM 0 HB THR A 57 -0.693 -5.715 -5.981 1.00 0.31 H new ATOM 0 HG1 THR A 57 -0.350 -7.644 -4.618 1.00 0.64 H new ATOM 0 HG21 THR A 57 -0.931 -7.124 -8.036 1.00 0.42 H new ATOM 0 HG22 THR A 57 0.237 -5.792 -8.208 1.00 0.42 H new ATOM 0 HG23 THR A 57 0.816 -7.456 -7.960 1.00 0.42 H new ATOM 839 N ALA A 58 3.058 -7.650 -6.066 1.00 0.22 N ATOM 840 CA ALA A 58 4.119 -8.609 -5.771 1.00 0.23 C ATOM 841 C ALA A 58 5.112 -8.102 -4.715 1.00 0.21 C ATOM 842 O ALA A 58 5.364 -8.773 -3.720 1.00 0.25 O ATOM 843 CB ALA A 58 4.868 -8.959 -7.062 1.00 0.26 C ATOM 0 H ALA A 58 2.906 -7.504 -7.064 1.00 0.22 H new ATOM 0 HA ALA A 58 3.641 -9.496 -5.354 1.00 0.23 H new ATOM 0 HB1 ALA A 58 5.660 -9.675 -6.841 1.00 0.26 H new ATOM 0 HB2 ALA A 58 4.173 -9.397 -7.779 1.00 0.26 H new ATOM 0 HB3 ALA A 58 5.305 -8.055 -7.486 1.00 0.26 H new ATOM 849 N ALA A 59 5.718 -6.935 -4.950 1.00 0.19 N ATOM 850 CA ALA A 59 6.711 -6.377 -4.045 1.00 0.18 C ATOM 851 C ALA A 59 6.003 -5.852 -2.808 1.00 0.16 C ATOM 852 O ALA A 59 6.510 -5.919 -1.686 1.00 0.18 O ATOM 853 CB ALA A 59 7.491 -5.269 -4.762 1.00 0.21 C ATOM 0 H ALA A 59 5.531 -6.358 -5.770 1.00 0.19 H new ATOM 0 HA ALA A 59 7.425 -7.141 -3.738 1.00 0.18 H new ATOM 0 HB1 ALA A 59 8.235 -4.851 -4.084 1.00 0.21 H new ATOM 0 HB2 ALA A 59 7.990 -5.684 -5.638 1.00 0.21 H new ATOM 0 HB3 ALA A 59 6.803 -4.484 -5.075 1.00 0.21 H new ATOM 859 N ILE A 60 4.835 -5.259 -3.053 1.00 0.17 N ATOM 860 CA ILE A 60 4.125 -4.519 -2.055 1.00 0.18 C ATOM 861 C ILE A 60 3.665 -5.433 -0.925 1.00 0.18 C ATOM 862 O ILE A 60 4.018 -5.154 0.214 1.00 0.22 O ATOM 863 CB ILE A 60 3.063 -3.628 -2.729 1.00 0.26 C ATOM 864 CG1 ILE A 60 3.710 -2.259 -3.008 1.00 0.32 C ATOM 865 CG2 ILE A 60 1.795 -3.480 -1.891 1.00 0.38 C ATOM 866 CD1 ILE A 60 2.971 -1.440 -4.067 1.00 0.69 C ATOM 0 H ILE A 60 4.367 -5.289 -3.959 1.00 0.17 H new ATOM 0 HA ILE A 60 4.774 -3.812 -1.539 1.00 0.18 H new ATOM 0 HB ILE A 60 2.741 -4.099 -3.658 1.00 0.26 H new ATOM 0 HG12 ILE A 60 3.748 -1.688 -2.080 1.00 0.32 H new ATOM 0 HG13 ILE A 60 4.740 -2.412 -3.331 1.00 0.32 H new ATOM 0 HG21 ILE A 60 1.084 -2.842 -2.416 1.00 0.38 H new ATOM 0 HG22 ILE A 60 1.350 -4.462 -1.728 1.00 0.38 H new ATOM 0 HG23 ILE A 60 2.044 -3.030 -0.930 1.00 0.38 H new ATOM 0 HD11 ILE A 60 3.482 -0.488 -4.213 1.00 0.69 H new ATOM 0 HD12 ILE A 60 2.955 -1.991 -5.007 1.00 0.69 H new ATOM 0 HD13 ILE A 60 1.949 -1.256 -3.737 1.00 0.69 H new ATOM 878 N GLN A 61 2.941 -6.527 -1.198 1.00 0.18 N ATOM 879 CA GLN A 61 2.553 -7.474 -0.149 1.00 0.20 C ATOM 880 C GLN A 61 3.769 -7.839 0.709 1.00 0.20 C ATOM 881 O GLN A 61 3.741 -7.734 1.933 1.00 0.23 O ATOM 882 CB GLN A 61 1.980 -8.767 -0.740 1.00 0.24 C ATOM 883 CG GLN A 61 0.458 -8.830 -0.901 1.00 0.27 C ATOM 884 CD GLN A 61 -0.073 -8.099 -2.122 1.00 0.36 C ATOM 885 OE1 GLN A 61 -0.628 -8.727 -3.013 1.00 0.74 O ATOM 886 NE2 GLN A 61 0.055 -6.777 -2.164 1.00 0.33 N ATOM 0 H GLN A 61 2.615 -6.776 -2.132 1.00 0.18 H new ATOM 0 HA GLN A 61 1.788 -6.987 0.456 1.00 0.20 H new ATOM 0 HB2 GLN A 61 2.433 -8.925 -1.719 1.00 0.24 H new ATOM 0 HB3 GLN A 61 2.291 -9.598 -0.107 1.00 0.24 H new ATOM 0 HG2 GLN A 61 0.153 -9.875 -0.957 1.00 0.27 H new ATOM 0 HG3 GLN A 61 -0.007 -8.410 -0.010 1.00 0.27 H new ATOM 0 HE21 GLN A 61 0.524 -6.286 -1.403 1.00 0.33 H new ATOM 0 HE22 GLN A 61 -0.316 -6.254 -2.957 1.00 0.33 H new ATOM 895 N GLU A 62 4.843 -8.251 0.038 1.00 0.19 N ATOM 896 CA GLU A 62 6.095 -8.668 0.647 1.00 0.18 C ATOM 897 C GLU A 62 6.589 -7.669 1.694 1.00 0.23 C ATOM 898 O GLU A 62 7.017 -8.047 2.791 1.00 0.40 O ATOM 899 CB GLU A 62 7.123 -8.855 -0.489 1.00 0.24 C ATOM 900 CG GLU A 62 7.804 -10.223 -0.486 1.00 0.52 C ATOM 901 CD GLU A 62 6.811 -11.380 -0.543 1.00 3.04 C ATOM 902 OE1 GLU A 62 5.782 -11.220 -1.236 1.00 4.73 O ATOM 903 OE2 GLU A 62 7.102 -12.395 0.122 1.00 3.74 O ATOM 0 H GLU A 62 4.861 -8.304 -0.980 1.00 0.19 H new ATOM 0 HA GLU A 62 5.949 -9.605 1.185 1.00 0.18 H new ATOM 0 HB2 GLU A 62 6.623 -8.711 -1.447 1.00 0.24 H new ATOM 0 HB3 GLU A 62 7.885 -8.080 -0.408 1.00 0.24 H new ATOM 0 HG2 GLU A 62 8.480 -10.289 -1.338 1.00 0.52 H new ATOM 0 HG3 GLU A 62 8.414 -10.318 0.413 1.00 0.52 H new ATOM 910 N LYS A 63 6.593 -6.382 1.345 1.00 0.19 N ATOM 911 CA LYS A 63 6.925 -5.345 2.297 1.00 0.19 C ATOM 912 C LYS A 63 5.813 -5.119 3.330 1.00 0.19 C ATOM 913 O LYS A 63 6.122 -4.984 4.512 1.00 0.22 O ATOM 914 CB LYS A 63 7.386 -4.092 1.545 1.00 0.21 C ATOM 915 CG LYS A 63 8.898 -3.881 1.723 1.00 0.28 C ATOM 916 CD LYS A 63 9.704 -5.019 1.060 1.00 0.37 C ATOM 917 CE LYS A 63 11.199 -4.968 1.411 1.00 1.14 C ATOM 918 NZ LYS A 63 11.893 -3.837 0.765 1.00 2.67 N ATOM 0 H LYS A 63 6.369 -6.043 0.410 1.00 0.19 H new ATOM 0 HA LYS A 63 7.767 -5.665 2.910 1.00 0.19 H new ATOM 0 HB2 LYS A 63 7.149 -4.189 0.486 1.00 0.21 H new ATOM 0 HB3 LYS A 63 6.846 -3.220 1.914 1.00 0.21 H new ATOM 0 HG2 LYS A 63 9.188 -2.925 1.287 1.00 0.28 H new ATOM 0 HG3 LYS A 63 9.138 -3.833 2.785 1.00 0.28 H new ATOM 0 HD2 LYS A 63 9.294 -5.979 1.373 1.00 0.37 H new ATOM 0 HD3 LYS A 63 9.587 -4.959 -0.022 1.00 0.37 H new ATOM 0 HE2 LYS A 63 11.313 -4.890 2.492 1.00 1.14 H new ATOM 0 HE3 LYS A 63 11.672 -5.902 1.107 1.00 1.14 H new ATOM 0 HZ1 LYS A 63 12.760 -4.179 0.304 1.00 2.67 H new ATOM 0 HZ2 LYS A 63 11.269 -3.408 0.053 1.00 2.67 H new ATOM 0 HZ3 LYS A 63 12.140 -3.126 1.482 1.00 2.67 H new ATOM 932 N ILE A 64 4.537 -5.091 2.930 1.00 0.19 N ATOM 933 CA ILE A 64 3.410 -4.888 3.833 1.00 0.20 C ATOM 934 C ILE A 64 3.488 -5.887 5.006 1.00 0.21 C ATOM 935 O ILE A 64 3.347 -5.504 6.170 1.00 0.24 O ATOM 936 CB ILE A 64 2.077 -5.034 3.078 1.00 0.22 C ATOM 937 CG1 ILE A 64 1.772 -3.900 2.094 1.00 0.27 C ATOM 938 CG2 ILE A 64 0.920 -5.138 4.063 1.00 0.25 C ATOM 939 CD1 ILE A 64 1.292 -2.607 2.753 1.00 0.45 C ATOM 0 H ILE A 64 4.259 -5.211 1.956 1.00 0.19 H new ATOM 0 HA ILE A 64 3.459 -3.876 4.234 1.00 0.20 H new ATOM 0 HB ILE A 64 2.187 -5.945 2.490 1.00 0.22 H new ATOM 0 HG12 ILE A 64 2.670 -3.687 1.514 1.00 0.27 H new ATOM 0 HG13 ILE A 64 1.012 -4.240 1.391 1.00 0.27 H new ATOM 0 HG21 ILE A 64 -0.016 -5.241 3.515 1.00 0.25 H new ATOM 0 HG22 ILE A 64 1.064 -6.009 4.702 1.00 0.25 H new ATOM 0 HG23 ILE A 64 0.884 -4.239 4.678 1.00 0.25 H new ATOM 0 HD11 ILE A 64 1.099 -1.857 1.986 1.00 0.45 H new ATOM 0 HD12 ILE A 64 0.375 -2.801 3.310 1.00 0.45 H new ATOM 0 HD13 ILE A 64 2.059 -2.239 3.435 1.00 0.45 H new ATOM 951 N GLU A 65 3.770 -7.160 4.705 1.00 0.22 N ATOM 952 CA GLU A 65 4.017 -8.180 5.720 1.00 0.25 C ATOM 953 C GLU A 65 5.032 -7.681 6.754 1.00 0.27 C ATOM 954 O GLU A 65 4.838 -7.822 7.958 1.00 0.31 O ATOM 955 CB GLU A 65 4.488 -9.461 5.021 1.00 0.28 C ATOM 956 CG GLU A 65 3.296 -10.316 4.568 1.00 0.33 C ATOM 957 CD GLU A 65 2.780 -11.207 5.695 1.00 0.46 C ATOM 958 OE1 GLU A 65 3.602 -11.999 6.204 1.00 1.58 O ATOM 959 OE2 GLU A 65 1.581 -11.080 6.024 1.00 1.43 O ATOM 0 H GLU A 65 3.832 -7.508 3.748 1.00 0.22 H new ATOM 0 HA GLU A 65 3.099 -8.397 6.266 1.00 0.25 H new ATOM 0 HB2 GLU A 65 5.103 -9.203 4.159 1.00 0.28 H new ATOM 0 HB3 GLU A 65 5.116 -10.038 5.699 1.00 0.28 H new ATOM 0 HG2 GLU A 65 2.493 -9.666 4.221 1.00 0.33 H new ATOM 0 HG3 GLU A 65 3.593 -10.935 3.721 1.00 0.33 H new ATOM 966 N LYS A 66 6.111 -7.053 6.285 1.00 0.29 N ATOM 967 CA LYS A 66 7.166 -6.520 7.129 1.00 0.35 C ATOM 968 C LYS A 66 6.697 -5.302 7.922 1.00 0.33 C ATOM 969 O LYS A 66 7.076 -5.147 9.080 1.00 0.38 O ATOM 970 CB LYS A 66 8.370 -6.158 6.254 1.00 0.49 C ATOM 971 CG LYS A 66 9.703 -6.467 6.951 1.00 0.71 C ATOM 972 CD LYS A 66 10.029 -7.968 7.078 1.00 1.20 C ATOM 973 CE LYS A 66 10.628 -8.615 5.817 1.00 1.89 C ATOM 974 NZ LYS A 66 9.665 -8.757 4.700 1.00 3.69 N ATOM 0 H LYS A 66 6.273 -6.901 5.290 1.00 0.29 H new ATOM 0 HA LYS A 66 7.449 -7.283 7.854 1.00 0.35 H new ATOM 0 HB2 LYS A 66 8.315 -6.710 5.316 1.00 0.49 H new ATOM 0 HB3 LYS A 66 8.330 -5.098 6.003 1.00 0.49 H new ATOM 0 HG2 LYS A 66 10.507 -5.980 6.400 1.00 0.71 H new ATOM 0 HG3 LYS A 66 9.687 -6.027 7.948 1.00 0.71 H new ATOM 0 HD2 LYS A 66 10.727 -8.104 7.904 1.00 1.20 H new ATOM 0 HD3 LYS A 66 9.116 -8.501 7.342 1.00 1.20 H new ATOM 0 HE2 LYS A 66 11.474 -8.016 5.480 1.00 1.89 H new ATOM 0 HE3 LYS A 66 11.017 -9.600 6.076 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 9.927 -9.578 4.118 1.00 3.69 H new ATOM 0 HZ2 LYS A 66 8.708 -8.896 5.082 1.00 3.69 H new ATOM 0 HZ3 LYS A 66 9.683 -7.897 4.115 1.00 3.69 H new ATOM 988 N LEU A 67 5.886 -4.437 7.304 1.00 0.29 N ATOM 989 CA LEU A 67 5.212 -3.361 8.016 1.00 0.31 C ATOM 990 C LEU A 67 4.407 -3.917 9.202 1.00 0.28 C ATOM 991 O LEU A 67 4.199 -3.202 10.178 1.00 0.29 O ATOM 992 CB LEU A 67 4.334 -2.553 7.045 1.00 0.30 C ATOM 993 CG LEU A 67 5.055 -1.453 6.251 1.00 0.38 C ATOM 994 CD1 LEU A 67 5.595 -0.348 7.166 1.00 0.97 C ATOM 995 CD2 LEU A 67 6.151 -1.944 5.306 1.00 0.56 C ATOM 0 H LEU A 67 5.683 -4.467 6.305 1.00 0.29 H new ATOM 0 HA LEU A 67 5.958 -2.681 8.428 1.00 0.31 H new ATOM 0 HB2 LEU A 67 3.876 -3.244 6.338 1.00 0.30 H new ATOM 0 HB3 LEU A 67 3.524 -2.094 7.613 1.00 0.30 H new ATOM 0 HG LEU A 67 4.276 -1.042 5.608 1.00 0.38 H new ATOM 0 HD11 LEU A 67 6.097 0.409 6.564 1.00 0.97 H new ATOM 0 HD12 LEU A 67 4.769 0.110 7.710 1.00 0.97 H new ATOM 0 HD13 LEU A 67 6.303 -0.777 7.875 1.00 0.97 H new ATOM 0 HD21 LEU A 67 6.598 -1.092 4.793 1.00 0.56 H new ATOM 0 HD22 LEU A 67 6.918 -2.466 5.878 1.00 0.56 H new ATOM 0 HD23 LEU A 67 5.720 -2.624 4.571 1.00 0.56 H new ATOM 1007 N GLY A 68 3.986 -5.187 9.134 1.00 0.27 N ATOM 1008 CA GLY A 68 3.405 -5.925 10.250 1.00 0.24 C ATOM 1009 C GLY A 68 1.908 -6.132 10.056 1.00 0.28 C ATOM 1010 O GLY A 68 1.166 -6.258 11.027 1.00 0.40 O ATOM 0 H GLY A 68 4.044 -5.738 8.278 1.00 0.27 H new ATOM 0 HA2 GLY A 68 3.899 -6.892 10.346 1.00 0.24 H new ATOM 0 HA3 GLY A 68 3.582 -5.383 11.179 1.00 0.24 H new ATOM 1014 N TYR A 69 1.460 -6.136 8.800 1.00 0.27 N ATOM 1015 CA TYR A 69 0.055 -6.204 8.429 1.00 0.33 C ATOM 1016 C TYR A 69 -0.019 -7.001 7.161 1.00 0.27 C ATOM 1017 O TYR A 69 0.993 -7.232 6.510 1.00 0.25 O ATOM 1018 CB TYR A 69 -0.491 -4.788 8.230 1.00 0.38 C ATOM 1019 CG TYR A 69 -0.243 -3.872 9.410 1.00 0.45 C ATOM 1020 CD1 TYR A 69 0.954 -3.143 9.482 1.00 1.83 C ATOM 1021 CD2 TYR A 69 -1.179 -3.767 10.452 1.00 2.12 C ATOM 1022 CE1 TYR A 69 1.146 -2.200 10.502 1.00 1.82 C ATOM 1023 CE2 TYR A 69 -1.006 -2.799 11.454 1.00 2.16 C ATOM 1024 CZ TYR A 69 0.141 -1.990 11.462 1.00 0.58 C ATOM 1025 OH TYR A 69 0.229 -0.940 12.327 1.00 0.64 O ATOM 0 H TYR A 69 2.085 -6.091 7.995 1.00 0.27 H new ATOM 0 HA TYR A 69 -0.547 -6.678 9.204 1.00 0.33 H new ATOM 0 HB2 TYR A 69 -0.035 -4.353 7.341 1.00 0.38 H new ATOM 0 HB3 TYR A 69 -1.563 -4.844 8.043 1.00 0.38 H new ATOM 0 HD1 TYR A 69 1.730 -3.309 8.749 1.00 1.83 H new ATOM 0 HD2 TYR A 69 -2.031 -4.430 10.482 1.00 2.12 H new ATOM 0 HE1 TYR A 69 2.065 -1.635 10.550 1.00 1.82 H new ATOM 0 HE2 TYR A 69 -1.757 -2.677 12.220 1.00 2.16 H new ATOM 0 HH TYR A 69 -0.590 -0.404 12.276 1.00 0.64 H new ATOM 1035 N HIS A 70 -1.228 -7.434 6.841 1.00 0.39 N ATOM 1036 CA HIS A 70 -1.493 -8.209 5.671 1.00 0.41 C ATOM 1037 C HIS A 70 -2.468 -7.344 4.876 1.00 0.36 C ATOM 1038 O HIS A 70 -3.452 -6.846 5.434 1.00 0.39 O ATOM 1039 CB HIS A 70 -1.902 -9.633 6.117 1.00 0.61 C ATOM 1040 CG HIS A 70 -3.356 -10.034 6.168 1.00 1.27 C ATOM 1041 ND1 HIS A 70 -4.289 -9.737 5.221 1.00 2.68 N flip ATOM 1042 CD2 HIS A 70 -3.878 -11.059 6.928 1.00 2.38 C flip ATOM 1043 CE1 HIS A 70 -5.405 -10.552 5.412 1.00 3.19 C flip ATOM 1044 NE2 HIS A 70 -5.106 -11.340 6.454 1.00 3.05 N flip ATOM 0 H HIS A 70 -2.057 -7.246 7.405 1.00 0.39 H new ATOM 0 HA HIS A 70 -0.666 -8.427 4.995 1.00 0.41 H new ATOM 0 HB2 HIS A 70 -1.398 -10.335 5.452 1.00 0.61 H new ATOM 0 HB3 HIS A 70 -1.491 -9.788 7.115 1.00 0.61 H new ATOM 0 HD2 HIS A 70 -3.389 -11.549 7.756 1.00 2.38 H new ATOM 0 HE1 HIS A 70 -6.320 -10.549 4.839 1.00 3.19 H new ATOM 0 HE2 HIS A 70 -5.725 -12.055 6.836 1.00 3.05 H new ATOM 1052 N VAL A 71 -2.162 -7.126 3.598 1.00 0.33 N ATOM 1053 CA VAL A 71 -3.066 -6.473 2.654 1.00 0.29 C ATOM 1054 C VAL A 71 -3.800 -7.543 1.841 1.00 0.34 C ATOM 1055 O VAL A 71 -3.187 -8.542 1.467 1.00 0.53 O ATOM 1056 CB VAL A 71 -2.297 -5.463 1.788 1.00 0.29 C ATOM 1057 CG1 VAL A 71 -1.255 -6.115 0.875 1.00 0.45 C ATOM 1058 CG2 VAL A 71 -3.226 -4.605 0.934 1.00 0.35 C ATOM 0 H VAL A 71 -1.271 -7.401 3.185 1.00 0.33 H new ATOM 0 HA VAL A 71 -3.823 -5.895 3.184 1.00 0.29 H new ATOM 0 HB VAL A 71 -1.776 -4.831 2.507 1.00 0.29 H new ATOM 0 HG11 VAL A 71 -0.749 -5.345 0.292 1.00 0.45 H new ATOM 0 HG12 VAL A 71 -0.524 -6.650 1.481 1.00 0.45 H new ATOM 0 HG13 VAL A 71 -1.749 -6.815 0.201 1.00 0.45 H new ATOM 0 HG21 VAL A 71 -2.634 -3.908 0.341 1.00 0.35 H new ATOM 0 HG22 VAL A 71 -3.805 -5.246 0.270 1.00 0.35 H new ATOM 0 HG23 VAL A 71 -3.903 -4.047 1.581 1.00 0.35 H new ATOM 1068 N VAL A 72 -5.100 -7.357 1.591 1.00 0.33 N ATOM 1069 CA VAL A 72 -5.878 -8.268 0.756 1.00 0.40 C ATOM 1070 C VAL A 72 -5.891 -7.748 -0.676 1.00 0.60 C ATOM 1071 O VAL A 72 -5.604 -6.578 -0.904 1.00 1.12 O ATOM 1072 CB VAL A 72 -7.312 -8.436 1.282 1.00 0.49 C ATOM 1073 CG1 VAL A 72 -7.332 -8.604 2.799 1.00 1.15 C ATOM 1074 CG2 VAL A 72 -8.245 -7.289 0.885 1.00 1.37 C ATOM 0 H VAL A 72 -5.638 -6.573 1.961 1.00 0.33 H new ATOM 0 HA VAL A 72 -5.408 -9.251 0.786 1.00 0.40 H new ATOM 0 HB VAL A 72 -7.688 -9.342 0.807 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -8.361 -8.720 3.139 1.00 1.15 H new ATOM 0 HG12 VAL A 72 -6.757 -9.488 3.075 1.00 1.15 H new ATOM 0 HG13 VAL A 72 -6.892 -7.724 3.268 1.00 1.15 H new ATOM 0 HG21 VAL A 72 -9.240 -7.473 1.290 1.00 1.37 H new ATOM 0 HG22 VAL A 72 -7.859 -6.351 1.284 1.00 1.37 H new ATOM 0 HG23 VAL A 72 -8.301 -7.225 -0.202 1.00 1.37 H new ATOM 1084 N ILE A 73 -6.266 -8.598 -1.630 1.00 0.53 N ATOM 1085 CA ILE A 73 -6.430 -8.221 -3.028 1.00 0.57 C ATOM 1086 C ILE A 73 -7.813 -8.683 -3.483 1.00 0.58 C ATOM 1087 O ILE A 73 -7.954 -9.688 -4.176 1.00 0.85 O ATOM 1088 CB ILE A 73 -5.286 -8.818 -3.870 1.00 0.90 C ATOM 1089 CG1 ILE A 73 -3.901 -8.443 -3.313 1.00 1.16 C ATOM 1090 CG2 ILE A 73 -5.396 -8.384 -5.340 1.00 1.02 C ATOM 1091 CD1 ILE A 73 -3.543 -6.960 -3.481 1.00 0.77 C ATOM 0 H ILE A 73 -6.467 -9.581 -1.448 1.00 0.53 H new ATOM 0 HA ILE A 73 -6.373 -7.140 -3.159 1.00 0.57 H new ATOM 0 HB ILE A 73 -5.388 -9.902 -3.813 1.00 0.90 H new ATOM 0 HG12 ILE A 73 -3.865 -8.697 -2.254 1.00 1.16 H new ATOM 0 HG13 ILE A 73 -3.144 -9.048 -3.812 1.00 1.16 H new ATOM 0 HG21 ILE A 73 -4.576 -8.820 -5.910 1.00 1.02 H new ATOM 0 HG22 ILE A 73 -6.346 -8.727 -5.750 1.00 1.02 H new ATOM 0 HG23 ILE A 73 -5.344 -7.297 -5.403 1.00 1.02 H new ATOM 0 HD11 ILE A 73 -2.553 -6.775 -3.064 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.544 -6.703 -4.540 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.277 -6.347 -2.958 1.00 0.77 H new ATOM 1103 N GLU A 74 -8.835 -7.925 -3.081 1.00 0.74 N ATOM 1104 CA GLU A 74 -10.214 -8.104 -3.496 1.00 1.08 C ATOM 1105 C GLU A 74 -10.745 -6.756 -3.976 1.00 1.51 C ATOM 1106 O GLU A 74 -10.321 -5.706 -3.488 1.00 1.95 O ATOM 1107 CB GLU A 74 -11.037 -8.680 -2.337 1.00 1.69 C ATOM 1108 CG GLU A 74 -10.877 -10.205 -2.292 1.00 2.73 C ATOM 1109 CD GLU A 74 -11.334 -10.778 -0.959 1.00 3.84 C ATOM 1110 OE1 GLU A 74 -12.552 -10.696 -0.700 1.00 4.11 O ATOM 1111 OE2 GLU A 74 -10.453 -11.287 -0.233 1.00 4.99 O ATOM 0 H GLU A 74 -8.713 -7.145 -2.435 1.00 0.74 H new ATOM 0 HA GLU A 74 -10.288 -8.817 -4.317 1.00 1.08 H new ATOM 0 HB2 GLU A 74 -10.709 -8.243 -1.394 1.00 1.69 H new ATOM 0 HB3 GLU A 74 -12.088 -8.419 -2.461 1.00 1.69 H new ATOM 0 HG2 GLU A 74 -11.454 -10.656 -3.099 1.00 2.73 H new ATOM 0 HG3 GLU A 74 -9.833 -10.467 -2.462 1.00 2.73 H new ATOM 1118 N GLY A 75 -11.635 -6.822 -4.968 1.00 2.09 N ATOM 1119 CA GLY A 75 -12.257 -5.699 -5.648 1.00 2.85 C ATOM 1120 C GLY A 75 -13.190 -6.269 -6.714 1.00 3.44 C ATOM 1121 O GLY A 75 -14.405 -6.253 -6.541 1.00 4.69 O ATOM 0 H GLY A 75 -11.956 -7.718 -5.335 1.00 2.09 H new ATOM 0 HA2 GLY A 75 -12.813 -5.083 -4.941 1.00 2.85 H new ATOM 0 HA3 GLY A 75 -11.501 -5.059 -6.103 1.00 2.85 H new ATOM 1125 N ARG A 76 -12.589 -6.860 -7.755 1.00 3.28 N ATOM 1126 CA ARG A 76 -13.275 -7.500 -8.875 1.00 4.52 C ATOM 1127 C ARG A 76 -14.042 -6.465 -9.706 1.00 5.70 C ATOM 1128 O ARG A 76 -13.585 -5.301 -9.719 1.00 5.97 O ATOM 1129 CB ARG A 76 -14.145 -8.670 -8.379 1.00 6.07 C ATOM 1130 CG ARG A 76 -14.582 -9.623 -9.506 1.00 7.05 C ATOM 1131 CD ARG A 76 -14.243 -11.079 -9.164 1.00 8.26 C ATOM 1132 NE ARG A 76 -12.784 -11.282 -9.167 1.00 8.31 N ATOM 1133 CZ ARG A 76 -12.131 -12.307 -8.596 1.00 9.57 C ATOM 1134 NH1 ARG A 76 -12.813 -13.263 -7.956 1.00 10.81 N ATOM 1135 NH2 ARG A 76 -10.797 -12.371 -8.672 1.00 9.98 N ATOM 1136 OXT ARG A 76 -15.039 -6.865 -10.345 1.00 6.93 O ATOM 0 H ARG A 76 -11.573 -6.905 -7.839 1.00 3.28 H new ATOM 0 HA ARG A 76 -12.539 -7.937 -9.550 1.00 4.52 H new ATOM 0 HB2 ARG A 76 -13.590 -9.235 -7.630 1.00 6.07 H new ATOM 0 HB3 ARG A 76 -15.031 -8.271 -7.886 1.00 6.07 H new ATOM 0 HG2 ARG A 76 -15.655 -9.526 -9.672 1.00 7.05 H new ATOM 0 HG3 ARG A 76 -14.089 -9.341 -10.436 1.00 7.05 H new ATOM 0 HD2 ARG A 76 -14.650 -11.333 -8.185 1.00 8.26 H new ATOM 0 HD3 ARG A 76 -14.711 -11.747 -9.887 1.00 8.26 H new ATOM 0 HE ARG A 76 -12.219 -10.581 -9.646 1.00 8.31 H new ATOM 0 HH11 ARG A 76 -13.830 -13.214 -7.901 1.00 10.81 H new ATOM 0 HH12 ARG A 76 -12.316 -14.041 -7.523 1.00 10.81 H new ATOM 0 HH21 ARG A 76 -10.279 -11.642 -9.163 1.00 9.98 H new ATOM 0 HH22 ARG A 76 -10.298 -13.148 -8.239 1.00 9.98 H new TER 1150 ARG A 76