USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 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 57 THR OG1 : rot 180:sc= 0.384 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.101 K(o=0.49,f=2.1) USER MOD Set 2.1: A 5 GLN : amide:sc= -2.47 K(o=-2.5,f=2.3) USER MOD Set 2.2: A 35 THR OG1 : rot 54:sc= -0.0731 USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.431 USER MOD Set 3.2: A 20 CYS SG : rot 165:sc= 0.465 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.235 (180deg=-0.222) USER MOD Single : A 3 SER OG : rot 180:sc= 0.132 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 162:sc= -0.06 (180deg=-0.351) USER MOD Single : A 11 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.0057) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 174:sc= 0 (180deg=-0.0691) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.153 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -0.879 (180deg=-3.65!) USER MOD Single : A 31 MET CE :methyl -162:sc= 0 (180deg=-0.468) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 40 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc= 0.848 K(o=0.85,f=-2.3!) USER MOD Single : A 50 TYR OH : rot 161:sc= 0.0702 USER MOD Single : A 55 THR OG1 : rot -169:sc= -0.515 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 0.973 (180deg=-0.518!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.547 -0.717 -23.828 1.00 5.91 N ATOM 2 CA MET A 1 9.295 -0.028 -24.180 1.00 4.44 C ATOM 3 C MET A 1 9.014 0.992 -23.085 1.00 3.77 C ATOM 4 O MET A 1 9.644 0.886 -22.036 1.00 4.60 O ATOM 5 CB MET A 1 8.142 -1.030 -24.346 1.00 4.85 C ATOM 6 CG MET A 1 7.746 -1.750 -23.046 1.00 6.58 C ATOM 7 SD MET A 1 7.315 -3.493 -23.272 1.00 8.24 S ATOM 8 CE MET A 1 6.958 -3.961 -21.565 1.00 10.05 C ATOM 0 H1 MET A 1 11.338 -0.288 -24.350 1.00 5.91 H new ATOM 0 H2 MET A 1 10.717 -0.627 -22.806 1.00 5.91 H new ATOM 0 H3 MET A 1 10.472 -1.723 -24.079 1.00 5.91 H new ATOM 0 HA MET A 1 9.390 0.480 -25.140 1.00 4.44 H new ATOM 0 HB2 MET A 1 7.271 -0.504 -24.738 1.00 4.85 H new ATOM 0 HB3 MET A 1 8.426 -1.775 -25.090 1.00 4.85 H new ATOM 0 HG2 MET A 1 8.571 -1.679 -22.338 1.00 6.58 H new ATOM 0 HG3 MET A 1 6.898 -1.231 -22.599 1.00 6.58 H new ATOM 0 HE1 MET A 1 6.674 -5.013 -21.528 1.00 10.05 H new ATOM 0 HE2 MET A 1 7.845 -3.802 -20.951 1.00 10.05 H new ATOM 0 HE3 MET A 1 6.139 -3.351 -21.184 1.00 10.05 H new ATOM 20 N LEU A 2 8.115 1.950 -23.319 1.00 3.19 N ATOM 21 CA LEU A 2 7.701 2.876 -22.274 1.00 3.25 C ATOM 22 C LEU A 2 7.042 2.115 -21.121 1.00 2.43 C ATOM 23 O LEU A 2 6.385 1.100 -21.345 1.00 2.43 O ATOM 24 CB LEU A 2 6.799 3.987 -22.840 1.00 4.17 C ATOM 25 CG LEU A 2 5.348 3.592 -23.180 1.00 4.47 C ATOM 26 CD1 LEU A 2 4.588 4.850 -23.616 1.00 5.80 C ATOM 27 CD2 LEU A 2 5.242 2.545 -24.296 1.00 4.83 C ATOM 0 H LEU A 2 7.664 2.101 -24.221 1.00 3.19 H new ATOM 0 HA LEU A 2 8.585 3.372 -21.873 1.00 3.25 H new ATOM 0 HB2 LEU A 2 6.770 4.803 -22.118 1.00 4.17 H new ATOM 0 HB3 LEU A 2 7.266 4.378 -23.744 1.00 4.17 H new ATOM 0 HG LEU A 2 4.921 3.145 -22.282 1.00 4.47 H new ATOM 0 HD11 LEU A 2 3.559 4.587 -23.860 1.00 5.80 H new ATOM 0 HD12 LEU A 2 4.594 5.578 -22.805 1.00 5.80 H new ATOM 0 HD13 LEU A 2 5.070 5.281 -24.493 1.00 5.80 H new ATOM 0 HD21 LEU A 2 4.193 2.316 -24.481 1.00 4.83 H new ATOM 0 HD22 LEU A 2 5.694 2.937 -25.207 1.00 4.83 H new ATOM 0 HD23 LEU A 2 5.764 1.637 -23.994 1.00 4.83 H new ATOM 39 N SER A 3 7.243 2.591 -19.894 1.00 2.41 N ATOM 40 CA SER A 3 6.587 2.096 -18.702 1.00 1.80 C ATOM 41 C SER A 3 5.275 2.864 -18.510 1.00 1.38 C ATOM 42 O SER A 3 5.218 4.061 -18.792 1.00 1.70 O ATOM 43 CB SER A 3 7.549 2.315 -17.531 1.00 2.21 C ATOM 44 OG SER A 3 8.322 3.489 -17.723 1.00 3.27 O ATOM 0 H SER A 3 7.889 3.357 -19.704 1.00 2.41 H new ATOM 0 HA SER A 3 6.345 1.036 -18.774 1.00 1.80 H new ATOM 0 HB2 SER A 3 6.985 2.394 -16.602 1.00 2.21 H new ATOM 0 HB3 SER A 3 8.209 1.453 -17.431 1.00 2.21 H new ATOM 0 HG SER A 3 8.928 3.610 -16.962 1.00 3.27 H new ATOM 50 N GLU A 4 4.221 2.177 -18.056 1.00 0.88 N ATOM 51 CA GLU A 4 2.897 2.742 -17.871 1.00 0.67 C ATOM 52 C GLU A 4 2.418 2.445 -16.458 1.00 0.54 C ATOM 53 O GLU A 4 2.044 1.314 -16.144 1.00 0.86 O ATOM 54 CB GLU A 4 1.940 2.158 -18.907 1.00 1.22 C ATOM 55 CG GLU A 4 2.427 2.486 -20.322 1.00 2.09 C ATOM 56 CD GLU A 4 1.328 2.316 -21.362 1.00 2.45 C ATOM 57 OE1 GLU A 4 0.522 1.376 -21.191 1.00 3.07 O ATOM 58 OE2 GLU A 4 1.308 3.138 -22.304 1.00 3.30 O ATOM 0 H GLU A 4 4.275 1.190 -17.804 1.00 0.88 H new ATOM 0 HA GLU A 4 2.930 3.823 -18.008 1.00 0.67 H new ATOM 0 HB2 GLU A 4 1.870 1.078 -18.780 1.00 1.22 H new ATOM 0 HB3 GLU A 4 0.939 2.562 -18.756 1.00 1.22 H new ATOM 0 HG2 GLU A 4 2.795 3.512 -20.349 1.00 2.09 H new ATOM 0 HG3 GLU A 4 3.267 1.839 -20.574 1.00 2.09 H new ATOM 65 N GLN A 5 2.422 3.472 -15.612 1.00 0.35 N ATOM 66 CA GLN A 5 2.088 3.330 -14.210 1.00 0.25 C ATOM 67 C GLN A 5 0.581 3.361 -13.993 1.00 0.23 C ATOM 68 O GLN A 5 -0.165 3.853 -14.839 1.00 0.31 O ATOM 69 CB GLN A 5 2.804 4.408 -13.397 1.00 0.22 C ATOM 70 CG GLN A 5 2.348 5.844 -13.701 1.00 0.26 C ATOM 71 CD GLN A 5 3.190 6.856 -12.931 1.00 0.38 C ATOM 72 OE1 GLN A 5 3.546 7.909 -13.449 1.00 0.83 O ATOM 73 NE2 GLN A 5 3.521 6.535 -11.685 1.00 0.39 N ATOM 0 H GLN A 5 2.658 4.425 -15.887 1.00 0.35 H new ATOM 0 HA GLN A 5 2.432 2.356 -13.863 1.00 0.25 H new ATOM 0 HB2 GLN A 5 2.650 4.208 -12.337 1.00 0.22 H new ATOM 0 HB3 GLN A 5 3.875 4.334 -13.583 1.00 0.22 H new ATOM 0 HG2 GLN A 5 2.428 6.037 -14.771 1.00 0.26 H new ATOM 0 HG3 GLN A 5 1.298 5.961 -13.434 1.00 0.26 H new ATOM 0 HE21 GLN A 5 3.207 5.650 -11.286 1.00 0.39 H new ATOM 0 HE22 GLN A 5 4.089 7.173 -11.128 1.00 0.39 H new ATOM 82 N LYS A 6 0.132 2.843 -12.848 1.00 0.21 N ATOM 83 CA LYS A 6 -1.278 2.783 -12.503 1.00 0.24 C ATOM 84 C LYS A 6 -1.426 2.888 -10.993 1.00 0.21 C ATOM 85 O LYS A 6 -0.488 2.603 -10.245 1.00 0.22 O ATOM 86 CB LYS A 6 -1.903 1.473 -13.019 1.00 0.31 C ATOM 87 CG LYS A 6 -2.683 1.649 -14.328 1.00 0.57 C ATOM 88 CD LYS A 6 -4.104 2.175 -14.063 1.00 1.40 C ATOM 89 CE LYS A 6 -4.877 2.335 -15.380 1.00 1.84 C ATOM 90 NZ LYS A 6 -6.290 2.706 -15.150 1.00 2.73 N ATOM 0 H LYS A 6 0.746 2.452 -12.133 1.00 0.21 H new ATOM 0 HA LYS A 6 -1.803 3.614 -12.975 1.00 0.24 H new ATOM 0 HB2 LYS A 6 -1.114 0.737 -13.170 1.00 0.31 H new ATOM 0 HB3 LYS A 6 -2.571 1.072 -12.257 1.00 0.31 H new ATOM 0 HG2 LYS A 6 -2.152 2.342 -14.980 1.00 0.57 H new ATOM 0 HG3 LYS A 6 -2.738 0.695 -14.853 1.00 0.57 H new ATOM 0 HD2 LYS A 6 -4.635 1.487 -13.405 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -4.052 3.134 -13.547 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -4.397 3.098 -15.992 1.00 1.84 H new ATOM 0 HE3 LYS A 6 -4.834 1.402 -15.942 1.00 1.84 H new ATOM 0 HZ1 LYS A 6 -6.776 2.804 -16.064 1.00 2.73 H new ATOM 0 HZ2 LYS A 6 -6.756 1.966 -14.587 1.00 2.73 H new ATOM 0 HZ3 LYS A 6 -6.333 3.609 -14.637 1.00 2.73 H new ATOM 104 N GLU A 7 -2.627 3.291 -10.578 1.00 0.23 N ATOM 105 CA GLU A 7 -3.065 3.234 -9.203 1.00 0.29 C ATOM 106 C GLU A 7 -3.760 1.906 -8.946 1.00 0.31 C ATOM 107 O GLU A 7 -4.480 1.407 -9.813 1.00 0.54 O ATOM 108 CB GLU A 7 -3.939 4.440 -8.865 1.00 0.55 C ATOM 109 CG GLU A 7 -5.155 4.695 -9.759 1.00 0.80 C ATOM 110 CD GLU A 7 -5.901 5.929 -9.261 1.00 1.64 C ATOM 111 OE1 GLU A 7 -5.616 6.346 -8.112 1.00 2.89 O ATOM 112 OE2 GLU A 7 -6.726 6.434 -10.052 1.00 2.21 O ATOM 0 H GLU A 7 -3.330 3.673 -11.210 1.00 0.23 H new ATOM 0 HA GLU A 7 -2.204 3.286 -8.537 1.00 0.29 H new ATOM 0 HB2 GLU A 7 -4.291 4.325 -7.840 1.00 0.55 H new ATOM 0 HB3 GLU A 7 -3.310 5.330 -8.888 1.00 0.55 H new ATOM 0 HG2 GLU A 7 -4.837 4.841 -10.791 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -5.816 3.828 -9.749 1.00 0.80 H new ATOM 119 N ILE A 8 -3.523 1.329 -7.768 1.00 0.25 N ATOM 120 CA ILE A 8 -4.232 0.179 -7.266 1.00 0.25 C ATOM 121 C ILE A 8 -4.881 0.639 -5.967 1.00 0.26 C ATOM 122 O ILE A 8 -4.242 1.358 -5.197 1.00 0.49 O ATOM 123 CB ILE A 8 -3.233 -0.980 -7.106 1.00 0.30 C ATOM 124 CG1 ILE A 8 -3.921 -2.349 -7.026 1.00 0.53 C ATOM 125 CG2 ILE A 8 -2.235 -0.779 -5.961 1.00 0.63 C ATOM 126 CD1 ILE A 8 -4.313 -2.704 -5.597 1.00 3.19 C ATOM 0 H ILE A 8 -2.807 1.669 -7.126 1.00 0.25 H new ATOM 0 HA ILE A 8 -5.011 -0.198 -7.929 1.00 0.25 H new ATOM 0 HB ILE A 8 -2.644 -0.970 -8.023 1.00 0.30 H new ATOM 0 HG12 ILE A 8 -4.810 -2.346 -7.656 1.00 0.53 H new ATOM 0 HG13 ILE A 8 -3.253 -3.115 -7.420 1.00 0.53 H new ATOM 0 HG21 ILE A 8 -1.563 -1.636 -5.909 1.00 0.63 H new ATOM 0 HG22 ILE A 8 -1.655 0.127 -6.139 1.00 0.63 H new ATOM 0 HG23 ILE A 8 -2.776 -0.685 -5.019 1.00 0.63 H new ATOM 0 HD11 ILE A 8 -4.797 -3.681 -5.584 1.00 3.19 H new ATOM 0 HD12 ILE A 8 -3.421 -2.733 -4.972 1.00 3.19 H new ATOM 0 HD13 ILE A 8 -5.002 -1.953 -5.211 1.00 3.19 H new ATOM 138 N ALA A 9 -6.133 0.235 -5.750 1.00 0.32 N ATOM 139 CA ALA A 9 -6.912 0.507 -4.549 1.00 0.36 C ATOM 140 C ALA A 9 -7.304 -0.829 -3.928 1.00 0.32 C ATOM 141 O ALA A 9 -7.866 -1.668 -4.630 1.00 0.38 O ATOM 142 CB ALA A 9 -8.157 1.320 -4.911 1.00 0.43 C ATOM 0 H ALA A 9 -6.650 -0.313 -6.437 1.00 0.32 H new ATOM 0 HA ALA A 9 -6.327 1.087 -3.836 1.00 0.36 H new ATOM 0 HB1 ALA A 9 -8.736 1.520 -4.009 1.00 0.43 H new ATOM 0 HB2 ALA A 9 -7.856 2.264 -5.366 1.00 0.43 H new ATOM 0 HB3 ALA A 9 -8.768 0.756 -5.616 1.00 0.43 H new ATOM 148 N MET A 10 -6.994 -1.052 -2.647 1.00 0.28 N ATOM 149 CA MET A 10 -7.237 -2.338 -2.003 1.00 0.28 C ATOM 150 C MET A 10 -7.391 -2.164 -0.482 1.00 0.28 C ATOM 151 O MET A 10 -7.047 -1.111 0.054 1.00 0.30 O ATOM 152 CB MET A 10 -6.106 -3.303 -2.368 1.00 0.35 C ATOM 153 CG MET A 10 -4.766 -2.764 -1.873 1.00 0.40 C ATOM 154 SD MET A 10 -3.293 -3.715 -2.324 1.00 1.19 S ATOM 155 CE MET A 10 -2.006 -2.497 -1.971 1.00 0.84 C ATOM 0 H MET A 10 -6.572 -0.352 -2.037 1.00 0.28 H new ATOM 0 HA MET A 10 -8.175 -2.762 -2.362 1.00 0.28 H new ATOM 0 HB2 MET A 10 -6.297 -4.281 -1.927 1.00 0.35 H new ATOM 0 HB3 MET A 10 -6.073 -3.442 -3.449 1.00 0.35 H new ATOM 0 HG2 MET A 10 -4.646 -1.749 -2.253 1.00 0.40 H new ATOM 0 HG3 MET A 10 -4.807 -2.695 -0.786 1.00 0.40 H new ATOM 0 HE1 MET A 10 -1.043 -3.000 -1.884 1.00 0.84 H new ATOM 0 HE2 MET A 10 -1.963 -1.768 -2.780 1.00 0.84 H new ATOM 0 HE3 MET A 10 -2.235 -1.987 -1.035 1.00 0.84 H new ATOM 165 N GLN A 11 -7.923 -3.184 0.205 1.00 0.30 N ATOM 166 CA GLN A 11 -8.269 -3.124 1.621 1.00 0.28 C ATOM 167 C GLN A 11 -7.132 -3.711 2.450 1.00 0.28 C ATOM 168 O GLN A 11 -6.404 -4.579 1.966 1.00 0.37 O ATOM 169 CB GLN A 11 -9.610 -3.807 1.961 1.00 0.35 C ATOM 170 CG GLN A 11 -10.738 -3.674 0.930 1.00 0.41 C ATOM 171 CD GLN A 11 -10.670 -4.750 -0.152 1.00 0.76 C ATOM 172 OE1 GLN A 11 -11.240 -5.824 -0.016 1.00 1.76 O ATOM 173 NE2 GLN A 11 -9.960 -4.458 -1.233 1.00 0.77 N ATOM 0 H GLN A 11 -8.126 -4.088 -0.221 1.00 0.30 H new ATOM 0 HA GLN A 11 -8.407 -2.072 1.871 1.00 0.28 H new ATOM 0 HB2 GLN A 11 -9.419 -4.868 2.120 1.00 0.35 H new ATOM 0 HB3 GLN A 11 -9.967 -3.402 2.908 1.00 0.35 H new ATOM 0 HG2 GLN A 11 -11.700 -3.735 1.439 1.00 0.41 H new ATOM 0 HG3 GLN A 11 -10.686 -2.690 0.464 1.00 0.41 H new ATOM 0 HE21 GLN A 11 -9.499 -3.552 -1.311 1.00 0.77 H new ATOM 0 HE22 GLN A 11 -9.875 -5.140 -1.987 1.00 0.77 H new ATOM 182 N VAL A 12 -6.984 -3.243 3.690 1.00 0.32 N ATOM 183 CA VAL A 12 -5.925 -3.690 4.591 1.00 0.32 C ATOM 184 C VAL A 12 -6.535 -4.391 5.803 1.00 0.40 C ATOM 185 O VAL A 12 -7.718 -4.217 6.085 1.00 0.69 O ATOM 186 CB VAL A 12 -5.011 -2.515 4.990 1.00 0.38 C ATOM 187 CG1 VAL A 12 -3.596 -2.997 5.338 1.00 0.39 C ATOM 188 CG2 VAL A 12 -4.869 -1.518 3.840 1.00 0.43 C ATOM 0 H VAL A 12 -7.600 -2.539 4.098 1.00 0.32 H new ATOM 0 HA VAL A 12 -5.294 -4.413 4.074 1.00 0.32 H new ATOM 0 HB VAL A 12 -5.477 -2.046 5.857 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -2.978 -2.143 5.615 1.00 0.39 H new ATOM 0 HG12 VAL A 12 -3.645 -3.695 6.174 1.00 0.39 H new ATOM 0 HG13 VAL A 12 -3.159 -3.496 4.473 1.00 0.39 H new ATOM 0 HG21 VAL A 12 -4.219 -0.698 4.147 1.00 0.43 H new ATOM 0 HG22 VAL A 12 -4.436 -2.020 2.975 1.00 0.43 H new ATOM 0 HG23 VAL A 12 -5.851 -1.124 3.577 1.00 0.43 H new ATOM 198 N SER A 13 -5.729 -5.183 6.513 1.00 0.31 N ATOM 199 CA SER A 13 -6.099 -5.858 7.743 1.00 0.42 C ATOM 200 C SER A 13 -5.055 -5.534 8.814 1.00 0.55 C ATOM 201 O SER A 13 -3.870 -5.807 8.612 1.00 0.84 O ATOM 202 CB SER A 13 -6.153 -7.365 7.471 1.00 0.63 C ATOM 203 OG SER A 13 -6.923 -8.030 8.456 1.00 0.78 O ATOM 0 H SER A 13 -4.768 -5.374 6.231 1.00 0.31 H new ATOM 0 HA SER A 13 -7.076 -5.526 8.095 1.00 0.42 H new ATOM 0 HB2 SER A 13 -6.582 -7.545 6.485 1.00 0.63 H new ATOM 0 HB3 SER A 13 -5.142 -7.772 7.458 1.00 0.63 H new ATOM 0 HG SER A 13 -6.945 -8.990 8.261 1.00 0.78 H new ATOM 209 N GLY A 14 -5.498 -4.977 9.948 1.00 0.49 N ATOM 210 CA GLY A 14 -4.692 -4.779 11.153 1.00 0.73 C ATOM 211 C GLY A 14 -4.589 -3.309 11.571 1.00 0.86 C ATOM 212 O GLY A 14 -4.255 -3.016 12.716 1.00 1.43 O ATOM 0 H GLY A 14 -6.456 -4.643 10.053 1.00 0.49 H new ATOM 0 HA2 GLY A 14 -5.125 -5.354 11.971 1.00 0.73 H new ATOM 0 HA3 GLY A 14 -3.690 -5.173 10.982 1.00 0.73 H new ATOM 216 N MET A 15 -4.850 -2.386 10.642 1.00 0.81 N ATOM 217 CA MET A 15 -4.887 -0.946 10.880 1.00 0.91 C ATOM 218 C MET A 15 -5.731 -0.575 12.111 1.00 0.98 C ATOM 219 O MET A 15 -6.725 -1.236 12.405 1.00 1.08 O ATOM 220 CB MET A 15 -5.404 -0.221 9.622 1.00 1.07 C ATOM 221 CG MET A 15 -6.849 -0.584 9.231 1.00 1.06 C ATOM 222 SD MET A 15 -7.079 -2.136 8.328 1.00 2.77 S ATOM 223 CE MET A 15 -8.838 -2.408 8.618 1.00 3.53 C ATOM 0 H MET A 15 -5.048 -2.632 9.672 1.00 0.81 H new ATOM 0 HA MET A 15 -3.869 -0.620 11.092 1.00 0.91 H new ATOM 0 HB2 MET A 15 -5.344 0.855 9.786 1.00 1.07 H new ATOM 0 HB3 MET A 15 -4.744 -0.453 8.786 1.00 1.07 H new ATOM 0 HG2 MET A 15 -7.447 -0.627 10.141 1.00 1.06 H new ATOM 0 HG3 MET A 15 -7.251 0.227 8.623 1.00 1.06 H new ATOM 0 HE1 MET A 15 -9.173 -3.270 8.041 1.00 3.53 H new ATOM 0 HE2 MET A 15 -9.008 -2.593 9.679 1.00 3.53 H new ATOM 0 HE3 MET A 15 -9.398 -1.525 8.310 1.00 3.53 H new ATOM 233 N THR A 16 -5.361 0.513 12.799 1.00 1.36 N ATOM 234 CA THR A 16 -6.096 1.028 13.953 1.00 1.66 C ATOM 235 C THR A 16 -6.247 2.551 13.860 1.00 1.11 C ATOM 236 O THR A 16 -6.098 3.253 14.859 1.00 1.53 O ATOM 237 CB THR A 16 -5.381 0.621 15.251 1.00 2.66 C ATOM 238 OG1 THR A 16 -4.130 1.276 15.325 1.00 3.45 O ATOM 239 CG2 THR A 16 -5.175 -0.893 15.356 1.00 3.19 C ATOM 0 H THR A 16 -4.535 1.063 12.565 1.00 1.36 H new ATOM 0 HA THR A 16 -7.096 0.595 13.959 1.00 1.66 H new ATOM 0 HB THR A 16 -6.018 0.921 16.083 1.00 2.66 H new ATOM 0 HG1 THR A 16 -3.674 1.018 16.153 1.00 3.45 H new ATOM 0 HG21 THR A 16 -4.666 -1.127 16.291 1.00 3.19 H new ATOM 0 HG22 THR A 16 -6.143 -1.394 15.334 1.00 3.19 H new ATOM 0 HG23 THR A 16 -4.570 -1.237 14.517 1.00 3.19 H new ATOM 247 N CYS A 17 -6.517 3.064 12.657 1.00 1.00 N ATOM 248 CA CYS A 17 -6.703 4.490 12.410 1.00 1.74 C ATOM 249 C CYS A 17 -5.456 5.285 12.821 1.00 1.60 C ATOM 250 O CYS A 17 -4.361 4.809 12.544 1.00 2.16 O ATOM 251 CB CYS A 17 -8.042 4.969 12.986 1.00 2.59 C ATOM 252 SG CYS A 17 -8.554 6.467 12.109 1.00 3.97 S ATOM 0 H CYS A 17 -6.613 2.491 11.819 1.00 1.00 H new ATOM 0 HA CYS A 17 -6.791 4.684 11.341 1.00 1.74 H new ATOM 0 HB2 CYS A 17 -8.799 4.192 12.878 1.00 2.59 H new ATOM 0 HB3 CYS A 17 -7.943 5.172 14.052 1.00 2.59 H new ATOM 0 HG CYS A 17 -9.690 6.883 12.586 1.00 3.97 H new ATOM 258 N ALA A 18 -5.586 6.469 13.434 1.00 1.45 N ATOM 259 CA ALA A 18 -4.504 7.264 14.018 1.00 1.47 C ATOM 260 C ALA A 18 -3.187 7.246 13.222 1.00 1.44 C ATOM 261 O ALA A 18 -2.113 7.061 13.788 1.00 2.46 O ATOM 262 CB ALA A 18 -4.302 6.828 15.474 1.00 1.70 C ATOM 0 H ALA A 18 -6.495 6.919 13.540 1.00 1.45 H new ATOM 0 HA ALA A 18 -4.813 8.308 13.976 1.00 1.47 H new ATOM 0 HB1 ALA A 18 -3.498 7.413 15.921 1.00 1.70 H new ATOM 0 HB2 ALA A 18 -5.223 6.990 16.034 1.00 1.70 H new ATOM 0 HB3 ALA A 18 -4.041 5.770 15.504 1.00 1.70 H new ATOM 268 N ALA A 19 -3.269 7.465 11.903 1.00 1.17 N ATOM 269 CA ALA A 19 -2.120 7.522 10.998 1.00 0.96 C ATOM 270 C ALA A 19 -1.254 6.246 11.016 1.00 0.76 C ATOM 271 O ALA A 19 -0.082 6.280 10.645 1.00 0.79 O ATOM 272 CB ALA A 19 -1.295 8.787 11.278 1.00 1.31 C ATOM 0 H ALA A 19 -4.159 7.611 11.427 1.00 1.17 H new ATOM 0 HA ALA A 19 -2.512 7.575 9.982 1.00 0.96 H new ATOM 0 HB1 ALA A 19 -0.442 8.822 10.601 1.00 1.31 H new ATOM 0 HB2 ALA A 19 -1.917 9.669 11.124 1.00 1.31 H new ATOM 0 HB3 ALA A 19 -0.940 8.769 12.308 1.00 1.31 H new ATOM 278 N CYS A 20 -1.834 5.108 11.398 1.00 0.76 N ATOM 279 CA CYS A 20 -1.163 3.813 11.399 1.00 0.82 C ATOM 280 C CYS A 20 -0.982 3.343 9.962 1.00 0.68 C ATOM 281 O CYS A 20 0.136 3.178 9.483 1.00 0.70 O ATOM 282 CB CYS A 20 -1.940 2.775 12.224 1.00 0.96 C ATOM 283 SG CYS A 20 -1.701 3.081 13.994 1.00 1.36 S ATOM 0 H CYS A 20 -2.801 5.062 11.721 1.00 0.76 H new ATOM 0 HA CYS A 20 -0.186 3.924 11.869 1.00 0.82 H new ATOM 0 HB2 CYS A 20 -3.001 2.824 11.979 1.00 0.96 H new ATOM 0 HB3 CYS A 20 -1.601 1.770 11.972 1.00 0.96 H new ATOM 0 HG CYS A 20 -2.599 2.430 14.672 1.00 1.36 H new ATOM 289 N ALA A 21 -2.086 3.163 9.234 1.00 0.62 N ATOM 290 CA ALA A 21 -2.012 2.679 7.858 1.00 0.63 C ATOM 291 C ALA A 21 -1.272 3.654 6.941 1.00 0.46 C ATOM 292 O ALA A 21 -0.682 3.268 5.934 1.00 0.50 O ATOM 293 CB ALA A 21 -3.398 2.329 7.337 1.00 0.80 C ATOM 0 H ALA A 21 -3.031 3.343 9.571 1.00 0.62 H new ATOM 0 HA ALA A 21 -1.420 1.764 7.858 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -3.321 1.971 6.311 1.00 0.80 H new ATOM 0 HB2 ALA A 21 -3.835 1.550 7.962 1.00 0.80 H new ATOM 0 HB3 ALA A 21 -4.032 3.215 7.365 1.00 0.80 H new ATOM 299 N ALA A 22 -1.241 4.929 7.323 1.00 0.35 N ATOM 300 CA ALA A 22 -0.363 5.882 6.683 1.00 0.27 C ATOM 301 C ALA A 22 1.096 5.413 6.756 1.00 0.29 C ATOM 302 O ALA A 22 1.786 5.473 5.743 1.00 0.30 O ATOM 303 CB ALA A 22 -0.553 7.249 7.339 1.00 0.28 C ATOM 0 H ALA A 22 -1.815 5.317 8.071 1.00 0.35 H new ATOM 0 HA ALA A 22 -0.615 5.963 5.626 1.00 0.27 H new ATOM 0 HB1 ALA A 22 0.105 7.976 6.863 1.00 0.28 H new ATOM 0 HB2 ALA A 22 -1.589 7.567 7.223 1.00 0.28 H new ATOM 0 HB3 ALA A 22 -0.311 7.180 8.400 1.00 0.28 H new ATOM 309 N ARG A 23 1.578 4.935 7.913 1.00 0.32 N ATOM 310 CA ARG A 23 2.918 4.355 8.012 1.00 0.34 C ATOM 311 C ARG A 23 3.053 3.168 7.063 1.00 0.30 C ATOM 312 O ARG A 23 4.041 3.092 6.330 1.00 0.32 O ATOM 313 CB ARG A 23 3.258 3.909 9.442 1.00 0.44 C ATOM 314 CG ARG A 23 3.515 5.069 10.410 1.00 0.60 C ATOM 315 CD ARG A 23 4.886 5.727 10.171 1.00 1.24 C ATOM 316 NE ARG A 23 4.800 6.964 9.378 1.00 2.62 N ATOM 317 CZ ARG A 23 4.465 8.163 9.882 1.00 3.49 C ATOM 318 NH1 ARG A 23 3.981 8.246 11.126 1.00 3.97 N ATOM 319 NH2 ARG A 23 4.623 9.270 9.148 1.00 4.83 N ATOM 0 H ARG A 23 1.057 4.940 8.790 1.00 0.32 H new ATOM 0 HA ARG A 23 3.623 5.137 7.731 1.00 0.34 H new ATOM 0 HB2 ARG A 23 2.439 3.302 9.827 1.00 0.44 H new ATOM 0 HB3 ARG A 23 4.141 3.271 9.413 1.00 0.44 H new ATOM 0 HG2 ARG A 23 2.730 5.816 10.297 1.00 0.60 H new ATOM 0 HG3 ARG A 23 3.462 4.704 11.436 1.00 0.60 H new ATOM 0 HD2 ARG A 23 5.348 5.950 11.133 1.00 1.24 H new ATOM 0 HD3 ARG A 23 5.538 5.019 9.660 1.00 1.24 H new ATOM 0 HE ARG A 23 5.008 6.907 8.381 1.00 2.62 H new ATOM 0 HH11 ARG A 23 3.868 7.401 11.687 1.00 3.97 H new ATOM 0 HH12 ARG A 23 3.725 9.154 11.514 1.00 3.97 H new ATOM 0 HH21 ARG A 23 4.999 9.205 8.202 1.00 4.83 H new ATOM 0 HH22 ARG A 23 4.367 10.179 9.534 1.00 4.83 H new ATOM 333 N ILE A 24 2.068 2.261 7.085 1.00 0.29 N ATOM 334 CA ILE A 24 2.063 1.082 6.223 1.00 0.32 C ATOM 335 C ILE A 24 2.397 1.514 4.795 1.00 0.28 C ATOM 336 O ILE A 24 3.412 1.103 4.228 1.00 0.30 O ATOM 337 CB ILE A 24 0.709 0.337 6.280 1.00 0.36 C ATOM 338 CG1 ILE A 24 0.376 -0.143 7.697 1.00 0.45 C ATOM 339 CG2 ILE A 24 0.715 -0.866 5.334 1.00 0.48 C ATOM 340 CD1 ILE A 24 -1.016 -0.793 7.756 1.00 0.53 C ATOM 0 H ILE A 24 1.257 2.327 7.700 1.00 0.29 H new ATOM 0 HA ILE A 24 2.818 0.380 6.577 1.00 0.32 H new ATOM 0 HB ILE A 24 -0.055 1.049 5.969 1.00 0.36 H new ATOM 0 HG12 ILE A 24 1.128 -0.860 8.026 1.00 0.45 H new ATOM 0 HG13 ILE A 24 0.415 0.700 8.387 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -0.246 -1.377 5.389 1.00 0.48 H new ATOM 0 HG22 ILE A 24 0.887 -0.525 4.313 1.00 0.48 H new ATOM 0 HG23 ILE A 24 1.509 -1.554 5.625 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -1.221 -1.122 8.775 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -1.770 -0.067 7.451 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -1.046 -1.651 7.084 1.00 0.53 H new ATOM 352 N GLU A 25 1.556 2.381 4.227 1.00 0.23 N ATOM 353 CA GLU A 25 1.719 2.740 2.832 1.00 0.20 C ATOM 354 C GLU A 25 2.942 3.638 2.617 1.00 0.19 C ATOM 355 O GLU A 25 3.592 3.573 1.579 1.00 0.27 O ATOM 356 CB GLU A 25 0.451 3.407 2.293 1.00 0.21 C ATOM 357 CG GLU A 25 0.120 2.834 0.901 1.00 0.22 C ATOM 358 CD GLU A 25 -0.387 1.391 0.922 1.00 1.21 C ATOM 359 OE1 GLU A 25 -0.488 0.826 2.033 1.00 2.55 O ATOM 360 OE2 GLU A 25 -0.663 0.881 -0.184 1.00 1.90 O ATOM 0 H GLU A 25 0.776 2.834 4.704 1.00 0.23 H new ATOM 0 HA GLU A 25 1.889 1.820 2.273 1.00 0.20 H new ATOM 0 HB2 GLU A 25 -0.381 3.235 2.976 1.00 0.21 H new ATOM 0 HB3 GLU A 25 0.594 4.486 2.229 1.00 0.21 H new ATOM 0 HG2 GLU A 25 -0.634 3.465 0.430 1.00 0.22 H new ATOM 0 HG3 GLU A 25 1.013 2.885 0.278 1.00 0.22 H new ATOM 367 N LYS A 26 3.265 4.512 3.574 1.00 0.18 N ATOM 368 CA LYS A 26 4.462 5.336 3.508 1.00 0.19 C ATOM 369 C LYS A 26 5.711 4.475 3.338 1.00 0.21 C ATOM 370 O LYS A 26 6.629 4.864 2.617 1.00 0.25 O ATOM 371 CB LYS A 26 4.562 6.191 4.769 1.00 0.26 C ATOM 372 CG LYS A 26 3.666 7.430 4.678 1.00 0.33 C ATOM 373 CD LYS A 26 4.408 8.562 3.953 1.00 0.47 C ATOM 374 CE LYS A 26 3.553 9.837 3.859 1.00 0.58 C ATOM 375 NZ LYS A 26 2.387 9.689 2.958 1.00 2.62 N ATOM 0 H LYS A 26 2.702 4.664 4.411 1.00 0.18 H new ATOM 0 HA LYS A 26 4.392 5.989 2.638 1.00 0.19 H new ATOM 0 HB2 LYS A 26 4.276 5.597 5.637 1.00 0.26 H new ATOM 0 HB3 LYS A 26 5.597 6.499 4.920 1.00 0.26 H new ATOM 0 HG2 LYS A 26 2.747 7.186 4.145 1.00 0.33 H new ATOM 0 HG3 LYS A 26 3.378 7.755 5.678 1.00 0.33 H new ATOM 0 HD2 LYS A 26 5.336 8.785 4.480 1.00 0.47 H new ATOM 0 HD3 LYS A 26 4.682 8.233 2.950 1.00 0.47 H new ATOM 0 HE2 LYS A 26 3.203 10.107 4.855 1.00 0.58 H new ATOM 0 HE3 LYS A 26 4.175 10.659 3.506 1.00 0.58 H new ATOM 0 HZ1 LYS A 26 1.850 10.579 2.936 1.00 2.62 H new ATOM 0 HZ2 LYS A 26 2.717 9.459 1.999 1.00 2.62 H new ATOM 0 HZ3 LYS A 26 1.774 8.924 3.306 1.00 2.62 H new ATOM 389 N GLY A 27 5.728 3.308 3.983 1.00 0.22 N ATOM 390 CA GLY A 27 6.698 2.267 3.691 1.00 0.25 C ATOM 391 C GLY A 27 6.776 2.026 2.181 1.00 0.27 C ATOM 392 O GLY A 27 7.843 2.144 1.583 1.00 0.34 O ATOM 0 H GLY A 27 5.068 3.064 4.721 1.00 0.22 H new ATOM 0 HA2 GLY A 27 7.678 2.555 4.072 1.00 0.25 H new ATOM 0 HA3 GLY A 27 6.417 1.345 4.200 1.00 0.25 H new ATOM 396 N LEU A 28 5.636 1.746 1.547 1.00 0.26 N ATOM 397 CA LEU A 28 5.580 1.514 0.112 1.00 0.27 C ATOM 398 C LEU A 28 5.974 2.738 -0.701 1.00 0.26 C ATOM 399 O LEU A 28 6.580 2.578 -1.752 1.00 0.27 O ATOM 400 CB LEU A 28 4.211 1.008 -0.314 1.00 0.28 C ATOM 401 CG LEU A 28 3.854 -0.310 0.374 1.00 0.29 C ATOM 402 CD1 LEU A 28 2.428 -0.635 -0.062 1.00 0.31 C ATOM 403 CD2 LEU A 28 4.875 -1.428 0.084 1.00 0.31 C ATOM 0 H LEU A 28 4.733 1.675 2.015 1.00 0.26 H new ATOM 0 HA LEU A 28 6.319 0.741 -0.099 1.00 0.27 H new ATOM 0 HB2 LEU A 28 3.456 1.758 -0.077 1.00 0.28 H new ATOM 0 HB3 LEU A 28 4.195 0.870 -1.395 1.00 0.28 H new ATOM 0 HG LEU A 28 3.899 -0.220 1.459 1.00 0.29 H new ATOM 0 HD11 LEU A 28 2.111 -1.571 0.398 1.00 0.31 H new ATOM 0 HD12 LEU A 28 1.760 0.167 0.251 1.00 0.31 H new ATOM 0 HD13 LEU A 28 2.393 -0.734 -1.147 1.00 0.31 H new ATOM 0 HD21 LEU A 28 4.571 -2.340 0.598 1.00 0.31 H new ATOM 0 HD22 LEU A 28 4.917 -1.613 -0.989 1.00 0.31 H new ATOM 0 HD23 LEU A 28 5.859 -1.123 0.439 1.00 0.31 H new ATOM 415 N LYS A 29 5.690 3.954 -0.228 1.00 0.26 N ATOM 416 CA LYS A 29 6.188 5.165 -0.875 1.00 0.29 C ATOM 417 C LYS A 29 7.730 5.174 -0.966 1.00 0.32 C ATOM 418 O LYS A 29 8.281 5.947 -1.745 1.00 0.39 O ATOM 419 CB LYS A 29 5.543 6.440 -0.292 1.00 0.33 C ATOM 420 CG LYS A 29 6.212 7.720 -0.827 1.00 0.44 C ATOM 421 CD LYS A 29 5.514 9.028 -0.435 1.00 0.87 C ATOM 422 CE LYS A 29 4.082 9.094 -0.981 1.00 0.84 C ATOM 423 NZ LYS A 29 3.740 10.416 -1.556 1.00 1.29 N ATOM 0 H LYS A 29 5.118 4.123 0.600 1.00 0.26 H new ATOM 0 HA LYS A 29 5.861 5.161 -1.915 1.00 0.29 H new ATOM 0 HB2 LYS A 29 4.481 6.455 -0.539 1.00 0.33 H new ATOM 0 HB3 LYS A 29 5.617 6.419 0.795 1.00 0.33 H new ATOM 0 HG2 LYS A 29 7.240 7.752 -0.467 1.00 0.44 H new ATOM 0 HG3 LYS A 29 6.257 7.661 -1.914 1.00 0.44 H new ATOM 0 HD2 LYS A 29 5.494 9.118 0.651 1.00 0.87 H new ATOM 0 HD3 LYS A 29 6.087 9.874 -0.814 1.00 0.87 H new ATOM 0 HE2 LYS A 29 3.955 8.328 -1.746 1.00 0.84 H new ATOM 0 HE3 LYS A 29 3.382 8.861 -0.178 1.00 0.84 H new ATOM 0 HZ1 LYS A 29 2.732 10.614 -1.395 1.00 1.29 H new ATOM 0 HZ2 LYS A 29 4.315 11.152 -1.099 1.00 1.29 H new ATOM 0 HZ3 LYS A 29 3.933 10.410 -2.578 1.00 1.29 H new ATOM 437 N ARG A 30 8.444 4.348 -0.189 1.00 0.31 N ATOM 438 CA ARG A 30 9.884 4.149 -0.363 1.00 0.36 C ATOM 439 C ARG A 30 10.266 3.041 -1.373 1.00 0.32 C ATOM 440 O ARG A 30 11.446 2.938 -1.703 1.00 0.43 O ATOM 441 CB ARG A 30 10.543 3.904 1.011 1.00 0.46 C ATOM 442 CG ARG A 30 11.471 5.035 1.492 1.00 0.72 C ATOM 443 CD ARG A 30 10.952 5.739 2.753 1.00 0.91 C ATOM 444 NE ARG A 30 9.920 6.741 2.441 1.00 2.14 N ATOM 445 CZ ARG A 30 9.510 7.673 3.318 1.00 3.01 C ATOM 446 NH1 ARG A 30 9.816 7.540 4.613 1.00 3.07 N ATOM 447 NH2 ARG A 30 8.822 8.742 2.899 1.00 4.44 N ATOM 0 H ARG A 30 8.040 3.803 0.573 1.00 0.31 H new ATOM 0 HA ARG A 30 10.269 5.068 -0.806 1.00 0.36 H new ATOM 0 HB2 ARG A 30 9.759 3.756 1.753 1.00 0.46 H new ATOM 0 HB3 ARG A 30 11.116 2.978 0.964 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.461 4.625 1.692 1.00 0.72 H new ATOM 0 HG3 ARG A 30 11.585 5.768 0.694 1.00 0.72 H new ATOM 0 HD2 ARG A 30 10.542 4.998 3.439 1.00 0.91 H new ATOM 0 HD3 ARG A 30 11.783 6.223 3.266 1.00 0.91 H new ATOM 0 HE ARG A 30 9.495 6.727 1.514 1.00 2.14 H new ATOM 0 HH11 ARG A 30 10.357 6.735 4.929 1.00 3.07 H new ATOM 0 HH12 ARG A 30 9.508 8.243 5.285 1.00 3.07 H new ATOM 0 HH21 ARG A 30 8.606 8.853 1.908 1.00 4.44 H new ATOM 0 HH22 ARG A 30 8.514 9.445 3.570 1.00 4.44 H new ATOM 461 N MET A 31 9.348 2.189 -1.852 1.00 0.24 N ATOM 462 CA MET A 31 9.707 1.101 -2.769 1.00 0.21 C ATOM 463 C MET A 31 10.101 1.631 -4.162 1.00 0.19 C ATOM 464 O MET A 31 9.451 2.535 -4.689 1.00 0.23 O ATOM 465 CB MET A 31 8.577 0.062 -2.883 1.00 0.26 C ATOM 466 CG MET A 31 8.657 -1.094 -1.873 1.00 0.52 C ATOM 467 SD MET A 31 8.566 -0.717 -0.102 1.00 2.23 S ATOM 468 CE MET A 31 10.298 -0.461 0.332 1.00 3.23 C ATOM 0 H MET A 31 8.356 2.233 -1.620 1.00 0.24 H new ATOM 0 HA MET A 31 10.580 0.606 -2.343 1.00 0.21 H new ATOM 0 HB2 MET A 31 7.621 0.571 -2.756 1.00 0.26 H new ATOM 0 HB3 MET A 31 8.586 -0.354 -3.891 1.00 0.26 H new ATOM 0 HG2 MET A 31 7.850 -1.790 -2.104 1.00 0.52 H new ATOM 0 HG3 MET A 31 9.594 -1.622 -2.050 1.00 0.52 H new ATOM 0 HE1 MET A 31 10.418 -0.541 1.412 1.00 3.23 H new ATOM 0 HE2 MET A 31 10.911 -1.217 -0.158 1.00 3.23 H new ATOM 0 HE3 MET A 31 10.613 0.530 0.004 1.00 3.23 H new ATOM 478 N PRO A 32 11.154 1.068 -4.782 1.00 0.18 N ATOM 479 CA PRO A 32 11.711 1.562 -6.032 1.00 0.22 C ATOM 480 C PRO A 32 10.762 1.294 -7.201 1.00 0.28 C ATOM 481 O PRO A 32 10.863 0.247 -7.823 1.00 0.49 O ATOM 482 CB PRO A 32 13.028 0.794 -6.210 1.00 0.28 C ATOM 483 CG PRO A 32 12.758 -0.535 -5.504 1.00 0.26 C ATOM 484 CD PRO A 32 11.896 -0.098 -4.321 1.00 0.23 C ATOM 0 HA PRO A 32 11.865 2.641 -6.009 1.00 0.22 H new ATOM 0 HB2 PRO A 32 13.270 0.648 -7.263 1.00 0.28 H new ATOM 0 HB3 PRO A 32 13.867 1.325 -5.761 1.00 0.28 H new ATOM 0 HG2 PRO A 32 12.236 -1.241 -6.150 1.00 0.26 H new ATOM 0 HG3 PRO A 32 13.679 -1.019 -5.180 1.00 0.26 H new ATOM 0 HD2 PRO A 32 11.220 -0.896 -4.014 1.00 0.23 H new ATOM 0 HD3 PRO A 32 12.513 0.147 -3.457 1.00 0.23 H new ATOM 492 N GLY A 33 9.865 2.236 -7.505 1.00 0.19 N ATOM 493 CA GLY A 33 8.903 2.146 -8.596 1.00 0.19 C ATOM 494 C GLY A 33 7.527 2.652 -8.167 1.00 0.20 C ATOM 495 O GLY A 33 6.633 2.791 -9.000 1.00 0.28 O ATOM 0 H GLY A 33 9.790 3.107 -6.980 1.00 0.19 H new ATOM 0 HA2 GLY A 33 9.258 2.729 -9.446 1.00 0.19 H new ATOM 0 HA3 GLY A 33 8.824 1.111 -8.930 1.00 0.19 H new ATOM 499 N VAL A 34 7.334 2.945 -6.877 1.00 0.19 N ATOM 500 CA VAL A 34 6.198 3.726 -6.420 1.00 0.19 C ATOM 501 C VAL A 34 6.298 5.172 -6.914 1.00 0.21 C ATOM 502 O VAL A 34 7.382 5.659 -7.231 1.00 0.29 O ATOM 503 CB VAL A 34 6.149 3.642 -4.889 1.00 0.19 C ATOM 504 CG1 VAL A 34 7.230 4.546 -4.283 1.00 0.25 C ATOM 505 CG2 VAL A 34 4.754 3.974 -4.339 1.00 0.26 C ATOM 0 H VAL A 34 7.961 2.646 -6.130 1.00 0.19 H new ATOM 0 HA VAL A 34 5.271 3.326 -6.830 1.00 0.19 H new ATOM 0 HB VAL A 34 6.354 2.612 -4.596 1.00 0.19 H new ATOM 0 HG11 VAL A 34 7.190 4.482 -3.196 1.00 0.25 H new ATOM 0 HG12 VAL A 34 8.211 4.222 -4.630 1.00 0.25 H new ATOM 0 HG13 VAL A 34 7.058 5.577 -4.592 1.00 0.25 H new ATOM 0 HG21 VAL A 34 4.765 3.902 -3.251 1.00 0.26 H new ATOM 0 HG22 VAL A 34 4.479 4.987 -4.633 1.00 0.26 H new ATOM 0 HG23 VAL A 34 4.027 3.269 -4.742 1.00 0.26 H new ATOM 515 N THR A 35 5.160 5.862 -6.917 1.00 0.21 N ATOM 516 CA THR A 35 5.063 7.302 -7.105 1.00 0.26 C ATOM 517 C THR A 35 4.417 7.913 -5.867 1.00 0.24 C ATOM 518 O THR A 35 5.030 8.753 -5.208 1.00 0.31 O ATOM 519 CB THR A 35 4.267 7.661 -8.375 1.00 0.32 C ATOM 520 OG1 THR A 35 3.819 6.497 -9.034 1.00 0.39 O ATOM 521 CG2 THR A 35 5.131 8.480 -9.338 1.00 0.40 C ATOM 0 H THR A 35 4.252 5.417 -6.784 1.00 0.21 H new ATOM 0 HA THR A 35 6.065 7.710 -7.240 1.00 0.26 H new ATOM 0 HB THR A 35 3.405 8.252 -8.068 1.00 0.32 H new ATOM 0 HG1 THR A 35 3.325 5.933 -8.403 1.00 0.39 H new ATOM 0 HG21 THR A 35 4.552 8.724 -10.229 1.00 0.40 H new ATOM 0 HG22 THR A 35 5.449 9.401 -8.848 1.00 0.40 H new ATOM 0 HG23 THR A 35 6.008 7.899 -9.623 1.00 0.40 H new ATOM 529 N ASP A 36 3.184 7.493 -5.544 1.00 0.22 N ATOM 530 CA ASP A 36 2.465 8.061 -4.411 1.00 0.25 C ATOM 531 C ASP A 36 1.598 7.030 -3.694 1.00 0.30 C ATOM 532 O ASP A 36 1.340 5.963 -4.245 1.00 0.57 O ATOM 533 CB ASP A 36 1.690 9.330 -4.797 1.00 0.33 C ATOM 534 CG ASP A 36 1.825 10.315 -3.660 1.00 1.23 C ATOM 535 OD1 ASP A 36 1.349 10.011 -2.545 1.00 2.31 O ATOM 536 OD2 ASP A 36 2.683 11.215 -3.767 1.00 2.25 O ATOM 0 H ASP A 36 2.675 6.769 -6.050 1.00 0.22 H new ATOM 0 HA ASP A 36 3.217 8.372 -3.685 1.00 0.25 H new ATOM 0 HB2 ASP A 36 2.086 9.754 -5.719 1.00 0.33 H new ATOM 0 HB3 ASP A 36 0.641 9.097 -4.978 1.00 0.33 H new ATOM 541 N ALA A 37 1.188 7.351 -2.463 1.00 0.20 N ATOM 542 CA ALA A 37 0.475 6.479 -1.543 1.00 0.28 C ATOM 543 C ALA A 37 -0.515 7.304 -0.715 1.00 0.49 C ATOM 544 O ALA A 37 -0.098 8.254 -0.048 1.00 0.88 O ATOM 545 CB ALA A 37 1.500 5.801 -0.634 1.00 0.53 C ATOM 0 H ALA A 37 1.357 8.276 -2.067 1.00 0.20 H new ATOM 0 HA ALA A 37 -0.086 5.722 -2.091 1.00 0.28 H new ATOM 0 HB1 ALA A 37 0.986 5.141 0.065 1.00 0.53 H new ATOM 0 HB2 ALA A 37 2.194 5.218 -1.240 1.00 0.53 H new ATOM 0 HB3 ALA A 37 2.052 6.559 -0.079 1.00 0.53 H new ATOM 551 N ASN A 38 -1.806 6.947 -0.748 1.00 0.31 N ATOM 552 CA ASN A 38 -2.907 7.695 -0.146 1.00 0.42 C ATOM 553 C ASN A 38 -3.833 6.727 0.587 1.00 0.37 C ATOM 554 O ASN A 38 -4.399 5.822 -0.026 1.00 0.38 O ATOM 555 CB ASN A 38 -3.696 8.449 -1.228 1.00 0.52 C ATOM 556 CG ASN A 38 -3.315 9.925 -1.279 1.00 0.76 C ATOM 557 OD1 ASN A 38 -3.512 10.650 -0.310 1.00 1.56 O ATOM 558 ND2 ASN A 38 -2.777 10.391 -2.402 1.00 0.76 N ATOM 0 H ASN A 38 -2.119 6.095 -1.214 1.00 0.31 H new ATOM 0 HA ASN A 38 -2.501 8.421 0.559 1.00 0.42 H new ATOM 0 HB2 ASN A 38 -3.510 7.991 -2.200 1.00 0.52 H new ATOM 0 HB3 ASN A 38 -4.764 8.355 -1.031 1.00 0.52 H new ATOM 0 HD21 ASN A 38 -2.517 11.375 -2.473 1.00 0.76 H new ATOM 0 HD22 ASN A 38 -2.624 9.765 -3.193 1.00 0.76 H new ATOM 565 N VAL A 39 -3.986 6.919 1.898 1.00 0.36 N ATOM 566 CA VAL A 39 -4.770 6.053 2.763 1.00 0.36 C ATOM 567 C VAL A 39 -6.213 6.561 2.868 1.00 0.35 C ATOM 568 O VAL A 39 -6.434 7.765 2.967 1.00 0.45 O ATOM 569 CB VAL A 39 -4.046 5.937 4.115 1.00 0.49 C ATOM 570 CG1 VAL A 39 -4.183 7.192 4.988 1.00 0.66 C ATOM 571 CG2 VAL A 39 -4.525 4.705 4.878 1.00 0.65 C ATOM 0 H VAL A 39 -3.556 7.700 2.394 1.00 0.36 H new ATOM 0 HA VAL A 39 -4.851 5.049 2.347 1.00 0.36 H new ATOM 0 HB VAL A 39 -2.986 5.833 3.885 1.00 0.49 H new ATOM 0 HG11 VAL A 39 -3.649 7.042 5.926 1.00 0.66 H new ATOM 0 HG12 VAL A 39 -3.761 8.049 4.463 1.00 0.66 H new ATOM 0 HG13 VAL A 39 -5.237 7.377 5.196 1.00 0.66 H new ATOM 0 HG21 VAL A 39 -4.001 4.641 5.832 1.00 0.65 H new ATOM 0 HG22 VAL A 39 -5.597 4.783 5.058 1.00 0.65 H new ATOM 0 HG23 VAL A 39 -4.319 3.810 4.290 1.00 0.65 H new ATOM 581 N ASN A 40 -7.189 5.646 2.844 1.00 0.30 N ATOM 582 CA ASN A 40 -8.617 5.918 2.957 1.00 0.33 C ATOM 583 C ASN A 40 -9.271 5.007 3.994 1.00 0.33 C ATOM 584 O ASN A 40 -10.115 4.161 3.683 1.00 0.29 O ATOM 585 CB ASN A 40 -9.308 5.780 1.593 1.00 0.33 C ATOM 586 CG ASN A 40 -10.689 6.432 1.618 1.00 0.82 C ATOM 587 OD1 ASN A 40 -11.015 7.190 2.527 1.00 1.00 O ATOM 588 ND2 ASN A 40 -11.531 6.122 0.639 1.00 1.23 N ATOM 0 H ASN A 40 -6.990 4.651 2.740 1.00 0.30 H new ATOM 0 HA ASN A 40 -8.736 6.947 3.295 1.00 0.33 H new ATOM 0 HB2 ASN A 40 -8.695 6.245 0.821 1.00 0.33 H new ATOM 0 HB3 ASN A 40 -9.403 4.726 1.333 1.00 0.33 H new ATOM 0 HD21 ASN A 40 -12.472 6.516 0.631 1.00 1.23 H new ATOM 0 HD22 ASN A 40 -11.237 5.490 -0.105 1.00 1.23 H new ATOM 595 N LEU A 41 -8.900 5.197 5.260 1.00 0.40 N ATOM 596 CA LEU A 41 -9.433 4.395 6.353 1.00 0.46 C ATOM 597 C LEU A 41 -10.918 4.632 6.600 1.00 0.52 C ATOM 598 O LEU A 41 -11.569 3.780 7.197 1.00 0.54 O ATOM 599 CB LEU A 41 -8.629 4.618 7.632 1.00 0.62 C ATOM 600 CG LEU A 41 -7.168 4.184 7.464 1.00 0.67 C ATOM 601 CD1 LEU A 41 -6.489 4.280 8.827 1.00 0.81 C ATOM 602 CD2 LEU A 41 -7.057 2.748 6.932 1.00 0.63 C ATOM 0 H LEU A 41 -8.227 5.906 5.552 1.00 0.40 H new ATOM 0 HA LEU A 41 -9.333 3.353 6.048 1.00 0.46 H new ATOM 0 HB2 LEU A 41 -8.667 5.672 7.907 1.00 0.62 H new ATOM 0 HB3 LEU A 41 -9.083 4.059 8.450 1.00 0.62 H new ATOM 0 HG LEU A 41 -6.685 4.837 6.737 1.00 0.67 H new ATOM 0 HD11 LEU A 41 -5.446 3.976 8.736 1.00 0.81 H new ATOM 0 HD12 LEU A 41 -6.538 5.308 9.186 1.00 0.81 H new ATOM 0 HD13 LEU A 41 -6.998 3.624 9.534 1.00 0.81 H new ATOM 0 HD21 LEU A 41 -6.006 2.479 6.827 1.00 0.63 H new ATOM 0 HD22 LEU A 41 -7.539 2.063 7.630 1.00 0.63 H new ATOM 0 HD23 LEU A 41 -7.547 2.681 5.961 1.00 0.63 H new ATOM 614 N ALA A 42 -11.475 5.720 6.063 1.00 0.56 N ATOM 615 CA ALA A 42 -12.919 5.916 6.001 1.00 0.62 C ATOM 616 C ALA A 42 -13.600 4.708 5.350 1.00 0.61 C ATOM 617 O ALA A 42 -14.782 4.461 5.577 1.00 0.76 O ATOM 618 CB ALA A 42 -13.234 7.184 5.202 1.00 0.65 C ATOM 0 H ALA A 42 -10.936 6.487 5.661 1.00 0.56 H new ATOM 0 HA ALA A 42 -13.301 6.023 7.016 1.00 0.62 H new ATOM 0 HB1 ALA A 42 -14.314 7.327 5.158 1.00 0.65 H new ATOM 0 HB2 ALA A 42 -12.773 8.044 5.688 1.00 0.65 H new ATOM 0 HB3 ALA A 42 -12.839 7.084 4.191 1.00 0.65 H new ATOM 624 N THR A 43 -12.853 3.975 4.522 1.00 0.48 N ATOM 625 CA THR A 43 -13.305 2.798 3.811 1.00 0.45 C ATOM 626 C THR A 43 -12.330 1.633 4.047 1.00 0.37 C ATOM 627 O THR A 43 -12.307 0.689 3.263 1.00 0.33 O ATOM 628 CB THR A 43 -13.429 3.225 2.339 1.00 0.47 C ATOM 629 OG1 THR A 43 -14.191 4.419 2.277 1.00 0.61 O ATOM 630 CG2 THR A 43 -14.116 2.199 1.445 1.00 0.49 C ATOM 0 H THR A 43 -11.878 4.202 4.327 1.00 0.48 H new ATOM 0 HA THR A 43 -14.269 2.427 4.159 1.00 0.45 H new ATOM 0 HB THR A 43 -12.410 3.347 1.972 1.00 0.47 H new ATOM 0 HG1 THR A 43 -14.277 4.704 1.343 1.00 0.61 H new ATOM 0 HG21 THR A 43 -14.162 2.579 0.424 1.00 0.49 H new ATOM 0 HG22 THR A 43 -13.551 1.267 1.460 1.00 0.49 H new ATOM 0 HG23 THR A 43 -15.127 2.017 1.810 1.00 0.49 H new ATOM 638 N GLU A 44 -11.511 1.687 5.111 1.00 0.38 N ATOM 639 CA GLU A 44 -10.525 0.656 5.444 1.00 0.37 C ATOM 640 C GLU A 44 -9.683 0.243 4.224 1.00 0.31 C ATOM 641 O GLU A 44 -9.309 -0.921 4.074 1.00 0.38 O ATOM 642 CB GLU A 44 -11.244 -0.530 6.099 1.00 0.43 C ATOM 643 CG GLU A 44 -11.894 -0.107 7.425 1.00 0.49 C ATOM 644 CD GLU A 44 -12.639 -1.270 8.065 1.00 1.37 C ATOM 645 OE1 GLU A 44 -11.953 -2.085 8.719 1.00 2.80 O ATOM 646 OE2 GLU A 44 -13.873 -1.322 7.882 1.00 1.84 O ATOM 0 H GLU A 44 -11.519 2.463 5.772 1.00 0.38 H new ATOM 0 HA GLU A 44 -9.809 1.063 6.158 1.00 0.37 H new ATOM 0 HB2 GLU A 44 -12.006 -0.918 5.423 1.00 0.43 H new ATOM 0 HB3 GLU A 44 -10.535 -1.338 6.278 1.00 0.43 H new ATOM 0 HG2 GLU A 44 -11.128 0.259 8.109 1.00 0.49 H new ATOM 0 HG3 GLU A 44 -12.584 0.718 7.249 1.00 0.49 H new ATOM 653 N THR A 45 -9.394 1.210 3.349 1.00 0.25 N ATOM 654 CA THR A 45 -8.834 0.979 2.028 1.00 0.24 C ATOM 655 C THR A 45 -7.672 1.936 1.834 1.00 0.21 C ATOM 656 O THR A 45 -7.643 3.007 2.437 1.00 0.21 O ATOM 657 CB THR A 45 -9.944 1.151 0.975 1.00 0.29 C ATOM 658 OG1 THR A 45 -10.835 0.061 1.066 1.00 0.47 O ATOM 659 CG2 THR A 45 -9.463 1.214 -0.478 1.00 0.30 C ATOM 0 H THR A 45 -9.549 2.198 3.551 1.00 0.25 H new ATOM 0 HA THR A 45 -8.450 -0.035 1.919 1.00 0.24 H new ATOM 0 HB THR A 45 -10.404 2.112 1.203 1.00 0.29 H new ATOM 0 HG1 THR A 45 -11.485 0.229 1.780 1.00 0.47 H new ATOM 0 HG21 THR A 45 -10.320 1.336 -1.140 1.00 0.30 H new ATOM 0 HG22 THR A 45 -8.786 2.060 -0.601 1.00 0.30 H new ATOM 0 HG23 THR A 45 -8.940 0.291 -0.728 1.00 0.30 H new ATOM 667 N VAL A 46 -6.703 1.545 1.013 1.00 0.22 N ATOM 668 CA VAL A 46 -5.583 2.387 0.644 1.00 0.21 C ATOM 669 C VAL A 46 -5.366 2.309 -0.864 1.00 0.19 C ATOM 670 O VAL A 46 -5.665 1.280 -1.475 1.00 0.24 O ATOM 671 CB VAL A 46 -4.372 1.973 1.483 1.00 0.32 C ATOM 672 CG1 VAL A 46 -3.976 0.504 1.269 1.00 0.45 C ATOM 673 CG2 VAL A 46 -3.158 2.850 1.204 1.00 0.28 C ATOM 0 H VAL A 46 -6.678 0.621 0.582 1.00 0.22 H new ATOM 0 HA VAL A 46 -5.770 3.439 0.860 1.00 0.21 H new ATOM 0 HB VAL A 46 -4.685 2.104 2.519 1.00 0.32 H new ATOM 0 HG11 VAL A 46 -3.112 0.266 1.889 1.00 0.45 H new ATOM 0 HG12 VAL A 46 -4.810 -0.142 1.546 1.00 0.45 H new ATOM 0 HG13 VAL A 46 -3.725 0.344 0.220 1.00 0.45 H new ATOM 0 HG21 VAL A 46 -2.322 2.521 1.821 1.00 0.28 H new ATOM 0 HG22 VAL A 46 -2.886 2.770 0.152 1.00 0.28 H new ATOM 0 HG23 VAL A 46 -3.397 3.887 1.440 1.00 0.28 H new ATOM 683 N ASN A 47 -4.905 3.422 -1.448 1.00 0.17 N ATOM 684 CA ASN A 47 -4.637 3.571 -2.870 1.00 0.24 C ATOM 685 C ASN A 47 -3.172 3.943 -3.048 1.00 0.24 C ATOM 686 O ASN A 47 -2.702 4.876 -2.398 1.00 0.42 O ATOM 687 CB ASN A 47 -5.545 4.648 -3.475 1.00 0.37 C ATOM 688 CG ASN A 47 -5.428 4.738 -5.002 1.00 1.13 C ATOM 689 OD1 ASN A 47 -5.965 3.889 -5.703 1.00 2.60 O ATOM 690 ND2 ASN A 47 -4.787 5.775 -5.537 1.00 1.01 N ATOM 0 H ASN A 47 -4.704 4.270 -0.918 1.00 0.17 H new ATOM 0 HA ASN A 47 -4.843 2.634 -3.387 1.00 0.24 H new ATOM 0 HB2 ASN A 47 -6.580 4.436 -3.207 1.00 0.37 H new ATOM 0 HB3 ASN A 47 -5.294 5.615 -3.039 1.00 0.37 H new ATOM 0 HD21 ASN A 47 -4.736 5.875 -6.551 1.00 1.01 H new ATOM 0 HD22 ASN A 47 -4.347 6.470 -4.933 1.00 1.01 H new ATOM 697 N VAL A 48 -2.450 3.229 -3.909 1.00 0.19 N ATOM 698 CA VAL A 48 -1.037 3.468 -4.165 1.00 0.21 C ATOM 699 C VAL A 48 -0.792 3.436 -5.671 1.00 0.19 C ATOM 700 O VAL A 48 -1.368 2.598 -6.365 1.00 0.19 O ATOM 701 CB VAL A 48 -0.169 2.501 -3.331 1.00 0.29 C ATOM 702 CG1 VAL A 48 -0.467 1.025 -3.601 1.00 0.31 C ATOM 703 CG2 VAL A 48 1.326 2.710 -3.587 1.00 0.39 C ATOM 0 H VAL A 48 -2.838 2.459 -4.454 1.00 0.19 H new ATOM 0 HA VAL A 48 -0.734 4.461 -3.834 1.00 0.21 H new ATOM 0 HB VAL A 48 -0.425 2.737 -2.298 1.00 0.29 H new ATOM 0 HG11 VAL A 48 0.179 0.404 -2.981 1.00 0.31 H new ATOM 0 HG12 VAL A 48 -1.510 0.815 -3.363 1.00 0.31 H new ATOM 0 HG13 VAL A 48 -0.283 0.803 -4.652 1.00 0.31 H new ATOM 0 HG21 VAL A 48 1.900 2.010 -2.981 1.00 0.39 H new ATOM 0 HG22 VAL A 48 1.542 2.539 -4.642 1.00 0.39 H new ATOM 0 HG23 VAL A 48 1.601 3.731 -3.321 1.00 0.39 H new ATOM 713 N ILE A 49 0.013 4.383 -6.168 1.00 0.22 N ATOM 714 CA ILE A 49 0.336 4.549 -7.577 1.00 0.21 C ATOM 715 C ILE A 49 1.783 4.127 -7.784 1.00 0.19 C ATOM 716 O ILE A 49 2.677 4.720 -7.176 1.00 0.29 O ATOM 717 CB ILE A 49 0.095 5.996 -8.049 1.00 0.25 C ATOM 718 CG1 ILE A 49 -1.279 6.535 -7.609 1.00 0.29 C ATOM 719 CG2 ILE A 49 0.190 6.067 -9.580 1.00 0.42 C ATOM 720 CD1 ILE A 49 -1.136 7.563 -6.489 1.00 1.26 C ATOM 0 H ILE A 49 0.470 5.075 -5.574 1.00 0.22 H new ATOM 0 HA ILE A 49 -0.320 3.921 -8.180 1.00 0.21 H new ATOM 0 HB ILE A 49 0.864 6.615 -7.587 1.00 0.25 H new ATOM 0 HG12 ILE A 49 -1.784 6.990 -8.461 1.00 0.29 H new ATOM 0 HG13 ILE A 49 -1.905 5.709 -7.271 1.00 0.29 H new ATOM 0 HG21 ILE A 49 0.019 7.092 -9.908 1.00 0.42 H new ATOM 0 HG22 ILE A 49 1.181 5.745 -9.898 1.00 0.42 H new ATOM 0 HG23 ILE A 49 -0.563 5.414 -10.022 1.00 0.42 H new ATOM 0 HD11 ILE A 49 -2.122 7.925 -6.200 1.00 1.26 H new ATOM 0 HD12 ILE A 49 -0.653 7.099 -5.629 1.00 1.26 H new ATOM 0 HD13 ILE A 49 -0.530 8.399 -6.838 1.00 1.26 H new ATOM 732 N TYR A 50 2.011 3.130 -8.641 1.00 0.17 N ATOM 733 CA TYR A 50 3.327 2.571 -8.914 1.00 0.16 C ATOM 734 C TYR A 50 3.453 2.170 -10.376 1.00 0.15 C ATOM 735 O TYR A 50 2.460 2.152 -11.111 1.00 0.16 O ATOM 736 CB TYR A 50 3.594 1.354 -8.014 1.00 0.19 C ATOM 737 CG TYR A 50 2.466 0.331 -7.962 1.00 0.20 C ATOM 738 CD1 TYR A 50 2.058 -0.359 -9.123 1.00 1.73 C ATOM 739 CD2 TYR A 50 1.877 0.005 -6.728 1.00 1.67 C ATOM 740 CE1 TYR A 50 1.070 -1.354 -9.050 1.00 1.73 C ATOM 741 CE2 TYR A 50 0.988 -1.079 -6.640 1.00 1.68 C ATOM 742 CZ TYR A 50 0.573 -1.751 -7.801 1.00 0.27 C ATOM 743 OH TYR A 50 -0.137 -2.912 -7.697 1.00 0.32 O ATOM 0 H TYR A 50 1.266 2.682 -9.174 1.00 0.17 H new ATOM 0 HA TYR A 50 4.069 3.340 -8.699 1.00 0.16 H new ATOM 0 HB2 TYR A 50 4.500 0.856 -8.361 1.00 0.19 H new ATOM 0 HB3 TYR A 50 3.792 1.706 -7.002 1.00 0.19 H new ATOM 0 HD1 TYR A 50 2.509 -0.120 -10.075 1.00 1.73 H new ATOM 0 HD2 TYR A 50 2.108 0.587 -5.848 1.00 1.67 H new ATOM 0 HE1 TYR A 50 0.694 -1.812 -9.953 1.00 1.73 H new ATOM 0 HE2 TYR A 50 0.622 -1.397 -5.675 1.00 1.68 H new ATOM 0 HH TYR A 50 -0.146 -3.207 -6.763 1.00 0.32 H new ATOM 753 N ASP A 51 4.681 1.816 -10.759 1.00 0.17 N ATOM 754 CA ASP A 51 5.061 1.472 -12.112 1.00 0.18 C ATOM 755 C ASP A 51 5.332 -0.029 -12.245 1.00 0.25 C ATOM 756 O ASP A 51 6.345 -0.494 -11.712 1.00 0.34 O ATOM 757 CB ASP A 51 6.320 2.276 -12.432 1.00 0.23 C ATOM 758 CG ASP A 51 6.676 2.153 -13.906 1.00 0.38 C ATOM 759 OD1 ASP A 51 5.748 1.877 -14.695 1.00 1.42 O ATOM 760 OD2 ASP A 51 7.872 2.304 -14.231 1.00 1.79 O ATOM 0 H ASP A 51 5.461 1.762 -10.103 1.00 0.17 H new ATOM 0 HA ASP A 51 4.256 1.708 -12.808 1.00 0.18 H new ATOM 0 HB2 ASP A 51 6.163 3.324 -12.177 1.00 0.23 H new ATOM 0 HB3 ASP A 51 7.150 1.920 -11.821 1.00 0.23 H new ATOM 765 N PRO A 52 4.508 -0.810 -12.970 1.00 0.29 N ATOM 766 CA PRO A 52 4.598 -2.268 -13.010 1.00 0.32 C ATOM 767 C PRO A 52 5.750 -2.767 -13.895 1.00 0.39 C ATOM 768 O PRO A 52 5.677 -3.858 -14.456 1.00 0.71 O ATOM 769 CB PRO A 52 3.230 -2.716 -13.528 1.00 0.40 C ATOM 770 CG PRO A 52 2.890 -1.613 -14.528 1.00 0.42 C ATOM 771 CD PRO A 52 3.443 -0.356 -13.853 1.00 0.35 C ATOM 0 HA PRO A 52 4.825 -2.688 -12.030 1.00 0.32 H new ATOM 0 HB2 PRO A 52 3.275 -3.696 -14.002 1.00 0.40 H new ATOM 0 HB3 PRO A 52 2.493 -2.782 -12.728 1.00 0.40 H new ATOM 0 HG2 PRO A 52 3.356 -1.789 -15.497 1.00 0.42 H new ATOM 0 HG3 PRO A 52 1.816 -1.540 -14.699 1.00 0.42 H new ATOM 0 HD2 PRO A 52 3.823 0.349 -14.592 1.00 0.35 H new ATOM 0 HD3 PRO A 52 2.664 0.160 -13.292 1.00 0.35 H new ATOM 779 N ALA A 53 6.825 -1.986 -13.993 1.00 0.31 N ATOM 780 CA ALA A 53 8.082 -2.374 -14.608 1.00 0.35 C ATOM 781 C ALA A 53 8.988 -2.872 -13.483 1.00 0.32 C ATOM 782 O ALA A 53 9.542 -3.966 -13.550 1.00 0.41 O ATOM 783 CB ALA A 53 8.680 -1.160 -15.327 1.00 0.39 C ATOM 0 H ALA A 53 6.839 -1.032 -13.632 1.00 0.31 H new ATOM 0 HA ALA A 53 7.956 -3.162 -15.350 1.00 0.35 H new ATOM 0 HB1 ALA A 53 9.625 -1.442 -15.792 1.00 0.39 H new ATOM 0 HB2 ALA A 53 7.987 -0.813 -16.094 1.00 0.39 H new ATOM 0 HB3 ALA A 53 8.854 -0.360 -14.607 1.00 0.39 H new ATOM 789 N GLU A 54 9.083 -2.053 -12.436 1.00 0.25 N ATOM 790 CA GLU A 54 9.816 -2.312 -11.209 1.00 0.23 C ATOM 791 C GLU A 54 8.878 -2.865 -10.130 1.00 0.24 C ATOM 792 O GLU A 54 9.235 -3.754 -9.359 1.00 0.37 O ATOM 793 CB GLU A 54 10.371 -0.966 -10.737 1.00 0.28 C ATOM 794 CG GLU A 54 11.519 -0.430 -11.607 1.00 0.40 C ATOM 795 CD GLU A 54 12.882 -0.823 -11.047 1.00 1.65 C ATOM 796 OE1 GLU A 54 13.164 -2.040 -11.036 1.00 2.87 O ATOM 797 OE2 GLU A 54 13.616 0.102 -10.633 1.00 2.62 O ATOM 0 H GLU A 54 8.623 -1.142 -12.426 1.00 0.25 H new ATOM 0 HA GLU A 54 10.606 -3.042 -11.385 1.00 0.23 H new ATOM 0 HB2 GLU A 54 9.563 -0.234 -10.726 1.00 0.28 H new ATOM 0 HB3 GLU A 54 10.723 -1.068 -9.710 1.00 0.28 H new ATOM 0 HG2 GLU A 54 11.417 -0.816 -12.621 1.00 0.40 H new ATOM 0 HG3 GLU A 54 11.451 0.656 -11.671 1.00 0.40 H new ATOM 804 N THR A 55 7.693 -2.261 -10.014 1.00 0.26 N ATOM 805 CA THR A 55 6.838 -2.301 -8.841 1.00 0.23 C ATOM 806 C THR A 55 5.369 -2.577 -9.086 1.00 0.32 C ATOM 807 O THR A 55 4.677 -1.825 -9.765 1.00 0.53 O ATOM 808 CB THR A 55 7.001 -1.012 -8.060 1.00 0.32 C ATOM 809 OG1 THR A 55 8.361 -0.859 -7.746 1.00 0.51 O ATOM 810 CG2 THR A 55 6.309 -1.029 -6.707 1.00 0.39 C ATOM 0 H THR A 55 7.292 -1.709 -10.772 1.00 0.26 H new ATOM 0 HA THR A 55 7.179 -3.168 -8.275 1.00 0.23 H new ATOM 0 HB THR A 55 6.577 -0.226 -8.685 1.00 0.32 H new ATOM 0 HG1 THR A 55 8.467 -0.131 -7.098 1.00 0.51 H new ATOM 0 HG21 THR A 55 6.468 -0.075 -6.205 1.00 0.39 H new ATOM 0 HG22 THR A 55 5.240 -1.192 -6.847 1.00 0.39 H new ATOM 0 HG23 THR A 55 6.722 -1.833 -6.097 1.00 0.39 H new ATOM 818 N GLY A 56 4.863 -3.578 -8.370 1.00 0.29 N ATOM 819 CA GLY A 56 3.465 -3.635 -8.031 1.00 0.47 C ATOM 820 C GLY A 56 3.293 -4.504 -6.797 1.00 0.34 C ATOM 821 O GLY A 56 4.257 -4.816 -6.095 1.00 0.30 O ATOM 0 H GLY A 56 5.414 -4.360 -8.017 1.00 0.29 H new ATOM 0 HA2 GLY A 56 3.082 -2.632 -7.842 1.00 0.47 H new ATOM 0 HA3 GLY A 56 2.892 -4.044 -8.863 1.00 0.47 H new ATOM 825 N THR A 57 2.043 -4.901 -6.581 1.00 0.35 N ATOM 826 CA THR A 57 1.536 -5.780 -5.542 1.00 0.33 C ATOM 827 C THR A 57 2.524 -6.898 -5.172 1.00 0.30 C ATOM 828 O THR A 57 2.717 -7.164 -3.990 1.00 0.30 O ATOM 829 CB THR A 57 0.113 -6.229 -5.929 1.00 0.40 C ATOM 830 OG1 THR A 57 -0.401 -7.184 -5.033 1.00 0.67 O ATOM 831 CG2 THR A 57 -0.043 -6.719 -7.373 1.00 0.39 C ATOM 0 H THR A 57 1.290 -4.582 -7.190 1.00 0.35 H new ATOM 0 HA THR A 57 1.447 -5.242 -4.598 1.00 0.33 H new ATOM 0 HB THR A 57 -0.476 -5.315 -5.859 1.00 0.40 H new ATOM 0 HG1 THR A 57 -1.304 -7.441 -5.312 1.00 0.67 H new ATOM 0 HG21 THR A 57 -1.078 -7.012 -7.548 1.00 0.39 H new ATOM 0 HG22 THR A 57 0.228 -5.918 -8.060 1.00 0.39 H new ATOM 0 HG23 THR A 57 0.610 -7.576 -7.539 1.00 0.39 H new ATOM 839 N ALA A 58 3.206 -7.498 -6.154 1.00 0.33 N ATOM 840 CA ALA A 58 4.274 -8.470 -5.929 1.00 0.37 C ATOM 841 C ALA A 58 5.278 -8.029 -4.853 1.00 0.33 C ATOM 842 O ALA A 58 5.555 -8.776 -3.923 1.00 0.40 O ATOM 843 CB ALA A 58 5.010 -8.731 -7.248 1.00 0.43 C ATOM 0 H ALA A 58 3.026 -7.317 -7.142 1.00 0.33 H new ATOM 0 HA ALA A 58 3.804 -9.382 -5.562 1.00 0.37 H new ATOM 0 HB1 ALA A 58 5.807 -9.456 -7.083 1.00 0.43 H new ATOM 0 HB2 ALA A 58 4.309 -9.124 -7.984 1.00 0.43 H new ATOM 0 HB3 ALA A 58 5.438 -7.799 -7.616 1.00 0.43 H new ATOM 849 N ALA A 59 5.866 -6.840 -4.997 1.00 0.28 N ATOM 850 CA ALA A 59 6.826 -6.331 -4.018 1.00 0.23 C ATOM 851 C ALA A 59 6.090 -5.897 -2.757 1.00 0.19 C ATOM 852 O ALA A 59 6.584 -5.981 -1.630 1.00 0.20 O ATOM 853 CB ALA A 59 7.607 -5.160 -4.623 1.00 0.34 C ATOM 0 H ALA A 59 5.694 -6.212 -5.782 1.00 0.28 H new ATOM 0 HA ALA A 59 7.532 -7.118 -3.753 1.00 0.23 H new ATOM 0 HB1 ALA A 59 8.322 -4.783 -3.892 1.00 0.34 H new ATOM 0 HB2 ALA A 59 8.141 -5.499 -5.511 1.00 0.34 H new ATOM 0 HB3 ALA A 59 6.915 -4.364 -4.898 1.00 0.34 H new ATOM 859 N ILE A 60 4.912 -5.336 -3.003 1.00 0.19 N ATOM 860 CA ILE A 60 4.167 -4.559 -2.053 1.00 0.18 C ATOM 861 C ILE A 60 3.602 -5.445 -0.950 1.00 0.18 C ATOM 862 O ILE A 60 3.848 -5.136 0.208 1.00 0.29 O ATOM 863 CB ILE A 60 3.180 -3.678 -2.839 1.00 0.25 C ATOM 864 CG1 ILE A 60 3.833 -2.303 -3.009 1.00 0.38 C ATOM 865 CG2 ILE A 60 1.783 -3.581 -2.224 1.00 0.27 C ATOM 866 CD1 ILE A 60 3.353 -1.553 -4.246 1.00 0.54 C ATOM 0 H ILE A 60 4.443 -5.420 -3.905 1.00 0.19 H new ATOM 0 HA ILE A 60 4.789 -3.865 -1.488 1.00 0.18 H new ATOM 0 HB ILE A 60 2.994 -4.146 -3.805 1.00 0.25 H new ATOM 0 HG12 ILE A 60 3.627 -1.700 -2.125 1.00 0.38 H new ATOM 0 HG13 ILE A 60 4.914 -2.427 -3.065 1.00 0.38 H new ATOM 0 HG21 ILE A 60 1.156 -2.941 -2.844 1.00 0.27 H new ATOM 0 HG22 ILE A 60 1.341 -4.576 -2.166 1.00 0.27 H new ATOM 0 HG23 ILE A 60 1.855 -3.157 -1.222 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.856 -0.588 -4.304 1.00 0.54 H new ATOM 0 HD12 ILE A 60 3.583 -2.137 -5.137 1.00 0.54 H new ATOM 0 HD13 ILE A 60 2.276 -1.398 -4.182 1.00 0.54 H new ATOM 878 N GLN A 61 2.920 -6.555 -1.256 1.00 0.16 N ATOM 879 CA GLN A 61 2.508 -7.500 -0.216 1.00 0.17 C ATOM 880 C GLN A 61 3.724 -7.868 0.633 1.00 0.17 C ATOM 881 O GLN A 61 3.710 -7.755 1.854 1.00 0.19 O ATOM 882 CB GLN A 61 1.928 -8.791 -0.806 1.00 0.21 C ATOM 883 CG GLN A 61 0.400 -8.874 -0.823 1.00 0.29 C ATOM 884 CD GLN A 61 -0.207 -8.281 -2.080 1.00 0.36 C ATOM 885 OE1 GLN A 61 -0.872 -8.979 -2.838 1.00 0.76 O ATOM 886 NE2 GLN A 61 0.030 -7.000 -2.325 1.00 0.30 N ATOM 0 H GLN A 61 2.645 -6.817 -2.203 1.00 0.16 H new ATOM 0 HA GLN A 61 1.735 -7.016 0.381 1.00 0.17 H new ATOM 0 HB2 GLN A 61 2.293 -8.900 -1.827 1.00 0.21 H new ATOM 0 HB3 GLN A 61 2.315 -9.637 -0.237 1.00 0.21 H new ATOM 0 HG2 GLN A 61 0.096 -9.917 -0.736 1.00 0.29 H new ATOM 0 HG3 GLN A 61 0.003 -8.352 0.048 1.00 0.29 H new ATOM 0 HE21 GLN A 61 0.588 -6.450 -1.671 1.00 0.30 H new ATOM 0 HE22 GLN A 61 -0.345 -6.564 -3.167 1.00 0.30 H new ATOM 895 N GLU A 62 4.783 -8.290 -0.048 1.00 0.18 N ATOM 896 CA GLU A 62 6.021 -8.730 0.548 1.00 0.23 C ATOM 897 C GLU A 62 6.548 -7.742 1.583 1.00 0.26 C ATOM 898 O GLU A 62 7.073 -8.139 2.626 1.00 0.52 O ATOM 899 CB GLU A 62 7.031 -8.957 -0.597 1.00 0.35 C ATOM 900 CG GLU A 62 7.523 -10.404 -0.672 1.00 0.86 C ATOM 901 CD GLU A 62 6.401 -11.405 -0.942 1.00 3.53 C ATOM 902 OE1 GLU A 62 5.283 -10.951 -1.276 1.00 5.04 O ATOM 903 OE2 GLU A 62 6.693 -12.610 -0.802 1.00 4.47 O ATOM 0 H GLU A 62 4.795 -8.333 -1.067 1.00 0.18 H new ATOM 0 HA GLU A 62 5.858 -9.658 1.096 1.00 0.23 H new ATOM 0 HB2 GLU A 62 6.566 -8.686 -1.545 1.00 0.35 H new ATOM 0 HB3 GLU A 62 7.885 -8.294 -0.460 1.00 0.35 H new ATOM 0 HG2 GLU A 62 8.272 -10.486 -1.459 1.00 0.86 H new ATOM 0 HG3 GLU A 62 8.015 -10.663 0.265 1.00 0.86 H new ATOM 910 N LYS A 63 6.555 -6.446 1.280 1.00 0.20 N ATOM 911 CA LYS A 63 6.892 -5.445 2.273 1.00 0.21 C ATOM 912 C LYS A 63 5.783 -5.241 3.312 1.00 0.21 C ATOM 913 O LYS A 63 6.081 -5.178 4.502 1.00 0.25 O ATOM 914 CB LYS A 63 7.382 -4.178 1.577 1.00 0.24 C ATOM 915 CG LYS A 63 8.891 -3.992 1.810 1.00 0.33 C ATOM 916 CD LYS A 63 9.757 -5.141 1.248 1.00 0.46 C ATOM 917 CE LYS A 63 10.268 -6.170 2.288 1.00 1.21 C ATOM 918 NZ LYS A 63 9.672 -7.521 2.149 1.00 2.99 N ATOM 0 H LYS A 63 6.331 -6.072 0.358 1.00 0.20 H new ATOM 0 HA LYS A 63 7.724 -5.802 2.880 1.00 0.21 H new ATOM 0 HB2 LYS A 63 7.177 -4.239 0.508 1.00 0.24 H new ATOM 0 HB3 LYS A 63 6.839 -3.313 1.957 1.00 0.24 H new ATOM 0 HG2 LYS A 63 9.207 -3.055 1.352 1.00 0.33 H new ATOM 0 HG3 LYS A 63 9.075 -3.901 2.881 1.00 0.33 H new ATOM 0 HD2 LYS A 63 9.177 -5.672 0.493 1.00 0.46 H new ATOM 0 HD3 LYS A 63 10.618 -4.707 0.741 1.00 0.46 H new ATOM 0 HE2 LYS A 63 11.351 -6.252 2.199 1.00 1.21 H new ATOM 0 HE3 LYS A 63 10.058 -5.793 3.289 1.00 1.21 H new ATOM 0 HZ1 LYS A 63 10.341 -8.234 2.503 1.00 2.99 H new ATOM 0 HZ2 LYS A 63 8.791 -7.570 2.699 1.00 2.99 H new ATOM 0 HZ3 LYS A 63 9.466 -7.708 1.147 1.00 2.99 H new ATOM 932 N ILE A 64 4.523 -5.152 2.889 1.00 0.18 N ATOM 933 CA ILE A 64 3.367 -4.932 3.748 1.00 0.16 C ATOM 934 C ILE A 64 3.353 -5.941 4.911 1.00 0.16 C ATOM 935 O ILE A 64 3.161 -5.568 6.070 1.00 0.19 O ATOM 936 CB ILE A 64 2.080 -4.997 2.905 1.00 0.18 C ATOM 937 CG1 ILE A 64 1.930 -3.781 1.977 1.00 0.29 C ATOM 938 CG2 ILE A 64 0.850 -5.122 3.801 1.00 0.25 C ATOM 939 CD1 ILE A 64 1.268 -2.607 2.680 1.00 0.43 C ATOM 0 H ILE A 64 4.273 -5.234 1.903 1.00 0.18 H new ATOM 0 HA ILE A 64 3.427 -3.939 4.195 1.00 0.16 H new ATOM 0 HB ILE A 64 2.160 -5.885 2.278 1.00 0.18 H new ATOM 0 HG12 ILE A 64 2.912 -3.479 1.613 1.00 0.29 H new ATOM 0 HG13 ILE A 64 1.340 -4.061 1.105 1.00 0.29 H new ATOM 0 HG21 ILE A 64 -0.047 -5.166 3.183 1.00 0.25 H new ATOM 0 HG22 ILE A 64 0.925 -6.031 4.397 1.00 0.25 H new ATOM 0 HG23 ILE A 64 0.793 -4.258 4.463 1.00 0.25 H new ATOM 0 HD11 ILE A 64 1.182 -1.770 1.987 1.00 0.43 H new ATOM 0 HD12 ILE A 64 0.275 -2.900 3.020 1.00 0.43 H new ATOM 0 HD13 ILE A 64 1.872 -2.309 3.537 1.00 0.43 H new ATOM 951 N GLU A 65 3.610 -7.217 4.608 1.00 0.16 N ATOM 952 CA GLU A 65 3.788 -8.246 5.621 1.00 0.18 C ATOM 953 C GLU A 65 4.791 -7.780 6.685 1.00 0.23 C ATOM 954 O GLU A 65 4.536 -7.858 7.884 1.00 0.28 O ATOM 955 CB GLU A 65 4.237 -9.528 4.911 1.00 0.18 C ATOM 956 CG GLU A 65 3.048 -10.323 4.352 1.00 0.19 C ATOM 957 CD GLU A 65 2.528 -11.353 5.351 1.00 0.29 C ATOM 958 OE1 GLU A 65 2.477 -11.014 6.552 1.00 1.36 O ATOM 959 OE2 GLU A 65 2.208 -12.472 4.895 1.00 1.56 O ATOM 0 H GLU A 65 3.699 -7.559 3.651 1.00 0.16 H new ATOM 0 HA GLU A 65 2.855 -8.444 6.149 1.00 0.18 H new ATOM 0 HB2 GLU A 65 4.917 -9.273 4.098 1.00 0.18 H new ATOM 0 HB3 GLU A 65 4.795 -10.153 5.609 1.00 0.18 H new ATOM 0 HG2 GLU A 65 2.244 -9.636 4.089 1.00 0.19 H new ATOM 0 HG3 GLU A 65 3.349 -10.828 3.434 1.00 0.19 H new ATOM 966 N LYS A 66 5.934 -7.246 6.252 1.00 0.24 N ATOM 967 CA LYS A 66 7.008 -6.799 7.121 1.00 0.28 C ATOM 968 C LYS A 66 6.649 -5.518 7.875 1.00 0.26 C ATOM 969 O LYS A 66 7.113 -5.320 8.998 1.00 0.29 O ATOM 970 CB LYS A 66 8.283 -6.618 6.293 1.00 0.32 C ATOM 971 CG LYS A 66 9.487 -7.353 6.905 1.00 0.62 C ATOM 972 CD LYS A 66 9.859 -6.909 8.330 1.00 2.23 C ATOM 973 CE LYS A 66 10.365 -5.460 8.377 1.00 4.01 C ATOM 974 NZ LYS A 66 10.717 -5.050 9.753 1.00 5.52 N ATOM 0 H LYS A 66 6.137 -7.112 5.262 1.00 0.24 H new ATOM 0 HA LYS A 66 7.175 -7.562 7.882 1.00 0.28 H new ATOM 0 HB2 LYS A 66 8.112 -6.986 5.281 1.00 0.32 H new ATOM 0 HB3 LYS A 66 8.512 -5.556 6.211 1.00 0.32 H new ATOM 0 HG2 LYS A 66 9.274 -8.422 6.917 1.00 0.62 H new ATOM 0 HG3 LYS A 66 10.351 -7.207 6.257 1.00 0.62 H new ATOM 0 HD2 LYS A 66 8.988 -7.008 8.978 1.00 2.23 H new ATOM 0 HD3 LYS A 66 10.628 -7.573 8.726 1.00 2.23 H new ATOM 0 HE2 LYS A 66 11.238 -5.358 7.732 1.00 4.01 H new ATOM 0 HE3 LYS A 66 9.598 -4.793 7.983 1.00 4.01 H new ATOM 0 HZ1 LYS A 66 11.055 -4.066 9.747 1.00 5.52 H new ATOM 0 HZ2 LYS A 66 9.878 -5.124 10.363 1.00 5.52 H new ATOM 0 HZ3 LYS A 66 11.467 -5.671 10.119 1.00 5.52 H new ATOM 988 N LEU A 67 5.850 -4.633 7.263 1.00 0.25 N ATOM 989 CA LEU A 67 5.220 -3.533 7.979 1.00 0.27 C ATOM 990 C LEU A 67 4.404 -4.069 9.165 1.00 0.27 C ATOM 991 O LEU A 67 4.222 -3.351 10.145 1.00 0.29 O ATOM 992 CB LEU A 67 4.349 -2.700 7.022 1.00 0.27 C ATOM 993 CG LEU A 67 5.076 -1.604 6.230 1.00 0.34 C ATOM 994 CD1 LEU A 67 5.592 -0.498 7.153 1.00 0.93 C ATOM 995 CD2 LEU A 67 6.202 -2.098 5.322 1.00 0.58 C ATOM 0 H LEU A 67 5.628 -4.665 6.268 1.00 0.25 H new ATOM 0 HA LEU A 67 5.994 -2.877 8.377 1.00 0.27 H new ATOM 0 HB2 LEU A 67 3.873 -3.378 6.313 1.00 0.27 H new ATOM 0 HB3 LEU A 67 3.552 -2.234 7.601 1.00 0.27 H new ATOM 0 HG LEU A 67 4.313 -1.204 5.562 1.00 0.34 H new ATOM 0 HD11 LEU A 67 6.102 0.262 6.561 1.00 0.93 H new ATOM 0 HD12 LEU A 67 4.753 -0.044 7.681 1.00 0.93 H new ATOM 0 HD13 LEU A 67 6.289 -0.923 7.875 1.00 0.93 H new ATOM 0 HD21 LEU A 67 6.652 -1.250 4.807 1.00 0.58 H new ATOM 0 HD22 LEU A 67 6.959 -2.602 5.923 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.798 -2.796 4.588 1.00 0.58 H new ATOM 1007 N GLY A 68 3.943 -5.323 9.092 1.00 0.29 N ATOM 1008 CA GLY A 68 3.274 -6.021 10.180 1.00 0.31 C ATOM 1009 C GLY A 68 1.771 -6.070 9.948 1.00 0.32 C ATOM 1010 O GLY A 68 1.002 -6.080 10.907 1.00 0.37 O ATOM 0 H GLY A 68 4.031 -5.890 8.249 1.00 0.29 H new ATOM 0 HA2 GLY A 68 3.667 -7.034 10.264 1.00 0.31 H new ATOM 0 HA3 GLY A 68 3.484 -5.519 11.124 1.00 0.31 H new ATOM 1014 N TYR A 69 1.346 -6.072 8.681 1.00 0.29 N ATOM 1015 CA TYR A 69 -0.067 -6.067 8.319 1.00 0.32 C ATOM 1016 C TYR A 69 -0.246 -6.937 7.095 1.00 0.29 C ATOM 1017 O TYR A 69 0.726 -7.273 6.426 1.00 0.29 O ATOM 1018 CB TYR A 69 -0.527 -4.635 8.024 1.00 0.32 C ATOM 1019 CG TYR A 69 -0.319 -3.674 9.174 1.00 0.34 C ATOM 1020 CD1 TYR A 69 0.943 -3.089 9.369 1.00 1.48 C ATOM 1021 CD2 TYR A 69 -1.385 -3.328 10.021 1.00 1.71 C ATOM 1022 CE1 TYR A 69 1.148 -2.181 10.418 1.00 1.49 C ATOM 1023 CE2 TYR A 69 -1.187 -2.397 11.056 1.00 1.74 C ATOM 1024 CZ TYR A 69 0.082 -1.829 11.259 1.00 0.47 C ATOM 1025 OH TYR A 69 0.263 -0.884 12.224 1.00 0.58 O ATOM 0 H TYR A 69 1.976 -6.077 7.879 1.00 0.29 H new ATOM 0 HA TYR A 69 -0.668 -6.455 9.142 1.00 0.32 H new ATOM 0 HB2 TYR A 69 0.011 -4.264 7.152 1.00 0.32 H new ATOM 0 HB3 TYR A 69 -1.585 -4.650 7.763 1.00 0.32 H new ATOM 0 HD1 TYR A 69 1.759 -3.340 8.708 1.00 1.48 H new ATOM 0 HD2 TYR A 69 -2.357 -3.777 9.877 1.00 1.71 H new ATOM 0 HE1 TYR A 69 2.126 -1.753 10.578 1.00 1.49 H new ATOM 0 HE2 TYR A 69 -2.011 -2.118 11.696 1.00 1.74 H new ATOM 0 HH TYR A 69 -0.574 -0.757 12.718 1.00 0.58 H new ATOM 1035 N HIS A 70 -1.493 -7.286 6.797 1.00 0.34 N ATOM 1036 CA HIS A 70 -1.827 -8.077 5.632 1.00 0.34 C ATOM 1037 C HIS A 70 -2.784 -7.233 4.804 1.00 0.30 C ATOM 1038 O HIS A 70 -3.797 -6.757 5.318 1.00 0.34 O ATOM 1039 CB HIS A 70 -2.404 -9.427 6.077 1.00 0.47 C ATOM 1040 CG HIS A 70 -3.541 -9.937 5.232 1.00 1.76 C ATOM 1041 ND1 HIS A 70 -3.531 -10.192 3.877 1.00 3.33 N ATOM 1042 CD2 HIS A 70 -4.820 -10.109 5.678 1.00 2.22 C ATOM 1043 CE1 HIS A 70 -4.782 -10.536 3.530 1.00 4.30 C ATOM 1044 NE2 HIS A 70 -5.606 -10.498 4.591 1.00 3.62 N ATOM 0 H HIS A 70 -2.300 -7.024 7.363 1.00 0.34 H new ATOM 0 HA HIS A 70 -0.962 -8.324 5.017 1.00 0.34 H new ATOM 0 HB2 HIS A 70 -1.604 -10.168 6.071 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -2.747 -9.337 7.108 1.00 0.47 H new ATOM 0 HD2 HIS A 70 -5.163 -9.969 6.692 1.00 2.22 H new ATOM 0 HE1 HIS A 70 -5.086 -10.807 2.530 1.00 4.30 H new ATOM 0 HE2 HIS A 70 -6.604 -10.710 4.600 1.00 3.62 H new ATOM 1052 N VAL A 71 -2.436 -7.035 3.535 1.00 0.29 N ATOM 1053 CA VAL A 71 -3.319 -6.396 2.565 1.00 0.27 C ATOM 1054 C VAL A 71 -4.057 -7.462 1.751 1.00 0.32 C ATOM 1055 O VAL A 71 -3.478 -8.513 1.469 1.00 0.46 O ATOM 1056 CB VAL A 71 -2.523 -5.386 1.726 1.00 0.30 C ATOM 1057 CG1 VAL A 71 -1.530 -6.038 0.759 1.00 0.41 C ATOM 1058 CG2 VAL A 71 -3.444 -4.432 0.975 1.00 0.38 C ATOM 0 H VAL A 71 -1.533 -7.314 3.151 1.00 0.29 H new ATOM 0 HA VAL A 71 -4.096 -5.819 3.066 1.00 0.27 H new ATOM 0 HB VAL A 71 -1.933 -4.817 2.444 1.00 0.30 H new ATOM 0 HG11 VAL A 71 -1.004 -5.264 0.200 1.00 0.41 H new ATOM 0 HG12 VAL A 71 -0.810 -6.631 1.322 1.00 0.41 H new ATOM 0 HG13 VAL A 71 -2.068 -6.684 0.065 1.00 0.41 H new ATOM 0 HG21 VAL A 71 -2.846 -3.732 0.392 1.00 0.38 H new ATOM 0 HG22 VAL A 71 -4.090 -5.001 0.307 1.00 0.38 H new ATOM 0 HG23 VAL A 71 -4.056 -3.880 1.688 1.00 0.38 H new ATOM 1068 N VAL A 72 -5.328 -7.220 1.410 1.00 0.28 N ATOM 1069 CA VAL A 72 -6.102 -8.117 0.547 1.00 0.36 C ATOM 1070 C VAL A 72 -6.067 -7.596 -0.889 1.00 0.52 C ATOM 1071 O VAL A 72 -5.783 -6.424 -1.102 1.00 1.04 O ATOM 1072 CB VAL A 72 -7.562 -8.250 1.017 1.00 0.61 C ATOM 1073 CG1 VAL A 72 -7.690 -8.977 2.352 1.00 0.86 C ATOM 1074 CG2 VAL A 72 -8.271 -6.912 1.189 1.00 1.18 C ATOM 0 H VAL A 72 -5.847 -6.400 1.724 1.00 0.28 H new ATOM 0 HA VAL A 72 -5.648 -9.107 0.599 1.00 0.36 H new ATOM 0 HB VAL A 72 -8.030 -8.822 0.216 1.00 0.61 H new ATOM 0 HG11 VAL A 72 -8.741 -9.041 2.632 1.00 0.86 H new ATOM 0 HG12 VAL A 72 -7.278 -9.982 2.260 1.00 0.86 H new ATOM 0 HG13 VAL A 72 -7.143 -8.429 3.119 1.00 0.86 H new ATOM 0 HG21 VAL A 72 -9.295 -7.083 1.522 1.00 1.18 H new ATOM 0 HG22 VAL A 72 -7.743 -6.313 1.932 1.00 1.18 H new ATOM 0 HG23 VAL A 72 -8.283 -6.381 0.237 1.00 1.18 H new ATOM 1084 N ILE A 73 -6.388 -8.449 -1.869 1.00 0.50 N ATOM 1085 CA ILE A 73 -6.544 -8.062 -3.267 1.00 0.53 C ATOM 1086 C ILE A 73 -7.923 -8.524 -3.736 1.00 0.63 C ATOM 1087 O ILE A 73 -8.058 -9.487 -4.490 1.00 0.97 O ATOM 1088 CB ILE A 73 -5.399 -8.641 -4.119 1.00 0.83 C ATOM 1089 CG1 ILE A 73 -4.014 -8.265 -3.559 1.00 1.07 C ATOM 1090 CG2 ILE A 73 -5.515 -8.185 -5.584 1.00 0.92 C ATOM 1091 CD1 ILE A 73 -3.662 -6.780 -3.708 1.00 0.69 C ATOM 0 H ILE A 73 -6.548 -9.443 -1.705 1.00 0.50 H new ATOM 0 HA ILE A 73 -6.484 -6.979 -3.380 1.00 0.53 H new ATOM 0 HB ILE A 73 -5.494 -9.726 -4.077 1.00 0.83 H new ATOM 0 HG12 ILE A 73 -3.976 -8.532 -2.503 1.00 1.07 H new ATOM 0 HG13 ILE A 73 -3.255 -8.860 -4.066 1.00 1.07 H new ATOM 0 HG21 ILE A 73 -4.694 -8.608 -6.163 1.00 0.92 H new ATOM 0 HG22 ILE A 73 -6.464 -8.526 -5.997 1.00 0.92 H new ATOM 0 HG23 ILE A 73 -5.469 -7.097 -5.631 1.00 0.92 H new ATOM 0 HD11 ILE A 73 -2.672 -6.597 -3.290 1.00 0.69 H new ATOM 0 HD12 ILE A 73 -3.666 -6.509 -4.764 1.00 0.69 H new ATOM 0 HD13 ILE A 73 -4.398 -6.177 -3.176 1.00 0.69 H new ATOM 1103 N GLU A 74 -8.950 -7.806 -3.286 1.00 0.74 N ATOM 1104 CA GLU A 74 -10.307 -7.923 -3.788 1.00 1.11 C ATOM 1105 C GLU A 74 -10.719 -6.513 -4.205 1.00 1.56 C ATOM 1106 O GLU A 74 -11.164 -5.714 -3.387 1.00 2.06 O ATOM 1107 CB GLU A 74 -11.214 -8.585 -2.735 1.00 1.63 C ATOM 1108 CG GLU A 74 -11.880 -9.838 -3.326 1.00 2.56 C ATOM 1109 CD GLU A 74 -12.618 -10.657 -2.276 1.00 3.43 C ATOM 1110 OE1 GLU A 74 -13.278 -10.030 -1.422 1.00 3.76 O ATOM 1111 OE2 GLU A 74 -12.510 -11.900 -2.355 1.00 4.49 O ATOM 0 H GLU A 74 -8.854 -7.112 -2.545 1.00 0.74 H new ATOM 0 HA GLU A 74 -10.394 -8.580 -4.654 1.00 1.11 H new ATOM 0 HB2 GLU A 74 -10.628 -8.855 -1.857 1.00 1.63 H new ATOM 0 HB3 GLU A 74 -11.976 -7.879 -2.405 1.00 1.63 H new ATOM 0 HG2 GLU A 74 -12.580 -9.540 -4.107 1.00 2.56 H new ATOM 0 HG3 GLU A 74 -11.120 -10.460 -3.799 1.00 2.56 H new ATOM 1118 N GLY A 75 -10.453 -6.182 -5.468 1.00 2.24 N ATOM 1119 CA GLY A 75 -10.653 -4.857 -6.027 1.00 3.18 C ATOM 1120 C GLY A 75 -9.957 -4.806 -7.383 1.00 3.44 C ATOM 1121 O GLY A 75 -8.771 -4.495 -7.457 1.00 4.85 O ATOM 0 H GLY A 75 -10.083 -6.850 -6.144 1.00 2.24 H new ATOM 0 HA2 GLY A 75 -11.717 -4.647 -6.137 1.00 3.18 H new ATOM 0 HA3 GLY A 75 -10.245 -4.097 -5.361 1.00 3.18 H new ATOM 1125 N ARG A 76 -10.685 -5.176 -8.438 1.00 2.96 N ATOM 1126 CA ARG A 76 -10.286 -4.960 -9.818 1.00 3.61 C ATOM 1127 C ARG A 76 -11.122 -3.802 -10.352 1.00 4.96 C ATOM 1128 O ARG A 76 -12.241 -3.632 -9.814 1.00 5.81 O ATOM 1129 CB ARG A 76 -10.553 -6.206 -10.672 1.00 3.70 C ATOM 1130 CG ARG A 76 -9.838 -7.469 -10.171 1.00 4.30 C ATOM 1131 CD ARG A 76 -10.789 -8.379 -9.376 1.00 5.44 C ATOM 1132 NE ARG A 76 -10.158 -9.662 -9.022 1.00 6.67 N ATOM 1133 CZ ARG A 76 -9.979 -10.697 -9.862 1.00 7.77 C ATOM 1134 NH1 ARG A 76 -10.345 -10.585 -11.144 1.00 7.76 N ATOM 1135 NH2 ARG A 76 -9.432 -11.834 -9.419 1.00 9.25 N ATOM 1136 OXT ARG A 76 -10.646 -3.140 -11.298 1.00 5.87 O ATOM 0 H ARG A 76 -11.587 -5.644 -8.348 1.00 2.96 H new ATOM 0 HA ARG A 76 -9.219 -4.744 -9.864 1.00 3.61 H new ATOM 0 HB2 ARG A 76 -11.626 -6.394 -10.697 1.00 3.70 H new ATOM 0 HB3 ARG A 76 -10.240 -6.006 -11.697 1.00 3.70 H new ATOM 0 HG2 ARG A 76 -9.432 -8.019 -11.020 1.00 4.30 H new ATOM 0 HG3 ARG A 76 -8.994 -7.185 -9.542 1.00 4.30 H new ATOM 0 HD2 ARG A 76 -11.105 -7.867 -8.467 1.00 5.44 H new ATOM 0 HD3 ARG A 76 -11.687 -8.567 -9.964 1.00 5.44 H new ATOM 0 HE ARG A 76 -9.830 -9.775 -8.063 1.00 6.67 H new ATOM 0 HH11 ARG A 76 -10.759 -9.716 -11.482 1.00 7.76 H new ATOM 0 HH12 ARG A 76 -10.210 -11.368 -11.783 1.00 7.76 H new ATOM 0 HH21 ARG A 76 -9.150 -11.917 -8.442 1.00 9.25 H new ATOM 0 HH22 ARG A 76 -9.297 -12.618 -10.058 1.00 9.25 H new TER 1150 ARG A 76