USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 660 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 67 ASN : amide:sc= 1.73 K(o=2.3,f=0.78) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.603 USER MOD Set 2.1: A 8 ASN : amide:sc= 2.5 K(o=3.8,f=-7.1!) USER MOD Set 2.2: A 51 ASN : amide:sc= 1.27 K(o=3.8,f=1.3) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0401 (180deg=-0.355) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.119 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0435 (180deg=-0.271) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 22:sc= 0.489 USER MOD Single : A 14 MET CE :methyl 144:sc= -0.891 (180deg=-2.37!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.43) USER MOD Single : A 21 SER OG : rot -32:sc= 1.29 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 0.712! (180deg=-0.0961!) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.64 (180deg=1.61) USER MOD Single : A 30 THR OG1 : rot 77:sc= 0.089 USER MOD Single : A 32 ASN : amide:sc= 0.0693 K(o=0.069,f=-1.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 24:sc= 1.99 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.19) USER MOD Single : A 49 THR OG1 : rot 43:sc= 0.0584 USER MOD Single : A 65 MET CE :methyl 159:sc= -2.74! (180deg=-3!) USER MOD Single : A 66 THR OG1 : rot -45:sc= 0.731 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -130:sc= -0.281 USER MOD Single : A 70 THR OG1 : rot 135:sc= 1.25 USER MOD Single : A 71 SER OG : rot 180:sc= -0.19 USER MOD Single : A 82 SER OG : rot 40:sc= 0.033 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.545 6.432 6.275 1.00 0.00 N ATOM 2 CA MET A 1 8.454 5.760 5.537 1.00 0.00 C ATOM 3 C MET A 1 8.838 5.553 4.080 1.00 0.00 C ATOM 4 O MET A 1 9.859 6.062 3.616 1.00 0.00 O ATOM 5 CB MET A 1 7.166 6.592 5.599 1.00 0.00 C ATOM 6 CG MET A 1 7.220 7.867 4.766 1.00 0.00 C ATOM 7 SD MET A 1 5.673 8.795 4.795 1.00 0.00 S ATOM 8 CE MET A 1 5.620 9.311 6.509 1.00 0.00 C ATOM 0 H1 MET A 1 9.934 5.782 6.987 1.00 0.00 H new ATOM 0 H2 MET A 1 10.296 6.707 5.610 1.00 0.00 H new ATOM 0 H3 MET A 1 9.173 7.281 6.747 1.00 0.00 H new ATOM 0 HA MET A 1 8.284 4.792 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.332 5.980 5.257 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.963 6.855 6.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.025 8.502 5.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.464 7.611 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.880 10.103 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.347 8.462 7.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.600 9.682 6.808 1.00 0.00 H new ATOM 20 N VAL A 2 8.010 4.807 3.369 1.00 0.00 N ATOM 21 CA VAL A 2 8.149 4.661 1.930 1.00 0.00 C ATOM 22 C VAL A 2 7.376 5.779 1.237 1.00 0.00 C ATOM 23 O VAL A 2 6.262 6.108 1.644 1.00 0.00 O ATOM 24 CB VAL A 2 7.627 3.286 1.458 1.00 0.00 C ATOM 25 CG1 VAL A 2 7.606 3.194 -0.059 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.475 2.169 2.046 1.00 0.00 C ATOM 0 H VAL A 2 7.228 4.289 3.769 1.00 0.00 H new ATOM 0 HA VAL A 2 9.206 4.725 1.671 1.00 0.00 H new ATOM 0 HB VAL A 2 6.602 3.175 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.234 2.214 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.954 3.969 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.616 3.333 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.095 1.206 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.509 2.287 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.430 2.212 3.134 1.00 0.00 H new ATOM 36 N LYS A 3 7.969 6.371 0.213 1.00 0.00 N ATOM 37 CA LYS A 3 7.353 7.503 -0.454 1.00 0.00 C ATOM 38 C LYS A 3 6.690 7.073 -1.752 1.00 0.00 C ATOM 39 O LYS A 3 5.547 7.443 -2.030 1.00 0.00 O ATOM 40 CB LYS A 3 8.396 8.585 -0.730 1.00 0.00 C ATOM 41 CG LYS A 3 7.821 9.845 -1.359 1.00 0.00 C ATOM 42 CD LYS A 3 8.917 10.819 -1.749 1.00 0.00 C ATOM 43 CE LYS A 3 8.354 12.082 -2.382 1.00 0.00 C ATOM 44 NZ LYS A 3 7.503 11.787 -3.566 1.00 0.00 N ATOM 0 H LYS A 3 8.870 6.088 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 3 6.585 7.909 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.888 8.849 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.163 8.178 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.237 9.580 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.139 10.325 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.499 11.084 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.600 10.336 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.768 12.627 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.175 12.734 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.337 12.663 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.984 11.095 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.592 11.396 -3.250 1.00 0.00 H new ATOM 58 N THR A 4 7.399 6.285 -2.538 1.00 0.00 N ATOM 59 CA THR A 4 6.906 5.890 -3.842 1.00 0.00 C ATOM 60 C THR A 4 6.255 4.515 -3.781 1.00 0.00 C ATOM 61 O THR A 4 6.937 3.492 -3.780 1.00 0.00 O ATOM 62 CB THR A 4 8.040 5.870 -4.880 1.00 0.00 C ATOM 63 OG1 THR A 4 8.934 6.966 -4.640 1.00 0.00 O ATOM 64 CG2 THR A 4 7.484 5.966 -6.295 1.00 0.00 C ATOM 0 H THR A 4 8.315 5.907 -2.297 1.00 0.00 H new ATOM 0 HA THR A 4 6.162 6.626 -4.145 1.00 0.00 H new ATOM 0 HB THR A 4 8.578 4.927 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.657 6.950 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.306 5.950 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.822 5.121 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.926 6.896 -6.404 1.00 0.00 H new ATOM 72 N LEU A 5 4.937 4.494 -3.693 1.00 0.00 N ATOM 73 CA LEU A 5 4.209 3.240 -3.712 1.00 0.00 C ATOM 74 C LEU A 5 3.362 3.137 -4.975 1.00 0.00 C ATOM 75 O LEU A 5 2.924 4.149 -5.531 1.00 0.00 O ATOM 76 CB LEU A 5 3.326 3.106 -2.468 1.00 0.00 C ATOM 77 CG LEU A 5 2.648 1.742 -2.292 1.00 0.00 C ATOM 78 CD1 LEU A 5 3.690 0.645 -2.136 1.00 0.00 C ATOM 79 CD2 LEU A 5 1.713 1.758 -1.093 1.00 0.00 C ATOM 0 H LEU A 5 4.353 5.326 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 5 4.933 2.425 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.935 3.308 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.555 3.875 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 5 2.058 1.536 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.191 -0.316 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.322 0.614 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.305 0.850 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.242 0.781 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.281 1.988 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.945 2.517 -1.241 1.00 0.00 H new ATOM 91 N ARG A 6 3.162 1.914 -5.441 1.00 0.00 N ATOM 92 CA ARG A 6 2.312 1.655 -6.590 1.00 0.00 C ATOM 93 C ARG A 6 1.561 0.343 -6.392 1.00 0.00 C ATOM 94 O ARG A 6 2.165 -0.687 -6.089 1.00 0.00 O ATOM 95 CB ARG A 6 3.155 1.616 -7.873 1.00 0.00 C ATOM 96 CG ARG A 6 2.371 1.256 -9.127 1.00 0.00 C ATOM 97 CD ARG A 6 3.239 1.355 -10.375 1.00 0.00 C ATOM 98 NE ARG A 6 3.567 2.742 -10.715 1.00 0.00 N ATOM 99 CZ ARG A 6 4.800 3.180 -10.972 1.00 0.00 C ATOM 100 NH1 ARG A 6 5.834 2.350 -10.916 1.00 0.00 N ATOM 101 NH2 ARG A 6 4.998 4.454 -11.289 1.00 0.00 N ATOM 0 H ARG A 6 3.582 1.078 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 6 1.583 2.459 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.621 2.591 -8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.961 0.894 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.979 0.243 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.513 1.922 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.160 0.794 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.720 0.891 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 6 2.803 3.416 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.689 1.370 -10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.774 2.692 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.207 5.097 -11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.941 4.790 -11.486 1.00 0.00 H new ATOM 115 N LEU A 7 0.244 0.395 -6.533 1.00 0.00 N ATOM 116 CA LEU A 7 -0.598 -0.781 -6.380 1.00 0.00 C ATOM 117 C LEU A 7 -1.462 -0.970 -7.619 1.00 0.00 C ATOM 118 O LEU A 7 -2.289 -0.117 -7.936 1.00 0.00 O ATOM 119 CB LEU A 7 -1.494 -0.645 -5.142 1.00 0.00 C ATOM 120 CG LEU A 7 -0.759 -0.544 -3.805 1.00 0.00 C ATOM 121 CD1 LEU A 7 -1.744 -0.312 -2.673 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.054 -1.800 -3.546 1.00 0.00 C ATOM 0 H LEU A 7 -0.268 1.249 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 7 0.046 -1.651 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.117 0.241 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.164 -1.504 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.078 0.305 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.204 -0.243 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.288 0.616 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.448 -1.143 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.570 -1.709 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.610 -2.664 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.787 -1.930 -4.343 1.00 0.00 H new ATOM 134 N ASN A 8 -1.241 -2.077 -8.321 1.00 0.00 N ATOM 135 CA ASN A 8 -2.017 -2.417 -9.517 1.00 0.00 C ATOM 136 C ASN A 8 -1.933 -1.310 -10.563 1.00 0.00 C ATOM 137 O ASN A 8 -2.951 -0.734 -10.947 1.00 0.00 O ATOM 138 CB ASN A 8 -3.490 -2.695 -9.170 1.00 0.00 C ATOM 139 CG ASN A 8 -3.677 -3.934 -8.317 1.00 0.00 C ATOM 140 OD1 ASN A 8 -2.875 -4.861 -8.365 1.00 0.00 O ATOM 141 ND2 ASN A 8 -4.754 -3.971 -7.545 1.00 0.00 N ATOM 0 H ASN A 8 -0.524 -2.762 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.581 -3.325 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.902 -1.834 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.059 -2.807 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.938 -4.790 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.399 -3.181 -7.531 1.00 0.00 H new ATOM 148 N ASN A 9 -0.704 -1.006 -10.992 1.00 0.00 N ATOM 149 CA ASN A 9 -0.434 0.002 -12.034 1.00 0.00 C ATOM 150 C ASN A 9 -0.646 1.434 -11.539 1.00 0.00 C ATOM 151 O ASN A 9 -0.167 2.386 -12.156 1.00 0.00 O ATOM 152 CB ASN A 9 -1.293 -0.235 -13.288 1.00 0.00 C ATOM 153 CG ASN A 9 -0.993 -1.555 -13.972 1.00 0.00 C ATOM 154 OD1 ASN A 9 -1.601 -2.579 -13.663 1.00 0.00 O ATOM 155 ND2 ASN A 9 -0.058 -1.539 -14.909 1.00 0.00 N ATOM 0 H ASN A 9 0.138 -1.451 -10.628 1.00 0.00 H new ATOM 0 HA ASN A 9 0.619 -0.116 -12.291 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.347 -0.207 -13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.128 0.579 -13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.182 -2.397 -15.405 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.423 -0.668 -15.135 1.00 0.00 H new ATOM 162 N VAL A 10 -1.345 1.592 -10.427 1.00 0.00 N ATOM 163 CA VAL A 10 -1.679 2.913 -9.923 1.00 0.00 C ATOM 164 C VAL A 10 -0.739 3.312 -8.800 1.00 0.00 C ATOM 165 O VAL A 10 -0.654 2.631 -7.779 1.00 0.00 O ATOM 166 CB VAL A 10 -3.133 2.969 -9.408 1.00 0.00 C ATOM 167 CG1 VAL A 10 -3.484 4.367 -8.925 1.00 0.00 C ATOM 168 CG2 VAL A 10 -4.100 2.518 -10.489 1.00 0.00 C ATOM 0 H VAL A 10 -1.692 0.821 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.573 3.611 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.220 2.287 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.513 4.381 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.814 4.650 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.377 5.074 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.120 2.564 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.007 3.172 -11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.868 1.494 -10.781 1.00 0.00 H new ATOM 178 N THR A 11 -0.018 4.399 -8.998 1.00 0.00 N ATOM 179 CA THR A 11 0.850 4.920 -7.964 1.00 0.00 C ATOM 180 C THR A 11 0.005 5.487 -6.822 1.00 0.00 C ATOM 181 O THR A 11 -1.082 6.022 -7.048 1.00 0.00 O ATOM 182 CB THR A 11 1.812 5.997 -8.517 1.00 0.00 C ATOM 183 OG1 THR A 11 2.764 6.383 -7.517 1.00 0.00 O ATOM 184 CG2 THR A 11 1.049 7.226 -8.996 1.00 0.00 C ATOM 0 H THR A 11 -0.017 4.937 -9.865 1.00 0.00 H new ATOM 0 HA THR A 11 1.464 4.102 -7.587 1.00 0.00 H new ATOM 0 HB THR A 11 2.338 5.562 -9.367 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.841 5.672 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.753 7.965 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.357 6.939 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.490 7.654 -8.164 1.00 0.00 H new ATOM 192 N LEU A 12 0.494 5.352 -5.602 1.00 0.00 N ATOM 193 CA LEU A 12 -0.283 5.716 -4.436 1.00 0.00 C ATOM 194 C LEU A 12 0.552 6.515 -3.446 1.00 0.00 C ATOM 195 O LEU A 12 1.766 6.324 -3.344 1.00 0.00 O ATOM 196 CB LEU A 12 -0.810 4.449 -3.765 1.00 0.00 C ATOM 197 CG LEU A 12 -1.845 4.668 -2.666 1.00 0.00 C ATOM 198 CD1 LEU A 12 -3.126 5.240 -3.253 1.00 0.00 C ATOM 199 CD2 LEU A 12 -2.120 3.363 -1.944 1.00 0.00 C ATOM 0 H LEU A 12 1.426 4.993 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.116 6.342 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.249 3.809 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.034 3.905 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.451 5.385 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.855 5.391 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.911 6.194 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.531 4.545 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.860 3.529 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.501 2.628 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.197 2.992 -1.498 1.00 0.00 H new ATOM 211 N GLU A 13 -0.107 7.417 -2.736 1.00 0.00 N ATOM 212 CA GLU A 13 0.516 8.149 -1.647 1.00 0.00 C ATOM 213 C GLU A 13 -0.230 7.849 -0.356 1.00 0.00 C ATOM 214 O GLU A 13 -1.431 7.575 -0.375 1.00 0.00 O ATOM 215 CB GLU A 13 0.525 9.654 -1.927 1.00 0.00 C ATOM 216 CG GLU A 13 1.436 10.048 -3.077 1.00 0.00 C ATOM 217 CD GLU A 13 1.443 11.539 -3.333 1.00 0.00 C ATOM 218 OE1 GLU A 13 0.556 12.021 -4.067 1.00 0.00 O ATOM 219 OE2 GLU A 13 2.343 12.237 -2.813 1.00 0.00 O ATOM 0 H GLU A 13 -1.084 7.661 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 13 1.554 7.829 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.491 9.981 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.840 10.182 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.451 9.716 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.117 9.530 -3.981 1.00 0.00 H new ATOM 226 N MET A 14 0.475 7.902 0.761 1.00 0.00 N ATOM 227 CA MET A 14 -0.073 7.467 2.028 1.00 0.00 C ATOM 228 C MET A 14 0.183 8.526 3.076 1.00 0.00 C ATOM 229 O MET A 14 1.143 9.290 2.980 1.00 0.00 O ATOM 230 CB MET A 14 0.551 6.138 2.492 1.00 0.00 C ATOM 231 CG MET A 14 0.355 4.963 1.542 1.00 0.00 C ATOM 232 SD MET A 14 1.395 5.057 0.072 1.00 0.00 S ATOM 233 CE MET A 14 3.011 5.315 0.801 1.00 0.00 C ATOM 0 H MET A 14 1.434 8.245 0.813 1.00 0.00 H new ATOM 0 HA MET A 14 -1.144 7.312 1.894 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.620 6.290 2.641 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.128 5.875 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.570 4.035 2.073 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.691 4.921 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.764 4.790 0.213 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.239 6.381 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.015 4.931 1.821 1.00 0.00 H new ATOM 243 N ALA A 15 -0.671 8.571 4.068 1.00 0.00 N ATOM 244 CA ALA A 15 -0.511 9.513 5.154 1.00 0.00 C ATOM 245 C ALA A 15 0.217 8.850 6.311 1.00 0.00 C ATOM 246 O ALA A 15 1.163 9.402 6.870 1.00 0.00 O ATOM 247 CB ALA A 15 -1.866 10.027 5.581 1.00 0.00 C ATOM 0 H ALA A 15 -1.488 7.965 4.148 1.00 0.00 H new ATOM 0 HA ALA A 15 0.088 10.361 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.745 10.737 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.349 10.523 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.484 9.192 5.913 1.00 0.00 H new ATOM 253 N ALA A 16 -0.219 7.648 6.650 1.00 0.00 N ATOM 254 CA ALA A 16 0.443 6.867 7.672 1.00 0.00 C ATOM 255 C ALA A 16 0.783 5.493 7.126 1.00 0.00 C ATOM 256 O ALA A 16 -0.009 4.557 7.211 1.00 0.00 O ATOM 257 CB ALA A 16 -0.413 6.767 8.925 1.00 0.00 C ATOM 0 H ALA A 16 -1.030 7.195 6.229 1.00 0.00 H new ATOM 0 HA ALA A 16 1.369 7.369 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.109 6.175 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.601 7.766 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.361 6.288 8.681 1.00 0.00 H new ATOM 263 N TYR A 17 1.940 5.400 6.500 1.00 0.00 N ATOM 264 CA TYR A 17 2.415 4.136 5.963 1.00 0.00 C ATOM 265 C TYR A 17 3.106 3.339 7.062 1.00 0.00 C ATOM 266 O TYR A 17 4.287 3.549 7.346 1.00 0.00 O ATOM 267 CB TYR A 17 3.372 4.379 4.791 1.00 0.00 C ATOM 268 CG TYR A 17 3.789 3.118 4.060 1.00 0.00 C ATOM 269 CD1 TYR A 17 2.932 2.499 3.157 1.00 0.00 C ATOM 270 CD2 TYR A 17 5.041 2.552 4.264 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.311 1.353 2.483 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.428 1.408 3.591 1.00 0.00 C ATOM 273 CZ TYR A 17 4.560 0.812 2.703 1.00 0.00 C ATOM 274 OH TYR A 17 4.943 -0.324 2.026 1.00 0.00 O ATOM 0 H TYR A 17 2.572 6.187 6.349 1.00 0.00 H new ATOM 0 HA TYR A 17 1.564 3.564 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.896 5.056 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.264 4.882 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.954 2.921 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.725 3.014 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.632 0.883 1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.406 0.984 3.761 1.00 0.00 H new ATOM 0 HH TYR A 17 5.852 -0.574 2.295 1.00 0.00 H new ATOM 284 N GLN A 18 2.360 2.447 7.697 1.00 0.00 N ATOM 285 CA GLN A 18 2.888 1.653 8.793 1.00 0.00 C ATOM 286 C GLN A 18 3.171 0.230 8.331 1.00 0.00 C ATOM 287 O GLN A 18 2.278 -0.615 8.280 1.00 0.00 O ATOM 288 CB GLN A 18 1.908 1.642 9.969 1.00 0.00 C ATOM 289 CG GLN A 18 2.410 0.873 11.182 1.00 0.00 C ATOM 290 CD GLN A 18 1.393 0.818 12.304 1.00 0.00 C ATOM 291 OE1 GLN A 18 0.587 1.734 12.483 1.00 0.00 O ATOM 292 NE2 GLN A 18 1.416 -0.262 13.066 1.00 0.00 N ATOM 0 H GLN A 18 1.384 2.256 7.470 1.00 0.00 H new ATOM 0 HA GLN A 18 3.823 2.105 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.698 2.670 10.264 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.965 1.206 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.668 -0.142 10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.324 1.339 11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.098 -0.999 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.751 -0.359 13.834 1.00 0.00 H new ATOM 301 N GLU A 19 4.413 -0.024 7.974 1.00 0.00 N ATOM 302 CA GLU A 19 4.810 -1.347 7.541 1.00 0.00 C ATOM 303 C GLU A 19 5.594 -2.022 8.653 1.00 0.00 C ATOM 304 O GLU A 19 6.592 -1.486 9.144 1.00 0.00 O ATOM 305 CB GLU A 19 5.636 -1.254 6.259 1.00 0.00 C ATOM 306 CG GLU A 19 5.762 -2.560 5.488 1.00 0.00 C ATOM 307 CD GLU A 19 6.954 -3.385 5.918 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.079 -3.063 5.482 1.00 0.00 O ATOM 309 OE2 GLU A 19 6.777 -4.356 6.678 1.00 0.00 O ATOM 0 H GLU A 19 5.163 0.667 7.975 1.00 0.00 H new ATOM 0 HA GLU A 19 3.926 -1.946 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.187 -0.505 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.635 -0.899 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.853 -3.146 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.843 -2.341 4.423 1.00 0.00 H new ATOM 316 N GLU A 20 5.123 -3.181 9.053 1.00 0.00 N ATOM 317 CA GLU A 20 5.706 -3.915 10.165 1.00 0.00 C ATOM 318 C GLU A 20 6.207 -5.257 9.678 1.00 0.00 C ATOM 319 O GLU A 20 5.417 -6.130 9.333 1.00 0.00 O ATOM 320 CB GLU A 20 4.681 -4.100 11.287 1.00 0.00 C ATOM 321 CG GLU A 20 4.069 -2.792 11.762 1.00 0.00 C ATOM 322 CD GLU A 20 3.229 -2.949 13.011 1.00 0.00 C ATOM 323 OE1 GLU A 20 2.023 -3.243 12.891 1.00 0.00 O ATOM 324 OE2 GLU A 20 3.774 -2.750 14.120 1.00 0.00 O ATOM 0 H GLU A 20 4.325 -3.646 8.620 1.00 0.00 H new ATOM 0 HA GLU A 20 6.544 -3.345 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.886 -4.760 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.161 -4.596 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.866 -2.074 11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.451 -2.376 10.966 1.00 0.00 H new ATOM 331 N SER A 21 7.521 -5.407 9.645 1.00 0.00 N ATOM 332 CA SER A 21 8.147 -6.585 9.072 1.00 0.00 C ATOM 333 C SER A 21 8.505 -7.616 10.129 1.00 0.00 C ATOM 334 O SER A 21 9.219 -8.579 9.849 1.00 0.00 O ATOM 335 CB SER A 21 9.415 -6.171 8.344 1.00 0.00 C ATOM 336 OG SER A 21 9.176 -5.104 7.440 1.00 0.00 O ATOM 0 H SER A 21 8.179 -4.720 10.012 1.00 0.00 H new ATOM 0 HA SER A 21 7.431 -7.039 8.387 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.170 -5.870 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.818 -7.025 7.800 1.00 0.00 H new ATOM 0 HG SER A 21 8.266 -5.175 7.083 1.00 0.00 H new ATOM 342 N GLU A 22 8.010 -7.430 11.335 1.00 0.00 N ATOM 343 CA GLU A 22 8.459 -8.262 12.438 1.00 0.00 C ATOM 344 C GLU A 22 7.748 -9.561 12.597 1.00 0.00 C ATOM 345 O GLU A 22 8.398 -10.606 12.579 1.00 0.00 O ATOM 346 CB GLU A 22 8.525 -7.488 13.737 1.00 0.00 C ATOM 347 CG GLU A 22 9.885 -6.890 13.924 1.00 0.00 C ATOM 348 CD GLU A 22 10.008 -6.050 15.174 1.00 0.00 C ATOM 349 OE1 GLU A 22 10.211 -6.628 16.261 1.00 0.00 O ATOM 350 OE2 GLU A 22 9.918 -4.810 15.073 1.00 0.00 O ATOM 0 H GLU A 22 7.312 -6.727 11.577 1.00 0.00 H new ATOM 0 HA GLU A 22 9.472 -8.551 12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.772 -6.700 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.294 -8.149 14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.623 -7.691 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.125 -6.274 13.057 1.00 0.00 H new ATOM 357 N PRO A 23 6.451 -9.580 12.787 1.00 0.00 N ATOM 358 CA PRO A 23 5.780 -10.846 12.877 1.00 0.00 C ATOM 359 C PRO A 23 5.787 -11.530 11.514 1.00 0.00 C ATOM 360 O PRO A 23 5.685 -12.751 11.390 1.00 0.00 O ATOM 361 CB PRO A 23 4.364 -10.480 13.300 1.00 0.00 C ATOM 362 CG PRO A 23 4.419 -9.052 13.735 1.00 0.00 C ATOM 363 CD PRO A 23 5.545 -8.439 12.963 1.00 0.00 C ATOM 0 HA PRO A 23 6.251 -11.539 13.575 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.665 -10.609 12.474 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.021 -11.122 14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.478 -8.542 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.592 -8.976 14.808 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.211 -8.032 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.018 -7.623 13.510 1.00 0.00 H new ATOM 371 N LYS A 24 5.916 -10.680 10.512 1.00 0.00 N ATOM 372 CA LYS A 24 5.921 -11.039 9.104 1.00 0.00 C ATOM 373 C LYS A 24 6.011 -9.717 8.370 1.00 0.00 C ATOM 374 O LYS A 24 5.934 -8.685 9.022 1.00 0.00 O ATOM 375 CB LYS A 24 4.650 -11.801 8.701 1.00 0.00 C ATOM 376 CG LYS A 24 4.787 -12.559 7.388 1.00 0.00 C ATOM 377 CD LYS A 24 3.494 -13.259 7.004 1.00 0.00 C ATOM 378 CE LYS A 24 3.683 -14.160 5.791 1.00 0.00 C ATOM 379 NZ LYS A 24 2.405 -14.790 5.359 1.00 0.00 N ATOM 0 H LYS A 24 6.025 -9.677 10.663 1.00 0.00 H new ATOM 0 HA LYS A 24 6.748 -11.708 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.392 -12.505 9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.823 -11.095 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.075 -11.867 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.587 -13.294 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.137 -13.852 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.727 -12.515 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.096 -13.577 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.409 -14.938 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.578 -15.782 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.718 -14.752 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.025 -14.277 4.538 1.00 0.00 H new ATOM 393 N ARG A 25 6.157 -9.706 7.060 1.00 0.00 N ATOM 394 CA ARG A 25 6.109 -8.440 6.346 1.00 0.00 C ATOM 395 C ARG A 25 4.660 -8.029 6.107 1.00 0.00 C ATOM 396 O ARG A 25 3.950 -8.620 5.288 1.00 0.00 O ATOM 397 CB ARG A 25 6.904 -8.498 5.044 1.00 0.00 C ATOM 398 CG ARG A 25 8.396 -8.656 5.285 1.00 0.00 C ATOM 399 CD ARG A 25 9.215 -8.320 4.053 1.00 0.00 C ATOM 400 NE ARG A 25 9.010 -9.268 2.961 1.00 0.00 N ATOM 401 CZ ARG A 25 9.926 -9.534 2.035 1.00 0.00 C ATOM 402 NH1 ARG A 25 11.124 -8.964 2.098 1.00 0.00 N ATOM 403 NH2 ARG A 25 9.649 -10.381 1.053 1.00 0.00 N ATOM 0 H ARG A 25 6.306 -10.531 6.480 1.00 0.00 H new ATOM 0 HA ARG A 25 6.582 -7.677 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.546 -9.331 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.725 -7.588 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.700 -8.009 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.606 -9.681 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.955 -7.318 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.272 -8.302 4.319 1.00 0.00 H new ATOM 0 HE ARG A 25 8.114 -9.753 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.343 -8.320 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.825 -9.170 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.733 -10.828 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.352 -10.585 0.342 1.00 0.00 H new ATOM 417 N LYS A 26 4.223 -7.033 6.864 1.00 0.00 N ATOM 418 CA LYS A 26 2.838 -6.592 6.848 1.00 0.00 C ATOM 419 C LYS A 26 2.748 -5.117 6.473 1.00 0.00 C ATOM 420 O LYS A 26 3.231 -4.251 7.205 1.00 0.00 O ATOM 421 CB LYS A 26 2.222 -6.816 8.230 1.00 0.00 C ATOM 422 CG LYS A 26 0.746 -6.481 8.307 1.00 0.00 C ATOM 423 CD LYS A 26 0.259 -6.405 9.747 1.00 0.00 C ATOM 424 CE LYS A 26 0.868 -5.220 10.485 1.00 0.00 C ATOM 425 NZ LYS A 26 0.183 -4.957 11.780 1.00 0.00 N ATOM 0 H LYS A 26 4.819 -6.509 7.505 1.00 0.00 H new ATOM 0 HA LYS A 26 2.291 -7.169 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.363 -7.859 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.760 -6.211 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.563 -5.528 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.173 -7.236 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.828 -6.322 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.515 -7.328 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.926 -5.411 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.808 -4.332 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.606 -4.122 12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.828 -4.783 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.291 -5.782 12.404 1.00 0.00 H new ATOM 439 N ILE A 27 2.126 -4.837 5.340 1.00 0.00 N ATOM 440 CA ILE A 27 1.995 -3.471 4.854 1.00 0.00 C ATOM 441 C ILE A 27 0.635 -2.896 5.232 1.00 0.00 C ATOM 442 O ILE A 27 -0.376 -3.198 4.599 1.00 0.00 O ATOM 443 CB ILE A 27 2.168 -3.402 3.319 1.00 0.00 C ATOM 444 CG1 ILE A 27 3.516 -4.003 2.906 1.00 0.00 C ATOM 445 CG2 ILE A 27 2.056 -1.963 2.836 1.00 0.00 C ATOM 446 CD1 ILE A 27 3.738 -4.040 1.409 1.00 0.00 C ATOM 0 H ILE A 27 1.701 -5.541 4.736 1.00 0.00 H new ATOM 0 HA ILE A 27 2.783 -2.882 5.323 1.00 0.00 H new ATOM 0 HB ILE A 27 1.373 -3.985 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.317 -3.426 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.586 -5.017 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.180 -1.932 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.076 -1.566 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.832 -1.360 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.713 -4.478 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.959 -4.642 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.702 -3.026 1.011 1.00 0.00 H new ATOM 458 N ALA A 28 0.609 -2.084 6.278 1.00 0.00 N ATOM 459 CA ALA A 28 -0.621 -1.438 6.710 1.00 0.00 C ATOM 460 C ALA A 28 -0.561 0.057 6.425 1.00 0.00 C ATOM 461 O ALA A 28 0.005 0.830 7.199 1.00 0.00 O ATOM 462 CB ALA A 28 -0.862 -1.690 8.195 1.00 0.00 C ATOM 0 H ALA A 28 1.427 -1.857 6.844 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.453 -1.864 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.786 -1.200 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.943 -2.762 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.029 -1.288 8.772 1.00 0.00 H new ATOM 468 N PHE A 29 -1.123 0.467 5.304 1.00 0.00 N ATOM 469 CA PHE A 29 -1.067 1.865 4.915 1.00 0.00 C ATOM 470 C PHE A 29 -2.384 2.569 5.216 1.00 0.00 C ATOM 471 O PHE A 29 -3.466 2.044 4.946 1.00 0.00 O ATOM 472 CB PHE A 29 -0.689 2.013 3.433 1.00 0.00 C ATOM 473 CG PHE A 29 -1.619 1.331 2.469 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.445 -0.005 2.145 1.00 0.00 C ATOM 475 CD2 PHE A 29 -2.657 2.032 1.876 1.00 0.00 C ATOM 476 CE1 PHE A 29 -2.289 -0.628 1.248 1.00 0.00 C ATOM 477 CE2 PHE A 29 -3.505 1.412 0.980 1.00 0.00 C ATOM 478 CZ PHE A 29 -3.320 0.081 0.666 1.00 0.00 C ATOM 0 H PHE A 29 -1.619 -0.140 4.652 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.287 2.345 5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.650 3.074 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.316 1.615 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.641 -0.565 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.804 3.074 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.143 -1.669 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.312 1.968 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.982 -0.406 -0.035 1.00 0.00 H new ATOM 488 N THR A 30 -2.274 3.742 5.817 1.00 0.00 N ATOM 489 CA THR A 30 -3.427 4.564 6.117 1.00 0.00 C ATOM 490 C THR A 30 -3.577 5.656 5.064 1.00 0.00 C ATOM 491 O THR A 30 -2.711 6.530 4.928 1.00 0.00 O ATOM 492 CB THR A 30 -3.288 5.203 7.506 1.00 0.00 C ATOM 493 OG1 THR A 30 -2.843 4.216 8.447 1.00 0.00 O ATOM 494 CG2 THR A 30 -4.610 5.784 7.973 1.00 0.00 C ATOM 0 H THR A 30 -1.385 4.147 6.109 1.00 0.00 H new ATOM 0 HA THR A 30 -4.313 3.929 6.109 1.00 0.00 H new ATOM 0 HB THR A 30 -2.559 6.011 7.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.884 4.057 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.483 6.230 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.941 6.548 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.357 4.992 8.026 1.00 0.00 H new ATOM 502 N LEU A 31 -4.659 5.583 4.306 1.00 0.00 N ATOM 503 CA LEU A 31 -4.928 6.549 3.257 1.00 0.00 C ATOM 504 C LEU A 31 -5.937 7.575 3.757 1.00 0.00 C ATOM 505 O LEU A 31 -7.026 7.214 4.197 1.00 0.00 O ATOM 506 CB LEU A 31 -5.458 5.823 2.012 1.00 0.00 C ATOM 507 CG LEU A 31 -5.472 6.632 0.706 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.539 5.700 -0.488 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.646 7.595 0.660 1.00 0.00 C ATOM 0 H LEU A 31 -5.370 4.858 4.400 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.009 7.069 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.854 4.929 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.475 5.488 2.218 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.549 7.211 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.548 6.286 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.670 5.043 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.447 5.100 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.624 8.151 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.579 7.035 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.578 8.291 1.496 1.00 0.00 H new ATOM 521 N ASN A 32 -5.569 8.849 3.698 1.00 0.00 N ATOM 522 CA ASN A 32 -6.453 9.918 4.151 1.00 0.00 C ATOM 523 C ASN A 32 -7.496 10.225 3.086 1.00 0.00 C ATOM 524 O ASN A 32 -7.188 10.762 2.020 1.00 0.00 O ATOM 525 CB ASN A 32 -5.654 11.177 4.512 1.00 0.00 C ATOM 526 CG ASN A 32 -6.528 12.298 5.053 1.00 0.00 C ATOM 527 OD1 ASN A 32 -6.932 13.200 4.322 1.00 0.00 O ATOM 528 ND2 ASN A 32 -6.845 12.241 6.335 1.00 0.00 N ATOM 0 H ASN A 32 -4.668 9.167 3.342 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.966 9.581 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.899 10.921 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.124 11.531 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.442 12.959 6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.493 11.479 6.914 1.00 0.00 H new ATOM 535 N VAL A 33 -8.726 9.843 3.375 1.00 0.00 N ATOM 536 CA VAL A 33 -9.830 10.044 2.465 1.00 0.00 C ATOM 537 C VAL A 33 -10.320 11.477 2.535 1.00 0.00 C ATOM 538 O VAL A 33 -10.803 11.919 3.574 1.00 0.00 O ATOM 539 CB VAL A 33 -11.002 9.099 2.770 1.00 0.00 C ATOM 540 CG1 VAL A 33 -12.156 9.330 1.805 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.538 7.664 2.703 1.00 0.00 C ATOM 0 H VAL A 33 -8.984 9.385 4.249 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.461 9.825 1.463 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.361 9.310 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.972 8.648 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.505 10.359 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.819 9.149 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.375 7.000 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.156 7.451 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.747 7.503 3.436 1.00 0.00 H new ATOM 551 N THR A 34 -10.174 12.199 1.445 1.00 0.00 N ATOM 552 CA THR A 34 -10.703 13.543 1.356 1.00 0.00 C ATOM 553 C THR A 34 -11.799 13.580 0.309 1.00 0.00 C ATOM 554 O THR A 34 -11.966 12.621 -0.439 1.00 0.00 O ATOM 555 CB THR A 34 -9.603 14.563 1.008 1.00 0.00 C ATOM 556 OG1 THR A 34 -8.820 14.090 -0.097 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.698 14.813 2.202 1.00 0.00 C ATOM 0 H THR A 34 -9.692 11.877 0.606 1.00 0.00 H new ATOM 0 HA THR A 34 -11.109 13.818 2.329 1.00 0.00 H new ATOM 0 HB THR A 34 -10.087 15.500 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.125 14.747 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.929 15.537 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.289 15.204 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.226 13.878 2.503 1.00 0.00 H new ATOM 565 N SER A 35 -12.540 14.677 0.254 1.00 0.00 N ATOM 566 CA SER A 35 -13.601 14.828 -0.733 1.00 0.00 C ATOM 567 C SER A 35 -13.026 14.677 -2.142 1.00 0.00 C ATOM 568 O SER A 35 -13.710 14.234 -3.066 1.00 0.00 O ATOM 569 CB SER A 35 -14.280 16.194 -0.571 1.00 0.00 C ATOM 570 OG SER A 35 -15.472 16.271 -1.336 1.00 0.00 O ATOM 0 H SER A 35 -12.427 15.475 0.880 1.00 0.00 H new ATOM 0 HA SER A 35 -14.349 14.050 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.509 16.366 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.594 16.982 -0.882 1.00 0.00 H new ATOM 0 HG SER A 35 -15.884 17.152 -1.212 1.00 0.00 H new ATOM 576 N GLU A 36 -11.754 15.029 -2.277 1.00 0.00 N ATOM 577 CA GLU A 36 -11.036 14.908 -3.534 1.00 0.00 C ATOM 578 C GLU A 36 -10.871 13.439 -3.938 1.00 0.00 C ATOM 579 O GLU A 36 -11.378 13.007 -4.972 1.00 0.00 O ATOM 580 CB GLU A 36 -9.670 15.576 -3.389 1.00 0.00 C ATOM 581 CG GLU A 36 -8.837 15.593 -4.655 1.00 0.00 C ATOM 582 CD GLU A 36 -7.497 16.259 -4.435 1.00 0.00 C ATOM 583 OE1 GLU A 36 -7.421 17.504 -4.533 1.00 0.00 O ATOM 584 OE2 GLU A 36 -6.519 15.549 -4.131 1.00 0.00 O ATOM 0 H GLU A 36 -11.192 15.407 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.608 15.402 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.816 16.602 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.110 15.061 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.683 14.572 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.380 16.119 -5.441 1.00 0.00 H new ATOM 591 N THR A 37 -10.187 12.665 -3.104 1.00 0.00 N ATOM 592 CA THR A 37 -9.875 11.286 -3.432 1.00 0.00 C ATOM 593 C THR A 37 -11.088 10.374 -3.260 1.00 0.00 C ATOM 594 O THR A 37 -11.134 9.288 -3.836 1.00 0.00 O ATOM 595 CB THR A 37 -8.703 10.771 -2.570 1.00 0.00 C ATOM 596 OG1 THR A 37 -8.921 11.101 -1.189 1.00 0.00 O ATOM 597 CG2 THR A 37 -7.384 11.372 -3.033 1.00 0.00 C ATOM 0 H THR A 37 -9.839 12.972 -2.196 1.00 0.00 H new ATOM 0 HA THR A 37 -9.583 11.263 -4.482 1.00 0.00 H new ATOM 0 HB THR A 37 -8.653 9.688 -2.681 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.172 10.768 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.573 10.994 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.203 11.095 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.430 12.458 -2.949 1.00 0.00 H new ATOM 605 N TYR A 38 -12.070 10.837 -2.483 1.00 0.00 N ATOM 606 CA TYR A 38 -13.283 10.066 -2.179 1.00 0.00 C ATOM 607 C TYR A 38 -13.874 9.388 -3.413 1.00 0.00 C ATOM 608 O TYR A 38 -14.301 8.235 -3.346 1.00 0.00 O ATOM 609 CB TYR A 38 -14.341 10.975 -1.536 1.00 0.00 C ATOM 610 CG TYR A 38 -15.729 10.374 -1.504 1.00 0.00 C ATOM 611 CD1 TYR A 38 -16.074 9.400 -0.574 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.691 10.776 -2.422 1.00 0.00 C ATOM 613 CE1 TYR A 38 -17.339 8.845 -0.562 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.956 10.229 -2.412 1.00 0.00 C ATOM 615 CZ TYR A 38 -18.277 9.264 -1.485 1.00 0.00 C ATOM 616 OH TYR A 38 -19.536 8.709 -1.486 1.00 0.00 O ATOM 0 H TYR A 38 -12.049 11.758 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 38 -12.991 9.280 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.034 11.209 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -14.376 11.917 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -15.342 9.072 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -16.444 11.529 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -17.593 8.088 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.693 10.557 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.072 9.116 -2.198 1.00 0.00 H new ATOM 626 N HIS A 39 -13.881 10.097 -4.538 1.00 0.00 N ATOM 627 CA HIS A 39 -14.488 9.588 -5.766 1.00 0.00 C ATOM 628 C HIS A 39 -13.829 8.292 -6.227 1.00 0.00 C ATOM 629 O HIS A 39 -14.464 7.462 -6.876 1.00 0.00 O ATOM 630 CB HIS A 39 -14.410 10.635 -6.880 1.00 0.00 C ATOM 631 CG HIS A 39 -15.241 11.852 -6.621 1.00 0.00 C ATOM 632 ND1 HIS A 39 -14.725 13.128 -6.581 1.00 0.00 N ATOM 633 CD2 HIS A 39 -16.569 11.978 -6.392 1.00 0.00 C ATOM 634 CE1 HIS A 39 -15.697 13.987 -6.336 1.00 0.00 C ATOM 635 NE2 HIS A 39 -16.826 13.314 -6.217 1.00 0.00 N ATOM 0 H HIS A 39 -13.473 11.028 -4.626 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.534 9.375 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -13.371 10.937 -7.011 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.730 10.180 -7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -17.292 11.176 -6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -15.587 15.058 -6.248 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -17.741 13.721 -6.026 1.00 0.00 H new ATOM 644 N ASP A 40 -12.562 8.117 -5.884 1.00 0.00 N ATOM 645 CA ASP A 40 -11.822 6.929 -6.282 1.00 0.00 C ATOM 646 C ASP A 40 -11.741 5.931 -5.127 1.00 0.00 C ATOM 647 O ASP A 40 -11.869 4.723 -5.326 1.00 0.00 O ATOM 648 CB ASP A 40 -10.415 7.313 -6.743 1.00 0.00 C ATOM 649 CG ASP A 40 -9.695 6.174 -7.438 1.00 0.00 C ATOM 650 OD1 ASP A 40 -9.010 5.388 -6.759 1.00 0.00 O ATOM 651 OD2 ASP A 40 -9.808 6.070 -8.681 1.00 0.00 O ATOM 0 H ASP A 40 -12.024 8.783 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.350 6.457 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.479 8.164 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.830 7.635 -5.881 1.00 0.00 H new ATOM 656 N ILE A 41 -11.563 6.446 -3.911 1.00 0.00 N ATOM 657 CA ILE A 41 -11.396 5.594 -2.732 1.00 0.00 C ATOM 658 C ILE A 41 -12.673 4.799 -2.444 1.00 0.00 C ATOM 659 O ILE A 41 -12.632 3.730 -1.838 1.00 0.00 O ATOM 660 CB ILE A 41 -11.026 6.409 -1.467 1.00 0.00 C ATOM 661 CG1 ILE A 41 -9.993 7.499 -1.772 1.00 0.00 C ATOM 662 CG2 ILE A 41 -10.497 5.484 -0.379 1.00 0.00 C ATOM 663 CD1 ILE A 41 -8.702 6.994 -2.375 1.00 0.00 C ATOM 0 H ILE A 41 -11.531 7.447 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.576 4.913 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.935 6.899 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.439 8.222 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.763 8.032 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.241 6.070 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.262 4.752 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.609 4.967 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.032 7.834 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.228 6.295 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.914 6.488 -3.317 1.00 0.00 H new ATOM 675 N ALA A 42 -13.811 5.320 -2.890 1.00 0.00 N ATOM 676 CA ALA A 42 -15.085 4.634 -2.701 1.00 0.00 C ATOM 677 C ALA A 42 -15.176 3.392 -3.583 1.00 0.00 C ATOM 678 O ALA A 42 -16.072 2.564 -3.424 1.00 0.00 O ATOM 679 CB ALA A 42 -16.239 5.576 -2.983 1.00 0.00 C ATOM 0 H ALA A 42 -13.878 6.211 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.146 4.311 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.182 5.050 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.189 6.426 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.176 5.931 -4.012 1.00 0.00 H new ATOM 685 N VAL A 43 -14.250 3.277 -4.523 1.00 0.00 N ATOM 686 CA VAL A 43 -14.147 2.085 -5.348 1.00 0.00 C ATOM 687 C VAL A 43 -13.068 1.169 -4.778 1.00 0.00 C ATOM 688 O VAL A 43 -13.148 -0.058 -4.874 1.00 0.00 O ATOM 689 CB VAL A 43 -13.799 2.436 -6.813 1.00 0.00 C ATOM 690 CG1 VAL A 43 -13.885 1.206 -7.700 1.00 0.00 C ATOM 691 CG2 VAL A 43 -14.707 3.538 -7.336 1.00 0.00 C ATOM 0 H VAL A 43 -13.558 3.997 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.115 1.583 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.772 2.801 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.636 1.479 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.183 0.451 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.898 0.804 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.443 3.768 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.744 3.206 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.585 4.431 -6.723 1.00 0.00 H new ATOM 701 N LEU A 44 -12.065 1.785 -4.165 1.00 0.00 N ATOM 702 CA LEU A 44 -10.958 1.057 -3.573 1.00 0.00 C ATOM 703 C LEU A 44 -11.226 0.787 -2.094 1.00 0.00 C ATOM 704 O LEU A 44 -10.708 1.479 -1.218 1.00 0.00 O ATOM 705 CB LEU A 44 -9.656 1.849 -3.737 1.00 0.00 C ATOM 706 CG LEU A 44 -8.384 1.121 -3.297 1.00 0.00 C ATOM 707 CD1 LEU A 44 -8.129 -0.084 -4.186 1.00 0.00 C ATOM 708 CD2 LEU A 44 -7.194 2.067 -3.322 1.00 0.00 C ATOM 0 H LEU A 44 -11.999 2.798 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.857 0.102 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.550 2.128 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.740 2.775 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.521 0.771 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.221 -0.591 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.972 -0.771 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.011 0.244 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.298 1.533 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.052 2.447 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.377 2.900 -2.644 1.00 0.00 H new ATOM 720 N LEU A 45 -12.045 -0.215 -1.821 1.00 0.00 N ATOM 721 CA LEU A 45 -12.378 -0.570 -0.458 1.00 0.00 C ATOM 722 C LEU A 45 -12.143 -2.053 -0.231 1.00 0.00 C ATOM 723 O LEU A 45 -13.017 -2.887 -0.460 1.00 0.00 O ATOM 724 CB LEU A 45 -13.825 -0.174 -0.112 1.00 0.00 C ATOM 725 CG LEU A 45 -14.799 -0.030 -1.296 1.00 0.00 C ATOM 726 CD1 LEU A 45 -15.069 -1.363 -1.973 1.00 0.00 C ATOM 727 CD2 LEU A 45 -16.104 0.593 -0.827 1.00 0.00 C ATOM 0 H LEU A 45 -12.491 -0.797 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.724 -0.011 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.228 -0.920 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -13.800 0.773 0.427 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.329 0.623 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.761 -1.216 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.133 -1.776 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.507 -2.054 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.785 0.690 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.558 -0.042 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.906 1.579 -0.406 1.00 0.00 H new ATOM 739 N TYR A 46 -10.934 -2.354 0.216 1.00 0.00 N ATOM 740 CA TYR A 46 -10.507 -3.727 0.479 1.00 0.00 C ATOM 741 C TYR A 46 -10.611 -4.580 -0.766 1.00 0.00 C ATOM 742 O TYR A 46 -11.597 -5.291 -0.970 1.00 0.00 O ATOM 743 CB TYR A 46 -11.312 -4.365 1.612 1.00 0.00 C ATOM 744 CG TYR A 46 -10.851 -3.944 2.980 1.00 0.00 C ATOM 745 CD1 TYR A 46 -9.799 -3.056 3.123 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.458 -4.441 4.124 1.00 0.00 C ATOM 747 CE1 TYR A 46 -9.360 -2.671 4.370 1.00 0.00 C ATOM 748 CE2 TYR A 46 -11.025 -4.062 5.378 1.00 0.00 C ATOM 749 CZ TYR A 46 -9.977 -3.176 5.495 1.00 0.00 C ATOM 750 OH TYR A 46 -9.533 -2.801 6.738 1.00 0.00 O ATOM 0 H TYR A 46 -10.217 -1.655 0.408 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.463 -3.678 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.363 -4.103 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.243 -5.450 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.315 -2.659 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.281 -5.134 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.537 -1.978 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.504 -4.457 6.261 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.076 -1.936 6.675 1.00 0.00 H new ATOM 760 N GLU A 47 -9.607 -4.499 -1.616 1.00 0.00 N ATOM 761 CA GLU A 47 -9.608 -5.310 -2.807 1.00 0.00 C ATOM 762 C GLU A 47 -9.068 -6.691 -2.517 1.00 0.00 C ATOM 763 O GLU A 47 -8.867 -7.071 -1.365 1.00 0.00 O ATOM 764 CB GLU A 47 -8.814 -4.673 -3.940 1.00 0.00 C ATOM 765 CG GLU A 47 -9.537 -3.523 -4.614 1.00 0.00 C ATOM 766 CD GLU A 47 -10.737 -3.997 -5.405 1.00 0.00 C ATOM 767 OE1 GLU A 47 -11.826 -4.147 -4.818 1.00 0.00 O ATOM 768 OE2 GLU A 47 -10.589 -4.237 -6.623 1.00 0.00 O ATOM 0 H GLU A 47 -8.796 -3.890 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.646 -5.389 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.862 -4.314 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.585 -5.435 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.860 -2.805 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.848 -3.000 -5.278 1.00 0.00 H new ATOM 775 N LYS A 48 -8.820 -7.422 -3.576 1.00 0.00 N ATOM 776 CA LYS A 48 -8.501 -8.822 -3.478 1.00 0.00 C ATOM 777 C LYS A 48 -7.007 -9.036 -3.673 1.00 0.00 C ATOM 778 O LYS A 48 -6.324 -9.532 -2.781 1.00 0.00 O ATOM 779 CB LYS A 48 -9.303 -9.604 -4.521 1.00 0.00 C ATOM 780 CG LYS A 48 -10.813 -9.368 -4.460 1.00 0.00 C ATOM 781 CD LYS A 48 -11.227 -8.014 -5.023 1.00 0.00 C ATOM 782 CE LYS A 48 -12.708 -7.746 -4.805 1.00 0.00 C ATOM 783 NZ LYS A 48 -13.124 -6.433 -5.366 1.00 0.00 N ATOM 0 H LYS A 48 -8.834 -7.061 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.768 -9.185 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.945 -9.335 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.108 -10.668 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.321 -10.157 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.145 -9.442 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.641 -7.227 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.003 -7.979 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.293 -8.540 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.928 -7.770 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.161 -6.355 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.701 -5.666 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.801 -6.359 -6.352 1.00 0.00 H new ATOM 797 N THR A 49 -6.498 -8.645 -4.830 1.00 0.00 N ATOM 798 CA THR A 49 -5.081 -8.771 -5.103 1.00 0.00 C ATOM 799 C THR A 49 -4.445 -7.408 -5.371 1.00 0.00 C ATOM 800 O THR A 49 -4.847 -6.683 -6.283 1.00 0.00 O ATOM 801 CB THR A 49 -4.826 -9.713 -6.296 1.00 0.00 C ATOM 802 OG1 THR A 49 -5.674 -9.359 -7.393 1.00 0.00 O ATOM 803 CG2 THR A 49 -5.072 -11.166 -5.911 1.00 0.00 C ATOM 0 H THR A 49 -7.044 -8.240 -5.590 1.00 0.00 H new ATOM 0 HA THR A 49 -4.618 -9.201 -4.215 1.00 0.00 H new ATOM 0 HB THR A 49 -3.782 -9.605 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.697 -8.384 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.884 -11.807 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.402 -11.445 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.106 -11.287 -5.587 1.00 0.00 H new ATOM 811 N PHE A 50 -3.476 -7.047 -4.546 1.00 0.00 N ATOM 812 CA PHE A 50 -2.731 -5.816 -4.741 1.00 0.00 C ATOM 813 C PHE A 50 -1.327 -6.116 -5.257 1.00 0.00 C ATOM 814 O PHE A 50 -0.505 -6.685 -4.544 1.00 0.00 O ATOM 815 CB PHE A 50 -2.642 -5.021 -3.432 1.00 0.00 C ATOM 816 CG PHE A 50 -3.935 -4.380 -3.009 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.418 -3.274 -3.686 1.00 0.00 C ATOM 818 CD2 PHE A 50 -4.663 -4.873 -1.934 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.599 -2.671 -3.303 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.843 -4.272 -1.547 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.312 -3.169 -2.232 1.00 0.00 C ATOM 0 H PHE A 50 -3.187 -7.591 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.261 -5.216 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.303 -5.687 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.884 -4.245 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.864 -2.878 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.301 -5.736 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.965 -1.809 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.400 -4.664 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.235 -2.697 -1.930 1.00 0.00 H new ATOM 831 N ASN A 51 -1.065 -5.765 -6.507 1.00 0.00 N ATOM 832 CA ASN A 51 0.284 -5.870 -7.044 1.00 0.00 C ATOM 833 C ASN A 51 1.145 -4.777 -6.434 1.00 0.00 C ATOM 834 O ASN A 51 1.110 -3.628 -6.879 1.00 0.00 O ATOM 835 CB ASN A 51 0.301 -5.759 -8.575 1.00 0.00 C ATOM 836 CG ASN A 51 -0.284 -6.976 -9.269 1.00 0.00 C ATOM 837 OD1 ASN A 51 0.420 -7.949 -9.542 1.00 0.00 O ATOM 838 ND2 ASN A 51 -1.575 -6.930 -9.565 1.00 0.00 N ATOM 0 H ASN A 51 -1.760 -5.409 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 51 0.681 -6.852 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.259 -4.873 -8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.328 -5.616 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.019 -7.719 -10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.125 -6.106 -9.322 1.00 0.00 H new ATOM 845 N VAL A 52 1.882 -5.136 -5.392 1.00 0.00 N ATOM 846 CA VAL A 52 2.685 -4.181 -4.648 1.00 0.00 C ATOM 847 C VAL A 52 3.998 -3.919 -5.367 1.00 0.00 C ATOM 848 O VAL A 52 4.733 -4.854 -5.697 1.00 0.00 O ATOM 849 CB VAL A 52 2.981 -4.679 -3.214 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.745 -3.626 -2.426 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.693 -5.056 -2.497 1.00 0.00 C ATOM 0 H VAL A 52 1.939 -6.092 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 52 2.110 -3.257 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 52 3.604 -5.571 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.943 -3.997 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.689 -3.412 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.151 -2.714 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.925 -5.403 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.041 -4.185 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.189 -5.850 -3.048 1.00 0.00 H new ATOM 861 N GLU A 53 4.273 -2.652 -5.616 1.00 0.00 N ATOM 862 CA GLU A 53 5.496 -2.251 -6.278 1.00 0.00 C ATOM 863 C GLU A 53 6.079 -1.035 -5.597 1.00 0.00 C ATOM 864 O GLU A 53 5.391 -0.037 -5.370 1.00 0.00 O ATOM 865 CB GLU A 53 5.214 -1.971 -7.752 1.00 0.00 C ATOM 866 CG GLU A 53 6.453 -1.710 -8.584 1.00 0.00 C ATOM 867 CD GLU A 53 6.114 -1.393 -10.022 1.00 0.00 C ATOM 868 OE1 GLU A 53 5.757 -2.323 -10.774 1.00 0.00 O ATOM 869 OE2 GLU A 53 6.194 -0.210 -10.408 1.00 0.00 O ATOM 0 H GLU A 53 3.658 -1.878 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 53 6.226 -3.058 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.678 -2.821 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.552 -1.108 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.011 -0.880 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.104 -2.584 -8.549 1.00 0.00 H new ATOM 876 N VAL A 54 7.347 -1.141 -5.246 1.00 0.00 N ATOM 877 CA VAL A 54 8.026 -0.085 -4.534 1.00 0.00 C ATOM 878 C VAL A 54 9.482 0.042 -4.999 1.00 0.00 C ATOM 879 O VAL A 54 10.270 -0.899 -4.880 1.00 0.00 O ATOM 880 CB VAL A 54 7.947 -0.323 -3.008 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.560 -1.651 -2.607 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.611 0.808 -2.275 1.00 0.00 C ATOM 0 H VAL A 54 7.927 -1.956 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 54 7.524 0.857 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 54 6.893 -0.359 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.482 -1.776 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.029 -2.462 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.610 -1.670 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.550 0.631 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.657 0.871 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.108 1.744 -2.518 1.00 0.00 H new ATOM 892 N PRO A 55 9.840 1.205 -5.567 1.00 0.00 N ATOM 893 CA PRO A 55 11.181 1.468 -6.108 1.00 0.00 C ATOM 894 C PRO A 55 12.284 1.466 -5.048 1.00 0.00 C ATOM 895 O PRO A 55 13.298 0.791 -5.215 1.00 0.00 O ATOM 896 CB PRO A 55 11.059 2.865 -6.732 1.00 0.00 C ATOM 897 CG PRO A 55 9.600 3.094 -6.893 1.00 0.00 C ATOM 898 CD PRO A 55 8.947 2.356 -5.763 1.00 0.00 C ATOM 0 HA PRO A 55 11.471 0.686 -6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.508 3.623 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.573 2.914 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.364 4.157 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.250 2.724 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.876 2.971 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.934 2.044 -6.016 1.00 0.00 H new ATOM 906 N GLU A 56 12.087 2.228 -3.969 1.00 0.00 N ATOM 907 CA GLU A 56 13.106 2.383 -2.922 1.00 0.00 C ATOM 908 C GLU A 56 13.676 1.043 -2.448 1.00 0.00 C ATOM 909 O GLU A 56 14.887 0.911 -2.268 1.00 0.00 O ATOM 910 CB GLU A 56 12.565 3.174 -1.715 1.00 0.00 C ATOM 911 CG GLU A 56 11.050 3.153 -1.558 1.00 0.00 C ATOM 912 CD GLU A 56 10.369 4.285 -2.307 1.00 0.00 C ATOM 913 OE1 GLU A 56 10.444 4.300 -3.550 1.00 0.00 O ATOM 914 OE2 GLU A 56 9.764 5.165 -1.653 1.00 0.00 O ATOM 0 H GLU A 56 11.228 2.750 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 56 13.918 2.947 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.015 2.774 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.892 4.210 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.664 2.200 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.797 3.219 -0.500 1.00 0.00 H new ATOM 921 N ARG A 57 12.819 0.048 -2.264 1.00 0.00 N ATOM 922 CA ARG A 57 13.269 -1.258 -1.792 1.00 0.00 C ATOM 923 C ARG A 57 13.302 -2.269 -2.935 1.00 0.00 C ATOM 924 O ARG A 57 13.666 -3.429 -2.735 1.00 0.00 O ATOM 925 CB ARG A 57 12.367 -1.761 -0.661 1.00 0.00 C ATOM 926 CG ARG A 57 12.381 -0.864 0.569 1.00 0.00 C ATOM 927 CD ARG A 57 11.645 -1.492 1.743 1.00 0.00 C ATOM 928 NE ARG A 57 10.228 -1.725 1.464 1.00 0.00 N ATOM 929 CZ ARG A 57 9.344 -2.093 2.394 1.00 0.00 C ATOM 930 NH1 ARG A 57 9.725 -2.239 3.655 1.00 0.00 N ATOM 931 NH2 ARG A 57 8.074 -2.304 2.067 1.00 0.00 N ATOM 0 H ARG A 57 11.815 0.117 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 57 14.282 -1.147 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.345 -1.842 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.683 -2.764 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.412 -0.659 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.922 0.094 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.121 -2.439 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.737 -0.842 2.613 1.00 0.00 H new ATOM 0 HE ARG A 57 9.898 -1.599 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.696 -2.070 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.047 -2.520 4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.770 -2.185 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.403 -2.585 2.782 1.00 0.00 H new ATOM 945 N ASP A 58 12.941 -1.800 -4.131 1.00 0.00 N ATOM 946 CA ASP A 58 12.827 -2.641 -5.327 1.00 0.00 C ATOM 947 C ASP A 58 12.084 -3.937 -5.019 1.00 0.00 C ATOM 948 O ASP A 58 12.636 -5.036 -5.103 1.00 0.00 O ATOM 949 CB ASP A 58 14.202 -2.936 -5.934 1.00 0.00 C ATOM 950 CG ASP A 58 14.096 -3.647 -7.269 1.00 0.00 C ATOM 951 OD1 ASP A 58 13.329 -3.178 -8.136 1.00 0.00 O ATOM 952 OD2 ASP A 58 14.781 -4.672 -7.465 1.00 0.00 O ATOM 0 H ASP A 58 12.718 -0.819 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 58 12.248 -2.085 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.748 -2.002 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.779 -3.549 -5.242 1.00 0.00 H new ATOM 957 N LEU A 59 10.826 -3.793 -4.646 1.00 0.00 N ATOM 958 CA LEU A 59 10.008 -4.931 -4.270 1.00 0.00 C ATOM 959 C LEU A 59 8.791 -5.006 -5.179 1.00 0.00 C ATOM 960 O LEU A 59 8.110 -4.001 -5.394 1.00 0.00 O ATOM 961 CB LEU A 59 9.562 -4.794 -2.812 1.00 0.00 C ATOM 962 CG LEU A 59 9.652 -6.057 -1.953 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.135 -5.765 -0.555 1.00 0.00 C ATOM 964 CD2 LEU A 59 8.875 -7.202 -2.577 1.00 0.00 C ATOM 0 H LEU A 59 10.346 -2.894 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 59 10.593 -5.845 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.165 -4.017 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.529 -4.446 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 59 10.698 -6.359 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.201 -6.667 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.737 -4.977 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.096 -5.441 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.958 -8.085 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.826 -6.921 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.282 -7.423 -3.564 1.00 0.00 H new ATOM 976 N ALA A 60 8.534 -6.184 -5.725 1.00 0.00 N ATOM 977 CA ALA A 60 7.388 -6.390 -6.592 1.00 0.00 C ATOM 978 C ALA A 60 6.795 -7.778 -6.385 1.00 0.00 C ATOM 979 O ALA A 60 7.432 -8.790 -6.684 1.00 0.00 O ATOM 980 CB ALA A 60 7.778 -6.186 -8.049 1.00 0.00 C ATOM 0 H ALA A 60 9.108 -7.015 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 60 6.627 -5.654 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.907 -6.344 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.148 -5.170 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.559 -6.897 -8.320 1.00 0.00 H new ATOM 986 N PHE A 61 5.589 -7.813 -5.843 1.00 0.00 N ATOM 987 CA PHE A 61 4.857 -9.059 -5.649 1.00 0.00 C ATOM 988 C PHE A 61 3.374 -8.752 -5.553 1.00 0.00 C ATOM 989 O PHE A 61 2.993 -7.656 -5.141 1.00 0.00 O ATOM 990 CB PHE A 61 5.323 -9.793 -4.379 1.00 0.00 C ATOM 991 CG PHE A 61 4.891 -9.138 -3.088 1.00 0.00 C ATOM 992 CD1 PHE A 61 5.463 -7.946 -2.673 1.00 0.00 C ATOM 993 CD2 PHE A 61 3.912 -9.720 -2.288 1.00 0.00 C ATOM 994 CE1 PHE A 61 5.071 -7.345 -1.492 1.00 0.00 C ATOM 995 CE2 PHE A 61 3.519 -9.120 -1.108 1.00 0.00 C ATOM 996 CZ PHE A 61 4.098 -7.932 -0.708 1.00 0.00 C ATOM 0 H PHE A 61 5.089 -6.983 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 61 5.051 -9.712 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.939 -10.813 -4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.411 -9.862 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.225 -7.481 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.455 -10.650 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.526 -6.416 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.757 -9.581 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.791 -7.463 0.215 1.00 0.00 H new ATOM 1006 N ARG A 62 2.532 -9.696 -5.929 1.00 0.00 N ATOM 1007 CA ARG A 62 1.104 -9.481 -5.826 1.00 0.00 C ATOM 1008 C ARG A 62 0.616 -9.942 -4.463 1.00 0.00 C ATOM 1009 O ARG A 62 0.245 -11.102 -4.281 1.00 0.00 O ATOM 1010 CB ARG A 62 0.349 -10.209 -6.938 1.00 0.00 C ATOM 1011 CG ARG A 62 -1.104 -9.779 -7.049 1.00 0.00 C ATOM 1012 CD ARG A 62 -1.821 -10.511 -8.169 1.00 0.00 C ATOM 1013 NE ARG A 62 -2.021 -11.925 -7.863 1.00 0.00 N ATOM 1014 CZ ARG A 62 -1.998 -12.893 -8.776 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -1.733 -12.607 -10.047 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -2.244 -14.144 -8.418 1.00 0.00 N ATOM 0 H ARG A 62 2.807 -10.604 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 62 0.907 -8.415 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.850 -10.027 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.391 -11.283 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.613 -9.970 -6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.153 -8.705 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.787 -10.040 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.244 -10.418 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.188 -12.186 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.547 -11.643 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.716 -13.351 -10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.451 -14.364 -7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.227 -14.887 -9.116 1.00 0.00 H new ATOM 1030 N GLY A 63 0.647 -9.031 -3.504 1.00 0.00 N ATOM 1031 CA GLY A 63 0.182 -9.341 -2.176 1.00 0.00 C ATOM 1032 C GLY A 63 -1.316 -9.241 -2.093 1.00 0.00 C ATOM 1033 O GLY A 63 -1.890 -8.180 -2.338 1.00 0.00 O ATOM 0 H GLY A 63 0.989 -8.078 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.499 -10.347 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.636 -8.657 -1.459 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.963 -10.340 -1.773 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.404 -10.349 -1.727 1.00 0.00 C ATOM 1039 C GLU A 64 -3.890 -9.826 -0.378 1.00 0.00 C ATOM 1040 O GLU A 64 -3.204 -9.951 0.637 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.949 -11.750 -2.010 1.00 0.00 C ATOM 1042 CG GLU A 64 -3.915 -12.694 -0.825 1.00 0.00 C ATOM 1043 CD GLU A 64 -4.935 -13.802 -0.965 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -6.132 -13.543 -0.719 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -4.558 -14.928 -1.344 1.00 0.00 O ATOM 0 H GLU A 64 -1.518 -11.229 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.783 -9.687 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.978 -11.661 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.375 -12.191 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.919 -13.126 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.107 -12.136 0.091 1.00 0.00 H new ATOM 1052 N MET A 65 -5.061 -9.221 -0.383 1.00 0.00 N ATOM 1053 CA MET A 65 -5.613 -8.616 0.813 1.00 0.00 C ATOM 1054 C MET A 65 -6.818 -9.413 1.274 1.00 0.00 C ATOM 1055 O MET A 65 -7.790 -9.579 0.539 1.00 0.00 O ATOM 1056 CB MET A 65 -5.995 -7.165 0.531 1.00 0.00 C ATOM 1057 CG MET A 65 -6.003 -6.264 1.749 1.00 0.00 C ATOM 1058 SD MET A 65 -7.324 -6.639 2.908 1.00 0.00 S ATOM 1059 CE MET A 65 -7.099 -5.291 4.057 1.00 0.00 C ATOM 0 H MET A 65 -5.653 -9.135 -1.209 1.00 0.00 H new ATOM 0 HA MET A 65 -4.866 -8.624 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.299 -6.756 -0.202 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.985 -7.146 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.045 -6.351 2.262 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.098 -5.228 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.020 -5.133 4.618 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.291 -5.532 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.848 -4.383 3.508 1.00 0.00 H new ATOM 1069 N THR A 66 -6.732 -9.921 2.482 1.00 0.00 N ATOM 1070 CA THR A 66 -7.757 -10.781 3.027 1.00 0.00 C ATOM 1071 C THR A 66 -7.990 -10.418 4.494 1.00 0.00 C ATOM 1072 O THR A 66 -8.480 -11.216 5.296 1.00 0.00 O ATOM 1073 CB THR A 66 -7.320 -12.258 2.881 1.00 0.00 C ATOM 1074 OG1 THR A 66 -8.322 -13.147 3.389 1.00 0.00 O ATOM 1075 CG2 THR A 66 -5.992 -12.499 3.592 1.00 0.00 C ATOM 0 H THR A 66 -5.950 -9.750 3.114 1.00 0.00 H new ATOM 0 HA THR A 66 -8.692 -10.645 2.484 1.00 0.00 H new ATOM 0 HB THR A 66 -7.191 -12.463 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.646 -12.815 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.702 -13.544 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.224 -11.860 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.099 -12.266 4.651 1.00 0.00 H new ATOM 1083 N ASN A 67 -7.650 -9.183 4.829 1.00 0.00 N ATOM 1084 CA ASN A 67 -7.686 -8.737 6.215 1.00 0.00 C ATOM 1085 C ASN A 67 -8.835 -7.763 6.455 1.00 0.00 C ATOM 1086 O ASN A 67 -9.346 -7.144 5.522 1.00 0.00 O ATOM 1087 CB ASN A 67 -6.354 -8.082 6.577 1.00 0.00 C ATOM 1088 CG ASN A 67 -5.191 -9.046 6.444 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -5.297 -10.226 6.783 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -4.084 -8.562 5.905 1.00 0.00 N ATOM 0 H ASN A 67 -7.347 -8.473 4.163 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.850 -9.606 6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.186 -7.221 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.400 -7.709 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.280 -9.172 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.035 -7.579 5.637 1.00 0.00 H new ATOM 1097 N TYR A 68 -9.251 -7.652 7.707 1.00 0.00 N ATOM 1098 CA TYR A 68 -10.290 -6.710 8.098 1.00 0.00 C ATOM 1099 C TYR A 68 -9.752 -5.800 9.195 1.00 0.00 C ATOM 1100 O TYR A 68 -9.755 -6.157 10.370 1.00 0.00 O ATOM 1101 CB TYR A 68 -11.538 -7.461 8.583 1.00 0.00 C ATOM 1102 CG TYR A 68 -12.755 -6.584 8.789 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -13.597 -6.272 7.729 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -13.067 -6.075 10.043 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -14.712 -5.477 7.912 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -14.180 -5.279 10.235 1.00 0.00 C ATOM 1107 CZ TYR A 68 -15.000 -4.984 9.165 1.00 0.00 C ATOM 1108 OH TYR A 68 -16.110 -4.190 9.349 1.00 0.00 O ATOM 0 H TYR A 68 -8.881 -8.209 8.477 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.575 -6.105 7.237 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.784 -8.238 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.303 -7.962 9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.376 -6.658 6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.428 -6.305 10.883 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.355 -5.243 7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.407 -4.890 11.217 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.171 -3.926 10.291 1.00 0.00 H new ATOM 1118 N SER A 69 -9.264 -4.638 8.802 1.00 0.00 N ATOM 1119 CA SER A 69 -8.615 -3.732 9.732 1.00 0.00 C ATOM 1120 C SER A 69 -9.382 -2.419 9.825 1.00 0.00 C ATOM 1121 O SER A 69 -8.825 -1.399 10.228 1.00 0.00 O ATOM 1122 CB SER A 69 -7.183 -3.470 9.267 1.00 0.00 C ATOM 1123 OG SER A 69 -6.533 -4.681 8.919 1.00 0.00 O ATOM 0 H SER A 69 -9.305 -4.298 7.841 1.00 0.00 H new ATOM 0 HA SER A 69 -8.600 -4.190 10.721 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.193 -2.798 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.626 -2.968 10.058 1.00 0.00 H new ATOM 0 HG SER A 69 -5.662 -4.725 9.366 1.00 0.00 H new ATOM 1129 N THR A 70 -10.662 -2.468 9.455 1.00 0.00 N ATOM 1130 CA THR A 70 -11.532 -1.297 9.431 1.00 0.00 C ATOM 1131 C THR A 70 -11.369 -0.440 10.683 1.00 0.00 C ATOM 1132 O THR A 70 -11.637 -0.886 11.801 1.00 0.00 O ATOM 1133 CB THR A 70 -13.002 -1.729 9.296 1.00 0.00 C ATOM 1134 OG1 THR A 70 -13.140 -2.592 8.161 1.00 0.00 O ATOM 1135 CG2 THR A 70 -13.921 -0.527 9.138 1.00 0.00 C ATOM 0 H THR A 70 -11.125 -3.328 9.162 1.00 0.00 H new ATOM 0 HA THR A 70 -11.241 -0.697 8.569 1.00 0.00 H new ATOM 0 HB THR A 70 -13.289 -2.256 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.690 -3.366 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.952 -0.867 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.829 0.119 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.641 0.030 8.244 1.00 0.00 H new ATOM 1143 N SER A 71 -10.908 0.787 10.487 1.00 0.00 N ATOM 1144 CA SER A 71 -10.698 1.704 11.589 1.00 0.00 C ATOM 1145 C SER A 71 -11.928 2.578 11.821 1.00 0.00 C ATOM 1146 O SER A 71 -12.823 2.210 12.582 1.00 0.00 O ATOM 1147 CB SER A 71 -9.469 2.563 11.319 1.00 0.00 C ATOM 1148 OG SER A 71 -9.531 3.131 10.019 1.00 0.00 O ATOM 0 H SER A 71 -10.673 1.168 9.570 1.00 0.00 H new ATOM 0 HA SER A 71 -10.532 1.123 12.496 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.401 3.355 12.065 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.568 1.958 11.414 1.00 0.00 H new ATOM 0 HG SER A 71 -8.735 3.681 9.864 1.00 0.00 H new ATOM 1303 N SER A 82 -11.450 11.017 6.157 1.00 0.00 N ATOM 1304 CA SER A 82 -11.418 9.753 6.848 1.00 0.00 C ATOM 1305 C SER A 82 -10.076 9.049 6.650 1.00 0.00 C ATOM 1306 O SER A 82 -9.238 9.514 5.888 1.00 0.00 O ATOM 1307 CB SER A 82 -12.572 8.877 6.357 1.00 0.00 C ATOM 1308 OG SER A 82 -13.824 9.453 6.683 1.00 0.00 O ATOM 0 HA SER A 82 -11.535 9.932 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.499 8.745 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.496 7.886 6.805 1.00 0.00 H new ATOM 0 HG SER A 82 -13.784 10.422 6.543 1.00 0.00 H new ATOM 1314 N GLU A 83 -9.870 7.940 7.349 1.00 0.00 N ATOM 1315 CA GLU A 83 -8.638 7.163 7.217 1.00 0.00 C ATOM 1316 C GLU A 83 -8.938 5.742 6.746 1.00 0.00 C ATOM 1317 O GLU A 83 -9.532 4.954 7.484 1.00 0.00 O ATOM 1318 CB GLU A 83 -7.892 7.097 8.552 1.00 0.00 C ATOM 1319 CG GLU A 83 -6.962 8.270 8.829 1.00 0.00 C ATOM 1320 CD GLU A 83 -7.678 9.588 9.007 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -8.708 9.625 9.715 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -7.191 10.601 8.469 1.00 0.00 O ATOM 0 H GLU A 83 -10.540 7.555 8.015 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.014 7.664 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.624 7.035 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.309 6.176 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.383 8.058 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.253 8.361 8.007 1.00 0.00 H new ATOM 1329 N PHE A 84 -8.547 5.419 5.518 1.00 0.00 N ATOM 1330 CA PHE A 84 -8.703 4.061 5.006 1.00 0.00 C ATOM 1331 C PHE A 84 -7.574 3.185 5.516 1.00 0.00 C ATOM 1332 O PHE A 84 -6.406 3.387 5.177 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.739 4.032 3.473 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.091 3.683 2.906 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.145 4.559 3.036 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.309 2.481 2.250 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.392 4.266 2.529 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.558 2.174 1.734 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.602 3.069 1.875 1.00 0.00 C ATOM 0 H PHE A 84 -8.122 6.074 4.862 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.657 3.676 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.436 5.007 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.007 3.309 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.991 5.498 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.497 1.777 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.202 4.971 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.716 1.236 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.577 2.833 1.475 1.00 0.00 H new ATOM 1349 N TYR A 85 -7.936 2.228 6.351 1.00 0.00 N ATOM 1350 CA TYR A 85 -6.976 1.327 6.959 1.00 0.00 C ATOM 1351 C TYR A 85 -6.924 0.037 6.155 1.00 0.00 C ATOM 1352 O TYR A 85 -7.755 -0.850 6.340 1.00 0.00 O ATOM 1353 CB TYR A 85 -7.395 1.038 8.407 1.00 0.00 C ATOM 1354 CG TYR A 85 -6.314 0.456 9.293 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -5.223 -0.228 8.769 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -6.402 0.585 10.670 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -4.250 -0.758 9.595 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -5.436 0.060 11.502 1.00 0.00 C ATOM 1359 CZ TYR A 85 -4.361 -0.614 10.961 1.00 0.00 C ATOM 1360 OH TYR A 85 -3.392 -1.140 11.789 1.00 0.00 O ATOM 0 H TYR A 85 -8.903 2.054 6.626 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.986 1.783 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.749 1.966 8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.239 0.348 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.134 -0.347 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.244 1.107 11.100 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.406 -1.283 9.172 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.521 0.176 12.572 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.621 -0.950 12.723 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.975 -0.049 5.240 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.849 -1.224 4.396 1.00 0.00 C ATOM 1372 C ILE A 86 -4.555 -1.958 4.724 1.00 0.00 C ATOM 1373 O ILE A 86 -3.464 -1.510 4.371 1.00 0.00 O ATOM 1374 CB ILE A 86 -5.890 -0.849 2.900 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -7.060 0.105 2.634 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -6.031 -2.103 2.050 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -7.140 0.606 1.210 1.00 0.00 C ATOM 0 H ILE A 86 -5.282 0.678 5.063 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.696 -1.880 4.595 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.959 -0.349 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.992 -0.403 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.976 0.961 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.059 -1.827 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.182 -2.762 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.954 -2.620 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.995 1.275 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.226 1.145 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.257 -0.240 0.533 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.691 -3.065 5.438 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.548 -3.841 5.889 1.00 0.00 C ATOM 1391 C GLU A 87 -3.355 -5.081 5.018 1.00 0.00 C ATOM 1392 O GLU A 87 -4.210 -5.967 4.977 1.00 0.00 O ATOM 1393 CB GLU A 87 -3.751 -4.233 7.354 1.00 0.00 C ATOM 1394 CG GLU A 87 -2.599 -5.015 7.958 1.00 0.00 C ATOM 1395 CD GLU A 87 -2.827 -5.338 9.422 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -3.464 -6.369 9.713 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -2.360 -4.564 10.287 1.00 0.00 O ATOM 0 H GLU A 87 -5.593 -3.449 5.720 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.647 -3.234 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.908 -3.328 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.661 -4.828 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.461 -5.942 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.679 -4.440 7.854 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.233 -5.134 4.316 1.00 0.00 N ATOM 1405 CA ILE A 88 -1.930 -6.242 3.420 1.00 0.00 C ATOM 1406 C ILE A 88 -0.815 -7.104 3.996 1.00 0.00 C ATOM 1407 O ILE A 88 0.277 -6.611 4.292 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.489 -5.735 2.029 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.496 -4.721 1.485 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.329 -6.902 1.058 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -2.033 -4.031 0.224 1.00 0.00 C ATOM 0 H ILE A 88 -1.510 -4.415 4.350 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.842 -6.830 3.315 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.523 -5.241 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.440 -5.229 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.693 -3.970 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.018 -6.525 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.575 -7.591 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.280 -7.425 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.796 -3.326 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.105 -3.495 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.864 -4.773 -0.556 1.00 0.00 H new ATOM 1423 N THR A 89 -1.095 -8.382 4.155 1.00 0.00 N ATOM 1424 CA THR A 89 -0.106 -9.331 4.625 1.00 0.00 C ATOM 1425 C THR A 89 0.533 -10.060 3.445 1.00 0.00 C ATOM 1426 O THR A 89 -0.169 -10.567 2.568 1.00 0.00 O ATOM 1427 CB THR A 89 -0.751 -10.347 5.587 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.094 -10.632 5.162 1.00 0.00 O ATOM 1429 CG2 THR A 89 -0.766 -9.810 7.009 1.00 0.00 C ATOM 0 H THR A 89 -2.010 -8.790 3.963 1.00 0.00 H new ATOM 0 HA THR A 89 0.669 -8.784 5.162 1.00 0.00 H new ATOM 0 HB THR A 89 -0.160 -11.263 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.501 -11.280 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.226 -10.544 7.670 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.256 -9.617 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.339 -8.883 7.042 1.00 0.00 H new ATOM 1437 N GLU A 90 1.862 -10.088 3.417 1.00 0.00 N ATOM 1438 CA GLU A 90 2.597 -10.738 2.334 1.00 0.00 C ATOM 1439 C GLU A 90 2.206 -12.212 2.206 1.00 0.00 C ATOM 1440 O GLU A 90 2.054 -12.917 3.210 1.00 0.00 O ATOM 1441 CB GLU A 90 4.108 -10.615 2.565 1.00 0.00 C ATOM 1442 CG GLU A 90 4.949 -11.331 1.517 1.00 0.00 C ATOM 1443 CD GLU A 90 6.437 -11.157 1.736 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.850 -10.916 2.889 1.00 0.00 O ATOM 1445 OE2 GLU A 90 7.201 -11.249 0.753 1.00 0.00 O ATOM 0 H GLU A 90 2.454 -9.667 4.133 1.00 0.00 H new ATOM 0 HA GLU A 90 2.336 -10.234 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.380 -9.559 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.350 -11.017 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.707 -12.394 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.686 -10.955 0.528 1.00 0.00 H new ATOM 1452 N ILE A 91 2.039 -12.662 0.967 1.00 0.00 N ATOM 1453 CA ILE A 91 1.723 -14.055 0.696 1.00 0.00 C ATOM 1454 C ILE A 91 2.983 -14.910 0.733 1.00 0.00 C ATOM 1455 O ILE A 91 4.094 -14.406 0.567 1.00 0.00 O ATOM 1456 CB ILE A 91 0.972 -14.256 -0.646 1.00 0.00 C ATOM 1457 CG1 ILE A 91 1.144 -13.065 -1.599 1.00 0.00 C ATOM 1458 CG2 ILE A 91 -0.498 -14.491 -0.381 1.00 0.00 C ATOM 1459 CD1 ILE A 91 2.518 -12.963 -2.222 1.00 0.00 C ATOM 0 H ILE A 91 2.118 -12.078 0.134 1.00 0.00 H new ATOM 0 HA ILE A 91 1.046 -14.378 1.487 1.00 0.00 H new ATOM 0 HB ILE A 91 1.409 -15.128 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.402 -13.140 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.935 -12.145 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.020 -14.631 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.619 -15.382 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.916 -13.630 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.555 -12.096 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.266 -12.855 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.724 -13.865 -2.798 1.00 0.00 H new ATOM 1471 N ASP A 92 2.805 -16.203 0.949 1.00 0.00 N ATOM 1472 CA ASP A 92 3.925 -17.078 1.256 1.00 0.00 C ATOM 1473 C ASP A 92 4.431 -17.828 0.030 1.00 0.00 C ATOM 1474 O ASP A 92 3.997 -17.581 -1.097 1.00 0.00 O ATOM 1475 CB ASP A 92 3.529 -18.075 2.347 1.00 0.00 C ATOM 1476 CG ASP A 92 3.209 -17.395 3.658 1.00 0.00 C ATOM 1477 OD1 ASP A 92 2.056 -16.958 3.845 1.00 0.00 O ATOM 1478 OD2 ASP A 92 4.108 -17.285 4.513 1.00 0.00 O ATOM 0 H ASP A 92 1.898 -16.669 0.918 1.00 0.00 H new ATOM 0 HA ASP A 92 4.739 -16.445 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.662 -18.647 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.341 -18.786 2.498 1.00 0.00 H new