USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -141:sc= 0 (180deg=-0.382) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 149:sc= 0.324 (180deg=0) USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.557 K(o=0.88,f=-2.6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 ASN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.667 K(o=0.67,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.28 K(o=0.28,f=-4.3!) USER MOD Single : A 46 MET CE :methyl 171:sc= -0.431 (180deg=-0.544) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 172:sc= -0.433 (180deg=-0.6) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0614 X(o=0.061,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 174:sc= -1.96 (180deg=-2.32) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.576 K(o=0.58,f=-3.7!) USER MOD Single : A 69 GLN : amide:sc= 0.505 K(o=0.51,f=-0.008) USER MOD Single : A 71 GLN : amide:sc= 0.889 K(o=0.89,f=-0.33) USER MOD Single : A 72 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.49) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.359 USER MOD Single : A 88 GLN : amide:sc= 0.122 X(o=0.12,f=-0.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.359 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 156:sc= 0 (180deg=-0.853) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.968) USER MOD Single : A 105 ASN : amide:sc= 1.17 K(o=1.2,f=-0.79) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.403 12.146 9.984 1.00 0.00 N ATOM 2 CA GLN A 23 3.805 12.574 9.994 1.00 0.00 C ATOM 3 C GLN A 23 4.701 11.654 9.136 1.00 0.00 C ATOM 4 O GLN A 23 4.264 10.615 8.627 1.00 0.00 O ATOM 5 CB GLN A 23 4.324 12.658 11.446 1.00 0.00 C ATOM 6 CG GLN A 23 3.540 13.662 12.313 1.00 0.00 C ATOM 7 CD GLN A 23 4.077 13.798 13.741 1.00 0.00 C ATOM 8 OE1 GLN A 23 5.046 13.173 14.159 1.00 0.00 O ATOM 9 NE2 GLN A 23 3.465 14.631 14.559 1.00 0.00 N ATOM 0 HA GLN A 23 3.853 13.566 9.544 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.267 11.670 11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.376 12.943 11.433 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.564 14.640 11.831 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.496 13.353 12.356 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.657 15.162 14.235 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.800 14.744 15.516 1.00 0.00 H new ATOM 18 N ILE A 24 5.974 12.034 8.978 1.00 0.00 N ATOM 19 CA ILE A 24 6.991 11.274 8.232 1.00 0.00 C ATOM 20 C ILE A 24 7.177 9.884 8.871 1.00 0.00 C ATOM 21 O ILE A 24 7.444 9.774 10.071 1.00 0.00 O ATOM 22 CB ILE A 24 8.325 12.059 8.202 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.176 13.466 7.568 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.414 11.287 7.432 1.00 0.00 C ATOM 25 CD1 ILE A 24 9.141 14.474 8.203 1.00 0.00 C ATOM 0 H ILE A 24 6.338 12.901 9.375 1.00 0.00 H new ATOM 0 HA ILE A 24 6.658 11.136 7.203 1.00 0.00 H new ATOM 0 HB ILE A 24 8.620 12.177 9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.365 13.405 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.151 13.815 7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.338 11.866 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.589 10.326 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.086 11.123 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.009 15.449 7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.934 14.553 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.167 14.137 8.057 1.00 0.00 H new ATOM 37 N ASN A 25 7.041 8.827 8.061 1.00 0.00 N ATOM 38 CA ASN A 25 7.293 7.434 8.456 1.00 0.00 C ATOM 39 C ASN A 25 8.706 7.008 8.004 1.00 0.00 C ATOM 40 O ASN A 25 9.690 7.550 8.512 1.00 0.00 O ATOM 41 CB ASN A 25 6.116 6.534 8.016 1.00 0.00 C ATOM 42 CG ASN A 25 4.944 6.574 8.991 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.664 5.609 9.690 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.220 7.667 9.093 1.00 0.00 N ATOM 0 H ASN A 25 6.746 8.918 7.089 1.00 0.00 H new ATOM 0 HA ASN A 25 7.315 7.319 9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.773 6.848 7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.467 5.507 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.438 7.702 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.440 8.480 8.518 1.00 0.00 H new ATOM 51 N GLN A 26 8.840 6.074 7.056 1.00 0.00 N ATOM 52 CA GLN A 26 10.120 5.638 6.514 1.00 0.00 C ATOM 53 C GLN A 26 10.498 6.480 5.294 1.00 0.00 C ATOM 54 O GLN A 26 9.703 6.698 4.381 1.00 0.00 O ATOM 55 CB GLN A 26 10.090 4.125 6.200 1.00 0.00 C ATOM 56 CG GLN A 26 9.506 3.698 4.833 1.00 0.00 C ATOM 57 CD GLN A 26 8.004 3.884 4.627 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.238 4.271 5.501 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.532 3.598 3.431 1.00 0.00 N ATOM 0 H GLN A 26 8.042 5.594 6.639 1.00 0.00 H new ATOM 0 HA GLN A 26 10.896 5.792 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.110 3.746 6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.516 3.629 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.026 4.257 4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.740 2.645 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.163 3.275 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.536 3.699 3.238 1.00 0.00 H new ATOM 68 N VAL A 27 11.751 6.903 5.252 1.00 0.00 N ATOM 69 CA VAL A 27 12.381 7.539 4.084 1.00 0.00 C ATOM 70 C VAL A 27 13.905 7.555 4.179 1.00 0.00 C ATOM 71 O VAL A 27 14.468 7.697 5.263 1.00 0.00 O ATOM 72 CB VAL A 27 11.862 8.986 3.874 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.821 9.804 5.170 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.705 9.749 2.831 1.00 0.00 C ATOM 0 H VAL A 27 12.384 6.815 6.047 1.00 0.00 H new ATOM 0 HA VAL A 27 12.100 6.930 3.225 1.00 0.00 H new ATOM 0 HB VAL A 27 10.841 8.872 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.449 10.806 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.160 9.317 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.825 9.871 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.310 10.758 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.740 9.802 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.661 9.227 1.875 1.00 0.00 H new ATOM 84 N ARG A 28 14.554 7.458 3.011 1.00 0.00 N ATOM 85 CA ARG A 28 15.980 7.728 2.806 1.00 0.00 C ATOM 86 C ARG A 28 16.262 7.888 1.292 1.00 0.00 C ATOM 87 O ARG A 28 16.022 6.932 0.551 1.00 0.00 O ATOM 88 CB ARG A 28 16.833 6.596 3.430 1.00 0.00 C ATOM 89 CG ARG A 28 18.148 7.158 3.989 1.00 0.00 C ATOM 90 CD ARG A 28 17.927 7.994 5.264 1.00 0.00 C ATOM 91 NE ARG A 28 18.961 9.032 5.401 1.00 0.00 N ATOM 92 CZ ARG A 28 20.120 8.944 6.027 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.463 7.916 6.753 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.968 9.919 5.908 1.00 0.00 N ATOM 0 H ARG A 28 14.081 7.179 2.152 1.00 0.00 H new ATOM 0 HA ARG A 28 16.255 8.658 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.272 6.107 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.046 5.837 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.828 6.335 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.629 7.775 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.942 8.459 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.943 7.342 6.138 1.00 0.00 H new ATOM 0 HE ARG A 28 18.758 9.928 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.822 7.129 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.372 7.899 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.733 10.733 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.869 9.872 6.383 1.00 0.00 H new ATOM 108 N PRO A 29 16.677 9.072 0.799 1.00 0.00 N ATOM 109 CA PRO A 29 16.860 9.343 -0.631 1.00 0.00 C ATOM 110 C PRO A 29 18.324 9.223 -1.092 1.00 0.00 C ATOM 111 O PRO A 29 19.235 8.981 -0.296 1.00 0.00 O ATOM 112 CB PRO A 29 16.331 10.773 -0.801 1.00 0.00 C ATOM 113 CG PRO A 29 16.843 11.439 0.467 1.00 0.00 C ATOM 114 CD PRO A 29 16.677 10.340 1.521 1.00 0.00 C ATOM 0 HA PRO A 29 16.335 8.613 -1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.720 11.250 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.244 10.803 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.883 11.750 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.266 12.329 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.489 10.373 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.748 10.471 2.075 1.00 0.00 H new ATOM 122 N LYS A 30 18.540 9.447 -2.397 1.00 0.00 N ATOM 123 CA LYS A 30 19.868 9.621 -3.010 1.00 0.00 C ATOM 124 C LYS A 30 20.150 11.114 -3.141 1.00 0.00 C ATOM 125 O LYS A 30 19.220 11.884 -3.380 1.00 0.00 O ATOM 126 CB LYS A 30 19.928 8.908 -4.376 1.00 0.00 C ATOM 127 CG LYS A 30 21.256 8.157 -4.545 1.00 0.00 C ATOM 128 CD LYS A 30 21.523 7.707 -5.989 1.00 0.00 C ATOM 129 CE LYS A 30 22.680 6.703 -5.982 1.00 0.00 C ATOM 130 NZ LYS A 30 23.067 6.281 -7.358 1.00 0.00 N ATOM 0 H LYS A 30 17.779 9.514 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 30 20.635 9.170 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.097 8.208 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.814 9.638 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.073 8.799 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.256 7.283 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.629 7.251 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.771 8.566 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.542 7.148 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.394 5.826 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.853 5.602 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.253 5.833 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.365 7.113 -7.905 1.00 0.00 H new ATOM 144 N LEU A 31 21.408 11.538 -3.064 1.00 0.00 N ATOM 145 CA LEU A 31 21.760 12.972 -3.073 1.00 0.00 C ATOM 146 C LEU A 31 21.300 13.726 -4.342 1.00 0.00 C ATOM 147 O LEU A 31 20.744 14.816 -4.196 1.00 0.00 O ATOM 148 CB LEU A 31 23.262 13.132 -2.750 1.00 0.00 C ATOM 149 CG LEU A 31 23.789 14.583 -2.733 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.083 15.459 -1.695 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.283 14.579 -2.410 1.00 0.00 C ATOM 0 H LEU A 31 22.211 10.913 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 31 21.192 13.466 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.456 12.682 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.836 12.565 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 31 23.592 14.999 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.495 16.467 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.016 15.495 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.234 15.039 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.655 15.603 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.443 14.123 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.818 14.007 -3.169 1.00 0.00 H new ATOM 163 N PRO A 32 21.387 13.154 -5.561 1.00 0.00 N ATOM 164 CA PRO A 32 20.849 13.804 -6.760 1.00 0.00 C ATOM 165 C PRO A 32 19.325 13.999 -6.737 1.00 0.00 C ATOM 166 O PRO A 32 18.823 14.942 -7.347 1.00 0.00 O ATOM 167 CB PRO A 32 21.292 12.925 -7.936 1.00 0.00 C ATOM 168 CG PRO A 32 22.511 12.177 -7.406 1.00 0.00 C ATOM 169 CD PRO A 32 22.148 11.969 -5.942 1.00 0.00 C ATOM 0 HA PRO A 32 21.233 14.821 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.503 12.237 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.543 13.526 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.666 11.231 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.426 12.757 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.557 11.063 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.041 11.861 -5.327 1.00 0.00 H new ATOM 177 N LEU A 33 18.578 13.157 -6.006 1.00 0.00 N ATOM 178 CA LEU A 33 17.115 13.261 -5.926 1.00 0.00 C ATOM 179 C LEU A 33 16.698 14.148 -4.749 1.00 0.00 C ATOM 180 O LEU A 33 15.792 14.958 -4.903 1.00 0.00 O ATOM 181 CB LEU A 33 16.461 11.856 -5.973 1.00 0.00 C ATOM 182 CG LEU A 33 15.799 11.495 -7.327 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.557 12.359 -7.571 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.743 11.652 -8.521 1.00 0.00 C ATOM 0 H LEU A 33 18.969 12.391 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 33 16.726 13.773 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.221 11.109 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.708 11.794 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 33 15.526 10.443 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.108 12.089 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.835 12.193 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.843 13.411 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.218 11.384 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.079 12.687 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.605 10.998 -8.392 1.00 0.00 H new ATOM 196 N LEU A 34 17.423 14.103 -3.626 1.00 0.00 N ATOM 197 CA LEU A 34 17.297 15.061 -2.516 1.00 0.00 C ATOM 198 C LEU A 34 17.418 16.504 -3.050 1.00 0.00 C ATOM 199 O LEU A 34 16.604 17.352 -2.707 1.00 0.00 O ATOM 200 CB LEU A 34 18.396 14.739 -1.496 1.00 0.00 C ATOM 201 CG LEU A 34 18.410 15.529 -0.167 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.675 15.036 0.552 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.599 17.039 -0.274 1.00 0.00 C ATOM 0 H LEU A 34 18.129 13.386 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 34 16.323 14.979 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.325 13.679 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.359 14.890 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 34 17.443 15.366 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.770 15.544 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.604 13.961 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.550 15.252 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.591 17.478 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.552 17.253 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.789 17.466 -0.865 1.00 0.00 H new ATOM 215 N LYS A 35 18.376 16.787 -3.948 1.00 0.00 N ATOM 216 CA LYS A 35 18.536 18.121 -4.565 1.00 0.00 C ATOM 217 C LYS A 35 17.324 18.552 -5.402 1.00 0.00 C ATOM 218 O LYS A 35 16.890 19.693 -5.263 1.00 0.00 O ATOM 219 CB LYS A 35 19.857 18.181 -5.350 1.00 0.00 C ATOM 220 CG LYS A 35 21.117 18.246 -4.461 1.00 0.00 C ATOM 221 CD LYS A 35 21.333 19.590 -3.731 1.00 0.00 C ATOM 222 CE LYS A 35 20.723 19.647 -2.318 1.00 0.00 C ATOM 223 NZ LYS A 35 20.924 20.982 -1.685 1.00 0.00 N ATOM 0 H LYS A 35 19.061 16.102 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 35 18.585 18.855 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.925 17.304 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.840 19.054 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.060 17.451 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.991 18.041 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.403 19.784 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.903 20.391 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.657 19.427 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.176 18.876 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.130 21.186 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.812 20.980 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.970 21.713 -2.423 1.00 0.00 H new ATOM 237 N ILE A 36 16.710 17.651 -6.178 1.00 0.00 N ATOM 238 CA ILE A 36 15.410 17.897 -6.828 1.00 0.00 C ATOM 239 C ILE A 36 14.334 18.175 -5.768 1.00 0.00 C ATOM 240 O ILE A 36 13.524 19.082 -5.942 1.00 0.00 O ATOM 241 CB ILE A 36 15.066 16.686 -7.734 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.525 16.876 -9.192 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.567 16.328 -7.782 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.913 17.466 -9.450 1.00 0.00 C ATOM 0 H ILE A 36 17.098 16.729 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 36 15.457 18.783 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 36 15.614 15.873 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.482 15.903 -9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.795 17.516 -9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.419 15.471 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.220 16.081 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.002 17.179 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.085 17.535 -10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.974 18.461 -9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.671 16.823 -9.002 1.00 0.00 H new ATOM 256 N LEU A 37 14.358 17.451 -4.644 1.00 0.00 N ATOM 257 CA LEU A 37 13.377 17.576 -3.564 1.00 0.00 C ATOM 258 C LEU A 37 13.455 18.942 -2.872 1.00 0.00 C ATOM 259 O LEU A 37 12.444 19.637 -2.769 1.00 0.00 O ATOM 260 CB LEU A 37 13.414 16.334 -2.648 1.00 0.00 C ATOM 261 CG LEU A 37 12.940 15.082 -3.421 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.375 13.761 -2.793 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.423 15.038 -3.558 1.00 0.00 C ATOM 0 H LEU A 37 15.074 16.749 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 37 12.369 17.575 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.427 16.178 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.777 16.496 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 37 13.419 15.182 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.003 12.932 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.463 13.719 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.970 13.687 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.133 14.142 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.969 15.019 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.081 15.921 -4.097 1.00 0.00 H new ATOM 275 N HIS A 38 14.661 19.397 -2.521 1.00 0.00 N ATOM 276 CA HIS A 38 14.896 20.769 -2.028 1.00 0.00 C ATOM 277 C HIS A 38 14.441 21.818 -3.059 1.00 0.00 C ATOM 278 O HIS A 38 13.699 22.739 -2.720 1.00 0.00 O ATOM 279 CB HIS A 38 16.401 21.011 -1.793 1.00 0.00 C ATOM 280 CG HIS A 38 16.954 20.569 -0.468 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.184 20.983 0.058 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.362 19.708 0.403 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.299 20.363 1.245 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.224 19.590 1.466 1.00 0.00 N ATOM 0 H HIS A 38 15.507 18.829 -2.568 1.00 0.00 H new ATOM 0 HA HIS A 38 14.329 20.868 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.955 20.501 -2.581 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.596 22.077 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.408 19.217 0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.134 20.471 1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.072 19.009 2.290 1.00 0.00 H new ATOM 292 N ALA A 39 14.859 21.673 -4.324 1.00 0.00 N ATOM 293 CA ALA A 39 14.598 22.653 -5.385 1.00 0.00 C ATOM 294 C ALA A 39 13.100 22.781 -5.729 1.00 0.00 C ATOM 295 O ALA A 39 12.626 23.870 -6.060 1.00 0.00 O ATOM 296 CB ALA A 39 15.429 22.264 -6.613 1.00 0.00 C ATOM 0 H ALA A 39 15.393 20.864 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 39 14.894 23.640 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.250 22.980 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.487 22.268 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.141 21.267 -6.946 1.00 0.00 H new ATOM 302 N ALA A 40 12.341 21.690 -5.587 1.00 0.00 N ATOM 303 CA ALA A 40 10.881 21.666 -5.694 1.00 0.00 C ATOM 304 C ALA A 40 10.130 22.295 -4.498 1.00 0.00 C ATOM 305 O ALA A 40 8.901 22.395 -4.544 1.00 0.00 O ATOM 306 CB ALA A 40 10.459 20.211 -5.879 1.00 0.00 C ATOM 0 H ALA A 40 12.739 20.772 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 40 10.605 22.288 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.374 20.155 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.914 19.813 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.788 19.625 -5.021 1.00 0.00 H new ATOM 312 N GLY A 41 10.842 22.699 -3.439 1.00 0.00 N ATOM 313 CA GLY A 41 10.303 23.413 -2.274 1.00 0.00 C ATOM 314 C GLY A 41 10.640 22.798 -0.907 1.00 0.00 C ATOM 315 O GLY A 41 10.275 23.389 0.113 1.00 0.00 O ATOM 0 H GLY A 41 11.846 22.532 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.675 24.437 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.219 23.466 -2.372 1.00 0.00 H new ATOM 319 N ALA A 42 11.313 21.640 -0.854 1.00 0.00 N ATOM 320 CA ALA A 42 11.624 20.955 0.402 1.00 0.00 C ATOM 321 C ALA A 42 12.857 21.519 1.152 1.00 0.00 C ATOM 322 O ALA A 42 13.424 22.568 0.835 1.00 0.00 O ATOM 323 CB ALA A 42 11.710 19.435 0.160 1.00 0.00 C ATOM 0 H ALA A 42 11.656 21.154 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 42 10.800 21.154 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.942 18.930 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.755 19.073 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.494 19.226 -0.568 1.00 0.00 H new ATOM 329 N GLN A 43 13.235 20.771 2.183 1.00 0.00 N ATOM 330 CA GLN A 43 14.265 21.002 3.201 1.00 0.00 C ATOM 331 C GLN A 43 14.517 19.658 3.920 1.00 0.00 C ATOM 332 O GLN A 43 13.591 18.856 4.072 1.00 0.00 O ATOM 333 CB GLN A 43 13.783 22.090 4.185 1.00 0.00 C ATOM 334 CG GLN A 43 14.777 22.430 5.310 1.00 0.00 C ATOM 335 CD GLN A 43 16.140 22.883 4.785 1.00 0.00 C ATOM 336 OE1 GLN A 43 17.040 22.082 4.564 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.340 24.161 4.538 1.00 0.00 N ATOM 0 H GLN A 43 12.772 19.877 2.348 1.00 0.00 H new ATOM 0 HA GLN A 43 15.195 21.355 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.568 22.999 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.845 21.764 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.355 23.217 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.911 21.555 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.598 24.837 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.237 24.474 4.167 1.00 0.00 H new ATOM 346 N GLY A 44 15.753 19.396 4.354 1.00 0.00 N ATOM 347 CA GLY A 44 16.185 18.083 4.841 1.00 0.00 C ATOM 348 C GLY A 44 16.163 17.033 3.724 1.00 0.00 C ATOM 349 O GLY A 44 15.969 17.349 2.554 1.00 0.00 O ATOM 0 H GLY A 44 16.491 20.099 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.192 18.159 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.534 17.764 5.655 1.00 0.00 H new ATOM 353 N GLU A 45 16.368 15.771 4.072 1.00 0.00 N ATOM 354 CA GLU A 45 16.262 14.631 3.154 1.00 0.00 C ATOM 355 C GLU A 45 15.151 13.652 3.528 1.00 0.00 C ATOM 356 O GLU A 45 15.046 12.582 2.935 1.00 0.00 O ATOM 357 CB GLU A 45 17.642 13.977 3.042 1.00 0.00 C ATOM 358 CG GLU A 45 18.021 13.151 4.279 1.00 0.00 C ATOM 359 CD GLU A 45 19.479 12.674 4.218 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.410 13.487 4.436 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.703 11.458 4.011 1.00 0.00 O ATOM 0 H GLU A 45 16.619 15.498 5.022 1.00 0.00 H new ATOM 0 HA GLU A 45 15.959 14.990 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.662 13.333 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.393 14.752 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.872 13.751 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.359 12.289 4.358 1.00 0.00 H new ATOM 368 N MET A 46 14.316 14.004 4.509 1.00 0.00 N ATOM 369 CA MET A 46 13.381 13.039 5.097 1.00 0.00 C ATOM 370 C MET A 46 11.918 13.393 4.740 1.00 0.00 C ATOM 371 O MET A 46 11.256 14.163 5.436 1.00 0.00 O ATOM 372 CB MET A 46 13.592 12.943 6.621 1.00 0.00 C ATOM 373 CG MET A 46 15.041 12.634 7.034 1.00 0.00 C ATOM 374 SD MET A 46 15.692 11.024 6.507 1.00 0.00 S ATOM 375 CE MET A 46 14.772 9.947 7.639 1.00 0.00 C ATOM 0 H MET A 46 14.267 14.940 4.910 1.00 0.00 H new ATOM 0 HA MET A 46 13.585 12.056 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.287 13.884 7.080 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.938 12.167 7.020 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.687 13.414 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.109 12.693 8.120 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.923 8.906 7.354 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.129 10.100 8.658 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.710 10.187 7.587 1.00 0.00 H new ATOM 385 N PHE A 47 11.415 12.819 3.645 1.00 0.00 N ATOM 386 CA PHE A 47 10.052 12.989 3.097 1.00 0.00 C ATOM 387 C PHE A 47 9.491 11.679 2.494 1.00 0.00 C ATOM 388 O PHE A 47 10.149 11.027 1.690 1.00 0.00 O ATOM 389 CB PHE A 47 10.039 14.135 2.054 1.00 0.00 C ATOM 390 CG PHE A 47 11.391 14.652 1.583 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.277 13.799 0.897 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.785 15.973 1.872 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.549 14.259 0.516 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.045 16.440 1.457 1.00 0.00 C ATOM 395 CZ PHE A 47 13.919 15.591 0.763 1.00 0.00 C ATOM 0 H PHE A 47 11.976 12.183 3.077 1.00 0.00 H new ATOM 0 HA PHE A 47 9.394 13.254 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.484 13.793 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.484 14.972 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.978 12.788 0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.119 16.628 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.243 13.587 0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.340 17.456 1.674 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.874 15.960 0.419 1.00 0.00 H new ATOM 405 N THR A 48 8.272 11.277 2.864 1.00 0.00 N ATOM 406 CA THR A 48 7.676 9.962 2.507 1.00 0.00 C ATOM 407 C THR A 48 7.159 9.908 1.059 1.00 0.00 C ATOM 408 O THR A 48 7.208 10.909 0.350 1.00 0.00 O ATOM 409 CB THR A 48 6.584 9.545 3.531 1.00 0.00 C ATOM 410 OG1 THR A 48 6.275 10.595 4.429 1.00 0.00 O ATOM 411 CG2 THR A 48 7.078 8.380 4.389 1.00 0.00 C ATOM 0 H THR A 48 7.652 11.857 3.429 1.00 0.00 H new ATOM 0 HA THR A 48 8.481 9.229 2.560 1.00 0.00 H new ATOM 0 HB THR A 48 5.704 9.275 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.584 10.296 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.303 8.099 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.308 7.529 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.976 8.681 4.929 1.00 0.00 H new ATOM 419 N VAL A 49 6.632 8.756 0.595 1.00 0.00 N ATOM 420 CA VAL A 49 6.183 8.529 -0.812 1.00 0.00 C ATOM 421 C VAL A 49 5.302 9.673 -1.329 1.00 0.00 C ATOM 422 O VAL A 49 5.503 10.199 -2.422 1.00 0.00 O ATOM 423 CB VAL A 49 5.347 7.225 -0.952 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.277 6.787 -2.420 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.835 6.043 -0.105 1.00 0.00 C ATOM 0 H VAL A 49 6.500 7.938 1.190 1.00 0.00 H new ATOM 0 HA VAL A 49 7.102 8.462 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 49 4.362 7.490 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.688 5.873 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.808 7.573 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.284 6.603 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.187 5.183 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.856 5.789 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.809 6.316 0.950 1.00 0.00 H new ATOM 435 N LYS A 50 4.356 10.078 -0.479 1.00 0.00 N ATOM 436 CA LYS A 50 3.351 11.123 -0.723 1.00 0.00 C ATOM 437 C LYS A 50 4.000 12.489 -0.958 1.00 0.00 C ATOM 438 O LYS A 50 3.668 13.182 -1.916 1.00 0.00 O ATOM 439 CB LYS A 50 2.407 11.172 0.492 1.00 0.00 C ATOM 440 CG LYS A 50 1.594 9.876 0.679 1.00 0.00 C ATOM 441 CD LYS A 50 0.776 9.863 1.981 1.00 0.00 C ATOM 442 CE LYS A 50 1.667 9.830 3.238 1.00 0.00 C ATOM 443 NZ LYS A 50 0.850 9.683 4.476 1.00 0.00 N ATOM 0 H LYS A 50 4.263 9.665 0.449 1.00 0.00 H new ATOM 0 HA LYS A 50 2.793 10.882 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.993 11.360 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.721 12.011 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.920 9.751 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.273 9.024 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.139 10.747 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.117 8.995 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.373 9.002 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.255 10.746 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.477 9.664 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.194 10.486 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.308 8.796 4.431 1.00 0.00 H new ATOM 457 N GLU A 51 4.977 12.831 -0.119 1.00 0.00 N ATOM 458 CA GLU A 51 5.759 14.068 -0.211 1.00 0.00 C ATOM 459 C GLU A 51 6.655 14.057 -1.456 1.00 0.00 C ATOM 460 O GLU A 51 6.642 15.005 -2.237 1.00 0.00 O ATOM 461 CB GLU A 51 6.618 14.231 1.056 1.00 0.00 C ATOM 462 CG GLU A 51 5.823 14.372 2.361 1.00 0.00 C ATOM 463 CD GLU A 51 4.955 15.646 2.380 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.473 16.732 2.736 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.746 15.569 2.053 1.00 0.00 O ATOM 0 H GLU A 51 5.256 12.241 0.665 1.00 0.00 H new ATOM 0 HA GLU A 51 5.071 14.909 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.280 13.369 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.252 15.110 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.185 13.498 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.513 14.392 3.204 1.00 0.00 H new ATOM 472 N VAL A 52 7.390 12.964 -1.687 1.00 0.00 N ATOM 473 CA VAL A 52 8.323 12.823 -2.818 1.00 0.00 C ATOM 474 C VAL A 52 7.607 12.941 -4.161 1.00 0.00 C ATOM 475 O VAL A 52 8.030 13.727 -5.007 1.00 0.00 O ATOM 476 CB VAL A 52 9.112 11.504 -2.697 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.864 11.098 -3.969 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.138 11.656 -1.571 1.00 0.00 C ATOM 0 H VAL A 52 7.356 12.139 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 52 9.036 13.647 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 52 8.377 10.723 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.391 10.160 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.154 10.970 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.582 11.875 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.707 10.732 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.817 12.476 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.622 11.869 -0.635 1.00 0.00 H new ATOM 488 N MET A 53 6.495 12.227 -4.357 1.00 0.00 N ATOM 489 CA MET A 53 5.731 12.321 -5.606 1.00 0.00 C ATOM 490 C MET A 53 5.071 13.693 -5.767 1.00 0.00 C ATOM 491 O MET A 53 5.086 14.237 -6.869 1.00 0.00 O ATOM 492 CB MET A 53 4.682 11.202 -5.677 1.00 0.00 C ATOM 493 CG MET A 53 5.328 9.816 -5.789 1.00 0.00 C ATOM 494 SD MET A 53 6.473 9.563 -7.182 1.00 0.00 S ATOM 495 CE MET A 53 5.371 9.852 -8.593 1.00 0.00 C ATOM 0 H MET A 53 6.105 11.581 -3.671 1.00 0.00 H new ATOM 0 HA MET A 53 6.432 12.199 -6.432 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.053 11.238 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.031 11.369 -6.535 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.867 9.615 -4.863 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.533 9.074 -5.862 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.956 9.873 -9.513 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.635 9.050 -8.650 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.860 10.806 -8.466 1.00 0.00 H new ATOM 505 N HIS A 54 4.575 14.299 -4.682 1.00 0.00 N ATOM 506 CA HIS A 54 4.063 15.678 -4.711 1.00 0.00 C ATOM 507 C HIS A 54 5.134 16.658 -5.203 1.00 0.00 C ATOM 508 O HIS A 54 4.915 17.358 -6.191 1.00 0.00 O ATOM 509 CB HIS A 54 3.536 16.089 -3.328 1.00 0.00 C ATOM 510 CG HIS A 54 3.087 17.529 -3.269 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.923 18.043 -3.851 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.772 18.549 -2.673 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.931 19.361 -3.585 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.026 19.690 -2.877 1.00 0.00 N ATOM 0 H HIS A 54 4.516 13.854 -3.766 1.00 0.00 H new ATOM 0 HA HIS A 54 3.234 15.714 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.701 15.443 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.317 15.928 -2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.712 18.476 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.166 20.057 -3.896 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.264 20.625 -2.547 1.00 0.00 H new ATOM 522 N TYR A 55 6.318 16.652 -4.583 1.00 0.00 N ATOM 523 CA TYR A 55 7.450 17.492 -4.987 1.00 0.00 C ATOM 524 C TYR A 55 7.912 17.220 -6.428 1.00 0.00 C ATOM 525 O TYR A 55 8.205 18.172 -7.150 1.00 0.00 O ATOM 526 CB TYR A 55 8.613 17.314 -3.998 1.00 0.00 C ATOM 527 CG TYR A 55 8.447 18.020 -2.661 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.245 19.415 -2.617 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.531 17.292 -1.457 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.092 20.072 -1.381 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.371 17.943 -0.217 1.00 0.00 C ATOM 532 CZ TYR A 55 8.148 19.337 -0.177 1.00 0.00 C ATOM 533 OH TYR A 55 8.000 19.983 1.014 1.00 0.00 O ATOM 0 H TYR A 55 6.520 16.058 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 55 7.109 18.527 -4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.750 16.249 -3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.527 17.675 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.207 19.982 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.719 16.229 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.932 21.140 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.419 17.377 0.701 1.00 0.00 H new ATOM 0 HH TYR A 55 8.063 19.336 1.747 1.00 0.00 H new ATOM 543 N LEU A 56 7.916 15.965 -6.893 1.00 0.00 N ATOM 544 CA LEU A 56 8.239 15.630 -8.287 1.00 0.00 C ATOM 545 C LEU A 56 7.213 16.247 -9.256 1.00 0.00 C ATOM 546 O LEU A 56 7.594 16.865 -10.251 1.00 0.00 O ATOM 547 CB LEU A 56 8.315 14.096 -8.435 1.00 0.00 C ATOM 548 CG LEU A 56 9.596 13.461 -7.862 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.431 11.946 -7.739 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.791 13.710 -8.776 1.00 0.00 C ATOM 0 H LEU A 56 7.696 15.154 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 56 9.209 16.054 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.452 13.653 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.240 13.842 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 56 9.767 13.916 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.345 11.512 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.597 11.724 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.234 11.520 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.680 13.250 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.596 13.275 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.952 14.783 -8.880 1.00 0.00 H new ATOM 562 N GLY A 57 5.922 16.159 -8.922 1.00 0.00 N ATOM 563 CA GLY A 57 4.838 16.782 -9.682 1.00 0.00 C ATOM 564 C GLY A 57 4.970 18.305 -9.743 1.00 0.00 C ATOM 565 O GLY A 57 4.946 18.877 -10.837 1.00 0.00 O ATOM 0 H GLY A 57 5.597 15.645 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.830 16.380 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.882 16.521 -9.228 1.00 0.00 H new ATOM 569 N GLN A 58 5.224 18.955 -8.595 1.00 0.00 N ATOM 570 CA GLN A 58 5.508 20.396 -8.556 1.00 0.00 C ATOM 571 C GLN A 58 6.681 20.736 -9.469 1.00 0.00 C ATOM 572 O GLN A 58 6.542 21.597 -10.322 1.00 0.00 O ATOM 573 CB GLN A 58 5.838 20.931 -7.150 1.00 0.00 C ATOM 574 CG GLN A 58 4.757 20.700 -6.090 1.00 0.00 C ATOM 575 CD GLN A 58 4.761 21.770 -4.995 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.732 22.330 -4.638 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.893 22.102 -4.406 1.00 0.00 N ATOM 0 H GLN A 58 5.238 18.503 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 58 4.588 20.874 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.762 20.464 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.029 22.002 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.780 20.684 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.904 19.721 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.764 21.651 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.897 22.810 -3.672 1.00 0.00 H new ATOM 586 N TYR A 59 7.813 20.044 -9.338 1.00 0.00 N ATOM 587 CA TYR A 59 9.032 20.331 -10.105 1.00 0.00 C ATOM 588 C TYR A 59 8.818 20.240 -11.622 1.00 0.00 C ATOM 589 O TYR A 59 9.193 21.159 -12.354 1.00 0.00 O ATOM 590 CB TYR A 59 10.123 19.370 -9.641 1.00 0.00 C ATOM 591 CG TYR A 59 11.522 19.716 -10.116 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.294 20.654 -9.402 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.053 19.099 -11.265 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.600 20.968 -9.827 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.359 19.412 -11.690 1.00 0.00 C ATOM 596 CZ TYR A 59 14.140 20.341 -10.971 1.00 0.00 C ATOM 597 OH TYR A 59 15.407 20.628 -11.384 1.00 0.00 O ATOM 0 H TYR A 59 7.914 19.261 -8.692 1.00 0.00 H new ATOM 0 HA TYR A 59 9.329 21.363 -9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.122 19.340 -8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.875 18.367 -9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.883 21.134 -8.526 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.460 18.387 -11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.188 21.688 -9.278 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.765 18.938 -12.571 1.00 0.00 H new ATOM 0 HH TYR A 59 15.616 20.105 -12.186 1.00 0.00 H new ATOM 607 N ILE A 60 8.131 19.189 -12.088 1.00 0.00 N ATOM 608 CA ILE A 60 7.761 19.016 -13.502 1.00 0.00 C ATOM 609 C ILE A 60 6.862 20.177 -13.963 1.00 0.00 C ATOM 610 O ILE A 60 7.151 20.807 -14.985 1.00 0.00 O ATOM 611 CB ILE A 60 7.143 17.609 -13.708 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.220 16.524 -13.456 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.558 17.388 -15.117 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.651 15.107 -13.337 1.00 0.00 C ATOM 0 H ILE A 60 7.813 18.427 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 60 8.644 19.059 -14.140 1.00 0.00 H new ATOM 0 HB ILE A 60 6.321 17.536 -12.996 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.944 16.548 -14.270 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.761 16.767 -12.541 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.144 16.382 -15.185 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.770 18.118 -15.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.346 17.508 -15.861 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.464 14.402 -13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.949 15.066 -12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.135 14.843 -14.260 1.00 0.00 H new ATOM 626 N MET A 61 5.833 20.539 -13.189 1.00 0.00 N ATOM 627 CA MET A 61 4.955 21.675 -13.519 1.00 0.00 C ATOM 628 C MET A 61 5.650 23.049 -13.410 1.00 0.00 C ATOM 629 O MET A 61 5.308 23.961 -14.162 1.00 0.00 O ATOM 630 CB MET A 61 3.694 21.638 -12.640 1.00 0.00 C ATOM 631 CG MET A 61 2.802 20.401 -12.843 1.00 0.00 C ATOM 632 SD MET A 61 2.076 20.172 -14.494 1.00 0.00 S ATOM 633 CE MET A 61 3.305 19.076 -15.257 1.00 0.00 C ATOM 0 H MET A 61 5.584 20.060 -12.323 1.00 0.00 H new ATOM 0 HA MET A 61 4.681 21.560 -14.568 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.996 21.683 -11.594 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.103 22.532 -12.840 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.391 19.515 -12.606 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.989 20.446 -12.118 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.950 18.757 -16.237 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.249 19.610 -15.369 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.456 18.202 -14.624 1.00 0.00 H new ATOM 643 N VAL A 62 6.639 23.212 -12.521 1.00 0.00 N ATOM 644 CA VAL A 62 7.345 24.472 -12.246 1.00 0.00 C ATOM 645 C VAL A 62 8.387 24.790 -13.318 1.00 0.00 C ATOM 646 O VAL A 62 8.444 25.922 -13.801 1.00 0.00 O ATOM 647 CB VAL A 62 7.937 24.390 -10.822 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.117 25.311 -10.541 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.845 24.698 -9.794 1.00 0.00 C ATOM 0 H VAL A 62 6.983 22.439 -11.951 1.00 0.00 H new ATOM 0 HA VAL A 62 6.648 25.309 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 62 8.318 23.372 -10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.452 25.170 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.933 25.075 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.812 26.348 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.264 24.640 -8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.455 25.701 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.037 23.973 -9.893 1.00 0.00 H new ATOM 659 N LYS A 63 9.170 23.787 -13.737 1.00 0.00 N ATOM 660 CA LYS A 63 10.082 23.891 -14.895 1.00 0.00 C ATOM 661 C LYS A 63 9.398 23.597 -16.244 1.00 0.00 C ATOM 662 O LYS A 63 9.995 23.869 -17.284 1.00 0.00 O ATOM 663 CB LYS A 63 11.362 23.064 -14.657 1.00 0.00 C ATOM 664 CG LYS A 63 12.567 23.882 -14.166 1.00 0.00 C ATOM 665 CD LYS A 63 12.355 24.593 -12.822 1.00 0.00 C ATOM 666 CE LYS A 63 13.652 25.308 -12.414 1.00 0.00 C ATOM 667 NZ LYS A 63 13.491 26.088 -11.155 1.00 0.00 N ATOM 0 H LYS A 63 9.192 22.874 -13.283 1.00 0.00 H new ATOM 0 HA LYS A 63 10.385 24.935 -14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.145 22.285 -13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.633 22.563 -15.586 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.428 23.219 -14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.814 24.628 -14.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.540 25.312 -12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.068 23.871 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.446 24.572 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.965 25.976 -13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.390 26.554 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.752 26.808 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.218 25.448 -10.382 1.00 0.00 H new ATOM 681 N GLN A 64 8.139 23.133 -16.244 1.00 0.00 N ATOM 682 CA GLN A 64 7.290 22.957 -17.434 1.00 0.00 C ATOM 683 C GLN A 64 7.792 21.835 -18.353 1.00 0.00 C ATOM 684 O GLN A 64 7.834 21.956 -19.578 1.00 0.00 O ATOM 685 CB GLN A 64 6.984 24.291 -18.147 1.00 0.00 C ATOM 686 CG GLN A 64 6.413 25.348 -17.191 1.00 0.00 C ATOM 687 CD GLN A 64 6.050 26.640 -17.920 1.00 0.00 C ATOM 688 OE1 GLN A 64 4.899 26.902 -18.250 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.008 27.496 -18.216 1.00 0.00 N ATOM 0 H GLN A 64 7.666 22.859 -15.383 1.00 0.00 H new ATOM 0 HA GLN A 64 6.318 22.608 -17.086 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.897 24.673 -18.604 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.274 24.114 -18.954 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.527 24.949 -16.697 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.143 25.564 -16.411 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.972 27.295 -17.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.785 28.359 -18.712 1.00 0.00 H new ATOM 698 N LEU A 65 8.160 20.711 -17.730 1.00 0.00 N ATOM 699 CA LEU A 65 8.667 19.506 -18.386 1.00 0.00 C ATOM 700 C LEU A 65 7.520 18.616 -18.884 1.00 0.00 C ATOM 701 O LEU A 65 7.479 17.423 -18.599 1.00 0.00 O ATOM 702 CB LEU A 65 9.617 18.746 -17.441 1.00 0.00 C ATOM 703 CG LEU A 65 10.946 19.410 -17.019 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.442 20.530 -17.935 1.00 0.00 C ATOM 705 CD2 LEU A 65 10.875 19.887 -15.575 1.00 0.00 C ATOM 0 H LEU A 65 8.110 20.614 -16.716 1.00 0.00 H new ATOM 0 HA LEU A 65 9.237 19.804 -19.266 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.061 18.516 -16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.861 17.795 -17.915 1.00 0.00 H new ATOM 0 HG LEU A 65 11.692 18.622 -17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.381 20.927 -17.549 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.601 20.136 -18.939 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.699 21.326 -17.971 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.821 20.352 -15.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.070 20.614 -15.471 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.683 19.037 -14.920 1.00 0.00 H new ATOM 717 N TYR A 66 6.551 19.186 -19.591 1.00 0.00 N ATOM 718 CA TYR A 66 5.411 18.451 -20.157 1.00 0.00 C ATOM 719 C TYR A 66 4.900 19.070 -21.478 1.00 0.00 C ATOM 720 O TYR A 66 5.269 20.193 -21.830 1.00 0.00 O ATOM 721 CB TYR A 66 4.285 18.398 -19.107 1.00 0.00 C ATOM 722 CG TYR A 66 3.640 19.740 -18.786 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.266 20.645 -17.905 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.397 20.074 -19.358 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.648 21.874 -17.596 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.782 21.306 -19.063 1.00 0.00 C ATOM 727 CZ TYR A 66 2.407 22.210 -18.177 1.00 0.00 C ATOM 728 OH TYR A 66 1.822 23.403 -17.874 1.00 0.00 O ATOM 0 H TYR A 66 6.529 20.185 -19.794 1.00 0.00 H new ATOM 0 HA TYR A 66 5.744 17.443 -20.404 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.512 17.715 -19.460 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.687 17.976 -18.186 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.221 20.396 -17.466 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.912 19.380 -20.028 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.126 22.560 -16.913 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.834 21.559 -19.514 1.00 0.00 H new ATOM 0 HH TYR A 66 0.973 23.483 -18.357 1.00 0.00 H new ATOM 738 N ASP A 67 4.042 18.349 -22.211 1.00 0.00 N ATOM 739 CA ASP A 67 3.379 18.849 -23.430 1.00 0.00 C ATOM 740 C ASP A 67 2.004 19.471 -23.125 1.00 0.00 C ATOM 741 O ASP A 67 1.216 18.910 -22.365 1.00 0.00 O ATOM 742 CB ASP A 67 3.235 17.716 -24.450 1.00 0.00 C ATOM 743 CG ASP A 67 2.690 18.231 -25.789 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.451 18.357 -25.912 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.498 18.528 -26.701 1.00 0.00 O ATOM 0 H ASP A 67 3.783 17.391 -21.975 1.00 0.00 H new ATOM 0 HA ASP A 67 4.006 19.636 -23.848 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.204 17.242 -24.608 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.567 16.951 -24.054 1.00 0.00 H new ATOM 750 N GLN A 68 1.678 20.610 -23.741 1.00 0.00 N ATOM 751 CA GLN A 68 0.450 21.355 -23.468 1.00 0.00 C ATOM 752 C GLN A 68 -0.856 20.672 -23.924 1.00 0.00 C ATOM 753 O GLN A 68 -1.924 21.010 -23.407 1.00 0.00 O ATOM 754 CB GLN A 68 0.589 22.785 -24.024 1.00 0.00 C ATOM 755 CG GLN A 68 0.540 22.935 -25.561 1.00 0.00 C ATOM 756 CD GLN A 68 1.800 22.496 -26.316 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.859 22.231 -25.759 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.741 22.415 -27.629 1.00 0.00 N ATOM 0 H GLN A 68 2.267 21.044 -24.451 1.00 0.00 H new ATOM 0 HA GLN A 68 0.342 21.386 -22.384 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.206 23.396 -23.596 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.534 23.198 -23.671 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.305 22.358 -25.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.343 23.980 -25.799 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.870 22.631 -28.115 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.566 22.136 -28.160 1.00 0.00 H new ATOM 767 N GLN A 69 -0.790 19.705 -24.845 1.00 0.00 N ATOM 768 CA GLN A 69 -1.918 18.873 -25.286 1.00 0.00 C ATOM 769 C GLN A 69 -1.831 17.445 -24.714 1.00 0.00 C ATOM 770 O GLN A 69 -2.863 16.843 -24.414 1.00 0.00 O ATOM 771 CB GLN A 69 -1.964 18.884 -26.826 1.00 0.00 C ATOM 772 CG GLN A 69 -3.100 18.059 -27.458 1.00 0.00 C ATOM 773 CD GLN A 69 -4.500 18.529 -27.059 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.130 19.340 -27.727 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.045 18.045 -25.961 1.00 0.00 N ATOM 0 H GLN A 69 0.081 19.471 -25.322 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.850 19.288 -24.901 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.057 19.917 -27.163 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.012 18.510 -27.204 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.008 18.103 -28.543 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.982 17.014 -27.170 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.534 17.369 -25.393 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.978 18.346 -25.679 1.00 0.00 H new ATOM 784 N GLU A 70 -0.622 16.916 -24.510 1.00 0.00 N ATOM 785 CA GLU A 70 -0.365 15.617 -23.868 1.00 0.00 C ATOM 786 C GLU A 70 0.147 15.833 -22.435 1.00 0.00 C ATOM 787 O GLU A 70 1.277 15.497 -22.095 1.00 0.00 O ATOM 788 CB GLU A 70 0.541 14.731 -24.746 1.00 0.00 C ATOM 789 CG GLU A 70 -0.147 14.342 -26.061 1.00 0.00 C ATOM 790 CD GLU A 70 0.705 13.334 -26.855 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.550 12.105 -26.646 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.523 13.757 -27.710 1.00 0.00 O ATOM 0 H GLU A 70 0.234 17.392 -24.795 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.296 15.057 -23.776 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.468 15.262 -24.964 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.811 13.829 -24.196 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.125 13.909 -25.849 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.317 15.234 -26.664 1.00 0.00 H new ATOM 799 N GLN A 71 -0.697 16.423 -21.580 1.00 0.00 N ATOM 800 CA GLN A 71 -0.302 16.882 -20.236 1.00 0.00 C ATOM 801 C GLN A 71 0.034 15.728 -19.267 1.00 0.00 C ATOM 802 O GLN A 71 0.757 15.926 -18.291 1.00 0.00 O ATOM 803 CB GLN A 71 -1.398 17.801 -19.668 1.00 0.00 C ATOM 804 CG GLN A 71 -1.599 19.076 -20.511 1.00 0.00 C ATOM 805 CD GLN A 71 -2.701 20.000 -19.987 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.213 19.876 -18.880 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.113 20.975 -20.772 1.00 0.00 N ATOM 0 H GLN A 71 -1.678 16.598 -21.799 1.00 0.00 H new ATOM 0 HA GLN A 71 0.626 17.444 -20.339 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.338 17.251 -19.618 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.138 18.082 -18.647 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.660 19.629 -20.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.836 18.789 -21.535 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.699 21.095 -21.697 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.846 21.610 -20.455 1.00 0.00 H new ATOM 816 N HIS A 72 -0.437 14.512 -19.570 1.00 0.00 N ATOM 817 CA HIS A 72 -0.063 13.251 -18.906 1.00 0.00 C ATOM 818 C HIS A 72 1.324 12.721 -19.327 1.00 0.00 C ATOM 819 O HIS A 72 1.848 11.805 -18.689 1.00 0.00 O ATOM 820 CB HIS A 72 -1.153 12.205 -19.197 1.00 0.00 C ATOM 821 CG HIS A 72 -1.455 12.047 -20.669 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.611 11.473 -21.623 1.00 0.00 N ATOM 823 CD2 HIS A 72 -2.557 12.542 -21.302 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.212 11.654 -22.812 1.00 0.00 C ATOM 825 NE2 HIS A 72 -2.390 12.282 -22.646 1.00 0.00 N ATOM 0 H HIS A 72 -1.118 14.371 -20.316 1.00 0.00 H new ATOM 0 HA HIS A 72 0.012 13.447 -17.836 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.840 11.242 -18.793 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.067 12.488 -18.675 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.397 13.040 -20.841 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.807 11.340 -23.763 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.047 12.524 -23.387 1.00 0.00 H new ATOM 833 N MET A 73 1.927 13.290 -20.374 1.00 0.00 N ATOM 834 CA MET A 73 3.240 12.933 -20.910 1.00 0.00 C ATOM 835 C MET A 73 4.302 13.944 -20.451 1.00 0.00 C ATOM 836 O MET A 73 4.129 15.161 -20.571 1.00 0.00 O ATOM 837 CB MET A 73 3.154 12.842 -22.443 1.00 0.00 C ATOM 838 CG MET A 73 4.395 12.229 -23.056 1.00 0.00 C ATOM 839 SD MET A 73 4.578 10.471 -22.705 1.00 0.00 S ATOM 840 CE MET A 73 6.292 10.419 -23.219 1.00 0.00 C ATOM 0 H MET A 73 1.490 14.050 -20.896 1.00 0.00 H new ATOM 0 HA MET A 73 3.543 11.959 -20.527 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.284 12.248 -22.721 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.003 13.840 -22.855 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.367 12.375 -24.136 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.273 12.758 -22.686 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.483 9.489 -23.755 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.501 11.265 -23.874 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.937 10.471 -22.342 1.00 0.00 H new ATOM 850 N VAL A 74 5.421 13.440 -19.930 1.00 0.00 N ATOM 851 CA VAL A 74 6.526 14.230 -19.382 1.00 0.00 C ATOM 852 C VAL A 74 7.615 14.366 -20.442 1.00 0.00 C ATOM 853 O VAL A 74 7.951 13.407 -21.134 1.00 0.00 O ATOM 854 CB VAL A 74 7.035 13.608 -18.064 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.272 14.324 -17.513 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.937 13.686 -16.996 1.00 0.00 C ATOM 0 H VAL A 74 5.590 12.436 -19.876 1.00 0.00 H new ATOM 0 HA VAL A 74 6.186 15.234 -19.129 1.00 0.00 H new ATOM 0 HB VAL A 74 7.302 12.576 -18.291 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.587 13.845 -16.586 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.080 14.268 -18.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.031 15.369 -17.318 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.301 13.246 -16.067 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.671 14.729 -16.823 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.058 13.139 -17.337 1.00 0.00 H new ATOM 866 N TYR A 75 8.168 15.572 -20.543 1.00 0.00 N ATOM 867 CA TYR A 75 9.175 16.009 -21.507 1.00 0.00 C ATOM 868 C TYR A 75 10.289 16.800 -20.810 1.00 0.00 C ATOM 869 O TYR A 75 10.470 18.005 -20.976 1.00 0.00 O ATOM 870 CB TYR A 75 8.501 16.754 -22.665 1.00 0.00 C ATOM 871 CG TYR A 75 7.858 15.784 -23.631 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.682 14.887 -24.336 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.460 15.726 -23.779 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.113 13.934 -25.197 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.888 14.789 -24.661 1.00 0.00 C ATOM 876 CZ TYR A 75 6.711 13.889 -25.372 1.00 0.00 C ATOM 877 OH TYR A 75 6.148 12.979 -26.215 1.00 0.00 O ATOM 0 H TYR A 75 7.905 16.325 -19.907 1.00 0.00 H new ATOM 0 HA TYR A 75 9.670 15.144 -21.949 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.747 17.437 -22.273 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.238 17.361 -23.190 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.754 14.931 -24.215 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.828 16.398 -23.218 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.746 13.236 -25.725 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.817 14.759 -24.794 1.00 0.00 H new ATOM 0 HH TYR A 75 5.174 13.089 -26.212 1.00 0.00 H new ATOM 887 N CYS A 76 11.059 16.060 -20.020 1.00 0.00 N ATOM 888 CA CYS A 76 12.330 16.457 -19.391 1.00 0.00 C ATOM 889 C CYS A 76 13.513 16.446 -20.400 1.00 0.00 C ATOM 890 O CYS A 76 14.636 16.103 -20.029 1.00 0.00 O ATOM 891 CB CYS A 76 12.599 15.519 -18.193 1.00 0.00 C ATOM 892 SG CYS A 76 11.436 15.758 -16.819 1.00 0.00 S ATOM 0 H CYS A 76 10.802 15.102 -19.781 1.00 0.00 H new ATOM 0 HA CYS A 76 12.246 17.486 -19.041 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.544 14.484 -18.531 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.615 15.683 -17.833 1.00 0.00 H new ATOM 0 HG CYS A 76 11.727 14.934 -15.856 1.00 0.00 H new ATOM 898 N GLY A 77 13.271 16.814 -21.668 1.00 0.00 N ATOM 899 CA GLY A 77 14.166 16.666 -22.836 1.00 0.00 C ATOM 900 C GLY A 77 15.636 17.072 -22.660 1.00 0.00 C ATOM 901 O GLY A 77 16.525 16.411 -23.202 1.00 0.00 O ATOM 0 H GLY A 77 12.387 17.253 -21.926 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.141 15.622 -23.149 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.751 17.254 -23.654 1.00 0.00 H new ATOM 905 N GLY A 78 15.896 18.123 -21.879 1.00 0.00 N ATOM 906 CA GLY A 78 17.239 18.567 -21.476 1.00 0.00 C ATOM 907 C GLY A 78 17.332 18.912 -19.985 1.00 0.00 C ATOM 908 O GLY A 78 18.155 19.743 -19.596 1.00 0.00 O ATOM 0 H GLY A 78 15.155 18.710 -21.495 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.960 17.783 -21.708 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.519 19.441 -22.064 1.00 0.00 H new ATOM 912 N ASP A 79 16.450 18.342 -19.156 1.00 0.00 N ATOM 913 CA ASP A 79 16.283 18.737 -17.753 1.00 0.00 C ATOM 914 C ASP A 79 17.128 17.911 -16.778 1.00 0.00 C ATOM 915 O ASP A 79 17.312 16.706 -16.958 1.00 0.00 O ATOM 916 CB ASP A 79 14.808 18.672 -17.356 1.00 0.00 C ATOM 917 CG ASP A 79 14.608 19.365 -16.002 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.659 20.617 -15.956 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.491 18.641 -14.990 1.00 0.00 O ATOM 0 H ASP A 79 15.827 17.587 -19.443 1.00 0.00 H new ATOM 0 HA ASP A 79 16.644 19.763 -17.680 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.195 19.155 -18.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.483 17.633 -17.296 1.00 0.00 H new ATOM 924 N LEU A 80 17.566 18.554 -15.692 1.00 0.00 N ATOM 925 CA LEU A 80 18.326 17.938 -14.608 1.00 0.00 C ATOM 926 C LEU A 80 17.632 16.691 -14.025 1.00 0.00 C ATOM 927 O LEU A 80 18.292 15.668 -13.844 1.00 0.00 O ATOM 928 CB LEU A 80 18.558 19.027 -13.542 1.00 0.00 C ATOM 929 CG LEU A 80 19.444 18.592 -12.365 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.879 18.278 -12.790 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.494 19.699 -11.312 1.00 0.00 C ATOM 0 H LEU A 80 17.395 19.548 -15.541 1.00 0.00 H new ATOM 0 HA LEU A 80 19.278 17.567 -14.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.013 19.894 -14.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.592 19.348 -13.153 1.00 0.00 H new ATOM 0 HG LEU A 80 18.997 17.683 -11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.459 17.976 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.873 17.468 -13.520 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.329 19.165 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.124 19.382 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.907 20.605 -11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.487 19.900 -10.947 1.00 0.00 H new ATOM 943 N LEU A 81 16.310 16.722 -13.798 1.00 0.00 N ATOM 944 CA LEU A 81 15.563 15.541 -13.348 1.00 0.00 C ATOM 945 C LEU A 81 15.560 14.446 -14.423 1.00 0.00 C ATOM 946 O LEU A 81 15.794 13.291 -14.095 1.00 0.00 O ATOM 947 CB LEU A 81 14.138 15.948 -12.916 1.00 0.00 C ATOM 948 CG LEU A 81 13.188 14.786 -12.557 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.704 13.896 -11.423 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.828 15.344 -12.135 1.00 0.00 C ATOM 0 H LEU A 81 15.736 17.556 -13.920 1.00 0.00 H new ATOM 0 HA LEU A 81 16.062 15.116 -12.477 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.215 16.609 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.686 16.527 -13.721 1.00 0.00 H new ATOM 0 HG LEU A 81 13.115 14.172 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.983 13.102 -11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.659 13.456 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.838 14.495 -10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.160 14.521 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.953 15.990 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.400 15.920 -12.956 1.00 0.00 H new ATOM 962 N GLY A 82 15.365 14.781 -15.702 1.00 0.00 N ATOM 963 CA GLY A 82 15.395 13.788 -16.795 1.00 0.00 C ATOM 964 C GLY A 82 16.749 13.071 -16.920 1.00 0.00 C ATOM 965 O GLY A 82 16.812 11.850 -17.079 1.00 0.00 O ATOM 0 H GLY A 82 15.183 15.735 -16.013 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.613 13.048 -16.627 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.166 14.286 -17.737 1.00 0.00 H new ATOM 969 N GLU A 83 17.844 13.822 -16.808 1.00 0.00 N ATOM 970 CA GLU A 83 19.222 13.305 -16.819 1.00 0.00 C ATOM 971 C GLU A 83 19.486 12.374 -15.630 1.00 0.00 C ATOM 972 O GLU A 83 19.963 11.251 -15.804 1.00 0.00 O ATOM 973 CB GLU A 83 20.210 14.475 -16.725 1.00 0.00 C ATOM 974 CG GLU A 83 20.182 15.421 -17.923 1.00 0.00 C ATOM 975 CD GLU A 83 21.157 14.973 -19.029 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.829 14.030 -19.790 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.261 15.559 -19.147 1.00 0.00 O ATOM 0 H GLU A 83 17.801 14.836 -16.704 1.00 0.00 H new ATOM 0 HA GLU A 83 19.354 12.748 -17.747 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.994 15.046 -15.822 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.218 14.076 -16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.171 15.466 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.441 16.428 -17.597 1.00 0.00 H new ATOM 984 N LEU A 84 19.150 12.841 -14.423 1.00 0.00 N ATOM 985 CA LEU A 84 19.365 12.096 -13.174 1.00 0.00 C ATOM 986 C LEU A 84 18.453 10.864 -13.030 1.00 0.00 C ATOM 987 O LEU A 84 18.890 9.842 -12.496 1.00 0.00 O ATOM 988 CB LEU A 84 19.194 13.058 -11.986 1.00 0.00 C ATOM 989 CG LEU A 84 20.466 13.833 -11.583 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.289 14.435 -12.724 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.057 14.966 -10.645 1.00 0.00 C ATOM 0 H LEU A 84 18.718 13.754 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 84 20.380 11.699 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.412 13.777 -12.230 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.846 12.488 -11.124 1.00 0.00 H new ATOM 0 HG LEU A 84 21.117 13.090 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.156 14.953 -12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.624 13.640 -13.390 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.675 15.141 -13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.942 15.529 -10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.361 15.630 -11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.576 14.550 -9.760 1.00 0.00 H new ATOM 1003 N LEU A 85 17.214 10.927 -13.534 1.00 0.00 N ATOM 1004 CA LEU A 85 16.305 9.776 -13.605 1.00 0.00 C ATOM 1005 C LEU A 85 16.736 8.793 -14.707 1.00 0.00 C ATOM 1006 O LEU A 85 16.546 7.585 -14.568 1.00 0.00 O ATOM 1007 CB LEU A 85 14.844 10.274 -13.698 1.00 0.00 C ATOM 1008 CG LEU A 85 14.133 10.309 -15.061 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.491 8.961 -15.412 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.989 11.321 -15.020 1.00 0.00 C ATOM 0 H LEU A 85 16.811 11.786 -13.907 1.00 0.00 H new ATOM 0 HA LEU A 85 16.362 9.188 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.245 9.650 -13.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.819 11.285 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 85 14.893 10.567 -15.799 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.001 9.033 -16.383 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.261 8.190 -15.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.755 8.700 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.488 11.343 -15.988 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.276 11.033 -14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.387 12.311 -14.795 1.00 0.00 H new ATOM 1022 N GLY A 86 17.356 9.302 -15.779 1.00 0.00 N ATOM 1023 CA GLY A 86 17.931 8.494 -16.861 1.00 0.00 C ATOM 1024 C GLY A 86 16.980 8.261 -18.039 1.00 0.00 C ATOM 1025 O GLY A 86 17.341 7.561 -18.988 1.00 0.00 O ATOM 0 H GLY A 86 17.474 10.305 -15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.833 8.985 -17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.235 7.529 -16.457 1.00 0.00 H new ATOM 1029 N ARG A 87 15.785 8.871 -18.007 1.00 0.00 N ATOM 1030 CA ARG A 87 14.845 8.932 -19.138 1.00 0.00 C ATOM 1031 C ARG A 87 14.309 10.357 -19.258 1.00 0.00 C ATOM 1032 O ARG A 87 13.767 10.897 -18.299 1.00 0.00 O ATOM 1033 CB ARG A 87 13.714 7.893 -18.951 1.00 0.00 C ATOM 1034 CG ARG A 87 13.291 7.210 -20.261 1.00 0.00 C ATOM 1035 CD ARG A 87 14.267 6.095 -20.660 1.00 0.00 C ATOM 1036 NE ARG A 87 13.885 5.492 -21.953 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.614 4.673 -22.693 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.803 4.280 -22.332 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.154 4.227 -23.828 1.00 0.00 N ATOM 0 H ARG A 87 15.437 9.347 -17.175 1.00 0.00 H new ATOM 0 HA ARG A 87 15.354 8.679 -20.068 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.043 7.132 -18.243 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.847 8.386 -18.510 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.290 6.794 -20.148 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.240 7.952 -21.058 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.277 6.499 -20.728 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.282 5.327 -19.887 1.00 0.00 H new ATOM 0 HE ARG A 87 12.962 5.732 -22.313 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.202 4.605 -21.451 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.335 3.648 -22.930 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.228 4.509 -24.149 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.720 3.596 -24.395 1.00 0.00 H new ATOM 1053 N GLN A 88 14.461 10.979 -20.425 1.00 0.00 N ATOM 1054 CA GLN A 88 14.051 12.375 -20.640 1.00 0.00 C ATOM 1055 C GLN A 88 12.561 12.514 -21.015 1.00 0.00 C ATOM 1056 O GLN A 88 12.047 13.627 -21.099 1.00 0.00 O ATOM 1057 CB GLN A 88 15.002 13.052 -21.639 1.00 0.00 C ATOM 1058 CG GLN A 88 16.424 13.291 -21.088 1.00 0.00 C ATOM 1059 CD GLN A 88 17.308 12.041 -21.102 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.740 11.572 -22.147 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.596 11.422 -19.972 1.00 0.00 N ATOM 0 H GLN A 88 14.869 10.537 -21.248 1.00 0.00 H new ATOM 0 HA GLN A 88 14.137 12.906 -19.692 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.070 12.436 -22.536 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.575 14.008 -21.941 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.905 14.072 -21.676 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.350 13.662 -20.066 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.250 11.790 -19.086 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.165 10.576 -19.985 1.00 0.00 H new ATOM 1070 N SER A 89 11.842 11.401 -21.178 1.00 0.00 N ATOM 1071 CA SER A 89 10.384 11.361 -21.350 1.00 0.00 C ATOM 1072 C SER A 89 9.787 10.064 -20.788 1.00 0.00 C ATOM 1073 O SER A 89 10.385 8.988 -20.878 1.00 0.00 O ATOM 1074 CB SER A 89 10.011 11.562 -22.828 1.00 0.00 C ATOM 1075 OG SER A 89 10.578 10.555 -23.657 1.00 0.00 O ATOM 0 H SER A 89 12.269 10.475 -21.195 1.00 0.00 H new ATOM 0 HA SER A 89 9.952 12.183 -20.779 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.926 11.552 -22.934 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.354 12.542 -23.160 1.00 0.00 H new ATOM 0 HG SER A 89 10.319 10.714 -24.589 1.00 0.00 H new ATOM 1081 N PHE A 90 8.617 10.185 -20.159 1.00 0.00 N ATOM 1082 CA PHE A 90 7.825 9.096 -19.567 1.00 0.00 C ATOM 1083 C PHE A 90 6.361 9.553 -19.411 1.00 0.00 C ATOM 1084 O PHE A 90 6.051 10.714 -19.672 1.00 0.00 O ATOM 1085 CB PHE A 90 8.448 8.652 -18.226 1.00 0.00 C ATOM 1086 CG PHE A 90 8.467 9.692 -17.118 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.565 10.568 -16.972 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.392 9.764 -16.211 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.571 11.517 -15.934 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.403 10.712 -15.174 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.492 11.590 -15.037 1.00 0.00 C ATOM 0 H PHE A 90 8.169 11.093 -20.040 1.00 0.00 H new ATOM 0 HA PHE A 90 7.834 8.227 -20.225 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.903 7.779 -17.867 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.473 8.332 -18.414 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.399 10.509 -17.656 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.556 9.088 -16.313 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.407 12.192 -15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.575 10.766 -14.483 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.499 12.321 -14.242 1.00 0.00 H new ATOM 1101 N SER A 91 5.450 8.668 -19.001 1.00 0.00 N ATOM 1102 CA SER A 91 4.010 8.966 -18.915 1.00 0.00 C ATOM 1103 C SER A 91 3.414 8.622 -17.556 1.00 0.00 C ATOM 1104 O SER A 91 3.839 7.676 -16.895 1.00 0.00 O ATOM 1105 CB SER A 91 3.270 8.207 -20.022 1.00 0.00 C ATOM 1106 OG SER A 91 1.868 8.411 -19.939 1.00 0.00 O ATOM 0 H SER A 91 5.687 7.718 -18.717 1.00 0.00 H new ATOM 0 HA SER A 91 3.889 10.041 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.631 8.538 -20.996 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.490 7.142 -19.945 1.00 0.00 H new ATOM 0 HG SER A 91 1.422 7.917 -20.658 1.00 0.00 H new ATOM 1112 N VAL A 92 2.358 9.340 -17.172 1.00 0.00 N ATOM 1113 CA VAL A 92 1.505 9.004 -16.021 1.00 0.00 C ATOM 1114 C VAL A 92 0.871 7.609 -16.208 1.00 0.00 C ATOM 1115 O VAL A 92 0.631 6.901 -15.228 1.00 0.00 O ATOM 1116 CB VAL A 92 0.436 10.106 -15.867 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.669 9.744 -14.875 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.083 11.412 -15.385 1.00 0.00 C ATOM 0 H VAL A 92 2.063 10.187 -17.658 1.00 0.00 H new ATOM 0 HA VAL A 92 2.100 8.960 -15.109 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.012 10.221 -16.854 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.387 10.562 -14.815 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.177 8.840 -15.210 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.233 9.572 -13.891 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.317 12.181 -15.281 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.564 11.246 -14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.828 11.738 -16.111 1.00 0.00 H new ATOM 1128 N LYS A 93 0.666 7.178 -17.465 1.00 0.00 N ATOM 1129 CA LYS A 93 0.183 5.834 -17.842 1.00 0.00 C ATOM 1130 C LYS A 93 1.305 4.801 -18.058 1.00 0.00 C ATOM 1131 O LYS A 93 1.017 3.616 -18.228 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.725 5.938 -19.083 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.929 6.874 -18.865 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.987 6.759 -19.977 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.488 7.095 -21.393 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.197 8.546 -21.576 1.00 0.00 N ATOM 0 H LYS A 93 0.837 7.774 -18.275 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.390 5.457 -16.994 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.138 6.299 -19.928 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.086 4.944 -19.347 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.392 6.645 -17.905 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.577 7.904 -18.811 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.380 5.742 -19.979 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.818 7.421 -19.735 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.586 6.520 -21.601 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.238 6.785 -22.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.865 8.714 -22.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.062 9.098 -21.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.461 8.840 -20.903 1.00 0.00 H new ATOM 1150 N ASP A 94 2.572 5.227 -18.040 1.00 0.00 N ATOM 1151 CA ASP A 94 3.760 4.363 -18.146 1.00 0.00 C ATOM 1152 C ASP A 94 4.952 4.910 -17.317 1.00 0.00 C ATOM 1153 O ASP A 94 5.932 5.415 -17.878 1.00 0.00 O ATOM 1154 CB ASP A 94 4.121 4.151 -19.629 1.00 0.00 C ATOM 1155 CG ASP A 94 5.289 3.163 -19.824 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.536 2.311 -18.936 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.948 3.217 -20.891 1.00 0.00 O ATOM 0 H ASP A 94 2.810 6.214 -17.948 1.00 0.00 H new ATOM 0 HA ASP A 94 3.522 3.391 -17.714 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.245 3.781 -20.162 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.384 5.110 -20.075 1.00 0.00 H new ATOM 1162 N PRO A 95 4.887 4.826 -15.971 1.00 0.00 N ATOM 1163 CA PRO A 95 5.936 5.280 -15.049 1.00 0.00 C ATOM 1164 C PRO A 95 7.084 4.262 -14.873 1.00 0.00 C ATOM 1165 O PRO A 95 7.810 4.316 -13.883 1.00 0.00 O ATOM 1166 CB PRO A 95 5.186 5.574 -13.742 1.00 0.00 C ATOM 1167 CG PRO A 95 4.106 4.495 -13.738 1.00 0.00 C ATOM 1168 CD PRO A 95 3.715 4.405 -15.210 1.00 0.00 C ATOM 0 HA PRO A 95 6.456 6.159 -15.431 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.839 5.499 -12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.759 6.577 -13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.484 3.545 -13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.259 4.772 -13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.425 3.388 -15.474 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.860 5.046 -15.425 1.00 0.00 H new ATOM 1176 N SER A 96 7.273 3.321 -15.805 1.00 0.00 N ATOM 1177 CA SER A 96 8.280 2.246 -15.712 1.00 0.00 C ATOM 1178 C SER A 96 9.720 2.742 -15.446 1.00 0.00 C ATOM 1179 O SER A 96 10.313 2.300 -14.454 1.00 0.00 O ATOM 1180 CB SER A 96 8.210 1.356 -16.960 1.00 0.00 C ATOM 1181 OG SER A 96 9.126 0.276 -16.858 1.00 0.00 O ATOM 0 H SER A 96 6.723 3.280 -16.663 1.00 0.00 H new ATOM 0 HA SER A 96 8.025 1.658 -14.830 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.198 0.971 -17.082 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.435 1.947 -17.848 1.00 0.00 H new ATOM 0 HG SER A 96 9.066 -0.281 -17.662 1.00 0.00 H new ATOM 1187 N PRO A 97 10.287 3.707 -16.212 1.00 0.00 N ATOM 1188 CA PRO A 97 11.609 4.271 -15.904 1.00 0.00 C ATOM 1189 C PRO A 97 11.637 5.040 -14.571 1.00 0.00 C ATOM 1190 O PRO A 97 12.687 5.130 -13.934 1.00 0.00 O ATOM 1191 CB PRO A 97 11.948 5.195 -17.078 1.00 0.00 C ATOM 1192 CG PRO A 97 10.581 5.602 -17.619 1.00 0.00 C ATOM 1193 CD PRO A 97 9.760 4.332 -17.422 1.00 0.00 C ATOM 0 HA PRO A 97 12.341 3.473 -15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.525 6.061 -16.753 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.542 4.682 -17.834 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.162 6.446 -17.071 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.630 5.896 -18.668 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.700 4.563 -17.314 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.855 3.667 -18.280 1.00 0.00 H new ATOM 1201 N LEU A 98 10.494 5.572 -14.120 1.00 0.00 N ATOM 1202 CA LEU A 98 10.389 6.300 -12.856 1.00 0.00 C ATOM 1203 C LEU A 98 10.463 5.345 -11.657 1.00 0.00 C ATOM 1204 O LEU A 98 11.270 5.569 -10.763 1.00 0.00 O ATOM 1205 CB LEU A 98 9.106 7.151 -12.849 1.00 0.00 C ATOM 1206 CG LEU A 98 9.141 8.250 -11.774 1.00 0.00 C ATOM 1207 CD1 LEU A 98 10.010 9.430 -12.216 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.731 8.764 -11.513 1.00 0.00 C ATOM 0 H LEU A 98 9.612 5.507 -14.628 1.00 0.00 H new ATOM 0 HA LEU A 98 11.239 6.976 -12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.971 7.609 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.245 6.505 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 98 9.563 7.814 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.015 10.191 -11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.029 9.085 -12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.606 9.856 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.763 9.542 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.317 9.175 -12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.103 7.943 -11.168 1.00 0.00 H new ATOM 1220 N TYR A 99 9.712 4.242 -11.643 1.00 0.00 N ATOM 1221 CA TYR A 99 9.866 3.232 -10.584 1.00 0.00 C ATOM 1222 C TYR A 99 11.268 2.615 -10.583 1.00 0.00 C ATOM 1223 O TYR A 99 11.849 2.421 -9.516 1.00 0.00 O ATOM 1224 CB TYR A 99 8.796 2.144 -10.707 1.00 0.00 C ATOM 1225 CG TYR A 99 7.462 2.570 -10.121 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.303 2.610 -8.720 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.400 2.959 -10.958 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.087 3.042 -8.154 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.181 3.390 -10.395 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.021 3.435 -8.994 1.00 0.00 C ATOM 1231 OH TYR A 99 3.838 3.859 -8.466 1.00 0.00 O ATOM 0 H TYR A 99 9.000 4.023 -12.340 1.00 0.00 H new ATOM 0 HA TYR A 99 9.733 3.742 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.662 1.888 -11.758 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.140 1.242 -10.201 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.117 2.308 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.518 2.928 -12.031 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.970 3.073 -7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.366 3.687 -11.039 1.00 0.00 H new ATOM 0 HH TYR A 99 3.220 4.090 -9.191 1.00 0.00 H new ATOM 1241 N ASP A 100 11.847 2.374 -11.760 1.00 0.00 N ATOM 1242 CA ASP A 100 13.200 1.833 -11.891 1.00 0.00 C ATOM 1243 C ASP A 100 14.269 2.761 -11.302 1.00 0.00 C ATOM 1244 O ASP A 100 15.123 2.309 -10.537 1.00 0.00 O ATOM 1245 CB ASP A 100 13.473 1.564 -13.375 1.00 0.00 C ATOM 1246 CG ASP A 100 14.800 0.828 -13.601 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.929 -0.342 -13.172 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.727 1.415 -14.209 1.00 0.00 O ATOM 0 H ASP A 100 11.388 2.550 -12.654 1.00 0.00 H new ATOM 0 HA ASP A 100 13.257 0.907 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.657 0.972 -13.790 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.488 2.510 -13.916 1.00 0.00 H new ATOM 1253 N MET A 101 14.194 4.066 -11.590 1.00 0.00 N ATOM 1254 CA MET A 101 15.103 5.043 -10.976 1.00 0.00 C ATOM 1255 C MET A 101 14.852 5.183 -9.470 1.00 0.00 C ATOM 1256 O MET A 101 15.810 5.164 -8.702 1.00 0.00 O ATOM 1257 CB MET A 101 15.087 6.389 -11.728 1.00 0.00 C ATOM 1258 CG MET A 101 14.037 7.398 -11.264 1.00 0.00 C ATOM 1259 SD MET A 101 14.545 8.495 -9.915 1.00 0.00 S ATOM 1260 CE MET A 101 13.122 9.608 -9.974 1.00 0.00 C ATOM 0 H MET A 101 13.518 4.468 -12.240 1.00 0.00 H new ATOM 0 HA MET A 101 16.119 4.660 -11.074 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.071 6.848 -11.634 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.929 6.190 -12.788 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.747 8.011 -12.117 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.149 6.851 -10.948 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.995 10.088 -9.003 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.287 10.370 -10.736 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.225 9.039 -10.218 1.00 0.00 H new ATOM 1270 N LEU A 102 13.594 5.248 -9.015 1.00 0.00 N ATOM 1271 CA LEU A 102 13.243 5.428 -7.602 1.00 0.00 C ATOM 1272 C LEU A 102 13.801 4.269 -6.772 1.00 0.00 C ATOM 1273 O LEU A 102 14.554 4.518 -5.835 1.00 0.00 O ATOM 1274 CB LEU A 102 11.712 5.573 -7.443 1.00 0.00 C ATOM 1275 CG LEU A 102 11.122 6.913 -7.934 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.598 6.816 -8.018 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.452 8.081 -7.007 1.00 0.00 C ATOM 0 H LEU A 102 12.781 5.176 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 102 13.695 6.347 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.228 4.761 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.459 5.447 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 102 11.569 7.100 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.192 7.766 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.322 6.026 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.193 6.587 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.011 8.996 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.047 7.883 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.534 8.199 -6.941 1.00 0.00 H new ATOM 1289 N ARG A 103 13.568 3.019 -7.192 1.00 0.00 N ATOM 1290 CA ARG A 103 14.093 1.797 -6.544 1.00 0.00 C ATOM 1291 C ARG A 103 15.629 1.711 -6.515 1.00 0.00 C ATOM 1292 O ARG A 103 16.174 1.002 -5.668 1.00 0.00 O ATOM 1293 CB ARG A 103 13.503 0.565 -7.256 1.00 0.00 C ATOM 1294 CG ARG A 103 11.999 0.392 -6.981 1.00 0.00 C ATOM 1295 CD ARG A 103 11.406 -0.693 -7.887 1.00 0.00 C ATOM 1296 NE ARG A 103 9.955 -0.855 -7.662 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.138 -1.650 -8.334 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.556 -2.411 -9.306 1.00 0.00 N ATOM 1299 NH2 ARG A 103 7.871 -1.697 -8.040 1.00 0.00 N ATOM 0 H ARG A 103 12.996 2.818 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 103 13.784 1.832 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.665 0.657 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.034 -0.329 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.843 0.125 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.482 1.337 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.587 -0.435 -8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.912 -1.640 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 103 9.542 -0.298 -6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.541 -2.406 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.898 -3.012 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.501 -1.118 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.249 -2.313 -8.563 1.00 0.00 H new ATOM 1313 N LYS A 104 16.325 2.446 -7.397 1.00 0.00 N ATOM 1314 CA LYS A 104 17.802 2.565 -7.424 1.00 0.00 C ATOM 1315 C LYS A 104 18.347 3.856 -6.791 1.00 0.00 C ATOM 1316 O LYS A 104 19.564 4.020 -6.693 1.00 0.00 O ATOM 1317 CB LYS A 104 18.310 2.340 -8.861 1.00 0.00 C ATOM 1318 CG LYS A 104 18.203 0.851 -9.237 1.00 0.00 C ATOM 1319 CD LYS A 104 18.730 0.538 -10.644 1.00 0.00 C ATOM 1320 CE LYS A 104 17.784 1.103 -11.708 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.168 0.689 -13.083 1.00 0.00 N ATOM 0 H LYS A 104 15.871 2.989 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 104 18.202 1.781 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.727 2.941 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.346 2.670 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.758 0.259 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.160 0.541 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.725 0.965 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.828 -0.540 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.767 0.769 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.780 2.191 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.378 0.872 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.002 1.231 -13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.393 -0.326 -13.090 1.00 0.00 H new ATOM 1335 N ASN A 105 17.474 4.760 -6.335 1.00 0.00 N ATOM 1336 CA ASN A 105 17.848 6.005 -5.647 1.00 0.00 C ATOM 1337 C ASN A 105 17.443 5.957 -4.166 1.00 0.00 C ATOM 1338 O ASN A 105 18.271 6.046 -3.261 1.00 0.00 O ATOM 1339 CB ASN A 105 17.167 7.185 -6.380 1.00 0.00 C ATOM 1340 CG ASN A 105 17.969 7.694 -7.562 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.669 8.690 -7.492 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.895 7.001 -8.666 1.00 0.00 N ATOM 0 H ASN A 105 16.465 4.646 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 105 18.930 6.135 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.182 6.871 -6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.012 8.002 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.427 7.290 -9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.305 6.170 -8.708 1.00 0.00 H new ATOM 1349 N LEU A 106 16.137 5.845 -3.953 1.00 0.00 N ATOM 1350 CA LEU A 106 15.456 5.874 -2.654 1.00 0.00 C ATOM 1351 C LEU A 106 15.283 4.459 -2.063 1.00 0.00 C ATOM 1352 O LEU A 106 15.403 3.456 -2.767 1.00 0.00 O ATOM 1353 CB LEU A 106 14.079 6.576 -2.788 1.00 0.00 C ATOM 1354 CG LEU A 106 13.935 7.724 -3.808 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.541 8.324 -3.693 1.00 0.00 C ATOM 1356 CD2 LEU A 106 14.910 8.881 -3.612 1.00 0.00 C ATOM 0 H LEU A 106 15.482 5.724 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 106 16.082 6.441 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.341 5.814 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.810 6.968 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 106 14.140 7.267 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.434 9.136 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.796 7.556 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.393 8.710 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.733 9.639 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.762 9.318 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.933 8.513 -3.696 1.00 0.00 H new ATOM 1368 N VAL A 107 14.891 4.376 -0.786 1.00 0.00 N ATOM 1369 CA VAL A 107 14.485 3.121 -0.105 1.00 0.00 C ATOM 1370 C VAL A 107 13.080 2.637 -0.505 1.00 0.00 C ATOM 1371 O VAL A 107 12.210 2.423 0.339 1.00 0.00 O ATOM 1372 CB VAL A 107 14.668 3.185 1.427 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.163 3.241 1.761 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.958 4.372 2.086 1.00 0.00 C ATOM 0 H VAL A 107 14.843 5.192 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 107 15.177 2.361 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 107 14.207 2.283 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.293 3.286 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.656 2.350 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.605 4.127 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.133 4.349 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.348 5.303 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 107 12.887 4.310 1.891 1.00 0.00 H new ATOM 1384 N THR A 108 12.860 2.437 -1.809 1.00 0.00 N ATOM 1385 CA THR A 108 11.656 1.779 -2.360 1.00 0.00 C ATOM 1386 C THR A 108 10.354 2.467 -1.906 1.00 0.00 C ATOM 1387 O THR A 108 9.494 1.877 -1.250 1.00 0.00 O ATOM 1388 CB THR A 108 11.716 0.264 -2.062 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.925 -0.271 -2.576 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.613 -0.557 -2.742 1.00 0.00 C ATOM 0 H THR A 108 13.521 2.730 -2.528 1.00 0.00 H new ATOM 0 HA THR A 108 11.646 1.891 -3.444 1.00 0.00 H new ATOM 0 HB THR A 108 11.614 0.190 -0.979 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.965 -1.232 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.729 -1.609 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.638 -0.205 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.688 -0.442 -3.823 1.00 0.00 H new ATOM 1398 N LEU A 109 10.210 3.759 -2.234 1.00 0.00 N ATOM 1399 CA LEU A 109 8.987 4.519 -1.941 1.00 0.00 C ATOM 1400 C LEU A 109 7.892 4.198 -2.978 1.00 0.00 C ATOM 1401 O LEU A 109 7.966 4.632 -4.128 1.00 0.00 O ATOM 1402 CB LEU A 109 9.288 6.035 -1.851 1.00 0.00 C ATOM 1403 CG LEU A 109 10.233 6.481 -0.719 1.00 0.00 C ATOM 1404 CD1 LEU A 109 10.247 8.006 -0.649 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.855 5.958 0.667 1.00 0.00 C ATOM 0 H LEU A 109 10.932 4.303 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 109 8.608 4.215 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.718 6.355 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.342 6.565 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 109 11.207 6.061 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.914 8.327 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.597 8.411 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.239 8.370 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.574 6.321 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.858 6.311 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.863 4.868 0.659 1.00 0.00 H new ATOM 1417 N ALA A 110 6.870 3.451 -2.551 1.00 0.00 N ATOM 1418 CA ALA A 110 5.677 3.099 -3.330 1.00 0.00 C ATOM 1419 C ALA A 110 4.435 2.971 -2.421 1.00 0.00 C ATOM 1420 O ALA A 110 4.553 2.654 -1.235 1.00 0.00 O ATOM 1421 CB ALA A 110 5.952 1.798 -4.098 1.00 0.00 C ATOM 0 H ALA A 110 6.850 3.057 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 110 5.461 3.894 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.072 1.527 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.800 1.943 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.180 1.000 -3.392 1.00 0.00 H new ATOM 1427 N THR A 111 3.245 3.238 -2.969 1.00 0.00 N ATOM 1428 CA THR A 111 1.967 3.247 -2.225 1.00 0.00 C ATOM 1429 C THR A 111 0.758 2.878 -3.094 1.00 0.00 C ATOM 1430 O THR A 111 0.814 2.931 -4.333 1.00 0.00 O ATOM 1431 CB THR A 111 1.749 4.612 -1.543 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.622 4.554 -0.690 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.523 5.777 -2.513 1.00 0.00 C ATOM 0 H THR A 111 3.134 3.459 -3.959 1.00 0.00 H new ATOM 0 HA THR A 111 2.046 2.471 -1.463 1.00 0.00 H new ATOM 0 HB THR A 111 2.674 4.804 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.492 5.425 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.379 6.698 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.391 5.883 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.638 5.580 -3.118 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.614 12.361 -11.160 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.582 13.044 -10.439 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.798 10.851 -9.656 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.799 13.800 -13.098 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.819 12.348 -11.630 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.670 13.445 -9.663 1.00 0.00 C HETATM 1448 CD3 48L A 200 0.929 9.914 -10.688 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.264 10.516 -8.379 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.875 13.063 -13.615 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.218 14.782 -13.923 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.119 12.050 -12.035 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.968 13.144 -10.066 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.842 9.271 -8.134 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.533 8.683 -10.446 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.409 13.352 -14.868 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.777 15.085 -15.162 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.194 12.453 -11.249 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.983 8.350 -9.171 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.878 14.382 -15.627 1.00 0.00 C HETATM 1461 CL 48L A 200 6.815 12.111 -11.735 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.075 15.964 -17.023 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.343 15.484 -13.160 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.473 15.096 -15.508 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.247 18.724 -12.091 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.377 18.104 -12.469 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.144 19.915 -12.317 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.694 16.701 -12.174 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.413 16.459 -11.167 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.850 16.141 -11.013 1.00 0.00 C HETATM 1471 N3 48L A 200 0.508 14.314 -10.940 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.442 14.678 -16.844 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.159 17.911 -11.392 1.00 0.00 C HETATM 1474 C5 48L A 200 0.605 15.651 -10.764 1.00 0.00 C HETATM 1475 O5 48L A 200 1.581 16.140 -10.225 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.361 13.494 -11.701 1.00 0.00 C HETATM 1477 O6 48L A 200 0.964 15.415 -13.602 1.00 0.00 O HETATM 1478 C7 48L A 200 0.165 12.224 -9.898 1.00 0.00 C HETATM 1479 C8 48L A 200 1.165 13.412 -9.990 1.00 0.00 C HETATM 1480 C9 48L A 200 2.232 14.841 -14.008 1.00 0.00 C HETATM 1481 BR 48L A 200 1.760 7.457 -11.877 1.00 0.00 BR HETATM 1482 F 48L A 200 1.162 11.394 -7.364 1.00 0.00 F