USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 88 GLN : amide:sc= -1.74 K(o=-3.7,f=-2.1) USER MOD Set 1.2: A 105 ASN : amide:sc= -2 K(o=-3.7,f=-8.8!) USER MOD Set 2.1: A 61 MET CE :methyl 165:sc= -1.49 (180deg=-1.91) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.502 K(o=2.6,f=-6.1) USER MOD Set 3.2: A 26 GLN : amide:sc= 2.06 K(o=2.6,f=-6.1!) USER MOD Single : A 25 ASN : amide:sc= -0.0139 K(o=-0.014,f=-0.85) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.36 K(o=0.36,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= -0.382 K(o=-0.38,f=-0.97) USER MOD Single : A 46 MET CE :methyl -113:sc= 0 (180deg=-0.0766) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -160:sc= -0.129 (180deg=-0.277) 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= 0.575 K(o=0.58,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.652 K(o=0.65,f=-0.2) USER MOD Single : A 68 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 71 GLN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.641 K(o=0.64,f=-3!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 88:sc= 0.211 USER MOD Single : A 76 CYS SG : rot 88:sc= -0.17 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 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 139:sc= -2.71! (180deg=-4.1!) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.15) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.197 11.039 11.434 1.00 0.00 N ATOM 2 CA GLN A 23 5.941 10.497 10.292 1.00 0.00 C ATOM 3 C GLN A 23 5.720 8.982 10.094 1.00 0.00 C ATOM 4 O GLN A 23 5.109 8.308 10.929 1.00 0.00 O ATOM 5 CB GLN A 23 7.436 10.841 10.437 1.00 0.00 C ATOM 6 CG GLN A 23 7.699 12.346 10.280 1.00 0.00 C ATOM 7 CD GLN A 23 9.190 12.632 10.128 1.00 0.00 C ATOM 8 OE1 GLN A 23 9.744 12.583 9.036 1.00 0.00 O ATOM 9 NE2 GLN A 23 9.904 12.907 11.202 1.00 0.00 N ATOM 0 HA GLN A 23 5.553 10.968 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.791 10.511 11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.008 10.293 9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.163 12.723 9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.310 12.878 11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.454 12.951 12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.906 13.076 11.118 1.00 0.00 H new ATOM 18 N ILE A 24 6.218 8.450 8.970 1.00 0.00 N ATOM 19 CA ILE A 24 5.965 7.088 8.467 1.00 0.00 C ATOM 20 C ILE A 24 7.199 6.167 8.653 1.00 0.00 C ATOM 21 O ILE A 24 7.321 5.127 8.002 1.00 0.00 O ATOM 22 CB ILE A 24 5.426 7.121 7.004 1.00 0.00 C ATOM 23 CG1 ILE A 24 4.570 8.359 6.619 1.00 0.00 C ATOM 24 CG2 ILE A 24 4.530 5.889 6.759 1.00 0.00 C ATOM 25 CD1 ILE A 24 5.358 9.614 6.205 1.00 0.00 C ATOM 0 H ILE A 24 6.837 8.980 8.356 1.00 0.00 H new ATOM 0 HA ILE A 24 5.176 6.642 9.072 1.00 0.00 H new ATOM 0 HB ILE A 24 6.329 7.147 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.910 8.080 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.934 8.615 7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.153 5.911 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.112 4.980 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.692 5.904 7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.662 10.416 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.998 9.930 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.973 9.387 5.335 1.00 0.00 H new ATOM 37 N ASN A 25 8.143 6.558 9.523 1.00 0.00 N ATOM 38 CA ASN A 25 9.445 5.901 9.740 1.00 0.00 C ATOM 39 C ASN A 25 10.223 5.651 8.422 1.00 0.00 C ATOM 40 O ASN A 25 10.831 4.596 8.213 1.00 0.00 O ATOM 41 CB ASN A 25 9.248 4.658 10.634 1.00 0.00 C ATOM 42 CG ASN A 25 10.544 4.110 11.223 1.00 0.00 C ATOM 43 OD1 ASN A 25 11.572 4.772 11.299 1.00 0.00 O ATOM 44 ND2 ASN A 25 10.528 2.884 11.700 1.00 0.00 N ATOM 0 H ASN A 25 8.016 7.375 10.121 1.00 0.00 H new ATOM 0 HA ASN A 25 10.106 6.577 10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.569 4.912 11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.766 3.874 10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.367 2.492 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.677 2.325 11.641 1.00 0.00 H new ATOM 51 N GLN A 26 10.141 6.615 7.498 1.00 0.00 N ATOM 52 CA GLN A 26 10.643 6.529 6.128 1.00 0.00 C ATOM 53 C GLN A 26 12.160 6.789 6.011 1.00 0.00 C ATOM 54 O GLN A 26 12.831 7.153 6.980 1.00 0.00 O ATOM 55 CB GLN A 26 9.764 7.400 5.208 1.00 0.00 C ATOM 56 CG GLN A 26 10.009 8.916 5.259 1.00 0.00 C ATOM 57 CD GLN A 26 9.485 9.657 6.492 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.820 9.121 7.371 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.795 10.927 6.603 1.00 0.00 N ATOM 0 H GLN A 26 9.703 7.515 7.697 1.00 0.00 H new ATOM 0 HA GLN A 26 10.553 5.499 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.909 7.065 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.720 7.215 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.083 9.089 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.555 9.364 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.348 11.382 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.483 11.459 7.415 1.00 0.00 H new ATOM 68 N VAL A 27 12.696 6.588 4.803 1.00 0.00 N ATOM 69 CA VAL A 27 14.142 6.573 4.483 1.00 0.00 C ATOM 70 C VAL A 27 14.553 7.695 3.514 1.00 0.00 C ATOM 71 O VAL A 27 13.708 8.385 2.944 1.00 0.00 O ATOM 72 CB VAL A 27 14.575 5.177 3.978 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.495 4.138 5.103 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.736 4.678 2.797 1.00 0.00 C ATOM 0 H VAL A 27 12.116 6.423 3.980 1.00 0.00 H new ATOM 0 HA VAL A 27 14.679 6.777 5.409 1.00 0.00 H new ATOM 0 HB VAL A 27 15.604 5.295 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.805 3.165 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.154 4.434 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.470 4.075 5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.090 3.694 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.690 4.611 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.831 5.374 1.964 1.00 0.00 H new ATOM 84 N ARG A 28 15.862 7.934 3.362 1.00 0.00 N ATOM 85 CA ARG A 28 16.432 9.044 2.570 1.00 0.00 C ATOM 86 C ARG A 28 16.694 8.640 1.097 1.00 0.00 C ATOM 87 O ARG A 28 17.336 7.612 0.872 1.00 0.00 O ATOM 88 CB ARG A 28 17.701 9.534 3.295 1.00 0.00 C ATOM 89 CG ARG A 28 18.416 10.692 2.579 1.00 0.00 C ATOM 90 CD ARG A 28 19.139 11.619 3.567 1.00 0.00 C ATOM 91 NE ARG A 28 20.252 10.922 4.247 1.00 0.00 N ATOM 92 CZ ARG A 28 21.198 11.465 4.994 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.242 12.737 5.260 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.141 10.721 5.499 1.00 0.00 N ATOM 0 H ARG A 28 16.576 7.349 3.795 1.00 0.00 H new ATOM 0 HA ARG A 28 15.716 9.863 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.433 9.852 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.394 8.699 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.136 10.289 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.689 11.268 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.524 12.490 3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.430 11.986 4.309 1.00 0.00 H new ATOM 0 HE ARG A 28 20.295 9.910 4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.527 13.361 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.992 13.111 5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.150 9.717 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.870 11.142 6.075 1.00 0.00 H new ATOM 108 N PRO A 29 16.246 9.425 0.090 1.00 0.00 N ATOM 109 CA PRO A 29 16.621 9.250 -1.320 1.00 0.00 C ATOM 110 C PRO A 29 18.081 9.624 -1.599 1.00 0.00 C ATOM 111 O PRO A 29 18.800 10.111 -0.724 1.00 0.00 O ATOM 112 CB PRO A 29 15.653 10.147 -2.109 1.00 0.00 C ATOM 113 CG PRO A 29 15.337 11.272 -1.134 1.00 0.00 C ATOM 114 CD PRO A 29 15.339 10.559 0.215 1.00 0.00 C ATOM 0 HA PRO A 29 16.546 8.203 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.111 10.525 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.754 9.606 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.085 12.064 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.372 11.733 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.668 11.232 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.335 10.224 0.477 1.00 0.00 H new ATOM 122 N LYS A 30 18.515 9.421 -2.850 1.00 0.00 N ATOM 123 CA LYS A 30 19.827 9.847 -3.337 1.00 0.00 C ATOM 124 C LYS A 30 19.972 11.369 -3.178 1.00 0.00 C ATOM 125 O LYS A 30 19.011 12.114 -3.370 1.00 0.00 O ATOM 126 CB LYS A 30 19.944 9.369 -4.797 1.00 0.00 C ATOM 127 CG LYS A 30 21.362 9.242 -5.356 1.00 0.00 C ATOM 128 CD LYS A 30 21.981 7.835 -5.259 1.00 0.00 C ATOM 129 CE LYS A 30 22.197 7.340 -3.820 1.00 0.00 C ATOM 130 NZ LYS A 30 22.904 6.027 -3.796 1.00 0.00 N ATOM 0 H LYS A 30 17.954 8.949 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 30 20.644 9.410 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.455 8.398 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.387 10.061 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.351 9.546 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.008 9.943 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.335 7.129 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.939 7.835 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.776 8.077 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.234 7.246 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.034 5.721 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.339 5.319 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.833 6.124 -4.254 1.00 0.00 H new ATOM 144 N LEU A 31 21.172 11.843 -2.857 1.00 0.00 N ATOM 145 CA LEU A 31 21.394 13.245 -2.452 1.00 0.00 C ATOM 146 C LEU A 31 21.075 14.289 -3.542 1.00 0.00 C ATOM 147 O LEU A 31 20.436 15.291 -3.211 1.00 0.00 O ATOM 148 CB LEU A 31 22.805 13.414 -1.851 1.00 0.00 C ATOM 149 CG LEU A 31 23.073 12.606 -0.562 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.491 12.895 -0.068 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.097 12.936 0.572 1.00 0.00 C ATOM 0 H LEU A 31 22.020 11.277 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 31 20.661 13.460 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.539 13.123 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.968 14.471 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 31 22.941 11.556 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.682 12.326 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.209 12.606 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.593 13.960 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.340 12.334 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.177 13.993 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.079 12.715 0.252 1.00 0.00 H new ATOM 163 N PRO A 32 21.374 14.062 -4.839 1.00 0.00 N ATOM 164 CA PRO A 32 20.900 14.948 -5.904 1.00 0.00 C ATOM 165 C PRO A 32 19.370 14.983 -6.026 1.00 0.00 C ATOM 166 O PRO A 32 18.816 16.042 -6.297 1.00 0.00 O ATOM 167 CB PRO A 32 21.569 14.451 -7.192 1.00 0.00 C ATOM 168 CG PRO A 32 22.822 13.739 -6.689 1.00 0.00 C ATOM 169 CD PRO A 32 22.348 13.120 -5.377 1.00 0.00 C ATOM 0 HA PRO A 32 21.170 15.981 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.919 13.775 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.817 15.276 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 32 23.168 12.982 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.648 14.433 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.899 12.141 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.179 12.976 -4.687 1.00 0.00 H new ATOM 177 N LEU A 33 18.662 13.875 -5.755 1.00 0.00 N ATOM 178 CA LEU A 33 17.190 13.849 -5.787 1.00 0.00 C ATOM 179 C LEU A 33 16.600 14.673 -4.638 1.00 0.00 C ATOM 180 O LEU A 33 15.743 15.518 -4.877 1.00 0.00 O ATOM 181 CB LEU A 33 16.682 12.392 -5.838 1.00 0.00 C ATOM 182 CG LEU A 33 15.169 12.287 -6.134 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.873 11.001 -6.895 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.287 12.257 -4.884 1.00 0.00 C ATOM 0 H LEU A 33 19.087 12.981 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 33 16.837 14.329 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.234 11.848 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.894 11.906 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 33 14.934 13.184 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.804 10.937 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.422 11.001 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.180 10.144 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.240 12.182 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.554 11.396 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.438 13.171 -4.310 1.00 0.00 H new ATOM 196 N LEU A 34 17.124 14.522 -3.417 1.00 0.00 N ATOM 197 CA LEU A 34 16.810 15.397 -2.271 1.00 0.00 C ATOM 198 C LEU A 34 17.012 16.879 -2.627 1.00 0.00 C ATOM 199 O LEU A 34 16.187 17.725 -2.282 1.00 0.00 O ATOM 200 CB LEU A 34 17.678 14.919 -1.089 1.00 0.00 C ATOM 201 CG LEU A 34 17.719 15.774 0.198 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.191 14.873 1.338 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.731 16.917 0.105 1.00 0.00 C ATOM 0 H LEU A 34 17.787 13.781 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 34 15.759 15.326 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.338 13.921 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.701 14.818 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 34 16.724 16.191 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.231 15.448 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.496 14.042 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.184 14.486 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.722 17.488 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.728 16.508 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.466 17.571 -0.726 1.00 0.00 H new ATOM 215 N LYS A 35 18.060 17.194 -3.395 1.00 0.00 N ATOM 216 CA LYS A 35 18.338 18.557 -3.879 1.00 0.00 C ATOM 217 C LYS A 35 17.282 19.098 -4.858 1.00 0.00 C ATOM 218 O LYS A 35 17.033 20.300 -4.858 1.00 0.00 O ATOM 219 CB LYS A 35 19.758 18.616 -4.476 1.00 0.00 C ATOM 220 CG LYS A 35 20.495 19.920 -4.132 1.00 0.00 C ATOM 221 CD LYS A 35 21.299 19.859 -2.819 1.00 0.00 C ATOM 222 CE LYS A 35 20.466 19.581 -1.554 1.00 0.00 C ATOM 223 NZ LYS A 35 21.297 19.725 -0.323 1.00 0.00 N ATOM 0 H LYS A 35 18.747 16.506 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 35 18.281 19.221 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.337 17.769 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.696 18.514 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.172 20.169 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.768 20.729 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.059 19.083 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.824 20.805 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.623 20.271 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.052 18.574 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.712 19.532 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.087 19.049 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.672 20.694 -0.269 1.00 0.00 H new ATOM 237 N ILE A 36 16.591 18.241 -5.616 1.00 0.00 N ATOM 238 CA ILE A 36 15.431 18.636 -6.444 1.00 0.00 C ATOM 239 C ILE A 36 14.238 19.027 -5.555 1.00 0.00 C ATOM 240 O ILE A 36 13.582 20.034 -5.815 1.00 0.00 O ATOM 241 CB ILE A 36 15.036 17.524 -7.446 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.218 17.116 -8.352 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.870 17.990 -8.336 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.957 15.831 -9.144 1.00 0.00 C ATOM 0 H ILE A 36 16.816 17.248 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 36 15.725 19.508 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 36 14.735 16.659 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.430 17.927 -9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.108 16.982 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.605 17.196 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.008 18.227 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.170 18.878 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.826 15.600 -9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.774 15.008 -8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.085 15.969 -9.784 1.00 0.00 H new ATOM 256 N LEU A 37 13.985 18.299 -4.459 1.00 0.00 N ATOM 257 CA LEU A 37 12.951 18.688 -3.487 1.00 0.00 C ATOM 258 C LEU A 37 13.315 20.016 -2.795 1.00 0.00 C ATOM 259 O LEU A 37 12.450 20.877 -2.621 1.00 0.00 O ATOM 260 CB LEU A 37 12.694 17.571 -2.457 1.00 0.00 C ATOM 261 CG LEU A 37 11.962 16.323 -2.995 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.871 15.362 -3.751 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.399 15.534 -1.819 1.00 0.00 C ATOM 0 H LEU A 37 14.480 17.439 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 37 12.022 18.841 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.652 17.257 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.111 17.986 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 37 11.196 16.694 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.289 14.509 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.312 15.875 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.664 15.014 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.880 14.650 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.214 15.228 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.700 16.159 -1.263 1.00 0.00 H new ATOM 275 N HIS A 38 14.602 20.242 -2.496 1.00 0.00 N ATOM 276 CA HIS A 38 15.079 21.535 -1.979 1.00 0.00 C ATOM 277 C HIS A 38 14.890 22.667 -3.008 1.00 0.00 C ATOM 278 O HIS A 38 14.433 23.750 -2.642 1.00 0.00 O ATOM 279 CB HIS A 38 16.542 21.446 -1.508 1.00 0.00 C ATOM 280 CG HIS A 38 16.804 20.652 -0.241 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.911 20.842 0.593 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.052 19.631 0.269 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.792 19.944 1.585 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.695 19.191 1.406 1.00 0.00 N ATOM 0 H HIS A 38 15.336 19.542 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 38 14.466 21.781 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.132 21.007 -2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.913 22.460 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.131 19.243 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.481 19.842 2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.390 18.426 2.007 1.00 0.00 H new ATOM 292 N ALA A 39 15.139 22.415 -4.301 1.00 0.00 N ATOM 293 CA ALA A 39 14.874 23.366 -5.389 1.00 0.00 C ATOM 294 C ALA A 39 13.376 23.692 -5.553 1.00 0.00 C ATOM 295 O ALA A 39 13.024 24.808 -5.939 1.00 0.00 O ATOM 296 CB ALA A 39 15.429 22.792 -6.696 1.00 0.00 C ATOM 0 H ALA A 39 15.536 21.533 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 39 15.370 24.303 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.237 23.491 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.503 22.635 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.942 21.841 -6.912 1.00 0.00 H new ATOM 302 N ALA A 40 12.493 22.747 -5.207 1.00 0.00 N ATOM 303 CA ALA A 40 11.047 22.960 -5.130 1.00 0.00 C ATOM 304 C ALA A 40 10.611 23.803 -3.904 1.00 0.00 C ATOM 305 O ALA A 40 9.423 24.089 -3.740 1.00 0.00 O ATOM 306 CB ALA A 40 10.348 21.593 -5.152 1.00 0.00 C ATOM 0 H ALA A 40 12.772 21.795 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 40 10.746 23.549 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.269 21.735 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.597 21.072 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.681 21.000 -4.300 1.00 0.00 H new ATOM 312 N GLY A 41 11.557 24.196 -3.037 1.00 0.00 N ATOM 313 CA GLY A 41 11.331 24.991 -1.824 1.00 0.00 C ATOM 314 C GLY A 41 11.092 24.172 -0.547 1.00 0.00 C ATOM 315 O GLY A 41 10.758 24.755 0.487 1.00 0.00 O ATOM 0 H GLY A 41 12.540 23.958 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.193 25.639 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.471 25.640 -1.988 1.00 0.00 H new ATOM 319 N ALA A 42 11.252 22.842 -0.594 1.00 0.00 N ATOM 320 CA ALA A 42 10.974 21.936 0.522 1.00 0.00 C ATOM 321 C ALA A 42 12.262 21.398 1.172 1.00 0.00 C ATOM 322 O ALA A 42 12.962 20.561 0.598 1.00 0.00 O ATOM 323 CB ALA A 42 10.064 20.816 0.011 1.00 0.00 C ATOM 0 H ALA A 42 11.586 22.359 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 42 10.465 22.481 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.842 20.127 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.135 21.245 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.566 20.278 -0.793 1.00 0.00 H new ATOM 329 N GLN A 43 12.558 21.849 2.395 1.00 0.00 N ATOM 330 CA GLN A 43 13.626 21.280 3.225 1.00 0.00 C ATOM 331 C GLN A 43 13.232 19.868 3.703 1.00 0.00 C ATOM 332 O GLN A 43 12.069 19.608 4.027 1.00 0.00 O ATOM 333 CB GLN A 43 13.949 22.249 4.381 1.00 0.00 C ATOM 334 CG GLN A 43 15.201 21.879 5.205 1.00 0.00 C ATOM 335 CD GLN A 43 14.999 20.771 6.246 1.00 0.00 C ATOM 336 OE1 GLN A 43 13.917 20.536 6.767 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.039 20.040 6.596 1.00 0.00 N ATOM 0 H GLN A 43 12.062 22.622 2.839 1.00 0.00 H new ATOM 0 HA GLN A 43 14.539 21.162 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.084 23.250 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.090 22.292 5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.989 21.570 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.557 22.774 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.951 20.217 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.931 19.298 7.287 1.00 0.00 H new ATOM 346 N GLY A 44 14.205 18.953 3.747 1.00 0.00 N ATOM 347 CA GLY A 44 13.995 17.565 4.171 1.00 0.00 C ATOM 348 C GLY A 44 15.196 16.653 3.962 1.00 0.00 C ATOM 349 O GLY A 44 16.150 17.003 3.266 1.00 0.00 O ATOM 0 H GLY A 44 15.170 19.157 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.729 17.558 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.145 17.156 3.625 1.00 0.00 H new ATOM 353 N GLU A 45 15.108 15.467 4.562 1.00 0.00 N ATOM 354 CA GLU A 45 16.120 14.407 4.501 1.00 0.00 C ATOM 355 C GLU A 45 15.500 13.068 4.077 1.00 0.00 C ATOM 356 O GLU A 45 15.887 12.495 3.067 1.00 0.00 O ATOM 357 CB GLU A 45 16.824 14.294 5.867 1.00 0.00 C ATOM 358 CG GLU A 45 17.697 15.508 6.224 1.00 0.00 C ATOM 359 CD GLU A 45 18.890 15.725 5.268 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.433 14.732 4.726 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.329 16.891 5.104 1.00 0.00 O ATOM 0 H GLU A 45 14.300 15.205 5.126 1.00 0.00 H new ATOM 0 HA GLU A 45 16.860 14.666 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.070 14.161 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.446 13.399 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.075 16.403 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.075 15.385 7.239 1.00 0.00 H new ATOM 368 N MET A 46 14.511 12.576 4.824 1.00 0.00 N ATOM 369 CA MET A 46 13.833 11.289 4.615 1.00 0.00 C ATOM 370 C MET A 46 12.420 11.473 4.036 1.00 0.00 C ATOM 371 O MET A 46 11.598 12.174 4.632 1.00 0.00 O ATOM 372 CB MET A 46 13.812 10.505 5.935 1.00 0.00 C ATOM 373 CG MET A 46 15.220 10.061 6.361 1.00 0.00 C ATOM 374 SD MET A 46 15.445 9.862 8.146 1.00 0.00 S ATOM 375 CE MET A 46 15.537 11.616 8.594 1.00 0.00 C ATOM 0 H MET A 46 14.142 13.084 5.628 1.00 0.00 H new ATOM 0 HA MET A 46 14.390 10.715 3.875 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.374 11.124 6.718 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.172 9.629 5.827 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.451 9.115 5.872 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.942 10.792 5.997 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.541 11.849 8.949 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.311 12.227 7.720 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.815 11.829 9.382 1.00 0.00 H new ATOM 385 N PHE A 47 12.120 10.816 2.908 1.00 0.00 N ATOM 386 CA PHE A 47 10.864 10.991 2.154 1.00 0.00 C ATOM 387 C PHE A 47 10.279 9.663 1.617 1.00 0.00 C ATOM 388 O PHE A 47 11.022 8.776 1.198 1.00 0.00 O ATOM 389 CB PHE A 47 11.088 11.947 0.969 1.00 0.00 C ATOM 390 CG PHE A 47 11.753 13.289 1.240 1.00 0.00 C ATOM 391 CD1 PHE A 47 13.154 13.399 1.168 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.982 14.450 1.446 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.782 14.653 1.244 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.609 15.709 1.528 1.00 0.00 C ATOM 395 CZ PHE A 47 13.006 15.814 1.392 1.00 0.00 C ATOM 0 H PHE A 47 12.751 10.136 2.484 1.00 0.00 H new ATOM 0 HA PHE A 47 10.144 11.405 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.690 11.422 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.118 12.143 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.754 12.508 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.909 14.375 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.858 14.724 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.016 16.596 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.480 16.785 1.401 1.00 0.00 H new ATOM 405 N THR A 48 8.947 9.538 1.575 1.00 0.00 N ATOM 406 CA THR A 48 8.204 8.442 0.899 1.00 0.00 C ATOM 407 C THR A 48 7.919 8.769 -0.577 1.00 0.00 C ATOM 408 O THR A 48 8.149 9.898 -1.004 1.00 0.00 O ATOM 409 CB THR A 48 6.858 8.191 1.602 1.00 0.00 C ATOM 410 OG1 THR A 48 6.035 9.327 1.446 1.00 0.00 O ATOM 411 CG2 THR A 48 6.992 7.900 3.093 1.00 0.00 C ATOM 0 H THR A 48 8.327 10.214 2.022 1.00 0.00 H new ATOM 0 HA THR A 48 8.835 7.555 0.953 1.00 0.00 H new ATOM 0 HB THR A 48 6.426 7.306 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.176 9.172 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.004 7.733 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.604 7.010 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.464 8.749 3.588 1.00 0.00 H new ATOM 419 N VAL A 49 7.349 7.842 -1.371 1.00 0.00 N ATOM 420 CA VAL A 49 6.834 8.181 -2.726 1.00 0.00 C ATOM 421 C VAL A 49 5.810 9.315 -2.624 1.00 0.00 C ATOM 422 O VAL A 49 5.923 10.290 -3.361 1.00 0.00 O ATOM 423 CB VAL A 49 6.238 6.952 -3.464 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.165 7.269 -4.519 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.341 6.189 -4.209 1.00 0.00 C ATOM 0 H VAL A 49 7.231 6.863 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 49 7.680 8.515 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 49 5.772 6.377 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.816 6.342 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.326 7.778 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.591 7.913 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.907 5.330 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.810 6.848 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.091 5.846 -3.496 1.00 0.00 H new ATOM 435 N LYS A 50 4.862 9.246 -1.679 1.00 0.00 N ATOM 436 CA LYS A 50 3.814 10.262 -1.493 1.00 0.00 C ATOM 437 C LYS A 50 4.392 11.654 -1.215 1.00 0.00 C ATOM 438 O LYS A 50 3.923 12.639 -1.782 1.00 0.00 O ATOM 439 CB LYS A 50 2.891 9.774 -0.370 1.00 0.00 C ATOM 440 CG LYS A 50 1.621 10.622 -0.227 1.00 0.00 C ATOM 441 CD LYS A 50 0.698 9.946 0.793 1.00 0.00 C ATOM 442 CE LYS A 50 -0.656 10.656 0.954 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.539 11.979 1.629 1.00 0.00 N ATOM 0 H LYS A 50 4.800 8.475 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 50 3.244 10.380 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.610 8.739 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.437 9.786 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.874 11.630 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.118 10.716 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.525 8.914 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.200 9.912 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.108 10.793 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.329 10.019 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.481 12.412 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.134 11.850 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.080 12.600 1.070 1.00 0.00 H new ATOM 457 N GLU A 51 5.449 11.732 -0.405 1.00 0.00 N ATOM 458 CA GLU A 51 6.162 12.987 -0.129 1.00 0.00 C ATOM 459 C GLU A 51 7.051 13.438 -1.299 1.00 0.00 C ATOM 460 O GLU A 51 7.124 14.635 -1.577 1.00 0.00 O ATOM 461 CB GLU A 51 7.003 12.838 1.145 1.00 0.00 C ATOM 462 CG GLU A 51 6.144 12.661 2.403 1.00 0.00 C ATOM 463 CD GLU A 51 7.030 12.490 3.651 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.823 11.519 3.701 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.935 13.330 4.581 1.00 0.00 O ATOM 0 H GLU A 51 5.839 10.925 0.082 1.00 0.00 H new ATOM 0 HA GLU A 51 5.407 13.761 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.667 11.980 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.636 13.718 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.493 13.526 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.498 11.791 2.288 1.00 0.00 H new ATOM 472 N VAL A 52 7.691 12.508 -2.021 1.00 0.00 N ATOM 473 CA VAL A 52 8.511 12.837 -3.197 1.00 0.00 C ATOM 474 C VAL A 52 7.646 13.363 -4.336 1.00 0.00 C ATOM 475 O VAL A 52 7.866 14.496 -4.743 1.00 0.00 O ATOM 476 CB VAL A 52 9.439 11.685 -3.639 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.133 11.965 -4.982 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.564 11.468 -2.622 1.00 0.00 C ATOM 0 H VAL A 52 7.656 11.511 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 52 9.184 13.640 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 52 8.791 10.813 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.773 11.122 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.381 12.104 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.738 12.868 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.204 10.651 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.155 12.379 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.134 11.219 -1.652 1.00 0.00 H new ATOM 488 N MET A 53 6.651 12.621 -4.839 1.00 0.00 N ATOM 489 CA MET A 53 5.880 13.033 -6.034 1.00 0.00 C ATOM 490 C MET A 53 5.153 14.354 -5.842 1.00 0.00 C ATOM 491 O MET A 53 4.987 15.119 -6.789 1.00 0.00 O ATOM 492 CB MET A 53 4.816 11.998 -6.426 1.00 0.00 C ATOM 493 CG MET A 53 5.380 10.616 -6.633 1.00 0.00 C ATOM 494 SD MET A 53 6.843 10.623 -7.676 1.00 0.00 S ATOM 495 CE MET A 53 7.895 9.705 -6.592 1.00 0.00 C ATOM 0 H MET A 53 6.356 11.730 -4.441 1.00 0.00 H new ATOM 0 HA MET A 53 6.632 13.129 -6.817 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.053 11.959 -5.649 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.322 12.323 -7.342 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.629 10.179 -5.666 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.619 9.979 -7.084 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.937 9.883 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.724 10.023 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.674 8.642 -6.684 1.00 0.00 H new ATOM 505 N HIS A 54 4.767 14.621 -4.599 1.00 0.00 N ATOM 506 CA HIS A 54 4.181 15.911 -4.207 1.00 0.00 C ATOM 507 C HIS A 54 5.093 17.094 -4.596 1.00 0.00 C ATOM 508 O HIS A 54 4.693 17.948 -5.390 1.00 0.00 O ATOM 509 CB HIS A 54 3.845 15.903 -2.710 1.00 0.00 C ATOM 510 CG HIS A 54 3.279 17.213 -2.221 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.016 17.726 -2.533 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.932 18.102 -1.419 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.939 18.915 -1.907 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.075 19.164 -1.231 1.00 0.00 N ATOM 0 H HIS A 54 4.849 13.955 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 54 3.251 16.051 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.128 15.107 -2.510 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.746 15.670 -2.143 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.926 17.994 -1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.086 19.576 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.269 19.997 -0.675 1.00 0.00 H new ATOM 522 N TYR A 55 6.332 17.128 -4.092 1.00 0.00 N ATOM 523 CA TYR A 55 7.335 18.144 -4.451 1.00 0.00 C ATOM 524 C TYR A 55 7.966 17.966 -5.847 1.00 0.00 C ATOM 525 O TYR A 55 8.284 18.959 -6.497 1.00 0.00 O ATOM 526 CB TYR A 55 8.395 18.218 -3.343 1.00 0.00 C ATOM 527 CG TYR A 55 7.840 18.619 -1.984 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.181 19.856 -1.826 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.972 17.755 -0.878 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.652 20.223 -0.573 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.453 18.122 0.379 1.00 0.00 C ATOM 532 CZ TYR A 55 6.792 19.361 0.536 1.00 0.00 C ATOM 533 OH TYR A 55 6.281 19.728 1.745 1.00 0.00 O ATOM 0 H TYR A 55 6.673 16.445 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 55 6.809 19.096 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.881 17.247 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.163 18.933 -3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.082 20.524 -2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.474 16.806 -0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.138 21.166 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.560 17.456 1.223 1.00 0.00 H new ATOM 0 HH TYR A 55 6.460 19.024 2.403 1.00 0.00 H new ATOM 543 N LEU A 56 8.143 16.736 -6.344 1.00 0.00 N ATOM 544 CA LEU A 56 8.787 16.459 -7.640 1.00 0.00 C ATOM 545 C LEU A 56 7.868 16.791 -8.822 1.00 0.00 C ATOM 546 O LEU A 56 8.314 17.408 -9.785 1.00 0.00 O ATOM 547 CB LEU A 56 9.288 14.994 -7.703 1.00 0.00 C ATOM 548 CG LEU A 56 10.753 14.797 -8.132 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.047 15.351 -9.524 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.720 15.409 -7.124 1.00 0.00 C ATOM 0 H LEU A 56 7.841 15.894 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 56 9.653 17.116 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.155 14.543 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.651 14.443 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 56 10.904 13.718 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.096 15.182 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.417 14.847 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.838 16.421 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.745 15.250 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.528 16.478 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.580 14.936 -6.152 1.00 0.00 H new ATOM 562 N GLY A 57 6.575 16.473 -8.727 1.00 0.00 N ATOM 563 CA GLY A 57 5.567 16.896 -9.703 1.00 0.00 C ATOM 564 C GLY A 57 5.418 18.417 -9.735 1.00 0.00 C ATOM 565 O GLY A 57 5.396 19.010 -10.810 1.00 0.00 O ATOM 0 H GLY A 57 6.195 15.911 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.845 16.536 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.608 16.441 -9.457 1.00 0.00 H new ATOM 569 N GLN A 58 5.442 19.068 -8.566 1.00 0.00 N ATOM 570 CA GLN A 58 5.495 20.530 -8.438 1.00 0.00 C ATOM 571 C GLN A 58 6.761 21.122 -9.085 1.00 0.00 C ATOM 572 O GLN A 58 6.656 22.099 -9.832 1.00 0.00 O ATOM 573 CB GLN A 58 5.376 20.880 -6.941 1.00 0.00 C ATOM 574 CG GLN A 58 5.607 22.351 -6.560 1.00 0.00 C ATOM 575 CD GLN A 58 4.557 23.303 -7.136 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.594 23.679 -6.480 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.686 23.727 -8.378 1.00 0.00 N ATOM 0 H GLN A 58 5.425 18.586 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 58 4.664 20.980 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.381 20.592 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.091 20.269 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.610 22.440 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.594 22.658 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.482 23.425 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.990 24.357 -8.777 1.00 0.00 H new ATOM 586 N TYR A 59 7.937 20.527 -8.852 1.00 0.00 N ATOM 587 CA TYR A 59 9.207 20.943 -9.452 1.00 0.00 C ATOM 588 C TYR A 59 9.137 20.842 -10.981 1.00 0.00 C ATOM 589 O TYR A 59 9.378 21.815 -11.693 1.00 0.00 O ATOM 590 CB TYR A 59 10.349 20.080 -8.894 1.00 0.00 C ATOM 591 CG TYR A 59 11.667 20.329 -9.593 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.974 19.587 -10.747 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.541 21.336 -9.144 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.122 19.882 -11.497 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.708 21.622 -9.879 1.00 0.00 C ATOM 596 CZ TYR A 59 13.992 20.910 -11.069 1.00 0.00 C ATOM 597 OH TYR A 59 15.091 21.222 -11.810 1.00 0.00 O ATOM 0 H TYR A 59 8.033 19.726 -8.228 1.00 0.00 H new ATOM 0 HA TYR A 59 9.400 21.985 -9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.464 20.282 -7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.084 19.027 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.322 18.785 -11.058 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.319 21.886 -8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.340 19.326 -12.397 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.388 22.387 -9.534 1.00 0.00 H new ATOM 0 HH TYR A 59 15.582 21.951 -11.377 1.00 0.00 H new ATOM 607 N ILE A 60 8.721 19.680 -11.490 1.00 0.00 N ATOM 608 CA ILE A 60 8.583 19.416 -12.924 1.00 0.00 C ATOM 609 C ILE A 60 7.552 20.363 -13.551 1.00 0.00 C ATOM 610 O ILE A 60 7.794 20.870 -14.642 1.00 0.00 O ATOM 611 CB ILE A 60 8.278 17.913 -13.133 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.569 17.098 -12.858 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.722 17.631 -14.540 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.421 15.576 -12.994 1.00 0.00 C ATOM 0 H ILE A 60 8.466 18.883 -10.907 1.00 0.00 H new ATOM 0 HA ILE A 60 9.516 19.625 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 60 7.501 17.608 -12.433 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.346 17.435 -13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.915 17.325 -11.850 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.521 16.565 -14.645 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.798 18.190 -14.685 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.453 17.938 -15.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.377 15.097 -12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.672 15.219 -12.287 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.109 15.330 -14.009 1.00 0.00 H new ATOM 626 N MET A 61 6.457 20.690 -12.861 1.00 0.00 N ATOM 627 CA MET A 61 5.468 21.657 -13.347 1.00 0.00 C ATOM 628 C MET A 61 6.005 23.093 -13.413 1.00 0.00 C ATOM 629 O MET A 61 5.732 23.789 -14.390 1.00 0.00 O ATOM 630 CB MET A 61 4.197 21.606 -12.479 1.00 0.00 C ATOM 631 CG MET A 61 3.321 20.373 -12.748 1.00 0.00 C ATOM 632 SD MET A 61 1.995 20.590 -13.975 1.00 0.00 S ATOM 633 CE MET A 61 2.937 20.823 -15.505 1.00 0.00 C ATOM 0 H MET A 61 6.230 20.292 -11.950 1.00 0.00 H new ATOM 0 HA MET A 61 5.229 21.365 -14.370 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.484 21.616 -11.427 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.608 22.506 -12.657 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.966 19.559 -13.079 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.870 20.060 -11.806 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.275 20.701 -16.362 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.368 21.824 -15.518 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.736 20.084 -15.556 1.00 0.00 H new ATOM 643 N VAL A 62 6.758 23.554 -12.405 1.00 0.00 N ATOM 644 CA VAL A 62 7.273 24.933 -12.341 1.00 0.00 C ATOM 645 C VAL A 62 8.500 25.173 -13.226 1.00 0.00 C ATOM 646 O VAL A 62 8.685 26.275 -13.745 1.00 0.00 O ATOM 647 CB VAL A 62 7.449 25.382 -10.878 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.630 24.758 -10.135 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.588 26.896 -10.787 1.00 0.00 C ATOM 0 H VAL A 62 7.029 22.980 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 62 6.517 25.585 -12.780 1.00 0.00 H new ATOM 0 HB VAL A 62 6.542 25.026 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.662 25.142 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.514 23.674 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.558 25.012 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.711 27.188 -9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.459 27.216 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.694 27.369 -11.193 1.00 0.00 H new ATOM 659 N LYS A 63 9.312 24.129 -13.433 1.00 0.00 N ATOM 660 CA LYS A 63 10.506 24.141 -14.301 1.00 0.00 C ATOM 661 C LYS A 63 10.256 23.582 -15.712 1.00 0.00 C ATOM 662 O LYS A 63 11.098 23.772 -16.590 1.00 0.00 O ATOM 663 CB LYS A 63 11.680 23.423 -13.597 1.00 0.00 C ATOM 664 CG LYS A 63 12.051 23.944 -12.191 1.00 0.00 C ATOM 665 CD LYS A 63 12.026 25.478 -12.072 1.00 0.00 C ATOM 666 CE LYS A 63 12.602 25.983 -10.741 1.00 0.00 C ATOM 667 NZ LYS A 63 14.092 25.968 -10.732 1.00 0.00 N ATOM 0 H LYS A 63 9.156 23.224 -12.990 1.00 0.00 H new ATOM 0 HA LYS A 63 10.771 25.186 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.436 22.364 -13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.561 23.500 -14.235 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.359 23.521 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.047 23.585 -11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.594 25.911 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.999 25.829 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.249 26.998 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.229 25.362 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.437 26.317 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.430 24.996 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.450 26.581 -11.492 1.00 0.00 H new ATOM 681 N GLN A 64 9.112 22.924 -15.939 1.00 0.00 N ATOM 682 CA GLN A 64 8.715 22.248 -17.178 1.00 0.00 C ATOM 683 C GLN A 64 9.765 21.249 -17.725 1.00 0.00 C ATOM 684 O GLN A 64 10.484 21.540 -18.684 1.00 0.00 O ATOM 685 CB GLN A 64 8.213 23.226 -18.263 1.00 0.00 C ATOM 686 CG GLN A 64 7.055 24.141 -17.832 1.00 0.00 C ATOM 687 CD GLN A 64 7.511 25.422 -17.132 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.408 26.134 -17.568 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.902 25.782 -16.026 1.00 0.00 N ATOM 0 H GLN A 64 8.396 22.845 -15.217 1.00 0.00 H new ATOM 0 HA GLN A 64 7.862 21.633 -16.890 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.048 23.849 -18.583 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.895 22.649 -19.131 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.468 24.407 -18.711 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.396 23.587 -17.164 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.153 25.204 -15.645 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.178 26.639 -15.548 1.00 0.00 H new ATOM 698 N LEU A 65 9.837 20.045 -17.133 1.00 0.00 N ATOM 699 CA LEU A 65 10.751 18.958 -17.555 1.00 0.00 C ATOM 700 C LEU A 65 10.081 17.948 -18.518 1.00 0.00 C ATOM 701 O LEU A 65 10.683 16.959 -18.941 1.00 0.00 O ATOM 702 CB LEU A 65 11.369 18.321 -16.298 1.00 0.00 C ATOM 703 CG LEU A 65 12.697 17.563 -16.510 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.780 18.392 -17.209 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.236 17.193 -15.133 1.00 0.00 C ATOM 0 H LEU A 65 9.255 19.791 -16.335 1.00 0.00 H new ATOM 0 HA LEU A 65 11.561 19.374 -18.154 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.535 19.106 -15.560 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.643 17.630 -15.870 1.00 0.00 H new ATOM 0 HG LEU A 65 12.479 16.705 -17.146 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.682 17.791 -17.322 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.424 18.700 -18.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.005 19.275 -16.611 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.177 16.654 -15.243 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.403 18.100 -14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.514 16.560 -14.618 1.00 0.00 H new ATOM 717 N TYR A 66 8.820 18.216 -18.860 1.00 0.00 N ATOM 718 CA TYR A 66 7.988 17.506 -19.831 1.00 0.00 C ATOM 719 C TYR A 66 7.906 18.280 -21.155 1.00 0.00 C ATOM 720 O TYR A 66 8.181 19.483 -21.195 1.00 0.00 O ATOM 721 CB TYR A 66 6.584 17.298 -19.227 1.00 0.00 C ATOM 722 CG TYR A 66 5.857 18.605 -18.943 1.00 0.00 C ATOM 723 CD1 TYR A 66 6.073 19.289 -17.731 1.00 0.00 C ATOM 724 CD2 TYR A 66 5.027 19.177 -19.927 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.492 20.554 -17.522 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.430 20.435 -19.714 1.00 0.00 C ATOM 727 CZ TYR A 66 4.669 21.132 -18.511 1.00 0.00 C ATOM 728 OH TYR A 66 4.108 22.354 -18.294 1.00 0.00 O ATOM 0 H TYR A 66 8.316 18.994 -18.433 1.00 0.00 H new ATOM 0 HA TYR A 66 8.436 16.537 -20.050 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.985 16.698 -19.912 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.674 16.730 -18.301 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.685 18.843 -16.961 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.847 18.647 -20.851 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.677 21.085 -16.600 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.790 20.865 -20.470 1.00 0.00 H new ATOM 0 HH TYR A 66 3.571 22.610 -19.073 1.00 0.00 H new ATOM 738 N ASP A 67 7.501 17.608 -22.238 1.00 0.00 N ATOM 739 CA ASP A 67 7.160 18.297 -23.488 1.00 0.00 C ATOM 740 C ASP A 67 5.656 18.603 -23.508 1.00 0.00 C ATOM 741 O ASP A 67 4.851 17.713 -23.224 1.00 0.00 O ATOM 742 CB ASP A 67 7.578 17.486 -24.723 1.00 0.00 C ATOM 743 CG ASP A 67 7.605 18.380 -25.968 1.00 0.00 C ATOM 744 OD1 ASP A 67 6.512 18.788 -26.418 1.00 0.00 O ATOM 745 OD2 ASP A 67 8.709 18.689 -26.479 1.00 0.00 O ATOM 0 H ASP A 67 7.402 16.594 -22.275 1.00 0.00 H new ATOM 0 HA ASP A 67 7.717 19.233 -23.528 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.563 17.048 -24.561 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.883 16.660 -24.876 1.00 0.00 H new ATOM 750 N GLN A 68 5.244 19.831 -23.851 1.00 0.00 N ATOM 751 CA GLN A 68 3.823 20.211 -23.820 1.00 0.00 C ATOM 752 C GLN A 68 2.940 19.319 -24.710 1.00 0.00 C ATOM 753 O GLN A 68 1.755 19.150 -24.423 1.00 0.00 O ATOM 754 CB GLN A 68 3.654 21.702 -24.184 1.00 0.00 C ATOM 755 CG GLN A 68 3.719 22.038 -25.693 1.00 0.00 C ATOM 756 CD GLN A 68 2.391 22.558 -26.243 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.182 23.750 -26.427 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.442 21.688 -26.529 1.00 0.00 N ATOM 0 H GLN A 68 5.871 20.577 -24.152 1.00 0.00 H new ATOM 0 HA GLN A 68 3.477 20.055 -22.798 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.695 22.045 -23.796 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.428 22.272 -23.670 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.494 22.786 -25.861 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.012 21.146 -26.247 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.602 20.692 -26.381 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.548 22.012 -26.898 1.00 0.00 H new ATOM 767 N GLN A 69 3.502 18.766 -25.794 1.00 0.00 N ATOM 768 CA GLN A 69 2.777 17.992 -26.796 1.00 0.00 C ATOM 769 C GLN A 69 2.494 16.556 -26.317 1.00 0.00 C ATOM 770 O GLN A 69 1.559 15.897 -26.774 1.00 0.00 O ATOM 771 CB GLN A 69 3.611 17.930 -28.084 1.00 0.00 C ATOM 772 CG GLN A 69 4.039 19.312 -28.598 1.00 0.00 C ATOM 773 CD GLN A 69 4.652 19.303 -30.000 1.00 0.00 C ATOM 774 OE1 GLN A 69 4.931 18.276 -30.610 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.885 20.466 -30.574 1.00 0.00 N ATOM 0 H GLN A 69 4.498 18.850 -25.998 1.00 0.00 H new ATOM 0 HA GLN A 69 1.822 18.486 -26.974 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.500 17.326 -27.904 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.034 17.425 -28.858 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.171 19.971 -28.599 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.761 19.737 -27.902 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.660 21.331 -30.083 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.290 20.501 -31.509 1.00 0.00 H new ATOM 784 N GLU A 70 3.343 16.080 -25.404 1.00 0.00 N ATOM 785 CA GLU A 70 3.451 14.699 -24.922 1.00 0.00 C ATOM 786 C GLU A 70 3.796 14.687 -23.422 1.00 0.00 C ATOM 787 O GLU A 70 4.850 14.206 -23.010 1.00 0.00 O ATOM 788 CB GLU A 70 4.489 13.924 -25.762 1.00 0.00 C ATOM 789 CG GLU A 70 4.013 13.656 -27.196 1.00 0.00 C ATOM 790 CD GLU A 70 4.820 12.516 -27.842 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.469 11.330 -27.620 1.00 0.00 O ATOM 792 OE2 GLU A 70 5.796 12.792 -28.583 1.00 0.00 O ATOM 0 H GLU A 70 4.021 16.691 -24.949 1.00 0.00 H new ATOM 0 HA GLU A 70 2.492 14.195 -25.041 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.420 14.490 -25.793 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.709 12.975 -25.274 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.954 13.398 -27.189 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.116 14.562 -27.792 1.00 0.00 H new ATOM 799 N GLN A 71 2.892 15.213 -22.585 1.00 0.00 N ATOM 800 CA GLN A 71 3.062 15.266 -21.120 1.00 0.00 C ATOM 801 C GLN A 71 3.206 13.873 -20.475 1.00 0.00 C ATOM 802 O GLN A 71 3.767 13.744 -19.386 1.00 0.00 O ATOM 803 CB GLN A 71 1.879 16.030 -20.509 1.00 0.00 C ATOM 804 CG GLN A 71 1.966 17.532 -20.814 1.00 0.00 C ATOM 805 CD GLN A 71 0.607 18.231 -20.792 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.118 18.221 -19.805 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.204 18.864 -21.876 1.00 0.00 N ATOM 0 H GLN A 71 2.013 15.619 -22.905 1.00 0.00 H new ATOM 0 HA GLN A 71 3.997 15.787 -20.912 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.944 15.631 -20.902 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.863 15.876 -19.430 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.623 18.007 -20.085 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.423 17.671 -21.794 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.796 18.882 -22.706 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.700 19.336 -21.884 1.00 0.00 H new ATOM 816 N HIS A 72 2.764 12.821 -21.178 1.00 0.00 N ATOM 817 CA HIS A 72 3.009 11.413 -20.839 1.00 0.00 C ATOM 818 C HIS A 72 4.490 10.994 -20.945 1.00 0.00 C ATOM 819 O HIS A 72 4.826 9.883 -20.539 1.00 0.00 O ATOM 820 CB HIS A 72 2.108 10.518 -21.710 1.00 0.00 C ATOM 821 CG HIS A 72 2.173 10.799 -23.196 1.00 0.00 C ATOM 822 ND1 HIS A 72 1.153 11.393 -23.947 1.00 0.00 N ATOM 823 CD2 HIS A 72 3.225 10.531 -24.025 1.00 0.00 C ATOM 824 CE1 HIS A 72 1.605 11.443 -25.213 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.846 10.935 -25.286 1.00 0.00 N ATOM 0 H HIS A 72 2.208 12.931 -22.026 1.00 0.00 H new ATOM 0 HA HIS A 72 2.756 11.284 -19.787 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.382 9.477 -21.540 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.076 10.634 -21.378 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.170 10.089 -23.746 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.049 11.836 -26.051 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.412 10.861 -26.132 1.00 0.00 H new ATOM 833 N MET A 73 5.375 11.853 -21.461 1.00 0.00 N ATOM 834 CA MET A 73 6.827 11.666 -21.538 1.00 0.00 C ATOM 835 C MET A 73 7.591 12.831 -20.879 1.00 0.00 C ATOM 836 O MET A 73 7.196 13.998 -20.948 1.00 0.00 O ATOM 837 CB MET A 73 7.235 11.414 -23.000 1.00 0.00 C ATOM 838 CG MET A 73 8.752 11.325 -23.205 1.00 0.00 C ATOM 839 SD MET A 73 9.258 10.417 -24.690 1.00 0.00 S ATOM 840 CE MET A 73 10.168 9.058 -23.906 1.00 0.00 C ATOM 0 H MET A 73 5.081 12.746 -21.858 1.00 0.00 H new ATOM 0 HA MET A 73 7.108 10.784 -20.962 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.775 10.487 -23.343 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.839 12.216 -23.623 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.159 12.335 -23.256 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.196 10.846 -22.333 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.557 8.390 -24.674 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.996 9.463 -23.324 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.499 8.504 -23.248 1.00 0.00 H new ATOM 850 N VAL A 74 8.706 12.494 -20.226 1.00 0.00 N ATOM 851 CA VAL A 74 9.554 13.387 -19.424 1.00 0.00 C ATOM 852 C VAL A 74 11.009 13.231 -19.880 1.00 0.00 C ATOM 853 O VAL A 74 11.444 12.119 -20.187 1.00 0.00 O ATOM 854 CB VAL A 74 9.422 13.090 -17.911 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.786 14.330 -17.087 1.00 0.00 C ATOM 856 CG2 VAL A 74 8.011 12.661 -17.478 1.00 0.00 C ATOM 0 H VAL A 74 9.063 11.539 -20.242 1.00 0.00 H new ATOM 0 HA VAL A 74 9.227 14.415 -19.577 1.00 0.00 H new ATOM 0 HB VAL A 74 10.106 12.261 -17.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.688 14.103 -16.025 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.814 14.621 -17.302 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.115 15.149 -17.347 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.002 12.471 -16.405 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.301 13.454 -17.713 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.728 11.752 -18.009 1.00 0.00 H new ATOM 866 N TYR A 75 11.764 14.332 -19.935 1.00 0.00 N ATOM 867 CA TYR A 75 13.111 14.391 -20.518 1.00 0.00 C ATOM 868 C TYR A 75 14.143 14.897 -19.496 1.00 0.00 C ATOM 869 O TYR A 75 14.639 16.021 -19.590 1.00 0.00 O ATOM 870 CB TYR A 75 13.074 15.253 -21.792 1.00 0.00 C ATOM 871 CG TYR A 75 12.328 14.644 -22.967 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.989 13.725 -23.806 1.00 0.00 C ATOM 873 CD2 TYR A 75 11.006 15.037 -23.259 1.00 0.00 C ATOM 874 CE1 TYR A 75 12.344 13.221 -24.951 1.00 0.00 C ATOM 875 CE2 TYR A 75 10.357 14.534 -24.404 1.00 0.00 C ATOM 876 CZ TYR A 75 11.031 13.637 -25.264 1.00 0.00 C ATOM 877 OH TYR A 75 10.437 13.187 -26.405 1.00 0.00 O ATOM 0 H TYR A 75 11.449 15.230 -19.567 1.00 0.00 H new ATOM 0 HA TYR A 75 13.431 13.386 -20.794 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.615 16.211 -21.549 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.099 15.459 -22.101 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.994 13.406 -23.570 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.490 15.724 -22.605 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.853 12.516 -25.591 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.343 14.834 -24.625 1.00 0.00 H new ATOM 0 HH TYR A 75 9.980 12.339 -26.223 1.00 0.00 H new ATOM 887 N CYS A 76 14.472 14.073 -18.493 1.00 0.00 N ATOM 888 CA CYS A 76 15.329 14.486 -17.372 1.00 0.00 C ATOM 889 C CYS A 76 16.839 14.298 -17.628 1.00 0.00 C ATOM 890 O CYS A 76 17.637 14.475 -16.711 1.00 0.00 O ATOM 891 CB CYS A 76 14.885 13.833 -16.051 1.00 0.00 C ATOM 892 SG CYS A 76 13.080 13.713 -15.890 1.00 0.00 S ATOM 0 H CYS A 76 14.154 13.106 -18.435 1.00 0.00 H new ATOM 0 HA CYS A 76 15.189 15.563 -17.281 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.317 12.835 -15.982 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.281 14.410 -15.216 1.00 0.00 H new ATOM 0 HG CYS A 76 12.669 12.603 -16.428 1.00 0.00 H new ATOM 898 N GLY A 77 17.263 13.951 -18.850 1.00 0.00 N ATOM 899 CA GLY A 77 18.681 13.766 -19.209 1.00 0.00 C ATOM 900 C GLY A 77 19.563 15.011 -19.003 1.00 0.00 C ATOM 901 O GLY A 77 20.753 14.880 -18.716 1.00 0.00 O ATOM 0 H GLY A 77 16.625 13.788 -19.629 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.088 12.947 -18.616 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.741 13.464 -20.255 1.00 0.00 H new ATOM 905 N GLY A 78 18.973 16.211 -19.083 1.00 0.00 N ATOM 906 CA GLY A 78 19.620 17.498 -18.771 1.00 0.00 C ATOM 907 C GLY A 78 19.507 17.949 -17.303 1.00 0.00 C ATOM 908 O GLY A 78 19.930 19.058 -16.973 1.00 0.00 O ATOM 0 H GLY A 78 18.002 16.319 -19.376 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.676 17.429 -19.033 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.184 18.269 -19.406 1.00 0.00 H new ATOM 912 N ASP A 79 18.919 17.128 -16.427 1.00 0.00 N ATOM 913 CA ASP A 79 18.648 17.425 -15.012 1.00 0.00 C ATOM 914 C ASP A 79 19.549 16.615 -14.055 1.00 0.00 C ATOM 915 O ASP A 79 20.265 15.704 -14.468 1.00 0.00 O ATOM 916 CB ASP A 79 17.153 17.165 -14.756 1.00 0.00 C ATOM 917 CG ASP A 79 16.752 17.438 -13.304 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.971 18.577 -12.831 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.356 16.469 -12.620 1.00 0.00 O ATOM 0 H ASP A 79 18.604 16.196 -16.695 1.00 0.00 H new ATOM 0 HA ASP A 79 18.885 18.469 -14.807 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.559 17.795 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.919 16.130 -15.006 1.00 0.00 H new ATOM 924 N LEU A 80 19.484 16.908 -12.753 1.00 0.00 N ATOM 925 CA LEU A 80 20.089 16.130 -11.669 1.00 0.00 C ATOM 926 C LEU A 80 19.690 14.638 -11.700 1.00 0.00 C ATOM 927 O LEU A 80 20.514 13.785 -11.375 1.00 0.00 O ATOM 928 CB LEU A 80 19.681 16.769 -10.327 1.00 0.00 C ATOM 929 CG LEU A 80 20.539 17.977 -9.896 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.420 19.187 -10.825 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.120 18.426 -8.497 1.00 0.00 C ATOM 0 H LEU A 80 18.986 17.730 -12.411 1.00 0.00 H new ATOM 0 HA LEU A 80 21.171 16.153 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.640 17.086 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.733 16.008 -9.548 1.00 0.00 H new ATOM 0 HG LEU A 80 21.573 17.633 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.052 19.994 -10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.739 18.908 -11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.383 19.523 -10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.726 19.279 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.068 18.712 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.266 17.607 -7.793 1.00 0.00 H new ATOM 943 N LEU A 81 18.472 14.292 -12.140 1.00 0.00 N ATOM 944 CA LEU A 81 18.085 12.893 -12.390 1.00 0.00 C ATOM 945 C LEU A 81 18.970 12.250 -13.478 1.00 0.00 C ATOM 946 O LEU A 81 19.520 11.159 -13.296 1.00 0.00 O ATOM 947 CB LEU A 81 16.598 12.845 -12.792 1.00 0.00 C ATOM 948 CG LEU A 81 15.592 13.265 -11.703 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.174 13.294 -12.271 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.597 12.320 -10.502 1.00 0.00 C ATOM 0 H LEU A 81 17.731 14.967 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 81 18.232 12.317 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.455 13.490 -13.659 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.360 11.829 -13.107 1.00 0.00 H new ATOM 0 HG LEU A 81 15.901 14.256 -11.370 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.475 13.592 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.126 14.008 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.908 12.302 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.870 12.663 -9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.335 11.314 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.590 12.308 -10.053 1.00 0.00 H new ATOM 962 N GLY A 82 19.160 12.952 -14.596 1.00 0.00 N ATOM 963 CA GLY A 82 20.074 12.542 -15.657 1.00 0.00 C ATOM 964 C GLY A 82 21.536 12.500 -15.205 1.00 0.00 C ATOM 965 O GLY A 82 22.240 11.559 -15.553 1.00 0.00 O ATOM 0 H GLY A 82 18.678 13.830 -14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.783 11.556 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.979 13.230 -16.497 1.00 0.00 H new ATOM 969 N GLU A 83 22.003 13.435 -14.371 1.00 0.00 N ATOM 970 CA GLU A 83 23.399 13.427 -13.907 1.00 0.00 C ATOM 971 C GLU A 83 23.684 12.315 -12.876 1.00 0.00 C ATOM 972 O GLU A 83 24.796 11.779 -12.866 1.00 0.00 O ATOM 973 CB GLU A 83 23.849 14.838 -13.478 1.00 0.00 C ATOM 974 CG GLU A 83 23.742 15.188 -11.985 1.00 0.00 C ATOM 975 CD GLU A 83 25.026 14.854 -11.193 1.00 0.00 C ATOM 976 OE1 GLU A 83 26.091 15.461 -11.467 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.976 14.016 -10.261 1.00 0.00 O ATOM 0 H GLU A 83 21.441 14.203 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 83 24.032 13.159 -14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.888 14.968 -13.781 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.260 15.565 -14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.524 16.251 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.902 14.646 -11.550 1.00 0.00 H new ATOM 984 N LEU A 84 22.684 11.900 -12.077 1.00 0.00 N ATOM 985 CA LEU A 84 22.827 10.778 -11.136 1.00 0.00 C ATOM 986 C LEU A 84 22.678 9.399 -11.812 1.00 0.00 C ATOM 987 O LEU A 84 23.380 8.465 -11.418 1.00 0.00 O ATOM 988 CB LEU A 84 21.948 10.994 -9.876 1.00 0.00 C ATOM 989 CG LEU A 84 20.453 10.625 -9.967 1.00 0.00 C ATOM 990 CD1 LEU A 84 20.176 9.144 -9.689 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.633 11.407 -8.937 1.00 0.00 C ATOM 0 H LEU A 84 21.760 12.331 -12.066 1.00 0.00 H new ATOM 0 HA LEU A 84 23.856 10.767 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.385 10.418 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 84 22.017 12.045 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 84 20.169 10.868 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.106 8.953 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.710 8.531 -10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.515 8.893 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.582 11.129 -9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.991 11.174 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.741 12.476 -9.121 1.00 0.00 H new ATOM 1003 N LEU A 85 21.807 9.255 -12.829 1.00 0.00 N ATOM 1004 CA LEU A 85 21.555 7.967 -13.513 1.00 0.00 C ATOM 1005 C LEU A 85 22.286 7.836 -14.875 1.00 0.00 C ATOM 1006 O LEU A 85 22.226 6.796 -15.529 1.00 0.00 O ATOM 1007 CB LEU A 85 20.019 7.810 -13.639 1.00 0.00 C ATOM 1008 CG LEU A 85 19.385 6.419 -13.416 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.877 5.320 -14.346 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.566 5.936 -11.977 1.00 0.00 C ATOM 0 H LEU A 85 21.256 10.028 -13.202 1.00 0.00 H new ATOM 0 HA LEU A 85 21.972 7.152 -12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.559 8.498 -12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.735 8.144 -14.637 1.00 0.00 H new ATOM 0 HG LEU A 85 18.333 6.589 -13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.370 4.386 -14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.662 5.594 -15.379 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.952 5.192 -14.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.106 4.954 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.629 5.868 -11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.092 6.641 -11.294 1.00 0.00 H new ATOM 1022 N GLY A 86 22.921 8.902 -15.367 1.00 0.00 N ATOM 1023 CA GLY A 86 23.475 9.017 -16.728 1.00 0.00 C ATOM 1024 C GLY A 86 22.418 9.378 -17.789 1.00 0.00 C ATOM 1025 O GLY A 86 22.742 9.999 -18.804 1.00 0.00 O ATOM 0 H GLY A 86 23.072 9.744 -14.811 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.257 9.777 -16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.946 8.073 -17.002 1.00 0.00 H new ATOM 1029 N ARG A 87 21.151 9.010 -17.539 1.00 0.00 N ATOM 1030 CA ARG A 87 19.949 9.267 -18.358 1.00 0.00 C ATOM 1031 C ARG A 87 18.673 9.074 -17.528 1.00 0.00 C ATOM 1032 O ARG A 87 18.587 8.106 -16.784 1.00 0.00 O ATOM 1033 CB ARG A 87 19.943 8.341 -19.604 1.00 0.00 C ATOM 1034 CG ARG A 87 19.676 6.831 -19.395 1.00 0.00 C ATOM 1035 CD ARG A 87 20.575 6.164 -18.343 1.00 0.00 C ATOM 1036 NE ARG A 87 20.419 4.698 -18.317 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.175 3.840 -17.652 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.099 4.224 -16.816 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.009 2.559 -17.816 1.00 0.00 N ATOM 0 H ARG A 87 20.920 8.485 -16.696 1.00 0.00 H new ATOM 0 HA ARG A 87 19.974 10.303 -18.696 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.190 8.719 -20.295 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.909 8.442 -20.098 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.635 6.696 -19.102 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.809 6.316 -20.347 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.616 6.412 -18.549 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.340 6.569 -17.359 1.00 0.00 H new ATOM 0 HE ARG A 87 19.653 4.307 -18.866 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.260 5.218 -16.655 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.661 3.530 -16.323 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.295 2.215 -18.458 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.593 1.899 -17.302 1.00 0.00 H new ATOM 1053 N GLN A 88 17.680 9.953 -17.656 1.00 0.00 N ATOM 1054 CA GLN A 88 16.331 9.751 -17.090 1.00 0.00 C ATOM 1055 C GLN A 88 15.259 10.343 -18.021 1.00 0.00 C ATOM 1056 O GLN A 88 14.471 11.203 -17.632 1.00 0.00 O ATOM 1057 CB GLN A 88 16.209 10.232 -15.621 1.00 0.00 C ATOM 1058 CG GLN A 88 16.738 9.221 -14.575 1.00 0.00 C ATOM 1059 CD GLN A 88 15.877 9.037 -13.316 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.849 9.656 -13.096 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.257 8.148 -12.418 1.00 0.00 N ATOM 0 H GLN A 88 17.782 10.835 -18.158 1.00 0.00 H new ATOM 0 HA GLN A 88 16.153 8.677 -17.037 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.754 11.170 -15.511 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.162 10.445 -15.406 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.847 8.251 -15.060 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.734 9.537 -14.266 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.111 7.609 -12.564 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.697 8.000 -11.578 1.00 0.00 H new ATOM 1070 N SER A 89 15.245 9.896 -19.277 1.00 0.00 N ATOM 1071 CA SER A 89 14.129 10.185 -20.199 1.00 0.00 C ATOM 1072 C SER A 89 13.254 8.936 -20.306 1.00 0.00 C ATOM 1073 O SER A 89 13.751 7.827 -20.520 1.00 0.00 O ATOM 1074 CB SER A 89 14.569 10.691 -21.568 1.00 0.00 C ATOM 1075 OG SER A 89 15.551 11.714 -21.435 1.00 0.00 O ATOM 0 H SER A 89 15.990 9.332 -19.686 1.00 0.00 H new ATOM 0 HA SER A 89 13.555 11.012 -19.782 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.974 9.865 -22.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.707 11.076 -22.113 1.00 0.00 H new ATOM 0 HG SER A 89 15.822 12.025 -22.324 1.00 0.00 H new ATOM 1081 N PHE A 90 11.951 9.118 -20.115 1.00 0.00 N ATOM 1082 CA PHE A 90 10.973 8.035 -19.925 1.00 0.00 C ATOM 1083 C PHE A 90 9.534 8.494 -20.130 1.00 0.00 C ATOM 1084 O PHE A 90 9.252 9.684 -20.252 1.00 0.00 O ATOM 1085 CB PHE A 90 11.119 7.507 -18.478 1.00 0.00 C ATOM 1086 CG PHE A 90 10.779 8.542 -17.415 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.454 8.709 -16.972 1.00 0.00 C ATOM 1088 CD2 PHE A 90 11.786 9.378 -16.901 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.138 9.714 -16.042 1.00 0.00 C ATOM 1090 CE2 PHE A 90 11.482 10.350 -15.934 1.00 0.00 C ATOM 1091 CZ PHE A 90 10.155 10.527 -15.511 1.00 0.00 C ATOM 0 H PHE A 90 11.528 10.046 -20.086 1.00 0.00 H new ATOM 0 HA PHE A 90 11.178 7.265 -20.668 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.471 6.640 -18.349 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.143 7.165 -18.326 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.676 8.062 -17.349 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.802 9.272 -17.253 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.113 9.862 -15.735 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.268 10.961 -15.516 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.916 11.285 -14.780 1.00 0.00 H new ATOM 1101 N SER A 91 8.610 7.534 -20.099 1.00 0.00 N ATOM 1102 CA SER A 91 7.175 7.787 -20.119 1.00 0.00 C ATOM 1103 C SER A 91 6.457 7.247 -18.884 1.00 0.00 C ATOM 1104 O SER A 91 6.815 6.207 -18.330 1.00 0.00 O ATOM 1105 CB SER A 91 6.586 7.235 -21.411 1.00 0.00 C ATOM 1106 OG SER A 91 6.496 5.820 -21.378 1.00 0.00 O ATOM 0 H SER A 91 8.845 6.542 -20.059 1.00 0.00 H new ATOM 0 HA SER A 91 7.020 8.865 -20.088 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.595 7.660 -21.571 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.205 7.542 -22.254 1.00 0.00 H new ATOM 0 HG SER A 91 6.113 5.497 -22.220 1.00 0.00 H new ATOM 1112 N VAL A 92 5.413 7.958 -18.453 1.00 0.00 N ATOM 1113 CA VAL A 92 4.476 7.472 -17.422 1.00 0.00 C ATOM 1114 C VAL A 92 3.467 6.454 -17.979 1.00 0.00 C ATOM 1115 O VAL A 92 2.835 5.722 -17.216 1.00 0.00 O ATOM 1116 CB VAL A 92 3.779 8.627 -16.680 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.751 9.370 -15.763 1.00 0.00 C ATOM 1118 CG2 VAL A 92 3.180 9.659 -17.634 1.00 0.00 C ATOM 0 H VAL A 92 5.188 8.888 -18.805 1.00 0.00 H new ATOM 0 HA VAL A 92 5.079 6.941 -16.685 1.00 0.00 H new ATOM 0 HB VAL A 92 2.984 8.157 -16.101 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.226 10.179 -15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.154 8.678 -15.023 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.567 9.783 -16.356 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.701 10.451 -17.059 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.971 10.086 -18.251 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.441 9.177 -18.274 1.00 0.00 H new ATOM 1128 N LYS A 93 3.365 6.360 -19.314 1.00 0.00 N ATOM 1129 CA LYS A 93 2.632 5.327 -20.062 1.00 0.00 C ATOM 1130 C LYS A 93 3.230 3.921 -19.870 1.00 0.00 C ATOM 1131 O LYS A 93 2.506 2.927 -19.929 1.00 0.00 O ATOM 1132 CB LYS A 93 2.660 5.747 -21.543 1.00 0.00 C ATOM 1133 CG LYS A 93 1.662 4.971 -22.412 1.00 0.00 C ATOM 1134 CD LYS A 93 1.788 5.351 -23.897 1.00 0.00 C ATOM 1135 CE LYS A 93 3.064 4.806 -24.564 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.961 3.353 -24.885 1.00 0.00 N ATOM 0 H LYS A 93 3.814 7.036 -19.932 1.00 0.00 H new ATOM 0 HA LYS A 93 1.610 5.257 -19.691 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.443 6.813 -21.616 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.666 5.599 -21.937 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.832 3.901 -22.294 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.647 5.172 -22.069 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.918 4.976 -24.435 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.775 6.437 -23.988 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.259 5.365 -25.479 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.915 4.970 -23.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.844 3.033 -25.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.801 2.815 -24.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.166 3.197 -25.537 1.00 0.00 H new ATOM 1150 N ASP A 94 4.537 3.844 -19.614 1.00 0.00 N ATOM 1151 CA ASP A 94 5.301 2.622 -19.338 1.00 0.00 C ATOM 1152 C ASP A 94 5.899 2.682 -17.910 1.00 0.00 C ATOM 1153 O ASP A 94 7.078 3.006 -17.736 1.00 0.00 O ATOM 1154 CB ASP A 94 6.334 2.426 -20.461 1.00 0.00 C ATOM 1155 CG ASP A 94 6.971 1.023 -20.470 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.514 0.118 -19.730 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.910 0.803 -21.274 1.00 0.00 O ATOM 0 H ASP A 94 5.125 4.677 -19.592 1.00 0.00 H new ATOM 0 HA ASP A 94 4.663 1.738 -19.342 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.852 2.604 -21.422 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.121 3.173 -20.355 1.00 0.00 H new ATOM 1162 N PRO A 95 5.088 2.437 -16.859 1.00 0.00 N ATOM 1163 CA PRO A 95 5.473 2.673 -15.465 1.00 0.00 C ATOM 1164 C PRO A 95 6.543 1.716 -14.915 1.00 0.00 C ATOM 1165 O PRO A 95 7.259 2.100 -13.993 1.00 0.00 O ATOM 1166 CB PRO A 95 4.169 2.577 -14.662 1.00 0.00 C ATOM 1167 CG PRO A 95 3.298 1.650 -15.507 1.00 0.00 C ATOM 1168 CD PRO A 95 3.684 2.059 -16.925 1.00 0.00 C ATOM 0 HA PRO A 95 5.953 3.648 -15.384 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.340 2.169 -13.666 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.705 3.555 -14.531 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.512 0.599 -15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.236 1.800 -15.314 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.533 1.237 -17.624 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.071 2.890 -17.273 1.00 0.00 H new ATOM 1176 N SER A 96 6.699 0.502 -15.455 1.00 0.00 N ATOM 1177 CA SER A 96 7.674 -0.488 -14.955 1.00 0.00 C ATOM 1178 C SER A 96 9.140 -0.014 -15.014 1.00 0.00 C ATOM 1179 O SER A 96 9.800 -0.033 -13.971 1.00 0.00 O ATOM 1180 CB SER A 96 7.526 -1.836 -15.673 1.00 0.00 C ATOM 1181 OG SER A 96 6.217 -2.358 -15.480 1.00 0.00 O ATOM 0 H SER A 96 6.155 0.173 -16.252 1.00 0.00 H new ATOM 0 HA SER A 96 7.431 -0.612 -13.900 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.722 -1.712 -16.738 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.265 -2.541 -15.293 1.00 0.00 H new ATOM 0 HG SER A 96 6.136 -3.217 -15.945 1.00 0.00 H new ATOM 1187 N PRO A 97 9.679 0.462 -16.159 1.00 0.00 N ATOM 1188 CA PRO A 97 11.039 1.004 -16.213 1.00 0.00 C ATOM 1189 C PRO A 97 11.214 2.280 -15.370 1.00 0.00 C ATOM 1190 O PRO A 97 12.273 2.482 -14.776 1.00 0.00 O ATOM 1191 CB PRO A 97 11.331 1.256 -17.700 1.00 0.00 C ATOM 1192 CG PRO A 97 9.945 1.398 -18.328 1.00 0.00 C ATOM 1193 CD PRO A 97 9.120 0.417 -17.504 1.00 0.00 C ATOM 0 HA PRO A 97 11.747 0.298 -15.778 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.928 2.156 -17.843 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.888 0.430 -18.143 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.565 2.417 -18.250 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.949 1.139 -19.387 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.067 0.698 -17.500 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.179 -0.589 -17.919 1.00 0.00 H new ATOM 1201 N LEU A 98 10.175 3.116 -15.242 1.00 0.00 N ATOM 1202 CA LEU A 98 10.178 4.285 -14.363 1.00 0.00 C ATOM 1203 C LEU A 98 10.269 3.865 -12.885 1.00 0.00 C ATOM 1204 O LEU A 98 11.080 4.412 -12.142 1.00 0.00 O ATOM 1205 CB LEU A 98 8.940 5.131 -14.721 1.00 0.00 C ATOM 1206 CG LEU A 98 8.545 6.200 -13.693 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.642 7.234 -13.435 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.298 6.936 -14.180 1.00 0.00 C ATOM 0 H LEU A 98 9.301 2.995 -15.753 1.00 0.00 H new ATOM 0 HA LEU A 98 11.062 4.905 -14.513 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.122 5.622 -15.677 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.093 4.460 -14.864 1.00 0.00 H new ATOM 0 HG LEU A 98 8.364 5.673 -12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.294 7.958 -12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.533 6.733 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.882 7.749 -14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.016 7.696 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.507 7.412 -15.138 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.480 6.226 -14.299 1.00 0.00 H new ATOM 1220 N TYR A 99 9.521 2.844 -12.466 1.00 0.00 N ATOM 1221 CA TYR A 99 9.600 2.277 -11.118 1.00 0.00 C ATOM 1222 C TYR A 99 10.975 1.647 -10.831 1.00 0.00 C ATOM 1223 O TYR A 99 11.503 1.817 -9.735 1.00 0.00 O ATOM 1224 CB TYR A 99 8.452 1.275 -10.935 1.00 0.00 C ATOM 1225 CG TYR A 99 8.331 0.650 -9.554 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.300 1.461 -8.400 1.00 0.00 C ATOM 1227 CD2 TYR A 99 8.199 -0.748 -9.427 1.00 0.00 C ATOM 1228 CE1 TYR A 99 8.147 0.879 -7.126 1.00 0.00 C ATOM 1229 CE2 TYR A 99 8.038 -1.333 -8.156 1.00 0.00 C ATOM 1230 CZ TYR A 99 8.010 -0.521 -7.001 1.00 0.00 C ATOM 1231 OH TYR A 99 7.857 -1.097 -5.775 1.00 0.00 O ATOM 0 H TYR A 99 8.834 2.381 -13.061 1.00 0.00 H new ATOM 0 HA TYR A 99 9.492 3.079 -10.388 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.514 1.780 -11.168 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.574 0.475 -11.665 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.394 2.533 -8.494 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.221 -1.373 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.134 1.504 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.936 -2.404 -8.065 1.00 0.00 H new ATOM 0 HH TYR A 99 7.776 -2.068 -5.878 1.00 0.00 H new ATOM 1241 N ASP A 100 11.602 0.993 -11.813 1.00 0.00 N ATOM 1242 CA ASP A 100 12.967 0.452 -11.697 1.00 0.00 C ATOM 1243 C ASP A 100 14.022 1.549 -11.467 1.00 0.00 C ATOM 1244 O ASP A 100 14.832 1.455 -10.544 1.00 0.00 O ATOM 1245 CB ASP A 100 13.306 -0.344 -12.961 1.00 0.00 C ATOM 1246 CG ASP A 100 14.645 -1.083 -12.814 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.680 -2.155 -12.166 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.671 -0.594 -13.345 1.00 0.00 O ATOM 0 H ASP A 100 11.175 0.820 -12.723 1.00 0.00 H new ATOM 0 HA ASP A 100 12.990 -0.198 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.512 -1.063 -13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.352 0.330 -13.816 1.00 0.00 H new ATOM 1253 N MET A 101 13.971 2.624 -12.260 1.00 0.00 N ATOM 1254 CA MET A 101 14.798 3.823 -12.047 1.00 0.00 C ATOM 1255 C MET A 101 14.554 4.460 -10.671 1.00 0.00 C ATOM 1256 O MET A 101 15.500 4.804 -9.966 1.00 0.00 O ATOM 1257 CB MET A 101 14.453 4.898 -13.073 1.00 0.00 C ATOM 1258 CG MET A 101 14.907 4.680 -14.514 1.00 0.00 C ATOM 1259 SD MET A 101 14.808 6.215 -15.484 1.00 0.00 S ATOM 1260 CE MET A 101 13.173 6.863 -15.009 1.00 0.00 C ATOM 0 H MET A 101 13.355 2.690 -13.070 1.00 0.00 H new ATOM 0 HA MET A 101 15.832 3.490 -12.133 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.370 5.020 -13.078 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.879 5.840 -12.727 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.932 4.309 -14.521 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.287 3.914 -14.980 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.235 7.943 -14.872 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.451 6.638 -15.794 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.853 6.397 -14.077 1.00 0.00 H new ATOM 1270 N LEU A 102 13.287 4.630 -10.284 1.00 0.00 N ATOM 1271 CA LEU A 102 12.893 5.164 -8.980 1.00 0.00 C ATOM 1272 C LEU A 102 13.443 4.317 -7.828 1.00 0.00 C ATOM 1273 O LEU A 102 14.107 4.867 -6.959 1.00 0.00 O ATOM 1274 CB LEU A 102 11.364 5.331 -8.904 1.00 0.00 C ATOM 1275 CG LEU A 102 10.821 6.536 -9.701 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.300 6.439 -9.806 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.148 7.863 -9.016 1.00 0.00 C ATOM 0 H LEU A 102 12.493 4.396 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 102 13.338 6.153 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.891 4.421 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.073 5.439 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 102 11.292 6.510 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.919 7.291 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.029 5.515 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.865 6.441 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.749 8.686 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.700 7.880 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.229 7.970 -8.928 1.00 0.00 H new ATOM 1289 N ARG A 103 13.320 2.986 -7.865 1.00 0.00 N ATOM 1290 CA ARG A 103 13.947 2.076 -6.877 1.00 0.00 C ATOM 1291 C ARG A 103 15.467 2.276 -6.735 1.00 0.00 C ATOM 1292 O ARG A 103 16.025 1.996 -5.673 1.00 0.00 O ATOM 1293 CB ARG A 103 13.625 0.618 -7.254 1.00 0.00 C ATOM 1294 CG ARG A 103 12.213 0.210 -6.799 1.00 0.00 C ATOM 1295 CD ARG A 103 11.592 -0.866 -7.695 1.00 0.00 C ATOM 1296 NE ARG A 103 12.413 -2.090 -7.820 1.00 0.00 N ATOM 1297 CZ ARG A 103 12.386 -2.950 -8.825 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.613 -2.789 -9.863 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.140 -4.007 -8.796 1.00 0.00 N ATOM 0 H ARG A 103 12.782 2.499 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 103 13.524 2.318 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.709 0.494 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.360 -0.046 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.258 -0.158 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.569 1.089 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.614 -1.136 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.428 -0.448 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 103 13.062 -2.290 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.999 -1.976 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.622 -3.476 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.753 -4.174 -7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.119 -4.670 -9.571 1.00 0.00 H new ATOM 1313 N LYS A 104 16.122 2.797 -7.780 1.00 0.00 N ATOM 1314 CA LYS A 104 17.556 3.140 -7.828 1.00 0.00 C ATOM 1315 C LYS A 104 17.884 4.592 -7.425 1.00 0.00 C ATOM 1316 O LYS A 104 19.049 4.860 -7.129 1.00 0.00 O ATOM 1317 CB LYS A 104 18.106 2.780 -9.223 1.00 0.00 C ATOM 1318 CG LYS A 104 18.115 1.257 -9.443 1.00 0.00 C ATOM 1319 CD LYS A 104 18.326 0.884 -10.916 1.00 0.00 C ATOM 1320 CE LYS A 104 18.337 -0.644 -11.048 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.272 -1.078 -12.468 1.00 0.00 N ATOM 0 H LYS A 104 15.647 3.002 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 104 18.059 2.546 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.497 3.257 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.118 3.171 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.905 0.810 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.172 0.836 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.532 1.309 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.266 1.300 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.242 -1.042 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.491 -1.062 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.567 -2.073 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.297 -0.979 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.906 -0.486 -13.041 1.00 0.00 H new ATOM 1335 N ASN A 105 16.912 5.520 -7.366 1.00 0.00 N ATOM 1336 CA ASN A 105 17.149 6.931 -6.974 1.00 0.00 C ATOM 1337 C ASN A 105 16.431 7.368 -5.670 1.00 0.00 C ATOM 1338 O ASN A 105 16.891 8.269 -4.970 1.00 0.00 O ATOM 1339 CB ASN A 105 16.890 7.828 -8.206 1.00 0.00 C ATOM 1340 CG ASN A 105 15.447 8.174 -8.528 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.511 7.864 -7.821 1.00 0.00 O ATOM 1342 ND2 ASN A 105 15.230 8.876 -9.615 1.00 0.00 N ATOM 0 H ASN A 105 15.937 5.318 -7.588 1.00 0.00 H new ATOM 0 HA ASN A 105 18.193 7.049 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.436 8.761 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.321 7.335 -9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.280 9.157 -9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.011 9.141 -10.215 1.00 0.00 H new ATOM 1349 N LEU A 106 15.356 6.679 -5.296 1.00 0.00 N ATOM 1350 CA LEU A 106 14.632 6.745 -4.031 1.00 0.00 C ATOM 1351 C LEU A 106 14.848 5.387 -3.345 1.00 0.00 C ATOM 1352 O LEU A 106 14.181 4.398 -3.652 1.00 0.00 O ATOM 1353 CB LEU A 106 13.156 7.086 -4.336 1.00 0.00 C ATOM 1354 CG LEU A 106 12.171 6.960 -3.157 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.557 7.816 -1.951 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.777 7.394 -3.614 1.00 0.00 C ATOM 0 H LEU A 106 14.932 6.000 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 106 14.982 7.523 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.111 8.108 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.813 6.435 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 106 12.193 5.915 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.822 7.680 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.540 7.514 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.585 8.866 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.078 7.306 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.811 8.430 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.448 6.756 -4.434 1.00 0.00 H new ATOM 1368 N VAL A 107 15.843 5.341 -2.452 1.00 0.00 N ATOM 1369 CA VAL A 107 16.343 4.089 -1.850 1.00 0.00 C ATOM 1370 C VAL A 107 15.231 3.395 -1.054 1.00 0.00 C ATOM 1371 O VAL A 107 14.567 4.023 -0.231 1.00 0.00 O ATOM 1372 CB VAL A 107 17.584 4.341 -0.966 1.00 0.00 C ATOM 1373 CG1 VAL A 107 18.161 3.031 -0.412 1.00 0.00 C ATOM 1374 CG2 VAL A 107 18.705 5.036 -1.756 1.00 0.00 C ATOM 0 H VAL A 107 16.330 6.174 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 107 16.651 3.427 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 107 17.244 4.977 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 107 19.033 3.249 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.406 2.528 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 107 18.454 2.384 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 107 19.563 5.198 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 107 19.001 4.408 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 107 18.346 5.995 -2.129 1.00 0.00 H new ATOM 1384 N THR A 108 15.024 2.101 -1.309 1.00 0.00 N ATOM 1385 CA THR A 108 14.009 1.262 -0.648 1.00 0.00 C ATOM 1386 C THR A 108 14.409 -0.222 -0.702 1.00 0.00 C ATOM 1387 O THR A 108 15.570 -0.567 -0.945 1.00 0.00 O ATOM 1388 CB THR A 108 12.618 1.527 -1.284 1.00 0.00 C ATOM 1389 OG1 THR A 108 11.614 1.127 -0.370 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.330 0.809 -2.611 1.00 0.00 C ATOM 0 H THR A 108 15.571 1.589 -2.000 1.00 0.00 H new ATOM 0 HA THR A 108 13.947 1.528 0.407 1.00 0.00 H new ATOM 0 HB THR A 108 12.619 2.594 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.731 1.292 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.330 1.071 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.064 1.115 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.391 -0.269 -2.462 1.00 0.00 H new ATOM 1398 N LEU A 109 13.436 -1.093 -0.441 1.00 0.00 N ATOM 1399 CA LEU A 109 13.457 -2.540 -0.657 1.00 0.00 C ATOM 1400 C LEU A 109 13.538 -2.826 -2.185 1.00 0.00 C ATOM 1401 O LEU A 109 13.892 -1.956 -2.983 1.00 0.00 O ATOM 1402 CB LEU A 109 12.157 -3.083 -0.021 1.00 0.00 C ATOM 1403 CG LEU A 109 12.121 -3.175 1.520 1.00 0.00 C ATOM 1404 CD1 LEU A 109 12.426 -1.885 2.288 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.707 -3.601 1.903 1.00 0.00 C ATOM 0 H LEU A 109 12.548 -0.785 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 109 14.320 -3.028 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.331 -2.449 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.971 -4.078 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 109 12.911 -3.873 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.370 -2.077 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 109 13.428 -1.538 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.698 -1.120 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.632 -3.680 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.994 -2.860 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.484 -4.568 1.452 1.00 0.00 H new ATOM 1417 N ALA A 110 13.176 -4.032 -2.630 1.00 0.00 N ATOM 1418 CA ALA A 110 12.996 -4.372 -4.050 1.00 0.00 C ATOM 1419 C ALA A 110 14.251 -4.258 -4.952 1.00 0.00 C ATOM 1420 O ALA A 110 14.136 -4.174 -6.177 1.00 0.00 O ATOM 1421 CB ALA A 110 11.766 -3.627 -4.596 1.00 0.00 C ATOM 0 H ALA A 110 12.996 -4.817 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 110 12.816 -5.446 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.628 -3.875 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.881 -3.925 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.916 -2.552 -4.494 1.00 0.00 H new ATOM 1427 N THR A 111 15.450 -4.234 -4.365 1.00 0.00 N ATOM 1428 CA THR A 111 16.752 -4.236 -5.064 1.00 0.00 C ATOM 1429 C THR A 111 17.912 -4.569 -4.115 1.00 0.00 C ATOM 1430 O THR A 111 17.748 -4.628 -2.886 1.00 0.00 O ATOM 1431 CB THR A 111 17.026 -2.895 -5.779 1.00 0.00 C ATOM 1432 OG1 THR A 111 18.336 -2.877 -6.316 1.00 0.00 O ATOM 1433 CG2 THR A 111 16.873 -1.658 -4.891 1.00 0.00 C ATOM 0 H THR A 111 15.552 -4.212 -3.350 1.00 0.00 H new ATOM 0 HA THR A 111 16.690 -5.020 -5.818 1.00 0.00 H new ATOM 0 HB THR A 111 16.266 -2.839 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 111 18.493 -2.021 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.084 -0.762 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 111 15.854 -1.609 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.572 -1.720 -4.057 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 2.780 10.336 -12.636 1.00 0.00 N HETATM 1443 C1 44Z A 200 0.967 16.618 -11.634 1.00 0.00 C HETATM 1444 O1 44Z A 200 0.860 17.829 -11.614 1.00 0.00 O HETATM 1445 N1 44Z A 200 -0.077 15.889 -11.210 1.00 0.00 N HETATM 1446 C2 44Z A 200 -0.109 14.422 -11.191 1.00 0.00 C HETATM 1447 C3 44Z A 200 0.907 13.794 -12.162 1.00 0.00 C HETATM 1448 N2 44Z A 200 2.251 14.402 -12.033 1.00 0.00 N HETATM 1449 C4 44Z A 200 2.237 15.896 -12.086 1.00 0.00 C HETATM 1450 C5 44Z A 200 3.407 13.726 -11.778 1.00 0.00 C HETATM 1451 O5 44Z A 200 4.321 14.292 -11.208 1.00 0.00 O HETATM 1452 N3 44Z A 200 3.512 12.417 -12.100 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.845 11.559 -13.015 1.00 0.00 C HETATM 1454 C7 44Z A 200 3.485 10.169 -11.331 1.00 0.00 C HETATM 1455 C8 44Z A 200 4.237 11.525 -11.193 1.00 0.00 C HETATM 1456 CG1 44Z A 200 5.743 11.484 -11.444 1.00 0.00 C HETATM 1457 CD1 44Z A 200 6.318 10.904 -12.580 1.00 0.00 C HETATM 1458 CE1 44Z A 200 7.701 10.734 -12.644 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 8.514 11.137 -11.586 1.00 0.00 C HETATM 1460 CL 44Z A 200 10.220 10.856 -11.644 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 7.947 11.756 -10.476 1.00 0.00 C HETATM 1462 CD2 44Z A 200 6.574 11.977 -10.441 1.00 0.00 C HETATM 1463 CG2 44Z A 200 4.283 8.866 -11.118 1.00 0.00 C HETATM 1464 CD3 44Z A 200 4.220 7.817 -12.046 1.00 0.00 C HETATM 1465 CE3 44Z A 200 4.824 6.586 -11.779 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 5.492 6.381 -10.573 1.00 0.00 C HETATM 1467 CE4 44Z A 200 5.563 7.412 -9.642 1.00 0.00 C HETATM 1468 O4 44Z A 200 6.171 7.233 -8.416 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.979 8.643 -9.920 1.00 0.00 C HETATM 1470 CG3 44Z A 200 2.265 12.014 -14.320 1.00 0.00 C HETATM 1471 CD5 44Z A 200 1.213 11.271 -14.869 1.00 0.00 C HETATM 1472 CE5 44Z A 200 0.622 11.643 -16.075 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 1.094 12.753 -16.776 1.00 0.00 C HETATM 1474 CE6 44Z A 200 2.146 13.490 -16.252 1.00 0.00 C HETATM 1475 CD6 44Z A 200 2.738 13.126 -15.040 1.00 0.00 C HETATM 1476 O6 44Z A 200 3.832 13.824 -14.580 1.00 0.00 O HETATM 1477 C9 44Z A 200 4.868 14.354 -15.429 1.00 0.00 C HETATM 1478 CM2 44Z A 200 4.670 15.877 -15.561 1.00 0.00 C HETATM 1479 CM3 44Z A 200 6.199 14.023 -14.735 1.00 0.00 C HETATM 1480 O3 44Z A 200 0.585 13.142 -18.000 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.335 12.328 -18.768 1.00 0.00 C HETATM 1482 CM4 44Z A 200 6.230 5.933 -7.782 1.00 0.00 C