USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 CYS SG : rot -46:sc= -0.396 USER MOD Set 1.2: A 64 GLN : amide:sc= 1.14 K(o=0.74,f=-1.1) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.307 X(o=-5.8,f=-5.7) USER MOD Set 2.2: A 39 CYS SG : rot 132:sc= -6.06! USER MOD Set 3.1: A 33 HIS :FLIP no HD1:sc= -2.93 F(o=-9.5!,f=-8.3) USER MOD Set 3.2: A 91 GLN :FLIP amide:sc= -5.23! C(o=-13!,f=-8.3!) USER MOD Set 3.3: A 92 GLN : amide:sc= -0.119 K(o=-8.3,f=-9.3) USER MOD Set 4.1: A 24 LYS NZ :NH3+ -173:sc= 0.643 (180deg=-0.0975) USER MOD Set 4.2: A 25 SER OG : rot -110:sc= -0.343 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 51:sc= 1.24 USER MOD Single : A 17 HIS : no HE2:sc= 0.641 K(o=0.64,f=-6!) USER MOD Single : A 19 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-8.1!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.174 F(o=-3.1!,f=-0.17) USER MOD Single : A 26 ASN : amide:sc= -4.36! C(o=-4.4!,f=-5.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 38 GLN : amide:sc= -3.49! C(o=-3.5!,f=-7.4!) USER MOD Single : A 43 ASN :FLIP amide:sc= -4.41! C(o=-7.4!,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.921) USER MOD Single : A 47 ASN : amide:sc= -3.26! C(o=-3.3!,f=-5.9!) USER MOD Single : A 49 TYR OH : rot 107:sc= 0.744 USER MOD Single : A 51 SER OG : rot 180:sc= 0.46 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 12:sc= 0.373 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= -3.49! (180deg=-4.25!) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.936 (180deg=-1.21) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.21) USER MOD Single : A 83 SER OG : rot -75:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 150:sc= -3.52! USER MOD Single : A 97 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 110 SER OG : rot -3:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -24.713 6.626 6.708 1.00 9.03 N ATOM 2 CA GLY A 12 -23.530 6.077 6.005 1.00 8.58 C ATOM 3 C GLY A 12 -22.477 7.135 5.788 1.00 7.72 C ATOM 4 O GLY A 12 -22.774 8.330 5.841 1.00 7.84 O ATOM 0 HA2 GLY A 12 -23.109 5.256 6.586 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -23.836 5.664 5.044 1.00 8.58 H new ATOM 10 N ALA A 13 -21.247 6.712 5.548 1.00 7.10 N ATOM 11 CA ALA A 13 -20.157 7.652 5.365 1.00 6.53 C ATOM 12 C ALA A 13 -19.043 7.070 4.505 1.00 5.64 C ATOM 13 O ALA A 13 -19.010 7.302 3.295 1.00 5.46 O ATOM 14 CB ALA A 13 -19.606 8.104 6.712 1.00 6.80 C ATOM 0 H ALA A 13 -20.981 5.730 5.476 1.00 7.10 H new ATOM 0 HA ALA A 13 -20.560 8.518 4.839 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -18.790 8.808 6.553 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -20.397 8.588 7.285 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -19.237 7.239 7.263 1.00 6.80 H new ATOM 20 N MET A 14 -18.165 6.281 5.133 1.00 5.41 N ATOM 21 CA MET A 14 -16.889 5.876 4.531 1.00 4.79 C ATOM 22 C MET A 14 -16.037 7.105 4.245 1.00 3.99 C ATOM 23 O MET A 14 -16.400 7.961 3.435 1.00 4.17 O ATOM 24 CB MET A 14 -17.070 5.080 3.232 1.00 5.31 C ATOM 25 CG MET A 14 -17.691 3.706 3.411 1.00 5.50 C ATOM 26 SD MET A 14 -16.923 2.757 4.733 1.00 6.58 S ATOM 27 CE MET A 14 -17.911 1.265 4.687 1.00 7.20 C ATOM 0 H MET A 14 -18.317 5.906 6.069 1.00 5.41 H new ATOM 0 HA MET A 14 -16.395 5.224 5.252 1.00 4.79 H new ATOM 0 HB2 MET A 14 -17.693 5.659 2.551 1.00 5.31 H new ATOM 0 HB3 MET A 14 -16.097 4.965 2.754 1.00 5.31 H new ATOM 0 HG2 MET A 14 -18.755 3.818 3.622 1.00 5.50 H new ATOM 0 HG3 MET A 14 -17.608 3.151 2.477 1.00 5.50 H new ATOM 0 HE1 MET A 14 -17.559 0.572 5.451 1.00 7.20 H new ATOM 0 HE2 MET A 14 -18.955 1.514 4.877 1.00 7.20 H new ATOM 0 HE3 MET A 14 -17.822 0.800 3.705 1.00 7.20 H new ATOM 37 N GLU A 15 -14.900 7.193 4.927 1.00 3.65 N ATOM 38 CA GLU A 15 -13.989 8.322 4.761 1.00 3.40 C ATOM 39 C GLU A 15 -13.606 8.491 3.292 1.00 2.63 C ATOM 40 O GLU A 15 -13.458 9.615 2.818 1.00 2.90 O ATOM 41 CB GLU A 15 -12.736 8.162 5.645 1.00 4.21 C ATOM 42 CG GLU A 15 -11.799 7.021 5.254 1.00 5.16 C ATOM 43 CD GLU A 15 -12.472 5.665 5.266 1.00 5.80 C ATOM 44 OE1 GLU A 15 -12.792 5.158 6.361 1.00 6.21 O ATOM 45 OE2 GLU A 15 -12.712 5.114 4.171 1.00 6.20 O ATOM 0 H GLU A 15 -14.586 6.495 5.601 1.00 3.65 H new ATOM 0 HA GLU A 15 -14.507 9.225 5.085 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -12.174 9.095 5.621 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -13.056 8.009 6.676 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -11.400 7.212 4.258 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -10.951 7.005 5.939 1.00 5.16 H new ATOM 52 N SER A 16 -13.465 7.357 2.598 1.00 2.29 N ATOM 53 CA SER A 16 -13.235 7.312 1.150 1.00 2.23 C ATOM 54 C SER A 16 -13.047 5.872 0.685 1.00 1.84 C ATOM 55 O SER A 16 -13.522 5.501 -0.390 1.00 2.63 O ATOM 56 CB SER A 16 -12.007 8.133 0.735 1.00 3.27 C ATOM 57 OG SER A 16 -12.336 9.498 0.538 1.00 4.00 O ATOM 0 H SER A 16 -13.508 6.434 3.031 1.00 2.29 H new ATOM 0 HA SER A 16 -14.116 7.747 0.677 1.00 2.23 H new ATOM 0 HB2 SER A 16 -11.237 8.050 1.502 1.00 3.27 H new ATOM 0 HB3 SER A 16 -11.587 7.723 -0.184 1.00 3.27 H new ATOM 0 HG SER A 16 -12.830 9.831 1.316 1.00 4.00 H new ATOM 63 N HIS A 17 -12.384 5.059 1.515 1.00 1.21 N ATOM 64 CA HIS A 17 -11.946 3.722 1.106 1.00 1.12 C ATOM 65 C HIS A 17 -11.205 3.801 -0.233 1.00 0.95 C ATOM 66 O HIS A 17 -11.602 3.171 -1.211 1.00 1.29 O ATOM 67 CB HIS A 17 -13.135 2.755 1.016 1.00 1.94 C ATOM 68 CG HIS A 17 -13.463 2.069 2.311 1.00 2.42 C ATOM 69 ND1 HIS A 17 -13.416 2.698 3.538 1.00 3.33 N ATOM 70 CD2 HIS A 17 -13.830 0.790 2.567 1.00 2.69 C ATOM 71 CE1 HIS A 17 -13.735 1.838 4.485 1.00 3.81 C ATOM 72 NE2 HIS A 17 -13.993 0.675 3.923 1.00 3.44 N ATOM 0 H HIS A 17 -12.139 5.305 2.474 1.00 1.21 H new ATOM 0 HA HIS A 17 -11.263 3.335 1.862 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -14.012 3.305 0.675 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -12.919 1.999 0.261 1.00 1.94 H new ATOM 0 HD1 HIS A 17 -13.172 3.677 3.689 1.00 3.33 H new ATOM 0 HD2 HIS A 17 -13.969 0.006 1.837 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -13.778 2.051 5.543 1.00 3.81 H new ATOM 81 N PRO A 18 -10.114 4.592 -0.291 1.00 0.69 N ATOM 82 CA PRO A 18 -9.444 4.930 -1.533 1.00 0.74 C ATOM 83 C PRO A 18 -8.192 4.098 -1.840 1.00 0.62 C ATOM 84 O PRO A 18 -8.266 3.074 -2.522 1.00 0.57 O ATOM 85 CB PRO A 18 -9.068 6.392 -1.285 1.00 0.95 C ATOM 86 CG PRO A 18 -8.942 6.537 0.210 1.00 1.15 C ATOM 87 CD PRO A 18 -9.455 5.258 0.835 1.00 0.84 C ATOM 0 HA PRO A 18 -10.079 4.739 -2.398 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -8.132 6.644 -1.782 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -9.830 7.064 -1.680 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -7.904 6.712 0.492 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -9.517 7.393 0.562 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -8.645 4.654 1.245 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -10.150 5.456 1.651 1.00 0.84 H new ATOM 95 N HIS A 19 -7.051 4.534 -1.312 1.00 0.68 N ATOM 96 CA HIS A 19 -5.755 3.995 -1.716 1.00 0.70 C ATOM 97 C HIS A 19 -5.540 2.613 -1.122 1.00 0.61 C ATOM 98 O HIS A 19 -4.976 1.729 -1.766 1.00 0.63 O ATOM 99 CB HIS A 19 -4.615 4.928 -1.286 1.00 0.95 C ATOM 100 CG HIS A 19 -4.698 6.321 -1.840 1.00 0.54 C ATOM 101 ND1 HIS A 19 -3.651 6.934 -2.483 1.00 1.09 N ATOM 102 CD2 HIS A 19 -5.702 7.228 -1.823 1.00 1.06 C ATOM 103 CE1 HIS A 19 -4.002 8.152 -2.840 1.00 1.26 C ATOM 104 NE2 HIS A 19 -5.245 8.356 -2.452 1.00 1.23 N ATOM 0 H HIS A 19 -6.998 5.263 -0.600 1.00 0.68 H new ATOM 0 HA HIS A 19 -5.752 3.918 -2.803 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.602 4.985 -0.198 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.667 4.486 -1.593 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -2.740 6.510 -2.658 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -6.683 7.088 -1.393 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -3.378 8.862 -3.362 1.00 1.26 H new ATOM 113 N ILE A 20 -6.016 2.432 0.104 1.00 0.60 N ATOM 114 CA ILE A 20 -5.899 1.155 0.795 1.00 0.61 C ATOM 115 C ILE A 20 -6.533 0.034 -0.020 1.00 0.55 C ATOM 116 O ILE A 20 -5.965 -1.050 -0.157 1.00 0.62 O ATOM 117 CB ILE A 20 -6.562 1.209 2.193 1.00 0.65 C ATOM 118 CG1 ILE A 20 -7.941 1.876 2.126 1.00 0.93 C ATOM 119 CG2 ILE A 20 -5.670 1.942 3.178 1.00 1.21 C ATOM 120 CD1 ILE A 20 -8.560 2.110 3.487 1.00 0.90 C ATOM 0 H ILE A 20 -6.489 3.158 0.642 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.835 0.952 0.917 1.00 0.61 H new ATOM 0 HB ILE A 20 -6.697 0.184 2.538 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -7.850 2.830 1.607 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -8.610 1.253 1.533 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -6.153 1.970 4.155 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -4.715 1.423 3.260 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -5.501 2.960 2.828 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -9.534 2.585 3.367 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -8.682 1.156 4.000 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -7.911 2.758 4.075 1.00 0.90 H new ATOM 132 N GLN A 21 -7.704 0.308 -0.572 1.00 0.49 N ATOM 133 CA GLN A 21 -8.410 -0.662 -1.393 1.00 0.50 C ATOM 134 C GLN A 21 -7.649 -0.917 -2.691 1.00 0.50 C ATOM 135 O GLN A 21 -7.452 -2.063 -3.096 1.00 0.57 O ATOM 136 CB GLN A 21 -9.821 -0.164 -1.714 1.00 0.56 C ATOM 137 CG GLN A 21 -10.590 0.355 -0.508 1.00 0.93 C ATOM 138 CD GLN A 21 -10.834 -0.695 0.560 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.939 -0.781 1.532 1.00 1.72 O flip ATOM 140 NE2 GLN A 21 -11.833 -1.411 0.519 1.00 0.82 N flip ATOM 0 H GLN A 21 -8.188 1.200 -0.465 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.480 -1.595 -0.833 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.753 0.631 -2.457 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -10.386 -0.978 -2.168 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -10.039 1.187 -0.068 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -11.549 0.749 -0.843 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -12.499 -1.314 -0.247 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -11.995 -2.102 1.251 1.00 0.82 H new ATOM 149 N LEU A 22 -7.213 0.171 -3.323 1.00 0.51 N ATOM 150 CA LEU A 22 -6.610 0.131 -4.645 1.00 0.54 C ATOM 151 C LEU A 22 -5.323 -0.699 -4.693 1.00 0.50 C ATOM 152 O LEU A 22 -5.186 -1.586 -5.534 1.00 0.49 O ATOM 153 CB LEU A 22 -6.338 1.573 -5.107 1.00 0.65 C ATOM 154 CG LEU A 22 -4.866 1.979 -5.255 1.00 1.06 C ATOM 155 CD1 LEU A 22 -4.380 1.736 -6.673 1.00 0.75 C ATOM 156 CD2 LEU A 22 -4.663 3.432 -4.861 1.00 1.93 C ATOM 0 H LEU A 22 -7.271 1.109 -2.926 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.311 -0.362 -5.318 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -6.831 1.722 -6.068 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -6.810 2.253 -4.398 1.00 0.65 H new ATOM 0 HG LEU A 22 -4.276 1.358 -4.581 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.334 2.031 -6.755 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -4.479 0.678 -6.915 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -4.978 2.325 -7.369 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -3.612 3.696 -4.974 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -5.269 4.071 -5.503 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -4.963 3.573 -3.822 1.00 1.93 H new ATOM 168 N LEU A 23 -4.408 -0.436 -3.767 1.00 0.51 N ATOM 169 CA LEU A 23 -3.030 -0.910 -3.890 1.00 0.51 C ATOM 170 C LEU A 23 -2.927 -2.426 -3.952 1.00 0.46 C ATOM 171 O LEU A 23 -2.072 -2.962 -4.652 1.00 0.48 O ATOM 172 CB LEU A 23 -2.168 -0.355 -2.758 1.00 0.61 C ATOM 173 CG LEU A 23 -1.962 1.161 -2.807 1.00 0.73 C ATOM 174 CD1 LEU A 23 -1.063 1.618 -1.674 1.00 1.47 C ATOM 175 CD2 LEU A 23 -1.372 1.576 -4.148 1.00 1.03 C ATOM 0 H LEU A 23 -4.593 0.103 -2.921 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.654 -0.535 -4.842 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -2.628 -0.617 -1.805 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.194 -0.843 -2.786 1.00 0.61 H new ATOM 0 HG LEU A 23 -2.934 1.640 -2.690 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -0.930 2.699 -1.728 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -1.519 1.356 -0.719 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -0.093 1.128 -1.759 1.00 1.47 H new ATOM 0 HD21 LEU A 23 -1.232 2.657 -4.165 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -0.410 1.083 -4.290 1.00 1.03 H new ATOM 0 HD23 LEU A 23 -2.051 1.285 -4.950 1.00 1.03 H new ATOM 187 N LYS A 24 -3.790 -3.118 -3.230 1.00 0.45 N ATOM 188 CA LYS A 24 -3.767 -4.575 -3.236 1.00 0.46 C ATOM 189 C LYS A 24 -4.149 -5.136 -4.605 1.00 0.44 C ATOM 190 O LYS A 24 -3.658 -6.179 -5.009 1.00 0.49 O ATOM 191 CB LYS A 24 -4.673 -5.160 -2.155 1.00 0.51 C ATOM 192 CG LYS A 24 -6.141 -4.791 -2.293 1.00 0.53 C ATOM 193 CD LYS A 24 -7.042 -5.979 -2.005 1.00 1.12 C ATOM 194 CE LYS A 24 -7.085 -6.942 -3.177 1.00 1.24 C ATOM 195 NZ LYS A 24 -7.875 -6.402 -4.316 1.00 1.92 N ATOM 0 H LYS A 24 -4.509 -2.703 -2.637 1.00 0.45 H new ATOM 0 HA LYS A 24 -2.742 -4.873 -3.017 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.582 -6.246 -2.171 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.318 -4.825 -1.181 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.379 -3.978 -1.607 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.332 -4.424 -3.301 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -6.685 -6.501 -1.117 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -8.050 -5.627 -1.785 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -6.069 -7.154 -3.509 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -7.518 -7.888 -2.852 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -7.978 -7.136 -5.046 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -8.816 -6.113 -3.980 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -7.384 -5.579 -4.720 1.00 1.92 H new ATOM 209 N SER A 25 -5.034 -4.455 -5.313 1.00 0.43 N ATOM 210 CA SER A 25 -5.505 -4.937 -6.607 1.00 0.50 C ATOM 211 C SER A 25 -4.403 -4.851 -7.665 1.00 0.52 C ATOM 212 O SER A 25 -4.502 -5.452 -8.736 1.00 0.74 O ATOM 213 CB SER A 25 -6.733 -4.139 -7.024 1.00 0.55 C ATOM 214 OG SER A 25 -7.695 -4.133 -5.980 1.00 1.00 O ATOM 0 H SER A 25 -5.442 -3.568 -5.017 1.00 0.43 H new ATOM 0 HA SER A 25 -5.778 -5.988 -6.516 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.445 -3.116 -7.268 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.167 -4.572 -7.925 1.00 0.55 H new ATOM 0 HG SER A 25 -8.468 -4.675 -6.244 1.00 1.00 H new ATOM 220 N ASN A 26 -3.358 -4.099 -7.353 1.00 0.41 N ATOM 221 CA ASN A 26 -2.178 -4.022 -8.202 1.00 0.47 C ATOM 222 C ASN A 26 -0.926 -4.299 -7.375 1.00 0.45 C ATOM 223 O ASN A 26 0.145 -3.742 -7.625 1.00 0.46 O ATOM 224 CB ASN A 26 -2.083 -2.652 -8.886 1.00 0.55 C ATOM 225 CG ASN A 26 -2.464 -1.506 -7.968 1.00 0.65 C ATOM 226 OD1 ASN A 26 -3.615 -1.075 -7.944 1.00 1.50 O ATOM 227 ND2 ASN A 26 -1.508 -1.012 -7.197 1.00 0.74 N ATOM 0 H ASN A 26 -3.304 -3.528 -6.509 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.261 -4.778 -8.982 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -1.065 -2.500 -9.245 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -2.734 -2.642 -9.760 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -1.715 -0.247 -6.555 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -0.564 -1.396 -7.245 1.00 0.74 H new ATOM 234 N ARG A 27 -1.081 -5.182 -6.394 1.00 0.46 N ATOM 235 CA ARG A 27 0.002 -5.541 -5.482 1.00 0.50 C ATOM 236 C ARG A 27 1.122 -6.256 -6.225 1.00 0.48 C ATOM 237 O ARG A 27 2.299 -5.942 -6.061 1.00 0.54 O ATOM 238 CB ARG A 27 -0.534 -6.436 -4.356 1.00 0.57 C ATOM 239 CG ARG A 27 -1.162 -7.742 -4.832 1.00 1.30 C ATOM 240 CD ARG A 27 -1.994 -8.399 -3.743 1.00 2.15 C ATOM 241 NE ARG A 27 -2.541 -9.686 -4.172 1.00 3.26 N ATOM 242 CZ ARG A 27 -3.667 -9.825 -4.876 1.00 4.21 C ATOM 243 NH1 ARG A 27 -4.327 -8.756 -5.303 1.00 4.46 N ATOM 244 NH2 ARG A 27 -4.126 -11.033 -5.166 1.00 5.24 N ATOM 0 H ARG A 27 -1.958 -5.668 -6.208 1.00 0.46 H new ATOM 0 HA ARG A 27 0.405 -4.624 -5.052 1.00 0.50 H new ATOM 0 HB2 ARG A 27 0.283 -6.668 -3.673 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -1.276 -5.877 -3.786 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -1.790 -7.547 -5.701 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -0.377 -8.427 -5.153 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -1.379 -8.545 -2.855 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -2.810 -7.734 -3.460 1.00 2.15 H new ATOM 0 HE ARG A 27 -2.030 -10.531 -3.917 1.00 3.26 H new ATOM 0 HH11 ARG A 27 -3.975 -7.822 -5.094 1.00 4.46 H new ATOM 0 HH12 ARG A 27 -5.187 -8.868 -5.840 1.00 4.46 H new ATOM 0 HH21 ARG A 27 -3.619 -11.860 -4.851 1.00 5.24 H new ATOM 0 HH22 ARG A 27 -4.986 -11.136 -5.704 1.00 5.24 H new ATOM 258 N GLU A 28 0.730 -7.216 -7.042 1.00 0.51 N ATOM 259 CA GLU A 28 1.652 -8.010 -7.841 1.00 0.59 C ATOM 260 C GLU A 28 2.418 -7.132 -8.831 1.00 0.55 C ATOM 261 O GLU A 28 3.573 -7.403 -9.162 1.00 0.60 O ATOM 262 CB GLU A 28 0.894 -9.146 -8.560 1.00 0.74 C ATOM 263 CG GLU A 28 -0.094 -8.704 -9.645 1.00 1.08 C ATOM 264 CD GLU A 28 -1.027 -7.590 -9.214 1.00 1.55 C ATOM 265 OE1 GLU A 28 -1.728 -7.755 -8.195 1.00 2.17 O ATOM 266 OE2 GLU A 28 -1.046 -6.541 -9.892 1.00 1.93 O ATOM 0 H GLU A 28 -0.249 -7.471 -7.173 1.00 0.51 H new ATOM 0 HA GLU A 28 2.387 -8.462 -7.175 1.00 0.59 H new ATOM 0 HB2 GLU A 28 1.625 -9.816 -9.012 1.00 0.74 H new ATOM 0 HB3 GLU A 28 0.350 -9.724 -7.813 1.00 0.74 H new ATOM 0 HG2 GLU A 28 0.467 -8.376 -10.520 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.689 -9.564 -9.952 1.00 1.08 H new ATOM 273 N LEU A 29 1.764 -6.083 -9.306 1.00 0.51 N ATOM 274 CA LEU A 29 2.405 -5.111 -10.172 1.00 0.52 C ATOM 275 C LEU A 29 3.434 -4.294 -9.390 1.00 0.49 C ATOM 276 O LEU A 29 4.578 -4.142 -9.815 1.00 0.50 O ATOM 277 CB LEU A 29 1.352 -4.187 -10.790 1.00 0.54 C ATOM 278 CG LEU A 29 1.883 -3.155 -11.787 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.551 -3.843 -12.967 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.754 -2.254 -12.263 1.00 0.57 C ATOM 0 H LEU A 29 0.784 -5.884 -9.104 1.00 0.51 H new ATOM 0 HA LEU A 29 2.923 -5.642 -10.971 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.605 -4.801 -11.293 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.840 -3.659 -9.985 1.00 0.54 H new ATOM 0 HG LEU A 29 2.630 -2.541 -11.284 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.922 -3.092 -13.664 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.384 -4.450 -12.611 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.827 -4.482 -13.473 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.145 -1.524 -12.972 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.013 -2.857 -12.749 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.319 -1.734 -11.410 1.00 0.57 H new ATOM 292 N LEU A 30 3.021 -3.773 -8.243 1.00 0.50 N ATOM 293 CA LEU A 30 3.890 -2.928 -7.423 1.00 0.54 C ATOM 294 C LEU A 30 5.042 -3.710 -6.791 1.00 0.48 C ATOM 295 O LEU A 30 6.140 -3.172 -6.636 1.00 0.50 O ATOM 296 CB LEU A 30 3.081 -2.221 -6.334 1.00 0.68 C ATOM 297 CG LEU A 30 2.495 -0.851 -6.717 1.00 0.84 C ATOM 298 CD1 LEU A 30 1.661 -0.939 -7.984 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.660 -0.312 -5.567 1.00 1.04 C ATOM 0 H LEU A 30 2.089 -3.919 -7.855 1.00 0.50 H new ATOM 0 HA LEU A 30 4.327 -2.186 -8.092 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.262 -2.875 -6.035 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.720 -2.090 -5.461 1.00 0.68 H new ATOM 0 HG LEU A 30 3.321 -0.168 -6.915 1.00 0.84 H new ATOM 0 HD11 LEU A 30 1.262 0.046 -8.226 1.00 0.91 H new ATOM 0 HD12 LEU A 30 2.284 -1.290 -8.806 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.837 -1.636 -7.830 1.00 0.91 H new ATOM 0 HD21 LEU A 30 1.246 0.658 -5.841 1.00 1.04 H new ATOM 0 HD22 LEU A 30 0.847 -1.005 -5.352 1.00 1.04 H new ATOM 0 HD23 LEU A 30 2.287 -0.202 -4.682 1.00 1.04 H new ATOM 311 N VAL A 31 4.804 -4.970 -6.431 1.00 0.45 N ATOM 312 CA VAL A 31 5.826 -5.769 -5.764 1.00 0.45 C ATOM 313 C VAL A 31 7.079 -5.910 -6.642 1.00 0.46 C ATOM 314 O VAL A 31 8.202 -5.737 -6.167 1.00 0.54 O ATOM 315 CB VAL A 31 5.305 -7.167 -5.329 1.00 0.45 C ATOM 316 CG1 VAL A 31 4.916 -8.029 -6.517 1.00 1.20 C ATOM 317 CG2 VAL A 31 6.338 -7.881 -4.470 1.00 1.29 C ATOM 0 H VAL A 31 3.920 -5.455 -6.589 1.00 0.45 H new ATOM 0 HA VAL A 31 6.094 -5.230 -4.855 1.00 0.45 H new ATOM 0 HB VAL A 31 4.404 -7.004 -4.738 1.00 0.45 H new ATOM 0 HG11 VAL A 31 4.558 -8.996 -6.163 1.00 1.20 H new ATOM 0 HG12 VAL A 31 4.126 -7.534 -7.082 1.00 1.20 H new ATOM 0 HG13 VAL A 31 5.784 -8.176 -7.159 1.00 1.20 H new ATOM 0 HG21 VAL A 31 5.954 -8.858 -4.176 1.00 1.29 H new ATOM 0 HG22 VAL A 31 7.259 -8.009 -5.039 1.00 1.29 H new ATOM 0 HG23 VAL A 31 6.542 -7.288 -3.579 1.00 1.29 H new ATOM 327 N THR A 32 6.877 -6.220 -7.924 1.00 0.45 N ATOM 328 CA THR A 32 7.980 -6.346 -8.871 1.00 0.51 C ATOM 329 C THR A 32 8.581 -4.981 -9.221 1.00 0.49 C ATOM 330 O THR A 32 9.766 -4.888 -9.535 1.00 0.55 O ATOM 331 CB THR A 32 7.559 -7.084 -10.169 1.00 0.58 C ATOM 332 OG1 THR A 32 8.677 -7.190 -11.062 1.00 0.71 O ATOM 333 CG2 THR A 32 6.415 -6.368 -10.874 1.00 0.59 C ATOM 0 H THR A 32 5.956 -6.388 -8.329 1.00 0.45 H new ATOM 0 HA THR A 32 8.741 -6.947 -8.372 1.00 0.51 H new ATOM 0 HB THR A 32 7.217 -8.079 -9.885 1.00 0.58 H new ATOM 0 HG1 THR A 32 8.401 -7.659 -11.877 1.00 0.71 H new ATOM 0 HG21 THR A 32 6.147 -6.913 -11.779 1.00 0.59 H new ATOM 0 HG22 THR A 32 5.552 -6.320 -10.210 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.726 -5.357 -11.138 1.00 0.59 H new ATOM 341 N HIS A 33 7.746 -3.936 -9.169 1.00 0.43 N ATOM 342 CA HIS A 33 8.151 -2.577 -9.561 1.00 0.45 C ATOM 343 C HIS A 33 9.485 -2.179 -8.956 1.00 0.51 C ATOM 344 O HIS A 33 10.432 -1.848 -9.671 1.00 0.68 O ATOM 345 CB HIS A 33 7.085 -1.559 -9.160 1.00 0.47 C ATOM 346 CG HIS A 33 6.114 -1.263 -10.264 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.766 -1.140 -10.263 1.00 1.27 N flip ATOM 348 CD2 HIS A 33 6.514 -1.030 -11.560 1.00 1.18 C flip ATOM 349 CE1 HIS A 33 4.383 -0.836 -11.548 1.00 1.03 C flip ATOM 350 NE2 HIS A 33 5.461 -0.777 -12.308 1.00 0.85 N flip ATOM 0 H HIS A 33 6.777 -4.005 -8.857 1.00 0.43 H new ATOM 0 HA HIS A 33 8.261 -2.583 -10.645 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.539 -1.934 -8.294 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.572 -0.633 -8.853 1.00 0.47 H new ATOM 0 HD2 HIS A 33 7.536 -1.051 -11.910 1.00 1.18 H new ATOM 0 HE1 HIS A 33 3.369 -0.673 -11.881 1.00 1.03 H new ATOM 0 HE2 HIS A 33 5.475 -0.570 -13.307 1.00 0.85 H new ATOM 359 N ILE A 34 9.558 -2.197 -7.642 1.00 0.51 N ATOM 360 CA ILE A 34 10.807 -1.927 -6.966 1.00 0.62 C ATOM 361 C ILE A 34 11.138 -3.079 -6.029 1.00 0.55 C ATOM 362 O ILE A 34 12.055 -3.851 -6.297 1.00 0.63 O ATOM 363 CB ILE A 34 10.789 -0.567 -6.214 1.00 0.85 C ATOM 364 CG1 ILE A 34 12.047 -0.404 -5.351 1.00 1.71 C ATOM 365 CG2 ILE A 34 9.525 -0.398 -5.377 1.00 1.51 C ATOM 366 CD1 ILE A 34 13.327 -0.333 -6.158 1.00 2.62 C ATOM 0 H ILE A 34 8.771 -2.395 -7.024 1.00 0.51 H new ATOM 0 HA ILE A 34 11.591 -1.845 -7.719 1.00 0.62 H new ATOM 0 HB ILE A 34 10.786 0.222 -6.966 1.00 0.85 H new ATOM 0 HG12 ILE A 34 11.953 0.502 -4.753 1.00 1.71 H new ATOM 0 HG13 ILE A 34 12.111 -1.240 -4.655 1.00 1.71 H new ATOM 0 HG21 ILE A 34 9.552 0.565 -4.868 1.00 1.51 H new ATOM 0 HG22 ILE A 34 8.650 -0.441 -6.026 1.00 1.51 H new ATOM 0 HG23 ILE A 34 9.468 -1.197 -4.638 1.00 1.51 H new ATOM 0 HD11 ILE A 34 14.176 -0.218 -5.484 1.00 2.62 H new ATOM 0 HD12 ILE A 34 13.444 -1.250 -6.736 1.00 2.62 H new ATOM 0 HD13 ILE A 34 13.283 0.520 -6.835 1.00 2.62 H new ATOM 378 N ARG A 35 10.360 -3.216 -4.964 1.00 0.67 N ATOM 379 CA ARG A 35 10.556 -4.280 -3.977 1.00 0.80 C ATOM 380 C ARG A 35 9.287 -4.479 -3.167 1.00 0.71 C ATOM 381 O ARG A 35 9.070 -5.545 -2.595 1.00 0.79 O ATOM 382 CB ARG A 35 11.724 -3.966 -3.026 1.00 1.03 C ATOM 383 CG ARG A 35 13.099 -4.198 -3.634 1.00 1.54 C ATOM 384 CD ARG A 35 14.214 -3.902 -2.647 1.00 1.54 C ATOM 385 NE ARG A 35 15.534 -4.116 -3.238 1.00 1.79 N ATOM 386 CZ ARG A 35 16.673 -4.099 -2.547 1.00 2.43 C ATOM 387 NH1 ARG A 35 16.661 -3.893 -1.239 1.00 2.85 N ATOM 388 NH2 ARG A 35 17.828 -4.295 -3.163 1.00 3.25 N ATOM 0 H ARG A 35 9.576 -2.597 -4.756 1.00 0.67 H new ATOM 0 HA ARG A 35 10.796 -5.193 -4.522 1.00 0.80 H new ATOM 0 HB2 ARG A 35 11.650 -2.926 -2.708 1.00 1.03 H new ATOM 0 HB3 ARG A 35 11.626 -4.581 -2.131 1.00 1.03 H new ATOM 0 HG2 ARG A 35 13.177 -5.232 -3.970 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.217 -3.567 -4.515 1.00 1.54 H new ATOM 0 HD2 ARG A 35 14.132 -2.870 -2.305 1.00 1.54 H new ATOM 0 HD3 ARG A 35 14.101 -4.539 -1.770 1.00 1.54 H new ATOM 0 HE ARG A 35 15.586 -4.289 -4.242 1.00 1.79 H new ATOM 0 HH11 ARG A 35 15.776 -3.746 -0.754 1.00 2.85 H new ATOM 0 HH12 ARG A 35 17.537 -3.881 -0.716 1.00 2.85 H new ATOM 0 HH21 ARG A 35 17.848 -4.460 -4.169 1.00 3.25 H new ATOM 0 HH22 ARG A 35 18.698 -4.281 -2.631 1.00 3.25 H new ATOM 402 N ASN A 36 8.475 -3.418 -3.104 1.00 0.62 N ATOM 403 CA ASN A 36 7.188 -3.415 -2.396 1.00 0.60 C ATOM 404 C ASN A 36 7.404 -3.286 -0.878 1.00 0.64 C ATOM 405 O ASN A 36 6.543 -2.798 -0.150 1.00 1.01 O ATOM 406 CB ASN A 36 6.367 -4.676 -2.697 1.00 0.69 C ATOM 407 CG ASN A 36 4.996 -4.657 -2.041 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.376 -3.605 -1.891 1.00 1.26 O ATOM 409 ND2 ASN A 36 4.521 -5.824 -1.633 1.00 1.53 N ATOM 0 H ASN A 36 8.695 -2.526 -3.548 1.00 0.62 H new ATOM 0 HA ASN A 36 6.627 -2.553 -2.755 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.247 -4.777 -3.776 1.00 0.69 H new ATOM 0 HB3 ASN A 36 6.917 -5.552 -2.354 1.00 0.69 H new ATOM 0 HD21 ASN A 36 3.610 -5.872 -1.176 1.00 1.53 H new ATOM 0 HD22 ASN A 36 5.066 -6.674 -1.776 1.00 1.53 H new ATOM 416 N THR A 37 8.570 -3.714 -0.412 1.00 0.61 N ATOM 417 CA THR A 37 8.896 -3.694 1.008 1.00 0.65 C ATOM 418 C THR A 37 8.982 -2.269 1.552 1.00 0.54 C ATOM 419 O THR A 37 8.831 -2.041 2.750 1.00 0.46 O ATOM 420 CB THR A 37 10.220 -4.434 1.263 1.00 0.79 C ATOM 421 OG1 THR A 37 11.139 -4.165 0.194 1.00 1.15 O ATOM 422 CG2 THR A 37 9.991 -5.935 1.379 1.00 1.47 C ATOM 0 H THR A 37 9.314 -4.083 -1.005 1.00 0.61 H new ATOM 0 HA THR A 37 8.089 -4.204 1.535 1.00 0.65 H new ATOM 0 HB THR A 37 10.638 -4.076 2.204 1.00 0.79 H new ATOM 0 HG1 THR A 37 11.982 -4.637 0.361 1.00 1.15 H new ATOM 0 HG21 THR A 37 10.942 -6.435 1.559 1.00 1.47 H new ATOM 0 HG22 THR A 37 9.312 -6.137 2.208 1.00 1.47 H new ATOM 0 HG23 THR A 37 9.554 -6.309 0.453 1.00 1.47 H new ATOM 430 N GLN A 38 9.205 -1.310 0.668 1.00 0.58 N ATOM 431 CA GLN A 38 9.275 0.090 1.062 1.00 0.56 C ATOM 432 C GLN A 38 7.934 0.555 1.637 1.00 0.50 C ATOM 433 O GLN A 38 7.886 1.396 2.541 1.00 0.47 O ATOM 434 CB GLN A 38 9.680 0.964 -0.131 1.00 0.68 C ATOM 435 CG GLN A 38 11.102 0.735 -0.625 1.00 0.95 C ATOM 436 CD GLN A 38 11.288 -0.606 -1.310 1.00 1.16 C ATOM 437 OE1 GLN A 38 10.361 -1.139 -1.928 1.00 1.88 O ATOM 438 NE2 GLN A 38 12.481 -1.162 -1.204 1.00 1.52 N ATOM 0 H GLN A 38 9.341 -1.475 -0.329 1.00 0.58 H new ATOM 0 HA GLN A 38 10.035 0.191 1.837 1.00 0.56 H new ATOM 0 HB2 GLN A 38 8.989 0.778 -0.953 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.570 2.012 0.148 1.00 0.68 H new ATOM 0 HG2 GLN A 38 11.371 1.531 -1.319 1.00 0.95 H new ATOM 0 HG3 GLN A 38 11.788 0.803 0.219 1.00 0.95 H new ATOM 0 HE21 GLN A 38 13.220 -0.688 -0.684 1.00 1.52 H new ATOM 0 HE22 GLN A 38 12.664 -2.065 -1.642 1.00 1.52 H new ATOM 447 N CYS A 39 6.849 -0.024 1.132 1.00 0.53 N ATOM 448 CA CYS A 39 5.512 0.347 1.573 1.00 0.55 C ATOM 449 C CYS A 39 5.304 -0.024 3.037 1.00 0.46 C ATOM 450 O CYS A 39 4.845 0.784 3.844 1.00 0.47 O ATOM 451 CB CYS A 39 4.462 -0.384 0.730 1.00 0.66 C ATOM 452 SG CYS A 39 4.872 -0.546 -1.016 1.00 1.48 S ATOM 0 H CYS A 39 6.871 -0.752 0.417 1.00 0.53 H new ATOM 0 HA CYS A 39 5.405 1.425 1.454 1.00 0.55 H new ATOM 0 HB2 CYS A 39 4.311 -1.380 1.147 1.00 0.66 H new ATOM 0 HB3 CYS A 39 3.513 0.145 0.818 1.00 0.66 H new ATOM 0 HG CYS A 39 4.682 -1.775 -1.394 1.00 1.48 H new ATOM 458 N LEU A 40 5.665 -1.252 3.368 1.00 0.40 N ATOM 459 CA LEU A 40 5.416 -1.795 4.689 1.00 0.37 C ATOM 460 C LEU A 40 6.300 -1.174 5.763 1.00 0.28 C ATOM 461 O LEU A 40 5.847 -0.988 6.886 1.00 0.30 O ATOM 462 CB LEU A 40 5.511 -3.320 4.680 1.00 0.40 C ATOM 463 CG LEU A 40 6.683 -3.919 3.897 1.00 0.39 C ATOM 464 CD1 LEU A 40 7.902 -4.079 4.792 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.286 -5.258 3.295 1.00 0.48 C ATOM 0 H LEU A 40 6.136 -1.896 2.732 1.00 0.40 H new ATOM 0 HA LEU A 40 4.394 -1.524 4.955 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.576 -3.665 5.712 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.584 -3.719 4.268 1.00 0.40 H new ATOM 0 HG LEU A 40 6.941 -3.236 3.088 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.723 -4.506 4.216 1.00 0.45 H new ATOM 0 HD12 LEU A 40 8.199 -3.105 5.180 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.659 -4.741 5.623 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.129 -5.672 2.741 1.00 0.48 H new ATOM 0 HD22 LEU A 40 6.002 -5.945 4.092 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.442 -5.117 2.620 1.00 0.48 H new ATOM 477 N VAL A 41 7.550 -0.865 5.441 1.00 0.24 N ATOM 478 CA VAL A 41 8.457 -0.308 6.442 1.00 0.23 C ATOM 479 C VAL A 41 8.000 1.058 6.941 1.00 0.24 C ATOM 480 O VAL A 41 7.968 1.291 8.150 1.00 0.26 O ATOM 481 CB VAL A 41 9.913 -0.206 5.958 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.593 -1.563 6.037 1.00 0.31 C ATOM 483 CG2 VAL A 41 9.979 0.332 4.544 1.00 0.33 C ATOM 0 H VAL A 41 7.955 -0.987 4.513 1.00 0.24 H new ATOM 0 HA VAL A 41 8.425 -1.020 7.266 1.00 0.23 H new ATOM 0 HB VAL A 41 10.439 0.490 6.612 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.623 -1.475 5.691 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.586 -1.914 7.069 1.00 0.31 H new ATOM 0 HG13 VAL A 41 10.059 -2.275 5.408 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.020 0.394 4.227 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.435 -0.335 3.875 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.530 1.325 4.511 1.00 0.33 H new ATOM 493 N ASP A 42 7.652 1.970 6.036 1.00 0.27 N ATOM 494 CA ASP A 42 7.153 3.273 6.474 1.00 0.32 C ATOM 495 C ASP A 42 5.801 3.119 7.154 1.00 0.30 C ATOM 496 O ASP A 42 5.428 3.903 8.021 1.00 0.31 O ATOM 497 CB ASP A 42 7.093 4.293 5.340 1.00 0.42 C ATOM 498 CG ASP A 42 7.351 5.694 5.866 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.528 6.023 6.126 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.387 6.459 6.053 1.00 1.82 O ATOM 0 H ASP A 42 7.703 1.839 5.026 1.00 0.27 H new ATOM 0 HA ASP A 42 7.866 3.667 7.198 1.00 0.32 H new ATOM 0 HB2 ASP A 42 7.832 4.043 4.579 1.00 0.42 H new ATOM 0 HB3 ASP A 42 6.115 4.254 4.860 1.00 0.42 H new ATOM 505 N ASN A 43 5.059 2.099 6.767 1.00 0.31 N ATOM 506 CA ASN A 43 3.841 1.772 7.452 1.00 0.34 C ATOM 507 C ASN A 43 4.177 1.266 8.857 1.00 0.30 C ATOM 508 O ASN A 43 3.453 1.511 9.816 1.00 0.33 O ATOM 509 CB ASN A 43 3.070 0.732 6.640 1.00 0.42 C ATOM 510 CG ASN A 43 2.073 -0.011 7.476 1.00 0.73 C ATOM 511 OD1 ASN A 43 2.532 -1.094 8.059 1.00 0.98 O flip ATOM 512 ND2 ASN A 43 0.910 0.375 7.592 1.00 1.10 N flip ATOM 0 H ASN A 43 5.285 1.488 5.982 1.00 0.31 H new ATOM 0 HA ASN A 43 3.207 2.653 7.554 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.555 1.226 5.816 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.772 0.024 6.199 1.00 0.42 H new ATOM 0 HD21 ASN A 43 0.605 1.224 7.117 1.00 1.10 H new ATOM 0 HD22 ASN A 43 0.251 -0.155 8.163 1.00 1.10 H new ATOM 519 N LEU A 44 5.305 0.572 8.966 1.00 0.28 N ATOM 520 CA LEU A 44 5.753 0.005 10.230 1.00 0.31 C ATOM 521 C LEU A 44 6.121 1.091 11.232 1.00 0.34 C ATOM 522 O LEU A 44 5.670 1.037 12.366 1.00 0.48 O ATOM 523 CB LEU A 44 6.924 -0.976 9.989 1.00 0.34 C ATOM 524 CG LEU A 44 7.754 -1.441 11.209 1.00 0.81 C ATOM 525 CD1 LEU A 44 8.786 -0.407 11.623 1.00 0.61 C ATOM 526 CD2 LEU A 44 6.867 -1.788 12.389 1.00 1.93 C ATOM 0 H LEU A 44 5.932 0.388 8.183 1.00 0.28 H new ATOM 0 HA LEU A 44 4.927 -0.555 10.668 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.519 -1.864 9.504 1.00 0.34 H new ATOM 0 HB3 LEU A 44 7.608 -0.510 9.280 1.00 0.34 H new ATOM 0 HG LEU A 44 8.282 -2.341 10.895 1.00 0.81 H new ATOM 0 HD11 LEU A 44 9.345 -0.775 12.483 1.00 0.61 H new ATOM 0 HD12 LEU A 44 9.471 -0.225 10.795 1.00 0.61 H new ATOM 0 HD13 LEU A 44 8.283 0.523 11.889 1.00 0.61 H new ATOM 0 HD21 LEU A 44 7.485 -2.110 13.227 1.00 1.93 H new ATOM 0 HD22 LEU A 44 6.290 -0.911 12.681 1.00 1.93 H new ATOM 0 HD23 LEU A 44 6.187 -2.593 12.109 1.00 1.93 H new ATOM 538 N LEU A 45 6.913 2.085 10.847 1.00 0.33 N ATOM 539 CA LEU A 45 7.309 3.089 11.833 1.00 0.47 C ATOM 540 C LEU A 45 6.100 3.940 12.229 1.00 0.44 C ATOM 541 O LEU A 45 6.051 4.493 13.326 1.00 0.50 O ATOM 542 CB LEU A 45 8.552 3.909 11.380 1.00 0.66 C ATOM 543 CG LEU A 45 8.377 5.285 10.694 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.450 5.222 9.501 1.00 0.77 C ATOM 545 CD2 LEU A 45 7.932 6.357 11.684 1.00 1.28 C ATOM 0 H LEU A 45 7.281 2.218 9.905 1.00 0.33 H new ATOM 0 HA LEU A 45 7.645 2.582 12.738 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.173 4.066 12.262 1.00 0.66 H new ATOM 0 HB3 LEU A 45 9.122 3.279 10.697 1.00 0.66 H new ATOM 0 HG LEU A 45 9.360 5.568 10.317 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.362 6.213 9.056 1.00 0.77 H new ATOM 0 HD12 LEU A 45 7.853 4.528 8.763 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.466 4.879 9.822 1.00 0.77 H new ATOM 0 HD21 LEU A 45 7.820 7.308 11.164 1.00 1.28 H new ATOM 0 HD22 LEU A 45 6.978 6.071 12.126 1.00 1.28 H new ATOM 0 HD23 LEU A 45 8.680 6.459 12.470 1.00 1.28 H new ATOM 557 N LYS A 46 5.119 4.021 11.337 1.00 0.40 N ATOM 558 CA LYS A 46 3.868 4.698 11.635 1.00 0.46 C ATOM 559 C LYS A 46 2.979 3.874 12.580 1.00 0.47 C ATOM 560 O LYS A 46 2.342 4.427 13.478 1.00 0.59 O ATOM 561 CB LYS A 46 3.110 4.985 10.335 1.00 0.48 C ATOM 562 CG LYS A 46 3.240 6.417 9.829 1.00 0.80 C ATOM 563 CD LYS A 46 4.617 6.690 9.255 1.00 1.37 C ATOM 564 CE LYS A 46 4.702 8.061 8.608 1.00 1.51 C ATOM 565 NZ LYS A 46 6.002 8.268 7.913 1.00 2.32 N ATOM 0 H LYS A 46 5.169 3.624 10.399 1.00 0.40 H new ATOM 0 HA LYS A 46 4.112 5.633 12.139 1.00 0.46 H new ATOM 0 HB2 LYS A 46 3.470 4.306 9.562 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.054 4.762 10.488 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.485 6.602 9.065 1.00 0.80 H new ATOM 0 HG3 LYS A 46 3.043 7.110 10.647 1.00 0.80 H new ATOM 0 HD2 LYS A 46 5.361 6.617 10.048 1.00 1.37 H new ATOM 0 HD3 LYS A 46 4.860 5.925 8.517 1.00 1.37 H new ATOM 0 HE2 LYS A 46 3.886 8.177 7.894 1.00 1.51 H new ATOM 0 HE3 LYS A 46 4.571 8.830 9.369 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 5.920 9.069 7.255 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 6.742 8.470 8.615 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 6.253 7.409 7.383 1.00 2.32 H new ATOM 579 N ASN A 47 2.951 2.553 12.387 1.00 0.39 N ATOM 580 CA ASN A 47 1.989 1.689 13.089 1.00 0.45 C ATOM 581 C ASN A 47 2.624 0.885 14.228 1.00 0.42 C ATOM 582 O ASN A 47 1.921 0.292 15.043 1.00 0.51 O ATOM 583 CB ASN A 47 1.327 0.724 12.103 1.00 0.47 C ATOM 584 CG ASN A 47 0.425 1.414 11.095 1.00 0.62 C ATOM 585 OD1 ASN A 47 0.645 2.563 10.719 1.00 1.08 O ATOM 586 ND2 ASN A 47 -0.605 0.712 10.653 1.00 1.37 N ATOM 0 H ASN A 47 3.579 2.057 11.754 1.00 0.39 H new ATOM 0 HA ASN A 47 1.246 2.353 13.531 1.00 0.45 H new ATOM 0 HB2 ASN A 47 2.102 0.174 11.569 1.00 0.47 H new ATOM 0 HB3 ASN A 47 0.743 -0.008 12.660 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -1.249 1.122 9.977 1.00 1.37 H new ATOM 0 HD22 ASN A 47 -0.755 -0.240 10.988 1.00 1.37 H new ATOM 593 N ASP A 48 3.947 0.854 14.255 1.00 0.37 N ATOM 594 CA ASP A 48 4.731 0.254 15.349 1.00 0.43 C ATOM 595 C ASP A 48 4.580 -1.263 15.511 1.00 0.42 C ATOM 596 O ASP A 48 4.747 -1.766 16.623 1.00 0.51 O ATOM 597 CB ASP A 48 4.421 0.934 16.686 1.00 0.58 C ATOM 598 CG ASP A 48 5.171 2.236 16.857 1.00 1.13 C ATOM 599 OD1 ASP A 48 6.413 2.193 17.012 1.00 1.12 O ATOM 600 OD2 ASP A 48 4.529 3.299 16.846 1.00 1.90 O ATOM 0 H ASP A 48 4.524 1.248 13.512 1.00 0.37 H new ATOM 0 HA ASP A 48 5.767 0.426 15.055 1.00 0.43 H new ATOM 0 HB2 ASP A 48 3.350 1.123 16.755 1.00 0.58 H new ATOM 0 HB3 ASP A 48 4.679 0.259 17.502 1.00 0.58 H new ATOM 605 N TYR A 49 4.292 -1.996 14.425 1.00 0.42 N ATOM 606 CA TYR A 49 4.401 -3.470 14.442 1.00 0.59 C ATOM 607 C TYR A 49 4.041 -4.107 13.100 1.00 0.69 C ATOM 608 O TYR A 49 4.419 -5.246 12.840 1.00 1.34 O ATOM 609 CB TYR A 49 3.584 -4.126 15.576 1.00 0.72 C ATOM 610 CG TYR A 49 2.079 -3.987 15.493 1.00 0.77 C ATOM 611 CD1 TYR A 49 1.442 -2.824 15.899 1.00 0.71 C ATOM 612 CD2 TYR A 49 1.292 -5.044 15.048 1.00 1.04 C ATOM 613 CE1 TYR A 49 0.066 -2.714 15.868 1.00 0.85 C ATOM 614 CE2 TYR A 49 -0.084 -4.939 15.007 1.00 1.22 C ATOM 615 CZ TYR A 49 -0.691 -3.774 15.419 1.00 1.11 C ATOM 616 OH TYR A 49 -2.063 -3.669 15.393 1.00 1.33 O ATOM 0 H TYR A 49 3.986 -1.604 13.535 1.00 0.42 H new ATOM 0 HA TYR A 49 5.455 -3.666 14.637 1.00 0.59 H new ATOM 0 HB2 TYR A 49 3.827 -5.188 15.601 1.00 0.72 H new ATOM 0 HB3 TYR A 49 3.914 -3.701 16.524 1.00 0.72 H new ATOM 0 HD1 TYR A 49 2.033 -1.989 16.246 1.00 0.71 H new ATOM 0 HD2 TYR A 49 1.765 -5.961 14.730 1.00 1.04 H new ATOM 0 HE1 TYR A 49 -0.414 -1.803 16.194 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -0.681 -5.767 14.654 1.00 1.22 H new ATOM 0 HH TYR A 49 -2.366 -3.570 14.466 1.00 1.33 H new ATOM 626 N PHE A 50 3.342 -3.373 12.241 1.00 0.47 N ATOM 627 CA PHE A 50 2.979 -3.865 10.902 1.00 0.47 C ATOM 628 C PHE A 50 4.176 -3.852 9.947 1.00 0.47 C ATOM 629 O PHE A 50 4.077 -3.388 8.811 1.00 0.62 O ATOM 630 CB PHE A 50 1.860 -3.006 10.333 1.00 0.53 C ATOM 631 CG PHE A 50 0.535 -3.215 10.997 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.157 -4.399 10.828 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.010 -2.235 11.804 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.369 -4.602 11.448 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.223 -2.433 12.426 1.00 0.92 C ATOM 636 CZ PHE A 50 -1.931 -3.587 12.199 1.00 0.93 C ATOM 0 H PHE A 50 3.011 -2.430 12.443 1.00 0.47 H new ATOM 0 HA PHE A 50 2.646 -4.898 11.002 1.00 0.47 H new ATOM 0 HB2 PHE A 50 2.139 -1.956 10.424 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.759 -3.217 9.268 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.258 -5.175 10.202 1.00 0.67 H new ATOM 0 HD2 PHE A 50 0.520 -1.305 11.949 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -1.878 -5.549 11.348 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -1.617 -1.680 13.092 1.00 0.92 H new ATOM 0 HZ PHE A 50 -2.925 -3.701 12.606 1.00 0.93 H new ATOM 646 N SER A 51 5.297 -4.354 10.421 1.00 0.45 N ATOM 647 CA SER A 51 6.479 -4.522 9.611 1.00 0.55 C ATOM 648 C SER A 51 6.418 -5.847 8.890 1.00 0.59 C ATOM 649 O SER A 51 5.406 -6.552 8.939 1.00 0.54 O ATOM 650 CB SER A 51 7.752 -4.479 10.454 1.00 0.62 C ATOM 651 OG SER A 51 7.910 -5.670 11.201 1.00 0.76 O ATOM 0 H SER A 51 5.411 -4.659 11.388 1.00 0.45 H new ATOM 0 HA SER A 51 6.508 -3.699 8.897 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.616 -4.336 9.806 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.715 -3.625 11.130 1.00 0.62 H new ATOM 0 HG SER A 51 8.733 -5.617 11.730 1.00 0.76 H new ATOM 657 N ALA A 52 7.492 -6.159 8.205 1.00 0.72 N ATOM 658 CA ALA A 52 7.669 -7.460 7.588 1.00 0.76 C ATOM 659 C ALA A 52 7.421 -8.582 8.602 1.00 0.71 C ATOM 660 O ALA A 52 7.008 -9.666 8.224 1.00 0.68 O ATOM 661 CB ALA A 52 9.067 -7.574 7.004 1.00 0.94 C ATOM 0 H ALA A 52 8.272 -5.519 8.057 1.00 0.72 H new ATOM 0 HA ALA A 52 6.941 -7.563 6.784 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.190 -8.554 6.543 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.211 -6.799 6.252 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.804 -7.451 7.798 1.00 0.94 H new ATOM 667 N GLU A 53 7.682 -8.318 9.884 1.00 0.76 N ATOM 668 CA GLU A 53 7.472 -9.317 10.934 1.00 0.79 C ATOM 669 C GLU A 53 5.980 -9.663 11.051 1.00 0.67 C ATOM 670 O GLU A 53 5.603 -10.832 10.993 1.00 0.67 O ATOM 671 CB GLU A 53 8.002 -8.765 12.265 1.00 0.92 C ATOM 672 CG GLU A 53 8.365 -9.820 13.304 1.00 1.56 C ATOM 673 CD GLU A 53 7.173 -10.577 13.849 1.00 2.33 C ATOM 674 OE1 GLU A 53 6.350 -9.962 14.554 1.00 2.87 O ATOM 675 OE2 GLU A 53 7.039 -11.781 13.546 1.00 3.00 O ATOM 0 H GLU A 53 8.038 -7.423 10.220 1.00 0.76 H new ATOM 0 HA GLU A 53 8.012 -10.230 10.681 1.00 0.79 H new ATOM 0 HB2 GLU A 53 8.884 -8.158 12.063 1.00 0.92 H new ATOM 0 HB3 GLU A 53 7.249 -8.102 12.691 1.00 0.92 H new ATOM 0 HG2 GLU A 53 9.062 -10.530 12.859 1.00 1.56 H new ATOM 0 HG3 GLU A 53 8.886 -9.338 14.131 1.00 1.56 H new ATOM 682 N ASP A 54 5.135 -8.637 11.160 1.00 0.59 N ATOM 683 CA ASP A 54 3.679 -8.831 11.185 1.00 0.53 C ATOM 684 C ASP A 54 3.218 -9.399 9.860 1.00 0.41 C ATOM 685 O ASP A 54 2.388 -10.311 9.796 1.00 0.38 O ATOM 686 CB ASP A 54 2.961 -7.502 11.452 1.00 0.54 C ATOM 687 CG ASP A 54 1.632 -7.384 10.715 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.614 -7.911 11.227 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.595 -6.772 9.629 1.00 0.65 O ATOM 0 H ASP A 54 5.430 -7.663 11.232 1.00 0.59 H new ATOM 0 HA ASP A 54 3.435 -9.527 11.987 1.00 0.53 H new ATOM 0 HB2 ASP A 54 2.787 -7.398 12.523 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.610 -6.679 11.154 1.00 0.54 H new ATOM 694 N ALA A 55 3.789 -8.853 8.807 1.00 0.39 N ATOM 695 CA ALA A 55 3.499 -9.287 7.465 1.00 0.35 C ATOM 696 C ALA A 55 3.824 -10.764 7.278 1.00 0.33 C ATOM 697 O ALA A 55 3.050 -11.489 6.679 1.00 0.36 O ATOM 698 CB ALA A 55 4.260 -8.430 6.463 1.00 0.43 C ATOM 0 H ALA A 55 4.468 -8.094 8.862 1.00 0.39 H new ATOM 0 HA ALA A 55 2.430 -9.164 7.288 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.034 -8.766 5.451 1.00 0.43 H new ATOM 0 HB2 ALA A 55 3.961 -7.388 6.574 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.331 -8.522 6.645 1.00 0.43 H new ATOM 704 N GLU A 56 4.935 -11.209 7.829 1.00 0.36 N ATOM 705 CA GLU A 56 5.365 -12.593 7.670 1.00 0.41 C ATOM 706 C GLU A 56 4.451 -13.557 8.428 1.00 0.35 C ATOM 707 O GLU A 56 4.250 -14.695 8.006 1.00 0.38 O ATOM 708 CB GLU A 56 6.813 -12.762 8.132 1.00 0.56 C ATOM 709 CG GLU A 56 7.399 -14.129 7.813 1.00 0.96 C ATOM 710 CD GLU A 56 7.568 -14.379 6.324 1.00 1.60 C ATOM 711 OE1 GLU A 56 6.804 -13.813 5.515 1.00 2.44 O ATOM 712 OE2 GLU A 56 8.472 -15.156 5.953 1.00 1.81 O ATOM 0 H GLU A 56 5.561 -10.635 8.393 1.00 0.36 H new ATOM 0 HA GLU A 56 5.301 -12.837 6.610 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.427 -11.994 7.662 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.864 -12.596 9.208 1.00 0.56 H new ATOM 0 HG2 GLU A 56 8.368 -14.224 8.302 1.00 0.96 H new ATOM 0 HG3 GLU A 56 6.753 -14.900 8.233 1.00 0.96 H new ATOM 719 N ILE A 57 3.907 -13.117 9.551 1.00 0.35 N ATOM 720 CA ILE A 57 2.996 -13.959 10.316 1.00 0.40 C ATOM 721 C ILE A 57 1.669 -14.120 9.577 1.00 0.38 C ATOM 722 O ILE A 57 1.182 -15.235 9.382 1.00 0.45 O ATOM 723 CB ILE A 57 2.726 -13.386 11.727 1.00 0.48 C ATOM 724 CG1 ILE A 57 4.042 -13.086 12.452 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.879 -14.350 12.545 1.00 0.58 C ATOM 726 CD1 ILE A 57 5.034 -14.231 12.425 1.00 0.67 C ATOM 0 H ILE A 57 4.076 -12.194 9.951 1.00 0.35 H new ATOM 0 HA ILE A 57 3.478 -14.930 10.427 1.00 0.40 H new ATOM 0 HB ILE A 57 2.175 -12.452 11.613 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.503 -12.208 11.999 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.824 -12.832 13.489 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.700 -13.928 13.534 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.926 -14.513 12.043 1.00 0.58 H new ATOM 0 HG23 ILE A 57 2.403 -15.300 12.645 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.939 -13.941 12.959 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.594 -15.105 12.905 1.00 0.67 H new ATOM 0 HD13 ILE A 57 5.284 -14.472 11.392 1.00 0.67 H new ATOM 738 N VAL A 58 1.101 -12.997 9.161 1.00 0.35 N ATOM 739 CA VAL A 58 -0.187 -12.983 8.475 1.00 0.42 C ATOM 740 C VAL A 58 -0.088 -13.547 7.053 1.00 0.45 C ATOM 741 O VAL A 58 -1.006 -14.221 6.591 1.00 0.55 O ATOM 742 CB VAL A 58 -0.787 -11.563 8.437 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.142 -11.546 7.737 1.00 0.56 C ATOM 744 CG2 VAL A 58 -0.909 -11.000 9.845 1.00 0.43 C ATOM 0 H VAL A 58 1.516 -12.074 9.288 1.00 0.35 H new ATOM 0 HA VAL A 58 -0.851 -13.630 9.049 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.109 -10.932 7.862 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.535 -10.529 7.729 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -2.026 -11.898 6.712 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.835 -12.198 8.269 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.334 -9.997 9.800 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.558 -11.643 10.439 1.00 0.43 H new ATOM 0 HG23 VAL A 58 0.078 -10.956 10.306 1.00 0.43 H new ATOM 754 N CYS A 59 1.039 -13.284 6.377 1.00 0.41 N ATOM 755 CA CYS A 59 1.220 -13.600 4.946 1.00 0.48 C ATOM 756 C CYS A 59 0.928 -15.067 4.630 1.00 0.55 C ATOM 757 O CYS A 59 0.697 -15.410 3.475 1.00 0.63 O ATOM 758 CB CYS A 59 2.641 -13.268 4.487 1.00 0.52 C ATOM 759 SG CYS A 59 3.899 -14.427 5.068 1.00 0.92 S ATOM 0 H CYS A 59 1.855 -12.845 6.804 1.00 0.41 H new ATOM 0 HA CYS A 59 0.502 -12.983 4.406 1.00 0.48 H new ATOM 0 HB2 CYS A 59 2.662 -13.243 3.397 1.00 0.52 H new ATOM 0 HB3 CYS A 59 2.898 -12.267 4.834 1.00 0.52 H new ATOM 0 HG CYS A 59 3.718 -14.665 6.333 1.00 0.92 H new ATOM 765 N ALA A 60 0.990 -15.929 5.643 1.00 0.54 N ATOM 766 CA ALA A 60 0.666 -17.347 5.487 1.00 0.64 C ATOM 767 C ALA A 60 -0.557 -17.571 4.582 1.00 0.70 C ATOM 768 O ALA A 60 -0.631 -18.570 3.866 1.00 0.78 O ATOM 769 CB ALA A 60 0.430 -17.974 6.853 1.00 0.67 C ATOM 0 H ALA A 60 1.264 -15.667 6.590 1.00 0.54 H new ATOM 0 HA ALA A 60 1.516 -17.827 5.002 1.00 0.64 H new ATOM 0 HB1 ALA A 60 0.189 -19.030 6.732 1.00 0.67 H new ATOM 0 HB2 ALA A 60 1.330 -17.874 7.459 1.00 0.67 H new ATOM 0 HB3 ALA A 60 -0.399 -17.467 7.348 1.00 0.67 H new ATOM 775 N CYS A 61 -1.504 -16.636 4.602 1.00 0.69 N ATOM 776 CA CYS A 61 -2.683 -16.735 3.749 1.00 0.76 C ATOM 777 C CYS A 61 -2.636 -15.738 2.567 1.00 0.71 C ATOM 778 O CYS A 61 -2.722 -16.154 1.412 1.00 0.79 O ATOM 779 CB CYS A 61 -3.955 -16.536 4.577 1.00 0.81 C ATOM 780 SG CYS A 61 -4.073 -17.623 6.017 1.00 1.41 S ATOM 0 H CYS A 61 -1.478 -15.807 5.196 1.00 0.69 H new ATOM 0 HA CYS A 61 -2.692 -17.737 3.319 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -4.000 -15.500 4.912 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -4.822 -16.702 3.938 1.00 0.81 H new ATOM 0 HG CYS A 61 -5.179 -17.380 6.655 1.00 1.41 H new ATOM 786 N PRO A 62 -2.521 -14.411 2.823 1.00 0.62 N ATOM 787 CA PRO A 62 -2.541 -13.383 1.775 1.00 0.60 C ATOM 788 C PRO A 62 -1.154 -13.010 1.219 1.00 0.54 C ATOM 789 O PRO A 62 -1.028 -12.080 0.423 1.00 0.49 O ATOM 790 CB PRO A 62 -3.154 -12.173 2.505 1.00 0.58 C ATOM 791 CG PRO A 62 -3.297 -12.569 3.943 1.00 0.60 C ATOM 792 CD PRO A 62 -2.434 -13.776 4.133 1.00 0.57 C ATOM 0 HA PRO A 62 -3.088 -13.730 0.899 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.514 -11.296 2.406 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.122 -11.912 2.077 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -2.984 -11.759 4.602 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.336 -12.792 4.183 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.409 -13.510 4.392 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.805 -14.424 4.927 1.00 0.57 H new ATOM 800 N THR A 63 -0.125 -13.741 1.634 1.00 0.58 N ATOM 801 CA THR A 63 1.272 -13.475 1.244 1.00 0.57 C ATOM 802 C THR A 63 1.704 -12.031 1.553 1.00 0.46 C ATOM 803 O THR A 63 0.963 -11.270 2.183 1.00 0.42 O ATOM 804 CB THR A 63 1.558 -13.824 -0.241 1.00 0.66 C ATOM 805 OG1 THR A 63 0.690 -13.104 -1.129 1.00 0.93 O ATOM 806 CG2 THR A 63 1.399 -15.317 -0.477 1.00 0.94 C ATOM 0 H THR A 63 -0.228 -14.543 2.256 1.00 0.58 H new ATOM 0 HA THR A 63 1.876 -14.142 1.859 1.00 0.57 H new ATOM 0 HB THR A 63 2.586 -13.530 -0.451 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.228 -12.396 -0.633 1.00 0.93 H new ATOM 0 HG21 THR A 63 1.603 -15.544 -1.523 1.00 0.94 H new ATOM 0 HG22 THR A 63 2.099 -15.862 0.156 1.00 0.94 H new ATOM 0 HG23 THR A 63 0.380 -15.617 -0.233 1.00 0.94 H new ATOM 814 N GLN A 64 2.918 -11.673 1.147 1.00 0.46 N ATOM 815 CA GLN A 64 3.477 -10.349 1.439 1.00 0.44 C ATOM 816 C GLN A 64 2.666 -9.197 0.832 1.00 0.40 C ATOM 817 O GLN A 64 2.349 -8.236 1.536 1.00 0.38 O ATOM 818 CB GLN A 64 4.934 -10.258 0.972 1.00 0.55 C ATOM 819 CG GLN A 64 5.953 -10.307 2.103 1.00 0.81 C ATOM 820 CD GLN A 64 5.939 -11.617 2.871 1.00 1.45 C ATOM 821 OE1 GLN A 64 5.624 -12.671 2.324 1.00 2.09 O ATOM 822 NE2 GLN A 64 6.295 -11.559 4.145 1.00 2.22 N ATOM 0 H GLN A 64 3.539 -12.281 0.613 1.00 0.46 H new ATOM 0 HA GLN A 64 3.428 -10.238 2.522 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.135 -11.076 0.281 1.00 0.55 H new ATOM 0 HB3 GLN A 64 5.069 -9.330 0.416 1.00 0.55 H new ATOM 0 HG2 GLN A 64 6.949 -10.146 1.692 1.00 0.81 H new ATOM 0 HG3 GLN A 64 5.757 -9.487 2.794 1.00 0.81 H new ATOM 0 HE21 GLN A 64 6.550 -10.664 4.563 1.00 2.22 H new ATOM 0 HE22 GLN A 64 6.314 -12.409 4.708 1.00 2.22 H new ATOM 831 N PRO A 65 2.327 -9.238 -0.469 1.00 0.41 N ATOM 832 CA PRO A 65 1.640 -8.119 -1.116 1.00 0.40 C ATOM 833 C PRO A 65 0.250 -7.835 -0.529 1.00 0.33 C ATOM 834 O PRO A 65 -0.133 -6.675 -0.372 1.00 0.32 O ATOM 835 CB PRO A 65 1.556 -8.531 -2.586 1.00 0.48 C ATOM 836 CG PRO A 65 2.530 -9.648 -2.746 1.00 0.55 C ATOM 837 CD PRO A 65 2.591 -10.334 -1.417 1.00 0.48 C ATOM 0 HA PRO A 65 2.180 -7.185 -0.965 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.547 -8.851 -2.846 1.00 0.48 H new ATOM 0 HB3 PRO A 65 1.805 -7.697 -3.242 1.00 0.48 H new ATOM 0 HG2 PRO A 65 2.209 -10.337 -3.527 1.00 0.55 H new ATOM 0 HG3 PRO A 65 3.511 -9.272 -3.037 1.00 0.55 H new ATOM 0 HD2 PRO A 65 1.846 -11.126 -1.337 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.564 -10.793 -1.243 1.00 0.48 H new ATOM 845 N ASP A 66 -0.521 -8.865 -0.190 1.00 0.31 N ATOM 846 CA ASP A 66 -1.807 -8.611 0.446 1.00 0.29 C ATOM 847 C ASP A 66 -1.583 -8.102 1.860 1.00 0.26 C ATOM 848 O ASP A 66 -2.406 -7.377 2.413 1.00 0.26 O ATOM 849 CB ASP A 66 -2.728 -9.820 0.443 1.00 0.34 C ATOM 850 CG ASP A 66 -3.372 -10.069 -0.903 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.259 -9.279 -1.295 1.00 1.11 O ATOM 852 OD2 ASP A 66 -2.985 -11.047 -1.580 1.00 1.02 O ATOM 0 H ASP A 66 -0.289 -9.847 -0.338 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.316 -7.849 -0.145 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.160 -10.703 0.737 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -3.507 -9.678 1.192 1.00 0.34 H new ATOM 857 N LYS A 67 -0.466 -8.516 2.457 1.00 0.28 N ATOM 858 CA LYS A 67 -0.103 -8.062 3.790 1.00 0.29 C ATOM 859 C LYS A 67 -0.026 -6.546 3.870 1.00 0.29 C ATOM 860 O LYS A 67 -0.399 -5.970 4.893 1.00 0.33 O ATOM 861 CB LYS A 67 1.224 -8.649 4.258 1.00 0.35 C ATOM 862 CG LYS A 67 1.051 -9.700 5.333 1.00 0.64 C ATOM 863 CD LYS A 67 -0.054 -9.326 6.304 1.00 0.79 C ATOM 864 CE LYS A 67 0.447 -8.491 7.480 1.00 1.13 C ATOM 865 NZ LYS A 67 1.110 -7.235 7.061 1.00 1.28 N ATOM 0 H LYS A 67 0.199 -9.164 2.036 1.00 0.28 H new ATOM 0 HA LYS A 67 -0.896 -8.417 4.448 1.00 0.29 H new ATOM 0 HB2 LYS A 67 1.743 -9.089 3.406 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.857 -7.847 4.638 1.00 0.35 H new ATOM 0 HG2 LYS A 67 0.821 -10.660 4.871 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.988 -9.824 5.876 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.825 -8.769 5.772 1.00 0.79 H new ATOM 0 HD3 LYS A 67 -0.521 -10.235 6.683 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.393 -8.251 8.131 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.147 -9.085 8.068 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 1.291 -6.643 7.896 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.011 -7.458 6.593 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.494 -6.721 6.399 1.00 1.28 H new ATOM 879 N VAL A 68 0.485 -5.896 2.825 1.00 0.27 N ATOM 880 CA VAL A 68 0.516 -4.439 2.818 1.00 0.29 C ATOM 881 C VAL A 68 -0.901 -3.888 2.754 1.00 0.26 C ATOM 882 O VAL A 68 -1.216 -2.908 3.416 1.00 0.28 O ATOM 883 CB VAL A 68 1.402 -3.817 1.707 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.833 -4.308 1.835 1.00 0.47 C ATOM 885 CG2 VAL A 68 0.868 -4.087 0.313 1.00 0.47 C ATOM 0 H VAL A 68 0.873 -6.343 1.994 1.00 0.27 H new ATOM 0 HA VAL A 68 0.990 -4.145 3.754 1.00 0.29 H new ATOM 0 HB VAL A 68 1.379 -2.737 1.849 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.442 -3.863 1.048 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.231 -4.021 2.808 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.855 -5.394 1.740 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.527 -3.629 -0.424 1.00 0.47 H new ATOM 0 HG22 VAL A 68 0.825 -5.163 0.142 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -0.132 -3.664 0.218 1.00 0.47 H new ATOM 895 N ARG A 69 -1.766 -4.532 1.981 1.00 0.24 N ATOM 896 CA ARG A 69 -3.186 -4.188 2.007 1.00 0.31 C ATOM 897 C ARG A 69 -3.720 -4.252 3.444 1.00 0.25 C ATOM 898 O ARG A 69 -4.356 -3.316 3.922 1.00 0.25 O ATOM 899 CB ARG A 69 -3.976 -5.132 1.095 1.00 0.47 C ATOM 900 CG ARG A 69 -5.475 -5.169 1.362 1.00 0.63 C ATOM 901 CD ARG A 69 -6.158 -3.834 1.102 1.00 0.92 C ATOM 902 NE ARG A 69 -7.507 -3.820 1.659 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.628 -3.807 0.945 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.589 -3.676 -0.374 1.00 2.21 N ATOM 905 NH2 ARG A 69 -9.800 -3.898 1.558 1.00 2.61 N ATOM 0 H ARG A 69 -1.518 -5.283 1.338 1.00 0.24 H new ATOM 0 HA ARG A 69 -3.309 -3.170 1.638 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -3.813 -4.835 0.059 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.576 -6.140 1.205 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -5.932 -5.933 0.733 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.647 -5.463 2.397 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -5.570 -3.029 1.543 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.202 -3.646 0.029 1.00 0.92 H new ATOM 0 HE ARG A 69 -7.596 -3.820 2.675 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -7.692 -3.584 -0.851 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.456 -3.667 -0.911 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -9.839 -3.978 2.574 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.662 -3.888 1.013 1.00 2.61 H new ATOM 919 N LYS A 70 -3.417 -5.354 4.129 1.00 0.24 N ATOM 920 CA LYS A 70 -3.837 -5.556 5.517 1.00 0.26 C ATOM 921 C LYS A 70 -3.324 -4.433 6.421 1.00 0.23 C ATOM 922 O LYS A 70 -4.066 -3.909 7.255 1.00 0.27 O ATOM 923 CB LYS A 70 -3.357 -6.948 6.007 1.00 0.31 C ATOM 924 CG LYS A 70 -3.424 -7.194 7.519 1.00 0.31 C ATOM 925 CD LYS A 70 -2.203 -6.628 8.241 1.00 0.31 C ATOM 926 CE LYS A 70 -1.913 -7.334 9.561 1.00 0.38 C ATOM 927 NZ LYS A 70 -3.040 -7.229 10.526 1.00 0.75 N ATOM 0 H LYS A 70 -2.877 -6.128 3.742 1.00 0.24 H new ATOM 0 HA LYS A 70 -4.926 -5.527 5.565 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -3.955 -7.711 5.509 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.326 -7.089 5.682 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.328 -6.738 7.922 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -3.495 -8.265 7.710 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.332 -6.712 7.591 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -2.359 -5.566 8.430 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -1.702 -8.386 9.367 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -1.016 -6.906 10.008 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -2.694 -7.427 11.487 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -3.437 -6.269 10.492 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -3.778 -7.918 10.275 1.00 0.75 H new ATOM 941 N ILE A 71 -2.056 -4.061 6.262 1.00 0.21 N ATOM 942 CA ILE A 71 -1.458 -3.063 7.136 1.00 0.21 C ATOM 943 C ILE A 71 -2.061 -1.679 6.900 1.00 0.18 C ATOM 944 O ILE A 71 -2.362 -0.964 7.861 1.00 0.20 O ATOM 945 CB ILE A 71 0.090 -3.024 7.039 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.572 -2.713 5.624 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.670 -4.343 7.508 1.00 0.50 C ATOM 948 CD1 ILE A 71 2.072 -2.844 5.428 1.00 0.57 C ATOM 0 H ILE A 71 -1.432 -4.432 5.545 1.00 0.21 H new ATOM 0 HA ILE A 71 -1.697 -3.368 8.155 1.00 0.21 H new ATOM 0 HB ILE A 71 0.439 -2.218 7.685 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.067 -3.381 4.926 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.272 -1.697 5.366 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.757 -4.308 7.437 1.00 0.50 H new ATOM 0 HG22 ILE A 71 0.379 -4.521 8.543 1.00 0.50 H new ATOM 0 HG23 ILE A 71 0.291 -5.150 6.881 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.326 -2.605 4.395 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.588 -2.155 6.097 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.380 -3.866 5.651 1.00 0.57 H new ATOM 960 N LEU A 72 -2.266 -1.301 5.636 1.00 0.19 N ATOM 961 CA LEU A 72 -2.864 -0.001 5.342 1.00 0.24 C ATOM 962 C LEU A 72 -4.317 0.033 5.818 1.00 0.25 C ATOM 963 O LEU A 72 -4.822 1.083 6.216 1.00 0.29 O ATOM 964 CB LEU A 72 -2.828 0.381 3.856 1.00 0.39 C ATOM 965 CG LEU A 72 -1.463 0.526 3.161 1.00 0.31 C ATOM 966 CD1 LEU A 72 -0.295 0.234 4.091 1.00 0.53 C ATOM 967 CD2 LEU A 72 -1.422 -0.377 1.941 1.00 0.88 C ATOM 0 H LEU A 72 -2.032 -1.863 4.818 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.255 0.727 5.878 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -3.399 -0.369 3.309 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -3.357 1.328 3.746 1.00 0.39 H new ATOM 0 HG LEU A 72 -1.354 1.566 2.854 1.00 0.31 H new ATOM 0 HD11 LEU A 72 0.642 0.352 3.547 1.00 0.53 H new ATOM 0 HD12 LEU A 72 -0.316 0.928 4.931 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.372 -0.788 4.463 1.00 0.53 H new ATOM 0 HD21 LEU A 72 -0.456 -0.277 1.446 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.566 -1.412 2.250 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -2.215 -0.091 1.250 1.00 0.88 H new ATOM 979 N ASP A 73 -4.990 -1.115 5.771 1.00 0.26 N ATOM 980 CA ASP A 73 -6.397 -1.194 6.171 1.00 0.31 C ATOM 981 C ASP A 73 -6.587 -0.738 7.602 1.00 0.30 C ATOM 982 O ASP A 73 -7.493 0.041 7.900 1.00 0.34 O ATOM 983 CB ASP A 73 -6.940 -2.618 6.055 1.00 0.37 C ATOM 984 CG ASP A 73 -7.457 -2.953 4.676 1.00 0.58 C ATOM 985 OD1 ASP A 73 -7.993 -2.043 4.007 1.00 0.67 O ATOM 986 OD2 ASP A 73 -7.299 -4.109 4.236 1.00 1.16 O ATOM 0 H ASP A 73 -4.588 -2.000 5.462 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.943 -0.538 5.493 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.151 -3.322 6.320 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -7.744 -2.752 6.779 1.00 0.37 H new ATOM 991 N LEU A 74 -5.734 -1.221 8.491 1.00 0.28 N ATOM 992 CA LEU A 74 -5.871 -0.889 9.897 1.00 0.28 C ATOM 993 C LEU A 74 -5.441 0.549 10.175 1.00 0.27 C ATOM 994 O LEU A 74 -5.987 1.203 11.066 1.00 0.31 O ATOM 995 CB LEU A 74 -5.100 -1.876 10.778 1.00 0.30 C ATOM 996 CG LEU A 74 -5.847 -3.185 11.078 1.00 0.37 C ATOM 997 CD1 LEU A 74 -5.899 -4.084 9.852 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.211 -3.915 12.250 1.00 0.85 C ATOM 0 H LEU A 74 -4.951 -1.835 8.268 1.00 0.28 H new ATOM 0 HA LEU A 74 -6.928 -0.972 10.151 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.155 -2.116 10.291 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -4.857 -1.387 11.722 1.00 0.30 H new ATOM 0 HG LEU A 74 -6.871 -2.927 11.349 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.434 -5.002 10.096 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -6.416 -3.567 9.043 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -4.885 -4.328 9.537 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -5.757 -4.838 12.443 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.173 -4.150 12.013 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -5.246 -3.281 13.136 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.473 1.049 9.411 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.012 2.420 9.600 1.00 0.24 C ATOM 1012 C VAL A 75 -5.059 3.433 9.117 1.00 0.27 C ATOM 1013 O VAL A 75 -5.258 4.475 9.744 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.659 2.700 8.899 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.827 2.886 7.403 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -1.986 3.906 9.537 1.00 0.23 C ATOM 0 H VAL A 75 -4.000 0.535 8.668 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.863 2.539 10.673 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.017 1.830 9.035 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.855 3.080 6.949 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.256 1.982 6.970 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.491 3.729 7.214 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -1.035 4.098 9.040 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.631 4.779 9.435 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.809 3.707 10.594 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.708 3.114 7.991 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.749 3.954 7.381 1.00 0.37 C ATOM 1028 C GLN A 76 -6.207 5.248 6.762 1.00 0.48 C ATOM 1029 O GLN A 76 -6.898 5.879 5.964 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.857 4.281 8.383 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.806 3.126 8.636 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.829 3.443 9.707 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.196 4.603 9.910 1.00 1.63 O ATOM 1034 NE2 GLN A 76 -10.307 2.418 10.391 1.00 1.56 N ATOM 0 H GLN A 76 -5.524 2.256 7.471 1.00 0.31 H new ATOM 0 HA GLN A 76 -7.161 3.359 6.566 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.404 4.582 9.328 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.427 5.135 8.016 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.321 2.873 7.709 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.233 2.247 8.933 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -9.977 1.474 10.192 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -11.006 2.571 11.118 1.00 1.56 H new ATOM 1043 N SER A 77 -4.996 5.664 7.129 1.00 0.40 N ATOM 1044 CA SER A 77 -4.436 6.895 6.574 1.00 0.50 C ATOM 1045 C SER A 77 -2.908 6.840 6.443 1.00 0.42 C ATOM 1046 O SER A 77 -2.388 6.836 5.329 1.00 0.39 O ATOM 1047 CB SER A 77 -4.863 8.098 7.425 1.00 0.66 C ATOM 1048 OG SER A 77 -6.278 8.183 7.500 1.00 1.44 O ATOM 0 H SER A 77 -4.394 5.179 7.794 1.00 0.40 H new ATOM 0 HA SER A 77 -4.833 7.006 5.565 1.00 0.50 H new ATOM 0 HB2 SER A 77 -4.446 8.007 8.428 1.00 0.66 H new ATOM 0 HB3 SER A 77 -4.461 9.015 6.995 1.00 0.66 H new ATOM 0 HG SER A 77 -6.531 8.955 8.048 1.00 1.44 H new ATOM 1054 N LYS A 78 -2.190 6.789 7.569 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.725 6.886 7.548 1.00 0.42 C ATOM 1056 C LYS A 78 -0.097 5.838 6.648 1.00 0.45 C ATOM 1057 O LYS A 78 0.595 6.178 5.694 1.00 0.95 O ATOM 1058 CB LYS A 78 -0.124 6.765 8.953 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.522 7.892 9.896 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.362 9.257 9.241 1.00 0.73 C ATOM 1061 CE LYS A 78 1.043 9.464 8.707 1.00 1.17 C ATOM 1062 NZ LYS A 78 1.182 10.770 8.015 1.00 1.13 N ATOM 0 H LYS A 78 -2.594 6.682 8.500 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.498 7.874 7.148 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.433 5.815 9.388 1.00 0.44 H new ATOM 0 HB3 LYS A 78 0.963 6.740 8.871 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.558 7.757 10.208 1.00 0.59 H new ATOM 0 HG3 LYS A 78 0.090 7.846 10.797 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -1.079 9.355 8.426 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.594 10.037 9.966 1.00 0.73 H new ATOM 0 HE2 LYS A 78 1.756 9.411 9.530 1.00 1.17 H new ATOM 0 HE3 LYS A 78 1.292 8.658 8.016 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 2.146 10.860 7.635 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.496 10.825 7.236 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 1.002 11.541 8.689 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.360 4.569 6.935 1.00 0.34 N ATOM 1077 CA GLY A 79 0.231 3.501 6.168 1.00 0.30 C ATOM 1078 C GLY A 79 -0.186 3.589 4.729 1.00 0.30 C ATOM 1079 O GLY A 79 0.629 3.419 3.837 1.00 0.33 O ATOM 0 H GLY A 79 -0.975 4.265 7.689 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.317 3.552 6.241 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.071 2.539 6.581 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.460 3.891 4.512 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.994 4.052 3.165 1.00 0.32 C ATOM 1085 C GLU A 80 -1.156 5.045 2.356 1.00 0.32 C ATOM 1086 O GLU A 80 -0.641 4.714 1.281 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.443 4.554 3.244 1.00 0.34 C ATOM 1088 CG GLU A 80 -4.024 4.955 1.898 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.448 5.472 1.983 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.655 6.554 2.579 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -6.361 4.791 1.481 1.00 0.50 O ATOM 0 H GLU A 80 -2.145 4.030 5.255 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.961 3.084 2.665 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -4.066 3.773 3.681 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.486 5.410 3.918 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -3.393 5.724 1.453 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.998 4.095 1.229 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.948 6.227 2.923 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.288 7.305 2.206 1.00 0.35 C ATOM 1100 C GLU A 81 1.218 7.066 2.097 1.00 0.35 C ATOM 1101 O GLU A 81 1.812 7.262 1.037 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.579 8.657 2.872 1.00 0.40 C ATOM 1103 CG GLU A 81 0.137 8.885 4.191 1.00 0.86 C ATOM 1104 CD GLU A 81 -0.096 10.273 4.739 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.109 11.253 3.994 1.00 1.15 O ATOM 1106 OE2 GLU A 81 -0.484 10.395 5.920 1.00 1.09 O ATOM 0 H GLU A 81 -1.227 6.461 3.876 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.692 7.326 1.194 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -0.301 9.453 2.182 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -1.653 8.740 3.039 1.00 0.40 H new ATOM 0 HG2 GLU A 81 -0.203 8.148 4.918 1.00 0.86 H new ATOM 0 HG3 GLU A 81 1.207 8.726 4.053 1.00 0.86 H new ATOM 1113 N VAL A 82 1.831 6.636 3.190 1.00 0.33 N ATOM 1114 CA VAL A 82 3.271 6.458 3.215 1.00 0.35 C ATOM 1115 C VAL A 82 3.710 5.248 2.402 1.00 0.35 C ATOM 1116 O VAL A 82 4.764 5.277 1.770 1.00 0.38 O ATOM 1117 CB VAL A 82 3.824 6.361 4.654 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.430 7.594 5.451 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.359 5.091 5.353 1.00 0.46 C ATOM 0 H VAL A 82 1.357 6.406 4.063 1.00 0.33 H new ATOM 0 HA VAL A 82 3.691 7.351 2.753 1.00 0.35 H new ATOM 0 HB VAL A 82 4.911 6.314 4.593 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.825 7.514 6.464 1.00 0.42 H new ATOM 0 HG12 VAL A 82 3.838 8.483 4.971 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.343 7.670 5.491 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.769 5.060 6.362 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.270 5.081 5.403 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.704 4.221 4.794 1.00 0.46 H new ATOM 1129 N SER A 83 2.900 4.191 2.403 1.00 0.34 N ATOM 1130 CA SER A 83 3.283 2.961 1.731 1.00 0.36 C ATOM 1131 C SER A 83 3.429 3.193 0.238 1.00 0.33 C ATOM 1132 O SER A 83 4.451 2.830 -0.349 1.00 0.32 O ATOM 1133 CB SER A 83 2.259 1.854 1.991 1.00 0.42 C ATOM 1134 OG SER A 83 0.970 2.219 1.532 1.00 1.28 O ATOM 0 H SER A 83 1.987 4.165 2.857 1.00 0.34 H new ATOM 0 HA SER A 83 4.245 2.644 2.135 1.00 0.36 H new ATOM 0 HB2 SER A 83 2.578 0.938 1.493 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.218 1.638 3.059 1.00 0.42 H new ATOM 0 HG SER A 83 0.573 2.866 2.152 1.00 1.28 H new ATOM 1140 N GLU A 84 2.437 3.844 -0.366 1.00 0.32 N ATOM 1141 CA GLU A 84 2.502 4.129 -1.787 1.00 0.33 C ATOM 1142 C GLU A 84 3.623 5.115 -2.087 1.00 0.30 C ATOM 1143 O GLU A 84 4.445 4.884 -2.965 1.00 0.36 O ATOM 1144 CB GLU A 84 1.166 4.667 -2.304 1.00 0.37 C ATOM 1145 CG GLU A 84 0.609 5.822 -1.488 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.627 6.433 -2.106 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.430 5.687 -2.701 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.809 7.665 -1.992 1.00 0.72 O ATOM 0 H GLU A 84 1.594 4.177 0.102 1.00 0.32 H new ATOM 0 HA GLU A 84 2.714 3.194 -2.305 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.292 4.992 -3.337 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.438 3.856 -2.312 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.372 5.470 -0.484 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.375 6.590 -1.384 1.00 0.34 H new ATOM 1155 N PHE A 85 3.685 6.185 -1.312 1.00 0.26 N ATOM 1156 CA PHE A 85 4.634 7.257 -1.565 1.00 0.25 C ATOM 1157 C PHE A 85 6.076 6.752 -1.479 1.00 0.23 C ATOM 1158 O PHE A 85 6.887 7.033 -2.357 1.00 0.24 O ATOM 1159 CB PHE A 85 4.404 8.399 -0.571 1.00 0.28 C ATOM 1160 CG PHE A 85 5.165 9.654 -0.893 1.00 0.36 C ATOM 1161 CD1 PHE A 85 4.812 10.426 -1.989 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.222 10.065 -0.099 1.00 0.44 C ATOM 1163 CE1 PHE A 85 5.502 11.584 -2.288 1.00 0.57 C ATOM 1164 CE2 PHE A 85 6.916 11.225 -0.391 1.00 0.54 C ATOM 1165 CZ PHE A 85 6.555 11.985 -1.487 1.00 0.59 C ATOM 0 H PHE A 85 3.087 6.335 -0.499 1.00 0.26 H new ATOM 0 HA PHE A 85 4.474 7.627 -2.578 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.339 8.630 -0.540 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.686 8.061 0.426 1.00 0.28 H new ATOM 0 HD1 PHE A 85 3.988 10.118 -2.616 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.508 9.473 0.758 1.00 0.44 H new ATOM 0 HE1 PHE A 85 5.220 12.176 -3.146 1.00 0.57 H new ATOM 0 HE2 PHE A 85 7.738 11.536 0.236 1.00 0.54 H new ATOM 0 HZ PHE A 85 7.095 12.891 -1.718 1.00 0.59 H new ATOM 1175 N PHE A 86 6.377 5.975 -0.441 1.00 0.23 N ATOM 1176 CA PHE A 86 7.747 5.545 -0.179 1.00 0.27 C ATOM 1177 C PHE A 86 8.283 4.582 -1.237 1.00 0.29 C ATOM 1178 O PHE A 86 9.397 4.766 -1.739 1.00 0.33 O ATOM 1179 CB PHE A 86 7.856 4.923 1.213 1.00 0.30 C ATOM 1180 CG PHE A 86 8.628 5.786 2.162 1.00 0.61 C ATOM 1181 CD1 PHE A 86 8.226 7.090 2.411 1.00 1.18 C ATOM 1182 CD2 PHE A 86 9.771 5.312 2.779 1.00 1.04 C ATOM 1183 CE1 PHE A 86 8.946 7.900 3.264 1.00 1.58 C ATOM 1184 CE2 PHE A 86 10.500 6.120 3.629 1.00 1.45 C ATOM 1185 CZ PHE A 86 10.086 7.416 3.871 1.00 1.58 C ATOM 0 H PHE A 86 5.691 5.631 0.231 1.00 0.23 H new ATOM 0 HA PHE A 86 8.369 6.439 -0.226 1.00 0.27 H new ATOM 0 HB2 PHE A 86 6.856 4.753 1.612 1.00 0.30 H new ATOM 0 HB3 PHE A 86 8.339 3.949 1.136 1.00 0.30 H new ATOM 0 HD1 PHE A 86 7.339 7.476 1.931 1.00 1.18 H new ATOM 0 HD2 PHE A 86 10.097 4.299 2.594 1.00 1.04 H new ATOM 0 HE1 PHE A 86 8.618 8.911 3.456 1.00 1.58 H new ATOM 0 HE2 PHE A 86 11.392 5.740 4.104 1.00 1.45 H new ATOM 0 HZ PHE A 86 10.655 8.050 4.535 1.00 1.58 H new ATOM 1195 N LEU A 87 7.509 3.561 -1.588 1.00 0.31 N ATOM 1196 CA LEU A 87 7.984 2.591 -2.572 1.00 0.36 C ATOM 1197 C LEU A 87 8.130 3.269 -3.925 1.00 0.35 C ATOM 1198 O LEU A 87 9.009 2.930 -4.710 1.00 0.39 O ATOM 1199 CB LEU A 87 7.069 1.360 -2.674 1.00 0.40 C ATOM 1200 CG LEU A 87 6.037 1.385 -3.803 1.00 0.60 C ATOM 1201 CD1 LEU A 87 5.957 0.028 -4.484 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.676 1.779 -3.267 1.00 0.83 C ATOM 0 H LEU A 87 6.575 3.384 -1.219 1.00 0.31 H new ATOM 0 HA LEU A 87 8.956 2.227 -2.239 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.694 0.476 -2.799 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.541 1.245 -1.728 1.00 0.40 H new ATOM 0 HG LEU A 87 6.353 2.126 -4.538 1.00 0.60 H new ATOM 0 HD11 LEU A 87 5.218 0.065 -5.284 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.931 -0.228 -4.901 1.00 0.93 H new ATOM 0 HD13 LEU A 87 5.665 -0.728 -3.755 1.00 0.93 H new ATOM 0 HD21 LEU A 87 3.953 1.792 -4.083 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.359 1.058 -2.513 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.735 2.771 -2.819 1.00 0.83 H new ATOM 1214 N TYR A 88 7.273 4.251 -4.170 1.00 0.34 N ATOM 1215 CA TYR A 88 7.306 5.029 -5.395 1.00 0.37 C ATOM 1216 C TYR A 88 8.521 5.938 -5.431 1.00 0.40 C ATOM 1217 O TYR A 88 9.029 6.237 -6.504 1.00 0.44 O ATOM 1218 CB TYR A 88 6.023 5.838 -5.565 1.00 0.45 C ATOM 1219 CG TYR A 88 4.801 4.985 -5.826 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.925 3.629 -6.105 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.526 5.533 -5.781 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.816 2.843 -6.331 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.409 4.754 -6.007 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.558 3.411 -6.279 1.00 0.74 C ATOM 1225 OH TYR A 88 1.445 2.636 -6.496 1.00 0.89 O ATOM 0 H TYR A 88 6.536 4.529 -3.522 1.00 0.34 H new ATOM 0 HA TYR A 88 7.380 4.331 -6.229 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.856 6.432 -4.667 1.00 0.45 H new ATOM 0 HB3 TYR A 88 6.151 6.538 -6.391 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.908 3.184 -6.145 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.406 6.585 -5.566 1.00 0.69 H new ATOM 0 HE1 TYR A 88 3.930 1.791 -6.547 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.424 5.195 -5.971 1.00 0.79 H new ATOM 0 HH TYR A 88 0.690 2.999 -5.988 1.00 0.89 H new ATOM 1235 N LEU A 89 8.958 6.414 -4.268 1.00 0.41 N ATOM 1236 CA LEU A 89 10.182 7.206 -4.195 1.00 0.50 C ATOM 1237 C LEU A 89 11.307 6.447 -4.880 1.00 0.47 C ATOM 1238 O LEU A 89 12.020 6.988 -5.724 1.00 0.48 O ATOM 1239 CB LEU A 89 10.578 7.484 -2.741 1.00 0.66 C ATOM 1240 CG LEU A 89 9.549 8.242 -1.907 1.00 0.70 C ATOM 1241 CD1 LEU A 89 10.009 8.351 -0.466 1.00 1.41 C ATOM 1242 CD2 LEU A 89 9.298 9.625 -2.485 1.00 1.23 C ATOM 0 H LEU A 89 8.490 6.268 -3.374 1.00 0.41 H new ATOM 0 HA LEU A 89 10.005 8.160 -4.692 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.784 6.532 -2.252 1.00 0.66 H new ATOM 0 HB3 LEU A 89 11.509 8.052 -2.740 1.00 0.66 H new ATOM 0 HG LEU A 89 8.613 7.683 -1.934 1.00 0.70 H new ATOM 0 HD11 LEU A 89 9.263 8.894 0.114 1.00 1.41 H new ATOM 0 HD12 LEU A 89 10.136 7.352 -0.048 1.00 1.41 H new ATOM 0 HD13 LEU A 89 10.959 8.885 -0.427 1.00 1.41 H new ATOM 0 HD21 LEU A 89 8.561 10.146 -1.874 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.230 10.191 -2.492 1.00 1.23 H new ATOM 0 HD23 LEU A 89 8.923 9.531 -3.504 1.00 1.23 H new ATOM 1254 N LEU A 90 11.456 5.189 -4.498 1.00 0.46 N ATOM 1255 CA LEU A 90 12.391 4.287 -5.157 1.00 0.46 C ATOM 1256 C LEU A 90 11.940 3.940 -6.584 1.00 0.40 C ATOM 1257 O LEU A 90 12.757 3.862 -7.500 1.00 0.42 O ATOM 1258 CB LEU A 90 12.568 2.995 -4.343 1.00 0.54 C ATOM 1259 CG LEU A 90 13.448 3.100 -3.088 1.00 0.82 C ATOM 1260 CD1 LEU A 90 14.818 3.660 -3.439 1.00 1.33 C ATOM 1261 CD2 LEU A 90 12.781 3.946 -2.014 1.00 1.59 C ATOM 0 H LEU A 90 10.937 4.765 -3.729 1.00 0.46 H new ATOM 0 HA LEU A 90 13.347 4.808 -5.219 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.582 2.642 -4.042 1.00 0.54 H new ATOM 0 HB3 LEU A 90 12.993 2.233 -4.997 1.00 0.54 H new ATOM 0 HG LEU A 90 13.578 2.095 -2.687 1.00 0.82 H new ATOM 0 HD11 LEU A 90 15.426 3.727 -2.537 1.00 1.33 H new ATOM 0 HD12 LEU A 90 15.307 3.002 -4.158 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.705 4.653 -3.874 1.00 1.33 H new ATOM 0 HD21 LEU A 90 13.429 4.001 -1.139 1.00 1.59 H new ATOM 0 HD22 LEU A 90 12.605 4.951 -2.399 1.00 1.59 H new ATOM 0 HD23 LEU A 90 11.830 3.494 -1.733 1.00 1.59 H new ATOM 1273 N GLN A 91 10.639 3.716 -6.756 1.00 0.36 N ATOM 1274 CA GLN A 91 10.109 3.140 -7.992 1.00 0.35 C ATOM 1275 C GLN A 91 10.028 4.137 -9.156 1.00 0.34 C ATOM 1276 O GLN A 91 10.580 3.874 -10.225 1.00 0.40 O ATOM 1277 CB GLN A 91 8.721 2.571 -7.709 1.00 0.38 C ATOM 1278 CG GLN A 91 8.179 1.673 -8.788 1.00 0.72 C ATOM 1279 CD GLN A 91 6.666 1.645 -8.783 1.00 1.14 C ATOM 1280 OE1 GLN A 91 6.064 2.461 -9.619 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 6.044 0.886 -8.046 1.00 1.70 N flip ATOM 0 H GLN A 91 9.930 3.925 -6.053 1.00 0.36 H new ATOM 0 HA GLN A 91 10.805 2.362 -8.307 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.756 2.013 -6.774 1.00 0.38 H new ATOM 0 HB3 GLN A 91 8.027 3.398 -7.561 1.00 0.38 H new ATOM 0 HG2 GLN A 91 8.534 2.016 -9.760 1.00 0.72 H new ATOM 0 HG3 GLN A 91 8.562 0.662 -8.648 1.00 0.72 H new ATOM 0 HE21 GLN A 91 6.547 0.267 -7.410 1.00 1.70 H new ATOM 0 HE22 GLN A 91 5.024 0.874 -8.069 1.00 1.70 H new ATOM 1290 N GLN A 92 9.386 5.287 -8.914 1.00 0.31 N ATOM 1291 CA GLN A 92 9.101 6.309 -9.943 1.00 0.36 C ATOM 1292 C GLN A 92 7.957 7.212 -9.485 1.00 0.39 C ATOM 1293 O GLN A 92 6.789 6.898 -9.698 1.00 0.42 O ATOM 1294 CB GLN A 92 8.737 5.693 -11.317 1.00 0.43 C ATOM 1295 CG GLN A 92 7.761 4.523 -11.269 1.00 0.46 C ATOM 1296 CD GLN A 92 7.946 3.588 -12.447 1.00 0.62 C ATOM 1297 OE1 GLN A 92 8.400 4.000 -13.513 1.00 0.87 O ATOM 1298 NE2 GLN A 92 7.586 2.327 -12.273 1.00 0.87 N ATOM 0 H GLN A 92 9.043 5.542 -7.988 1.00 0.31 H new ATOM 0 HA GLN A 92 10.017 6.886 -10.069 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.311 6.475 -11.946 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.655 5.360 -11.802 1.00 0.43 H new ATOM 0 HG2 GLN A 92 7.902 3.970 -10.340 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.739 4.902 -11.263 1.00 0.46 H new ATOM 0 HE21 GLN A 92 7.213 2.022 -11.374 1.00 0.87 H new ATOM 0 HE22 GLN A 92 7.681 1.659 -13.038 1.00 0.87 H new ATOM 1307 N LEU A 93 8.293 8.338 -8.859 1.00 0.48 N ATOM 1308 CA LEU A 93 7.279 9.295 -8.409 1.00 0.61 C ATOM 1309 C LEU A 93 6.409 9.741 -9.572 1.00 0.61 C ATOM 1310 O LEU A 93 5.183 9.688 -9.503 1.00 0.66 O ATOM 1311 CB LEU A 93 7.918 10.531 -7.762 1.00 0.80 C ATOM 1312 CG LEU A 93 8.538 10.321 -6.380 1.00 0.78 C ATOM 1313 CD1 LEU A 93 7.580 9.557 -5.478 1.00 1.28 C ATOM 1314 CD2 LEU A 93 9.878 9.612 -6.492 1.00 1.60 C ATOM 0 H LEU A 93 9.254 8.611 -8.652 1.00 0.48 H new ATOM 0 HA LEU A 93 6.667 8.785 -7.665 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.691 10.908 -8.431 1.00 0.80 H new ATOM 0 HB3 LEU A 93 7.158 11.309 -7.683 1.00 0.80 H new ATOM 0 HG LEU A 93 8.718 11.297 -5.929 1.00 0.78 H new ATOM 0 HD11 LEU A 93 8.037 9.416 -4.498 1.00 1.28 H new ATOM 0 HD12 LEU A 93 6.654 10.122 -5.369 1.00 1.28 H new ATOM 0 HD13 LEU A 93 7.362 8.585 -5.920 1.00 1.28 H new ATOM 0 HD21 LEU A 93 10.301 9.473 -5.497 1.00 1.60 H new ATOM 0 HD22 LEU A 93 9.737 8.640 -6.965 1.00 1.60 H new ATOM 0 HD23 LEU A 93 10.559 10.213 -7.095 1.00 1.60 H new ATOM 1326 N ALA A 94 7.062 10.164 -10.644 1.00 0.63 N ATOM 1327 CA ALA A 94 6.374 10.679 -11.813 1.00 0.73 C ATOM 1328 C ALA A 94 5.465 9.626 -12.439 1.00 0.71 C ATOM 1329 O ALA A 94 4.329 9.917 -12.809 1.00 0.78 O ATOM 1330 CB ALA A 94 7.388 11.168 -12.831 1.00 0.79 C ATOM 0 H ALA A 94 8.079 10.159 -10.726 1.00 0.63 H new ATOM 0 HA ALA A 94 5.745 11.511 -11.496 1.00 0.73 H new ATOM 0 HB1 ALA A 94 6.867 11.554 -13.707 1.00 0.79 H new ATOM 0 HB2 ALA A 94 7.993 11.960 -12.390 1.00 0.79 H new ATOM 0 HB3 ALA A 94 8.033 10.341 -13.128 1.00 0.79 H new ATOM 1336 N ASP A 95 5.959 8.402 -12.554 1.00 0.65 N ATOM 1337 CA ASP A 95 5.204 7.365 -13.240 1.00 0.67 C ATOM 1338 C ASP A 95 4.129 6.755 -12.351 1.00 0.68 C ATOM 1339 O ASP A 95 2.973 6.647 -12.745 1.00 0.71 O ATOM 1340 CB ASP A 95 6.110 6.262 -13.772 1.00 0.67 C ATOM 1341 CG ASP A 95 5.311 5.171 -14.461 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.823 5.400 -15.588 1.00 0.88 O ATOM 1343 OD2 ASP A 95 5.174 4.073 -13.882 1.00 0.87 O ATOM 0 H ASP A 95 6.864 8.106 -12.188 1.00 0.65 H new ATOM 0 HA ASP A 95 4.718 7.856 -14.083 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.829 6.686 -14.473 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.682 5.832 -12.950 1.00 0.67 H new ATOM 1348 N ALA A 96 4.517 6.387 -11.144 1.00 0.67 N ATOM 1349 CA ALA A 96 3.650 5.623 -10.259 1.00 0.72 C ATOM 1350 C ALA A 96 2.553 6.473 -9.645 1.00 0.75 C ATOM 1351 O ALA A 96 1.392 6.072 -9.621 1.00 0.83 O ATOM 1352 CB ALA A 96 4.473 4.987 -9.163 1.00 0.74 C ATOM 0 H ALA A 96 5.432 6.605 -10.750 1.00 0.67 H new ATOM 0 HA ALA A 96 3.167 4.855 -10.863 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.820 4.416 -8.503 1.00 0.74 H new ATOM 0 HB2 ALA A 96 5.215 4.321 -9.605 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.979 5.764 -8.590 1.00 0.74 H new ATOM 1358 N TYR A 97 2.910 7.647 -9.152 1.00 0.72 N ATOM 1359 CA TYR A 97 1.967 8.422 -8.369 1.00 0.76 C ATOM 1360 C TYR A 97 0.952 9.132 -9.259 1.00 0.86 C ATOM 1361 O TYR A 97 -0.219 9.244 -8.903 1.00 0.96 O ATOM 1362 CB TYR A 97 2.689 9.412 -7.458 1.00 0.71 C ATOM 1363 CG TYR A 97 1.930 9.652 -6.174 1.00 0.72 C ATOM 1364 CD1 TYR A 97 1.632 8.588 -5.335 1.00 0.84 C ATOM 1365 CD2 TYR A 97 1.494 10.919 -5.808 1.00 0.90 C ATOM 1366 CE1 TYR A 97 0.918 8.775 -4.172 1.00 0.96 C ATOM 1367 CE2 TYR A 97 0.783 11.115 -4.636 1.00 1.02 C ATOM 1368 CZ TYR A 97 0.495 10.037 -3.825 1.00 0.98 C ATOM 1369 OH TYR A 97 -0.221 10.215 -2.664 1.00 1.18 O ATOM 0 H TYR A 97 3.827 8.076 -9.277 1.00 0.72 H new ATOM 0 HA TYR A 97 1.417 7.726 -7.736 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.684 9.033 -7.226 1.00 0.71 H new ATOM 0 HB3 TYR A 97 2.823 10.358 -7.983 1.00 0.71 H new ATOM 0 HD1 TYR A 97 1.966 7.595 -5.598 1.00 0.84 H new ATOM 0 HD2 TYR A 97 1.712 11.763 -6.446 1.00 0.90 H new ATOM 0 HE1 TYR A 97 0.691 7.933 -3.535 1.00 0.96 H new ATOM 0 HE2 TYR A 97 0.456 12.106 -4.359 1.00 1.02 H new ATOM 0 HH TYR A 97 -0.351 9.349 -2.224 1.00 1.18 H new ATOM 1379 N VAL A 98 1.387 9.626 -10.407 1.00 0.91 N ATOM 1380 CA VAL A 98 0.453 10.220 -11.354 1.00 1.11 C ATOM 1381 C VAL A 98 -0.503 9.155 -11.903 1.00 1.30 C ATOM 1382 O VAL A 98 -1.695 9.408 -12.084 1.00 1.35 O ATOM 1383 CB VAL A 98 1.192 10.921 -12.517 1.00 1.24 C ATOM 1384 CG1 VAL A 98 0.209 11.533 -13.502 1.00 1.74 C ATOM 1385 CG2 VAL A 98 2.139 11.986 -11.981 1.00 1.72 C ATOM 0 H VAL A 98 2.363 9.629 -10.704 1.00 0.91 H new ATOM 0 HA VAL A 98 -0.123 10.975 -10.819 1.00 1.11 H new ATOM 0 HB VAL A 98 1.776 10.168 -13.047 1.00 1.24 H new ATOM 0 HG11 VAL A 98 0.757 12.019 -14.309 1.00 1.74 H new ATOM 0 HG12 VAL A 98 -0.427 10.750 -13.915 1.00 1.74 H new ATOM 0 HG13 VAL A 98 -0.409 12.269 -12.989 1.00 1.74 H new ATOM 0 HG21 VAL A 98 2.651 12.470 -12.813 1.00 1.72 H new ATOM 0 HG22 VAL A 98 1.571 12.730 -11.423 1.00 1.72 H new ATOM 0 HG23 VAL A 98 2.874 11.522 -11.323 1.00 1.72 H new ATOM 1395 N ASP A 99 0.024 7.949 -12.114 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.775 6.829 -12.612 1.00 1.66 C ATOM 1397 C ASP A 99 -1.678 6.268 -11.516 1.00 1.52 C ATOM 1398 O ASP A 99 -2.611 5.522 -11.794 1.00 1.56 O ATOM 1399 CB ASP A 99 0.128 5.726 -13.164 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.242 5.316 -14.577 1.00 2.73 C ATOM 1401 OD1 ASP A 99 0.261 5.944 -15.532 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -1.020 4.356 -14.744 1.00 3.00 O ATOM 0 H ASP A 99 1.004 7.722 -11.947 1.00 1.46 H new ATOM 0 HA ASP A 99 -1.406 7.203 -13.418 1.00 1.66 H new ATOM 0 HB2 ASP A 99 1.163 6.068 -13.149 1.00 2.08 H new ATOM 0 HB3 ASP A 99 0.071 4.855 -12.511 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.385 6.633 -10.271 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.140 6.159 -9.109 1.00 1.47 C ATOM 1409 C LEU A 100 -3.623 6.524 -9.236 1.00 1.29 C ATOM 1410 O LEU A 100 -4.500 5.771 -8.807 1.00 1.31 O ATOM 1411 CB LEU A 100 -1.528 6.770 -7.832 1.00 1.67 C ATOM 1412 CG LEU A 100 -1.932 6.148 -6.486 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -3.331 6.574 -6.071 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -1.826 4.634 -6.546 1.00 2.05 C ATOM 0 H LEU A 100 -0.619 7.265 -10.037 1.00 1.45 H new ATOM 0 HA LEU A 100 -2.077 5.072 -9.054 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -0.443 6.712 -7.918 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -1.790 7.828 -7.806 1.00 1.67 H new ATOM 0 HG LEU A 100 -1.239 6.516 -5.729 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -3.583 6.115 -5.115 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -3.367 7.659 -5.973 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -4.048 6.254 -6.827 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -2.116 4.211 -5.584 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -2.488 4.254 -7.324 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -0.798 4.350 -6.773 1.00 2.05 H new ATOM 1426 N ARG A 101 -3.898 7.670 -9.848 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.268 8.161 -9.974 1.00 1.24 C ATOM 1428 C ARG A 101 -6.120 7.260 -10.885 1.00 1.16 C ATOM 1429 O ARG A 101 -7.234 6.895 -10.520 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.291 9.616 -10.457 1.00 1.33 C ATOM 1431 CG ARG A 101 -5.024 10.639 -9.356 1.00 1.51 C ATOM 1432 CD ARG A 101 -3.612 10.538 -8.792 1.00 1.91 C ATOM 1433 NE ARG A 101 -3.392 11.493 -7.704 1.00 2.59 N ATOM 1434 CZ ARG A 101 -2.238 12.124 -7.478 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -1.163 11.833 -8.199 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -2.154 13.028 -6.511 1.00 4.30 N ATOM 0 H ARG A 101 -3.192 8.277 -10.265 1.00 1.20 H new ATOM 0 HA ARG A 101 -5.715 8.128 -8.980 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -4.545 9.739 -11.242 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.263 9.824 -10.905 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -5.182 11.642 -9.751 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -5.744 10.496 -8.550 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -3.437 9.526 -8.428 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -2.889 10.720 -9.587 1.00 1.91 H new ATOM 0 HE ARG A 101 -4.173 11.689 -7.077 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -1.216 11.124 -8.930 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -0.284 12.318 -8.022 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -2.972 13.241 -5.940 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -1.272 13.510 -6.339 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.647 6.912 -12.095 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.309 5.891 -12.916 1.00 1.12 C ATOM 1452 C PRO A 102 -6.409 4.526 -12.217 1.00 1.04 C ATOM 1453 O PRO A 102 -7.323 3.749 -12.496 1.00 1.11 O ATOM 1454 CB PRO A 102 -5.418 5.787 -14.157 1.00 1.21 C ATOM 1455 CG PRO A 102 -4.701 7.089 -14.225 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.508 7.527 -12.801 1.00 1.12 C ATOM 0 HA PRO A 102 -7.340 6.169 -13.133 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -4.719 4.955 -14.073 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -6.011 5.615 -15.055 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -3.743 6.981 -14.734 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -5.279 7.824 -14.785 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.554 7.183 -12.401 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -4.518 8.613 -12.710 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.473 4.237 -11.307 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.428 2.930 -10.644 1.00 0.93 C ATOM 1466 C TRP A 103 -6.557 2.748 -9.624 1.00 0.89 C ATOM 1467 O TRP A 103 -7.293 1.766 -9.684 1.00 0.97 O ATOM 1468 CB TRP A 103 -4.083 2.719 -9.936 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.907 2.594 -10.857 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.940 2.406 -12.208 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.519 2.641 -10.492 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -1.662 2.349 -12.706 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.774 2.492 -11.676 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.831 2.807 -9.285 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.618 2.496 -11.690 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.552 2.809 -9.303 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.265 2.660 -10.499 1.00 0.69 C ATOM 0 H TRP A 103 -4.742 4.885 -11.014 1.00 0.95 H new ATOM 0 HA TRP A 103 -5.555 2.188 -11.432 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.909 3.554 -9.257 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -4.146 1.819 -9.324 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.839 2.315 -12.799 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -1.414 2.221 -13.687 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.370 2.931 -8.357 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.167 2.374 -12.612 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.093 2.928 -8.376 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.345 2.675 -10.479 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.705 3.692 -8.691 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.667 3.518 -7.596 1.00 0.87 C ATOM 1490 C LEU A 104 -9.106 3.585 -8.091 1.00 1.03 C ATOM 1491 O LEU A 104 -9.990 2.957 -7.519 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.401 4.466 -6.384 1.00 0.92 C ATOM 1493 CG LEU A 104 -7.947 5.912 -6.391 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -7.584 6.649 -7.657 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -9.449 5.951 -6.144 1.00 1.78 C ATOM 0 H LEU A 104 -6.183 4.568 -8.669 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.511 2.511 -7.210 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -7.800 3.975 -5.496 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -6.321 4.530 -6.255 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.464 6.431 -5.563 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -7.988 7.660 -7.618 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -6.499 6.695 -7.753 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -8.002 6.124 -8.516 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -9.793 6.985 -6.157 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -9.961 5.389 -6.925 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -9.670 5.507 -5.173 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.333 4.342 -9.155 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.682 4.650 -9.616 1.00 1.36 C ATOM 1509 C LEU A 105 -11.481 3.376 -9.912 1.00 1.52 C ATOM 1510 O LEU A 105 -12.638 3.262 -9.506 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.592 5.540 -10.865 1.00 1.47 C ATOM 1512 CG LEU A 105 -11.905 6.159 -11.365 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -11.619 7.392 -12.206 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -12.706 5.158 -12.187 1.00 2.39 C ATOM 0 H LEU A 105 -8.593 4.758 -9.721 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.212 5.181 -8.825 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -9.892 6.349 -10.657 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -10.164 4.948 -11.675 1.00 1.47 H new ATOM 0 HG LEU A 105 -12.493 6.442 -10.492 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -12.559 7.821 -12.554 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -11.085 8.127 -11.604 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -11.007 7.113 -13.064 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -13.631 5.624 -12.528 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -12.119 4.843 -13.050 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -12.943 4.289 -11.573 1.00 2.39 H new ATOM 1526 N GLU A 106 -10.856 2.413 -10.582 1.00 1.49 N ATOM 1527 CA GLU A 106 -11.566 1.212 -11.023 1.00 1.76 C ATOM 1528 C GLU A 106 -11.973 0.310 -9.857 1.00 1.76 C ATOM 1529 O GLU A 106 -12.992 -0.373 -9.927 1.00 2.02 O ATOM 1530 CB GLU A 106 -10.739 0.433 -12.060 1.00 1.86 C ATOM 1531 CG GLU A 106 -9.333 0.038 -11.617 1.00 2.09 C ATOM 1532 CD GLU A 106 -9.285 -1.237 -10.794 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -10.068 -2.173 -11.076 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -8.442 -1.325 -9.880 1.00 2.91 O ATOM 0 H GLU A 106 -9.867 2.437 -10.831 1.00 1.49 H new ATOM 0 HA GLU A 106 -12.488 1.548 -11.498 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -11.284 -0.472 -12.328 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -10.660 1.037 -12.964 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -8.706 -0.087 -12.500 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -8.904 0.852 -11.033 1.00 2.09 H new ATOM 1541 N ILE A 107 -11.190 0.302 -8.788 1.00 1.51 N ATOM 1542 CA ILE A 107 -11.455 -0.604 -7.674 1.00 1.56 C ATOM 1543 C ILE A 107 -12.075 0.127 -6.480 1.00 1.62 C ATOM 1544 O ILE A 107 -12.805 -0.468 -5.685 1.00 1.82 O ATOM 1545 CB ILE A 107 -10.155 -1.316 -7.232 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -10.429 -2.339 -6.124 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -9.123 -0.300 -6.775 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -11.413 -3.418 -6.525 1.00 2.47 C ATOM 0 H ILE A 107 -10.375 0.904 -8.666 1.00 1.51 H new ATOM 0 HA ILE A 107 -12.172 -1.345 -8.026 1.00 1.56 H new ATOM 0 HB ILE A 107 -9.759 -1.855 -8.093 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -9.489 -2.807 -5.832 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -10.812 -1.818 -5.246 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -8.214 -0.818 -6.467 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -8.893 0.380 -7.596 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -9.520 0.268 -5.934 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -11.558 -4.106 -5.692 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -12.367 -2.961 -6.789 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -11.023 -3.965 -7.383 1.00 2.47 H new ATOM 1560 N GLY A 108 -11.817 1.423 -6.382 1.00 1.55 N ATOM 1561 CA GLY A 108 -12.285 2.190 -5.246 1.00 1.84 C ATOM 1562 C GLY A 108 -13.777 2.423 -5.282 1.00 1.65 C ATOM 1563 O GLY A 108 -14.457 2.290 -4.264 1.00 2.19 O ATOM 0 H GLY A 108 -11.290 1.959 -7.072 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -12.024 1.667 -4.326 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -11.771 3.151 -5.223 1.00 1.84 H new ATOM 1567 N PHE A 109 -14.294 2.750 -6.455 1.00 1.90 N ATOM 1568 CA PHE A 109 -15.713 3.029 -6.596 1.00 2.74 C ATOM 1569 C PHE A 109 -16.197 2.663 -7.997 1.00 3.47 C ATOM 1570 O PHE A 109 -16.367 3.532 -8.856 1.00 4.14 O ATOM 1571 CB PHE A 109 -15.999 4.506 -6.298 1.00 3.42 C ATOM 1572 CG PHE A 109 -17.460 4.812 -6.122 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -18.096 4.531 -4.923 1.00 4.67 C ATOM 1574 CD2 PHE A 109 -18.196 5.382 -7.149 1.00 4.33 C ATOM 1575 CE1 PHE A 109 -19.436 4.813 -4.753 1.00 5.60 C ATOM 1576 CE2 PHE A 109 -19.537 5.664 -6.984 1.00 5.24 C ATOM 1577 CZ PHE A 109 -20.158 5.379 -5.785 1.00 5.86 C ATOM 0 H PHE A 109 -13.756 2.828 -7.318 1.00 1.90 H new ATOM 0 HA PHE A 109 -16.257 2.418 -5.876 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -15.464 4.796 -5.394 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -15.604 5.115 -7.111 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -17.537 4.087 -4.113 1.00 4.67 H new ATOM 0 HD2 PHE A 109 -17.715 5.608 -8.089 1.00 4.33 H new ATOM 0 HE1 PHE A 109 -19.920 4.591 -3.813 1.00 5.60 H new ATOM 0 HE2 PHE A 109 -20.100 6.107 -7.792 1.00 5.24 H new ATOM 0 HZ PHE A 109 -21.207 5.598 -5.654 1.00 5.86 H new ATOM 1587 N SER A 110 -16.382 1.372 -8.228 1.00 3.90 N ATOM 1588 CA SER A 110 -16.933 0.874 -9.483 1.00 5.06 C ATOM 1589 C SER A 110 -17.519 -0.520 -9.268 1.00 5.73 C ATOM 1590 O SER A 110 -16.836 -1.514 -9.591 1.00 6.28 O ATOM 1591 CB SER A 110 -15.859 0.833 -10.581 1.00 5.62 C ATOM 1592 OG SER A 110 -15.376 2.132 -10.891 1.00 5.57 O ATOM 0 H SER A 110 -16.156 0.641 -7.554 1.00 3.90 H new ATOM 0 HA SER A 110 -17.721 1.553 -9.809 1.00 5.06 H new ATOM 0 HB2 SER A 110 -15.030 0.204 -10.256 1.00 5.62 H new ATOM 0 HB3 SER A 110 -16.274 0.375 -11.479 1.00 5.62 H new ATOM 0 HG SER A 110 -15.871 2.798 -10.370 1.00 5.57 H new TER 1598 SER A 110