USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1202 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 71 GLN : amide:sc= -1.35 K(o=-0.72,f=-1.3!) USER MOD Set 1.2: B 82 THR OG1 : rot -101:sc= 0.633 USER MOD Set 2.1: B 37 ASN : amide:sc= -1.5! C(o=-2.5!,f=-13!) USER MOD Set 2.2: B 41 SER OG : rot 147:sc= -0.991! USER MOD Set 3.1: A 82 THR OG1 : rot -106:sc= 0.633 USER MOD Set 3.2: B 71 GLN : amide:sc= -1.38 K(o=-0.75,f=-1.3!) USER MOD Set 4.1: A 7 MET CE :methyl -147:sc= -11.1! (180deg=-14.8!) USER MOD Set 4.2: A 78 SER OG : rot -150:sc= 0.00825 USER MOD Set 4.3: A 81 THR OG1 : rot 76:sc= -2.82! USER MOD Set 4.4: B 7 MET CE :methyl -148:sc= -10.9! (180deg=-14.7!) USER MOD Set 4.5: B 78 SER OG : rot 180:sc= 0.0116 USER MOD Set 4.6: B 81 THR OG1 : rot 75:sc= -2.68! USER MOD Set 5.1: A 37 ASN : amide:sc= -1.69! C(o=-2.6!,f=-13!) USER MOD Set 5.2: A 41 SER OG : rot 139:sc= -0.887! USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.143 (180deg=0) USER MOD Single : A 1 SER OG : rot -123:sc= -2.19! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.66) USER MOD Single : A 16 GLN : amide:sc= -0.562 K(o=-0.56,f=-3.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.416 USER MOD Single : A 18 SER OG : rot 84:sc= 0.739 USER MOD Single : A 25 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.37) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -1.46 (180deg=-2.77!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.587 X(o=-0.59,f=-0.29) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.0493 (180deg=-0.501) USER MOD Single : A 50 GLN : amide:sc= -0.32 K(o=-0.32,f=-0.89!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 156:sc= -0.183 (180deg=-1.07) USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.4 USER MOD Single : A 68 CYS SG : rot 160:sc= 0 USER MOD Single : A 74 MET CE :methyl 148:sc= -7! (180deg=-8.03!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ -141:sc= 0.159 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -2.21! USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.64) USER MOD Single : B 16 GLN : amide:sc= -0.622 K(o=-0.62,f=-3.3!) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.416 USER MOD Single : B 18 SER OG : rot 82:sc= 0.776 USER MOD Single : B 25 HIS : no HD1:sc= -0.678 X(o=-0.68,f=-0.4) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -146:sc= -1.45 (180deg=-2.74!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 42 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.36) USER MOD Single : B 48 LYS NZ :NH3+ -154:sc= -0.0804 (180deg=-0.503) USER MOD Single : B 50 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.96!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 137:sc= -0.113 (180deg=-1.01) USER MOD Single : B 59 THR OG1 : rot 80:sc= 0.394 USER MOD Single : B 68 CYS SG : rot 160:sc= 0 USER MOD Single : B 74 MET CE :methyl 136:sc= -6.95! (180deg=-8.23!) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.070 2.998 -13.769 1.00 0.00 N ATOM 21 CA SER A 1 8.498 1.686 -13.208 1.00 0.00 C ATOM 22 C SER A 1 7.277 0.934 -12.676 1.00 0.00 C ATOM 23 O SER A 1 6.150 1.345 -12.871 1.00 0.00 O ATOM 24 CB SER A 1 9.492 1.918 -12.071 1.00 0.00 C ATOM 25 OG SER A 1 8.952 2.868 -11.162 1.00 0.00 O ATOM 0 H1 SER A 1 8.671 3.241 -14.582 1.00 0.00 H new ATOM 0 H2 SER A 1 7.079 2.937 -14.077 1.00 0.00 H new ATOM 0 H3 SER A 1 8.161 3.734 -13.040 1.00 0.00 H new ATOM 0 HA SER A 1 8.974 1.095 -13.990 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.698 0.980 -11.555 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.441 2.277 -12.470 1.00 0.00 H new ATOM 0 HG SER A 1 9.571 3.623 -11.072 1.00 0.00 H new ATOM 31 N GLU A 2 7.489 -0.168 -12.010 1.00 0.00 N ATOM 32 CA GLU A 2 6.340 -0.949 -11.471 1.00 0.00 C ATOM 33 C GLU A 2 5.848 -0.310 -10.171 1.00 0.00 C ATOM 34 O GLU A 2 4.662 -0.192 -9.933 1.00 0.00 O ATOM 35 CB GLU A 2 6.789 -2.386 -11.192 1.00 0.00 C ATOM 36 CG GLU A 2 7.655 -2.886 -12.348 1.00 0.00 C ATOM 37 CD GLU A 2 6.879 -2.766 -13.659 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.660 -2.782 -13.606 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.514 -2.661 -14.694 1.00 0.00 O ATOM 0 H GLU A 2 8.410 -0.562 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 2 5.531 -0.953 -12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.351 -2.427 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.920 -3.032 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.575 -2.305 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.943 -3.923 -12.178 1.00 0.00 H new ATOM 46 N LEU A 3 6.751 0.096 -9.322 1.00 0.00 N ATOM 47 CA LEU A 3 6.342 0.719 -8.031 1.00 0.00 C ATOM 48 C LEU A 3 5.962 2.183 -8.250 1.00 0.00 C ATOM 49 O LEU A 3 4.948 2.650 -7.781 1.00 0.00 O ATOM 50 CB LEU A 3 7.509 0.653 -7.051 1.00 0.00 C ATOM 51 CG LEU A 3 6.983 0.759 -5.620 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.533 -0.621 -5.138 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.096 1.286 -4.711 1.00 0.00 C ATOM 0 H LEU A 3 7.758 0.023 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 3 5.483 0.179 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.054 -0.282 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.212 1.462 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 3 6.135 1.443 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.158 -0.545 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.742 -0.994 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.378 -1.309 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.725 1.363 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.943 0.601 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.413 2.270 -5.057 1.00 0.00 H new ATOM 65 N GLU A 4 6.780 2.917 -8.942 1.00 0.00 N ATOM 66 CA GLU A 4 6.467 4.355 -9.170 1.00 0.00 C ATOM 67 C GLU A 4 5.180 4.491 -9.987 1.00 0.00 C ATOM 68 O GLU A 4 4.380 5.368 -9.751 1.00 0.00 O ATOM 69 CB GLU A 4 7.622 5.014 -9.924 1.00 0.00 C ATOM 70 CG GLU A 4 7.329 6.505 -10.100 1.00 0.00 C ATOM 71 CD GLU A 4 7.890 6.979 -11.441 1.00 0.00 C ATOM 72 OE1 GLU A 4 8.260 6.133 -12.236 1.00 0.00 O ATOM 73 OE2 GLU A 4 7.939 8.180 -11.648 1.00 0.00 O ATOM 0 H GLU A 4 7.650 2.588 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 4 6.329 4.846 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.554 4.878 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.753 4.540 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.254 6.683 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.777 7.073 -9.285 1.00 0.00 H new ATOM 80 N LYS A 5 4.973 3.640 -10.950 1.00 0.00 N ATOM 81 CA LYS A 5 3.735 3.745 -11.773 1.00 0.00 C ATOM 82 C LYS A 5 2.559 3.113 -11.025 1.00 0.00 C ATOM 83 O LYS A 5 1.447 3.601 -11.071 1.00 0.00 O ATOM 84 CB LYS A 5 3.946 3.020 -13.105 1.00 0.00 C ATOM 85 CG LYS A 5 3.039 3.633 -14.173 1.00 0.00 C ATOM 86 CD LYS A 5 3.670 4.922 -14.703 1.00 0.00 C ATOM 87 CE LYS A 5 3.060 5.269 -16.061 1.00 0.00 C ATOM 88 NZ LYS A 5 3.634 6.554 -16.550 1.00 0.00 N ATOM 0 H LYS A 5 5.603 2.879 -11.204 1.00 0.00 H new ATOM 0 HA LYS A 5 3.515 4.796 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.989 3.098 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.725 1.959 -12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.892 2.926 -14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.056 3.844 -13.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.503 5.737 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.749 4.799 -14.798 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.262 4.472 -16.777 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.977 5.352 -15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.219 6.790 -17.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.419 7.311 -15.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.665 6.459 -16.648 1.00 0.00 H new ATOM 102 N ALA A 6 2.793 2.029 -10.340 1.00 0.00 N ATOM 103 CA ALA A 6 1.689 1.363 -9.594 1.00 0.00 C ATOM 104 C ALA A 6 1.446 2.088 -8.268 1.00 0.00 C ATOM 105 O ALA A 6 0.407 2.677 -8.048 1.00 0.00 O ATOM 106 CB ALA A 6 2.081 -0.088 -9.310 1.00 0.00 C ATOM 0 H ALA A 6 3.703 1.574 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 6 0.778 1.393 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.277 -0.582 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.254 -0.609 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.992 -0.108 -8.712 1.00 0.00 H new ATOM 112 N MET A 7 2.401 2.042 -7.385 1.00 0.00 N ATOM 113 CA MET A 7 2.248 2.713 -6.066 1.00 0.00 C ATOM 114 C MET A 7 1.702 4.125 -6.258 1.00 0.00 C ATOM 115 O MET A 7 0.720 4.516 -5.654 1.00 0.00 O ATOM 116 CB MET A 7 3.617 2.791 -5.388 1.00 0.00 C ATOM 117 CG MET A 7 3.454 3.356 -3.978 1.00 0.00 C ATOM 118 SD MET A 7 2.296 2.324 -3.050 1.00 0.00 S ATOM 119 CE MET A 7 2.638 3.021 -1.418 1.00 0.00 C ATOM 0 H MET A 7 3.291 1.563 -7.522 1.00 0.00 H new ATOM 0 HA MET A 7 1.554 2.143 -5.449 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.070 1.801 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.288 3.423 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.419 3.385 -3.472 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.088 4.382 -4.025 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.533 2.244 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.654 3.414 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.933 3.826 -1.211 1.00 0.00 H new ATOM 129 N VAL A 8 2.336 4.898 -7.090 1.00 0.00 N ATOM 130 CA VAL A 8 1.860 6.291 -7.314 1.00 0.00 C ATOM 131 C VAL A 8 0.453 6.261 -7.915 1.00 0.00 C ATOM 132 O VAL A 8 -0.360 7.124 -7.650 1.00 0.00 O ATOM 133 CB VAL A 8 2.818 7.014 -8.258 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.433 8.491 -8.339 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.245 6.897 -7.717 1.00 0.00 C ATOM 0 H VAL A 8 3.162 4.628 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 8 1.829 6.823 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 8 2.761 6.565 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.116 9.009 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.414 8.581 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.494 8.938 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.932 7.412 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.297 7.350 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.524 5.845 -7.650 1.00 0.00 H new ATOM 145 N ALA A 9 0.151 5.268 -8.707 1.00 0.00 N ATOM 146 CA ALA A 9 -1.212 5.189 -9.300 1.00 0.00 C ATOM 147 C ALA A 9 -2.231 5.138 -8.164 1.00 0.00 C ATOM 148 O ALA A 9 -3.240 5.813 -8.191 1.00 0.00 O ATOM 149 CB ALA A 9 -1.333 3.926 -10.155 1.00 0.00 C ATOM 0 H ALA A 9 0.786 4.513 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.395 6.059 -9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.333 3.873 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.593 3.956 -10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.159 3.048 -9.533 1.00 0.00 H new ATOM 155 N LEU A 10 -1.966 4.353 -7.156 1.00 0.00 N ATOM 156 CA LEU A 10 -2.911 4.279 -6.012 1.00 0.00 C ATOM 157 C LEU A 10 -3.218 5.702 -5.548 1.00 0.00 C ATOM 158 O LEU A 10 -4.355 6.067 -5.330 1.00 0.00 O ATOM 159 CB LEU A 10 -2.273 3.487 -4.869 1.00 0.00 C ATOM 160 CG LEU A 10 -3.194 2.332 -4.477 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.380 1.239 -3.782 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.274 2.849 -3.524 1.00 0.00 C ATOM 0 H LEU A 10 -1.138 3.762 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.831 3.779 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.300 3.103 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.102 4.138 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.661 1.919 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.039 0.416 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.609 0.873 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.912 1.648 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.933 2.028 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.804 3.261 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.855 3.627 -4.020 1.00 0.00 H new ATOM 174 N ILE A 11 -2.205 6.517 -5.414 1.00 0.00 N ATOM 175 CA ILE A 11 -2.434 7.926 -4.988 1.00 0.00 C ATOM 176 C ILE A 11 -3.487 8.540 -5.915 1.00 0.00 C ATOM 177 O ILE A 11 -4.389 9.232 -5.484 1.00 0.00 O ATOM 178 CB ILE A 11 -1.097 8.692 -5.070 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.519 8.837 -3.660 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.284 10.089 -5.679 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.745 7.987 -3.537 1.00 0.00 C ATOM 0 H ILE A 11 -1.230 6.267 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.796 7.979 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.419 8.128 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.288 9.883 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.255 8.523 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.322 10.599 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.690 9.995 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.974 10.665 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.157 8.090 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.500 6.941 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.481 8.322 -4.267 1.00 0.00 H new ATOM 193 N ASP A 12 -3.379 8.280 -7.187 1.00 0.00 N ATOM 194 CA ASP A 12 -4.369 8.829 -8.150 1.00 0.00 C ATOM 195 C ASP A 12 -5.779 8.470 -7.683 1.00 0.00 C ATOM 196 O ASP A 12 -6.652 9.312 -7.597 1.00 0.00 O ATOM 197 CB ASP A 12 -4.120 8.217 -9.528 1.00 0.00 C ATOM 198 CG ASP A 12 -4.815 9.062 -10.597 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.031 8.995 -10.678 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.121 9.759 -11.316 1.00 0.00 O ATOM 0 H ASP A 12 -2.644 7.708 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.268 9.913 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.050 8.168 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.496 7.194 -9.557 1.00 0.00 H new ATOM 205 N VAL A 13 -6.007 7.223 -7.381 1.00 0.00 N ATOM 206 CA VAL A 13 -7.360 6.801 -6.919 1.00 0.00 C ATOM 207 C VAL A 13 -7.853 7.759 -5.832 1.00 0.00 C ATOM 208 O VAL A 13 -9.028 8.050 -5.738 1.00 0.00 O ATOM 209 CB VAL A 13 -7.294 5.380 -6.354 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.658 4.991 -5.787 1.00 0.00 C ATOM 211 CG2 VAL A 13 -6.918 4.401 -7.467 1.00 0.00 C ATOM 0 H VAL A 13 -5.314 6.476 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.050 6.822 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.543 5.344 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.610 3.979 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.933 5.684 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.406 5.032 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.872 3.390 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.669 4.442 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.945 4.672 -7.877 1.00 0.00 H new ATOM 221 N PHE A 14 -6.970 8.248 -5.005 1.00 0.00 N ATOM 222 CA PHE A 14 -7.400 9.183 -3.924 1.00 0.00 C ATOM 223 C PHE A 14 -8.050 10.423 -4.542 1.00 0.00 C ATOM 224 O PHE A 14 -9.079 10.886 -4.092 1.00 0.00 O ATOM 225 CB PHE A 14 -6.186 9.613 -3.095 1.00 0.00 C ATOM 226 CG PHE A 14 -6.571 9.679 -1.637 1.00 0.00 C ATOM 227 CD1 PHE A 14 -6.939 8.512 -0.958 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.561 10.907 -0.964 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.298 8.573 0.394 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.918 10.968 0.387 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.287 9.801 1.067 1.00 0.00 C ATOM 0 H PHE A 14 -5.971 8.042 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.118 8.674 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.368 8.906 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.828 10.586 -3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.946 7.565 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.277 11.808 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.583 7.673 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.909 11.915 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.563 9.848 2.110 1.00 0.00 H new ATOM 241 N HIS A 15 -7.454 10.970 -5.565 1.00 0.00 N ATOM 242 CA HIS A 15 -8.035 12.187 -6.206 1.00 0.00 C ATOM 243 C HIS A 15 -9.384 11.844 -6.843 1.00 0.00 C ATOM 244 O HIS A 15 -10.156 12.717 -7.188 1.00 0.00 O ATOM 245 CB HIS A 15 -7.073 12.698 -7.283 1.00 0.00 C ATOM 246 CG HIS A 15 -7.778 13.698 -8.160 1.00 0.00 C ATOM 247 ND1 HIS A 15 -8.298 13.356 -9.399 1.00 0.00 N ATOM 248 CD2 HIS A 15 -8.055 15.032 -7.991 1.00 0.00 C ATOM 249 CE1 HIS A 15 -8.858 14.462 -9.922 1.00 0.00 C ATOM 250 NE2 HIS A 15 -8.737 15.512 -9.105 1.00 0.00 N ATOM 0 H HIS A 15 -6.590 10.628 -5.986 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.184 12.959 -5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.202 13.159 -6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.709 11.865 -7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.785 15.619 -7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.346 14.497 -10.885 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.073 16.462 -9.264 1.00 0.00 H new ATOM 258 N GLN A 16 -9.675 10.584 -7.008 1.00 0.00 N ATOM 259 CA GLN A 16 -10.972 10.195 -7.632 1.00 0.00 C ATOM 260 C GLN A 16 -12.044 10.035 -6.552 1.00 0.00 C ATOM 261 O GLN A 16 -13.041 10.727 -6.546 1.00 0.00 O ATOM 262 CB GLN A 16 -10.797 8.870 -8.377 1.00 0.00 C ATOM 263 CG GLN A 16 -11.925 8.700 -9.396 1.00 0.00 C ATOM 264 CD GLN A 16 -11.724 9.684 -10.549 1.00 0.00 C ATOM 265 OE1 GLN A 16 -10.780 10.449 -10.553 1.00 0.00 O ATOM 266 NE2 GLN A 16 -12.578 9.698 -11.535 1.00 0.00 N ATOM 0 H GLN A 16 -9.072 9.807 -6.738 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.283 10.972 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.831 8.850 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.804 8.040 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.937 7.678 -9.774 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.889 8.874 -8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.371 9.056 -11.532 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.453 10.351 -12.309 1.00 0.00 H new ATOM 275 N TYR A 17 -11.851 9.118 -5.644 1.00 0.00 N ATOM 276 CA TYR A 17 -12.862 8.901 -4.572 1.00 0.00 C ATOM 277 C TYR A 17 -12.884 10.097 -3.615 1.00 0.00 C ATOM 278 O TYR A 17 -13.904 10.723 -3.414 1.00 0.00 O ATOM 279 CB TYR A 17 -12.505 7.634 -3.795 1.00 0.00 C ATOM 280 CG TYR A 17 -12.795 6.423 -4.650 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.942 6.094 -5.710 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.916 5.628 -4.382 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.209 4.972 -6.502 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.183 4.506 -5.176 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.329 4.177 -6.234 1.00 0.00 C ATOM 286 OH TYR A 17 -13.592 3.070 -7.016 1.00 0.00 O ATOM 0 H TYR A 17 -11.034 8.508 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.847 8.794 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.452 7.651 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.081 7.587 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.077 6.707 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.574 5.880 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.551 4.719 -7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.049 3.894 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.406 2.628 -6.695 1.00 0.00 H new ATOM 296 N SER A 18 -11.771 10.415 -3.015 1.00 0.00 N ATOM 297 CA SER A 18 -11.738 11.564 -2.066 1.00 0.00 C ATOM 298 C SER A 18 -12.012 12.869 -2.819 1.00 0.00 C ATOM 299 O SER A 18 -12.648 13.770 -2.309 1.00 0.00 O ATOM 300 CB SER A 18 -10.363 11.634 -1.402 1.00 0.00 C ATOM 301 OG SER A 18 -10.456 12.393 -0.203 1.00 0.00 O ATOM 0 H SER A 18 -10.883 9.930 -3.140 1.00 0.00 H new ATOM 0 HA SER A 18 -12.505 11.424 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.001 10.629 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.642 12.091 -2.080 1.00 0.00 H new ATOM 0 HG SER A 18 -10.758 11.814 0.528 1.00 0.00 H new ATOM 394 N HIS A 25 -8.530 15.565 1.353 1.00 0.00 N ATOM 395 CA HIS A 25 -7.493 14.942 2.222 1.00 0.00 C ATOM 396 C HIS A 25 -8.165 14.015 3.237 1.00 0.00 C ATOM 397 O HIS A 25 -7.626 13.737 4.288 1.00 0.00 O ATOM 398 CB HIS A 25 -6.727 16.038 2.964 1.00 0.00 C ATOM 399 CG HIS A 25 -5.393 16.245 2.304 1.00 0.00 C ATOM 400 ND1 HIS A 25 -4.529 17.261 2.684 1.00 0.00 N ATOM 401 CD2 HIS A 25 -4.759 15.573 1.288 1.00 0.00 C ATOM 402 CE1 HIS A 25 -3.435 17.172 1.907 1.00 0.00 C ATOM 403 NE2 HIS A 25 -3.524 16.160 1.039 1.00 0.00 N ATOM 0 HA HIS A 25 -6.802 14.366 1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.298 16.966 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.589 15.758 4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.159 14.719 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.587 17.838 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -2.834 15.879 0.343 1.00 0.00 H new ATOM 411 N LYS A 26 -9.339 13.535 2.930 1.00 0.00 N ATOM 412 CA LYS A 26 -10.043 12.628 3.881 1.00 0.00 C ATOM 413 C LYS A 26 -10.911 11.644 3.094 1.00 0.00 C ATOM 414 O LYS A 26 -11.224 11.860 1.942 1.00 0.00 O ATOM 415 CB LYS A 26 -10.943 13.430 4.840 1.00 0.00 C ATOM 416 CG LYS A 26 -10.884 14.931 4.530 1.00 0.00 C ATOM 417 CD LYS A 26 -9.741 15.571 5.320 1.00 0.00 C ATOM 418 CE LYS A 26 -10.314 16.318 6.526 1.00 0.00 C ATOM 419 NZ LYS A 26 -9.447 17.488 6.845 1.00 0.00 N ATOM 0 H LYS A 26 -9.841 13.731 2.064 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.294 12.093 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.972 13.079 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.629 13.256 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.734 15.087 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.830 15.405 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.040 14.805 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.184 16.258 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.329 16.652 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.373 15.651 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.837 17.996 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.486 17.158 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.412 18.128 6.026 1.00 0.00 H new ATOM 433 N LEU A 27 -11.308 10.569 3.715 1.00 0.00 N ATOM 434 CA LEU A 27 -12.165 9.572 3.017 1.00 0.00 C ATOM 435 C LEU A 27 -13.283 9.138 3.961 1.00 0.00 C ATOM 436 O LEU A 27 -13.662 9.858 4.863 1.00 0.00 O ATOM 437 CB LEU A 27 -11.326 8.352 2.622 1.00 0.00 C ATOM 438 CG LEU A 27 -11.822 7.802 1.282 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.035 8.445 0.139 1.00 0.00 C ATOM 440 CD2 LEU A 27 -11.621 6.286 1.248 1.00 0.00 C ATOM 0 H LEU A 27 -11.074 10.337 4.680 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.589 10.017 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.275 8.630 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.398 7.583 3.392 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.881 8.033 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.390 8.052 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.178 9.525 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.975 8.217 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.974 5.893 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.562 6.057 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.184 5.826 2.060 1.00 0.00 H new ATOM 452 N LYS A 28 -13.810 7.965 3.768 1.00 0.00 N ATOM 453 CA LYS A 28 -14.899 7.484 4.662 1.00 0.00 C ATOM 454 C LYS A 28 -14.820 5.965 4.765 1.00 0.00 C ATOM 455 O LYS A 28 -14.407 5.296 3.842 1.00 0.00 O ATOM 456 CB LYS A 28 -16.256 7.895 4.090 1.00 0.00 C ATOM 457 CG LYS A 28 -16.906 8.931 5.010 1.00 0.00 C ATOM 458 CD LYS A 28 -18.346 9.187 4.559 1.00 0.00 C ATOM 459 CE LYS A 28 -18.346 10.137 3.360 1.00 0.00 C ATOM 460 NZ LYS A 28 -19.257 11.285 3.635 1.00 0.00 N ATOM 0 H LYS A 28 -13.535 7.317 3.030 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.785 7.925 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.130 8.309 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.902 7.022 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.895 8.575 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.337 9.860 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.827 8.246 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.923 9.618 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.336 10.498 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.670 9.608 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.257 11.931 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.222 10.932 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.928 11.794 4.480 1.00 0.00 H new ATOM 474 N LYS A 29 -15.204 5.410 5.879 1.00 0.00 N ATOM 475 CA LYS A 29 -15.139 3.928 6.025 1.00 0.00 C ATOM 476 C LYS A 29 -15.989 3.268 4.938 1.00 0.00 C ATOM 477 O LYS A 29 -15.741 2.148 4.540 1.00 0.00 O ATOM 478 CB LYS A 29 -15.670 3.524 7.399 1.00 0.00 C ATOM 479 CG LYS A 29 -17.148 3.899 7.507 1.00 0.00 C ATOM 480 CD LYS A 29 -17.272 5.322 8.048 1.00 0.00 C ATOM 481 CE LYS A 29 -17.935 6.219 7.000 1.00 0.00 C ATOM 482 NZ LYS A 29 -19.235 5.621 6.580 1.00 0.00 N ATOM 0 H LYS A 29 -15.559 5.914 6.692 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.104 3.602 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.545 2.452 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.099 4.023 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.625 3.827 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.664 3.201 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.861 5.322 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.286 5.711 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.097 7.216 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.279 6.332 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.348 5.723 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.250 4.612 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.015 6.110 7.064 1.00 0.00 H new ATOM 496 N SER A 30 -16.997 3.945 4.463 1.00 0.00 N ATOM 497 CA SER A 30 -17.866 3.344 3.409 1.00 0.00 C ATOM 498 C SER A 30 -17.163 3.412 2.051 1.00 0.00 C ATOM 499 O SER A 30 -17.245 2.495 1.257 1.00 0.00 O ATOM 500 CB SER A 30 -19.186 4.113 3.340 1.00 0.00 C ATOM 501 OG SER A 30 -20.024 3.520 2.356 1.00 0.00 O ATOM 0 H SER A 30 -17.258 4.886 4.757 1.00 0.00 H new ATOM 0 HA SER A 30 -18.062 2.301 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.680 4.098 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 30 -18.999 5.158 3.093 1.00 0.00 H new ATOM 0 HG SER A 30 -20.872 4.010 2.310 1.00 0.00 H new ATOM 507 N GLU A 31 -16.471 4.481 1.772 1.00 0.00 N ATOM 508 CA GLU A 31 -15.769 4.585 0.465 1.00 0.00 C ATOM 509 C GLU A 31 -14.484 3.766 0.532 1.00 0.00 C ATOM 510 O GLU A 31 -13.909 3.407 -0.473 1.00 0.00 O ATOM 511 CB GLU A 31 -15.435 6.049 0.171 1.00 0.00 C ATOM 512 CG GLU A 31 -14.838 6.164 -1.231 1.00 0.00 C ATOM 513 CD GLU A 31 -15.213 7.517 -1.836 1.00 0.00 C ATOM 514 OE1 GLU A 31 -14.697 8.518 -1.365 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.008 7.529 -2.759 1.00 0.00 O ATOM 0 H GLU A 31 -16.362 5.284 2.391 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.410 4.204 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.334 6.660 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.729 6.428 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.754 6.062 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.208 5.356 -1.863 1.00 0.00 H new ATOM 522 N LEU A 32 -14.042 3.452 1.717 1.00 0.00 N ATOM 523 CA LEU A 32 -12.813 2.631 1.860 1.00 0.00 C ATOM 524 C LEU A 32 -13.205 1.169 1.661 1.00 0.00 C ATOM 525 O LEU A 32 -12.579 0.436 0.922 1.00 0.00 O ATOM 526 CB LEU A 32 -12.222 2.824 3.258 1.00 0.00 C ATOM 527 CG LEU A 32 -11.055 1.858 3.456 1.00 0.00 C ATOM 528 CD1 LEU A 32 -9.985 2.125 2.398 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.456 2.063 4.848 1.00 0.00 C ATOM 0 H LEU A 32 -14.482 3.730 2.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.066 2.929 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.882 3.852 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.986 2.648 4.015 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.412 0.833 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.153 1.435 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.411 1.980 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.627 3.150 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.623 1.374 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.099 3.089 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.218 1.872 5.604 1.00 0.00 H new ATOM 541 N LYS A 33 -14.262 0.755 2.304 1.00 0.00 N ATOM 542 CA LYS A 33 -14.735 -0.646 2.152 1.00 0.00 C ATOM 543 C LYS A 33 -14.944 -0.929 0.669 1.00 0.00 C ATOM 544 O LYS A 33 -14.570 -1.967 0.159 1.00 0.00 O ATOM 545 CB LYS A 33 -16.060 -0.807 2.898 1.00 0.00 C ATOM 546 CG LYS A 33 -16.265 -2.275 3.273 1.00 0.00 C ATOM 547 CD LYS A 33 -17.350 -2.882 2.383 1.00 0.00 C ATOM 548 CE LYS A 33 -18.633 -3.059 3.195 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.714 -3.573 2.309 1.00 0.00 N ATOM 0 H LYS A 33 -14.821 1.333 2.932 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.003 -1.342 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.060 -0.189 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.884 -0.463 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.332 -2.826 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.552 -2.357 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.536 -2.236 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.019 -3.844 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.462 -3.753 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.931 -2.108 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.587 -3.694 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.882 -2.896 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.428 -4.489 1.908 1.00 0.00 H new ATOM 563 N GLU A 34 -15.530 0.002 -0.031 1.00 0.00 N ATOM 564 CA GLU A 34 -15.754 -0.190 -1.487 1.00 0.00 C ATOM 565 C GLU A 34 -14.403 -0.104 -2.189 1.00 0.00 C ATOM 566 O GLU A 34 -14.092 -0.871 -3.079 1.00 0.00 O ATOM 567 CB GLU A 34 -16.706 0.907 -1.997 1.00 0.00 C ATOM 568 CG GLU A 34 -15.941 2.202 -2.296 1.00 0.00 C ATOM 569 CD GLU A 34 -16.848 3.157 -3.073 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.869 2.706 -3.565 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.506 4.325 -3.164 1.00 0.00 O ATOM 0 H GLU A 34 -15.864 0.889 0.346 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.206 -1.161 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.213 0.563 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.477 1.100 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.615 2.668 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.044 1.983 -2.875 1.00 0.00 H new ATOM 578 N LEU A 35 -13.598 0.827 -1.772 1.00 0.00 N ATOM 579 CA LEU A 35 -12.249 0.991 -2.377 1.00 0.00 C ATOM 580 C LEU A 35 -11.577 -0.380 -2.486 1.00 0.00 C ATOM 581 O LEU A 35 -10.961 -0.703 -3.482 1.00 0.00 O ATOM 582 CB LEU A 35 -11.412 1.907 -1.480 1.00 0.00 C ATOM 583 CG LEU A 35 -10.598 2.873 -2.342 1.00 0.00 C ATOM 584 CD1 LEU A 35 -9.569 2.089 -3.157 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.535 3.625 -3.289 1.00 0.00 C ATOM 0 H LEU A 35 -13.818 1.490 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.334 1.431 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.063 2.466 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.745 1.311 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.082 3.586 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.989 2.778 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.901 1.555 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.082 1.374 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.955 4.314 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.052 2.912 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.267 4.186 -2.707 1.00 0.00 H new ATOM 597 N ILE A 36 -11.693 -1.188 -1.469 1.00 0.00 N ATOM 598 CA ILE A 36 -11.058 -2.536 -1.508 1.00 0.00 C ATOM 599 C ILE A 36 -11.931 -3.496 -2.320 1.00 0.00 C ATOM 600 O ILE A 36 -11.512 -4.036 -3.325 1.00 0.00 O ATOM 601 CB ILE A 36 -10.913 -3.082 -0.085 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.790 -1.916 0.907 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.665 -3.964 -0.005 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.245 -2.425 2.243 1.00 0.00 C ATOM 0 H ILE A 36 -12.201 -0.973 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.075 -2.449 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.792 -3.674 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.128 -1.151 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.764 -1.449 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.559 -4.354 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.760 -4.794 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.785 -3.373 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.160 -1.593 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.924 -3.174 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.262 -2.871 2.089 1.00 0.00 H new ATOM 616 N ASN A 37 -13.139 -3.722 -1.882 1.00 0.00 N ATOM 617 CA ASN A 37 -14.037 -4.657 -2.615 1.00 0.00 C ATOM 618 C ASN A 37 -14.407 -4.067 -3.977 1.00 0.00 C ATOM 619 O ASN A 37 -14.077 -4.612 -5.010 1.00 0.00 O ATOM 620 CB ASN A 37 -15.309 -4.879 -1.797 1.00 0.00 C ATOM 621 CG ASN A 37 -16.159 -5.968 -2.454 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.467 -5.889 -3.627 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.553 -6.987 -1.744 1.00 0.00 N ATOM 0 H ASN A 37 -13.543 -3.299 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.522 -5.606 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.052 -5.169 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.877 -3.951 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.120 -7.719 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.294 -7.053 -0.760 1.00 0.00 H new ATOM 630 N ASN A 38 -15.100 -2.964 -3.984 1.00 0.00 N ATOM 631 CA ASN A 38 -15.506 -2.343 -5.276 1.00 0.00 C ATOM 632 C ASN A 38 -14.356 -2.403 -6.288 1.00 0.00 C ATOM 633 O ASN A 38 -14.531 -2.833 -7.411 1.00 0.00 O ATOM 634 CB ASN A 38 -15.896 -0.883 -5.038 1.00 0.00 C ATOM 635 CG ASN A 38 -16.632 -0.349 -6.264 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.812 -0.585 -6.430 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.981 0.368 -7.138 1.00 0.00 N ATOM 0 H ASN A 38 -15.404 -2.464 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.356 -2.895 -5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.531 -0.804 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.006 -0.284 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.463 0.730 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.990 0.566 -6.999 1.00 0.00 H new ATOM 644 N GLU A 39 -13.188 -1.959 -5.913 1.00 0.00 N ATOM 645 CA GLU A 39 -12.045 -1.977 -6.873 1.00 0.00 C ATOM 646 C GLU A 39 -11.405 -3.371 -6.933 1.00 0.00 C ATOM 647 O GLU A 39 -11.697 -4.157 -7.812 1.00 0.00 O ATOM 648 CB GLU A 39 -11.000 -0.948 -6.437 1.00 0.00 C ATOM 649 CG GLU A 39 -11.654 0.431 -6.335 1.00 0.00 C ATOM 650 CD GLU A 39 -11.482 1.177 -7.659 1.00 0.00 C ATOM 651 OE1 GLU A 39 -12.288 0.961 -8.547 1.00 0.00 O ATOM 652 OE2 GLU A 39 -10.545 1.952 -7.760 1.00 0.00 O ATOM 0 H GLU A 39 -12.975 -1.586 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.418 -1.727 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.574 -1.232 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.179 -0.921 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.713 0.326 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.202 1.001 -5.523 1.00 0.00 H new ATOM 659 N LEU A 40 -10.521 -3.680 -6.021 1.00 0.00 N ATOM 660 CA LEU A 40 -9.854 -5.009 -6.044 1.00 0.00 C ATOM 661 C LEU A 40 -10.892 -6.115 -6.252 1.00 0.00 C ATOM 662 O LEU A 40 -11.163 -6.520 -7.365 1.00 0.00 O ATOM 663 CB LEU A 40 -9.122 -5.220 -4.718 1.00 0.00 C ATOM 664 CG LEU A 40 -8.045 -4.144 -4.550 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.097 -4.536 -3.416 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.249 -4.007 -5.850 1.00 0.00 C ATOM 0 H LEU A 40 -10.233 -3.065 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.140 -5.046 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.829 -5.174 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.668 -6.211 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.523 -3.194 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.332 -3.768 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.660 -4.631 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.622 -5.488 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.483 -3.241 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.775 -4.959 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.921 -3.723 -6.660 1.00 0.00 H new ATOM 678 N SER A 41 -11.472 -6.610 -5.195 1.00 0.00 N ATOM 679 CA SER A 41 -12.486 -7.692 -5.344 1.00 0.00 C ATOM 680 C SER A 41 -11.982 -8.736 -6.345 1.00 0.00 C ATOM 681 O SER A 41 -12.612 -9.000 -7.350 1.00 0.00 O ATOM 682 CB SER A 41 -13.795 -7.092 -5.856 1.00 0.00 C ATOM 683 OG SER A 41 -14.685 -6.893 -4.765 1.00 0.00 O ATOM 0 H SER A 41 -11.289 -6.314 -4.236 1.00 0.00 H new ATOM 0 HA SER A 41 -12.652 -8.167 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.601 -6.144 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.248 -7.756 -6.592 1.00 0.00 H new ATOM 0 HG SER A 41 -15.139 -6.030 -4.866 1.00 0.00 H new ATOM 689 N HIS A 42 -10.851 -9.332 -6.082 1.00 0.00 N ATOM 690 CA HIS A 42 -10.313 -10.357 -7.022 1.00 0.00 C ATOM 691 C HIS A 42 -9.688 -11.504 -6.228 1.00 0.00 C ATOM 692 O HIS A 42 -10.173 -12.619 -6.242 1.00 0.00 O ATOM 693 CB HIS A 42 -9.250 -9.721 -7.919 1.00 0.00 C ATOM 694 CG HIS A 42 -9.389 -10.254 -9.318 1.00 0.00 C ATOM 695 ND1 HIS A 42 -8.437 -10.016 -10.296 1.00 0.00 N ATOM 696 CD2 HIS A 42 -10.362 -11.014 -9.917 1.00 0.00 C ATOM 697 CE1 HIS A 42 -8.854 -10.623 -11.423 1.00 0.00 C ATOM 698 NE2 HIS A 42 -10.022 -11.246 -11.247 1.00 0.00 N ATOM 0 H HIS A 42 -10.277 -9.154 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.125 -10.743 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.361 -8.637 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.255 -9.940 -7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.255 -11.377 -9.431 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.310 -10.608 -12.356 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.551 -11.777 -11.938 1.00 0.00 H new ATOM 706 N PHE A 43 -8.612 -11.244 -5.536 1.00 0.00 N ATOM 707 CA PHE A 43 -7.958 -12.322 -4.743 1.00 0.00 C ATOM 708 C PHE A 43 -8.919 -12.809 -3.659 1.00 0.00 C ATOM 709 O PHE A 43 -8.700 -13.830 -3.037 1.00 0.00 O ATOM 710 CB PHE A 43 -6.689 -11.774 -4.086 1.00 0.00 C ATOM 711 CG PHE A 43 -5.817 -11.124 -5.133 1.00 0.00 C ATOM 712 CD1 PHE A 43 -5.113 -11.916 -6.047 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.713 -9.730 -5.188 1.00 0.00 C ATOM 714 CE1 PHE A 43 -4.303 -11.313 -7.016 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.903 -9.127 -6.157 1.00 0.00 C ATOM 716 CZ PHE A 43 -4.198 -9.919 -7.071 1.00 0.00 C ATOM 0 H PHE A 43 -8.158 -10.332 -5.486 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.699 -13.151 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.950 -11.049 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.145 -12.580 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.195 -12.992 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.258 -9.119 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.759 -11.924 -7.721 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.822 -8.051 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.573 -9.454 -7.819 1.00 0.00 H new ATOM 726 N LEU A 44 -9.980 -12.088 -3.425 1.00 0.00 N ATOM 727 CA LEU A 44 -10.951 -12.509 -2.377 1.00 0.00 C ATOM 728 C LEU A 44 -11.568 -13.857 -2.757 1.00 0.00 C ATOM 729 O LEU A 44 -12.602 -13.922 -3.390 1.00 0.00 O ATOM 730 CB LEU A 44 -12.057 -11.459 -2.256 1.00 0.00 C ATOM 731 CG LEU A 44 -11.995 -10.813 -0.872 1.00 0.00 C ATOM 732 CD1 LEU A 44 -12.297 -11.865 0.196 1.00 0.00 C ATOM 733 CD2 LEU A 44 -10.596 -10.241 -0.640 1.00 0.00 C ATOM 0 H LEU A 44 -10.217 -11.225 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.433 -12.605 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.939 -10.700 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.032 -11.922 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.731 -10.012 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.253 -11.405 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.293 -12.275 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.560 -12.666 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.550 -9.780 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.860 -11.043 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.379 -9.492 -1.401 1.00 0.00 H new ATOM 745 N GLU A 45 -10.941 -14.933 -2.369 1.00 0.00 N ATOM 746 CA GLU A 45 -11.491 -16.278 -2.701 1.00 0.00 C ATOM 747 C GLU A 45 -11.443 -17.158 -1.454 1.00 0.00 C ATOM 748 O GLU A 45 -12.450 -17.657 -0.991 1.00 0.00 O ATOM 749 CB GLU A 45 -10.650 -16.918 -3.808 1.00 0.00 C ATOM 750 CG GLU A 45 -10.639 -16.002 -5.032 1.00 0.00 C ATOM 751 CD GLU A 45 -10.960 -16.820 -6.283 1.00 0.00 C ATOM 752 OE1 GLU A 45 -11.872 -17.629 -6.221 1.00 0.00 O ATOM 753 OE2 GLU A 45 -10.289 -16.627 -7.283 1.00 0.00 O ATOM 0 H GLU A 45 -10.071 -14.939 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.521 -16.178 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.632 -17.085 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.059 -17.893 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.371 -15.204 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.663 -15.527 -5.135 1.00 0.00 H new ATOM 760 N GLU A 46 -10.280 -17.344 -0.906 1.00 0.00 N ATOM 761 CA GLU A 46 -10.152 -18.183 0.317 1.00 0.00 C ATOM 762 C GLU A 46 -9.667 -17.307 1.472 1.00 0.00 C ATOM 763 O GLU A 46 -10.077 -17.468 2.604 1.00 0.00 O ATOM 764 CB GLU A 46 -9.142 -19.306 0.064 1.00 0.00 C ATOM 765 CG GLU A 46 -9.754 -20.341 -0.881 1.00 0.00 C ATOM 766 CD GLU A 46 -8.669 -21.314 -1.346 1.00 0.00 C ATOM 767 OE1 GLU A 46 -7.673 -20.849 -1.872 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.854 -22.506 -1.168 1.00 0.00 O ATOM 0 H GLU A 46 -9.406 -16.950 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.118 -18.621 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.229 -18.897 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.864 -19.778 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.552 -20.884 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.203 -19.843 -1.740 1.00 0.00 H new ATOM 775 N ILE A 47 -8.799 -16.374 1.189 1.00 0.00 N ATOM 776 CA ILE A 47 -8.286 -15.476 2.260 1.00 0.00 C ATOM 777 C ILE A 47 -7.600 -16.314 3.347 1.00 0.00 C ATOM 778 O ILE A 47 -8.202 -17.180 3.949 1.00 0.00 O ATOM 779 CB ILE A 47 -9.462 -14.656 2.835 1.00 0.00 C ATOM 780 CG1 ILE A 47 -9.087 -13.172 2.830 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.800 -15.084 4.270 1.00 0.00 C ATOM 782 CD1 ILE A 47 -10.157 -12.381 2.076 1.00 0.00 C ATOM 0 H ILE A 47 -8.422 -16.195 0.258 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.548 -14.783 1.855 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.338 -14.834 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.000 -12.804 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.115 -13.033 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.632 -14.486 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.078 -16.138 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.930 -14.933 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.892 -11.324 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.222 -12.743 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.121 -12.511 2.569 1.00 0.00 H new ATOM 794 N LYS A 48 -6.347 -16.060 3.604 1.00 0.00 N ATOM 795 CA LYS A 48 -5.631 -16.839 4.652 1.00 0.00 C ATOM 796 C LYS A 48 -5.496 -15.986 5.915 1.00 0.00 C ATOM 797 O LYS A 48 -5.316 -16.494 7.003 1.00 0.00 O ATOM 798 CB LYS A 48 -4.242 -17.227 4.145 1.00 0.00 C ATOM 799 CG LYS A 48 -3.758 -18.471 4.894 1.00 0.00 C ATOM 800 CD LYS A 48 -2.903 -18.046 6.089 1.00 0.00 C ATOM 801 CE LYS A 48 -1.505 -17.664 5.606 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.772 -18.891 5.184 1.00 0.00 N ATOM 0 H LYS A 48 -5.789 -15.347 3.134 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.195 -17.743 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.276 -17.424 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.544 -16.403 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.611 -19.059 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.178 -19.108 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.366 -17.201 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.840 -18.859 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.575 -16.965 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.959 -17.157 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.252 -18.728 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.044 -19.686 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.012 -19.117 4.198 1.00 0.00 H new ATOM 816 N GLU A 49 -5.590 -14.692 5.779 1.00 0.00 N ATOM 817 CA GLU A 49 -5.472 -13.806 6.970 1.00 0.00 C ATOM 818 C GLU A 49 -6.860 -13.294 7.356 1.00 0.00 C ATOM 819 O GLU A 49 -7.142 -12.115 7.276 1.00 0.00 O ATOM 820 CB GLU A 49 -4.567 -12.618 6.638 1.00 0.00 C ATOM 821 CG GLU A 49 -3.134 -12.931 7.071 1.00 0.00 C ATOM 822 CD GLU A 49 -3.043 -12.891 8.597 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.012 -12.489 9.220 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.005 -13.264 9.118 1.00 0.00 O ATOM 0 H GLU A 49 -5.744 -14.210 4.893 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.042 -14.367 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.598 -12.412 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.924 -11.722 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.838 -13.914 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.445 -12.207 6.636 1.00 0.00 H new ATOM 831 N GLN A 50 -7.729 -14.172 7.771 1.00 0.00 N ATOM 832 CA GLN A 50 -9.098 -13.734 8.159 1.00 0.00 C ATOM 833 C GLN A 50 -9.001 -12.592 9.173 1.00 0.00 C ATOM 834 O GLN A 50 -9.923 -11.821 9.340 1.00 0.00 O ATOM 835 CB GLN A 50 -9.851 -14.909 8.785 1.00 0.00 C ATOM 836 CG GLN A 50 -11.127 -14.401 9.458 1.00 0.00 C ATOM 837 CD GLN A 50 -10.946 -14.423 10.976 1.00 0.00 C ATOM 838 OE1 GLN A 50 -10.529 -13.445 11.564 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.246 -15.505 11.640 1.00 0.00 N ATOM 0 H GLN A 50 -7.551 -15.173 7.858 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.633 -13.389 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.100 -15.644 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.218 -15.412 9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.350 -13.388 9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.974 -15.025 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.596 -16.326 11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.131 -15.530 12.653 1.00 0.00 H new ATOM 848 N GLU A 51 -7.894 -12.480 9.853 1.00 0.00 N ATOM 849 CA GLU A 51 -7.748 -11.388 10.856 1.00 0.00 C ATOM 850 C GLU A 51 -7.402 -10.078 10.144 1.00 0.00 C ATOM 851 O GLU A 51 -7.855 -9.018 10.524 1.00 0.00 O ATOM 852 CB GLU A 51 -6.633 -11.745 11.840 1.00 0.00 C ATOM 853 CG GLU A 51 -7.222 -11.905 13.242 1.00 0.00 C ATOM 854 CD GLU A 51 -6.399 -11.090 14.241 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.188 -11.070 14.102 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.994 -10.499 15.127 1.00 0.00 O ATOM 0 H GLU A 51 -7.086 -13.095 9.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.686 -11.267 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.144 -12.669 11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.871 -10.966 11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.259 -11.571 13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.223 -12.957 13.529 1.00 0.00 H new ATOM 863 N VAL A 52 -6.604 -10.142 9.114 1.00 0.00 N ATOM 864 CA VAL A 52 -6.233 -8.899 8.384 1.00 0.00 C ATOM 865 C VAL A 52 -7.464 -8.341 7.670 1.00 0.00 C ATOM 866 O VAL A 52 -7.758 -7.163 7.749 1.00 0.00 O ATOM 867 CB VAL A 52 -5.144 -9.216 7.359 1.00 0.00 C ATOM 868 CG1 VAL A 52 -4.846 -7.970 6.526 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.873 -9.655 8.087 1.00 0.00 C ATOM 0 H VAL A 52 -6.194 -11.001 8.747 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.859 -8.159 9.091 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.486 -10.017 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.069 -8.198 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.751 -7.654 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.505 -7.168 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.096 -9.881 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.533 -8.853 8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.083 -10.544 8.681 1.00 0.00 H new ATOM 879 N VAL A 53 -8.188 -9.172 6.974 1.00 0.00 N ATOM 880 CA VAL A 53 -9.398 -8.681 6.260 1.00 0.00 C ATOM 881 C VAL A 53 -10.508 -8.421 7.276 1.00 0.00 C ATOM 882 O VAL A 53 -11.287 -7.499 7.137 1.00 0.00 O ATOM 883 CB VAL A 53 -9.856 -9.735 5.249 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.126 -9.254 4.545 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.752 -9.955 4.212 1.00 0.00 C ATOM 0 H VAL A 53 -7.994 -10.168 6.869 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.166 -7.756 5.732 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.063 -10.671 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.450 -10.006 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.913 -9.094 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.921 -8.318 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.075 -10.705 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.547 -9.018 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.846 -10.299 4.712 1.00 0.00 H new ATOM 895 N ASP A 54 -10.580 -9.217 8.302 1.00 0.00 N ATOM 896 CA ASP A 54 -11.632 -9.006 9.332 1.00 0.00 C ATOM 897 C ASP A 54 -11.247 -7.806 10.195 1.00 0.00 C ATOM 898 O ASP A 54 -12.066 -7.243 10.890 1.00 0.00 O ATOM 899 CB ASP A 54 -11.749 -10.251 10.212 1.00 0.00 C ATOM 900 CG ASP A 54 -12.868 -10.052 11.234 1.00 0.00 C ATOM 901 OD1 ASP A 54 -13.977 -9.761 10.820 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.596 -10.195 12.415 1.00 0.00 O ATOM 0 H ASP A 54 -9.956 -10.005 8.473 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.590 -8.821 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.956 -11.126 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.805 -10.438 10.723 1.00 0.00 H new ATOM 907 N LYS A 55 -10.003 -7.408 10.157 1.00 0.00 N ATOM 908 CA LYS A 55 -9.570 -6.242 10.977 1.00 0.00 C ATOM 909 C LYS A 55 -9.978 -4.946 10.276 1.00 0.00 C ATOM 910 O LYS A 55 -10.557 -4.062 10.876 1.00 0.00 O ATOM 911 CB LYS A 55 -8.050 -6.271 11.153 1.00 0.00 C ATOM 912 CG LYS A 55 -7.708 -6.754 12.562 1.00 0.00 C ATOM 913 CD LYS A 55 -6.297 -7.345 12.573 1.00 0.00 C ATOM 914 CE LYS A 55 -5.275 -6.221 12.755 1.00 0.00 C ATOM 915 NZ LYS A 55 -4.182 -6.684 13.655 1.00 0.00 N ATOM 0 H LYS A 55 -9.270 -7.840 9.594 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.047 -6.292 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.600 -6.931 10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.635 -5.277 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.772 -5.925 13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.430 -7.504 12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.202 -8.072 13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.107 -7.877 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.865 -5.928 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.759 -5.340 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.487 -5.920 13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.580 -6.943 14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.714 -7.513 13.235 1.00 0.00 H new ATOM 929 N VAL A 56 -9.686 -4.824 9.010 1.00 0.00 N ATOM 930 CA VAL A 56 -10.064 -3.583 8.284 1.00 0.00 C ATOM 931 C VAL A 56 -11.574 -3.574 8.060 1.00 0.00 C ATOM 932 O VAL A 56 -12.218 -2.546 8.116 1.00 0.00 O ATOM 933 CB VAL A 56 -9.346 -3.542 6.934 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.896 -3.104 7.138 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.369 -4.931 6.290 1.00 0.00 C ATOM 0 H VAL A 56 -9.204 -5.528 8.451 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.776 -2.712 8.872 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.855 -2.833 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.386 -3.075 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.876 -2.112 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.391 -3.812 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.856 -4.895 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.866 -5.643 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.402 -5.245 6.139 1.00 0.00 H new ATOM 945 N MET A 57 -12.141 -4.720 7.815 1.00 0.00 N ATOM 946 CA MET A 57 -13.608 -4.799 7.594 1.00 0.00 C ATOM 947 C MET A 57 -14.324 -4.585 8.926 1.00 0.00 C ATOM 948 O MET A 57 -15.449 -4.133 8.970 1.00 0.00 O ATOM 949 CB MET A 57 -13.955 -6.180 7.035 1.00 0.00 C ATOM 950 CG MET A 57 -15.375 -6.169 6.469 1.00 0.00 C ATOM 951 SD MET A 57 -15.503 -4.914 5.170 1.00 0.00 S ATOM 952 CE MET A 57 -14.419 -5.714 3.960 1.00 0.00 C ATOM 0 H MET A 57 -11.647 -5.611 7.758 1.00 0.00 H new ATOM 0 HA MET A 57 -13.923 -4.033 6.886 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.245 -6.455 6.255 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.873 -6.931 7.820 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.624 -7.151 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.092 -5.959 7.263 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.671 -5.365 2.959 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.381 -5.465 4.181 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.551 -6.795 4.011 1.00 0.00 H new ATOM 962 N GLU A 58 -13.677 -4.897 10.017 1.00 0.00 N ATOM 963 CA GLU A 58 -14.326 -4.695 11.344 1.00 0.00 C ATOM 964 C GLU A 58 -14.327 -3.202 11.669 1.00 0.00 C ATOM 965 O GLU A 58 -15.344 -2.634 12.013 1.00 0.00 O ATOM 966 CB GLU A 58 -13.550 -5.451 12.423 1.00 0.00 C ATOM 967 CG GLU A 58 -14.223 -6.802 12.682 1.00 0.00 C ATOM 968 CD GLU A 58 -13.989 -7.217 14.136 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.839 -7.370 14.509 1.00 0.00 O ATOM 970 OE2 GLU A 58 -14.965 -7.373 14.851 1.00 0.00 O ATOM 0 H GLU A 58 -12.732 -5.281 10.047 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.348 -5.072 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.518 -5.601 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.519 -4.866 13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.292 -6.733 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.819 -7.557 12.007 1.00 0.00 H new ATOM 977 N THR A 59 -13.198 -2.554 11.548 1.00 0.00 N ATOM 978 CA THR A 59 -13.153 -1.095 11.835 1.00 0.00 C ATOM 979 C THR A 59 -14.018 -0.381 10.799 1.00 0.00 C ATOM 980 O THR A 59 -14.545 0.688 11.034 1.00 0.00 O ATOM 981 CB THR A 59 -11.710 -0.594 11.736 1.00 0.00 C ATOM 982 OG1 THR A 59 -10.841 -1.540 12.342 1.00 0.00 O ATOM 983 CG2 THR A 59 -11.585 0.752 12.452 1.00 0.00 C ATOM 0 H THR A 59 -12.312 -2.971 11.264 1.00 0.00 H new ATOM 0 HA THR A 59 -13.524 -0.895 12.840 1.00 0.00 H new ATOM 0 HB THR A 59 -11.438 -0.470 10.688 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.678 -2.280 11.720 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.557 1.108 12.381 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.253 1.476 11.985 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.856 0.633 13.501 1.00 0.00 H new ATOM 991 N LEU A 60 -14.170 -0.983 9.653 1.00 0.00 N ATOM 992 CA LEU A 60 -15.003 -0.378 8.582 1.00 0.00 C ATOM 993 C LEU A 60 -16.470 -0.389 9.016 1.00 0.00 C ATOM 994 O LEU A 60 -17.142 0.625 9.014 1.00 0.00 O ATOM 995 CB LEU A 60 -14.838 -1.211 7.309 1.00 0.00 C ATOM 996 CG LEU A 60 -13.724 -0.615 6.450 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.510 -1.486 5.210 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.114 0.800 6.020 1.00 0.00 C ATOM 0 H LEU A 60 -13.747 -1.879 9.412 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.692 0.650 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.601 -2.243 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.773 -1.228 6.749 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.801 -0.578 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.715 -1.059 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.230 -2.494 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.432 -1.526 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.320 1.226 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.038 0.763 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.263 1.421 6.904 1.00 0.00 H new ATOM 1010 N ASP A 61 -16.967 -1.535 9.386 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.388 -1.640 9.821 1.00 0.00 C ATOM 1012 C ASP A 61 -18.523 -1.166 11.270 1.00 0.00 C ATOM 1013 O ASP A 61 -19.612 -1.042 11.792 1.00 0.00 O ATOM 1014 CB ASP A 61 -18.834 -3.100 9.724 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.267 -3.164 9.195 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.445 -2.983 8.002 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.161 -3.396 9.991 1.00 0.00 O ATOM 0 H ASP A 61 -16.446 -2.411 9.406 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.011 -1.017 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.166 -3.652 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.776 -3.575 10.704 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.427 -0.904 11.927 1.00 0.00 N ATOM 1023 CA GLU A 62 -17.503 -0.445 13.342 1.00 0.00 C ATOM 1024 C GLU A 62 -17.820 1.050 13.380 1.00 0.00 C ATOM 1025 O GLU A 62 -18.648 1.502 14.147 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.165 -0.702 14.038 1.00 0.00 C ATOM 1027 CG GLU A 62 -16.300 -0.383 15.527 1.00 0.00 C ATOM 1028 CD GLU A 62 -14.916 -0.370 16.175 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.061 0.347 15.684 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -14.734 -1.078 17.152 1.00 0.00 O ATOM 0 H GLU A 62 -16.484 -0.988 11.546 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.290 -0.995 13.857 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.865 -1.741 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.385 -0.085 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.784 0.585 15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.933 -1.126 16.013 1.00 0.00 H new ATOM 1037 N ASP A 63 -17.164 1.820 12.561 1.00 0.00 N ATOM 1038 CA ASP A 63 -17.421 3.289 12.547 1.00 0.00 C ATOM 1039 C ASP A 63 -18.666 3.581 11.712 1.00 0.00 C ATOM 1040 O ASP A 63 -19.716 3.904 12.232 1.00 0.00 O ATOM 1041 CB ASP A 63 -16.218 4.007 11.933 1.00 0.00 C ATOM 1042 CG ASP A 63 -15.434 4.726 13.032 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -15.843 5.811 13.411 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -14.438 4.180 13.474 1.00 0.00 O ATOM 0 H ASP A 63 -16.459 1.497 11.898 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.577 3.641 13.567 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.575 3.290 11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.553 4.724 11.183 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.555 3.469 10.420 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.728 3.739 9.540 1.00 0.00 C ATOM 1051 C GLY A 64 -20.152 5.205 9.678 1.00 0.00 C ATOM 1052 O GLY A 64 -21.206 5.601 9.222 1.00 0.00 O ATOM 0 H GLY A 64 -17.700 3.201 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.474 3.520 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.556 3.084 9.811 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.346 6.010 10.313 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.705 7.440 10.493 1.00 0.00 C ATOM 1058 C ASP A 65 -18.455 8.325 10.418 1.00 0.00 C ATOM 1059 O ASP A 65 -18.525 9.476 10.038 1.00 0.00 O ATOM 1060 CB ASP A 65 -20.341 7.603 11.866 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.261 8.824 11.867 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -20.953 9.774 11.166 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.258 8.789 12.568 1.00 0.00 O ATOM 0 H ASP A 65 -18.450 5.735 10.716 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.394 7.740 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.908 6.708 12.123 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -19.567 7.719 12.625 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.315 7.812 10.801 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.082 8.644 10.774 1.00 0.00 C ATOM 1070 C GLY A 66 -15.388 8.534 9.416 1.00 0.00 C ATOM 1071 O GLY A 66 -15.716 7.698 8.591 1.00 0.00 O ATOM 0 H GLY A 66 -17.187 6.855 11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.335 9.685 10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.402 8.322 11.563 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.429 9.387 9.182 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.702 9.366 7.884 1.00 0.00 C ATOM 1077 C GLU A 67 -12.352 8.666 8.052 1.00 0.00 C ATOM 1078 O GLU A 67 -11.906 8.406 9.152 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.474 10.803 7.416 1.00 0.00 C ATOM 1080 CG GLU A 67 -12.800 11.606 8.531 1.00 0.00 C ATOM 1081 CD GLU A 67 -12.478 13.012 8.025 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -13.411 13.752 7.756 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -11.306 13.327 7.914 1.00 0.00 O ATOM 0 H GLU A 67 -14.117 10.102 9.839 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.294 8.824 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.851 10.810 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.424 11.263 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.455 11.662 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.886 11.106 8.852 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.697 8.364 6.964 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.373 7.686 7.048 1.00 0.00 C ATOM 1092 C CYS A 68 -9.287 8.633 6.538 1.00 0.00 C ATOM 1093 O CYS A 68 -9.566 9.627 5.900 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.395 6.422 6.187 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.274 5.108 7.068 1.00 0.00 S ATOM 0 H CYS A 68 -12.024 8.559 6.017 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.164 7.416 8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.884 6.626 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.377 6.105 5.961 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.667 4.205 6.220 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.049 8.334 6.815 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.948 9.219 6.345 1.00 0.00 C ATOM 1103 C ASP A 69 -6.358 8.648 5.056 1.00 0.00 C ATOM 1104 O ASP A 69 -6.774 7.612 4.577 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.859 9.294 7.417 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.440 9.899 8.696 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.007 10.977 8.614 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.308 9.275 9.735 1.00 0.00 O ATOM 0 H ASP A 69 -7.752 7.515 7.346 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.338 10.219 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.465 8.298 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.026 9.900 7.062 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.385 9.308 4.494 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.768 8.782 3.239 1.00 0.00 C ATOM 1115 C PHE A 70 -3.766 7.692 3.609 1.00 0.00 C ATOM 1116 O PHE A 70 -3.593 6.723 2.895 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.052 9.897 2.453 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.839 11.117 3.318 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -4.886 12.026 3.514 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -2.598 11.340 3.925 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -4.692 13.158 4.315 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -2.403 12.471 4.726 1.00 0.00 C ATOM 1123 CZ PHE A 70 -3.451 13.380 4.921 1.00 0.00 C ATOM 0 H PHE A 70 -4.991 10.182 4.843 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.556 8.380 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.091 9.532 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.642 10.166 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.844 11.854 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.790 10.639 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.500 13.859 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.445 12.643 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.301 14.253 5.539 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.113 7.834 4.729 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.138 6.795 5.153 1.00 0.00 C ATOM 1135 C GLN A 71 -2.906 5.628 5.772 1.00 0.00 C ATOM 1136 O GLN A 71 -2.467 4.496 5.743 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.175 7.389 6.185 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.505 8.633 5.599 1.00 0.00 C ATOM 1139 CD GLN A 71 0.774 8.944 6.378 1.00 0.00 C ATOM 1140 OE1 GLN A 71 0.999 10.071 6.773 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.628 7.986 6.614 1.00 0.00 N ATOM 0 H GLN A 71 -3.213 8.624 5.367 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.565 6.445 4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.715 7.648 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.421 6.652 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.271 8.471 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.187 9.482 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.438 7.040 6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.485 8.183 7.130 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.061 5.895 6.322 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.866 4.802 6.931 1.00 0.00 C ATOM 1152 C GLU A 72 -5.488 3.964 5.814 1.00 0.00 C ATOM 1153 O GLU A 72 -5.325 2.761 5.760 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.972 5.410 7.799 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.512 5.452 9.257 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.451 4.603 10.115 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.639 4.607 9.840 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -5.965 3.964 11.033 1.00 0.00 O ATOM 0 H GLU A 72 -4.480 6.824 6.375 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.230 4.171 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.209 6.416 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.884 4.819 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.491 5.078 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.504 6.481 9.617 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.190 4.594 4.914 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.812 3.841 3.790 1.00 0.00 C ATOM 1167 C PHE A 73 -5.694 3.210 2.948 1.00 0.00 C ATOM 1168 O PHE A 73 -5.893 2.226 2.265 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.670 4.816 2.954 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.103 4.997 1.561 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.049 5.893 1.347 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -7.630 4.267 0.488 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.523 6.059 0.061 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.104 4.434 -0.797 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.050 5.329 -1.011 1.00 0.00 C ATOM 0 H PHE A 73 -6.360 5.600 4.909 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.460 3.045 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.690 4.439 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.720 5.782 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.642 6.456 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.443 3.575 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.710 6.751 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.511 3.872 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.643 5.457 -2.003 1.00 0.00 H new ATOM 1185 N MET A 74 -4.522 3.780 3.000 1.00 0.00 N ATOM 1186 CA MET A 74 -3.382 3.233 2.213 1.00 0.00 C ATOM 1187 C MET A 74 -2.910 1.921 2.841 1.00 0.00 C ATOM 1188 O MET A 74 -2.764 0.918 2.171 1.00 0.00 O ATOM 1189 CB MET A 74 -2.235 4.250 2.225 1.00 0.00 C ATOM 1190 CG MET A 74 -2.196 5.001 0.894 1.00 0.00 C ATOM 1191 SD MET A 74 -0.868 4.334 -0.138 1.00 0.00 S ATOM 1192 CE MET A 74 -1.911 3.317 -1.209 1.00 0.00 C ATOM 0 H MET A 74 -4.304 4.606 3.557 1.00 0.00 H new ATOM 0 HA MET A 74 -3.698 3.046 1.187 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.369 4.954 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.286 3.740 2.394 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.153 4.904 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.035 6.065 1.069 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.471 3.268 -2.205 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.986 2.311 -0.795 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.906 3.758 -1.273 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.676 1.917 4.124 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.220 0.666 4.789 1.00 0.00 C ATOM 1204 C ALA A 75 -3.391 -0.313 4.862 1.00 0.00 C ATOM 1205 O ALA A 75 -3.213 -1.495 5.074 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.727 0.987 6.202 1.00 0.00 C ATOM 0 H ALA A 75 -2.781 2.724 4.739 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.404 0.221 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.393 0.070 6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.897 1.691 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.539 1.429 6.779 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.589 0.173 4.683 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.775 -0.725 4.735 1.00 0.00 C ATOM 1214 C PHE A 76 -5.899 -1.478 3.410 1.00 0.00 C ATOM 1215 O PHE A 76 -6.314 -2.618 3.367 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.036 0.110 4.969 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.492 -0.060 6.399 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.577 0.089 7.446 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.828 -0.371 6.675 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -6.998 -0.071 8.771 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.249 -0.531 8.000 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.334 -0.380 9.049 1.00 0.00 C ATOM 0 H PHE A 76 -4.797 1.155 4.503 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.657 -1.439 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.833 1.161 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.825 -0.203 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.546 0.328 7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.534 -0.488 5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.291 0.044 9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.280 -0.771 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.659 -0.502 10.072 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.539 -0.848 2.326 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.631 -1.525 1.002 1.00 0.00 C ATOM 1234 C VAL A 77 -4.535 -2.586 0.895 1.00 0.00 C ATOM 1235 O VAL A 77 -4.660 -3.551 0.166 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.441 -0.486 -0.102 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.388 -1.184 -1.462 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.613 0.497 -0.079 1.00 0.00 C ATOM 0 H VAL A 77 -5.184 0.108 2.300 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.606 -2.001 0.898 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.508 0.052 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.252 -0.441 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.554 -1.886 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.320 -1.724 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.480 1.240 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.545 -0.044 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.650 0.997 0.889 1.00 0.00 H new ATOM 1248 N SER A 78 -3.458 -2.410 1.606 1.00 0.00 N ATOM 1249 CA SER A 78 -2.345 -3.401 1.535 1.00 0.00 C ATOM 1250 C SER A 78 -2.689 -4.648 2.356 1.00 0.00 C ATOM 1251 O SER A 78 -2.511 -5.764 1.907 1.00 0.00 O ATOM 1252 CB SER A 78 -1.070 -2.766 2.089 1.00 0.00 C ATOM 1253 OG SER A 78 -1.088 -1.370 1.827 1.00 0.00 O ATOM 0 H SER A 78 -3.298 -1.623 2.234 1.00 0.00 H new ATOM 0 HA SER A 78 -2.195 -3.693 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.997 -2.945 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.193 -3.223 1.629 1.00 0.00 H new ATOM 0 HG SER A 78 -0.169 -1.045 1.724 1.00 0.00 H new ATOM 1259 N MET A 79 -3.167 -4.472 3.556 1.00 0.00 N ATOM 1260 CA MET A 79 -3.504 -5.664 4.397 1.00 0.00 C ATOM 1261 C MET A 79 -4.463 -6.574 3.628 1.00 0.00 C ATOM 1262 O MET A 79 -4.234 -7.760 3.491 1.00 0.00 O ATOM 1263 CB MET A 79 -4.178 -5.254 5.722 1.00 0.00 C ATOM 1264 CG MET A 79 -4.010 -3.757 5.991 1.00 0.00 C ATOM 1265 SD MET A 79 -4.740 -3.350 7.597 1.00 0.00 S ATOM 1266 CE MET A 79 -3.212 -3.406 8.562 1.00 0.00 C ATOM 0 H MET A 79 -3.339 -3.566 3.991 1.00 0.00 H new ATOM 0 HA MET A 79 -2.573 -6.182 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.239 -5.502 5.685 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.746 -5.824 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.953 -3.491 5.981 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.492 -3.178 5.203 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.432 -3.180 9.605 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.773 -4.401 8.491 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.508 -2.670 8.172 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.542 -6.030 3.142 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.530 -6.858 2.400 1.00 0.00 C ATOM 1278 C VAL A 80 -5.918 -7.395 1.102 1.00 0.00 C ATOM 1279 O VAL A 80 -6.093 -8.547 0.757 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.750 -6.000 2.075 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.501 -5.676 3.369 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.304 -4.697 1.405 1.00 0.00 C ATOM 0 H VAL A 80 -5.783 -5.043 3.227 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.822 -7.706 3.019 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.405 -6.547 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.373 -5.063 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.823 -6.602 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.842 -5.131 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.178 -4.088 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.647 -4.148 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.769 -4.926 0.483 1.00 0.00 H new ATOM 1292 N THR A 81 -5.216 -6.576 0.372 1.00 0.00 N ATOM 1293 CA THR A 81 -4.616 -7.056 -0.906 1.00 0.00 C ATOM 1294 C THR A 81 -3.475 -8.034 -0.615 1.00 0.00 C ATOM 1295 O THR A 81 -2.896 -8.609 -1.515 1.00 0.00 O ATOM 1296 CB THR A 81 -4.073 -5.863 -1.695 1.00 0.00 C ATOM 1297 OG1 THR A 81 -5.054 -4.837 -1.733 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.737 -6.305 -3.119 1.00 0.00 C ATOM 0 H THR A 81 -5.031 -5.600 0.602 1.00 0.00 H new ATOM 0 HA THR A 81 -5.383 -7.565 -1.490 1.00 0.00 H new ATOM 0 HB THR A 81 -3.172 -5.485 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.086 -4.382 -0.865 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.350 -5.456 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.984 -7.093 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.637 -6.682 -3.605 1.00 0.00 H new ATOM 1306 N THR A 82 -3.145 -8.232 0.630 1.00 0.00 N ATOM 1307 CA THR A 82 -2.040 -9.175 0.958 1.00 0.00 C ATOM 1308 C THR A 82 -2.518 -10.188 2.000 1.00 0.00 C ATOM 1309 O THR A 82 -1.743 -10.952 2.537 1.00 0.00 O ATOM 1310 CB THR A 82 -0.847 -8.390 1.510 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.226 -7.737 2.713 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.402 -7.350 0.482 1.00 0.00 C ATOM 0 H THR A 82 -3.590 -7.784 1.431 1.00 0.00 H new ATOM 0 HA THR A 82 -1.738 -9.706 0.056 1.00 0.00 H new ATOM 0 HB THR A 82 -0.023 -9.075 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.329 -6.777 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.447 -6.791 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.111 -7.852 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.225 -6.665 0.278 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.791 -10.203 2.287 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.317 -11.172 3.288 1.00 0.00 C ATOM 1322 C ALA A 83 -4.498 -12.537 2.621 1.00 0.00 C ATOM 1323 O ALA A 83 -4.638 -13.548 3.279 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.665 -10.677 3.819 1.00 0.00 C ATOM 0 H ALA A 83 -4.489 -9.586 1.871 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.614 -11.261 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.050 -11.386 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.535 -9.703 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.371 -10.589 2.993 1.00 0.00 H new ATOM 1481 N SER B 1 -8.587 -1.266 -13.641 1.00 0.00 N ATOM 1482 CA SER B 1 -8.986 -0.033 -12.905 1.00 0.00 C ATOM 1483 C SER B 1 -7.738 0.653 -12.343 1.00 0.00 C ATOM 1484 O SER B 1 -6.624 0.273 -12.638 1.00 0.00 O ATOM 1485 CB SER B 1 -9.926 -0.405 -11.759 1.00 0.00 C ATOM 1486 OG SER B 1 -9.346 -1.455 -10.999 1.00 0.00 O ATOM 0 H1 SER B 1 -9.171 -1.364 -14.496 1.00 0.00 H new ATOM 0 H2 SER B 1 -7.585 -1.200 -13.912 1.00 0.00 H new ATOM 0 H3 SER B 1 -8.726 -2.096 -13.029 1.00 0.00 H new ATOM 0 HA SER B 1 -9.497 0.647 -13.586 1.00 0.00 H new ATOM 0 HB2 SER B 1 -10.105 0.463 -11.124 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.893 -0.717 -12.153 1.00 0.00 H new ATOM 0 HG SER B 1 -9.946 -1.695 -10.262 1.00 0.00 H new ATOM 1492 N GLU B 2 -7.918 1.665 -11.538 1.00 0.00 N ATOM 1493 CA GLU B 2 -6.744 2.379 -10.960 1.00 0.00 C ATOM 1494 C GLU B 2 -6.193 1.588 -9.772 1.00 0.00 C ATOM 1495 O GLU B 2 -4.998 1.447 -9.607 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.175 3.768 -10.486 1.00 0.00 C ATOM 1497 CG GLU B 2 -8.094 4.403 -11.531 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.379 4.446 -12.882 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.160 4.459 -12.884 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -8.062 4.464 -13.892 1.00 0.00 O ATOM 0 H GLU B 2 -8.828 2.028 -11.256 1.00 0.00 H new ATOM 0 HA GLU B 2 -5.971 2.475 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.692 3.693 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.299 4.397 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.017 3.830 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.371 5.411 -11.222 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.056 1.080 -8.938 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.588 0.307 -7.753 1.00 0.00 C ATOM 1509 C LEU B 3 -6.224 -1.117 -8.168 1.00 0.00 C ATOM 1510 O LEU B 3 -5.189 -1.635 -7.807 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.709 0.249 -6.719 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.118 -0.028 -5.338 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.643 1.284 -4.712 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.188 -0.664 -4.449 1.00 0.00 C ATOM 0 H LEU B 3 -8.069 1.167 -9.026 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.710 0.796 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.257 1.191 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.422 -0.532 -6.984 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.272 -0.708 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.221 1.085 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.882 1.736 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.487 1.967 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.770 -0.863 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.034 0.017 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.524 -1.600 -4.896 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.074 -1.765 -8.906 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.775 -3.164 -9.321 1.00 0.00 C ATOM 1528 C GLU B 4 -5.527 -3.196 -10.207 1.00 0.00 C ATOM 1529 O GLU B 4 -4.720 -4.093 -10.118 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.965 -3.732 -10.095 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.684 -5.189 -10.465 1.00 0.00 C ATOM 1532 CD GLU B 4 -8.307 -5.499 -11.827 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.712 -4.564 -12.495 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -8.369 -6.666 -12.177 1.00 0.00 O ATOM 0 H GLU B 4 -7.962 -1.391 -9.241 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.594 -3.767 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.870 -3.667 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.140 -3.144 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.609 -5.367 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.095 -5.854 -9.705 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.364 -2.233 -11.068 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.165 -2.235 -11.955 1.00 0.00 C ATOM 1543 C LYS B 5 -2.954 -1.694 -11.191 1.00 0.00 C ATOM 1544 O LYS B 5 -1.847 -2.169 -11.348 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.436 -1.355 -13.176 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.581 -1.830 -14.352 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.238 -3.048 -15.005 1.00 0.00 C ATOM 1548 CE LYS B 5 -3.693 -3.225 -16.424 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.293 -4.444 -17.039 1.00 0.00 N ATOM 0 H LYS B 5 -6.003 -1.449 -11.197 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.957 -3.255 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.492 -1.399 -13.441 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.208 -0.315 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.471 -1.028 -15.082 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.579 -2.086 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.039 -3.942 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.320 -2.919 -15.033 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.927 -2.348 -17.027 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.607 -3.314 -16.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.923 -4.564 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.048 -5.278 -16.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.327 -4.341 -17.076 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.154 -0.701 -10.369 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.015 -0.126 -9.598 1.00 0.00 C ATOM 1565 C ALA B 6 -1.712 -1.007 -8.384 1.00 0.00 C ATOM 1566 O ALA B 6 -0.665 -1.615 -8.287 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.391 1.276 -9.120 1.00 0.00 C ATOM 0 H ALA B 6 -4.059 -0.262 -10.197 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.133 -0.078 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.562 1.702 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.607 1.908 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.273 1.219 -8.482 1.00 0.00 H new ATOM 1573 N MET B 7 -2.625 -1.071 -7.459 1.00 0.00 N ATOM 1574 CA MET B 7 -2.414 -1.895 -6.239 1.00 0.00 C ATOM 1575 C MET B 7 -1.881 -3.273 -6.629 1.00 0.00 C ATOM 1576 O MET B 7 -0.874 -3.730 -6.122 1.00 0.00 O ATOM 1577 CB MET B 7 -3.751 -2.061 -5.513 1.00 0.00 C ATOM 1578 CG MET B 7 -3.524 -2.793 -4.192 1.00 0.00 C ATOM 1579 SD MET B 7 -2.321 -1.876 -3.200 1.00 0.00 S ATOM 1580 CE MET B 7 -2.588 -2.767 -1.650 1.00 0.00 C ATOM 0 H MET B 7 -3.519 -0.582 -7.496 1.00 0.00 H new ATOM 0 HA MET B 7 -1.692 -1.401 -5.588 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.200 -1.085 -5.328 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.449 -2.620 -6.136 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.464 -2.887 -3.649 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.162 -3.804 -4.381 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.429 -2.091 -0.810 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.609 -3.148 -1.621 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.888 -3.600 -1.584 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.553 -3.941 -7.519 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.092 -5.295 -7.932 1.00 0.00 C ATOM 1592 C VAL B 8 -0.715 -5.187 -8.590 1.00 0.00 C ATOM 1593 O VAL B 8 0.109 -6.072 -8.470 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.095 -5.902 -8.913 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.717 -7.357 -9.191 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.494 -5.856 -8.295 1.00 0.00 C ATOM 0 H VAL B 8 -3.401 -3.610 -7.979 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.019 -5.938 -7.055 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.083 -5.336 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.431 -7.791 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.717 -7.397 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.733 -7.922 -8.259 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.213 -6.288 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.500 -6.426 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.766 -4.821 -8.087 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.447 -4.106 -9.268 1.00 0.00 N ATOM 1607 CA ALA B 9 0.888 -3.951 -9.908 1.00 0.00 C ATOM 1608 C ALA B 9 1.958 -4.034 -8.823 1.00 0.00 C ATOM 1609 O ALA B 9 2.963 -4.698 -8.979 1.00 0.00 O ATOM 1610 CB ALA B 9 0.971 -2.594 -10.607 1.00 0.00 C ATOM 0 H ALA B 9 -1.091 -3.327 -9.406 1.00 0.00 H new ATOM 0 HA ALA B 9 1.041 -4.738 -10.646 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.950 -2.485 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.195 -2.530 -11.370 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.827 -1.799 -9.876 1.00 0.00 H new ATOM 1616 N LEU B 10 1.742 -3.379 -7.715 1.00 0.00 N ATOM 1617 CA LEU B 10 2.740 -3.441 -6.617 1.00 0.00 C ATOM 1618 C LEU B 10 3.063 -4.908 -6.344 1.00 0.00 C ATOM 1619 O LEU B 10 4.209 -5.293 -6.226 1.00 0.00 O ATOM 1620 CB LEU B 10 2.156 -2.794 -5.358 1.00 0.00 C ATOM 1621 CG LEU B 10 3.097 -1.692 -4.870 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.319 -0.696 -4.009 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.219 -2.316 -4.040 1.00 0.00 C ATOM 0 H LEU B 10 0.920 -2.806 -7.526 1.00 0.00 H new ATOM 0 HA LEU B 10 3.647 -2.906 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.172 -2.378 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.022 -3.544 -4.579 1.00 0.00 H new ATOM 0 HG LEU B 10 3.522 -1.171 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.992 0.088 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.518 -0.252 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.892 -1.214 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.892 -1.533 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.791 -2.836 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.775 -3.025 -4.654 1.00 0.00 H new ATOM 1635 N ILE B 11 2.057 -5.736 -6.265 1.00 0.00 N ATOM 1636 CA ILE B 11 2.302 -7.185 -6.025 1.00 0.00 C ATOM 1637 C ILE B 11 3.310 -7.679 -7.068 1.00 0.00 C ATOM 1638 O ILE B 11 4.228 -8.415 -6.769 1.00 0.00 O ATOM 1639 CB ILE B 11 0.961 -7.941 -6.137 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.450 -8.257 -4.731 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.116 -9.252 -6.921 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.807 -7.433 -4.446 1.00 0.00 C ATOM 0 H ILE B 11 1.076 -5.471 -6.356 1.00 0.00 H new ATOM 0 HA ILE B 11 2.711 -7.360 -5.030 1.00 0.00 H new ATOM 0 HB ILE B 11 0.255 -7.307 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.228 -9.321 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE B 11 1.220 -8.031 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.152 -9.757 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.473 -9.034 -7.927 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.833 -9.897 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.171 -7.659 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.570 -6.371 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.578 -7.681 -5.176 1.00 0.00 H new ATOM 1654 N ASP B 12 3.144 -7.266 -8.292 1.00 0.00 N ATOM 1655 CA ASP B 12 4.087 -7.692 -9.361 1.00 0.00 C ATOM 1656 C ASP B 12 5.518 -7.387 -8.919 1.00 0.00 C ATOM 1657 O ASP B 12 6.391 -8.231 -8.978 1.00 0.00 O ATOM 1658 CB ASP B 12 3.775 -6.919 -10.641 1.00 0.00 C ATOM 1659 CG ASP B 12 4.419 -7.624 -11.835 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.629 -7.545 -11.964 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.691 -8.233 -12.602 1.00 0.00 O ATOM 0 H ASP B 12 2.392 -6.649 -8.599 1.00 0.00 H new ATOM 0 HA ASP B 12 3.981 -8.761 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.696 -6.852 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.150 -5.899 -10.562 1.00 0.00 H new ATOM 1666 N VAL B 13 5.761 -6.184 -8.478 1.00 0.00 N ATOM 1667 CA VAL B 13 7.135 -5.818 -8.032 1.00 0.00 C ATOM 1668 C VAL B 13 7.677 -6.899 -7.094 1.00 0.00 C ATOM 1669 O VAL B 13 8.853 -7.194 -7.091 1.00 0.00 O ATOM 1670 CB VAL B 13 7.098 -4.476 -7.295 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.490 -4.153 -6.749 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.675 -3.370 -8.260 1.00 0.00 C ATOM 0 H VAL B 13 5.068 -5.439 -8.407 1.00 0.00 H new ATOM 0 HA VAL B 13 7.784 -5.735 -8.904 1.00 0.00 H new ATOM 0 HB VAL B 13 6.384 -4.540 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.463 -3.198 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.801 -4.937 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.200 -4.094 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.650 -2.417 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.389 -3.311 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.684 -3.592 -8.656 1.00 0.00 H new ATOM 1682 N PHE B 14 6.832 -7.488 -6.292 1.00 0.00 N ATOM 1683 CA PHE B 14 7.310 -8.545 -5.355 1.00 0.00 C ATOM 1684 C PHE B 14 7.928 -9.699 -6.150 1.00 0.00 C ATOM 1685 O PHE B 14 8.975 -10.209 -5.808 1.00 0.00 O ATOM 1686 CB PHE B 14 6.134 -9.076 -4.530 1.00 0.00 C ATOM 1687 CG PHE B 14 6.587 -9.316 -3.109 1.00 0.00 C ATOM 1688 CD1 PHE B 14 6.988 -8.240 -2.310 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.604 -10.617 -2.592 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.408 -8.463 -0.993 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.024 -10.841 -1.276 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.426 -9.764 -0.477 1.00 0.00 C ATOM 0 H PHE B 14 5.834 -7.284 -6.245 1.00 0.00 H new ATOM 0 HA PHE B 14 8.059 -8.117 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.312 -8.360 -4.546 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.759 -10.002 -4.965 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.974 -7.237 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.293 -11.447 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.718 -7.632 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.038 -11.844 -0.877 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.750 -9.937 0.538 1.00 0.00 H new ATOM 1702 N HIS B 15 7.284 -10.120 -7.203 1.00 0.00 N ATOM 1703 CA HIS B 15 7.832 -11.247 -8.014 1.00 0.00 C ATOM 1704 C HIS B 15 9.152 -10.824 -8.667 1.00 0.00 C ATOM 1705 O HIS B 15 9.903 -11.646 -9.152 1.00 0.00 O ATOM 1706 CB HIS B 15 6.820 -11.628 -9.099 1.00 0.00 C ATOM 1707 CG HIS B 15 7.480 -12.511 -10.124 1.00 0.00 C ATOM 1708 ND1 HIS B 15 7.943 -12.020 -11.334 1.00 0.00 N ATOM 1709 CD2 HIS B 15 7.762 -13.855 -10.134 1.00 0.00 C ATOM 1710 CE1 HIS B 15 8.475 -13.052 -12.015 1.00 0.00 C ATOM 1711 NE2 HIS B 15 8.390 -14.194 -11.328 1.00 0.00 N ATOM 0 H HIS B 15 6.402 -9.733 -7.538 1.00 0.00 H new ATOM 0 HA HIS B 15 8.014 -12.104 -7.366 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.971 -12.146 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.430 -10.729 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.531 -14.545 -9.336 1.00 0.00 H new ATOM 0 HE1 HIS B 15 8.917 -12.967 -12.997 1.00 0.00 H new ATOM 0 HE2 HIS B 15 8.716 -15.117 -11.617 1.00 0.00 H new ATOM 1719 N GLN B 16 9.436 -9.553 -8.690 1.00 0.00 N ATOM 1720 CA GLN B 16 10.702 -9.087 -9.321 1.00 0.00 C ATOM 1721 C GLN B 16 11.825 -9.055 -8.280 1.00 0.00 C ATOM 1722 O GLN B 16 12.821 -9.739 -8.407 1.00 0.00 O ATOM 1723 CB GLN B 16 10.496 -7.681 -9.891 1.00 0.00 C ATOM 1724 CG GLN B 16 11.577 -7.387 -10.931 1.00 0.00 C ATOM 1725 CD GLN B 16 11.321 -8.224 -12.185 1.00 0.00 C ATOM 1726 OE1 GLN B 16 10.375 -8.985 -12.238 1.00 0.00 O ATOM 1727 NE2 GLN B 16 12.128 -8.115 -13.204 1.00 0.00 N ATOM 0 H GLN B 16 8.848 -8.817 -8.300 1.00 0.00 H new ATOM 0 HA GLN B 16 10.977 -9.773 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.509 -7.603 -10.346 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.537 -6.943 -9.090 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.576 -6.326 -11.182 1.00 0.00 H new ATOM 0 HG3 GLN B 16 12.561 -7.616 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN B 16 12.922 -7.476 -13.160 1.00 0.00 H new ATOM 0 HE22 GLN B 16 11.965 -8.668 -14.045 1.00 0.00 H new ATOM 1736 N TYR B 17 11.677 -8.256 -7.260 1.00 0.00 N ATOM 1737 CA TYR B 17 12.737 -8.166 -6.217 1.00 0.00 C ATOM 1738 C TYR B 17 12.801 -9.469 -5.415 1.00 0.00 C ATOM 1739 O TYR B 17 13.829 -10.110 -5.340 1.00 0.00 O ATOM 1740 CB TYR B 17 12.419 -7.004 -5.275 1.00 0.00 C ATOM 1741 CG TYR B 17 12.670 -5.698 -5.986 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.769 -5.246 -6.958 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.804 -4.937 -5.677 1.00 0.00 C ATOM 1744 CE1 TYR B 17 12.002 -4.036 -7.620 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.037 -3.727 -6.338 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.136 -3.276 -7.309 1.00 0.00 C ATOM 1747 OH TYR B 17 13.366 -2.081 -7.961 1.00 0.00 O ATOM 0 H TYR B 17 10.865 -7.659 -7.103 1.00 0.00 H new ATOM 0 HA TYR B 17 13.700 -8.000 -6.699 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.380 -7.059 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.037 -7.068 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.894 -5.832 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.499 -5.285 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.308 -3.688 -8.371 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.912 -3.141 -6.099 1.00 0.00 H new ATOM 0 HH TYR B 17 14.195 -1.680 -7.626 1.00 0.00 H new ATOM 1757 N SER B 18 11.715 -9.862 -4.808 1.00 0.00 N ATOM 1758 CA SER B 18 11.725 -11.117 -4.006 1.00 0.00 C ATOM 1759 C SER B 18 11.961 -12.321 -4.925 1.00 0.00 C ATOM 1760 O SER B 18 12.617 -13.275 -4.558 1.00 0.00 O ATOM 1761 CB SER B 18 10.381 -11.274 -3.294 1.00 0.00 C ATOM 1762 OG SER B 18 10.528 -12.172 -2.201 1.00 0.00 O ATOM 0 H SER B 18 10.822 -9.369 -4.833 1.00 0.00 H new ATOM 0 HA SER B 18 12.527 -11.067 -3.269 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.030 -10.305 -2.938 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.630 -11.650 -3.989 1.00 0.00 H new ATOM 0 HG SER B 18 10.895 -11.691 -1.430 1.00 0.00 H new ATOM 1855 N HIS B 25 8.669 -15.514 -0.955 1.00 0.00 N ATOM 1856 CA HIS B 25 7.674 -15.005 0.031 1.00 0.00 C ATOM 1857 C HIS B 25 8.394 -14.206 1.118 1.00 0.00 C ATOM 1858 O HIS B 25 7.905 -14.059 2.220 1.00 0.00 O ATOM 1859 CB HIS B 25 6.940 -16.186 0.667 1.00 0.00 C ATOM 1860 CG HIS B 25 5.576 -16.315 0.051 1.00 0.00 C ATOM 1861 ND1 HIS B 25 4.729 -17.372 0.342 1.00 0.00 N ATOM 1862 CD2 HIS B 25 4.899 -15.528 -0.846 1.00 0.00 C ATOM 1863 CE1 HIS B 25 3.600 -17.194 -0.367 1.00 0.00 C ATOM 1864 NE2 HIS B 25 3.651 -16.085 -1.108 1.00 0.00 N ATOM 0 HA HIS B 25 6.956 -14.360 -0.476 1.00 0.00 H new ATOM 0 HB2 HIS B 25 7.507 -17.105 0.517 1.00 0.00 H new ATOM 0 HB3 HIS B 25 6.853 -16.037 1.743 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.277 -14.615 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS B 25 2.755 -17.866 -0.340 1.00 0.00 H new ATOM 0 HE2 HIS B 25 2.930 -15.723 -1.732 1.00 0.00 H new ATOM 1872 N LYS B 26 9.555 -13.689 0.819 1.00 0.00 N ATOM 1873 CA LYS B 26 10.304 -12.900 1.839 1.00 0.00 C ATOM 1874 C LYS B 26 11.136 -11.826 1.140 1.00 0.00 C ATOM 1875 O LYS B 26 11.395 -11.899 -0.044 1.00 0.00 O ATOM 1876 CB LYS B 26 11.245 -13.809 2.650 1.00 0.00 C ATOM 1877 CG LYS B 26 11.169 -15.263 2.162 1.00 0.00 C ATOM 1878 CD LYS B 26 10.063 -15.996 2.921 1.00 0.00 C ATOM 1879 CE LYS B 26 10.689 -16.883 3.998 1.00 0.00 C ATOM 1880 NZ LYS B 26 9.835 -18.085 4.211 1.00 0.00 N ATOM 0 H LYS B 26 10.017 -13.779 -0.086 1.00 0.00 H new ATOM 0 HA LYS B 26 9.584 -12.441 2.516 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.269 -13.447 2.563 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.979 -13.763 3.706 1.00 0.00 H new ATOM 0 HG2 LYS B 26 10.969 -15.289 1.091 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.125 -15.762 2.320 1.00 0.00 H new ATOM 0 HD2 LYS B 26 9.382 -15.278 3.377 1.00 0.00 H new ATOM 0 HD3 LYS B 26 9.474 -16.602 2.232 1.00 0.00 H new ATOM 0 HE2 LYS B 26 11.692 -17.185 3.697 1.00 0.00 H new ATOM 0 HE3 LYS B 26 10.790 -16.326 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 10.261 -18.688 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 8.886 -17.787 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 9.761 -18.620 3.322 1.00 0.00 H new ATOM 1894 N LEU B 27 11.564 -10.833 1.868 1.00 0.00 N ATOM 1895 CA LEU B 27 12.389 -9.756 1.258 1.00 0.00 C ATOM 1896 C LEU B 27 13.551 -9.434 2.195 1.00 0.00 C ATOM 1897 O LEU B 27 13.969 -10.257 2.984 1.00 0.00 O ATOM 1898 CB LEU B 27 11.537 -8.500 1.054 1.00 0.00 C ATOM 1899 CG LEU B 27 11.972 -7.790 -0.230 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.130 -8.293 -1.404 1.00 0.00 C ATOM 1901 CD2 LEU B 27 11.771 -6.281 -0.069 1.00 0.00 C ATOM 0 H LEU B 27 11.376 -10.721 2.864 1.00 0.00 H new ATOM 0 HA LEU B 27 12.769 -10.089 0.292 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.482 -8.769 0.994 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.647 -7.831 1.907 1.00 0.00 H new ATOM 0 HG LEU B 27 13.024 -8.000 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.441 -7.787 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.271 -9.368 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.078 -8.084 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.080 -5.773 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.719 -6.073 0.123 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.371 -5.921 0.767 1.00 0.00 H new ATOM 1913 N LYS B 28 14.072 -8.245 2.122 1.00 0.00 N ATOM 1914 CA LYS B 28 15.200 -7.873 3.016 1.00 0.00 C ATOM 1915 C LYS B 28 15.130 -6.377 3.308 1.00 0.00 C ATOM 1916 O LYS B 28 14.676 -5.603 2.494 1.00 0.00 O ATOM 1917 CB LYS B 28 16.529 -8.207 2.335 1.00 0.00 C ATOM 1918 CG LYS B 28 17.219 -9.343 3.092 1.00 0.00 C ATOM 1919 CD LYS B 28 18.636 -9.539 2.547 1.00 0.00 C ATOM 1920 CE LYS B 28 18.579 -10.336 1.241 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.500 -11.505 1.332 1.00 0.00 N ATOM 0 H LYS B 28 13.766 -7.513 1.481 1.00 0.00 H new ATOM 0 HA LYS B 28 15.130 -8.432 3.949 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.356 -8.499 1.299 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.171 -7.326 2.315 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.257 -9.113 4.157 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.647 -10.265 2.985 1.00 0.00 H new ATOM 0 HD2 LYS B 28 19.107 -8.571 2.374 1.00 0.00 H new ATOM 0 HD3 LYS B 28 19.248 -10.065 3.279 1.00 0.00 H new ATOM 0 HE2 LYS B 28 17.560 -10.676 1.054 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.862 -9.701 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 19.462 -12.047 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.472 -11.170 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.210 -12.115 2.123 1.00 0.00 H new ATOM 1935 N LYS B 29 15.566 -5.961 4.463 1.00 0.00 N ATOM 1936 CA LYS B 29 15.513 -4.508 4.791 1.00 0.00 C ATOM 1937 C LYS B 29 16.312 -3.716 3.756 1.00 0.00 C ATOM 1938 O LYS B 29 16.048 -2.558 3.509 1.00 0.00 O ATOM 1939 CB LYS B 29 16.108 -4.271 6.179 1.00 0.00 C ATOM 1940 CG LYS B 29 17.588 -4.651 6.170 1.00 0.00 C ATOM 1941 CD LYS B 29 17.734 -6.129 6.528 1.00 0.00 C ATOM 1942 CE LYS B 29 18.346 -6.890 5.348 1.00 0.00 C ATOM 1943 NZ LYS B 29 19.624 -6.241 4.945 1.00 0.00 N ATOM 0 H LYS B 29 15.955 -6.560 5.191 1.00 0.00 H new ATOM 0 HA LYS B 29 14.474 -4.177 4.779 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.992 -3.225 6.462 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.574 -4.864 6.922 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.018 -4.459 5.187 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.137 -4.037 6.884 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.365 -6.238 7.410 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.760 -6.550 6.779 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.525 -7.929 5.626 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.651 -6.900 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 19.745 -6.322 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.603 -5.236 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.418 -6.710 5.425 1.00 0.00 H new ATOM 1957 N SER B 30 17.296 -4.328 3.154 1.00 0.00 N ATOM 1958 CA SER B 30 18.117 -3.602 2.143 1.00 0.00 C ATOM 1959 C SER B 30 17.352 -3.507 0.820 1.00 0.00 C ATOM 1960 O SER B 30 17.399 -2.499 0.142 1.00 0.00 O ATOM 1961 CB SER B 30 19.430 -4.352 1.919 1.00 0.00 C ATOM 1962 OG SER B 30 20.223 -3.641 0.978 1.00 0.00 O ATOM 0 H SER B 30 17.566 -5.298 3.318 1.00 0.00 H new ATOM 0 HA SER B 30 18.327 -2.597 2.508 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.968 -4.455 2.861 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.229 -5.359 1.555 1.00 0.00 H new ATOM 0 HG SER B 30 21.066 -4.119 0.834 1.00 0.00 H new ATOM 1968 N GLU B 31 16.645 -4.537 0.445 1.00 0.00 N ATOM 1969 CA GLU B 31 15.883 -4.483 -0.831 1.00 0.00 C ATOM 1970 C GLU B 31 14.604 -3.683 -0.603 1.00 0.00 C ATOM 1971 O GLU B 31 13.984 -3.206 -1.530 1.00 0.00 O ATOM 1972 CB GLU B 31 15.533 -5.901 -1.284 1.00 0.00 C ATOM 1973 CG GLU B 31 14.870 -5.848 -2.662 1.00 0.00 C ATOM 1974 CD GLU B 31 15.214 -7.116 -3.444 1.00 0.00 C ATOM 1975 OE1 GLU B 31 14.718 -8.169 -3.076 1.00 0.00 O ATOM 1976 OE2 GLU B 31 15.966 -7.014 -4.398 1.00 0.00 O ATOM 0 H GLU B 31 16.563 -5.410 0.966 1.00 0.00 H new ATOM 0 HA GLU B 31 16.486 -4.006 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.434 -6.514 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.862 -6.369 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU B 31 13.789 -5.757 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU B 31 15.211 -4.968 -3.208 1.00 0.00 H new ATOM 1983 N LEU B 32 14.217 -3.517 0.630 1.00 0.00 N ATOM 1984 CA LEU B 32 12.998 -2.723 0.929 1.00 0.00 C ATOM 1985 C LEU B 32 13.384 -1.248 0.892 1.00 0.00 C ATOM 1986 O LEU B 32 12.726 -0.432 0.278 1.00 0.00 O ATOM 1987 CB LEU B 32 12.473 -3.085 2.319 1.00 0.00 C ATOM 1988 CG LEU B 32 11.318 -2.154 2.689 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.200 -2.297 1.656 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.784 -2.530 4.072 1.00 0.00 C ATOM 0 H LEU B 32 14.696 -3.899 1.446 1.00 0.00 H new ATOM 0 HA LEU B 32 12.217 -2.932 0.198 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.137 -4.122 2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.273 -2.999 3.055 1.00 0.00 H new ATOM 0 HG LEU B 32 11.671 -1.123 2.704 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.375 -1.634 1.918 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.580 -2.031 0.670 1.00 0.00 H new ATOM 0 HD13 LEU B 32 9.846 -3.328 1.643 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.960 -1.867 4.337 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.430 -3.561 4.057 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.581 -2.431 4.809 1.00 0.00 H new ATOM 2002 N LYS B 33 14.470 -0.910 1.532 1.00 0.00 N ATOM 2003 CA LYS B 33 14.939 0.500 1.530 1.00 0.00 C ATOM 2004 C LYS B 33 15.081 0.962 0.084 1.00 0.00 C ATOM 2005 O LYS B 33 14.685 2.052 -0.276 1.00 0.00 O ATOM 2006 CB LYS B 33 16.297 0.574 2.228 1.00 0.00 C ATOM 2007 CG LYS B 33 16.522 1.987 2.770 1.00 0.00 C ATOM 2008 CD LYS B 33 17.567 2.700 1.911 1.00 0.00 C ATOM 2009 CE LYS B 33 18.887 2.783 2.679 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.927 3.404 1.812 1.00 0.00 N ATOM 0 H LYS B 33 15.055 -1.557 2.060 1.00 0.00 H new ATOM 0 HA LYS B 33 14.228 1.138 2.054 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.338 -0.149 3.043 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.091 0.312 1.529 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.586 2.545 2.761 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.856 1.942 3.806 1.00 0.00 H new ATOM 0 HD2 LYS B 33 17.712 2.162 0.974 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.220 3.701 1.653 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.756 3.372 3.587 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.203 1.787 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.825 3.461 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.058 2.825 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.625 4.361 1.538 1.00 0.00 H new ATOM 2024 N GLU B 34 15.631 0.124 -0.750 1.00 0.00 N ATOM 2025 CA GLU B 34 15.788 0.491 -2.181 1.00 0.00 C ATOM 2026 C GLU B 34 14.406 0.488 -2.824 1.00 0.00 C ATOM 2027 O GLU B 34 14.055 1.356 -3.597 1.00 0.00 O ATOM 2028 CB GLU B 34 16.712 -0.532 -2.866 1.00 0.00 C ATOM 2029 CG GLU B 34 15.932 -1.783 -3.284 1.00 0.00 C ATOM 2030 CD GLU B 34 16.799 -2.635 -4.214 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.797 -2.122 -4.694 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.451 -3.784 -4.431 1.00 0.00 O ATOM 0 H GLU B 34 15.979 -0.801 -0.499 1.00 0.00 H new ATOM 0 HA GLU B 34 16.234 1.480 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.176 -0.079 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.518 -0.811 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.649 -2.359 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.009 -1.498 -3.789 1.00 0.00 H new ATOM 2039 N LEU B 35 13.619 -0.490 -2.488 1.00 0.00 N ATOM 2040 CA LEU B 35 12.244 -0.584 -3.045 1.00 0.00 C ATOM 2041 C LEU B 35 11.570 0.788 -2.954 1.00 0.00 C ATOM 2042 O LEU B 35 10.909 1.227 -3.873 1.00 0.00 O ATOM 2043 CB LEU B 35 11.445 -1.604 -2.228 1.00 0.00 C ATOM 2044 CG LEU B 35 10.591 -2.462 -3.162 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.527 -1.589 -3.828 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.481 -3.089 -4.238 1.00 0.00 C ATOM 0 H LEU B 35 13.872 -1.238 -1.843 1.00 0.00 H new ATOM 0 HA LEU B 35 12.284 -0.900 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.124 -2.237 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU B 35 10.808 -1.089 -1.509 1.00 0.00 H new ATOM 0 HG LEU B 35 10.106 -3.250 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.919 -2.201 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.891 -1.143 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.012 -0.800 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.872 -3.700 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.967 -2.301 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.239 -3.713 -3.765 1.00 0.00 H new ATOM 2058 N ILE B 36 11.734 1.466 -1.851 1.00 0.00 N ATOM 2059 CA ILE B 36 11.101 2.808 -1.697 1.00 0.00 C ATOM 2060 C ILE B 36 11.937 3.862 -2.424 1.00 0.00 C ATOM 2061 O ILE B 36 11.474 4.517 -3.335 1.00 0.00 O ATOM 2062 CB ILE B 36 11.024 3.176 -0.212 1.00 0.00 C ATOM 2063 CG1 ILE B 36 10.944 1.899 0.634 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.783 4.037 0.033 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.462 2.240 2.046 1.00 0.00 C ATOM 0 H ILE B 36 12.279 1.149 -1.049 1.00 0.00 H new ATOM 0 HA ILE B 36 10.098 2.775 -2.123 1.00 0.00 H new ATOM 0 HB ILE B 36 11.916 3.736 0.071 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.262 1.187 0.170 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.922 1.421 0.680 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.726 4.300 1.089 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.847 4.946 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.891 3.479 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.407 1.329 2.642 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.160 2.936 2.511 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.474 2.698 1.993 1.00 0.00 H new ATOM 2077 N ASN B 37 13.165 4.038 -2.020 1.00 0.00 N ATOM 2078 CA ASN B 37 14.029 5.058 -2.674 1.00 0.00 C ATOM 2079 C ASN B 37 14.335 4.638 -4.113 1.00 0.00 C ATOM 2080 O ASN B 37 13.959 5.302 -5.055 1.00 0.00 O ATOM 2081 CB ASN B 37 15.339 5.183 -1.894 1.00 0.00 C ATOM 2082 CG ASN B 37 16.160 6.345 -2.452 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.414 6.411 -3.638 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.590 7.274 -1.641 1.00 0.00 N ATOM 0 H ASN B 37 13.608 3.517 -1.263 1.00 0.00 H new ATOM 0 HA ASN B 37 13.510 6.016 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.130 5.347 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.907 4.256 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.138 8.054 -2.004 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.377 7.220 -0.645 1.00 0.00 H new ATOM 2091 N ASN B 38 15.024 3.547 -4.288 1.00 0.00 N ATOM 2092 CA ASN B 38 15.369 3.088 -5.664 1.00 0.00 C ATOM 2093 C ASN B 38 14.174 3.266 -6.606 1.00 0.00 C ATOM 2094 O ASN B 38 14.297 3.829 -7.674 1.00 0.00 O ATOM 2095 CB ASN B 38 15.767 1.611 -5.623 1.00 0.00 C ATOM 2096 CG ASN B 38 16.444 1.233 -6.939 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.615 1.492 -7.130 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.751 0.625 -7.861 1.00 0.00 N ATOM 0 H ASN B 38 15.365 2.950 -3.535 1.00 0.00 H new ATOM 0 HA ASN B 38 16.201 3.687 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.443 1.428 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.886 0.990 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.192 0.367 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.768 0.408 -7.700 1.00 0.00 H new ATOM 2105 N GLU B 39 13.023 2.776 -6.233 1.00 0.00 N ATOM 2106 CA GLU B 39 11.838 2.906 -7.130 1.00 0.00 C ATOM 2107 C GLU B 39 11.198 4.295 -6.990 1.00 0.00 C ATOM 2108 O GLU B 39 11.452 5.183 -7.778 1.00 0.00 O ATOM 2109 CB GLU B 39 10.811 1.829 -6.775 1.00 0.00 C ATOM 2110 CG GLU B 39 11.466 0.449 -6.873 1.00 0.00 C ATOM 2111 CD GLU B 39 11.231 -0.132 -8.268 1.00 0.00 C ATOM 2112 OE1 GLU B 39 11.996 0.194 -9.161 1.00 0.00 O ATOM 2113 OE2 GLU B 39 10.290 -0.892 -8.421 1.00 0.00 O ATOM 0 H GLU B 39 12.852 2.294 -5.351 1.00 0.00 H new ATOM 0 HA GLU B 39 12.166 2.779 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.430 1.992 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.958 1.888 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.535 0.528 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.051 -0.216 -6.116 1.00 0.00 H new ATOM 2120 N LEU B 40 10.357 4.488 -6.007 1.00 0.00 N ATOM 2121 CA LEU B 40 9.693 5.808 -5.835 1.00 0.00 C ATOM 2122 C LEU B 40 10.723 6.934 -5.955 1.00 0.00 C ATOM 2123 O LEU B 40 10.943 7.472 -7.021 1.00 0.00 O ATOM 2124 CB LEU B 40 9.024 5.854 -4.462 1.00 0.00 C ATOM 2125 CG LEU B 40 7.955 4.761 -4.377 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.060 5.009 -3.160 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.098 4.780 -5.645 1.00 0.00 C ATOM 0 H LEU B 40 10.103 3.783 -5.315 1.00 0.00 H new ATOM 0 HA LEU B 40 8.941 5.942 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.768 5.711 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.572 6.832 -4.298 1.00 0.00 H new ATOM 0 HG LEU B 40 8.443 3.791 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.300 4.230 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.666 4.993 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.576 5.981 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.338 4.001 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.614 5.752 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.730 4.600 -6.514 1.00 0.00 H new ATOM 2139 N SER B 41 11.352 7.301 -4.874 1.00 0.00 N ATOM 2140 CA SER B 41 12.361 8.395 -4.936 1.00 0.00 C ATOM 2141 C SER B 41 11.813 9.551 -5.778 1.00 0.00 C ATOM 2142 O SER B 41 12.397 9.936 -6.771 1.00 0.00 O ATOM 2143 CB SER B 41 13.643 7.866 -5.579 1.00 0.00 C ATOM 2144 OG SER B 41 14.583 7.538 -4.562 1.00 0.00 O ATOM 0 H SER B 41 11.211 6.891 -3.951 1.00 0.00 H new ATOM 0 HA SER B 41 12.574 8.749 -3.927 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.423 6.986 -6.183 1.00 0.00 H new ATOM 0 HB3 SER B 41 14.063 8.616 -6.249 1.00 0.00 H new ATOM 0 HG SER B 41 15.120 6.769 -4.848 1.00 0.00 H new ATOM 2150 N HIS B 42 10.697 10.107 -5.391 1.00 0.00 N ATOM 2151 CA HIS B 42 10.118 11.236 -6.174 1.00 0.00 C ATOM 2152 C HIS B 42 9.533 12.276 -5.216 1.00 0.00 C ATOM 2153 O HIS B 42 10.020 13.385 -5.115 1.00 0.00 O ATOM 2154 CB HIS B 42 9.013 10.708 -7.090 1.00 0.00 C ATOM 2155 CG HIS B 42 9.087 11.408 -8.418 1.00 0.00 C ATOM 2156 ND1 HIS B 42 8.092 11.289 -9.373 1.00 0.00 N ATOM 2157 CD2 HIS B 42 10.033 12.238 -8.965 1.00 0.00 C ATOM 2158 CE1 HIS B 42 8.457 12.028 -10.436 1.00 0.00 C ATOM 2159 NE2 HIS B 42 9.633 12.628 -10.239 1.00 0.00 N ATOM 0 H HIS B 42 10.162 9.829 -4.568 1.00 0.00 H new ATOM 0 HA HIS B 42 10.900 11.698 -6.777 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.123 9.632 -7.227 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.037 10.873 -6.633 1.00 0.00 H new ATOM 0 HD2 HIS B 42 10.949 12.542 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS B 42 7.871 12.124 -11.338 1.00 0.00 H new ATOM 0 HE2 HIS B 42 10.131 13.241 -10.884 1.00 0.00 H new ATOM 2167 N PHE B 43 8.490 11.929 -4.512 1.00 0.00 N ATOM 2168 CA PHE B 43 7.876 12.902 -3.563 1.00 0.00 C ATOM 2169 C PHE B 43 8.887 13.258 -2.473 1.00 0.00 C ATOM 2170 O PHE B 43 8.699 14.193 -1.721 1.00 0.00 O ATOM 2171 CB PHE B 43 6.638 12.274 -2.920 1.00 0.00 C ATOM 2172 CG PHE B 43 5.717 11.753 -3.997 1.00 0.00 C ATOM 2173 CD1 PHE B 43 4.972 12.648 -4.773 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.607 10.374 -4.216 1.00 0.00 C ATOM 2175 CE1 PHE B 43 4.118 12.164 -5.770 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.752 9.891 -5.214 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.007 10.785 -5.991 1.00 0.00 C ATOM 0 H PHE B 43 8.037 11.016 -4.552 1.00 0.00 H new ATOM 0 HA PHE B 43 7.589 13.804 -4.103 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.933 11.462 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.119 13.013 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.056 13.711 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.181 9.684 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE B 43 3.544 12.854 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.667 8.828 -5.384 1.00 0.00 H new ATOM 0 HZ PHE B 43 3.347 10.412 -6.760 1.00 0.00 H new ATOM 2187 N LEU B 44 9.956 12.516 -2.379 1.00 0.00 N ATOM 2188 CA LEU B 44 10.976 12.811 -1.335 1.00 0.00 C ATOM 2189 C LEU B 44 11.577 14.197 -1.575 1.00 0.00 C ATOM 2190 O LEU B 44 12.581 14.342 -2.242 1.00 0.00 O ATOM 2191 CB LEU B 44 12.083 11.757 -1.393 1.00 0.00 C ATOM 2192 CG LEU B 44 12.085 10.948 -0.097 1.00 0.00 C ATOM 2193 CD1 LEU B 44 12.438 11.865 1.076 1.00 0.00 C ATOM 2194 CD2 LEU B 44 10.696 10.347 0.128 1.00 0.00 C ATOM 0 H LEU B 44 10.167 11.719 -2.980 1.00 0.00 H new ATOM 0 HA LEU B 44 10.503 12.790 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.927 11.097 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.051 12.238 -1.535 1.00 0.00 H new ATOM 0 HG LEU B 44 12.822 10.148 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.440 11.288 2.001 1.00 0.00 H new ATOM 0 HD12 LEU B 44 13.426 12.297 0.916 1.00 0.00 H new ATOM 0 HD13 LEU B 44 11.700 12.664 1.148 1.00 0.00 H new ATOM 0 HD21 LEU B 44 10.695 9.769 1.052 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.960 11.148 0.200 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.442 9.695 -0.708 1.00 0.00 H new ATOM 2206 N GLU B 45 10.972 15.216 -1.029 1.00 0.00 N ATOM 2207 CA GLU B 45 11.509 16.594 -1.219 1.00 0.00 C ATOM 2208 C GLU B 45 11.521 17.316 0.127 1.00 0.00 C ATOM 2209 O GLU B 45 12.548 17.758 0.600 1.00 0.00 O ATOM 2210 CB GLU B 45 10.619 17.359 -2.199 1.00 0.00 C ATOM 2211 CG GLU B 45 10.548 16.599 -3.525 1.00 0.00 C ATOM 2212 CD GLU B 45 10.813 17.565 -4.680 1.00 0.00 C ATOM 2213 OE1 GLU B 45 11.729 18.362 -4.561 1.00 0.00 O ATOM 2214 OE2 GLU B 45 10.096 17.490 -5.663 1.00 0.00 O ATOM 0 H GLU B 45 10.128 15.154 -0.459 1.00 0.00 H new ATOM 0 HA GLU B 45 12.522 16.541 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.619 17.478 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.017 18.360 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.282 15.793 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.567 16.138 -3.640 1.00 0.00 H new ATOM 2221 N GLU B 46 10.384 17.430 0.747 1.00 0.00 N ATOM 2222 CA GLU B 46 10.314 18.114 2.068 1.00 0.00 C ATOM 2223 C GLU B 46 9.881 17.103 3.129 1.00 0.00 C ATOM 2224 O GLU B 46 10.344 17.127 4.252 1.00 0.00 O ATOM 2225 CB GLU B 46 9.297 19.255 2.002 1.00 0.00 C ATOM 2226 CG GLU B 46 9.867 20.399 1.163 1.00 0.00 C ATOM 2227 CD GLU B 46 8.764 21.418 0.870 1.00 0.00 C ATOM 2228 OE1 GLU B 46 7.742 21.017 0.338 1.00 0.00 O ATOM 2229 OE2 GLU B 46 8.959 22.581 1.185 1.00 0.00 O ATOM 0 H GLU B 46 9.494 17.077 0.395 1.00 0.00 H new ATOM 0 HA GLU B 46 11.292 18.521 2.324 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.364 18.900 1.565 1.00 0.00 H new ATOM 0 HB3 GLU B 46 9.065 19.608 3.007 1.00 0.00 H new ATOM 0 HG2 GLU B 46 10.688 20.879 1.695 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.275 20.011 0.230 1.00 0.00 H new ATOM 2236 N ILE B 47 8.999 16.208 2.774 1.00 0.00 N ATOM 2237 CA ILE B 47 8.535 15.184 3.750 1.00 0.00 C ATOM 2238 C ILE B 47 7.902 15.883 4.963 1.00 0.00 C ATOM 2239 O ILE B 47 8.533 16.671 5.637 1.00 0.00 O ATOM 2240 CB ILE B 47 9.734 14.304 4.166 1.00 0.00 C ATOM 2241 CG1 ILE B 47 9.356 12.832 3.996 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.139 14.557 5.624 1.00 0.00 C ATOM 2243 CD1 ILE B 47 10.388 12.141 3.102 1.00 0.00 C ATOM 0 H ILE B 47 8.579 16.143 1.847 1.00 0.00 H new ATOM 0 HA ILE B 47 7.778 14.543 3.299 1.00 0.00 H new ATOM 0 HB ILE B 47 10.582 14.558 3.530 1.00 0.00 H new ATOM 0 HG12 ILE B 47 9.315 12.341 4.968 1.00 0.00 H new ATOM 0 HG13 ILE B 47 8.363 12.749 3.555 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.986 13.921 5.882 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.420 15.603 5.747 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.299 14.327 6.280 1.00 0.00 H new ATOM 0 HD11 ILE B 47 10.119 11.092 2.980 1.00 0.00 H new ATOM 0 HD12 ILE B 47 10.407 12.626 2.126 1.00 0.00 H new ATOM 0 HD13 ILE B 47 11.374 12.212 3.562 1.00 0.00 H new ATOM 2255 N LYS B 48 6.661 15.595 5.245 1.00 0.00 N ATOM 2256 CA LYS B 48 5.996 16.238 6.412 1.00 0.00 C ATOM 2257 C LYS B 48 5.919 15.239 7.567 1.00 0.00 C ATOM 2258 O LYS B 48 5.788 15.611 8.716 1.00 0.00 O ATOM 2259 CB LYS B 48 4.585 16.679 6.022 1.00 0.00 C ATOM 2260 CG LYS B 48 4.139 17.821 6.938 1.00 0.00 C ATOM 2261 CD LYS B 48 3.340 17.253 8.111 1.00 0.00 C ATOM 2262 CE LYS B 48 1.921 16.927 7.649 1.00 0.00 C ATOM 2263 NZ LYS B 48 1.172 18.194 7.415 1.00 0.00 N ATOM 0 H LYS B 48 6.080 14.943 4.718 1.00 0.00 H new ATOM 0 HA LYS B 48 6.572 17.110 6.722 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.568 17.004 4.982 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.894 15.840 6.105 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.008 18.366 7.306 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.530 18.532 6.380 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.825 16.355 8.494 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.311 17.973 8.928 1.00 0.00 H new ATOM 0 HE2 LYS B 48 1.952 16.336 6.734 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.412 16.324 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.153 18.022 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 1.485 18.914 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 1.354 18.531 6.448 1.00 0.00 H new ATOM 2277 N GLU B 49 6.003 13.971 7.269 1.00 0.00 N ATOM 2278 CA GLU B 49 5.938 12.946 8.347 1.00 0.00 C ATOM 2279 C GLU B 49 7.341 12.397 8.602 1.00 0.00 C ATOM 2280 O GLU B 49 7.617 11.237 8.367 1.00 0.00 O ATOM 2281 CB GLU B 49 5.016 11.805 7.915 1.00 0.00 C ATOM 2282 CG GLU B 49 3.605 12.058 8.449 1.00 0.00 C ATOM 2283 CD GLU B 49 3.586 11.833 9.961 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.581 11.361 10.483 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.575 12.137 10.572 1.00 0.00 O ATOM 0 H GLU B 49 6.114 13.601 6.325 1.00 0.00 H new ATOM 0 HA GLU B 49 5.548 13.399 9.259 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.997 11.731 6.828 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.394 10.855 8.293 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.294 13.077 8.218 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.895 11.390 7.962 1.00 0.00 H new ATOM 2292 N GLN B 50 8.232 13.220 9.080 1.00 0.00 N ATOM 2293 CA GLN B 50 9.616 12.744 9.348 1.00 0.00 C ATOM 2294 C GLN B 50 9.563 11.488 10.218 1.00 0.00 C ATOM 2295 O GLN B 50 10.490 10.706 10.248 1.00 0.00 O ATOM 2296 CB GLN B 50 10.399 13.838 10.077 1.00 0.00 C ATOM 2297 CG GLN B 50 11.704 13.255 10.624 1.00 0.00 C ATOM 2298 CD GLN B 50 11.594 13.092 12.140 1.00 0.00 C ATOM 2299 OE1 GLN B 50 11.202 12.049 12.624 1.00 0.00 O ATOM 2300 NE2 GLN B 50 11.926 14.087 12.917 1.00 0.00 N ATOM 0 H GLN B 50 8.061 14.202 9.297 1.00 0.00 H new ATOM 0 HA GLN B 50 10.110 12.511 8.405 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.614 14.661 9.396 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.801 14.246 10.892 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.908 12.291 10.158 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.539 13.911 10.378 1.00 0.00 H new ATOM 0 HE21 GLN B 50 12.255 14.963 12.511 1.00 0.00 H new ATOM 0 HE22 GLN B 50 11.856 13.988 13.930 1.00 0.00 H new ATOM 2309 N GLU B 51 8.489 11.289 10.929 1.00 0.00 N ATOM 2310 CA GLU B 51 8.386 10.084 11.797 1.00 0.00 C ATOM 2311 C GLU B 51 8.005 8.870 10.949 1.00 0.00 C ATOM 2312 O GLU B 51 8.471 7.772 11.176 1.00 0.00 O ATOM 2313 CB GLU B 51 7.318 10.315 12.869 1.00 0.00 C ATOM 2314 CG GLU B 51 7.974 10.305 14.251 1.00 0.00 C ATOM 2315 CD GLU B 51 7.195 9.372 15.181 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.979 9.366 15.097 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.830 8.680 15.959 1.00 0.00 O ATOM 0 H GLU B 51 7.679 11.908 10.947 1.00 0.00 H new ATOM 0 HA GLU B 51 9.348 9.902 12.276 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.817 11.268 12.699 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.555 9.539 12.811 1.00 0.00 H new ATOM 0 HG2 GLU B 51 9.009 9.974 14.171 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.993 11.314 14.663 1.00 0.00 H new ATOM 2324 N VAL B 52 7.161 9.055 9.972 1.00 0.00 N ATOM 2325 CA VAL B 52 6.754 7.907 9.113 1.00 0.00 C ATOM 2326 C VAL B 52 7.948 7.444 8.280 1.00 0.00 C ATOM 2327 O VAL B 52 8.242 6.267 8.202 1.00 0.00 O ATOM 2328 CB VAL B 52 5.619 8.343 8.186 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.280 7.205 7.221 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.384 8.685 9.020 1.00 0.00 C ATOM 0 H VAL B 52 6.736 9.950 9.731 1.00 0.00 H new ATOM 0 HA VAL B 52 6.413 7.085 9.742 1.00 0.00 H new ATOM 0 HB VAL B 52 5.931 9.220 7.619 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.471 7.517 6.561 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.159 6.958 6.626 1.00 0.00 H new ATOM 0 HG13 VAL B 52 4.968 6.328 7.788 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.574 8.996 8.360 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.073 7.807 9.587 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.623 9.496 9.708 1.00 0.00 H new ATOM 2340 N VAL B 53 8.641 8.355 7.657 1.00 0.00 N ATOM 2341 CA VAL B 53 9.815 7.959 6.834 1.00 0.00 C ATOM 2342 C VAL B 53 10.971 7.581 7.757 1.00 0.00 C ATOM 2343 O VAL B 53 11.741 6.686 7.470 1.00 0.00 O ATOM 2344 CB VAL B 53 10.229 9.129 5.939 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.463 8.742 5.124 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.079 9.470 4.990 1.00 0.00 C ATOM 0 H VAL B 53 8.445 9.356 7.682 1.00 0.00 H new ATOM 0 HA VAL B 53 9.555 7.105 6.209 1.00 0.00 H new ATOM 0 HB VAL B 53 10.463 9.995 6.558 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.755 9.577 4.488 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.283 8.496 5.799 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.232 7.876 4.503 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.370 10.303 4.350 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.847 8.602 4.372 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.199 9.748 5.570 1.00 0.00 H new ATOM 2356 N ASP B 54 11.094 8.248 8.869 1.00 0.00 N ATOM 2357 CA ASP B 54 12.191 7.917 9.815 1.00 0.00 C ATOM 2358 C ASP B 54 11.843 6.621 10.542 1.00 0.00 C ATOM 2359 O ASP B 54 12.693 5.980 11.124 1.00 0.00 O ATOM 2360 CB ASP B 54 12.352 9.048 10.834 1.00 0.00 C ATOM 2361 CG ASP B 54 13.516 8.729 11.772 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.604 8.494 11.274 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.300 8.726 12.973 1.00 0.00 O ATOM 0 H ASP B 54 10.481 9.009 9.163 1.00 0.00 H new ATOM 0 HA ASP B 54 13.125 7.795 9.267 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.534 9.992 10.320 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.433 9.169 11.407 1.00 0.00 H new ATOM 2368 N LYS B 55 10.598 6.226 10.513 1.00 0.00 N ATOM 2369 CA LYS B 55 10.202 4.967 11.205 1.00 0.00 C ATOM 2370 C LYS B 55 10.573 3.768 10.331 1.00 0.00 C ATOM 2371 O LYS B 55 11.179 2.820 10.791 1.00 0.00 O ATOM 2372 CB LYS B 55 8.692 4.970 11.452 1.00 0.00 C ATOM 2373 CG LYS B 55 8.416 5.277 12.927 1.00 0.00 C ATOM 2374 CD LYS B 55 7.007 5.857 13.075 1.00 0.00 C ATOM 2375 CE LYS B 55 5.992 4.716 13.165 1.00 0.00 C ATOM 2376 NZ LYS B 55 4.943 5.064 14.165 1.00 0.00 N ATOM 0 H LYS B 55 9.841 6.720 10.041 1.00 0.00 H new ATOM 0 HA LYS B 55 10.724 4.898 12.159 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.211 5.715 10.818 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.267 4.002 11.185 1.00 0.00 H new ATOM 0 HG2 LYS B 55 8.511 4.369 13.522 1.00 0.00 H new ATOM 0 HG3 LYS B 55 9.153 5.985 13.306 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.950 6.479 13.968 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.775 6.498 12.224 1.00 0.00 H new ATOM 0 HE2 LYS B 55 5.537 4.542 12.190 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.492 3.791 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.252 4.289 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.385 5.210 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 4.459 5.936 13.871 1.00 0.00 H new ATOM 2390 N VAL B 56 10.222 3.798 9.075 1.00 0.00 N ATOM 2391 CA VAL B 56 10.563 2.656 8.185 1.00 0.00 C ATOM 2392 C VAL B 56 12.062 2.680 7.892 1.00 0.00 C ATOM 2393 O VAL B 56 12.706 1.656 7.791 1.00 0.00 O ATOM 2394 CB VAL B 56 9.785 2.776 6.876 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.344 2.313 7.091 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.780 4.233 6.405 1.00 0.00 C ATOM 0 H VAL B 56 9.715 4.562 8.629 1.00 0.00 H new ATOM 0 HA VAL B 56 10.299 1.719 8.675 1.00 0.00 H new ATOM 0 HB VAL B 56 10.263 2.152 6.121 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.791 2.399 6.156 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.341 1.274 7.420 1.00 0.00 H new ATOM 0 HG13 VAL B 56 7.871 2.935 7.851 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.224 4.312 5.471 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.308 4.859 7.162 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.805 4.567 6.246 1.00 0.00 H new ATOM 2406 N MET B 57 12.619 3.849 7.764 1.00 0.00 N ATOM 2407 CA MET B 57 14.075 3.959 7.486 1.00 0.00 C ATOM 2408 C MET B 57 14.851 3.588 8.748 1.00 0.00 C ATOM 2409 O MET B 57 15.976 3.138 8.684 1.00 0.00 O ATOM 2410 CB MET B 57 14.399 5.399 7.085 1.00 0.00 C ATOM 2411 CG MET B 57 15.791 5.462 6.457 1.00 0.00 C ATOM 2412 SD MET B 57 15.856 4.374 5.009 1.00 0.00 S ATOM 2413 CE MET B 57 14.719 5.311 3.957 1.00 0.00 C ATOM 0 H MET B 57 12.125 4.738 7.840 1.00 0.00 H new ATOM 0 HA MET B 57 14.355 3.286 6.676 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.654 5.765 6.378 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.355 6.048 7.959 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.023 6.486 6.165 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.543 5.160 7.185 1.00 0.00 H new ATOM 0 HE1 MET B 57 15.119 5.362 2.944 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.748 4.816 3.939 1.00 0.00 H new ATOM 0 HE3 MET B 57 14.604 6.320 4.353 1.00 0.00 H new ATOM 2423 N GLU B 58 14.256 3.763 9.897 1.00 0.00 N ATOM 2424 CA GLU B 58 14.964 3.404 11.158 1.00 0.00 C ATOM 2425 C GLU B 58 14.978 1.883 11.298 1.00 0.00 C ATOM 2426 O GLU B 58 16.009 1.282 11.523 1.00 0.00 O ATOM 2427 CB GLU B 58 14.242 4.022 12.357 1.00 0.00 C ATOM 2428 CG GLU B 58 14.929 5.333 12.748 1.00 0.00 C ATOM 2429 CD GLU B 58 14.764 5.567 14.251 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.632 5.671 14.693 1.00 0.00 O ATOM 2431 OE2 GLU B 58 15.771 5.638 14.933 1.00 0.00 O ATOM 0 H GLU B 58 13.315 4.137 10.016 1.00 0.00 H new ATOM 0 HA GLU B 58 15.984 3.786 11.126 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.197 4.207 12.110 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.253 3.329 13.198 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.987 5.293 12.489 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.496 6.163 12.190 1.00 0.00 H new ATOM 2438 N THR B 59 13.844 1.251 11.151 1.00 0.00 N ATOM 2439 CA THR B 59 13.809 -0.233 11.259 1.00 0.00 C ATOM 2440 C THR B 59 14.623 -0.813 10.105 1.00 0.00 C ATOM 2441 O THR B 59 15.158 -1.901 10.183 1.00 0.00 O ATOM 2442 CB THR B 59 12.362 -0.723 11.166 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.523 0.139 11.924 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.267 -2.146 11.718 1.00 0.00 C ATOM 0 H THR B 59 12.946 1.697 10.962 1.00 0.00 H new ATOM 0 HA THR B 59 14.226 -0.552 12.214 1.00 0.00 H new ATOM 0 HB THR B 59 12.042 -0.719 10.124 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.333 0.949 11.406 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.236 -2.494 11.651 1.00 0.00 H new ATOM 0 HG22 THR B 59 12.911 -2.806 11.136 1.00 0.00 H new ATOM 0 HG23 THR B 59 12.586 -2.154 12.760 1.00 0.00 H new ATOM 2452 N LEU B 60 14.723 -0.076 9.035 1.00 0.00 N ATOM 2453 CA LEU B 60 15.504 -0.544 7.860 1.00 0.00 C ATOM 2454 C LEU B 60 16.990 -0.581 8.223 1.00 0.00 C ATOM 2455 O LEU B 60 17.657 -1.585 8.066 1.00 0.00 O ATOM 2456 CB LEU B 60 15.281 0.438 6.708 1.00 0.00 C ATOM 2457 CG LEU B 60 14.128 -0.054 5.836 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.859 0.959 4.723 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.495 -1.405 5.217 1.00 0.00 C ATOM 0 H LEU B 60 14.291 0.841 8.925 1.00 0.00 H new ATOM 0 HA LEU B 60 15.183 -1.543 7.566 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.057 1.430 7.100 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.189 0.528 6.112 1.00 0.00 H new ATOM 0 HG LEU B 60 13.234 -0.166 6.449 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.036 0.607 4.101 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.596 1.921 5.163 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.753 1.073 4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.672 -1.756 4.595 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.390 -1.294 4.605 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.685 -2.129 6.010 1.00 0.00 H new ATOM 2471 N ASP B 61 17.506 0.514 8.707 1.00 0.00 N ATOM 2472 CA ASP B 61 18.946 0.570 9.086 1.00 0.00 C ATOM 2473 C ASP B 61 19.147 -0.075 10.458 1.00 0.00 C ATOM 2474 O ASP B 61 20.259 -0.256 10.910 1.00 0.00 O ATOM 2475 CB ASP B 61 19.390 2.033 9.147 1.00 0.00 C ATOM 2476 CG ASP B 61 20.797 2.166 8.564 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.920 2.131 7.351 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.728 2.301 9.339 1.00 0.00 O ATOM 0 H ASP B 61 16.988 1.380 8.858 1.00 0.00 H new ATOM 0 HA ASP B 61 19.537 0.031 8.345 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.693 2.659 8.589 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.378 2.385 10.179 1.00 0.00 H new ATOM 2483 N GLU B 62 18.082 -0.418 11.127 1.00 0.00 N ATOM 2484 CA GLU B 62 18.222 -1.046 12.471 1.00 0.00 C ATOM 2485 C GLU B 62 18.537 -2.533 12.312 1.00 0.00 C ATOM 2486 O GLU B 62 19.399 -3.071 12.979 1.00 0.00 O ATOM 2487 CB GLU B 62 16.919 -0.879 13.255 1.00 0.00 C ATOM 2488 CG GLU B 62 17.122 -1.376 14.686 1.00 0.00 C ATOM 2489 CD GLU B 62 15.768 -1.472 15.392 1.00 0.00 C ATOM 2490 OE1 GLU B 62 14.890 -2.128 14.857 1.00 0.00 O ATOM 2491 OE2 GLU B 62 15.634 -0.889 16.454 1.00 0.00 O ATOM 0 H GLU B 62 17.123 -0.291 10.803 1.00 0.00 H new ATOM 0 HA GLU B 62 19.034 -0.560 13.013 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.617 0.168 13.261 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.117 -1.439 12.774 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.609 -2.351 14.678 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.779 -0.696 15.228 1.00 0.00 H new ATOM 2498 N ASP B 63 17.842 -3.200 11.436 1.00 0.00 N ATOM 2499 CA ASP B 63 18.095 -4.655 11.231 1.00 0.00 C ATOM 2500 C ASP B 63 19.300 -4.840 10.310 1.00 0.00 C ATOM 2501 O ASP B 63 20.371 -5.221 10.738 1.00 0.00 O ATOM 2502 CB ASP B 63 16.863 -5.298 10.590 1.00 0.00 C ATOM 2503 CG ASP B 63 16.130 -6.148 11.628 1.00 0.00 C ATOM 2504 OD1 ASP B 63 16.553 -7.269 11.852 1.00 0.00 O ATOM 2505 OD2 ASP B 63 15.156 -5.663 12.180 1.00 0.00 O ATOM 0 H ASP B 63 17.108 -2.801 10.851 1.00 0.00 H new ATOM 0 HA ASP B 63 18.297 -5.128 12.192 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.198 -4.527 10.202 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.162 -5.917 9.744 1.00 0.00 H new ATOM 2510 N GLY B 64 19.129 -4.573 9.048 1.00 0.00 N ATOM 2511 CA GLY B 64 20.259 -4.731 8.087 1.00 0.00 C ATOM 2512 C GLY B 64 20.686 -6.200 8.025 1.00 0.00 C ATOM 2513 O GLY B 64 21.717 -6.534 7.475 1.00 0.00 O ATOM 0 H GLY B 64 18.253 -4.251 8.636 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.957 -4.389 7.097 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.101 -4.111 8.396 1.00 0.00 H new ATOM 2517 N ASP B 65 19.909 -7.079 8.594 1.00 0.00 N ATOM 2518 CA ASP B 65 20.273 -8.520 8.581 1.00 0.00 C ATOM 2519 C ASP B 65 19.018 -9.393 8.457 1.00 0.00 C ATOM 2520 O ASP B 65 19.068 -10.489 7.935 1.00 0.00 O ATOM 2521 CB ASP B 65 20.970 -8.845 9.892 1.00 0.00 C ATOM 2522 CG ASP B 65 21.888 -10.054 9.701 1.00 0.00 C ATOM 2523 OD1 ASP B 65 21.546 -10.912 8.904 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.916 -10.100 10.354 1.00 0.00 O ATOM 0 H ASP B 65 19.034 -6.858 9.069 1.00 0.00 H new ATOM 0 HA ASP B 65 20.924 -8.721 7.730 1.00 0.00 H new ATOM 0 HB2 ASP B 65 21.549 -7.986 10.230 1.00 0.00 H new ATOM 0 HB3 ASP B 65 20.231 -9.055 10.665 1.00 0.00 H new ATOM 2529 N GLY B 66 17.899 -8.933 8.953 1.00 0.00 N ATOM 2530 CA GLY B 66 16.665 -9.759 8.881 1.00 0.00 C ATOM 2531 C GLY B 66 15.908 -9.489 7.580 1.00 0.00 C ATOM 2532 O GLY B 66 16.200 -8.559 6.848 1.00 0.00 O ATOM 0 H GLY B 66 17.790 -8.024 9.403 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.925 -10.816 8.944 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.023 -9.537 9.734 1.00 0.00 H new ATOM 2536 N GLU B 67 14.937 -10.310 7.287 1.00 0.00 N ATOM 2537 CA GLU B 67 14.150 -10.134 6.038 1.00 0.00 C ATOM 2538 C GLU B 67 12.811 -9.466 6.352 1.00 0.00 C ATOM 2539 O GLU B 67 12.417 -9.341 7.495 1.00 0.00 O ATOM 2540 CB GLU B 67 13.897 -11.506 5.407 1.00 0.00 C ATOM 2541 CG GLU B 67 13.275 -12.441 6.446 1.00 0.00 C ATOM 2542 CD GLU B 67 12.926 -13.777 5.788 1.00 0.00 C ATOM 2543 OE1 GLU B 67 13.844 -14.474 5.387 1.00 0.00 O ATOM 2544 OE2 GLU B 67 11.749 -14.080 5.694 1.00 0.00 O ATOM 0 H GLU B 67 14.654 -11.101 7.866 1.00 0.00 H new ATOM 0 HA GLU B 67 14.709 -9.503 5.346 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.233 -11.406 4.549 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.833 -11.926 5.038 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.971 -12.600 7.270 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.379 -11.987 6.869 1.00 0.00 H new ATOM 2551 N CYS B 68 12.108 -9.037 5.340 1.00 0.00 N ATOM 2552 CA CYS B 68 10.790 -8.378 5.568 1.00 0.00 C ATOM 2553 C CYS B 68 9.680 -9.261 4.997 1.00 0.00 C ATOM 2554 O CYS B 68 9.927 -10.169 4.230 1.00 0.00 O ATOM 2555 CB CYS B 68 10.775 -7.018 4.867 1.00 0.00 C ATOM 2556 SG CYS B 68 11.697 -5.820 5.862 1.00 0.00 S ATOM 0 H CYS B 68 12.390 -9.114 4.363 1.00 0.00 H new ATOM 0 HA CYS B 68 10.629 -8.236 6.637 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.219 -7.103 3.875 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.748 -6.679 4.728 1.00 0.00 H new ATOM 0 HG CYS B 68 12.054 -4.818 5.114 1.00 0.00 H new ATOM 2562 N ASP B 69 8.457 -9.001 5.366 1.00 0.00 N ATOM 2563 CA ASP B 69 7.334 -9.827 4.843 1.00 0.00 C ATOM 2564 C ASP B 69 6.686 -9.106 3.662 1.00 0.00 C ATOM 2565 O ASP B 69 7.081 -8.017 3.295 1.00 0.00 O ATOM 2566 CB ASP B 69 6.295 -10.035 5.947 1.00 0.00 C ATOM 2567 CG ASP B 69 6.933 -10.789 7.115 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.493 -11.846 6.877 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.851 -10.296 8.228 1.00 0.00 O ATOM 0 H ASP B 69 8.187 -8.254 6.006 1.00 0.00 H new ATOM 0 HA ASP B 69 7.713 -10.795 4.517 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.913 -9.072 6.287 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.445 -10.596 5.559 1.00 0.00 H new ATOM 2574 N PHE B 70 5.687 -9.697 3.070 1.00 0.00 N ATOM 2575 CA PHE B 70 5.012 -9.025 1.918 1.00 0.00 C ATOM 2576 C PHE B 70 4.031 -7.990 2.465 1.00 0.00 C ATOM 2577 O PHE B 70 3.829 -6.943 1.886 1.00 0.00 O ATOM 2578 CB PHE B 70 4.258 -10.038 1.036 1.00 0.00 C ATOM 2579 CG PHE B 70 4.084 -11.355 1.755 1.00 0.00 C ATOM 2580 CD1 PHE B 70 5.137 -12.277 1.789 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.871 -11.653 2.387 1.00 0.00 C ATOM 2582 CE1 PHE B 70 4.977 -13.498 2.455 1.00 0.00 C ATOM 2583 CE2 PHE B 70 2.711 -12.874 3.051 1.00 0.00 C ATOM 2584 CZ PHE B 70 3.764 -13.796 3.086 1.00 0.00 C ATOM 0 H PHE B 70 5.309 -10.608 3.328 1.00 0.00 H new ATOM 0 HA PHE B 70 5.770 -8.546 1.298 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.282 -9.635 0.766 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.806 -10.196 0.107 1.00 0.00 H new ATOM 0 HD1 PHE B 70 6.073 -12.046 1.301 1.00 0.00 H new ATOM 0 HD2 PHE B 70 2.059 -10.941 2.362 1.00 0.00 H new ATOM 0 HE1 PHE B 70 5.789 -14.209 2.482 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.775 -13.105 3.537 1.00 0.00 H new ATOM 0 HZ PHE B 70 3.640 -14.738 3.600 1.00 0.00 H new ATOM 2594 N GLN B 71 3.431 -8.270 3.588 1.00 0.00 N ATOM 2595 CA GLN B 71 2.479 -7.294 4.181 1.00 0.00 C ATOM 2596 C GLN B 71 3.277 -6.207 4.901 1.00 0.00 C ATOM 2597 O GLN B 71 2.840 -5.082 5.031 1.00 0.00 O ATOM 2598 CB GLN B 71 1.563 -8.010 5.176 1.00 0.00 C ATOM 2599 CG GLN B 71 0.865 -9.176 4.475 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.378 -9.584 5.267 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.589 -10.751 5.530 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.218 -8.665 5.661 1.00 0.00 N ATOM 0 H GLN B 71 3.559 -9.131 4.119 1.00 0.00 H new ATOM 0 HA GLN B 71 1.868 -6.846 3.398 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.143 -8.375 6.023 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.823 -7.314 5.572 1.00 0.00 H new ATOM 0 HG2 GLN B 71 0.584 -8.888 3.462 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.547 -10.022 4.389 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -1.042 -7.685 5.441 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.050 -8.927 6.189 1.00 0.00 H new ATOM 2611 N GLU B 72 4.457 -6.536 5.361 1.00 0.00 N ATOM 2612 CA GLU B 72 5.290 -5.521 6.062 1.00 0.00 C ATOM 2613 C GLU B 72 5.862 -4.551 5.027 1.00 0.00 C ATOM 2614 O GLU B 72 5.699 -3.351 5.129 1.00 0.00 O ATOM 2615 CB GLU B 72 6.433 -6.224 6.796 1.00 0.00 C ATOM 2616 CG GLU B 72 6.042 -6.445 8.258 1.00 0.00 C ATOM 2617 CD GLU B 72 7.022 -5.702 9.168 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.195 -5.670 8.839 1.00 0.00 O ATOM 2619 OE2 GLU B 72 6.582 -5.181 10.180 1.00 0.00 O ATOM 0 H GLU B 72 4.876 -7.462 5.280 1.00 0.00 H new ATOM 0 HA GLU B 72 4.683 -4.973 6.783 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.652 -7.179 6.319 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.340 -5.623 6.738 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.027 -6.088 8.432 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.050 -7.510 8.490 1.00 0.00 H new ATOM 2626 N PHE B 73 6.519 -5.065 4.025 1.00 0.00 N ATOM 2627 CA PHE B 73 7.090 -4.179 2.974 1.00 0.00 C ATOM 2628 C PHE B 73 5.936 -3.454 2.268 1.00 0.00 C ATOM 2629 O PHE B 73 6.104 -2.394 1.701 1.00 0.00 O ATOM 2630 CB PHE B 73 7.906 -5.043 1.986 1.00 0.00 C ATOM 2631 CG PHE B 73 7.276 -5.055 0.609 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.211 -5.922 0.336 1.00 0.00 C ATOM 2633 CD2 PHE B 73 7.754 -4.200 -0.389 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.625 -5.934 -0.934 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.168 -4.210 -1.660 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.104 -5.078 -1.933 1.00 0.00 C ATOM 0 H PHE B 73 6.685 -6.062 3.889 1.00 0.00 H new ATOM 0 HA PHE B 73 7.756 -3.431 3.405 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.923 -4.658 1.919 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.976 -6.063 2.364 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.842 -6.582 1.107 1.00 0.00 H new ATOM 0 HD2 PHE B 73 8.576 -3.532 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.804 -6.603 -1.144 1.00 0.00 H new ATOM 0 HE2 PHE B 73 7.537 -3.548 -2.430 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.653 -5.087 -2.914 1.00 0.00 H new ATOM 2646 N MET B 74 4.767 -4.031 2.305 1.00 0.00 N ATOM 2647 CA MET B 74 3.593 -3.398 1.644 1.00 0.00 C ATOM 2648 C MET B 74 3.155 -2.172 2.448 1.00 0.00 C ATOM 2649 O MET B 74 2.980 -1.095 1.914 1.00 0.00 O ATOM 2650 CB MET B 74 2.446 -4.410 1.585 1.00 0.00 C ATOM 2651 CG MET B 74 2.343 -4.997 0.176 1.00 0.00 C ATOM 2652 SD MET B 74 0.971 -4.214 -0.705 1.00 0.00 S ATOM 2653 CE MET B 74 1.965 -3.069 -1.691 1.00 0.00 C ATOM 0 H MET B 74 4.574 -4.919 2.768 1.00 0.00 H new ATOM 0 HA MET B 74 3.861 -3.089 0.634 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.615 -5.207 2.309 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.508 -3.926 1.856 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.275 -4.837 -0.365 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.187 -6.074 0.230 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.602 -3.064 -2.719 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.885 -2.065 -1.273 1.00 0.00 H new ATOM 0 HE3 MET B 74 3.008 -3.387 -1.676 1.00 0.00 H new ATOM 2663 N ALA B 75 2.979 -2.325 3.732 1.00 0.00 N ATOM 2664 CA ALA B 75 2.557 -1.166 4.566 1.00 0.00 C ATOM 2665 C ALA B 75 3.732 -0.199 4.705 1.00 0.00 C ATOM 2666 O ALA B 75 3.566 0.949 5.068 1.00 0.00 O ATOM 2667 CB ALA B 75 2.129 -1.657 5.950 1.00 0.00 C ATOM 0 H ALA B 75 3.109 -3.201 4.238 1.00 0.00 H new ATOM 0 HA ALA B 75 1.717 -0.659 4.092 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.821 -0.807 6.558 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.295 -2.352 5.848 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.966 -2.163 6.431 1.00 0.00 H new ATOM 2673 N PHE B 76 4.919 -0.655 4.410 1.00 0.00 N ATOM 2674 CA PHE B 76 6.108 0.235 4.518 1.00 0.00 C ATOM 2675 C PHE B 76 6.173 1.143 3.289 1.00 0.00 C ATOM 2676 O PHE B 76 6.589 2.282 3.368 1.00 0.00 O ATOM 2677 CB PHE B 76 7.377 -0.618 4.590 1.00 0.00 C ATOM 2678 CG PHE B 76 7.899 -0.621 6.005 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.034 -0.900 7.068 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.248 -0.342 6.255 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.515 -0.899 8.381 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.731 -0.342 7.570 1.00 0.00 C ATOM 2683 CZ PHE B 76 8.864 -0.622 8.633 1.00 0.00 C ATOM 0 H PHE B 76 5.116 -1.606 4.099 1.00 0.00 H new ATOM 0 HA PHE B 76 6.029 0.844 5.418 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.162 -1.637 4.268 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.133 -0.222 3.912 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.994 -1.116 6.875 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.916 -0.127 5.434 1.00 0.00 H new ATOM 0 HE1 PHE B 76 6.845 -1.112 9.201 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.771 -0.126 7.764 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.236 -0.624 9.647 1.00 0.00 H new ATOM 2693 N VAL B 77 5.761 0.648 2.156 1.00 0.00 N ATOM 2694 CA VAL B 77 5.794 1.480 0.921 1.00 0.00 C ATOM 2695 C VAL B 77 4.697 2.543 0.995 1.00 0.00 C ATOM 2696 O VAL B 77 4.789 3.589 0.384 1.00 0.00 O ATOM 2697 CB VAL B 77 5.550 0.584 -0.292 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.437 1.440 -1.553 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.720 -0.392 -0.443 1.00 0.00 C ATOM 0 H VAL B 77 5.402 -0.299 2.031 1.00 0.00 H new ATOM 0 HA VAL B 77 6.765 1.966 0.831 1.00 0.00 H new ATOM 0 HB VAL B 77 4.623 0.029 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.263 0.796 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.605 2.137 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.362 1.998 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.550 -1.033 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.645 0.168 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.800 -1.006 0.454 1.00 0.00 H new ATOM 2709 N SER B 78 3.654 2.277 1.729 1.00 0.00 N ATOM 2710 CA SER B 78 2.541 3.266 1.831 1.00 0.00 C ATOM 2711 C SER B 78 2.925 4.406 2.781 1.00 0.00 C ATOM 2712 O SER B 78 2.730 5.566 2.480 1.00 0.00 O ATOM 2713 CB SER B 78 1.291 2.565 2.362 1.00 0.00 C ATOM 2714 OG SER B 78 1.294 1.211 1.930 1.00 0.00 O ATOM 0 H SER B 78 3.522 1.418 2.263 1.00 0.00 H new ATOM 0 HA SER B 78 2.345 3.681 0.842 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.268 2.612 3.451 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.395 3.072 2.003 1.00 0.00 H new ATOM 0 HG SER B 78 0.495 0.757 2.270 1.00 0.00 H new ATOM 2720 N MET B 79 3.458 4.088 3.928 1.00 0.00 N ATOM 2721 CA MET B 79 3.836 5.170 4.892 1.00 0.00 C ATOM 2722 C MET B 79 4.759 6.170 4.196 1.00 0.00 C ATOM 2723 O MET B 79 4.528 7.363 4.215 1.00 0.00 O ATOM 2724 CB MET B 79 4.569 4.606 6.124 1.00 0.00 C ATOM 2725 CG MET B 79 4.411 3.087 6.216 1.00 0.00 C ATOM 2726 SD MET B 79 5.213 2.490 7.724 1.00 0.00 S ATOM 2727 CE MET B 79 3.731 2.423 8.759 1.00 0.00 C ATOM 0 H MET B 79 3.649 3.136 4.241 1.00 0.00 H new ATOM 0 HA MET B 79 2.917 5.653 5.225 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.627 4.861 6.069 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.176 5.070 7.028 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.354 2.820 6.223 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.855 2.610 5.342 1.00 0.00 H new ATOM 0 HE1 MET B 79 3.999 2.073 9.756 1.00 0.00 H new ATOM 0 HE2 MET B 79 3.292 3.418 8.830 1.00 0.00 H new ATOM 0 HE3 MET B 79 3.008 1.738 8.316 1.00 0.00 H new ATOM 2737 N VAL B 80 5.814 5.693 3.598 1.00 0.00 N ATOM 2738 CA VAL B 80 6.768 6.608 2.917 1.00 0.00 C ATOM 2739 C VAL B 80 6.098 7.295 1.724 1.00 0.00 C ATOM 2740 O VAL B 80 6.260 8.481 1.513 1.00 0.00 O ATOM 2741 CB VAL B 80 7.971 5.800 2.434 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.779 5.324 3.641 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.490 4.587 1.630 1.00 0.00 C ATOM 0 H VAL B 80 6.057 4.703 3.552 1.00 0.00 H new ATOM 0 HA VAL B 80 7.090 7.376 3.621 1.00 0.00 H new ATOM 0 HB VAL B 80 8.597 6.427 1.799 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.638 4.747 3.299 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.125 6.187 4.211 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.151 4.698 4.275 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.351 4.013 1.287 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.862 3.958 2.261 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.914 4.926 0.769 1.00 0.00 H new ATOM 2753 N THR B 81 5.360 6.568 0.932 1.00 0.00 N ATOM 2754 CA THR B 81 4.703 7.198 -0.248 1.00 0.00 C ATOM 2755 C THR B 81 3.580 8.129 0.214 1.00 0.00 C ATOM 2756 O THR B 81 2.960 8.807 -0.582 1.00 0.00 O ATOM 2757 CB THR B 81 4.122 6.107 -1.151 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.099 5.098 -1.361 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.722 6.718 -2.494 1.00 0.00 C ATOM 0 H THR B 81 5.184 5.570 1.049 1.00 0.00 H new ATOM 0 HA THR B 81 5.442 7.777 -0.802 1.00 0.00 H new ATOM 0 HB THR B 81 3.244 5.669 -0.676 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.182 4.550 -0.553 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.308 5.942 -3.138 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.973 7.493 -2.332 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.599 7.155 -2.971 1.00 0.00 H new ATOM 2767 N THR B 82 3.308 8.174 1.488 1.00 0.00 N ATOM 2768 CA THR B 82 2.221 9.066 1.981 1.00 0.00 C ATOM 2769 C THR B 82 2.750 9.946 3.115 1.00 0.00 C ATOM 2770 O THR B 82 2.002 10.639 3.776 1.00 0.00 O ATOM 2771 CB THR B 82 1.054 8.216 2.487 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.486 7.424 3.583 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.560 7.308 1.360 1.00 0.00 C ATOM 0 H THR B 82 3.789 7.634 2.207 1.00 0.00 H new ATOM 0 HA THR B 82 1.877 9.703 1.166 1.00 0.00 H new ATOM 0 HB THR B 82 0.241 8.867 2.810 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.656 6.508 3.278 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.272 6.702 1.719 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.228 7.918 0.520 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.371 6.656 1.036 1.00 0.00 H new ATOM 2781 N ALA B 83 4.034 9.932 3.342 1.00 0.00 N ATOM 2782 CA ALA B 83 4.609 10.774 4.429 1.00 0.00 C ATOM 2783 C ALA B 83 4.761 12.211 3.924 1.00 0.00 C ATOM 2784 O ALA B 83 4.933 13.134 4.693 1.00 0.00 O ATOM 2785 CB ALA B 83 5.979 10.225 4.831 1.00 0.00 C ATOM 0 H ALA B 83 4.711 9.374 2.822 1.00 0.00 H new ATOM 0 HA ALA B 83 3.947 10.758 5.295 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.399 10.841 5.626 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.870 9.200 5.185 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.645 10.242 3.968 1.00 0.00 H new