USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1139 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 76 SER OG : rot -70:sc= 0.241 USER MOD Set 1.2: A 79 GLN : amide:sc= -2.2 K(o=-2,f=-5.1!) USER MOD Set 2.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl -158:sc= 0 (180deg=-0.411) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.823 X(o=-1,f=-1.2) USER MOD Set 4.2: A 22 LYS NZ :NH3+ -147:sc= -0.0301 (180deg=0) USER MOD Set 4.3: A 23 LYS NZ :NH3+ -164:sc= -0.154 (180deg=-0.737) USER MOD Single : A 1 ARG N :NH3+ -164:sc=-0.00775 (180deg=-0.292) USER MOD Single : A 2 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-3.7!) USER MOD Single : A 9 THR OG1 : rot 91:sc= 0.0572 USER MOD Single : A 13 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.0236 (180deg=-0.292) USER MOD Single : A 24 THR OG1 : rot 64:sc= 0.206 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0068 F(o=-6.1!,f=-0.0068) USER MOD Single : A 32 HIS : no HE2:sc= -0.382 K(o=-0.38,f=-6.7!) USER MOD Single : A 34 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.77) USER MOD Single : A 37 ASN : amide:sc= -6.84! C(o=-6.8!,f=-7.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -168:sc= -0.644 USER MOD Single : A 46 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.8) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.89) USER MOD Single : A 69 SER OG : rot -170:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= -1.92! (180deg=-3.53!) USER MOD Single : A 83 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ -132:sc= -2.13 (180deg=-4.79!) USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 0.292 (180deg=0.268) USER MOD Single : A 108 ASN : amide:sc= -0.433 K(o=-0.43,f=-0.98) USER MOD Single : A 109 CYS SG : rot -38:sc= -2.19 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -110:sc= -0.266 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0.382 K(o=0.38,f=-1.1) USER MOD Single : A 123 THR OG1 : rot 70:sc= 0.95 USER MOD Single : A 124 LYS NZ :NH3+ -124:sc= -8.07! (180deg=-11!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 1 ASP N :NH3+ -136:sc= -0.185 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.406 -21.144 -3.896 1.00 1.51 N ATOM 2 CA ARG A 1 13.995 -20.677 -3.794 1.00 1.47 C ATOM 3 C ARG A 1 13.973 -19.198 -3.404 1.00 1.42 C ATOM 4 O ARG A 1 13.788 -18.330 -4.233 1.00 1.41 O ATOM 5 CB ARG A 1 13.263 -21.494 -2.726 1.00 1.52 C ATOM 6 CG ARG A 1 13.116 -22.942 -3.198 1.00 1.58 C ATOM 7 CD ARG A 1 12.334 -23.740 -2.153 1.00 1.56 C ATOM 8 NE ARG A 1 11.966 -25.071 -2.714 1.00 1.55 N ATOM 9 CZ ARG A 1 11.560 -26.024 -1.921 1.00 1.55 C ATOM 10 NH1 ARG A 1 11.479 -25.813 -0.636 1.00 1.57 N ATOM 11 NH2 ARG A 1 11.235 -27.189 -2.412 1.00 1.54 N ATOM 0 H1 ARG A 1 15.437 -22.046 -4.413 1.00 1.51 H new ATOM 0 H2 ARG A 1 15.971 -20.434 -4.404 1.00 1.51 H new ATOM 0 H3 ARG A 1 15.797 -21.279 -2.942 1.00 1.51 H new ATOM 0 HA ARG A 1 13.500 -20.807 -4.756 1.00 1.47 H new ATOM 0 HB2 ARG A 1 13.815 -21.461 -1.787 1.00 1.52 H new ATOM 0 HB3 ARG A 1 12.281 -21.062 -2.533 1.00 1.52 H new ATOM 0 HG2 ARG A 1 12.599 -22.973 -4.157 1.00 1.58 H new ATOM 0 HG3 ARG A 1 14.099 -23.388 -3.351 1.00 1.58 H new ATOM 0 HD2 ARG A 1 12.935 -23.867 -1.253 1.00 1.56 H new ATOM 0 HD3 ARG A 1 11.436 -23.196 -1.862 1.00 1.56 H new ATOM 0 HE ARG A 1 12.032 -25.237 -3.718 1.00 1.55 H new ATOM 0 HH11 ARG A 1 11.733 -24.903 -0.252 1.00 1.57 H new ATOM 0 HH12 ARG A 1 11.162 -26.558 -0.016 1.00 1.57 H new ATOM 0 HH21 ARG A 1 11.298 -27.355 -3.416 1.00 1.54 H new ATOM 0 HH22 ARG A 1 10.918 -27.934 -1.791 1.00 1.54 H new ATOM 27 N HIS A 2 14.158 -18.906 -2.146 1.00 1.39 N ATOM 28 CA HIS A 2 14.146 -17.484 -1.700 1.00 1.35 C ATOM 29 C HIS A 2 15.313 -16.733 -2.344 1.00 1.38 C ATOM 30 O HIS A 2 16.453 -16.882 -1.952 1.00 1.44 O ATOM 31 CB HIS A 2 14.284 -17.428 -0.178 1.00 1.31 C ATOM 32 CG HIS A 2 15.395 -18.343 0.257 1.00 1.26 C ATOM 33 ND1 HIS A 2 16.718 -17.931 0.300 1.00 1.27 N ATOM 34 CD2 HIS A 2 15.397 -19.652 0.670 1.00 1.20 C ATOM 35 CE1 HIS A 2 17.454 -18.974 0.724 1.00 1.22 C ATOM 36 NE2 HIS A 2 16.698 -20.049 0.964 1.00 1.17 N ATOM 0 H HIS A 2 14.317 -19.591 -1.407 1.00 1.39 H new ATOM 0 HA HIS A 2 13.207 -17.019 -2.000 1.00 1.35 H new ATOM 0 HB2 HIS A 2 14.493 -16.407 0.142 1.00 1.31 H new ATOM 0 HB3 HIS A 2 13.348 -17.725 0.294 1.00 1.31 H new ATOM 0 HD1 HIS A 2 17.069 -17.005 0.055 1.00 1.27 H new ATOM 0 HD2 HIS A 2 14.522 -20.279 0.754 1.00 1.20 H new ATOM 0 HE1 HIS A 2 18.526 -18.946 0.855 1.00 1.22 H new ATOM 44 N GLU A 3 15.037 -15.921 -3.330 1.00 1.36 N ATOM 45 CA GLU A 3 16.127 -15.154 -3.999 1.00 1.40 C ATOM 46 C GLU A 3 16.392 -13.865 -3.219 1.00 1.39 C ATOM 47 O GLU A 3 15.510 -13.321 -2.585 1.00 1.34 O ATOM 48 CB GLU A 3 15.699 -14.806 -5.426 1.00 1.39 C ATOM 49 CG GLU A 3 14.274 -14.250 -5.410 1.00 1.41 C ATOM 50 CD GLU A 3 13.951 -13.629 -6.770 1.00 1.40 C ATOM 51 OE1 GLU A 3 13.591 -14.373 -7.668 1.00 1.60 O ATOM 52 OE2 GLU A 3 14.070 -12.421 -6.891 1.00 1.53 O ATOM 0 H GLU A 3 14.101 -15.756 -3.701 1.00 1.36 H new ATOM 0 HA GLU A 3 17.035 -15.757 -4.027 1.00 1.40 H new ATOM 0 HB2 GLU A 3 16.382 -14.072 -5.853 1.00 1.39 H new ATOM 0 HB3 GLU A 3 15.748 -15.693 -6.058 1.00 1.39 H new ATOM 0 HG2 GLU A 3 13.565 -15.046 -5.185 1.00 1.41 H new ATOM 0 HG3 GLU A 3 14.173 -13.502 -4.624 1.00 1.41 H new ATOM 59 N ARG A 4 17.600 -13.368 -3.260 1.00 1.44 N ATOM 60 CA ARG A 4 17.916 -12.113 -2.522 1.00 1.44 C ATOM 61 C ARG A 4 17.470 -10.913 -3.364 1.00 1.43 C ATOM 62 O ARG A 4 17.748 -10.837 -4.545 1.00 1.45 O ATOM 63 CB ARG A 4 19.432 -12.051 -2.260 1.00 1.51 C ATOM 64 CG ARG A 4 19.863 -10.622 -1.833 1.00 1.53 C ATOM 65 CD ARG A 4 20.418 -9.843 -3.038 1.00 1.56 C ATOM 66 NE ARG A 4 21.867 -10.149 -3.198 1.00 1.64 N ATOM 67 CZ ARG A 4 22.480 -9.844 -4.310 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.824 -9.270 -5.281 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.749 -10.112 -4.449 1.00 1.74 N ATOM 0 H ARG A 4 18.381 -13.778 -3.773 1.00 1.44 H new ATOM 0 HA ARG A 4 17.391 -12.092 -1.567 1.00 1.44 H new ATOM 0 HB2 ARG A 4 19.700 -12.764 -1.480 1.00 1.51 H new ATOM 0 HB3 ARG A 4 19.973 -12.345 -3.160 1.00 1.51 H new ATOM 0 HG2 ARG A 4 19.011 -10.090 -1.410 1.00 1.53 H new ATOM 0 HG3 ARG A 4 20.621 -10.683 -1.052 1.00 1.53 H new ATOM 0 HD2 ARG A 4 19.875 -10.116 -3.943 1.00 1.56 H new ATOM 0 HD3 ARG A 4 20.275 -8.773 -2.891 1.00 1.56 H new ATOM 0 HE ARG A 4 22.380 -10.597 -2.439 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.832 -9.059 -5.172 1.00 1.65 H new ATOM 0 HH12 ARG A 4 22.303 -9.032 -6.149 1.00 1.65 H new ATOM 0 HH21 ARG A 4 24.262 -10.560 -3.689 1.00 1.74 H new ATOM 0 HH22 ARG A 4 24.228 -9.874 -5.317 1.00 1.74 H new ATOM 83 N ASP A 5 16.765 -9.983 -2.767 1.00 1.40 N ATOM 84 CA ASP A 5 16.280 -8.787 -3.520 1.00 1.39 C ATOM 85 C ASP A 5 16.542 -7.520 -2.704 1.00 1.41 C ATOM 86 O ASP A 5 17.614 -7.320 -2.167 1.00 1.46 O ATOM 87 CB ASP A 5 14.775 -8.928 -3.771 1.00 1.32 C ATOM 88 CG ASP A 5 14.357 -8.045 -4.951 1.00 1.32 C ATOM 89 OD1 ASP A 5 14.820 -8.303 -6.050 1.00 1.32 O ATOM 90 OD2 ASP A 5 13.583 -7.128 -4.736 1.00 1.33 O ATOM 0 H ASP A 5 16.503 -10.003 -1.781 1.00 1.40 H new ATOM 0 HA ASP A 5 16.809 -8.717 -4.470 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.528 -9.969 -3.980 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.220 -8.642 -2.877 1.00 1.32 H new ATOM 95 N ALA A 6 15.568 -6.657 -2.624 1.00 1.37 N ATOM 96 CA ALA A 6 15.749 -5.389 -1.862 1.00 1.39 C ATOM 97 C ALA A 6 15.531 -5.626 -0.364 1.00 1.40 C ATOM 98 O ALA A 6 16.396 -5.349 0.437 1.00 1.45 O ATOM 99 CB ALA A 6 14.738 -4.356 -2.361 1.00 1.34 C ATOM 0 H ALA A 6 14.651 -6.775 -3.055 1.00 1.37 H new ATOM 0 HA ALA A 6 16.765 -5.026 -2.016 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.865 -3.426 -1.807 1.00 1.34 H new ATOM 0 HB2 ALA A 6 14.900 -4.171 -3.423 1.00 1.34 H new ATOM 0 HB3 ALA A 6 13.727 -4.734 -2.209 1.00 1.34 H new ATOM 105 N PHE A 7 14.386 -6.127 0.029 1.00 1.35 N ATOM 106 CA PHE A 7 14.139 -6.354 1.494 1.00 1.36 C ATOM 107 C PHE A 7 15.361 -6.992 2.143 1.00 1.43 C ATOM 108 O PHE A 7 15.909 -6.466 3.083 1.00 1.46 O ATOM 109 CB PHE A 7 12.894 -7.243 1.715 1.00 1.31 C ATOM 110 CG PHE A 7 12.638 -8.091 0.503 1.00 1.26 C ATOM 111 CD1 PHE A 7 12.074 -7.509 -0.626 1.00 1.21 C ATOM 112 CD2 PHE A 7 12.959 -9.455 0.510 1.00 1.27 C ATOM 113 CE1 PHE A 7 11.826 -8.287 -1.761 1.00 1.16 C ATOM 114 CE2 PHE A 7 12.711 -10.236 -0.623 1.00 1.23 C ATOM 115 CZ PHE A 7 12.143 -9.651 -1.760 1.00 1.18 C ATOM 0 H PHE A 7 13.618 -6.387 -0.590 1.00 1.35 H new ATOM 0 HA PHE A 7 13.954 -5.386 1.960 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.043 -7.879 2.587 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.025 -6.619 1.921 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.828 -6.457 -0.627 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.398 -9.903 1.390 1.00 1.27 H new ATOM 0 HE1 PHE A 7 11.389 -7.835 -2.640 1.00 1.16 H new ATOM 0 HE2 PHE A 7 12.957 -11.288 -0.620 1.00 1.23 H new ATOM 0 HZ PHE A 7 11.949 -10.251 -2.637 1.00 1.18 H new ATOM 125 N ASP A 8 15.779 -8.111 1.652 1.00 1.47 N ATOM 126 CA ASP A 8 16.961 -8.805 2.247 1.00 1.54 C ATOM 127 C ASP A 8 18.070 -7.789 2.550 1.00 1.58 C ATOM 128 O ASP A 8 18.369 -7.502 3.690 1.00 1.60 O ATOM 129 CB ASP A 8 17.466 -9.871 1.243 1.00 1.58 C ATOM 130 CG ASP A 8 17.560 -11.250 1.914 1.00 1.64 C ATOM 131 OD1 ASP A 8 18.517 -11.471 2.637 1.00 1.69 O ATOM 132 OD2 ASP A 8 16.672 -12.056 1.692 1.00 1.64 O ATOM 0 H ASP A 8 15.355 -8.588 0.856 1.00 1.47 H new ATOM 0 HA ASP A 8 16.677 -9.288 3.182 1.00 1.54 H new ATOM 0 HB2 ASP A 8 16.790 -9.922 0.389 1.00 1.58 H new ATOM 0 HB3 ASP A 8 18.444 -9.581 0.859 1.00 1.58 H new ATOM 137 N THR A 9 18.674 -7.251 1.539 1.00 1.61 N ATOM 138 CA THR A 9 19.766 -6.260 1.762 1.00 1.66 C ATOM 139 C THR A 9 19.286 -5.135 2.674 1.00 1.62 C ATOM 140 O THR A 9 19.912 -4.803 3.661 1.00 1.65 O ATOM 141 CB THR A 9 20.202 -5.669 0.419 1.00 1.71 C ATOM 142 OG1 THR A 9 20.361 -6.715 -0.528 1.00 1.71 O ATOM 143 CG2 THR A 9 21.528 -4.927 0.592 1.00 1.78 C ATOM 0 H THR A 9 18.463 -7.451 0.561 1.00 1.61 H new ATOM 0 HA THR A 9 20.607 -6.767 2.236 1.00 1.66 H new ATOM 0 HB THR A 9 19.443 -4.972 0.065 1.00 1.71 H new ATOM 0 HG1 THR A 9 19.517 -6.854 -1.007 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.837 -4.507 -0.365 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.403 -4.123 1.318 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.290 -5.621 0.947 1.00 1.78 H new ATOM 151 N LEU A 10 18.182 -4.552 2.344 1.00 1.55 N ATOM 152 CA LEU A 10 17.638 -3.434 3.164 1.00 1.52 C ATOM 153 C LEU A 10 17.502 -3.898 4.619 1.00 1.51 C ATOM 154 O LEU A 10 18.100 -3.342 5.514 1.00 1.54 O ATOM 155 CB LEU A 10 16.265 -3.025 2.594 1.00 1.44 C ATOM 156 CG LEU A 10 16.425 -1.938 1.505 1.00 1.43 C ATOM 157 CD1 LEU A 10 17.554 -2.304 0.522 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.105 -1.792 0.731 1.00 1.36 C ATOM 0 H LEU A 10 17.619 -4.800 1.530 1.00 1.55 H new ATOM 0 HA LEU A 10 18.308 -2.575 3.133 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.766 -3.898 2.173 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.629 -2.651 3.397 1.00 1.44 H new ATOM 0 HG LEU A 10 16.681 -0.997 1.992 1.00 1.43 H new ATOM 0 HD11 LEU A 10 17.646 -1.524 -0.233 1.00 1.48 H new ATOM 0 HD12 LEU A 10 18.494 -2.395 1.066 1.00 1.48 H new ATOM 0 HD13 LEU A 10 17.321 -3.252 0.038 1.00 1.48 H new ATOM 0 HD21 LEU A 10 15.216 -1.026 -0.037 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.851 -2.742 0.262 1.00 1.36 H new ATOM 0 HD23 LEU A 10 14.310 -1.504 1.419 1.00 1.36 H new ATOM 170 N PHE A 11 16.737 -4.923 4.855 1.00 1.48 N ATOM 171 CA PHE A 11 16.578 -5.434 6.255 1.00 1.48 C ATOM 172 C PHE A 11 17.961 -5.741 6.813 1.00 1.55 C ATOM 173 O PHE A 11 18.342 -5.319 7.887 1.00 1.57 O ATOM 174 CB PHE A 11 15.773 -6.751 6.213 1.00 1.42 C ATOM 175 CG PHE A 11 14.329 -6.523 6.578 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.978 -6.054 7.849 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.349 -6.803 5.641 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.629 -5.862 8.172 1.00 1.27 C ATOM 179 CE2 PHE A 11 11.999 -6.617 5.955 1.00 1.25 C ATOM 180 CZ PHE A 11 11.638 -6.144 7.223 1.00 1.23 C ATOM 0 H PHE A 11 16.212 -5.433 4.145 1.00 1.48 H new ATOM 0 HA PHE A 11 16.067 -4.694 6.871 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.834 -7.185 5.215 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.215 -7.472 6.901 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.745 -5.841 8.579 1.00 1.34 H new ATOM 0 HD2 PHE A 11 13.628 -7.167 4.663 1.00 1.31 H new ATOM 0 HE1 PHE A 11 12.353 -5.497 9.150 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.237 -6.837 5.222 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.597 -5.997 7.469 1.00 1.23 H new ATOM 190 N ASP A 12 18.682 -6.516 6.076 1.00 1.58 N ATOM 191 CA ASP A 12 20.045 -6.942 6.507 1.00 1.65 C ATOM 192 C ASP A 12 20.890 -5.757 6.951 1.00 1.70 C ATOM 193 O ASP A 12 21.398 -5.718 8.054 1.00 1.75 O ATOM 194 CB ASP A 12 20.754 -7.636 5.344 1.00 1.68 C ATOM 195 CG ASP A 12 22.054 -8.269 5.843 1.00 1.63 C ATOM 196 OD1 ASP A 12 22.223 -8.356 7.047 1.00 1.65 O ATOM 197 OD2 ASP A 12 22.859 -8.656 5.011 1.00 1.58 O ATOM 0 H ASP A 12 18.387 -6.885 5.172 1.00 1.58 H new ATOM 0 HA ASP A 12 19.928 -7.622 7.351 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.107 -8.400 4.914 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.967 -6.917 4.553 1.00 1.68 H new ATOM 202 N HIS A 13 21.083 -4.820 6.079 1.00 1.70 N ATOM 203 CA HIS A 13 21.950 -3.641 6.405 1.00 1.76 C ATOM 204 C HIS A 13 21.123 -2.401 6.755 1.00 1.73 C ATOM 205 O HIS A 13 21.665 -1.320 6.877 1.00 1.77 O ATOM 206 CB HIS A 13 22.826 -3.325 5.192 1.00 1.80 C ATOM 207 CG HIS A 13 23.854 -2.294 5.569 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.024 -1.863 6.876 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.774 -1.600 4.823 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.013 -0.950 6.876 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.505 -0.752 5.650 1.00 1.95 N ATOM 0 H HIS A 13 20.678 -4.810 5.143 1.00 1.70 H new ATOM 0 HA HIS A 13 22.556 -3.897 7.274 1.00 1.76 H new ATOM 0 HB2 HIS A 13 23.318 -4.232 4.839 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.210 -2.957 4.372 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.910 -1.697 3.756 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.366 -0.440 7.760 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.255 -0.116 5.378 1.00 1.95 H new ATOM 219 N ALA A 14 19.835 -2.516 6.929 1.00 1.66 N ATOM 220 CA ALA A 14 19.058 -1.288 7.275 1.00 1.63 C ATOM 221 C ALA A 14 17.622 -1.621 7.701 1.00 1.56 C ATOM 222 O ALA A 14 16.685 -1.266 7.013 1.00 1.51 O ATOM 223 CB ALA A 14 19.023 -0.356 6.060 1.00 1.62 C ATOM 0 H ALA A 14 19.298 -3.379 6.850 1.00 1.66 H new ATOM 0 HA ALA A 14 19.552 -0.803 8.117 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.457 0.542 6.307 1.00 1.62 H new ATOM 0 HB2 ALA A 14 20.041 -0.079 5.784 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.546 -0.867 5.223 1.00 1.62 H new ATOM 229 N PRO A 15 17.478 -2.256 8.840 1.00 1.57 N ATOM 230 CA PRO A 15 16.148 -2.584 9.369 1.00 1.51 C ATOM 231 C PRO A 15 15.442 -1.272 9.751 1.00 1.50 C ATOM 232 O PRO A 15 14.243 -1.227 9.942 1.00 1.44 O ATOM 233 CB PRO A 15 16.425 -3.456 10.619 1.00 1.54 C ATOM 234 CG PRO A 15 17.967 -3.584 10.769 1.00 1.62 C ATOM 235 CD PRO A 15 18.607 -2.702 9.678 1.00 1.64 C ATOM 0 HA PRO A 15 15.509 -3.109 8.659 1.00 1.51 H new ATOM 0 HB2 PRO A 15 15.990 -3.000 11.508 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.968 -4.439 10.509 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.285 -3.261 11.760 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.279 -4.622 10.657 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.134 -1.854 10.115 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.336 -3.263 9.093 1.00 1.64 H new ATOM 243 N ASP A 16 16.197 -0.209 9.876 1.00 1.55 N ATOM 244 CA ASP A 16 15.599 1.109 10.263 1.00 1.55 C ATOM 245 C ASP A 16 15.098 1.856 9.021 1.00 1.52 C ATOM 246 O ASP A 16 14.062 2.498 9.044 1.00 1.48 O ATOM 247 CB ASP A 16 16.659 1.957 10.968 1.00 1.63 C ATOM 248 CG ASP A 16 17.000 1.327 12.319 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.196 1.450 13.228 1.00 1.64 O ATOM 250 OD2 ASP A 16 18.060 0.732 12.423 1.00 1.68 O ATOM 0 H ASP A 16 17.206 -0.196 9.726 1.00 1.55 H new ATOM 0 HA ASP A 16 14.757 0.931 10.931 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.555 2.026 10.351 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.291 2.973 11.111 1.00 1.63 H new ATOM 255 N LYS A 17 15.820 1.787 7.938 1.00 1.55 N ATOM 256 CA LYS A 17 15.371 2.499 6.710 1.00 1.54 C ATOM 257 C LYS A 17 14.026 1.922 6.284 1.00 1.46 C ATOM 258 O LYS A 17 13.147 2.630 5.840 1.00 1.42 O ATOM 259 CB LYS A 17 16.393 2.304 5.587 1.00 1.59 C ATOM 260 CG LYS A 17 17.608 3.204 5.834 1.00 1.67 C ATOM 261 CD LYS A 17 18.553 3.134 4.631 1.00 1.72 C ATOM 262 CE LYS A 17 19.568 4.275 4.712 1.00 1.80 C ATOM 263 NZ LYS A 17 18.900 5.562 4.366 1.00 1.80 N ATOM 0 H LYS A 17 16.696 1.272 7.850 1.00 1.55 H new ATOM 0 HA LYS A 17 15.277 3.566 6.914 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.704 1.260 5.542 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.941 2.543 4.625 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.285 4.232 5.996 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.129 2.888 6.738 1.00 1.67 H new ATOM 0 HD2 LYS A 17 19.069 2.174 4.616 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.984 3.204 3.704 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.989 4.330 5.716 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.396 4.088 4.029 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.618 6.262 4.090 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.242 5.410 3.575 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 18.373 5.913 5.191 1.00 1.80 H new ATOM 277 N LEU A 18 13.857 0.639 6.426 1.00 1.43 N ATOM 278 CA LEU A 18 12.566 0.016 6.040 1.00 1.36 C ATOM 279 C LEU A 18 11.446 0.673 6.838 1.00 1.31 C ATOM 280 O LEU A 18 10.367 0.916 6.335 1.00 1.26 O ATOM 281 CB LEU A 18 12.607 -1.476 6.357 1.00 1.35 C ATOM 282 CG LEU A 18 13.586 -2.179 5.410 1.00 1.35 C ATOM 283 CD1 LEU A 18 13.711 -3.641 5.832 1.00 1.28 C ATOM 284 CD2 LEU A 18 13.084 -2.082 3.954 1.00 1.41 C ATOM 0 H LEU A 18 14.558 -0.004 6.793 1.00 1.43 H new ATOM 0 HA LEU A 18 12.392 0.153 4.973 1.00 1.36 H new ATOM 0 HB2 LEU A 18 12.913 -1.629 7.392 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.611 -1.907 6.252 1.00 1.35 H new ATOM 0 HG LEU A 18 14.562 -1.697 5.465 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.405 -4.154 5.166 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.083 -3.694 6.855 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.734 -4.121 5.776 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.789 -2.585 3.292 1.00 1.41 H new ATOM 0 HD22 LEU A 18 12.107 -2.558 3.874 1.00 1.41 H new ATOM 0 HD23 LEU A 18 13.001 -1.034 3.667 1.00 1.41 H new ATOM 296 N ASN A 19 11.701 0.975 8.078 1.00 1.33 N ATOM 297 CA ASN A 19 10.659 1.632 8.907 1.00 1.29 C ATOM 298 C ASN A 19 10.272 2.951 8.242 1.00 1.30 C ATOM 299 O ASN A 19 9.110 3.257 8.074 1.00 1.25 O ATOM 300 CB ASN A 19 11.215 1.901 10.308 1.00 1.32 C ATOM 301 CG ASN A 19 10.066 2.235 11.260 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.344 1.358 11.692 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.864 3.476 11.609 1.00 1.22 N ATOM 0 H ASN A 19 12.586 0.795 8.552 1.00 1.33 H new ATOM 0 HA ASN A 19 9.784 0.988 8.992 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.757 1.027 10.669 1.00 1.32 H new ATOM 0 HB3 ASN A 19 11.926 2.727 10.276 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.101 3.709 12.244 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.470 4.213 11.247 1.00 1.22 H new ATOM 310 N VAL A 20 11.244 3.733 7.853 1.00 1.36 N ATOM 311 CA VAL A 20 10.936 5.033 7.189 1.00 1.38 C ATOM 312 C VAL A 20 10.317 4.778 5.808 1.00 1.34 C ATOM 313 O VAL A 20 9.432 5.491 5.370 1.00 1.32 O ATOM 314 CB VAL A 20 12.225 5.842 7.027 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.879 7.268 6.594 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.972 5.884 8.362 1.00 1.50 C ATOM 0 H VAL A 20 12.237 3.528 7.966 1.00 1.36 H new ATOM 0 HA VAL A 20 10.229 5.591 7.803 1.00 1.38 H new ATOM 0 HB VAL A 20 12.856 5.374 6.271 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.796 7.846 6.478 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.345 7.240 5.644 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.249 7.735 7.351 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.890 6.460 8.247 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.341 6.353 9.117 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.217 4.869 8.674 1.00 1.50 H new ATOM 326 N VAL A 21 10.771 3.771 5.110 1.00 1.33 N ATOM 327 CA VAL A 21 10.194 3.495 3.764 1.00 1.30 C ATOM 328 C VAL A 21 8.707 3.154 3.912 1.00 1.22 C ATOM 329 O VAL A 21 7.895 3.530 3.086 1.00 1.19 O ATOM 330 CB VAL A 21 10.942 2.334 3.099 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.251 1.966 1.782 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.395 2.752 2.811 1.00 1.38 C ATOM 0 H VAL A 21 11.509 3.134 5.410 1.00 1.33 H new ATOM 0 HA VAL A 21 10.300 4.379 3.135 1.00 1.30 H new ATOM 0 HB VAL A 21 10.936 1.473 3.768 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.784 1.140 1.310 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.222 1.667 1.982 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.255 2.829 1.116 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.925 1.925 2.338 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.400 3.614 2.145 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.891 3.013 3.746 1.00 1.38 H new ATOM 342 N LYS A 22 8.322 2.479 4.970 1.00 1.19 N ATOM 343 CA LYS A 22 6.883 2.178 5.144 1.00 1.12 C ATOM 344 C LYS A 22 6.197 3.514 5.356 1.00 1.12 C ATOM 345 O LYS A 22 5.155 3.760 4.824 1.00 1.09 O ATOM 346 CB LYS A 22 6.692 1.233 6.354 1.00 1.09 C ATOM 347 CG LYS A 22 5.276 1.367 6.993 1.00 1.03 C ATOM 348 CD LYS A 22 5.350 1.045 8.493 1.00 1.03 C ATOM 349 CE LYS A 22 5.878 2.268 9.260 1.00 1.09 C ATOM 350 NZ LYS A 22 6.625 1.812 10.466 1.00 1.14 N ATOM 0 H LYS A 22 8.938 2.132 5.705 1.00 1.19 H new ATOM 0 HA LYS A 22 6.457 1.669 4.279 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.848 0.202 6.035 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.450 1.452 7.106 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.895 2.378 6.847 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.579 0.689 6.500 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.363 0.769 8.865 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.004 0.189 8.659 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.530 2.860 8.618 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.049 2.912 9.554 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.502 2.504 11.233 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.259 0.888 10.772 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.636 1.726 10.236 1.00 1.14 H new ATOM 364 N LYS A 23 6.784 4.368 6.144 1.00 1.17 N ATOM 365 CA LYS A 23 6.172 5.705 6.406 1.00 1.18 C ATOM 366 C LYS A 23 6.022 6.479 5.094 1.00 1.20 C ATOM 367 O LYS A 23 5.217 7.384 4.985 1.00 1.20 O ATOM 368 CB LYS A 23 7.062 6.502 7.364 1.00 1.25 C ATOM 369 CG LYS A 23 7.039 5.854 8.750 1.00 1.23 C ATOM 370 CD LYS A 23 7.603 6.833 9.781 1.00 1.29 C ATOM 371 CE LYS A 23 7.851 6.100 11.100 1.00 1.36 C ATOM 372 NZ LYS A 23 6.742 5.137 11.350 1.00 1.39 N ATOM 0 H LYS A 23 7.668 4.199 6.623 1.00 1.17 H new ATOM 0 HA LYS A 23 5.189 5.561 6.854 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.083 6.535 6.984 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.712 7.532 7.428 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.019 5.577 9.016 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.628 4.937 8.744 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.533 7.268 9.414 1.00 1.29 H new ATOM 0 HD3 LYS A 23 6.905 7.656 9.936 1.00 1.29 H new ATOM 0 HE2 LYS A 23 8.804 5.572 11.061 1.00 1.36 H new ATOM 0 HE3 LYS A 23 7.917 6.816 11.919 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.757 4.841 12.347 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.832 5.593 11.138 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.862 4.304 10.740 1.00 1.39 H new ATOM 386 N THR A 24 6.772 6.127 4.090 1.00 1.22 N ATOM 387 CA THR A 24 6.640 6.849 2.790 1.00 1.24 C ATOM 388 C THR A 24 5.421 6.297 2.081 1.00 1.18 C ATOM 389 O THR A 24 4.675 7.007 1.437 1.00 1.18 O ATOM 390 CB THR A 24 7.889 6.628 1.934 1.00 1.30 C ATOM 391 OG1 THR A 24 9.047 6.910 2.707 1.00 1.36 O ATOM 392 CG2 THR A 24 7.846 7.555 0.718 1.00 1.31 C ATOM 0 H THR A 24 7.465 5.379 4.109 1.00 1.22 H new ATOM 0 HA THR A 24 6.532 7.920 2.959 1.00 1.24 H new ATOM 0 HB THR A 24 7.921 5.592 1.597 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.110 6.271 3.447 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.736 7.397 0.109 1.00 1.31 H new ATOM 0 HG22 THR A 24 6.957 7.337 0.126 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.814 8.592 1.052 1.00 1.31 H new ATOM 400 N LEU A 25 5.190 5.037 2.246 1.00 1.13 N ATOM 401 CA LEU A 25 3.996 4.419 1.645 1.00 1.07 C ATOM 402 C LEU A 25 2.784 4.979 2.395 1.00 1.03 C ATOM 403 O LEU A 25 1.711 5.163 1.841 1.00 0.99 O ATOM 404 CB LEU A 25 4.094 2.906 1.838 1.00 1.03 C ATOM 405 CG LEU A 25 5.351 2.367 1.138 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.430 0.841 1.332 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.309 2.711 -0.366 1.00 1.09 C ATOM 0 H LEU A 25 5.785 4.402 2.778 1.00 1.13 H new ATOM 0 HA LEU A 25 3.909 4.632 0.580 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.130 2.668 2.901 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.206 2.421 1.433 1.00 1.03 H new ATOM 0 HG LEU A 25 6.235 2.831 1.575 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.321 0.457 0.836 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.480 0.612 2.396 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.545 0.373 0.901 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.204 2.325 -0.853 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.426 2.259 -0.818 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.267 3.793 -0.491 1.00 1.09 H new ATOM 419 N ILE A 26 2.969 5.288 3.659 1.00 1.04 N ATOM 420 CA ILE A 26 1.863 5.868 4.456 1.00 1.01 C ATOM 421 C ILE A 26 1.519 7.205 3.823 1.00 1.05 C ATOM 422 O ILE A 26 0.378 7.562 3.719 1.00 1.02 O ATOM 423 CB ILE A 26 2.306 6.070 5.923 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.553 4.697 6.573 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.220 6.814 6.725 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.747 4.854 8.085 1.00 1.01 C ATOM 0 H ILE A 26 3.845 5.159 4.165 1.00 1.04 H new ATOM 0 HA ILE A 26 0.999 5.204 4.462 1.00 1.01 H new ATOM 0 HB ILE A 26 3.220 6.664 5.930 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.710 4.035 6.374 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.435 4.231 6.132 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.553 6.945 7.754 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.040 7.790 6.275 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.297 6.234 6.714 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.921 3.876 8.533 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.605 5.499 8.277 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.853 5.300 8.522 1.00 1.01 H new ATOM 438 N THR A 27 2.508 7.942 3.400 1.00 1.11 N ATOM 439 CA THR A 27 2.241 9.264 2.765 1.00 1.15 C ATOM 440 C THR A 27 1.456 9.055 1.458 1.00 1.12 C ATOM 441 O THR A 27 0.598 9.841 1.102 1.00 1.12 O ATOM 442 CB THR A 27 3.585 9.957 2.483 1.00 1.23 C ATOM 443 OG1 THR A 27 4.124 10.441 3.706 1.00 1.27 O ATOM 444 CG2 THR A 27 3.384 11.130 1.520 1.00 1.27 C ATOM 0 H THR A 27 3.493 7.685 3.467 1.00 1.11 H new ATOM 0 HA THR A 27 1.646 9.891 3.430 1.00 1.15 H new ATOM 0 HB THR A 27 4.269 9.240 2.030 1.00 1.23 H new ATOM 0 HG1 THR A 27 4.982 10.882 3.533 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.343 11.612 1.329 1.00 1.27 H new ATOM 0 HG22 THR A 27 2.968 10.763 0.581 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.697 11.851 1.963 1.00 1.27 H new ATOM 452 N PHE A 28 1.741 7.997 0.748 1.00 1.10 N ATOM 453 CA PHE A 28 1.019 7.723 -0.532 1.00 1.07 C ATOM 454 C PHE A 28 -0.491 7.678 -0.255 1.00 1.01 C ATOM 455 O PHE A 28 -1.281 8.403 -0.855 1.00 1.02 O ATOM 456 CB PHE A 28 1.510 6.366 -1.078 1.00 1.05 C ATOM 457 CG PHE A 28 0.988 6.090 -2.492 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.140 7.030 -3.539 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.329 4.877 -2.755 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.630 6.750 -4.805 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.171 4.604 -4.031 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.026 5.540 -5.054 1.00 1.00 C ATOM 0 H PHE A 28 2.447 7.305 1.000 1.00 1.10 H new ATOM 0 HA PHE A 28 1.215 8.504 -1.267 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.600 6.352 -1.085 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.185 5.568 -0.410 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.651 7.964 -3.357 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.208 4.150 -1.965 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.742 7.473 -5.600 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.671 3.666 -4.225 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.420 5.331 -6.038 1.00 1.00 H new ATOM 472 N VAL A 29 -0.910 6.842 0.655 1.00 0.97 N ATOM 473 CA VAL A 29 -2.367 6.772 0.952 1.00 0.92 C ATOM 474 C VAL A 29 -2.813 8.068 1.638 1.00 0.95 C ATOM 475 O VAL A 29 -3.870 8.573 1.362 1.00 0.94 O ATOM 476 CB VAL A 29 -2.681 5.556 1.858 1.00 0.86 C ATOM 477 CG1 VAL A 29 -4.067 4.970 1.507 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.601 4.481 1.662 1.00 0.85 C ATOM 0 H VAL A 29 -0.317 6.214 1.198 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.912 6.651 0.016 1.00 0.92 H new ATOM 0 HB VAL A 29 -2.691 5.881 2.898 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -4.275 4.116 2.152 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.832 5.732 1.656 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -4.073 4.649 0.466 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.821 3.624 2.299 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.588 4.164 0.619 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.627 4.891 1.928 1.00 0.85 H new ATOM 488 N ASN A 30 -2.015 8.605 2.527 1.00 0.99 N ATOM 489 CA ASN A 30 -2.405 9.868 3.226 1.00 1.03 C ATOM 490 C ASN A 30 -2.771 10.918 2.181 1.00 1.06 C ATOM 491 O ASN A 30 -3.491 11.844 2.443 1.00 1.09 O ATOM 492 CB ASN A 30 -1.234 10.390 4.080 1.00 1.08 C ATOM 493 CG ASN A 30 -1.759 11.035 5.369 1.00 1.08 C ATOM 494 OD1 ASN A 30 -2.171 10.268 6.341 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.796 12.243 5.489 1.00 1.06 N flip ATOM 0 H ASN A 30 -1.109 8.223 2.799 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.256 9.669 3.877 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.560 9.569 4.325 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.656 11.118 3.511 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.474 12.841 4.728 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.149 12.659 6.350 1.00 1.06 H new ATOM 502 N LYS A 31 -2.269 10.771 0.998 1.00 1.07 N ATOM 503 CA LYS A 31 -2.570 11.757 -0.073 1.00 1.11 C ATOM 504 C LYS A 31 -3.960 11.443 -0.602 1.00 1.06 C ATOM 505 O LYS A 31 -4.859 12.267 -0.584 1.00 1.08 O ATOM 506 CB LYS A 31 -1.514 11.626 -1.194 1.00 1.13 C ATOM 507 CG LYS A 31 -1.199 12.999 -1.802 1.00 1.18 C ATOM 508 CD LYS A 31 -2.445 13.555 -2.494 1.00 1.19 C ATOM 509 CE LYS A 31 -2.090 14.862 -3.205 1.00 1.23 C ATOM 510 NZ LYS A 31 -3.340 15.563 -3.612 1.00 1.29 N ATOM 0 H LYS A 31 -1.657 10.004 0.719 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.539 12.779 0.305 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.603 11.182 -0.793 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.881 10.954 -1.970 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.867 13.685 -1.023 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.382 12.911 -2.518 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -2.830 12.831 -3.212 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -3.234 13.729 -1.762 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -1.502 15.499 -2.545 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.474 14.656 -4.081 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -3.098 16.452 -4.095 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -3.885 14.955 -4.257 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -3.911 15.772 -2.768 1.00 1.29 H new ATOM 524 N HIS A 32 -4.153 10.232 -1.028 1.00 1.01 N ATOM 525 CA HIS A 32 -5.429 9.809 -1.504 1.00 0.97 C ATOM 526 C HIS A 32 -6.434 9.956 -0.367 1.00 0.95 C ATOM 527 O HIS A 32 -7.592 10.231 -0.573 1.00 0.95 O ATOM 528 CB HIS A 32 -5.210 8.363 -1.849 1.00 0.91 C ATOM 529 CG HIS A 32 -4.390 8.267 -3.103 1.00 0.93 C ATOM 530 ND1 HIS A 32 -3.004 8.269 -3.079 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.742 8.179 -4.421 1.00 0.98 C ATOM 532 CE1 HIS A 32 -2.578 8.186 -4.351 1.00 0.93 C ATOM 533 NE2 HIS A 32 -3.597 8.127 -5.211 1.00 0.98 N ATOM 0 H HIS A 32 -3.430 9.513 -1.054 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.810 10.377 -2.353 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.701 7.855 -1.029 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -6.168 7.862 -1.989 1.00 0.91 H new ATOM 0 HD1 HIS A 32 -2.415 8.323 -2.248 1.00 0.89 H new ATOM 0 HD2 HIS A 32 -5.756 8.154 -4.793 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -1.538 8.169 -4.642 1.00 0.93 H new ATOM 541 N LEU A 33 -5.968 9.791 0.839 1.00 0.95 N ATOM 542 CA LEU A 33 -6.849 9.924 2.031 1.00 0.94 C ATOM 543 C LEU A 33 -6.980 11.411 2.353 1.00 1.01 C ATOM 544 O LEU A 33 -8.068 11.921 2.533 1.00 1.02 O ATOM 545 CB LEU A 33 -6.201 9.173 3.211 1.00 0.92 C ATOM 546 CG LEU A 33 -6.658 7.687 3.315 1.00 0.85 C ATOM 547 CD1 LEU A 33 -7.897 7.571 4.203 1.00 0.82 C ATOM 548 CD2 LEU A 33 -6.968 7.075 1.936 1.00 0.84 C ATOM 0 H LEU A 33 -4.996 9.566 1.052 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.836 9.501 1.844 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.117 9.207 3.104 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.446 9.688 4.140 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.829 7.133 3.755 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -8.203 6.527 4.265 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -7.665 7.941 5.202 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -8.707 8.162 3.776 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.282 6.039 2.060 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.767 7.642 1.458 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -6.074 7.111 1.313 1.00 0.84 H new ATOM 560 N ASN A 34 -5.882 12.120 2.417 1.00 1.05 N ATOM 561 CA ASN A 34 -5.971 13.577 2.716 1.00 1.12 C ATOM 562 C ASN A 34 -7.030 14.217 1.808 1.00 1.14 C ATOM 563 O ASN A 34 -7.556 15.269 2.113 1.00 1.18 O ATOM 564 CB ASN A 34 -4.606 14.243 2.481 1.00 1.18 C ATOM 565 CG ASN A 34 -4.759 15.769 2.457 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.070 16.343 1.432 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.555 16.451 3.550 1.00 1.29 N ATOM 0 H ASN A 34 -4.939 11.757 2.277 1.00 1.05 H new ATOM 0 HA ASN A 34 -6.256 13.718 3.759 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.911 13.952 3.269 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.182 13.898 1.538 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.657 17.466 3.544 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -4.294 15.969 4.410 1.00 1.29 H new ATOM 574 N LYS A 35 -7.357 13.600 0.697 1.00 1.11 N ATOM 575 CA LYS A 35 -8.390 14.213 -0.191 1.00 1.13 C ATOM 576 C LYS A 35 -9.689 14.353 0.612 1.00 1.11 C ATOM 577 O LYS A 35 -10.186 15.441 0.821 1.00 1.16 O ATOM 578 CB LYS A 35 -8.609 13.313 -1.436 1.00 1.10 C ATOM 579 CG LYS A 35 -8.309 14.095 -2.729 1.00 0.97 C ATOM 580 CD LYS A 35 -6.788 14.298 -2.880 1.00 1.01 C ATOM 581 CE LYS A 35 -6.145 13.061 -3.534 1.00 1.10 C ATOM 582 NZ LYS A 35 -6.049 13.275 -5.005 1.00 1.15 N ATOM 0 H LYS A 35 -6.962 12.717 0.373 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.066 15.195 -0.536 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.963 12.437 -1.376 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.637 12.951 -1.454 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.699 13.553 -3.591 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.813 15.061 -2.705 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.591 15.182 -3.486 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.339 14.475 -1.903 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.154 12.888 -3.115 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.740 12.173 -3.322 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.615 12.441 -5.450 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -7.001 13.421 -5.397 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.464 14.113 -5.196 1.00 1.15 H new ATOM 596 N LEU A 36 -10.226 13.261 1.082 1.00 1.04 N ATOM 597 CA LEU A 36 -11.475 13.338 1.892 1.00 1.02 C ATOM 598 C LEU A 36 -11.088 13.765 3.313 1.00 1.05 C ATOM 599 O LEU A 36 -11.902 13.838 4.206 1.00 1.03 O ATOM 600 CB LEU A 36 -12.153 11.966 1.900 1.00 0.95 C ATOM 601 CG LEU A 36 -13.662 12.109 2.202 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.431 12.477 0.923 1.00 0.97 C ATOM 603 CD2 LEU A 36 -14.208 10.781 2.745 1.00 0.89 C ATOM 0 H LEU A 36 -9.856 12.321 0.941 1.00 1.04 H new ATOM 0 HA LEU A 36 -12.174 14.061 1.472 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -12.014 11.480 0.935 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.685 11.327 2.649 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.794 12.898 2.942 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.492 12.574 1.152 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -14.056 13.423 0.532 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.291 11.695 0.177 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -15.272 10.885 2.957 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -14.061 9.996 2.003 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.679 10.518 3.661 1.00 0.89 H new ATOM 615 N ASN A 37 -9.832 14.061 3.483 1.00 1.11 N ATOM 616 CA ASN A 37 -9.276 14.527 4.781 1.00 1.16 C ATOM 617 C ASN A 37 -9.338 13.453 5.872 1.00 1.11 C ATOM 618 O ASN A 37 -10.201 13.421 6.722 1.00 1.12 O ATOM 619 CB ASN A 37 -9.952 15.851 5.184 1.00 1.22 C ATOM 620 CG ASN A 37 -11.250 15.652 5.981 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.219 15.398 7.169 1.00 1.16 O ATOM 622 ND2 ASN A 37 -12.399 15.805 5.383 1.00 1.21 N ATOM 0 H ASN A 37 -9.137 13.995 2.739 1.00 1.11 H new ATOM 0 HA ASN A 37 -8.211 14.720 4.655 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -9.255 16.440 5.780 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -10.170 16.428 4.285 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -13.266 15.711 5.912 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -12.431 16.018 4.386 1.00 1.21 H new ATOM 629 N LEU A 38 -8.367 12.582 5.855 1.00 1.06 N ATOM 630 CA LEU A 38 -8.269 11.503 6.894 1.00 1.02 C ATOM 631 C LEU A 38 -6.794 11.386 7.306 1.00 1.02 C ATOM 632 O LEU A 38 -6.034 12.326 7.177 1.00 1.06 O ATOM 633 CB LEU A 38 -8.767 10.154 6.336 1.00 0.98 C ATOM 634 CG LEU A 38 -10.320 10.100 6.295 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.826 10.484 4.906 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.804 8.675 6.607 1.00 1.02 C ATOM 0 H LEU A 38 -7.623 12.567 5.157 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.893 11.756 7.751 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.369 10.004 5.333 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.389 9.340 6.954 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.705 10.799 7.037 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.915 10.442 4.891 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.498 11.496 4.666 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.426 9.789 4.168 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.893 8.646 6.576 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.401 7.984 5.867 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.461 8.383 7.600 1.00 1.02 H new ATOM 648 N GLU A 39 -6.378 10.254 7.803 1.00 1.02 N ATOM 649 CA GLU A 39 -4.954 10.102 8.220 1.00 1.03 C ATOM 650 C GLU A 39 -4.635 8.625 8.479 1.00 0.98 C ATOM 651 O GLU A 39 -5.197 8.002 9.358 1.00 0.95 O ATOM 652 CB GLU A 39 -4.711 10.907 9.499 1.00 1.08 C ATOM 653 CG GLU A 39 -3.207 10.986 9.776 1.00 1.11 C ATOM 654 CD GLU A 39 -2.962 11.820 11.035 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.569 11.517 12.049 1.00 1.13 O ATOM 656 OE2 GLU A 39 -2.172 12.746 10.964 1.00 1.24 O ATOM 0 H GLU A 39 -6.961 9.428 7.939 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.308 10.471 7.423 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.125 11.910 9.394 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.222 10.437 10.339 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.797 9.984 9.905 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.693 11.433 8.925 1.00 1.11 H new ATOM 663 N VAL A 40 -3.726 8.064 7.723 1.00 0.98 N ATOM 664 CA VAL A 40 -3.347 6.627 7.917 1.00 0.94 C ATOM 665 C VAL A 40 -2.071 6.559 8.768 1.00 0.95 C ATOM 666 O VAL A 40 -1.325 7.514 8.855 1.00 0.99 O ATOM 667 CB VAL A 40 -3.102 5.992 6.541 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.186 6.902 5.703 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.456 4.609 6.714 1.00 0.89 C ATOM 0 H VAL A 40 -3.225 8.541 6.974 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.144 6.086 8.426 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.055 5.876 6.024 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.015 6.447 4.727 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.661 7.874 5.572 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.233 7.030 6.216 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.284 4.163 5.735 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.505 4.714 7.237 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.120 3.967 7.294 1.00 0.89 H new ATOM 679 N THR A 41 -1.819 5.439 9.407 1.00 0.93 N ATOM 680 CA THR A 41 -0.593 5.315 10.268 1.00 0.95 C ATOM 681 C THR A 41 0.041 3.929 10.109 1.00 0.91 C ATOM 682 O THR A 41 1.214 3.750 10.372 1.00 0.96 O ATOM 683 CB THR A 41 -0.986 5.492 11.741 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.012 6.469 11.845 1.00 1.12 O ATOM 685 CG2 THR A 41 0.232 5.937 12.557 1.00 1.20 C ATOM 0 H THR A 41 -2.407 4.606 9.371 1.00 0.93 H new ATOM 0 HA THR A 41 0.120 6.081 9.961 1.00 0.95 H new ATOM 0 HB THR A 41 -1.348 4.541 12.131 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.264 6.580 12.786 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.055 6.060 13.601 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.015 5.182 12.483 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.604 6.885 12.168 1.00 1.20 H new ATOM 693 N GLU A 42 -0.727 2.943 9.719 1.00 0.86 N ATOM 694 CA GLU A 42 -0.169 1.560 9.578 1.00 0.83 C ATOM 695 C GLU A 42 -0.432 1.039 8.172 1.00 0.81 C ATOM 696 O GLU A 42 -1.372 0.309 7.941 1.00 0.88 O ATOM 697 CB GLU A 42 -0.848 0.637 10.592 1.00 0.78 C ATOM 698 CG GLU A 42 -0.405 1.020 12.005 1.00 0.77 C ATOM 699 CD GLU A 42 -1.150 0.159 13.028 1.00 0.78 C ATOM 700 OE1 GLU A 42 -2.332 -0.072 12.830 1.00 0.84 O ATOM 701 OE2 GLU A 42 -0.526 -0.254 13.991 1.00 0.83 O ATOM 0 H GLU A 42 -1.717 3.034 9.492 1.00 0.86 H new ATOM 0 HA GLU A 42 0.906 1.584 9.759 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.932 0.717 10.505 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.588 -0.401 10.386 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.671 0.879 12.110 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.607 2.075 12.187 1.00 0.77 H new ATOM 708 N LEU A 43 0.399 1.384 7.227 1.00 0.80 N ATOM 709 CA LEU A 43 0.178 0.877 5.850 1.00 0.78 C ATOM 710 C LEU A 43 0.113 -0.654 5.928 1.00 0.74 C ATOM 711 O LEU A 43 -0.734 -1.295 5.341 1.00 0.70 O ATOM 712 CB LEU A 43 1.346 1.340 4.957 1.00 0.86 C ATOM 713 CG LEU A 43 1.042 1.203 3.441 1.00 0.83 C ATOM 714 CD1 LEU A 43 0.194 -0.028 3.113 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.292 2.444 2.958 1.00 0.90 C ATOM 0 H LEU A 43 1.212 1.988 7.349 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.749 1.259 5.422 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.578 2.381 5.183 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.234 0.756 5.198 1.00 0.86 H new ATOM 0 HG LEU A 43 2.002 1.095 2.936 1.00 0.83 H new ATOM 0 HD11 LEU A 43 0.014 -0.070 2.039 1.00 0.85 H new ATOM 0 HD12 LEU A 43 0.722 -0.928 3.428 1.00 0.85 H new ATOM 0 HD13 LEU A 43 -0.759 0.036 3.638 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.078 2.349 1.893 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.644 2.541 3.509 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.906 3.329 3.127 1.00 0.90 H new ATOM 727 N GLU A 44 1.007 -1.249 6.656 1.00 0.79 N ATOM 728 CA GLU A 44 1.002 -2.738 6.766 1.00 0.77 C ATOM 729 C GLU A 44 -0.415 -3.274 7.086 1.00 0.69 C ATOM 730 O GLU A 44 -1.003 -4.043 6.340 1.00 0.70 O ATOM 731 CB GLU A 44 1.971 -3.170 7.893 1.00 0.83 C ATOM 732 CG GLU A 44 2.871 -2.005 8.293 1.00 0.84 C ATOM 733 CD GLU A 44 3.896 -2.480 9.325 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.838 -3.640 9.697 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.721 -1.676 9.726 1.00 1.14 O ATOM 0 H GLU A 44 1.742 -0.775 7.181 1.00 0.79 H new ATOM 0 HA GLU A 44 1.320 -3.152 5.809 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.404 -3.514 8.758 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.579 -4.010 7.557 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.381 -1.608 7.415 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.271 -1.194 8.707 1.00 0.84 H new ATOM 742 N THR A 45 -0.947 -2.895 8.208 1.00 0.65 N ATOM 743 CA THR A 45 -2.289 -3.401 8.616 1.00 0.60 C ATOM 744 C THR A 45 -3.398 -2.710 7.830 1.00 0.58 C ATOM 745 O THR A 45 -4.560 -3.020 7.991 1.00 0.58 O ATOM 746 CB THR A 45 -2.499 -3.141 10.110 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.484 -1.741 10.352 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.381 -3.812 10.910 1.00 0.64 C ATOM 0 H THR A 45 -0.510 -2.252 8.868 1.00 0.65 H new ATOM 0 HA THR A 45 -2.328 -4.470 8.408 1.00 0.60 H new ATOM 0 HB THR A 45 -3.460 -3.553 10.419 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.426 -1.576 11.316 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.532 -3.626 11.973 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.395 -4.886 10.724 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.418 -3.403 10.603 1.00 0.64 H new ATOM 756 N GLN A 46 -3.074 -1.788 6.974 1.00 0.59 N ATOM 757 CA GLN A 46 -4.145 -1.116 6.207 1.00 0.59 C ATOM 758 C GLN A 46 -4.609 -2.064 5.119 1.00 0.54 C ATOM 759 O GLN A 46 -5.689 -1.928 4.579 1.00 0.58 O ATOM 760 CB GLN A 46 -3.631 0.185 5.591 1.00 0.65 C ATOM 761 CG GLN A 46 -3.612 1.298 6.668 1.00 0.66 C ATOM 762 CD GLN A 46 -4.851 2.192 6.538 1.00 0.78 C ATOM 763 OE1 GLN A 46 -5.135 2.708 5.475 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.604 2.398 7.584 1.00 1.04 N ATOM 0 H GLN A 46 -2.124 -1.475 6.775 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.974 -0.865 6.869 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.629 0.037 5.188 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.269 0.482 4.758 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.582 0.850 7.661 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.709 1.900 6.562 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.366 1.965 8.477 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.430 2.992 7.509 1.00 1.04 H new ATOM 773 N PHE A 47 -3.809 -3.055 4.812 1.00 0.50 N ATOM 774 CA PHE A 47 -4.209 -4.036 3.793 1.00 0.49 C ATOM 775 C PHE A 47 -4.841 -5.183 4.541 1.00 0.46 C ATOM 776 O PHE A 47 -5.543 -6.000 3.986 1.00 0.49 O ATOM 777 CB PHE A 47 -2.982 -4.510 3.013 1.00 0.54 C ATOM 778 CG PHE A 47 -2.704 -3.550 1.873 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.521 -2.187 2.137 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.637 -4.021 0.556 1.00 0.71 C ATOM 781 CE1 PHE A 47 -2.271 -1.297 1.086 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.387 -3.130 -0.495 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.204 -1.769 -0.230 1.00 0.89 C ATOM 0 H PHE A 47 -2.894 -3.216 5.233 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.905 -3.608 3.072 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.117 -4.566 3.674 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.151 -5.514 2.624 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.573 -1.822 3.152 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.778 -5.072 0.351 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -2.130 -0.246 1.291 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.335 -3.494 -1.511 1.00 0.83 H new ATOM 0 HZ PHE A 47 -2.011 -1.082 -1.041 1.00 0.89 H new ATOM 793 N ALA A 48 -4.629 -5.211 5.825 1.00 0.42 N ATOM 794 CA ALA A 48 -5.248 -6.276 6.661 1.00 0.40 C ATOM 795 C ALA A 48 -6.749 -6.065 6.672 1.00 0.36 C ATOM 796 O ALA A 48 -7.446 -6.444 7.592 1.00 0.36 O ATOM 797 CB ALA A 48 -4.702 -6.222 8.089 1.00 0.42 C ATOM 0 H ALA A 48 -4.052 -4.541 6.334 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.009 -7.254 6.244 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.166 -7.008 8.686 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.622 -6.369 8.071 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.929 -5.251 8.529 1.00 0.42 H new ATOM 803 N ASP A 49 -7.244 -5.450 5.643 1.00 0.34 N ATOM 804 CA ASP A 49 -8.696 -5.187 5.554 1.00 0.32 C ATOM 805 C ASP A 49 -9.010 -4.660 4.144 1.00 0.31 C ATOM 806 O ASP A 49 -10.150 -4.583 3.736 1.00 0.31 O ATOM 807 CB ASP A 49 -9.060 -4.133 6.621 1.00 0.32 C ATOM 808 CG ASP A 49 -10.385 -4.480 7.312 1.00 0.33 C ATOM 809 OD1 ASP A 49 -10.596 -5.649 7.593 1.00 0.36 O ATOM 810 OD2 ASP A 49 -11.162 -3.571 7.551 1.00 0.34 O ATOM 0 H ASP A 49 -6.696 -5.115 4.851 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.275 -6.093 5.731 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -8.264 -4.073 7.363 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -9.136 -3.151 6.155 1.00 0.32 H new ATOM 815 N GLY A 50 -7.994 -4.303 3.402 1.00 0.32 N ATOM 816 CA GLY A 50 -8.214 -3.774 2.021 1.00 0.33 C ATOM 817 C GLY A 50 -9.337 -2.720 2.016 1.00 0.33 C ATOM 818 O GLY A 50 -9.798 -2.302 0.969 1.00 0.34 O ATOM 0 H GLY A 50 -7.018 -4.355 3.693 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.292 -3.332 1.644 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.473 -4.592 1.349 1.00 0.33 H new ATOM 822 N VAL A 51 -9.784 -2.285 3.167 1.00 0.33 N ATOM 823 CA VAL A 51 -10.878 -1.264 3.204 1.00 0.36 C ATOM 824 C VAL A 51 -10.318 0.106 2.832 1.00 0.40 C ATOM 825 O VAL A 51 -10.714 0.709 1.853 1.00 0.42 O ATOM 826 CB VAL A 51 -11.443 -1.177 4.619 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.502 -0.073 4.683 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.078 -2.511 5.012 1.00 0.36 C ATOM 0 H VAL A 51 -9.442 -2.590 4.078 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.657 -1.556 2.499 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.632 -0.947 5.310 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.904 -0.013 5.694 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.049 0.882 4.415 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.308 -0.301 3.985 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.478 -2.439 6.023 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.885 -2.748 4.318 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.324 -3.298 4.975 1.00 0.36 H new ATOM 838 N TYR A 52 -9.394 0.601 3.607 1.00 0.41 N ATOM 839 CA TYR A 52 -8.807 1.929 3.298 1.00 0.47 C ATOM 840 C TYR A 52 -8.106 1.836 1.951 1.00 0.47 C ATOM 841 O TYR A 52 -7.708 2.826 1.371 1.00 0.51 O ATOM 842 CB TYR A 52 -7.797 2.312 4.382 1.00 0.49 C ATOM 843 CG TYR A 52 -8.474 2.288 5.732 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.537 1.095 6.463 1.00 0.57 C ATOM 845 CD2 TYR A 52 -9.040 3.458 6.254 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.165 1.072 7.714 1.00 0.60 C ATOM 847 CE2 TYR A 52 -9.668 3.435 7.505 1.00 0.51 C ATOM 848 CZ TYR A 52 -9.731 2.242 8.235 1.00 0.57 C ATOM 849 OH TYR A 52 -10.350 2.219 9.468 1.00 0.60 O ATOM 0 H TYR A 52 -9.022 0.143 4.439 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.588 2.689 3.265 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.956 1.618 4.372 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.393 3.305 4.183 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.101 0.192 6.061 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -8.992 4.378 5.691 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -9.213 0.152 8.277 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -10.104 4.338 7.907 1.00 0.51 H new ATOM 0 HH TYR A 52 -10.688 3.114 9.681 1.00 0.60 H new ATOM 859 N LEU A 53 -7.956 0.643 1.448 1.00 0.43 N ATOM 860 CA LEU A 53 -7.276 0.476 0.133 1.00 0.44 C ATOM 861 C LEU A 53 -8.230 0.890 -0.991 1.00 0.45 C ATOM 862 O LEU A 53 -7.976 1.838 -1.710 1.00 0.50 O ATOM 863 CB LEU A 53 -6.856 -0.988 -0.039 1.00 0.41 C ATOM 864 CG LEU A 53 -6.321 -1.237 -1.459 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.295 -0.163 -1.841 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.652 -2.616 -1.510 1.00 0.46 C ATOM 0 H LEU A 53 -8.273 -0.221 1.888 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.388 1.107 0.093 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.089 -1.240 0.693 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.707 -1.641 0.154 1.00 0.41 H new ATOM 0 HG LEU A 53 -7.152 -1.196 -2.163 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.926 -0.354 -2.849 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.767 0.819 -1.807 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.462 -0.190 -1.139 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -5.271 -2.798 -2.515 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -4.828 -2.647 -0.798 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.382 -3.384 -1.254 1.00 0.46 H new ATOM 878 N VAL A 54 -9.336 0.211 -1.149 1.00 0.43 N ATOM 879 CA VAL A 54 -10.277 0.620 -2.227 1.00 0.46 C ATOM 880 C VAL A 54 -10.691 2.069 -1.973 1.00 0.51 C ATOM 881 O VAL A 54 -11.106 2.784 -2.868 1.00 0.55 O ATOM 882 CB VAL A 54 -11.514 -0.279 -2.220 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.383 0.049 -3.436 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.079 -1.745 -2.286 1.00 0.41 C ATOM 0 H VAL A 54 -9.623 -0.592 -0.590 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.791 0.527 -3.198 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.084 -0.110 -1.306 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.266 -0.590 -3.435 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.691 1.094 -3.392 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -11.812 -0.123 -4.348 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -11.960 -2.387 -2.281 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -10.511 -1.915 -3.201 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.455 -1.979 -1.423 1.00 0.41 H new ATOM 894 N LEU A 55 -10.564 2.511 -0.751 1.00 0.52 N ATOM 895 CA LEU A 55 -10.933 3.911 -0.421 1.00 0.58 C ATOM 896 C LEU A 55 -9.921 4.852 -1.086 1.00 0.62 C ATOM 897 O LEU A 55 -10.287 5.793 -1.760 1.00 0.66 O ATOM 898 CB LEU A 55 -10.916 4.086 1.111 1.00 0.59 C ATOM 899 CG LEU A 55 -11.957 5.125 1.543 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.957 5.242 3.068 1.00 0.58 C ATOM 901 CD2 LEU A 55 -11.611 6.481 0.929 1.00 0.67 C ATOM 0 H LEU A 55 -10.219 1.958 0.034 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.932 4.145 -0.788 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -11.124 3.131 1.595 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.924 4.399 1.436 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.944 4.813 1.201 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.697 5.981 3.376 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -12.204 4.275 3.507 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -10.970 5.553 3.409 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -12.352 7.219 1.237 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -10.624 6.793 1.270 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -11.610 6.399 -0.158 1.00 0.67 H new ATOM 913 N LEU A 56 -8.651 4.598 -0.910 1.00 0.62 N ATOM 914 CA LEU A 56 -7.623 5.475 -1.541 1.00 0.66 C ATOM 915 C LEU A 56 -7.894 5.556 -3.051 1.00 0.67 C ATOM 916 O LEU A 56 -7.721 6.587 -3.672 1.00 0.72 O ATOM 917 CB LEU A 56 -6.207 4.908 -1.234 1.00 0.65 C ATOM 918 CG LEU A 56 -5.684 3.984 -2.363 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.168 4.815 -3.570 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.544 3.108 -1.812 1.00 0.66 C ATOM 0 H LEU A 56 -8.282 3.823 -0.358 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.673 6.485 -1.134 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.510 5.734 -1.092 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.236 4.352 -0.297 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.505 3.356 -2.709 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.807 4.142 -4.347 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.980 5.424 -3.966 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.354 5.463 -3.244 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.172 2.456 -2.602 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.734 3.746 -1.457 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.917 2.502 -0.987 1.00 0.66 H new ATOM 932 N MET A 57 -8.317 4.474 -3.641 1.00 0.62 N ATOM 933 CA MET A 57 -8.592 4.477 -5.107 1.00 0.63 C ATOM 934 C MET A 57 -9.664 5.517 -5.446 1.00 0.68 C ATOM 935 O MET A 57 -9.474 6.367 -6.295 1.00 0.72 O ATOM 936 CB MET A 57 -9.079 3.091 -5.536 1.00 0.58 C ATOM 937 CG MET A 57 -7.903 2.114 -5.542 1.00 0.55 C ATOM 938 SD MET A 57 -8.534 0.418 -5.677 1.00 0.60 S ATOM 939 CE MET A 57 -7.510 -0.127 -7.069 1.00 0.57 C ATOM 0 H MET A 57 -8.485 3.584 -3.171 1.00 0.62 H new ATOM 0 HA MET A 57 -7.673 4.729 -5.637 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.854 2.739 -4.854 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.527 3.143 -6.528 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.237 2.334 -6.376 1.00 0.55 H new ATOM 0 HG3 MET A 57 -7.318 2.225 -4.629 1.00 0.55 H new ATOM 0 HE1 MET A 57 -7.748 -1.162 -7.313 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.708 0.504 -7.935 1.00 0.57 H new ATOM 0 HE3 MET A 57 -6.457 -0.051 -6.798 1.00 0.57 H new ATOM 949 N GLY A 58 -10.797 5.453 -4.808 1.00 0.67 N ATOM 950 CA GLY A 58 -11.869 6.437 -5.128 1.00 0.73 C ATOM 951 C GLY A 58 -11.341 7.860 -4.996 1.00 0.79 C ATOM 952 O GLY A 58 -11.511 8.680 -5.877 1.00 0.84 O ATOM 0 H GLY A 58 -11.027 4.770 -4.086 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.234 6.270 -6.142 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.716 6.293 -4.457 1.00 0.73 H new ATOM 956 N LEU A 59 -10.697 8.162 -3.914 1.00 0.79 N ATOM 957 CA LEU A 59 -10.152 9.535 -3.738 1.00 0.86 C ATOM 958 C LEU A 59 -9.136 9.794 -4.839 1.00 0.88 C ATOM 959 O LEU A 59 -8.807 10.921 -5.148 1.00 0.94 O ATOM 960 CB LEU A 59 -9.523 9.649 -2.347 1.00 0.86 C ATOM 961 CG LEU A 59 -10.542 9.116 -1.321 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.997 9.283 0.090 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.871 9.878 -1.445 1.00 0.87 C ATOM 0 H LEU A 59 -10.522 7.521 -3.140 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.940 10.285 -3.811 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.597 9.075 -2.299 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.267 10.686 -2.128 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.714 8.059 -1.522 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.724 8.904 0.808 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -9.065 8.726 0.188 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.811 10.339 0.286 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.582 9.491 -0.715 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.701 10.939 -1.260 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.274 9.745 -2.449 1.00 0.87 H new ATOM 975 N LEU A 60 -8.668 8.753 -5.462 1.00 0.84 N ATOM 976 CA LEU A 60 -7.704 8.937 -6.582 1.00 0.87 C ATOM 977 C LEU A 60 -8.457 9.621 -7.721 1.00 0.91 C ATOM 978 O LEU A 60 -8.057 10.652 -8.225 1.00 0.96 O ATOM 979 CB LEU A 60 -7.173 7.567 -7.053 1.00 0.82 C ATOM 980 CG LEU A 60 -5.791 7.728 -7.707 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.196 6.348 -8.006 1.00 0.83 C ATOM 982 CD2 LEU A 60 -5.927 8.520 -9.014 1.00 0.91 C ATOM 0 H LEU A 60 -8.909 7.785 -5.247 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.853 9.539 -6.263 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -7.105 6.885 -6.206 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.870 7.124 -7.764 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.133 8.265 -7.024 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.217 6.467 -8.469 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -5.092 5.787 -7.077 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -5.855 5.807 -8.685 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -4.946 8.632 -9.475 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.589 7.986 -9.696 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -6.343 9.505 -8.801 1.00 0.91 H new ATOM 994 N GLU A 61 -9.564 9.054 -8.112 1.00 0.87 N ATOM 995 CA GLU A 61 -10.371 9.666 -9.202 1.00 0.91 C ATOM 996 C GLU A 61 -10.902 11.018 -8.723 1.00 0.96 C ATOM 997 O GLU A 61 -10.812 12.014 -9.412 1.00 1.00 O ATOM 998 CB GLU A 61 -11.546 8.740 -9.542 1.00 0.86 C ATOM 999 CG GLU A 61 -12.059 9.045 -10.952 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.397 8.337 -11.173 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.810 7.606 -10.288 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -13.985 8.538 -12.223 1.00 0.74 O ATOM 0 H GLU A 61 -9.945 8.192 -7.722 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.756 9.807 -10.091 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.230 7.699 -9.478 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.348 8.875 -8.817 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.179 10.121 -11.082 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.333 8.713 -11.694 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.456 11.048 -7.536 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.007 12.322 -6.971 1.00 1.01 C ATOM 1011 C GLY A 62 -13.521 12.195 -6.810 1.00 1.00 C ATOM 1012 O GLY A 62 -14.286 12.701 -7.607 1.00 1.03 O ATOM 0 H GLY A 62 -11.552 10.236 -6.927 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.545 12.535 -6.007 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.769 13.157 -7.630 1.00 1.01 H new ATOM 1016 N TYR A 63 -13.955 11.524 -5.782 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.419 11.356 -5.555 1.00 0.95 C ATOM 1018 C TYR A 63 -15.647 10.649 -4.216 1.00 0.93 C ATOM 1019 O TYR A 63 -14.764 10.007 -3.684 1.00 0.89 O ATOM 1020 CB TYR A 63 -16.020 10.514 -6.687 1.00 0.91 C ATOM 1021 CG TYR A 63 -17.468 10.204 -6.376 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -18.414 11.235 -6.360 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -17.864 8.887 -6.104 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -19.755 10.952 -6.072 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -19.205 8.604 -5.816 1.00 0.98 C ATOM 1026 CZ TYR A 63 -20.150 9.637 -5.800 1.00 1.02 C ATOM 1027 OH TYR A 63 -21.471 9.358 -5.516 1.00 1.06 O ATOM 0 H TYR A 63 -13.357 11.082 -5.084 1.00 0.96 H new ATOM 0 HA TYR A 63 -15.899 12.334 -5.538 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -15.948 11.052 -7.632 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -15.456 9.588 -6.804 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -18.110 12.250 -6.570 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -17.135 8.090 -6.117 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -20.484 11.748 -6.060 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -19.510 7.589 -5.606 1.00 0.98 H new ATOM 0 HH TYR A 63 -21.575 8.397 -5.352 1.00 1.06 H new ATOM 1037 N PHE A 64 -16.828 10.759 -3.669 1.00 0.95 N ATOM 1038 CA PHE A 64 -17.111 10.090 -2.368 1.00 0.93 C ATOM 1039 C PHE A 64 -17.056 8.573 -2.561 1.00 0.86 C ATOM 1040 O PHE A 64 -17.582 8.044 -3.521 1.00 0.83 O ATOM 1041 CB PHE A 64 -18.503 10.494 -1.878 1.00 0.98 C ATOM 1042 CG PHE A 64 -18.487 11.945 -1.461 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -18.127 12.294 -0.154 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -18.833 12.942 -2.382 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -18.112 13.639 0.233 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -18.818 14.288 -1.994 1.00 1.01 C ATOM 1047 CZ PHE A 64 -18.457 14.636 -0.687 1.00 1.07 C ATOM 0 H PHE A 64 -17.608 11.283 -4.067 1.00 0.95 H new ATOM 0 HA PHE A 64 -16.368 10.392 -1.630 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -19.238 10.340 -2.668 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -18.801 9.866 -1.038 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -17.861 11.525 0.556 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -19.111 12.673 -3.390 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -17.834 13.908 1.242 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -19.085 15.057 -2.703 1.00 1.01 H new ATOM 0 HZ PHE A 64 -18.445 15.674 -0.388 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.415 7.871 -1.657 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.305 6.378 -1.773 1.00 0.76 C ATOM 1059 C VAL A 65 -17.112 5.723 -0.622 1.00 0.76 C ATOM 1060 O VAL A 65 -16.601 5.608 0.474 1.00 0.75 O ATOM 1061 CB VAL A 65 -14.811 5.976 -1.659 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -14.527 4.732 -2.513 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -13.931 7.130 -2.150 1.00 0.76 C ATOM 0 H VAL A 65 -15.959 8.270 -0.836 1.00 0.83 H new ATOM 0 HA VAL A 65 -16.701 6.042 -2.731 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.587 5.754 -0.616 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -13.475 4.462 -2.423 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -15.145 3.904 -2.167 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -14.759 4.946 -3.556 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -12.881 6.847 -2.070 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -14.168 7.351 -3.191 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.116 8.014 -1.540 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.347 5.316 -0.873 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.165 4.695 0.186 1.00 0.79 C ATOM 1075 C PRO A 66 -18.461 3.438 0.718 1.00 0.72 C ATOM 1076 O PRO A 66 -17.765 2.752 -0.003 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.514 4.357 -0.493 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.468 4.947 -1.932 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.023 5.432 -2.185 1.00 0.79 C ATOM 0 HA PRO A 66 -19.315 5.348 1.046 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -20.669 3.279 -0.525 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.345 4.782 0.070 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -20.754 4.193 -2.665 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.173 5.772 -2.031 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -18.528 4.821 -2.940 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.009 6.460 -2.547 1.00 0.79 H new ATOM 1087 N LEU A 67 -18.632 3.141 1.977 1.00 0.73 N ATOM 1088 CA LEU A 67 -17.974 1.943 2.559 1.00 0.68 C ATOM 1089 C LEU A 67 -18.558 0.677 1.923 1.00 0.65 C ATOM 1090 O LEU A 67 -17.881 -0.321 1.773 1.00 0.60 O ATOM 1091 CB LEU A 67 -18.225 1.928 4.070 1.00 0.72 C ATOM 1092 CG LEU A 67 -17.276 2.910 4.765 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -17.413 4.297 4.131 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -17.631 2.991 6.251 1.00 0.77 C ATOM 0 H LEU A 67 -19.202 3.681 2.628 1.00 0.73 H new ATOM 0 HA LEU A 67 -16.902 1.975 2.364 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -19.260 2.199 4.278 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -18.074 0.923 4.463 1.00 0.72 H new ATOM 0 HG LEU A 67 -16.249 2.563 4.652 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -16.737 4.993 4.628 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -17.161 4.240 3.072 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -18.439 4.648 4.241 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -16.958 3.689 6.748 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -18.659 3.337 6.361 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -17.530 2.005 6.703 1.00 0.77 H new ATOM 1106 N HIS A 68 -19.811 0.707 1.552 1.00 0.69 N ATOM 1107 CA HIS A 68 -20.441 -0.497 0.930 1.00 0.68 C ATOM 1108 C HIS A 68 -20.276 -0.441 -0.589 1.00 0.68 C ATOM 1109 O HIS A 68 -20.864 -1.218 -1.315 1.00 0.72 O ATOM 1110 CB HIS A 68 -21.930 -0.526 1.279 1.00 0.75 C ATOM 1111 CG HIS A 68 -22.598 0.706 0.732 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.122 0.755 -0.550 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -22.834 1.943 1.280 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -23.641 1.983 -0.730 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -23.493 2.747 0.355 1.00 0.90 N ATOM 0 H HIS A 68 -20.427 1.514 1.653 1.00 0.69 H new ATOM 0 HA HIS A 68 -19.956 -1.396 1.311 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.395 -1.420 0.863 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.060 -0.573 2.360 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -22.551 2.246 2.277 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -24.119 2.311 -1.641 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -23.798 3.713 0.479 1.00 0.90 H new ATOM 1123 N SER A 69 -19.480 0.467 -1.078 1.00 0.66 N ATOM 1124 CA SER A 69 -19.281 0.563 -2.551 1.00 0.67 C ATOM 1125 C SER A 69 -18.357 -0.556 -3.006 1.00 0.61 C ATOM 1126 O SER A 69 -18.439 -1.048 -4.114 1.00 0.63 O ATOM 1127 CB SER A 69 -18.658 1.922 -2.893 1.00 0.69 C ATOM 1128 OG SER A 69 -19.242 2.418 -4.090 1.00 0.69 O ATOM 0 H SER A 69 -18.959 1.146 -0.523 1.00 0.66 H new ATOM 0 HA SER A 69 -20.240 0.469 -3.060 1.00 0.67 H new ATOM 0 HB2 SER A 69 -18.821 2.626 -2.077 1.00 0.69 H new ATOM 0 HB3 SER A 69 -17.580 1.820 -3.016 1.00 0.69 H new ATOM 0 HG SER A 69 -18.742 3.203 -4.397 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.470 -0.942 -2.150 1.00 0.56 N ATOM 1135 CA PHE A 70 -16.499 -2.020 -2.493 1.00 0.51 C ATOM 1136 C PHE A 70 -17.065 -3.387 -2.090 1.00 0.50 C ATOM 1137 O PHE A 70 -18.258 -3.613 -2.140 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.156 -1.749 -1.785 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.161 -2.229 -0.343 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.336 -2.206 0.426 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -13.968 -2.696 0.224 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.311 -2.649 1.755 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -13.947 -3.138 1.551 1.00 0.51 C ATOM 1144 CZ PHE A 70 -15.117 -3.115 2.316 1.00 0.54 C ATOM 0 H PHE A 70 -17.368 -0.556 -1.211 1.00 0.56 H new ATOM 0 HA PHE A 70 -16.330 -2.028 -3.570 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -14.353 -2.247 -2.329 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -14.943 -0.680 -1.810 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.258 -1.847 -0.007 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.063 -2.715 -0.365 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.214 -2.631 2.347 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.026 -3.497 1.985 1.00 0.51 H new ATOM 0 HZ PHE A 70 -15.099 -3.457 3.340 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.220 -4.300 -1.697 1.00 0.45 N ATOM 1155 CA PHE A 71 -16.713 -5.650 -1.299 1.00 0.45 C ATOM 1156 C PHE A 71 -17.381 -5.550 0.080 1.00 0.50 C ATOM 1157 O PHE A 71 -17.721 -4.479 0.537 1.00 0.51 O ATOM 1158 CB PHE A 71 -15.515 -6.636 -1.259 1.00 0.41 C ATOM 1159 CG PHE A 71 -15.791 -7.851 -2.127 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -15.952 -7.697 -3.510 1.00 0.43 C ATOM 1161 CD2 PHE A 71 -15.885 -9.126 -1.551 1.00 0.41 C ATOM 1162 CE1 PHE A 71 -16.207 -8.813 -4.315 1.00 0.46 C ATOM 1163 CE2 PHE A 71 -16.140 -10.242 -2.358 1.00 0.44 C ATOM 1164 CZ PHE A 71 -16.301 -10.085 -3.740 1.00 0.46 C ATOM 0 H PHE A 71 -15.210 -4.170 -1.634 1.00 0.45 H new ATOM 0 HA PHE A 71 -17.444 -6.017 -2.019 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -14.612 -6.133 -1.605 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -15.331 -6.951 -0.232 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -15.879 -6.716 -3.956 1.00 0.43 H new ATOM 0 HD2 PHE A 71 -15.761 -9.247 -0.485 1.00 0.41 H new ATOM 0 HE1 PHE A 71 -16.331 -8.692 -5.381 1.00 0.46 H new ATOM 0 HE2 PHE A 71 -16.212 -11.224 -1.914 1.00 0.44 H new ATOM 0 HZ PHE A 71 -16.498 -10.946 -4.362 1.00 0.46 H new ATOM 1174 N LEU A 72 -17.570 -6.659 0.745 1.00 0.54 N ATOM 1175 CA LEU A 72 -18.210 -6.620 2.092 1.00 0.59 C ATOM 1176 C LEU A 72 -17.133 -6.329 3.142 1.00 0.57 C ATOM 1177 O LEU A 72 -15.951 -6.420 2.874 1.00 0.59 O ATOM 1178 CB LEU A 72 -18.889 -7.975 2.392 1.00 0.64 C ATOM 1179 CG LEU A 72 -18.143 -9.122 1.669 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -18.276 -10.421 2.474 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -18.742 -9.342 0.272 1.00 0.71 C ATOM 0 H LEU A 72 -17.309 -7.588 0.414 1.00 0.54 H new ATOM 0 HA LEU A 72 -18.969 -5.838 2.118 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -18.895 -8.156 3.467 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -19.929 -7.948 2.068 1.00 0.64 H new ATOM 0 HG LEU A 72 -17.092 -8.849 1.579 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -17.748 -11.224 1.959 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -17.845 -10.281 3.465 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -19.330 -10.683 2.571 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -18.210 -10.151 -0.229 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -19.796 -9.604 0.365 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -18.645 -8.428 -0.313 1.00 0.71 H new ATOM 1193 N THR A 73 -17.531 -5.979 4.332 1.00 0.53 N ATOM 1194 CA THR A 73 -16.533 -5.682 5.393 1.00 0.52 C ATOM 1195 C THR A 73 -15.771 -6.982 5.750 1.00 0.44 C ATOM 1196 O THR A 73 -16.392 -7.914 6.220 1.00 0.43 O ATOM 1197 CB THR A 73 -17.273 -5.178 6.635 1.00 0.59 C ATOM 1198 OG1 THR A 73 -18.246 -4.219 6.245 1.00 0.59 O ATOM 1199 CG2 THR A 73 -16.276 -4.533 7.596 1.00 0.61 C ATOM 0 H THR A 73 -18.506 -5.886 4.615 1.00 0.53 H new ATOM 0 HA THR A 73 -15.828 -4.927 5.044 1.00 0.52 H new ATOM 0 HB THR A 73 -17.764 -6.014 7.132 1.00 0.59 H new ATOM 0 HG1 THR A 73 -18.723 -3.896 7.038 1.00 0.59 H new ATOM 0 HG21 THR A 73 -16.803 -4.174 8.480 1.00 0.61 H new ATOM 0 HG22 THR A 73 -15.528 -5.269 7.893 1.00 0.61 H new ATOM 0 HG23 THR A 73 -15.784 -3.695 7.102 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.461 -7.040 5.537 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.702 -8.263 5.870 1.00 0.35 C ATOM 1209 C PRO A 74 -13.993 -8.670 7.318 1.00 0.35 C ATOM 1210 O PRO A 74 -14.029 -7.843 8.208 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.219 -7.882 5.653 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.202 -6.505 4.928 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.639 -5.942 4.974 1.00 0.47 C ATOM 0 HA PRO A 74 -13.973 -9.121 5.255 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.693 -7.822 6.606 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.710 -8.638 5.055 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.506 -5.823 5.416 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.867 -6.618 3.897 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.694 -5.049 5.596 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.985 -5.660 3.980 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.222 -9.942 7.551 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.537 -10.427 8.934 1.00 0.38 C ATOM 1223 C ASP A 75 -13.432 -11.370 9.405 1.00 0.36 C ATOM 1224 O ASP A 75 -13.011 -11.325 10.545 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.892 -11.174 8.895 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.777 -10.751 10.077 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.577 -11.277 11.160 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -17.637 -9.909 9.876 1.00 0.82 O ATOM 0 H ASP A 75 -14.204 -10.670 6.837 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.600 -9.587 9.626 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.404 -10.961 7.956 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.721 -12.250 8.928 1.00 0.46 H new ATOM 1233 N SER A 76 -12.970 -12.228 8.534 1.00 0.38 N ATOM 1234 CA SER A 76 -11.895 -13.196 8.910 1.00 0.41 C ATOM 1235 C SER A 76 -10.694 -13.012 7.988 1.00 0.39 C ATOM 1236 O SER A 76 -10.616 -12.078 7.219 1.00 0.37 O ATOM 1237 CB SER A 76 -12.427 -14.626 8.790 1.00 0.51 C ATOM 1238 OG SER A 76 -13.225 -14.739 7.623 1.00 0.54 O ATOM 0 H SER A 76 -13.294 -12.301 7.569 1.00 0.38 H new ATOM 0 HA SER A 76 -11.587 -13.013 9.939 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.597 -15.331 8.745 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.015 -14.881 9.671 1.00 0.51 H new ATOM 0 HG SER A 76 -14.057 -14.236 7.745 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.750 -13.894 8.087 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.523 -13.794 7.257 1.00 0.44 C ATOM 1246 C PHE A 77 -8.846 -13.962 5.797 1.00 0.48 C ATOM 1247 O PHE A 77 -8.583 -13.107 5.002 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.567 -14.907 7.691 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.324 -14.954 6.815 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.566 -13.795 6.579 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.916 -16.175 6.255 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.407 -13.862 5.787 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.765 -16.237 5.464 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.011 -15.083 5.232 1.00 0.90 C ATOM 0 H PHE A 77 -9.775 -14.695 8.718 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.072 -12.811 7.395 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.275 -14.751 8.729 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.081 -15.867 7.645 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.874 -12.852 7.006 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.493 -17.070 6.436 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.823 -12.972 5.607 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.458 -17.178 5.032 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.121 -15.134 4.623 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.404 -15.054 5.443 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.732 -15.288 4.010 1.00 0.56 C ATOM 1266 C GLU A 78 -10.454 -14.066 3.434 1.00 0.53 C ATOM 1267 O GLU A 78 -10.213 -13.665 2.316 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.623 -16.550 3.907 1.00 0.63 C ATOM 1269 CG GLU A 78 -9.983 -17.586 2.976 1.00 1.05 C ATOM 1270 CD GLU A 78 -10.903 -18.802 2.856 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -10.859 -19.643 3.738 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.636 -18.871 1.883 1.00 1.04 O ATOM 0 H GLU A 78 -9.656 -15.812 6.077 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.819 -15.443 3.435 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.767 -16.982 4.897 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.609 -16.276 3.532 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.810 -17.149 1.992 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.011 -17.889 3.365 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.332 -13.477 4.183 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.068 -12.308 3.687 1.00 0.45 C ATOM 1281 C GLN A 79 -11.112 -11.136 3.479 1.00 0.40 C ATOM 1282 O GLN A 79 -11.285 -10.336 2.580 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.118 -11.978 4.732 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.941 -13.235 5.018 1.00 0.49 C ATOM 1285 CD GLN A 79 -15.057 -12.905 6.010 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.169 -13.528 7.047 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.896 -11.945 5.733 1.00 0.45 N ATOM 0 H GLN A 79 -11.570 -13.765 5.132 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.539 -12.512 2.725 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.642 -11.622 5.646 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.765 -11.176 4.377 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.367 -13.621 4.092 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.299 -14.017 5.424 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.803 -11.421 4.863 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.645 -11.718 6.387 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.095 -11.035 4.283 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.124 -9.925 4.103 1.00 0.38 C ATOM 1298 C LYS A 80 -8.227 -10.264 2.912 1.00 0.39 C ATOM 1299 O LYS A 80 -8.004 -9.455 2.033 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.273 -9.782 5.367 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.160 -9.334 6.531 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.417 -9.532 7.853 1.00 0.51 C ATOM 1303 CE LYS A 80 -9.358 -9.219 9.018 1.00 0.51 C ATOM 1304 NZ LYS A 80 -10.208 -8.046 8.668 1.00 1.03 N ATOM 0 H LYS A 80 -9.894 -11.671 5.055 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.648 -8.987 3.923 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.794 -10.732 5.605 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.477 -9.056 5.202 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.433 -8.286 6.410 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -10.088 -9.907 6.535 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -8.055 -10.557 7.929 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.543 -8.882 7.892 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.985 -10.084 9.236 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.781 -9.008 9.919 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -10.564 -7.603 9.539 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -9.643 -7.355 8.134 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -11.011 -8.360 8.087 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.723 -11.468 2.879 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.849 -11.897 1.756 1.00 0.47 C ATOM 1320 C VAL A 81 -7.598 -11.688 0.446 1.00 0.45 C ATOM 1321 O VAL A 81 -7.006 -11.512 -0.598 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.517 -13.386 1.917 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.532 -13.824 0.831 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.885 -13.629 3.289 1.00 0.56 C ATOM 0 H VAL A 81 -7.883 -12.179 3.592 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.927 -11.315 1.755 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.438 -13.962 1.827 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.302 -14.882 0.954 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -5.976 -13.660 -0.151 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.615 -13.242 0.916 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.651 -14.688 3.399 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.970 -13.044 3.377 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.584 -13.329 4.070 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.903 -11.716 0.491 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.695 -11.527 -0.757 1.00 0.44 C ATOM 1336 C LEU A 82 -9.847 -10.048 -1.049 1.00 0.38 C ATOM 1337 O LEU A 82 -9.776 -9.625 -2.180 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.078 -12.170 -0.592 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.755 -12.328 -1.966 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.161 -13.523 -2.733 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.260 -12.547 -1.763 1.00 0.54 C ATOM 0 H LEU A 82 -9.454 -11.861 1.337 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.175 -12.002 -1.589 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -10.980 -13.144 -0.112 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.699 -11.554 0.059 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.583 -11.423 -2.549 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -11.654 -13.616 -3.701 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.093 -13.364 -2.884 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.314 -14.437 -2.159 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.745 -12.660 -2.732 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.420 -13.448 -1.170 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.685 -11.689 -1.242 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.047 -9.252 -0.054 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.183 -7.805 -0.313 1.00 0.32 C ATOM 1355 C ASN A 83 -8.858 -7.302 -0.903 1.00 0.31 C ATOM 1356 O ASN A 83 -8.824 -6.369 -1.686 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.505 -7.086 1.017 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.604 -6.042 0.800 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.390 -4.862 0.992 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.779 -6.440 0.402 1.00 0.36 N ATOM 0 H ASN A 83 -10.122 -9.536 0.923 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.990 -7.603 -1.017 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.826 -7.813 1.764 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.607 -6.605 1.405 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.524 -5.760 0.250 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.954 -7.432 0.242 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.762 -7.928 -0.545 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.444 -7.478 -1.093 1.00 0.37 C ATOM 1369 C VAL A 84 -6.195 -8.125 -2.438 1.00 0.39 C ATOM 1370 O VAL A 84 -5.682 -7.508 -3.335 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.290 -7.840 -0.156 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.990 -7.305 -0.762 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.524 -7.202 1.221 1.00 0.40 C ATOM 0 H VAL A 84 -7.723 -8.721 0.095 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.487 -6.394 -1.194 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.228 -8.922 -0.036 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.154 -7.553 -0.108 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.832 -7.758 -1.741 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.057 -6.222 -0.870 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.701 -7.461 1.887 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.578 -6.118 1.116 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.460 -7.573 1.640 1.00 0.40 H new ATOM 1383 N SER A 85 -6.548 -9.358 -2.594 1.00 0.41 N ATOM 1384 CA SER A 85 -6.321 -10.011 -3.904 1.00 0.46 C ATOM 1385 C SER A 85 -7.169 -9.288 -4.942 1.00 0.42 C ATOM 1386 O SER A 85 -6.857 -9.253 -6.106 1.00 0.45 O ATOM 1387 CB SER A 85 -6.735 -11.481 -3.827 1.00 0.50 C ATOM 1388 OG SER A 85 -6.452 -12.116 -5.067 1.00 0.53 O ATOM 0 H SER A 85 -6.981 -9.942 -1.879 1.00 0.41 H new ATOM 0 HA SER A 85 -5.267 -9.962 -4.176 1.00 0.46 H new ATOM 0 HB2 SER A 85 -6.199 -11.980 -3.020 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.798 -11.560 -3.600 1.00 0.50 H new ATOM 0 HG SER A 85 -6.715 -13.059 -5.019 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.238 -8.701 -4.505 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.139 -7.969 -5.431 1.00 0.36 C ATOM 1396 C PHE A 86 -8.479 -6.662 -5.840 1.00 0.34 C ATOM 1397 O PHE A 86 -8.278 -6.376 -7.000 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.452 -7.685 -4.696 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.245 -6.581 -5.371 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.207 -6.422 -6.761 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.030 -5.722 -4.592 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -11.952 -5.405 -7.370 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.773 -4.704 -5.201 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.734 -4.546 -6.590 1.00 0.32 C ATOM 0 H PHE A 86 -8.533 -8.696 -3.529 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.336 -8.561 -6.325 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.052 -8.594 -4.659 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.238 -7.402 -3.665 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.603 -7.084 -7.364 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.062 -5.845 -3.520 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -11.923 -5.283 -8.443 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.376 -4.041 -4.599 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.307 -3.761 -7.061 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.123 -5.861 -4.895 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.455 -4.587 -5.253 1.00 0.33 C ATOM 1416 C ALA A 87 -6.258 -4.943 -6.127 1.00 0.38 C ATOM 1417 O ALA A 87 -5.956 -4.289 -7.107 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.980 -3.878 -3.987 1.00 0.35 C ATOM 0 H ALA A 87 -8.261 -6.025 -3.898 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.139 -3.921 -5.780 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.490 -2.942 -4.256 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.835 -3.668 -3.345 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.275 -4.517 -3.455 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.591 -6.008 -5.777 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.438 -6.458 -6.541 1.00 0.48 C ATOM 1426 C PHE A 88 -4.891 -6.958 -7.897 1.00 0.48 C ATOM 1427 O PHE A 88 -4.107 -7.089 -8.808 1.00 0.53 O ATOM 1428 CB PHE A 88 -3.758 -7.603 -5.802 1.00 0.52 C ATOM 1429 CG PHE A 88 -2.527 -7.973 -6.570 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -1.524 -7.027 -6.711 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.399 -9.236 -7.156 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -0.374 -7.329 -7.444 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.250 -9.547 -7.886 1.00 0.73 C ATOM 1434 CZ PHE A 88 -0.236 -8.591 -8.033 1.00 0.74 C ATOM 0 H PHE A 88 -5.818 -6.587 -4.969 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.744 -5.627 -6.665 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.499 -7.303 -4.787 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.429 -8.458 -5.721 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -1.632 -6.055 -6.253 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -3.185 -9.968 -7.045 1.00 0.66 H new ATOM 0 HE1 PHE A 88 0.406 -6.591 -7.556 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -1.143 -10.523 -8.337 1.00 0.73 H new ATOM 0 HZ PHE A 88 0.652 -8.828 -8.601 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.143 -7.272 -8.040 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.606 -7.785 -9.356 1.00 0.46 C ATOM 1446 C GLU A 89 -6.741 -6.600 -10.310 1.00 0.43 C ATOM 1447 O GLU A 89 -6.165 -6.586 -11.383 1.00 0.47 O ATOM 1448 CB GLU A 89 -7.946 -8.529 -9.170 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.683 -10.026 -8.976 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.430 -10.689 -10.333 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.333 -10.676 -11.154 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.338 -11.196 -10.528 1.00 0.60 O ATOM 0 H GLU A 89 -6.858 -7.198 -7.316 1.00 0.44 H new ATOM 0 HA GLU A 89 -5.892 -8.492 -9.778 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.479 -8.129 -8.307 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.584 -8.372 -10.040 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -6.822 -10.172 -8.324 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.537 -10.494 -8.486 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.459 -5.589 -9.919 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.589 -4.405 -10.804 1.00 0.37 C ATOM 1461 C LEU A 90 -6.222 -3.748 -10.950 1.00 0.41 C ATOM 1462 O LEU A 90 -5.995 -2.971 -11.855 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.579 -3.402 -10.203 1.00 0.34 C ATOM 1464 CG LEU A 90 -9.995 -3.994 -10.193 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.930 -3.045 -9.430 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.509 -4.183 -11.636 1.00 0.36 C ATOM 0 H LEU A 90 -7.958 -5.531 -9.031 1.00 0.38 H new ATOM 0 HA LEU A 90 -7.959 -4.720 -11.780 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.277 -3.146 -9.187 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.568 -2.478 -10.781 1.00 0.34 H new ATOM 0 HG LEU A 90 -9.974 -4.967 -9.702 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.938 -3.459 -9.419 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.574 -2.929 -8.406 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.943 -2.073 -9.923 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.514 -4.604 -11.612 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.531 -3.219 -12.144 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.845 -4.860 -12.173 1.00 0.36 H new ATOM 1478 N MET A 91 -5.295 -4.058 -10.079 1.00 0.43 N ATOM 1479 CA MET A 91 -3.940 -3.435 -10.217 1.00 0.49 C ATOM 1480 C MET A 91 -3.146 -4.238 -11.237 1.00 0.54 C ATOM 1481 O MET A 91 -2.665 -3.715 -12.223 1.00 0.58 O ATOM 1482 CB MET A 91 -3.203 -3.449 -8.881 1.00 0.52 C ATOM 1483 CG MET A 91 -3.806 -2.401 -7.939 1.00 0.48 C ATOM 1484 SD MET A 91 -3.312 -2.770 -6.236 1.00 0.55 S ATOM 1485 CE MET A 91 -3.980 -1.276 -5.463 1.00 0.60 C ATOM 0 H MET A 91 -5.411 -4.700 -9.295 1.00 0.43 H new ATOM 0 HA MET A 91 -4.049 -2.400 -10.540 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.271 -4.438 -8.429 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.144 -3.243 -9.038 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.466 -1.404 -8.220 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.893 -2.403 -8.023 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.470 -1.097 -4.517 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.826 -0.424 -6.125 1.00 0.60 H new ATOM 0 HE3 MET A 91 -5.047 -1.406 -5.281 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.026 -5.514 -11.015 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.285 -6.377 -11.974 1.00 0.62 C ATOM 1497 C GLN A 92 -2.804 -6.083 -13.378 1.00 0.61 C ATOM 1498 O GLN A 92 -2.111 -6.251 -14.361 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.522 -7.851 -11.633 1.00 0.64 C ATOM 1500 CG GLN A 92 -1.731 -8.734 -12.601 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.844 -10.198 -12.169 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.825 -10.500 -10.992 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -1.961 -11.126 -13.079 1.00 0.67 N ATOM 0 H GLN A 92 -3.412 -6.000 -10.205 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.216 -6.173 -11.917 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.214 -8.052 -10.607 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -3.585 -8.084 -11.698 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.113 -8.613 -13.615 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -0.685 -8.428 -12.616 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.977 -10.872 -14.067 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -2.037 -12.105 -12.802 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.023 -5.615 -13.472 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.592 -5.275 -14.798 1.00 0.54 C ATOM 1514 C ASP A 93 -4.171 -3.849 -15.113 1.00 0.55 C ATOM 1515 O ASP A 93 -3.745 -3.528 -16.205 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.126 -5.376 -14.709 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.703 -5.973 -15.999 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.881 -5.226 -16.947 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -6.954 -7.167 -16.015 1.00 0.75 O ATOM 0 H ASP A 93 -4.646 -5.455 -12.680 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.240 -5.949 -15.579 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.406 -5.996 -13.858 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.552 -4.387 -14.537 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.279 -2.998 -14.139 1.00 0.54 N ATOM 1525 CA GLY A 94 -3.877 -1.585 -14.339 1.00 0.61 C ATOM 1526 C GLY A 94 -2.418 -1.550 -14.787 1.00 0.73 C ATOM 1527 O GLY A 94 -1.910 -0.520 -15.184 1.00 0.82 O ATOM 0 H GLY A 94 -4.630 -3.221 -13.208 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -4.514 -1.113 -15.088 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.002 -1.022 -13.414 1.00 0.61 H new ATOM 1531 N GLY A 95 -1.741 -2.680 -14.745 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.304 -2.723 -15.192 1.00 0.94 C ATOM 1533 C GLY A 95 0.593 -3.356 -14.119 1.00 0.92 C ATOM 1534 O GLY A 95 0.800 -4.553 -14.099 1.00 0.91 O ATOM 0 H GLY A 95 -2.119 -3.571 -14.422 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.225 -3.293 -16.118 1.00 0.94 H new ATOM 0 HA3 GLY A 95 0.042 -1.713 -15.409 1.00 0.94 H new ATOM 1538 N LEU A 96 1.147 -2.555 -13.241 1.00 0.92 N ATOM 1539 CA LEU A 96 2.051 -3.085 -12.190 1.00 0.91 C ATOM 1540 C LEU A 96 3.165 -3.872 -12.873 1.00 0.94 C ATOM 1541 O LEU A 96 4.206 -3.341 -13.195 1.00 0.95 O ATOM 1542 CB LEU A 96 1.241 -3.985 -11.233 1.00 0.89 C ATOM 1543 CG LEU A 96 0.826 -3.213 -9.961 1.00 0.87 C ATOM 1544 CD1 LEU A 96 2.064 -2.859 -9.109 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.069 -1.930 -10.351 1.00 0.86 C ATOM 0 H LEU A 96 1.005 -1.545 -13.213 1.00 0.92 H new ATOM 0 HA LEU A 96 2.491 -2.276 -11.606 1.00 0.91 H new ATOM 0 HB2 LEU A 96 0.352 -4.356 -11.743 1.00 0.89 H new ATOM 0 HB3 LEU A 96 1.836 -4.855 -10.956 1.00 0.89 H new ATOM 0 HG LEU A 96 0.171 -3.850 -9.367 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.749 -2.316 -8.218 1.00 0.93 H new ATOM 0 HD12 LEU A 96 2.576 -3.775 -8.814 1.00 0.93 H new ATOM 0 HD13 LEU A 96 2.742 -2.236 -9.693 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.221 -1.390 -9.449 1.00 0.86 H new ATOM 0 HD22 LEU A 96 0.714 -1.298 -10.961 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.823 -2.193 -10.919 1.00 0.86 H new ATOM 1557 N GLU A 97 2.925 -5.123 -13.099 1.00 0.96 N ATOM 1558 CA GLU A 97 3.928 -6.015 -13.774 1.00 1.00 C ATOM 1559 C GLU A 97 3.534 -7.471 -13.524 1.00 0.99 C ATOM 1560 O GLU A 97 2.510 -7.945 -13.976 1.00 0.99 O ATOM 1561 CB GLU A 97 5.341 -5.796 -13.190 1.00 1.05 C ATOM 1562 CG GLU A 97 5.263 -5.697 -11.650 1.00 1.13 C ATOM 1563 CD GLU A 97 6.556 -6.230 -11.022 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.819 -7.412 -11.169 1.00 1.37 O ATOM 1565 OE2 GLU A 97 7.259 -5.446 -10.406 1.00 1.27 O ATOM 0 H GLU A 97 2.055 -5.589 -12.842 1.00 0.96 H new ATOM 0 HA GLU A 97 3.939 -5.782 -14.839 1.00 1.00 H new ATOM 0 HB2 GLU A 97 5.995 -6.619 -13.478 1.00 1.05 H new ATOM 0 HB3 GLU A 97 5.777 -4.885 -13.600 1.00 1.05 H new ATOM 0 HG2 GLU A 97 5.105 -4.661 -11.352 1.00 1.13 H new ATOM 0 HG3 GLU A 97 4.409 -6.268 -11.284 1.00 1.13 H new ATOM 1572 N LYS A 98 4.355 -8.168 -12.785 1.00 1.02 N ATOM 1573 CA LYS A 98 4.088 -9.601 -12.446 1.00 1.01 C ATOM 1574 C LYS A 98 4.058 -9.728 -10.907 1.00 1.00 C ATOM 1575 O LYS A 98 4.925 -9.180 -10.255 1.00 1.04 O ATOM 1576 CB LYS A 98 5.222 -10.470 -12.998 1.00 1.08 C ATOM 1577 CG LYS A 98 5.119 -10.540 -14.523 1.00 1.09 C ATOM 1578 CD LYS A 98 6.419 -11.111 -15.101 1.00 1.13 C ATOM 1579 CE LYS A 98 6.616 -12.553 -14.620 1.00 1.16 C ATOM 1580 NZ LYS A 98 7.193 -12.544 -13.246 1.00 1.18 N ATOM 0 H LYS A 98 5.220 -7.797 -12.392 1.00 1.02 H new ATOM 0 HA LYS A 98 3.141 -9.925 -12.877 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.187 -10.054 -12.707 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.166 -11.472 -12.573 1.00 1.08 H new ATOM 0 HG2 LYS A 98 4.275 -11.166 -14.812 1.00 1.09 H new ATOM 0 HG3 LYS A 98 4.933 -9.546 -14.931 1.00 1.09 H new ATOM 0 HD2 LYS A 98 6.386 -11.083 -16.190 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.265 -10.497 -14.792 1.00 1.13 H new ATOM 0 HE2 LYS A 98 5.663 -13.082 -14.622 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.279 -13.087 -15.301 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 7.999 -13.200 -13.204 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 7.516 -11.584 -13.011 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 6.468 -12.842 -12.563 1.00 1.18 H new ATOM 1594 N PRO A 99 3.081 -10.420 -10.341 1.00 0.93 N ATOM 1595 CA PRO A 99 3.007 -10.554 -8.874 1.00 0.91 C ATOM 1596 C PRO A 99 4.300 -11.116 -8.291 1.00 0.98 C ATOM 1597 O PRO A 99 4.960 -11.949 -8.880 1.00 1.02 O ATOM 1598 CB PRO A 99 1.826 -11.510 -8.608 1.00 0.84 C ATOM 1599 CG PRO A 99 1.177 -11.842 -9.983 1.00 0.82 C ATOM 1600 CD PRO A 99 1.994 -11.110 -11.074 1.00 0.88 C ATOM 0 HA PRO A 99 2.864 -9.584 -8.398 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.172 -12.420 -8.117 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.099 -11.045 -7.942 1.00 0.84 H new ATOM 0 HG2 PRO A 99 1.181 -12.918 -10.159 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.136 -11.520 -10.003 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.395 -11.812 -11.805 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.374 -10.400 -11.621 1.00 0.88 H new ATOM 1608 N LYS A 100 4.643 -10.654 -7.118 1.00 0.98 N ATOM 1609 CA LYS A 100 5.860 -11.112 -6.420 1.00 1.05 C ATOM 1610 C LYS A 100 5.461 -11.708 -5.041 1.00 1.02 C ATOM 1611 O LYS A 100 5.692 -12.881 -4.824 1.00 1.04 O ATOM 1612 CB LYS A 100 6.879 -9.946 -6.291 1.00 1.11 C ATOM 1613 CG LYS A 100 6.315 -8.580 -6.823 1.00 1.18 C ATOM 1614 CD LYS A 100 6.842 -8.284 -8.246 1.00 1.25 C ATOM 1615 CE LYS A 100 8.214 -7.571 -8.183 1.00 1.22 C ATOM 1616 NZ LYS A 100 9.084 -8.084 -9.279 1.00 1.30 N ATOM 0 H LYS A 100 4.105 -9.955 -6.606 1.00 0.98 H new ATOM 0 HA LYS A 100 6.352 -11.896 -6.995 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.164 -9.833 -5.245 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.785 -10.199 -6.842 1.00 1.11 H new ATOM 0 HG2 LYS A 100 5.225 -8.611 -6.833 1.00 1.18 H new ATOM 0 HG3 LYS A 100 6.605 -7.774 -6.148 1.00 1.18 H new ATOM 0 HD2 LYS A 100 6.935 -9.215 -8.806 1.00 1.25 H new ATOM 0 HD3 LYS A 100 6.127 -7.660 -8.782 1.00 1.25 H new ATOM 0 HE2 LYS A 100 8.082 -6.493 -8.281 1.00 1.22 H new ATOM 0 HE3 LYS A 100 8.685 -7.747 -7.216 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 9.961 -7.527 -9.316 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.315 -9.082 -9.100 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 8.583 -8.002 -10.187 1.00 1.30 H new ATOM 1630 N PRO A 101 4.851 -10.933 -4.148 1.00 0.97 N ATOM 1631 CA PRO A 101 4.422 -11.462 -2.841 1.00 0.95 C ATOM 1632 C PRO A 101 3.029 -12.076 -3.034 1.00 0.89 C ATOM 1633 O PRO A 101 2.686 -12.478 -4.129 1.00 0.89 O ATOM 1634 CB PRO A 101 4.376 -10.209 -1.971 1.00 0.92 C ATOM 1635 CG PRO A 101 4.051 -9.050 -2.913 1.00 0.92 C ATOM 1636 CD PRO A 101 4.535 -9.490 -4.312 1.00 0.95 C ATOM 0 HA PRO A 101 5.060 -12.231 -2.405 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.619 -10.303 -1.193 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.330 -10.048 -1.469 1.00 0.92 H new ATOM 0 HG2 PRO A 101 2.981 -8.840 -2.918 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.554 -8.136 -2.596 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.765 -9.334 -5.068 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.411 -8.923 -4.627 1.00 0.95 H new ATOM 1644 N ARG A 102 2.222 -12.156 -2.005 1.00 0.84 N ATOM 1645 CA ARG A 102 0.853 -12.748 -2.162 1.00 0.79 C ATOM 1646 C ARG A 102 -0.174 -11.917 -1.358 1.00 0.71 C ATOM 1647 O ARG A 102 0.167 -11.403 -0.314 1.00 0.71 O ATOM 1648 CB ARG A 102 0.888 -14.181 -1.632 1.00 0.83 C ATOM 1649 CG ARG A 102 2.140 -14.872 -2.176 1.00 0.92 C ATOM 1650 CD ARG A 102 1.994 -16.392 -2.060 1.00 0.96 C ATOM 1651 NE ARG A 102 1.441 -16.750 -0.712 1.00 1.05 N ATOM 1652 CZ ARG A 102 2.031 -16.376 0.391 1.00 1.11 C ATOM 1653 NH1 ARG A 102 3.218 -15.834 0.356 1.00 1.09 N ATOM 1654 NH2 ARG A 102 1.455 -16.597 1.541 1.00 1.18 N ATOM 0 H ARG A 102 2.450 -11.838 -1.063 1.00 0.84 H new ATOM 0 HA ARG A 102 0.559 -12.742 -3.212 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.899 -14.181 -0.542 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.007 -14.721 -1.942 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.296 -14.592 -3.218 1.00 0.92 H new ATOM 0 HG3 ARG A 102 3.018 -14.540 -1.622 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.334 -16.764 -2.844 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.962 -16.871 -2.205 1.00 0.96 H new ATOM 0 HE ARG A 102 0.583 -17.299 -0.656 1.00 1.05 H new ATOM 0 HH11 ARG A 102 3.691 -15.700 -0.538 1.00 1.09 H new ATOM 0 HH12 ARG A 102 3.672 -15.544 1.222 1.00 1.09 H new ATOM 0 HH21 ARG A 102 0.547 -17.060 1.576 1.00 1.18 H new ATOM 0 HH22 ARG A 102 1.913 -16.306 2.405 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.410 -11.820 -1.842 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.474 -11.065 -1.140 1.00 0.59 C ATOM 1670 C PRO A 103 -2.398 -11.338 0.363 1.00 0.59 C ATOM 1671 O PRO A 103 -2.834 -10.548 1.177 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.780 -11.590 -1.762 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.389 -12.250 -3.110 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.857 -12.453 -3.097 1.00 0.67 C ATOM 0 HA PRO A 103 -2.389 -9.984 -1.250 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.262 -12.311 -1.102 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.490 -10.778 -1.919 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.902 -13.204 -3.233 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.686 -11.618 -3.947 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.597 -13.511 -3.122 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.388 -11.989 -3.964 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.821 -12.445 0.728 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.679 -12.781 2.165 1.00 0.65 C ATOM 1684 C GLU A 104 -0.489 -12.009 2.719 1.00 0.67 C ATOM 1685 O GLU A 104 -0.609 -11.226 3.636 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.410 -14.280 2.306 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.584 -15.069 1.726 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.270 -16.566 1.782 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.201 -16.944 1.332 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.104 -17.308 2.274 1.00 0.82 O ATOM 0 H GLU A 104 -1.438 -13.137 0.084 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.588 -12.521 2.707 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.489 -14.545 1.787 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.269 -14.537 3.356 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.493 -14.856 2.289 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.768 -14.763 0.696 1.00 0.71 H new ATOM 1697 N ASP A 105 0.653 -12.228 2.133 1.00 0.73 N ATOM 1698 CA ASP A 105 1.905 -11.546 2.561 1.00 0.78 C ATOM 1699 C ASP A 105 1.613 -10.079 2.888 1.00 0.73 C ATOM 1700 O ASP A 105 2.290 -9.457 3.683 1.00 0.77 O ATOM 1701 CB ASP A 105 2.882 -11.639 1.389 1.00 0.83 C ATOM 1702 CG ASP A 105 3.027 -13.102 0.967 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.225 -13.907 1.409 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.938 -13.392 0.210 1.00 0.94 O ATOM 0 H ASP A 105 0.774 -12.871 1.351 1.00 0.73 H new ATOM 0 HA ASP A 105 2.322 -12.012 3.454 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.522 -11.041 0.552 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.852 -11.233 1.676 1.00 0.83 H new ATOM 1709 N ILE A 106 0.585 -9.541 2.302 1.00 0.67 N ATOM 1710 CA ILE A 106 0.198 -8.124 2.590 1.00 0.64 C ATOM 1711 C ILE A 106 -0.693 -8.140 3.836 1.00 0.59 C ATOM 1712 O ILE A 106 -0.300 -7.699 4.898 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.569 -7.499 1.388 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.368 -8.331 0.110 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.079 -6.071 1.122 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.108 -8.317 -0.316 1.00 0.72 C ATOM 0 H ILE A 106 -0.013 -10.021 1.629 1.00 0.67 H new ATOM 0 HA ILE A 106 1.089 -7.517 2.755 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.627 -7.487 1.649 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.693 -9.357 0.282 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.988 -7.931 -0.692 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.626 -5.650 0.279 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.248 -5.458 2.007 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.986 -6.089 0.891 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.231 -8.911 -1.222 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.421 -7.291 -0.509 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.721 -8.739 0.481 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.888 -8.677 3.710 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.812 -8.765 4.886 1.00 0.51 C ATOM 1730 C VAL A 107 -2.004 -9.249 6.094 1.00 0.53 C ATOM 1731 O VAL A 107 -2.262 -8.892 7.226 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.894 -9.822 4.572 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.635 -10.273 5.847 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.896 -9.261 3.565 1.00 0.46 C ATOM 0 H VAL A 107 -2.261 -9.058 2.841 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.269 -7.797 5.091 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.394 -10.692 4.147 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.388 -11.016 5.586 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.922 -10.709 6.547 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.119 -9.413 6.310 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.655 -10.013 3.350 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.372 -8.374 3.982 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.377 -8.996 2.644 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.037 -10.084 5.835 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.194 -10.646 6.925 1.00 0.63 C ATOM 1746 C ASN A 108 0.505 -9.518 7.699 1.00 0.63 C ATOM 1747 O ASN A 108 1.370 -9.766 8.515 1.00 0.66 O ATOM 1748 CB ASN A 108 0.866 -11.568 6.290 1.00 0.69 C ATOM 1749 CG ASN A 108 1.319 -12.625 7.303 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.495 -13.777 6.959 1.00 1.33 O ATOM 1751 ND2 ASN A 108 1.517 -12.278 8.546 1.00 1.35 N ATOM 0 H ASN A 108 -0.792 -10.405 4.899 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.820 -11.204 7.621 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.454 -12.054 5.406 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.722 -10.979 5.960 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.819 -12.974 9.228 1.00 1.35 H new ATOM 0 HD22 ASN A 108 1.369 -11.311 8.835 1.00 1.35 H new ATOM 1758 N CYS A 109 0.140 -8.288 7.456 1.00 0.61 N ATOM 1759 CA CYS A 109 0.782 -7.157 8.184 1.00 0.63 C ATOM 1760 C CYS A 109 2.299 -7.215 8.004 1.00 0.70 C ATOM 1761 O CYS A 109 3.018 -6.382 8.519 1.00 0.85 O ATOM 1762 CB CYS A 109 0.443 -7.245 9.675 1.00 0.62 C ATOM 1763 SG CYS A 109 1.052 -5.764 10.518 1.00 0.66 S ATOM 0 H CYS A 109 -0.577 -8.018 6.783 1.00 0.61 H new ATOM 0 HA CYS A 109 0.407 -6.217 7.780 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.635 -7.336 9.809 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.895 -8.136 10.110 1.00 0.62 H new ATOM 0 HG CYS A 109 2.196 -5.415 10.009 1.00 0.66 H new ATOM 1769 N ASP A 110 2.803 -8.176 7.273 1.00 0.72 N ATOM 1770 CA ASP A 110 4.268 -8.237 7.080 1.00 0.79 C ATOM 1771 C ASP A 110 4.698 -6.988 6.339 1.00 0.81 C ATOM 1772 O ASP A 110 3.922 -6.345 5.661 1.00 0.80 O ATOM 1773 CB ASP A 110 4.668 -9.468 6.271 1.00 0.84 C ATOM 1774 CG ASP A 110 4.106 -10.727 6.932 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.528 -10.604 7.999 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.264 -11.793 6.360 1.00 0.98 O ATOM 0 H ASP A 110 2.265 -8.909 6.810 1.00 0.72 H new ATOM 0 HA ASP A 110 4.755 -8.302 8.053 1.00 0.79 H new ATOM 0 HB2 ASP A 110 4.292 -9.383 5.252 1.00 0.84 H new ATOM 0 HB3 ASP A 110 5.754 -9.534 6.206 1.00 0.84 H new ATOM 1781 N LEU A 111 5.930 -6.646 6.471 1.00 0.89 N ATOM 1782 CA LEU A 111 6.471 -5.443 5.796 1.00 0.93 C ATOM 1783 C LEU A 111 7.192 -5.877 4.527 1.00 0.97 C ATOM 1784 O LEU A 111 6.941 -5.390 3.467 1.00 0.96 O ATOM 1785 CB LEU A 111 7.453 -4.745 6.756 1.00 1.02 C ATOM 1786 CG LEU A 111 6.688 -3.793 7.702 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.475 -3.605 9.003 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.503 -2.424 7.032 1.00 1.12 C ATOM 0 H LEU A 111 6.610 -7.159 7.032 1.00 0.89 H new ATOM 0 HA LEU A 111 5.670 -4.752 5.533 1.00 0.93 H new ATOM 0 HB2 LEU A 111 7.995 -5.490 7.338 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.194 -4.185 6.186 1.00 1.02 H new ATOM 0 HG LEU A 111 5.714 -4.230 7.921 1.00 1.06 H new ATOM 0 HD11 LEU A 111 6.929 -2.932 9.665 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.604 -4.570 9.493 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.453 -3.178 8.778 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.963 -1.759 7.706 1.00 1.12 H new ATOM 0 HD22 LEU A 111 7.479 -1.995 6.805 1.00 1.12 H new ATOM 0 HD23 LEU A 111 5.936 -2.544 6.109 1.00 1.12 H new ATOM 1800 N LYS A 112 8.103 -6.782 4.659 1.00 1.00 N ATOM 1801 CA LYS A 112 8.906 -7.271 3.498 1.00 1.04 C ATOM 1802 C LYS A 112 8.137 -7.230 2.169 1.00 1.02 C ATOM 1803 O LYS A 112 8.344 -6.379 1.319 1.00 1.04 O ATOM 1804 CB LYS A 112 9.244 -8.725 3.813 1.00 1.06 C ATOM 1805 CG LYS A 112 10.042 -9.328 2.663 1.00 1.12 C ATOM 1806 CD LYS A 112 10.695 -10.649 3.101 1.00 1.15 C ATOM 1807 CE LYS A 112 11.748 -10.403 4.198 1.00 1.20 C ATOM 1808 NZ LYS A 112 12.844 -11.404 4.062 1.00 1.17 N ATOM 0 H LYS A 112 8.339 -7.223 5.548 1.00 1.00 H new ATOM 0 HA LYS A 112 9.779 -6.631 3.371 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.819 -8.783 4.737 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.329 -9.295 3.971 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.387 -9.504 1.810 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.809 -8.626 2.336 1.00 1.12 H new ATOM 0 HD2 LYS A 112 9.931 -11.332 3.471 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.164 -11.130 2.243 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.150 -9.393 4.113 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.289 -10.481 5.183 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 13.557 -11.241 4.801 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.453 -12.362 4.163 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 13.288 -11.308 3.126 1.00 1.17 H new ATOM 1822 N SER A 113 7.272 -8.160 1.988 1.00 0.98 N ATOM 1823 CA SER A 113 6.481 -8.245 0.733 1.00 0.96 C ATOM 1824 C SER A 113 5.719 -6.934 0.475 1.00 0.92 C ATOM 1825 O SER A 113 5.869 -6.283 -0.547 1.00 0.94 O ATOM 1826 CB SER A 113 5.472 -9.370 0.953 1.00 0.92 C ATOM 1827 OG SER A 113 5.311 -9.567 2.352 1.00 0.90 O ATOM 0 H SER A 113 7.066 -8.890 2.669 1.00 0.98 H new ATOM 0 HA SER A 113 7.131 -8.425 -0.123 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.516 -9.116 0.494 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.819 -10.288 0.479 1.00 0.92 H new ATOM 0 HG SER A 113 5.710 -10.424 2.610 1.00 0.90 H new ATOM 1833 N THR A 114 4.886 -6.583 1.404 1.00 0.88 N ATOM 1834 CA THR A 114 4.053 -5.352 1.295 1.00 0.85 C ATOM 1835 C THR A 114 4.890 -4.212 0.713 1.00 0.89 C ATOM 1836 O THR A 114 4.451 -3.475 -0.139 1.00 0.89 O ATOM 1837 CB THR A 114 3.502 -5.018 2.714 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.098 -4.828 2.634 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.137 -3.753 3.321 1.00 0.84 C ATOM 0 H THR A 114 4.740 -7.112 2.264 1.00 0.88 H new ATOM 0 HA THR A 114 3.210 -5.502 0.620 1.00 0.85 H new ATOM 0 HB THR A 114 3.755 -5.857 3.362 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.745 -4.619 3.524 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.714 -3.572 4.309 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.215 -3.893 3.408 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.933 -2.898 2.676 1.00 0.84 H new ATOM 1847 N LEU A 115 6.090 -4.076 1.166 1.00 0.95 N ATOM 1848 CA LEU A 115 6.961 -3.002 0.660 1.00 1.00 C ATOM 1849 C LEU A 115 7.198 -3.211 -0.825 1.00 1.02 C ATOM 1850 O LEU A 115 7.142 -2.293 -1.595 1.00 1.02 O ATOM 1851 CB LEU A 115 8.306 -3.053 1.394 1.00 1.06 C ATOM 1852 CG LEU A 115 8.178 -2.448 2.808 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.240 -3.069 3.724 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.391 -0.927 2.749 1.00 1.06 C ATOM 0 H LEU A 115 6.511 -4.673 1.877 1.00 0.95 H new ATOM 0 HA LEU A 115 6.486 -2.035 0.827 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.649 -4.085 1.464 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.058 -2.505 0.825 1.00 1.06 H new ATOM 0 HG LEU A 115 7.182 -2.658 3.198 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.152 -2.644 4.724 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.091 -4.148 3.774 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.232 -2.858 3.326 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.299 -0.508 3.751 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.385 -0.714 2.356 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.640 -0.479 2.098 1.00 1.06 H new ATOM 1866 N ARG A 116 7.488 -4.406 -1.237 1.00 1.03 N ATOM 1867 CA ARG A 116 7.760 -4.612 -2.692 1.00 1.05 C ATOM 1868 C ARG A 116 6.585 -4.113 -3.563 1.00 1.01 C ATOM 1869 O ARG A 116 6.778 -3.376 -4.509 1.00 1.04 O ATOM 1870 CB ARG A 116 8.014 -6.111 -2.937 1.00 1.04 C ATOM 1871 CG ARG A 116 9.240 -6.315 -3.845 1.00 1.10 C ATOM 1872 CD ARG A 116 9.345 -7.789 -4.233 1.00 1.10 C ATOM 1873 NE ARG A 116 10.648 -8.038 -4.913 1.00 1.16 N ATOM 1874 CZ ARG A 116 11.089 -9.259 -5.047 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.407 -10.256 -4.555 1.00 1.13 N ATOM 1876 NH2 ARG A 116 12.213 -9.481 -5.670 1.00 1.23 N ATOM 0 H ARG A 116 7.550 -5.238 -0.650 1.00 1.03 H new ATOM 0 HA ARG A 116 8.639 -4.033 -2.976 1.00 1.05 H new ATOM 0 HB2 ARG A 116 8.172 -6.618 -1.985 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.135 -6.563 -3.397 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.151 -5.698 -4.739 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.146 -5.998 -3.328 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.262 -8.416 -3.345 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.521 -8.061 -4.893 1.00 1.10 H new ATOM 0 HE ARG A 116 11.194 -7.255 -5.273 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.529 -10.081 -4.066 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.751 -11.210 -4.660 1.00 1.13 H new ATOM 0 HH21 ARG A 116 12.747 -8.701 -6.052 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.558 -10.435 -5.775 1.00 1.23 H new ATOM 1890 N VAL A 117 5.385 -4.534 -3.275 1.00 0.95 N ATOM 1891 CA VAL A 117 4.215 -4.120 -4.118 1.00 0.91 C ATOM 1892 C VAL A 117 3.854 -2.641 -3.917 1.00 0.92 C ATOM 1893 O VAL A 117 3.548 -1.938 -4.863 1.00 0.94 O ATOM 1894 CB VAL A 117 3.004 -5.017 -3.764 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.681 -4.335 -4.153 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.113 -6.343 -4.525 1.00 0.85 C ATOM 0 H VAL A 117 5.158 -5.148 -2.493 1.00 0.95 H new ATOM 0 HA VAL A 117 4.485 -4.243 -5.167 1.00 0.91 H new ATOM 0 HB VAL A 117 3.011 -5.190 -2.688 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.846 -4.986 -3.894 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.586 -3.392 -3.615 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.672 -4.143 -5.226 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.261 -6.976 -4.277 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.120 -6.148 -5.597 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.036 -6.850 -4.243 1.00 0.85 H new ATOM 1906 N LEU A 118 3.858 -2.165 -2.715 1.00 0.91 N ATOM 1907 CA LEU A 118 3.479 -0.747 -2.498 1.00 0.92 C ATOM 1908 C LEU A 118 4.546 0.147 -3.112 1.00 0.98 C ATOM 1909 O LEU A 118 4.254 1.185 -3.670 1.00 1.00 O ATOM 1910 CB LEU A 118 3.325 -0.490 -0.994 1.00 0.92 C ATOM 1911 CG LEU A 118 1.901 -0.925 -0.528 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.961 -1.568 0.860 1.00 0.86 C ATOM 1913 CD2 LEU A 118 0.970 0.294 -0.474 1.00 0.81 C ATOM 0 H LEU A 118 4.105 -2.689 -1.875 1.00 0.91 H new ATOM 0 HA LEU A 118 2.526 -0.524 -2.978 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.084 -1.044 -0.441 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.481 0.567 -0.778 1.00 0.92 H new ATOM 0 HG LEU A 118 1.517 -1.652 -1.244 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.958 -1.865 1.167 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.605 -2.447 0.826 1.00 0.86 H new ATOM 0 HD13 LEU A 118 2.363 -0.851 1.576 1.00 0.86 H new ATOM 0 HD21 LEU A 118 -0.022 -0.020 -0.148 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.369 1.026 0.229 1.00 0.81 H new ATOM 0 HD23 LEU A 118 0.901 0.743 -1.465 1.00 0.81 H new ATOM 1925 N TYR A 119 5.773 -0.266 -3.055 1.00 1.03 N ATOM 1926 CA TYR A 119 6.845 0.534 -3.679 1.00 1.09 C ATOM 1927 C TYR A 119 6.516 0.625 -5.154 1.00 1.08 C ATOM 1928 O TYR A 119 6.457 1.681 -5.738 1.00 1.11 O ATOM 1929 CB TYR A 119 8.168 -0.198 -3.511 1.00 1.13 C ATOM 1930 CG TYR A 119 9.290 0.694 -3.946 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.774 1.672 -3.080 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.840 0.538 -5.213 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.824 2.506 -3.487 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.889 1.366 -5.629 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.382 2.352 -4.764 1.00 1.34 C ATOM 1936 OH TYR A 119 12.418 3.171 -5.168 1.00 1.41 O ATOM 0 H TYR A 119 6.079 -1.127 -2.601 1.00 1.03 H new ATOM 0 HA TYR A 119 6.921 1.523 -3.226 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.304 -0.491 -2.470 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.167 -1.114 -4.102 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.341 1.787 -2.097 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.457 -0.223 -5.877 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.202 3.265 -2.819 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.317 1.245 -6.613 1.00 1.31 H new ATOM 0 HH TYR A 119 12.689 2.931 -6.079 1.00 1.41 H new ATOM 1946 N ASN A 120 6.287 -0.506 -5.742 1.00 1.06 N ATOM 1947 CA ASN A 120 5.934 -0.565 -7.183 1.00 1.05 C ATOM 1948 C ASN A 120 4.880 0.517 -7.498 1.00 1.03 C ATOM 1949 O ASN A 120 4.937 1.182 -8.520 1.00 1.05 O ATOM 1950 CB ASN A 120 5.367 -1.975 -7.476 1.00 1.01 C ATOM 1951 CG ASN A 120 5.851 -2.473 -8.844 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.753 -1.769 -9.829 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.373 -3.665 -8.945 1.00 1.06 N ATOM 0 H ASN A 120 6.330 -1.413 -5.277 1.00 1.06 H new ATOM 0 HA ASN A 120 6.810 -0.382 -7.806 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.682 -2.669 -6.697 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.278 -1.947 -7.457 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.698 -4.004 -9.850 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.456 -4.257 -8.119 1.00 1.06 H new ATOM 1960 N LEU A 121 3.923 0.709 -6.625 1.00 0.99 N ATOM 1961 CA LEU A 121 2.890 1.748 -6.888 1.00 0.97 C ATOM 1962 C LEU A 121 3.540 3.119 -6.764 1.00 1.03 C ATOM 1963 O LEU A 121 3.610 3.855 -7.718 1.00 1.05 O ATOM 1964 CB LEU A 121 1.754 1.641 -5.861 1.00 0.92 C ATOM 1965 CG LEU A 121 0.647 0.710 -6.374 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.183 -0.717 -6.479 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.531 0.739 -5.397 1.00 0.87 C ATOM 0 H LEU A 121 3.815 0.195 -5.751 1.00 0.99 H new ATOM 0 HA LEU A 121 2.479 1.605 -7.887 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.145 1.263 -4.916 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.342 2.630 -5.663 1.00 0.92 H new ATOM 0 HG LEU A 121 0.318 1.046 -7.357 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.395 -1.376 -6.843 1.00 0.86 H new ATOM 0 HD12 LEU A 121 2.024 -0.740 -7.172 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.513 -1.055 -5.497 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.320 0.079 -5.758 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.198 0.403 -4.415 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.916 1.756 -5.321 1.00 0.87 H new ATOM 1979 N PHE A 122 4.007 3.470 -5.587 1.00 1.05 N ATOM 1980 CA PHE A 122 4.642 4.798 -5.392 1.00 1.11 C ATOM 1981 C PHE A 122 5.501 5.143 -6.587 1.00 1.16 C ATOM 1982 O PHE A 122 5.690 6.284 -6.929 1.00 1.20 O ATOM 1983 CB PHE A 122 5.531 4.720 -4.127 1.00 1.14 C ATOM 1984 CG PHE A 122 5.585 6.054 -3.435 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.404 6.608 -2.984 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.801 6.723 -3.246 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.411 7.849 -2.331 1.00 1.20 C ATOM 1988 CE2 PHE A 122 6.818 7.962 -2.594 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.621 8.526 -2.136 1.00 1.27 C ATOM 0 H PHE A 122 3.971 2.884 -4.753 1.00 1.05 H new ATOM 0 HA PHE A 122 3.876 5.566 -5.280 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.137 3.966 -3.445 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.538 4.406 -4.402 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.472 6.084 -3.134 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.722 6.285 -3.602 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.486 8.281 -1.980 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.753 8.482 -2.445 1.00 1.29 H new ATOM 0 HZ PHE A 122 5.631 9.482 -1.633 1.00 1.27 H new ATOM 1999 N THR A 123 5.992 4.162 -7.229 1.00 1.15 N ATOM 2000 CA THR A 123 6.838 4.424 -8.414 1.00 1.20 C ATOM 2001 C THR A 123 5.974 4.934 -9.558 1.00 1.18 C ATOM 2002 O THR A 123 6.256 5.946 -10.167 1.00 1.22 O ATOM 2003 CB THR A 123 7.542 3.135 -8.844 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.246 2.588 -7.738 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.524 3.440 -9.978 1.00 1.27 C ATOM 0 H THR A 123 5.853 3.179 -6.996 1.00 1.15 H new ATOM 0 HA THR A 123 7.585 5.176 -8.159 1.00 1.20 H new ATOM 0 HB THR A 123 6.801 2.416 -9.193 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.606 2.240 -7.082 1.00 1.22 H new ATOM 0 HG21 THR A 123 9.024 2.521 -10.283 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.982 3.857 -10.827 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.266 4.160 -9.633 1.00 1.27 H new ATOM 2013 N LYS A 124 4.941 4.222 -9.874 1.00 1.12 N ATOM 2014 CA LYS A 124 4.079 4.621 -11.013 1.00 1.10 C ATOM 2015 C LYS A 124 3.146 5.795 -10.700 1.00 1.10 C ATOM 2016 O LYS A 124 2.670 6.443 -11.612 1.00 1.11 O ATOM 2017 CB LYS A 124 3.225 3.427 -11.384 1.00 1.04 C ATOM 2018 CG LYS A 124 4.104 2.305 -11.921 1.00 1.04 C ATOM 2019 CD LYS A 124 3.233 1.051 -12.143 1.00 0.99 C ATOM 2020 CE LYS A 124 3.628 0.390 -13.461 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.744 -0.774 -13.730 1.00 0.92 N ATOM 0 H LYS A 124 4.652 3.372 -9.390 1.00 1.12 H new ATOM 0 HA LYS A 124 4.736 4.944 -11.820 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.671 3.080 -10.512 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.489 3.715 -12.135 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.573 2.609 -12.857 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.908 2.086 -11.218 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.365 0.351 -11.318 1.00 0.99 H new ATOM 0 HD3 LYS A 124 2.178 1.325 -12.162 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.553 1.110 -14.276 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.668 0.065 -13.417 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.324 -1.627 -13.862 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 2.100 -0.914 -12.925 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.188 -0.596 -14.591 1.00 0.92 H new ATOM 2035 N TYR A 125 2.835 6.063 -9.455 1.00 1.10 N ATOM 2036 CA TYR A 125 1.878 7.185 -9.155 1.00 1.11 C ATOM 2037 C TYR A 125 2.615 8.384 -8.553 1.00 1.17 C ATOM 2038 O TYR A 125 2.074 9.462 -8.441 1.00 1.20 O ATOM 2039 CB TYR A 125 0.803 6.668 -8.204 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.148 5.761 -8.968 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.261 4.477 -9.371 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.439 6.209 -9.283 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.619 3.653 -10.082 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.316 5.380 -9.994 1.00 0.94 C ATOM 2045 CZ TYR A 125 -1.906 4.104 -10.393 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.771 3.289 -11.094 1.00 0.86 O ATOM 0 H TYR A 125 3.194 5.564 -8.641 1.00 1.10 H new ATOM 0 HA TYR A 125 1.411 7.526 -10.079 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.262 6.122 -7.380 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.255 7.503 -7.767 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.254 4.127 -9.132 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.757 7.195 -8.977 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.304 2.667 -10.391 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.310 5.727 -10.234 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.624 3.754 -11.226 1.00 0.86 H new ATOM 2056 N ARG A 126 3.843 8.201 -8.180 1.00 1.20 N ATOM 2057 CA ARG A 126 4.655 9.306 -7.607 1.00 1.27 C ATOM 2058 C ARG A 126 4.416 10.607 -8.398 1.00 1.31 C ATOM 2059 O ARG A 126 4.536 11.697 -7.874 1.00 1.35 O ATOM 2060 CB ARG A 126 6.135 8.852 -7.684 1.00 1.31 C ATOM 2061 CG ARG A 126 7.042 9.976 -8.161 1.00 1.38 C ATOM 2062 CD ARG A 126 8.497 9.514 -8.126 1.00 1.42 C ATOM 2063 NE ARG A 126 8.812 8.860 -6.812 1.00 1.49 N ATOM 2064 CZ ARG A 126 8.650 9.486 -5.678 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.357 10.757 -5.657 1.00 1.50 N ATOM 2066 NH2 ARG A 126 8.836 8.849 -4.557 1.00 1.59 N ATOM 0 H ARG A 126 4.333 7.309 -8.249 1.00 1.20 H new ATOM 0 HA ARG A 126 4.379 9.516 -6.574 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.463 8.511 -6.702 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.221 8.002 -8.361 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.769 10.272 -9.174 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.914 10.853 -7.527 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.682 8.814 -8.941 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.159 10.366 -8.282 1.00 1.42 H new ATOM 0 HE ARG A 126 9.162 7.902 -6.805 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.252 11.271 -6.532 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.232 11.237 -4.766 1.00 1.50 H new ATOM 0 HH21 ARG A 126 9.107 7.866 -4.568 1.00 1.59 H new ATOM 0 HH22 ARG A 126 8.711 9.334 -3.668 1.00 1.59 H new ATOM 2080 N ASN A 127 4.101 10.489 -9.652 1.00 1.30 N ATOM 2081 CA ASN A 127 3.875 11.693 -10.499 1.00 1.33 C ATOM 2082 C ASN A 127 2.409 12.089 -10.391 1.00 1.29 C ATOM 2083 O ASN A 127 2.023 13.216 -10.628 1.00 1.31 O ATOM 2084 CB ASN A 127 4.223 11.321 -11.953 1.00 1.35 C ATOM 2085 CG ASN A 127 5.617 11.843 -12.327 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.651 11.470 -11.625 1.00 1.46 O flip ATOM 2087 ND2 ASN A 127 5.762 12.599 -13.267 1.00 1.46 N flip ATOM 0 H ASN A 127 3.988 9.598 -10.136 1.00 1.30 H new ATOM 0 HA ASN A 127 4.495 12.530 -10.177 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.190 10.238 -12.075 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.478 11.741 -12.629 1.00 1.35 H new ATOM 0 HD21 ASN A 127 4.954 12.891 -13.816 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.692 12.942 -13.507 1.00 1.46 H new ATOM 2094 N VAL A 128 1.607 11.149 -10.033 1.00 1.23 N ATOM 2095 CA VAL A 128 0.154 11.389 -9.888 1.00 1.18 C ATOM 2096 C VAL A 128 -0.131 11.829 -8.459 1.00 1.15 C ATOM 2097 O VAL A 128 0.369 11.276 -7.500 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.581 10.086 -10.210 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.023 10.138 -9.688 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.601 9.878 -11.726 1.00 1.17 C ATOM 0 H VAL A 128 1.901 10.194 -9.827 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.185 12.171 -10.568 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.060 9.260 -9.725 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.530 9.203 -9.926 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.014 10.281 -8.607 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.551 10.967 -10.159 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.124 8.950 -11.959 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.115 10.714 -12.201 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.422 9.822 -12.099 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.921 12.840 -8.332 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.263 13.384 -7.008 1.00 1.17 C ATOM 2112 C GLU A 129 -2.200 12.430 -6.265 1.00 1.11 C ATOM 2113 O GLU A 129 -3.358 12.356 -6.642 1.00 1.08 O ATOM 2114 CB GLU A 129 -1.939 14.720 -7.236 1.00 1.21 C ATOM 2115 CG GLU A 129 -0.940 15.652 -7.921 1.00 1.28 C ATOM 2116 CD GLU A 129 0.092 16.140 -6.900 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -0.021 15.762 -5.746 1.00 1.32 O ATOM 2118 OE2 GLU A 129 0.977 16.883 -7.291 1.00 1.30 O ATOM 2119 OXT GLU A 129 -1.743 11.789 -5.333 1.00 1.08 O ATOM 0 H GLU A 129 -1.357 13.327 -9.115 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.368 13.504 -6.397 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -2.828 14.595 -7.855 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.268 15.146 -6.288 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.440 15.129 -8.737 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -1.462 16.502 -8.360 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 18.698 -0.970 -4.175 1.00 8.77 N ATOM 2128 CA ASP B 1 19.797 -0.987 -3.168 1.00 7.64 C ATOM 2129 C ASP B 1 19.511 0.052 -2.081 1.00 6.39 C ATOM 2130 O ASP B 1 18.488 0.703 -2.084 1.00 5.37 O ATOM 2131 CB ASP B 1 21.123 -0.654 -3.854 1.00 8.05 C ATOM 2132 CG ASP B 1 21.540 -1.819 -4.754 1.00 9.22 C ATOM 2133 OD1 ASP B 1 22.013 -2.811 -4.225 1.00 10.03 O ATOM 2134 OD2 ASP B 1 21.380 -1.698 -5.958 1.00 9.45 O ATOM 0 H1 ASP B 1 18.429 -1.946 -4.412 1.00 8.77 H new ATOM 0 H2 ASP B 1 17.875 -0.470 -3.782 1.00 8.77 H new ATOM 0 H3 ASP B 1 19.022 -0.482 -5.034 1.00 8.77 H new ATOM 0 HA ASP B 1 19.859 -1.977 -2.717 1.00 7.64 H new ATOM 0 HB2 ASP B 1 21.020 0.257 -4.444 1.00 8.05 H new ATOM 0 HB3 ASP B 1 21.893 -0.464 -3.107 1.00 8.05 H new ATOM 2141 N LEU B 2 20.408 0.213 -1.151 1.00 6.54 N ATOM 2142 CA LEU B 2 20.185 1.209 -0.066 1.00 5.60 C ATOM 2143 C LEU B 2 20.161 2.618 -0.661 1.00 4.68 C ATOM 2144 O LEU B 2 19.115 3.207 -0.867 1.00 3.60 O ATOM 2145 CB LEU B 2 21.325 1.107 0.954 1.00 6.47 C ATOM 2146 CG LEU B 2 21.355 -0.304 1.574 1.00 7.32 C ATOM 2147 CD1 LEU B 2 22.754 -0.600 2.123 1.00 8.33 C ATOM 2148 CD2 LEU B 2 20.341 -0.397 2.722 1.00 6.54 C ATOM 0 H LEU B 2 21.287 -0.302 -1.094 1.00 6.54 H new ATOM 0 HA LEU B 2 19.233 1.007 0.424 1.00 5.60 H new ATOM 0 HB2 LEU B 2 22.278 1.320 0.469 1.00 6.47 H new ATOM 0 HB3 LEU B 2 21.191 1.854 1.736 1.00 6.47 H new ATOM 0 HG LEU B 2 21.099 -1.029 0.802 1.00 7.32 H new ATOM 0 HD11 LEU B 2 22.770 -1.598 2.560 1.00 8.33 H new ATOM 0 HD12 LEU B 2 23.481 -0.547 1.313 1.00 8.33 H new ATOM 0 HD13 LEU B 2 23.008 0.135 2.887 1.00 8.33 H new ATOM 0 HD21 LEU B 2 20.370 -1.398 3.153 1.00 6.54 H new ATOM 0 HD22 LEU B 2 20.591 0.336 3.489 1.00 6.54 H new ATOM 0 HD23 LEU B 2 19.340 -0.195 2.341 1.00 6.54 H new ATOM 2160 N ASP B 3 21.310 3.163 -0.930 1.00 5.20 N ATOM 2161 CA ASP B 3 21.373 4.535 -1.504 1.00 4.64 C ATOM 2162 C ASP B 3 20.400 4.657 -2.679 1.00 3.51 C ATOM 2163 O ASP B 3 20.106 5.738 -3.133 1.00 2.74 O ATOM 2164 CB ASP B 3 22.796 4.815 -1.993 1.00 5.61 C ATOM 2165 CG ASP B 3 22.915 6.283 -2.404 1.00 6.82 C ATOM 2166 OD1 ASP B 3 23.108 7.110 -1.528 1.00 6.92 O ATOM 2167 OD2 ASP B 3 22.812 6.556 -3.589 1.00 7.61 O ATOM 0 H ASP B 3 22.214 2.716 -0.777 1.00 5.20 H new ATOM 0 HA ASP B 3 21.097 5.257 -0.735 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.514 4.588 -1.205 1.00 5.61 H new ATOM 0 HB3 ASP B 3 23.035 4.169 -2.838 1.00 5.61 H new ATOM 2172 N ALA B 4 19.900 3.564 -3.183 1.00 3.85 N ATOM 2173 CA ALA B 4 18.956 3.655 -4.334 1.00 3.42 C ATOM 2174 C ALA B 4 17.586 4.142 -3.850 1.00 2.89 C ATOM 2175 O ALA B 4 17.114 5.189 -4.252 1.00 2.66 O ATOM 2176 CB ALA B 4 18.808 2.282 -4.992 1.00 4.60 C ATOM 0 H ALA B 4 20.101 2.620 -2.853 1.00 3.85 H new ATOM 0 HA ALA B 4 19.352 4.364 -5.061 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.117 2.354 -5.832 1.00 4.60 H new ATOM 0 HB2 ALA B 4 19.780 1.943 -5.349 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.421 1.569 -4.264 1.00 4.60 H new ATOM 2182 N LEU B 5 16.940 3.395 -2.996 1.00 3.21 N ATOM 2183 CA LEU B 5 15.606 3.816 -2.501 1.00 2.91 C ATOM 2184 C LEU B 5 15.720 5.160 -1.777 1.00 1.92 C ATOM 2185 O LEU B 5 14.745 5.868 -1.615 1.00 2.42 O ATOM 2186 CB LEU B 5 15.070 2.760 -1.524 1.00 3.33 C ATOM 2187 CG LEU B 5 14.573 1.508 -2.281 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.746 0.565 -2.565 1.00 5.26 C ATOM 2189 CD2 LEU B 5 13.538 0.768 -1.424 1.00 5.44 C ATOM 0 H LEU B 5 17.282 2.510 -2.621 1.00 3.21 H new ATOM 0 HA LEU B 5 14.926 3.918 -3.346 1.00 2.91 H new ATOM 0 HB2 LEU B 5 15.854 2.477 -0.822 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.254 3.183 -0.937 1.00 3.33 H new ATOM 0 HG LEU B 5 14.123 1.822 -3.223 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.385 -0.314 -3.099 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.488 1.081 -3.175 1.00 5.26 H new ATOM 0 HD13 LEU B 5 16.201 0.257 -1.624 1.00 5.26 H new ATOM 0 HD21 LEU B 5 13.188 -0.115 -1.958 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.995 0.465 -0.482 1.00 5.44 H new ATOM 0 HD23 LEU B 5 12.694 1.428 -1.222 1.00 5.44 H new ATOM 2201 N LEU B 6 16.894 5.524 -1.333 1.00 1.59 N ATOM 2202 CA LEU B 6 17.037 6.826 -0.616 1.00 2.01 C ATOM 2203 C LEU B 6 17.184 7.948 -1.647 1.00 2.52 C ATOM 2204 O LEU B 6 16.436 8.907 -1.644 1.00 3.51 O ATOM 2205 CB LEU B 6 18.273 6.753 0.298 1.00 2.97 C ATOM 2206 CG LEU B 6 18.435 8.026 1.165 1.00 3.38 C ATOM 2207 CD1 LEU B 6 18.816 9.247 0.300 1.00 4.76 C ATOM 2208 CD2 LEU B 6 17.138 8.315 1.942 1.00 3.25 C ATOM 0 H LEU B 6 17.753 4.983 -1.434 1.00 1.59 H new ATOM 0 HA LEU B 6 16.158 7.030 -0.004 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.192 5.881 0.947 1.00 2.97 H new ATOM 0 HB3 LEU B 6 19.166 6.614 -0.312 1.00 2.97 H new ATOM 0 HG LEU B 6 19.243 7.846 1.874 1.00 3.38 H new ATOM 0 HD11 LEU B 6 18.923 10.125 0.937 1.00 4.76 H new ATOM 0 HD12 LEU B 6 19.760 9.052 -0.210 1.00 4.76 H new ATOM 0 HD13 LEU B 6 18.035 9.427 -0.439 1.00 4.76 H new ATOM 0 HD21 LEU B 6 17.268 9.213 2.546 1.00 3.25 H new ATOM 0 HD22 LEU B 6 16.319 8.467 1.239 1.00 3.25 H new ATOM 0 HD23 LEU B 6 16.907 7.471 2.592 1.00 3.25 H new ATOM 2220 N ALA B 7 18.133 7.834 -2.533 1.00 2.20 N ATOM 2221 CA ALA B 7 18.320 8.889 -3.566 1.00 2.86 C ATOM 2222 C ALA B 7 17.021 9.055 -4.354 1.00 3.63 C ATOM 2223 O ALA B 7 16.811 10.045 -5.025 1.00 4.63 O ATOM 2224 CB ALA B 7 19.447 8.480 -4.518 1.00 2.54 C ATOM 0 H ALA B 7 18.788 7.054 -2.586 1.00 2.20 H new ATOM 0 HA ALA B 7 18.580 9.832 -3.084 1.00 2.86 H new ATOM 0 HB1 ALA B 7 19.583 9.253 -5.274 1.00 2.54 H new ATOM 0 HB2 ALA B 7 20.372 8.356 -3.955 1.00 2.54 H new ATOM 0 HB3 ALA B 7 19.189 7.539 -5.004 1.00 2.54 H new ATOM 2230 N ASP B 8 16.143 8.089 -4.274 1.00 3.56 N ATOM 2231 CA ASP B 8 14.848 8.185 -5.010 1.00 4.78 C ATOM 2232 C ASP B 8 13.787 8.783 -4.083 1.00 5.44 C ATOM 2233 O ASP B 8 12.869 9.448 -4.519 1.00 6.57 O ATOM 2234 CB ASP B 8 14.409 6.786 -5.449 1.00 5.06 C ATOM 2235 CG ASP B 8 13.141 6.891 -6.297 1.00 5.28 C ATOM 2236 OD1 ASP B 8 12.085 7.108 -5.725 1.00 5.79 O ATOM 2237 OD2 ASP B 8 13.246 6.754 -7.505 1.00 5.19 O ATOM 0 H ASP B 8 16.268 7.236 -3.729 1.00 3.56 H new ATOM 0 HA ASP B 8 14.970 8.820 -5.887 1.00 4.78 H new ATOM 0 HB2 ASP B 8 15.203 6.307 -6.022 1.00 5.06 H new ATOM 0 HB3 ASP B 8 14.224 6.161 -4.576 1.00 5.06 H new ATOM 2242 N LEU B 9 13.910 8.551 -2.804 1.00 4.79 N ATOM 2243 CA LEU B 9 12.912 9.102 -1.842 1.00 5.50 C ATOM 2244 C LEU B 9 12.956 10.633 -1.880 1.00 6.37 C ATOM 2245 O LEU B 9 11.934 11.289 -1.926 1.00 7.54 O ATOM 2246 CB LEU B 9 13.252 8.607 -0.430 1.00 4.72 C ATOM 2247 CG LEU B 9 12.374 9.309 0.616 1.00 3.99 C ATOM 2248 CD1 LEU B 9 10.894 9.184 0.234 1.00 3.18 C ATOM 2249 CD2 LEU B 9 12.605 8.651 1.979 1.00 4.98 C ATOM 0 H LEU B 9 14.660 8.003 -2.383 1.00 4.79 H new ATOM 0 HA LEU B 9 11.911 8.767 -2.115 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.104 7.529 -0.372 1.00 4.72 H new ATOM 0 HB3 LEU B 9 14.304 8.797 -0.216 1.00 4.72 H new ATOM 0 HG LEU B 9 12.638 10.366 0.660 1.00 3.99 H new ATOM 0 HD11 LEU B 9 10.281 9.686 0.983 1.00 3.18 H new ATOM 0 HD12 LEU B 9 10.729 9.647 -0.739 1.00 3.18 H new ATOM 0 HD13 LEU B 9 10.618 8.131 0.186 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.986 9.142 2.730 1.00 4.98 H new ATOM 0 HD22 LEU B 9 12.339 7.595 1.923 1.00 4.98 H new ATOM 0 HD23 LEU B 9 13.655 8.746 2.256 1.00 4.98 H new ATOM 2261 N GLU B 10 14.130 11.208 -1.854 1.00 5.97 N ATOM 2262 CA GLU B 10 14.246 12.692 -1.881 1.00 6.96 C ATOM 2263 C GLU B 10 13.291 13.277 -2.930 1.00 7.65 C ATOM 2264 O GLU B 10 12.852 14.400 -2.742 1.00 8.69 O ATOM 2265 CB GLU B 10 15.697 13.094 -2.192 1.00 6.57 C ATOM 2266 CG GLU B 10 16.365 11.951 -2.919 1.00 6.56 C ATOM 2267 CD GLU B 10 17.638 12.435 -3.619 1.00 6.60 C ATOM 2268 OE1 GLU B 10 18.597 12.730 -2.925 1.00 6.36 O ATOM 2269 OE2 GLU B 10 17.631 12.502 -4.838 1.00 7.16 O ATOM 2270 OXT GLU B 10 13.017 12.591 -3.902 1.00 7.20 O ATOM 0 H GLU B 10 15.018 10.708 -1.815 1.00 5.97 H new ATOM 0 HA GLU B 10 13.972 13.091 -0.904 1.00 6.96 H new ATOM 0 HB2 GLU B 10 15.717 13.996 -2.804 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.233 13.322 -1.271 1.00 6.57 H new ATOM 0 HG2 GLU B 10 16.610 11.157 -2.214 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.678 11.527 -3.652 1.00 6.56 H new TER 2277 GLU B 10