USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1271 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 100 LYS NZ :NH3+ 169:sc= 0.507 (180deg=-0.152) USER MOD Set 1.2: A 101 THR OG1 : rot 168:sc= 1.72 USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 103 GLN : amide:sc= -0.0347 K(o=-0.035,f=-0.78) USER MOD Set 3.1: A 91 SER OG : rot -145:sc= 0.196 USER MOD Set 3.2: A 94 ASN : amide:sc= -0.235 K(o=-0.039,f=-4.7!) USER MOD Set 4.1: A 75 TYR OH : rot -60:sc= 0.879 USER MOD Set 4.2: A 139 ASN : amide:sc= 0.964 K(o=1.8,f=-0.32) USER MOD Set 5.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 56 ASN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Set 6.1: A 24 ASN : amide:sc= 0.54 K(o=1.1,f=-1.1) USER MOD Set 6.2: A 26 GLN : amide:sc= 0.538 K(o=1.1,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -67:sc= 1.07 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0392) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 0.714 (180deg=0.00284) USER MOD Single : A 17 CYS SG : rot -30:sc= 0.00476 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.1!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 36 GLN : amide:sc= -0.0215 K(o=-0.021,f=-5.3!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 1.11 (180deg=1.02) USER MOD Single : A 61 TYR OH : rot 144:sc= 0.743 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0.895) USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= 0.372 (180deg=-0.164) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.076 USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 1.12 (180deg=0.594) USER MOD Single : A 72 THR OG1 : rot 130:sc= 0.00615 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.3) USER MOD Single : A 78 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.4 K(o=1.4,f=-8.4!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 119 HIS : no HE2:sc= 0.273 K(o=0.27,f=-1.5) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -130:sc= 1.07 (180deg=0.278) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot -57:sc= 0.153 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 168:sc= 0.464 (180deg=0.266) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.991 -4.395 11.243 1.00 1.58 N ATOM 2 CA MET A 1 -20.367 -4.421 9.904 1.00 0.72 C ATOM 3 C MET A 1 -20.836 -3.282 8.988 1.00 0.68 C ATOM 4 O MET A 1 -20.844 -3.471 7.778 1.00 0.97 O ATOM 5 CB MET A 1 -20.619 -5.789 9.245 1.00 0.81 C ATOM 6 CG MET A 1 -22.051 -5.934 8.704 1.00 2.68 C ATOM 7 SD MET A 1 -22.924 -7.428 9.225 1.00 3.07 S ATOM 8 CE MET A 1 -23.410 -8.079 7.603 1.00 4.93 C ATOM 0 H1 MET A 1 -20.631 -5.190 11.809 1.00 1.58 H new ATOM 0 H2 MET A 1 -20.759 -3.499 11.717 1.00 1.58 H new ATOM 0 H3 MET A 1 -22.023 -4.478 11.147 1.00 1.58 H new ATOM 0 HA MET A 1 -19.297 -4.266 10.046 1.00 0.72 H new ATOM 0 HB2 MET A 1 -19.911 -5.930 8.428 1.00 0.81 H new ATOM 0 HB3 MET A 1 -20.428 -6.578 9.972 1.00 0.81 H new ATOM 0 HG2 MET A 1 -22.630 -5.066 9.018 1.00 2.68 H new ATOM 0 HG3 MET A 1 -22.014 -5.915 7.615 1.00 2.68 H new ATOM 0 HE1 MET A 1 -23.964 -9.008 7.735 1.00 4.93 H new ATOM 0 HE2 MET A 1 -24.040 -7.351 7.092 1.00 4.93 H new ATOM 0 HE3 MET A 1 -22.519 -8.270 7.006 1.00 4.93 H new ATOM 20 N ALA A 2 -21.232 -2.101 9.481 1.00 0.59 N ATOM 21 CA ALA A 2 -21.754 -1.066 8.585 1.00 0.54 C ATOM 22 C ALA A 2 -20.745 -0.725 7.486 1.00 0.46 C ATOM 23 O ALA A 2 -21.085 -0.700 6.303 1.00 0.58 O ATOM 24 CB ALA A 2 -22.132 0.180 9.384 1.00 0.67 C ATOM 0 H ALA A 2 -21.202 -1.844 10.468 1.00 0.59 H new ATOM 0 HA ALA A 2 -22.650 -1.453 8.099 1.00 0.54 H new ATOM 0 HB1 ALA A 2 -22.519 0.942 8.708 1.00 0.67 H new ATOM 0 HB2 ALA A 2 -22.897 -0.076 10.117 1.00 0.67 H new ATOM 0 HB3 ALA A 2 -21.251 0.564 9.898 1.00 0.67 H new ATOM 30 N ALA A 3 -19.486 -0.535 7.882 1.00 0.39 N ATOM 31 CA ALA A 3 -18.389 -0.291 6.962 1.00 0.33 C ATOM 32 C ALA A 3 -18.348 -1.337 5.855 1.00 0.28 C ATOM 33 O ALA A 3 -18.128 -0.987 4.703 1.00 0.28 O ATOM 34 CB ALA A 3 -17.071 -0.274 7.734 1.00 0.39 C ATOM 0 H ALA A 3 -19.203 -0.547 8.862 1.00 0.39 H new ATOM 0 HA ALA A 3 -18.543 0.678 6.488 1.00 0.33 H new ATOM 0 HB1 ALA A 3 -16.247 -0.091 7.044 1.00 0.39 H new ATOM 0 HB2 ALA A 3 -17.099 0.517 8.484 1.00 0.39 H new ATOM 0 HB3 ALA A 3 -16.925 -1.236 8.226 1.00 0.39 H new ATOM 40 N SER A 4 -18.577 -2.614 6.176 1.00 0.33 N ATOM 41 CA SER A 4 -18.469 -3.692 5.202 1.00 0.38 C ATOM 42 C SER A 4 -19.369 -3.456 4.001 1.00 0.41 C ATOM 43 O SER A 4 -19.025 -3.828 2.889 1.00 0.44 O ATOM 44 CB SER A 4 -18.758 -5.056 5.827 1.00 0.41 C ATOM 45 OG SER A 4 -20.134 -5.363 5.884 1.00 1.29 O ATOM 0 H SER A 4 -18.840 -2.923 7.112 1.00 0.33 H new ATOM 0 HA SER A 4 -17.436 -3.695 4.855 1.00 0.38 H new ATOM 0 HB2 SER A 4 -18.244 -5.827 5.253 1.00 0.41 H new ATOM 0 HB3 SER A 4 -18.345 -5.081 6.835 1.00 0.41 H new ATOM 0 HG SER A 4 -20.580 -4.752 6.507 1.00 1.29 H new ATOM 51 N ARG A 5 -20.519 -2.817 4.208 1.00 0.49 N ATOM 52 CA ARG A 5 -21.436 -2.554 3.107 1.00 0.56 C ATOM 53 C ARG A 5 -20.770 -1.612 2.102 1.00 0.52 C ATOM 54 O ARG A 5 -20.874 -1.794 0.890 1.00 0.63 O ATOM 55 CB ARG A 5 -22.759 -2.010 3.663 1.00 0.62 C ATOM 56 CG ARG A 5 -23.275 -2.924 4.787 1.00 0.82 C ATOM 57 CD ARG A 5 -24.774 -2.757 5.037 1.00 1.24 C ATOM 58 NE ARG A 5 -25.212 -3.651 6.124 1.00 1.90 N ATOM 59 CZ ARG A 5 -26.463 -4.076 6.349 1.00 2.51 C ATOM 60 NH1 ARG A 5 -26.710 -4.920 7.354 1.00 3.22 N ATOM 61 NH2 ARG A 5 -27.465 -3.661 5.574 1.00 2.94 N ATOM 0 H ARG A 5 -20.833 -2.477 5.117 1.00 0.49 H new ATOM 0 HA ARG A 5 -21.672 -3.473 2.570 1.00 0.56 H new ATOM 0 HB2 ARG A 5 -22.614 -0.999 4.043 1.00 0.62 H new ATOM 0 HB3 ARG A 5 -23.499 -1.948 2.866 1.00 0.62 H new ATOM 0 HG2 ARG A 5 -23.066 -3.963 4.531 1.00 0.82 H new ATOM 0 HG3 ARG A 5 -22.730 -2.707 5.706 1.00 0.82 H new ATOM 0 HD2 ARG A 5 -24.993 -1.722 5.297 1.00 1.24 H new ATOM 0 HD3 ARG A 5 -25.329 -2.981 4.126 1.00 1.24 H new ATOM 0 HE ARG A 5 -24.492 -3.978 6.768 1.00 1.90 H new ATOM 0 HH11 ARG A 5 -25.947 -5.241 7.950 1.00 3.22 H new ATOM 0 HH12 ARG A 5 -27.662 -5.244 7.526 1.00 3.22 H new ATOM 0 HH21 ARG A 5 -27.282 -3.017 4.805 1.00 2.94 H new ATOM 0 HH22 ARG A 5 -28.415 -3.988 5.750 1.00 2.94 H new ATOM 75 N ARG A 6 -20.063 -0.605 2.614 1.00 0.42 N ATOM 76 CA ARG A 6 -19.329 0.370 1.813 1.00 0.44 C ATOM 77 C ARG A 6 -18.042 -0.237 1.254 1.00 0.46 C ATOM 78 O ARG A 6 -17.541 0.208 0.225 1.00 0.89 O ATOM 79 CB ARG A 6 -19.000 1.590 2.685 1.00 0.43 C ATOM 80 CG ARG A 6 -20.260 2.283 3.225 1.00 0.53 C ATOM 81 CD ARG A 6 -20.805 3.311 2.231 1.00 1.89 C ATOM 82 NE ARG A 6 -19.945 4.507 2.193 1.00 1.90 N ATOM 83 CZ ARG A 6 -19.825 5.372 1.178 1.00 2.58 C ATOM 84 NH1 ARG A 6 -18.975 6.395 1.286 1.00 3.03 N ATOM 85 NH2 ARG A 6 -20.549 5.219 0.068 1.00 3.41 N ATOM 0 H ARG A 6 -19.984 -0.442 3.618 1.00 0.42 H new ATOM 0 HA ARG A 6 -19.950 0.673 0.970 1.00 0.44 H new ATOM 0 HB2 ARG A 6 -18.375 1.277 3.521 1.00 0.43 H new ATOM 0 HB3 ARG A 6 -18.418 2.304 2.101 1.00 0.43 H new ATOM 0 HG2 ARG A 6 -21.026 1.536 3.434 1.00 0.53 H new ATOM 0 HG3 ARG A 6 -20.029 2.776 4.169 1.00 0.53 H new ATOM 0 HD2 ARG A 6 -20.863 2.867 1.237 1.00 1.89 H new ATOM 0 HD3 ARG A 6 -21.819 3.595 2.513 1.00 1.89 H new ATOM 0 HE ARG A 6 -19.384 4.695 3.024 1.00 1.90 H new ATOM 0 HH11 ARG A 6 -18.424 6.513 2.136 1.00 3.03 H new ATOM 0 HH12 ARG A 6 -18.876 7.059 0.518 1.00 3.03 H new ATOM 0 HH21 ARG A 6 -21.200 4.438 -0.012 1.00 3.41 H new ATOM 0 HH22 ARG A 6 -20.451 5.883 -0.700 1.00 3.41 H new ATOM 99 N LEU A 7 -17.446 -1.202 1.951 1.00 0.24 N ATOM 100 CA LEU A 7 -16.181 -1.795 1.552 1.00 0.22 C ATOM 101 C LEU A 7 -16.411 -2.791 0.425 1.00 0.23 C ATOM 102 O LEU A 7 -15.621 -2.820 -0.503 1.00 0.32 O ATOM 103 CB LEU A 7 -15.482 -2.451 2.749 1.00 0.21 C ATOM 104 CG LEU A 7 -15.014 -1.410 3.782 1.00 0.25 C ATOM 105 CD1 LEU A 7 -14.750 -2.078 5.130 1.00 0.30 C ATOM 106 CD2 LEU A 7 -13.735 -0.688 3.358 1.00 0.36 C ATOM 0 H LEU A 7 -17.832 -1.593 2.811 1.00 0.24 H new ATOM 0 HA LEU A 7 -15.521 -1.009 1.185 1.00 0.22 H new ATOM 0 HB2 LEU A 7 -16.164 -3.155 3.226 1.00 0.21 H new ATOM 0 HB3 LEU A 7 -14.625 -3.025 2.399 1.00 0.21 H new ATOM 0 HG LEU A 7 -15.819 -0.679 3.857 1.00 0.25 H new ATOM 0 HD11 LEU A 7 -14.420 -1.328 5.849 1.00 0.30 H new ATOM 0 HD12 LEU A 7 -15.666 -2.547 5.489 1.00 0.30 H new ATOM 0 HD13 LEU A 7 -13.975 -2.836 5.015 1.00 0.30 H new ATOM 0 HD21 LEU A 7 -13.453 0.034 4.125 1.00 0.36 H new ATOM 0 HD22 LEU A 7 -12.932 -1.414 3.231 1.00 0.36 H new ATOM 0 HD23 LEU A 7 -13.906 -0.168 2.416 1.00 0.36 H new ATOM 118 N MET A 8 -17.483 -3.581 0.475 1.00 0.24 N ATOM 119 CA MET A 8 -17.831 -4.545 -0.559 1.00 0.28 C ATOM 120 C MET A 8 -18.095 -3.809 -1.861 1.00 0.27 C ATOM 121 O MET A 8 -17.477 -4.126 -2.872 1.00 0.29 O ATOM 122 CB MET A 8 -19.071 -5.350 -0.139 1.00 0.34 C ATOM 123 CG MET A 8 -19.449 -6.390 -1.202 1.00 0.53 C ATOM 124 SD MET A 8 -21.134 -7.031 -1.043 1.00 1.62 S ATOM 125 CE MET A 8 -21.216 -7.979 -2.586 1.00 2.13 C ATOM 0 H MET A 8 -18.144 -3.566 1.252 1.00 0.24 H new ATOM 0 HA MET A 8 -17.003 -5.240 -0.700 1.00 0.28 H new ATOM 0 HB2 MET A 8 -18.878 -5.851 0.810 1.00 0.34 H new ATOM 0 HB3 MET A 8 -19.909 -4.672 0.023 1.00 0.34 H new ATOM 0 HG2 MET A 8 -19.334 -5.943 -2.189 1.00 0.53 H new ATOM 0 HG3 MET A 8 -18.748 -7.223 -1.145 1.00 0.53 H new ATOM 0 HE1 MET A 8 -22.193 -8.455 -2.669 1.00 2.13 H new ATOM 0 HE2 MET A 8 -21.065 -7.310 -3.433 1.00 2.13 H new ATOM 0 HE3 MET A 8 -20.439 -8.744 -2.585 1.00 2.13 H new ATOM 135 N LYS A 9 -19.017 -2.837 -1.844 1.00 0.26 N ATOM 136 CA LYS A 9 -19.362 -2.096 -3.051 1.00 0.29 C ATOM 137 C LYS A 9 -18.093 -1.505 -3.639 1.00 0.28 C ATOM 138 O LYS A 9 -17.793 -1.707 -4.808 1.00 0.34 O ATOM 139 CB LYS A 9 -20.386 -0.986 -2.765 1.00 0.46 C ATOM 140 CG LYS A 9 -21.817 -1.378 -3.144 1.00 1.61 C ATOM 141 CD LYS A 9 -22.418 -2.470 -2.250 1.00 2.17 C ATOM 142 CE LYS A 9 -23.822 -2.065 -1.784 1.00 2.68 C ATOM 143 NZ LYS A 9 -24.767 -1.911 -2.913 1.00 3.59 N ATOM 0 H LYS A 9 -19.531 -2.551 -1.010 1.00 0.26 H new ATOM 0 HA LYS A 9 -19.823 -2.781 -3.763 1.00 0.29 H new ATOM 0 HB2 LYS A 9 -20.353 -0.734 -1.705 1.00 0.46 H new ATOM 0 HB3 LYS A 9 -20.103 -0.088 -3.315 1.00 0.46 H new ATOM 0 HG2 LYS A 9 -22.451 -0.493 -3.096 1.00 1.61 H new ATOM 0 HG3 LYS A 9 -21.828 -1.722 -4.178 1.00 1.61 H new ATOM 0 HD2 LYS A 9 -22.467 -3.411 -2.797 1.00 2.17 H new ATOM 0 HD3 LYS A 9 -21.775 -2.637 -1.386 1.00 2.17 H new ATOM 0 HE2 LYS A 9 -24.204 -2.817 -1.094 1.00 2.68 H new ATOM 0 HE3 LYS A 9 -23.763 -1.127 -1.232 1.00 2.68 H new ATOM 0 HZ1 LYS A 9 -25.729 -1.771 -2.544 1.00 3.59 H new ATOM 0 HZ2 LYS A 9 -24.492 -1.087 -3.486 1.00 3.59 H new ATOM 0 HZ3 LYS A 9 -24.744 -2.767 -3.504 1.00 3.59 H new ATOM 157 N GLU A 10 -17.328 -0.788 -2.820 1.00 0.27 N ATOM 158 CA GLU A 10 -16.150 -0.135 -3.351 1.00 0.40 C ATOM 159 C GLU A 10 -15.105 -1.127 -3.823 1.00 0.30 C ATOM 160 O GLU A 10 -14.397 -0.829 -4.769 1.00 0.32 O ATOM 161 CB GLU A 10 -15.528 0.801 -2.332 1.00 0.64 C ATOM 162 CG GLU A 10 -16.329 2.110 -2.283 1.00 1.09 C ATOM 163 CD GLU A 10 -15.473 3.297 -1.866 1.00 1.20 C ATOM 164 OE1 GLU A 10 -14.299 3.054 -1.507 1.00 1.94 O ATOM 165 OE2 GLU A 10 -16.039 4.405 -1.789 1.00 1.82 O ATOM 0 H GLU A 10 -17.498 -0.651 -1.824 1.00 0.27 H new ATOM 0 HA GLU A 10 -16.488 0.443 -4.211 1.00 0.40 H new ATOM 0 HB2 GLU A 10 -15.519 0.331 -1.349 1.00 0.64 H new ATOM 0 HB3 GLU A 10 -14.491 1.007 -2.597 1.00 0.64 H new ATOM 0 HG2 GLU A 10 -16.763 2.305 -3.264 1.00 1.09 H new ATOM 0 HG3 GLU A 10 -17.158 2.000 -1.584 1.00 1.09 H new ATOM 172 N LEU A 11 -14.951 -2.280 -3.182 1.00 0.24 N ATOM 173 CA LEU A 11 -13.957 -3.255 -3.595 1.00 0.21 C ATOM 174 C LEU A 11 -14.294 -3.761 -4.979 1.00 0.22 C ATOM 175 O LEU A 11 -13.415 -3.903 -5.828 1.00 0.23 O ATOM 176 CB LEU A 11 -13.917 -4.413 -2.602 1.00 0.22 C ATOM 177 CG LEU A 11 -12.754 -5.361 -2.923 1.00 0.20 C ATOM 178 CD1 LEU A 11 -12.234 -5.906 -1.603 1.00 0.30 C ATOM 179 CD2 LEU A 11 -13.172 -6.531 -3.820 1.00 0.23 C ATOM 0 H LEU A 11 -15.505 -2.560 -2.373 1.00 0.24 H new ATOM 0 HA LEU A 11 -12.974 -2.784 -3.617 1.00 0.21 H new ATOM 0 HB2 LEU A 11 -13.809 -4.026 -1.589 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -14.859 -4.960 -2.635 1.00 0.22 H new ATOM 0 HG LEU A 11 -11.992 -4.803 -3.468 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -11.404 -6.586 -1.792 1.00 0.30 H new ATOM 0 HD12 LEU A 11 -11.892 -5.081 -0.978 1.00 0.30 H new ATOM 0 HD13 LEU A 11 -13.033 -6.442 -1.091 1.00 0.30 H new ATOM 0 HD21 LEU A 11 -12.309 -7.168 -4.013 1.00 0.23 H new ATOM 0 HD22 LEU A 11 -13.947 -7.113 -3.322 1.00 0.23 H new ATOM 0 HD23 LEU A 11 -13.558 -6.146 -4.764 1.00 0.23 H new ATOM 191 N GLU A 12 -15.575 -4.040 -5.192 1.00 0.25 N ATOM 192 CA GLU A 12 -16.072 -4.458 -6.483 1.00 0.29 C ATOM 193 C GLU A 12 -15.730 -3.385 -7.518 1.00 0.28 C ATOM 194 O GLU A 12 -15.097 -3.691 -8.529 1.00 0.28 O ATOM 195 CB GLU A 12 -17.569 -4.766 -6.367 1.00 0.37 C ATOM 196 CG GLU A 12 -18.070 -5.447 -7.643 1.00 0.45 C ATOM 197 CD GLU A 12 -18.803 -6.759 -7.361 1.00 1.00 C ATOM 198 OE1 GLU A 12 -19.734 -6.764 -6.530 1.00 1.41 O ATOM 199 OE2 GLU A 12 -18.398 -7.752 -8.015 1.00 1.95 O ATOM 0 H GLU A 12 -16.293 -3.981 -4.470 1.00 0.25 H new ATOM 0 HA GLU A 12 -15.596 -5.377 -6.823 1.00 0.29 H new ATOM 0 HB2 GLU A 12 -17.749 -5.411 -5.507 1.00 0.37 H new ATOM 0 HB3 GLU A 12 -18.125 -3.844 -6.196 1.00 0.37 H new ATOM 0 HG2 GLU A 12 -18.738 -4.769 -8.174 1.00 0.45 H new ATOM 0 HG3 GLU A 12 -17.224 -5.642 -8.302 1.00 0.45 H new ATOM 206 N GLU A 13 -16.068 -2.127 -7.227 1.00 0.28 N ATOM 207 CA GLU A 13 -15.741 -0.980 -8.065 1.00 0.30 C ATOM 208 C GLU A 13 -14.237 -0.885 -8.321 1.00 0.27 C ATOM 209 O GLU A 13 -13.836 -0.552 -9.429 1.00 0.29 O ATOM 210 CB GLU A 13 -16.244 0.329 -7.433 1.00 0.37 C ATOM 211 CG GLU A 13 -17.517 0.860 -8.101 1.00 0.66 C ATOM 212 CD GLU A 13 -18.733 -0.032 -7.844 1.00 2.09 C ATOM 213 OE1 GLU A 13 -18.815 -1.085 -8.515 1.00 3.72 O ATOM 214 OE2 GLU A 13 -19.573 0.365 -7.003 1.00 3.16 O ATOM 0 H GLU A 13 -16.587 -1.876 -6.385 1.00 0.28 H new ATOM 0 HA GLU A 13 -16.246 -1.127 -9.020 1.00 0.30 H new ATOM 0 HB2 GLU A 13 -16.437 0.165 -6.373 1.00 0.37 H new ATOM 0 HB3 GLU A 13 -15.461 1.084 -7.501 1.00 0.37 H new ATOM 0 HG2 GLU A 13 -17.724 1.865 -7.733 1.00 0.66 H new ATOM 0 HG3 GLU A 13 -17.352 0.942 -9.175 1.00 0.66 H new ATOM 221 N ILE A 14 -13.394 -1.145 -7.319 1.00 0.25 N ATOM 222 CA ILE A 14 -11.948 -1.008 -7.418 1.00 0.21 C ATOM 223 C ILE A 14 -11.459 -2.009 -8.454 1.00 0.22 C ATOM 224 O ILE A 14 -10.831 -1.631 -9.443 1.00 0.23 O ATOM 225 CB ILE A 14 -11.268 -1.168 -6.034 1.00 0.18 C ATOM 226 CG1 ILE A 14 -11.395 0.152 -5.253 1.00 0.21 C ATOM 227 CG2 ILE A 14 -9.769 -1.469 -6.179 1.00 0.18 C ATOM 228 CD1 ILE A 14 -10.761 0.045 -3.863 1.00 0.21 C ATOM 0 H ILE A 14 -13.708 -1.462 -6.402 1.00 0.25 H new ATOM 0 HA ILE A 14 -11.675 -0.005 -7.746 1.00 0.21 H new ATOM 0 HB ILE A 14 -11.758 -1.993 -5.517 1.00 0.18 H new ATOM 0 HG12 ILE A 14 -10.914 0.955 -5.812 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -12.447 0.418 -5.155 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -9.322 -1.575 -5.191 1.00 0.18 H new ATOM 0 HG22 ILE A 14 -9.636 -2.395 -6.739 1.00 0.18 H new ATOM 0 HG23 ILE A 14 -9.283 -0.651 -6.711 1.00 0.18 H new ATOM 0 HD11 ILE A 14 -10.869 0.995 -3.340 1.00 0.21 H new ATOM 0 HD12 ILE A 14 -11.259 -0.741 -3.295 1.00 0.21 H new ATOM 0 HD13 ILE A 14 -9.703 -0.196 -3.963 1.00 0.21 H new ATOM 240 N ARG A 15 -11.751 -3.296 -8.250 1.00 0.23 N ATOM 241 CA ARG A 15 -11.326 -4.331 -9.183 1.00 0.27 C ATOM 242 C ARG A 15 -11.793 -3.974 -10.588 1.00 0.28 C ATOM 243 O ARG A 15 -10.995 -4.018 -11.528 1.00 0.32 O ATOM 244 CB ARG A 15 -11.850 -5.711 -8.753 1.00 0.33 C ATOM 245 CG ARG A 15 -10.676 -6.579 -8.296 1.00 0.86 C ATOM 246 CD ARG A 15 -11.148 -7.972 -7.878 1.00 0.79 C ATOM 247 NE ARG A 15 -11.457 -8.830 -9.031 1.00 0.94 N ATOM 248 CZ ARG A 15 -11.898 -10.091 -8.934 1.00 1.10 C ATOM 249 NH1 ARG A 15 -12.159 -10.798 -10.036 1.00 1.73 N ATOM 250 NH2 ARG A 15 -12.079 -10.644 -7.734 1.00 1.54 N ATOM 0 H ARG A 15 -12.279 -3.641 -7.448 1.00 0.23 H new ATOM 0 HA ARG A 15 -10.237 -4.386 -9.180 1.00 0.27 H new ATOM 0 HB2 ARG A 15 -12.573 -5.602 -7.944 1.00 0.33 H new ATOM 0 HB3 ARG A 15 -12.370 -6.190 -9.583 1.00 0.33 H new ATOM 0 HG2 ARG A 15 -9.949 -6.666 -9.103 1.00 0.86 H new ATOM 0 HG3 ARG A 15 -10.169 -6.098 -7.460 1.00 0.86 H new ATOM 0 HD2 ARG A 15 -10.377 -8.447 -7.272 1.00 0.79 H new ATOM 0 HD3 ARG A 15 -12.034 -7.879 -7.250 1.00 0.79 H new ATOM 0 HE ARG A 15 -11.327 -8.440 -9.965 1.00 0.94 H new ATOM 0 HH11 ARG A 15 -12.023 -10.378 -10.956 1.00 1.73 H new ATOM 0 HH12 ARG A 15 -12.495 -11.758 -9.958 1.00 1.73 H new ATOM 0 HH21 ARG A 15 -11.882 -10.107 -6.890 1.00 1.54 H new ATOM 0 HH22 ARG A 15 -12.415 -11.604 -7.660 1.00 1.54 H new ATOM 264 N LYS A 16 -13.076 -3.625 -10.725 1.00 0.28 N ATOM 265 CA LYS A 16 -13.662 -3.295 -12.016 1.00 0.34 C ATOM 266 C LYS A 16 -13.020 -2.042 -12.619 1.00 0.34 C ATOM 267 O LYS A 16 -12.967 -1.926 -13.840 1.00 0.37 O ATOM 268 CB LYS A 16 -15.188 -3.123 -11.929 1.00 0.41 C ATOM 269 CG LYS A 16 -15.934 -4.443 -12.175 1.00 0.64 C ATOM 270 CD LYS A 16 -15.963 -5.354 -10.950 1.00 1.17 C ATOM 271 CE LYS A 16 -16.569 -6.709 -11.332 1.00 1.63 C ATOM 272 NZ LYS A 16 -16.784 -7.572 -10.153 1.00 2.82 N ATOM 0 H LYS A 16 -13.730 -3.565 -9.945 1.00 0.28 H new ATOM 0 HA LYS A 16 -13.458 -4.139 -12.675 1.00 0.34 H new ATOM 0 HB2 LYS A 16 -15.453 -2.735 -10.945 1.00 0.41 H new ATOM 0 HB3 LYS A 16 -15.511 -2.383 -12.661 1.00 0.41 H new ATOM 0 HG2 LYS A 16 -16.957 -4.223 -12.481 1.00 0.64 H new ATOM 0 HG3 LYS A 16 -15.461 -4.972 -13.002 1.00 0.64 H new ATOM 0 HD2 LYS A 16 -14.954 -5.492 -10.563 1.00 1.17 H new ATOM 0 HD3 LYS A 16 -16.549 -4.893 -10.155 1.00 1.17 H new ATOM 0 HE2 LYS A 16 -17.519 -6.550 -11.843 1.00 1.63 H new ATOM 0 HE3 LYS A 16 -15.909 -7.215 -12.036 1.00 1.63 H new ATOM 0 HZ1 LYS A 16 -16.899 -8.559 -10.461 1.00 2.82 H new ATOM 0 HZ2 LYS A 16 -15.964 -7.501 -9.517 1.00 2.82 H new ATOM 0 HZ3 LYS A 16 -17.640 -7.265 -9.649 1.00 2.82 H new ATOM 286 N CYS A 17 -12.531 -1.113 -11.796 1.00 0.33 N ATOM 287 CA CYS A 17 -11.915 0.125 -12.257 1.00 0.36 C ATOM 288 C CYS A 17 -10.662 -0.206 -13.060 1.00 0.35 C ATOM 289 O CYS A 17 -10.293 0.534 -13.968 1.00 0.42 O ATOM 290 CB CYS A 17 -11.563 1.017 -11.057 1.00 0.38 C ATOM 291 SG CYS A 17 -11.056 2.666 -11.623 1.00 0.83 S ATOM 0 H CYS A 17 -12.553 -1.203 -10.780 1.00 0.33 H new ATOM 0 HA CYS A 17 -12.615 0.666 -12.893 1.00 0.36 H new ATOM 0 HB2 CYS A 17 -12.424 1.102 -10.394 1.00 0.38 H new ATOM 0 HB3 CYS A 17 -10.759 0.560 -10.479 1.00 0.38 H new ATOM 0 HG CYS A 17 -10.503 2.571 -12.796 1.00 0.83 H new ATOM 297 N GLY A 18 -9.995 -1.307 -12.712 1.00 0.32 N ATOM 298 CA GLY A 18 -8.888 -1.824 -13.487 1.00 0.31 C ATOM 299 C GLY A 18 -7.772 -2.203 -12.540 1.00 0.27 C ATOM 300 O GLY A 18 -6.858 -1.412 -12.324 1.00 0.29 O ATOM 0 H GLY A 18 -10.214 -1.859 -11.883 1.00 0.32 H new ATOM 0 HA2 GLY A 18 -9.204 -2.692 -14.066 1.00 0.31 H new ATOM 0 HA3 GLY A 18 -8.542 -1.075 -14.199 1.00 0.31 H new ATOM 304 N MET A 19 -7.855 -3.410 -11.978 1.00 0.27 N ATOM 305 CA MET A 19 -6.826 -3.988 -11.121 1.00 0.26 C ATOM 306 C MET A 19 -5.480 -4.114 -11.846 1.00 0.27 C ATOM 307 O MET A 19 -5.132 -5.169 -12.371 1.00 0.33 O ATOM 308 CB MET A 19 -7.318 -5.324 -10.552 1.00 0.32 C ATOM 309 CG MET A 19 -7.879 -6.291 -11.598 1.00 0.69 C ATOM 310 SD MET A 19 -8.168 -7.964 -10.964 1.00 1.27 S ATOM 311 CE MET A 19 -7.698 -8.893 -12.445 1.00 2.08 C ATOM 0 H MET A 19 -8.658 -4.024 -12.111 1.00 0.27 H new ATOM 0 HA MET A 19 -6.645 -3.312 -10.285 1.00 0.26 H new ATOM 0 HB2 MET A 19 -6.492 -5.810 -10.033 1.00 0.32 H new ATOM 0 HB3 MET A 19 -8.090 -5.126 -9.808 1.00 0.32 H new ATOM 0 HG2 MET A 19 -8.817 -5.891 -11.983 1.00 0.69 H new ATOM 0 HG3 MET A 19 -7.187 -6.345 -12.438 1.00 0.69 H new ATOM 0 HE1 MET A 19 -7.809 -9.961 -12.255 1.00 2.08 H new ATOM 0 HE2 MET A 19 -8.342 -8.604 -13.276 1.00 2.08 H new ATOM 0 HE3 MET A 19 -6.660 -8.675 -12.697 1.00 2.08 H new ATOM 321 N LYS A 20 -4.735 -3.009 -11.917 1.00 0.26 N ATOM 322 CA LYS A 20 -3.438 -2.913 -12.573 1.00 0.27 C ATOM 323 C LYS A 20 -2.345 -2.713 -11.537 1.00 0.28 C ATOM 324 O LYS A 20 -1.636 -3.652 -11.180 1.00 0.39 O ATOM 325 CB LYS A 20 -3.513 -1.833 -13.665 1.00 0.29 C ATOM 326 CG LYS A 20 -3.145 -2.404 -15.039 1.00 1.16 C ATOM 327 CD LYS A 20 -3.860 -1.630 -16.154 1.00 1.71 C ATOM 328 CE LYS A 20 -2.867 -1.180 -17.229 1.00 1.66 C ATOM 329 NZ LYS A 20 -3.551 -0.532 -18.369 1.00 2.52 N ATOM 0 H LYS A 20 -5.033 -2.126 -11.502 1.00 0.26 H new ATOM 0 HA LYS A 20 -3.173 -3.840 -13.082 1.00 0.27 H new ATOM 0 HB2 LYS A 20 -4.520 -1.417 -13.699 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -2.838 -1.014 -13.416 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -2.066 -2.349 -15.185 1.00 1.16 H new ATOM 0 HG3 LYS A 20 -3.420 -3.458 -15.086 1.00 1.16 H new ATOM 0 HD2 LYS A 20 -4.629 -2.259 -16.603 1.00 1.71 H new ATOM 0 HD3 LYS A 20 -4.365 -0.761 -15.733 1.00 1.71 H new ATOM 0 HE2 LYS A 20 -2.149 -0.486 -16.793 1.00 1.66 H new ATOM 0 HE3 LYS A 20 -2.302 -2.041 -17.586 1.00 1.66 H new ATOM 0 HZ1 LYS A 20 -2.847 -0.241 -19.077 1.00 2.52 H new ATOM 0 HZ2 LYS A 20 -4.218 -1.203 -18.800 1.00 2.52 H new ATOM 0 HZ3 LYS A 20 -4.070 0.304 -18.033 1.00 2.52 H new ATOM 343 N ASN A 21 -2.249 -1.496 -10.999 1.00 0.28 N ATOM 344 CA ASN A 21 -1.317 -1.206 -9.918 1.00 0.26 C ATOM 345 C ASN A 21 -1.725 -1.921 -8.626 1.00 0.20 C ATOM 346 O ASN A 21 -0.977 -1.900 -7.656 1.00 0.18 O ATOM 347 CB ASN A 21 -1.220 0.299 -9.643 1.00 0.31 C ATOM 348 CG ASN A 21 -0.292 1.053 -10.585 1.00 0.58 C ATOM 349 OD1 ASN A 21 0.917 1.047 -10.401 1.00 2.05 O ATOM 350 ND2 ASN A 21 -0.835 1.775 -11.556 1.00 1.45 N ATOM 0 H ASN A 21 -2.808 -0.697 -11.298 1.00 0.28 H new ATOM 0 HA ASN A 21 -0.343 -1.571 -10.242 1.00 0.26 H new ATOM 0 HB2 ASN A 21 -2.217 0.733 -9.711 1.00 0.31 H new ATOM 0 HB3 ASN A 21 -0.877 0.447 -8.619 1.00 0.31 H new ATOM 0 HD21 ASN A 21 -0.242 2.338 -12.165 1.00 1.45 H new ATOM 0 HD22 ASN A 21 -1.846 1.767 -11.694 1.00 1.45 H new ATOM 357 N PHE A 22 -2.898 -2.546 -8.584 1.00 0.23 N ATOM 358 CA PHE A 22 -3.427 -3.237 -7.427 1.00 0.21 C ATOM 359 C PHE A 22 -4.082 -4.497 -7.964 1.00 0.25 C ATOM 360 O PHE A 22 -4.975 -4.405 -8.799 1.00 0.46 O ATOM 361 CB PHE A 22 -4.425 -2.325 -6.700 1.00 0.18 C ATOM 362 CG PHE A 22 -5.446 -1.653 -7.602 1.00 0.21 C ATOM 363 CD1 PHE A 22 -6.715 -2.228 -7.778 1.00 0.22 C ATOM 364 CD2 PHE A 22 -5.109 -0.482 -8.309 1.00 0.31 C ATOM 365 CE1 PHE A 22 -7.628 -1.656 -8.677 1.00 0.29 C ATOM 366 CE2 PHE A 22 -6.025 0.092 -9.208 1.00 0.38 C ATOM 367 CZ PHE A 22 -7.287 -0.497 -9.393 1.00 0.36 C ATOM 0 H PHE A 22 -3.525 -2.583 -9.388 1.00 0.23 H new ATOM 0 HA PHE A 22 -2.659 -3.496 -6.698 1.00 0.21 H new ATOM 0 HB2 PHE A 22 -4.954 -2.913 -5.951 1.00 0.18 H new ATOM 0 HB3 PHE A 22 -3.869 -1.554 -6.166 1.00 0.18 H new ATOM 0 HD1 PHE A 22 -6.989 -3.112 -7.221 1.00 0.22 H new ATOM 0 HD2 PHE A 22 -4.143 -0.023 -8.160 1.00 0.31 H new ATOM 0 HE1 PHE A 22 -8.598 -2.109 -8.819 1.00 0.29 H new ATOM 0 HE2 PHE A 22 -5.759 0.984 -9.755 1.00 0.38 H new ATOM 0 HZ PHE A 22 -7.993 -0.060 -10.084 1.00 0.36 H new ATOM 377 N ARG A 23 -3.613 -5.670 -7.544 1.00 0.18 N ATOM 378 CA ARG A 23 -4.144 -6.957 -7.974 1.00 0.21 C ATOM 379 C ARG A 23 -4.185 -7.877 -6.764 1.00 0.21 C ATOM 380 O ARG A 23 -3.887 -7.450 -5.654 1.00 0.21 O ATOM 381 CB ARG A 23 -3.286 -7.518 -9.126 1.00 0.31 C ATOM 382 CG ARG A 23 -3.793 -6.945 -10.450 1.00 0.85 C ATOM 383 CD ARG A 23 -2.962 -7.344 -11.669 1.00 1.57 C ATOM 384 NE ARG A 23 -1.882 -6.380 -11.914 1.00 3.36 N ATOM 385 CZ ARG A 23 -1.342 -6.121 -13.111 1.00 4.61 C ATOM 386 NH1 ARG A 23 -0.461 -5.132 -13.247 1.00 6.41 N ATOM 387 NH2 ARG A 23 -1.680 -6.821 -14.182 1.00 4.47 N ATOM 0 H ARG A 23 -2.840 -5.752 -6.884 1.00 0.18 H new ATOM 0 HA ARG A 23 -5.157 -6.860 -8.364 1.00 0.21 H new ATOM 0 HB2 ARG A 23 -2.239 -7.254 -8.978 1.00 0.31 H new ATOM 0 HB3 ARG A 23 -3.342 -8.606 -9.141 1.00 0.31 H new ATOM 0 HG2 ARG A 23 -4.821 -7.272 -10.604 1.00 0.85 H new ATOM 0 HG3 ARG A 23 -3.812 -5.858 -10.378 1.00 0.85 H new ATOM 0 HD2 ARG A 23 -2.539 -8.337 -11.515 1.00 1.57 H new ATOM 0 HD3 ARG A 23 -3.605 -7.404 -12.547 1.00 1.57 H new ATOM 0 HE ARG A 23 -1.515 -5.869 -11.111 1.00 3.36 H new ATOM 0 HH11 ARG A 23 -0.196 -4.570 -12.438 1.00 6.41 H new ATOM 0 HH12 ARG A 23 -0.051 -4.936 -14.160 1.00 6.41 H new ATOM 0 HH21 ARG A 23 -2.364 -7.574 -14.104 1.00 4.47 H new ATOM 0 HH22 ARG A 23 -1.257 -6.608 -15.085 1.00 4.47 H new ATOM 401 N ASN A 24 -4.596 -9.131 -6.954 1.00 0.23 N ATOM 402 CA ASN A 24 -4.781 -10.073 -5.854 1.00 0.21 C ATOM 403 C ASN A 24 -5.706 -9.490 -4.778 1.00 0.22 C ATOM 404 O ASN A 24 -5.576 -9.841 -3.616 1.00 0.30 O ATOM 405 CB ASN A 24 -3.403 -10.467 -5.283 1.00 0.25 C ATOM 406 CG ASN A 24 -3.406 -11.818 -4.580 1.00 0.47 C ATOM 407 OD1 ASN A 24 -3.583 -11.925 -3.370 1.00 2.22 O ATOM 408 ND2 ASN A 24 -3.177 -12.887 -5.331 1.00 1.77 N ATOM 0 H ASN A 24 -4.809 -9.520 -7.873 1.00 0.23 H new ATOM 0 HA ASN A 24 -5.269 -10.974 -6.226 1.00 0.21 H new ATOM 0 HB2 ASN A 24 -2.674 -10.489 -6.093 1.00 0.25 H new ATOM 0 HB3 ASN A 24 -3.076 -9.700 -4.581 1.00 0.25 H new ATOM 0 HD21 ASN A 24 -3.146 -13.813 -4.904 1.00 1.77 H new ATOM 0 HD22 ASN A 24 -3.032 -12.783 -6.335 1.00 1.77 H new ATOM 415 N ILE A 25 -6.636 -8.600 -5.143 1.00 0.20 N ATOM 416 CA ILE A 25 -7.620 -8.074 -4.203 1.00 0.20 C ATOM 417 C ILE A 25 -8.449 -9.264 -3.725 1.00 0.21 C ATOM 418 O ILE A 25 -9.054 -9.957 -4.547 1.00 0.23 O ATOM 419 CB ILE A 25 -8.467 -6.966 -4.884 1.00 0.19 C ATOM 420 CG1 ILE A 25 -7.951 -5.570 -4.475 1.00 0.22 C ATOM 421 CG2 ILE A 25 -9.963 -7.041 -4.554 1.00 0.26 C ATOM 422 CD1 ILE A 25 -8.692 -4.424 -5.155 1.00 0.22 C ATOM 0 H ILE A 25 -6.724 -8.230 -6.089 1.00 0.20 H new ATOM 0 HA ILE A 25 -7.156 -7.597 -3.340 1.00 0.20 H new ATOM 0 HB ILE A 25 -8.356 -7.131 -5.956 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -8.042 -5.460 -3.394 1.00 0.22 H new ATOM 0 HG13 ILE A 25 -6.890 -5.499 -4.715 1.00 0.22 H new ATOM 0 HG21 ILE A 25 -10.489 -6.235 -5.066 1.00 0.26 H new ATOM 0 HG22 ILE A 25 -10.361 -8.001 -4.884 1.00 0.26 H new ATOM 0 HG23 ILE A 25 -10.104 -6.940 -3.478 1.00 0.26 H new ATOM 0 HD11 ILE A 25 -8.277 -3.473 -4.821 1.00 0.22 H new ATOM 0 HD12 ILE A 25 -8.580 -4.509 -6.236 1.00 0.22 H new ATOM 0 HD13 ILE A 25 -9.750 -4.469 -4.895 1.00 0.22 H new ATOM 434 N GLN A 26 -8.483 -9.499 -2.413 1.00 0.23 N ATOM 435 CA GLN A 26 -9.316 -10.510 -1.788 1.00 0.25 C ATOM 436 C GLN A 26 -9.938 -9.894 -0.543 1.00 0.28 C ATOM 437 O GLN A 26 -9.415 -8.923 0.009 1.00 0.32 O ATOM 438 CB GLN A 26 -8.558 -11.785 -1.424 1.00 0.31 C ATOM 439 CG GLN A 26 -7.489 -12.091 -2.463 1.00 0.33 C ATOM 440 CD GLN A 26 -7.062 -13.543 -2.446 1.00 0.44 C ATOM 441 OE1 GLN A 26 -7.838 -14.451 -2.172 1.00 1.33 O ATOM 442 NE2 GLN A 26 -5.813 -13.793 -2.780 1.00 1.00 N ATOM 0 H GLN A 26 -7.916 -8.976 -1.745 1.00 0.23 H new ATOM 0 HA GLN A 26 -10.076 -10.816 -2.507 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -8.097 -11.672 -0.443 1.00 0.31 H new ATOM 0 HB3 GLN A 26 -9.254 -12.621 -1.355 1.00 0.31 H new ATOM 0 HG2 GLN A 26 -7.867 -11.839 -3.454 1.00 0.33 H new ATOM 0 HG3 GLN A 26 -6.620 -11.458 -2.283 1.00 0.33 H new ATOM 0 HE21 GLN A 26 -5.182 -13.024 -3.005 1.00 1.00 H new ATOM 0 HE22 GLN A 26 -5.477 -14.755 -2.814 1.00 1.00 H new ATOM 451 N VAL A 27 -11.044 -10.475 -0.096 1.00 0.30 N ATOM 452 CA VAL A 27 -11.767 -10.024 1.073 1.00 0.32 C ATOM 453 C VAL A 27 -12.253 -11.301 1.755 1.00 0.39 C ATOM 454 O VAL A 27 -12.649 -12.239 1.065 1.00 0.49 O ATOM 455 CB VAL A 27 -12.852 -9.042 0.589 1.00 0.34 C ATOM 456 CG1 VAL A 27 -14.067 -9.721 -0.054 1.00 0.49 C ATOM 457 CG2 VAL A 27 -13.319 -8.106 1.696 1.00 0.40 C ATOM 0 H VAL A 27 -11.466 -11.286 -0.548 1.00 0.30 H new ATOM 0 HA VAL A 27 -11.195 -9.464 1.813 1.00 0.32 H new ATOM 0 HB VAL A 27 -12.358 -8.460 -0.189 1.00 0.34 H new ATOM 0 HG11 VAL A 27 -14.784 -8.962 -0.368 1.00 0.49 H new ATOM 0 HG12 VAL A 27 -13.745 -10.297 -0.922 1.00 0.49 H new ATOM 0 HG13 VAL A 27 -14.537 -10.387 0.670 1.00 0.49 H new ATOM 0 HG21 VAL A 27 -14.083 -7.434 1.306 1.00 0.40 H new ATOM 0 HG22 VAL A 27 -13.735 -8.691 2.516 1.00 0.40 H new ATOM 0 HG23 VAL A 27 -12.473 -7.522 2.060 1.00 0.40 H new ATOM 467 N ASP A 28 -12.119 -11.400 3.076 1.00 0.37 N ATOM 468 CA ASP A 28 -12.572 -12.584 3.805 1.00 0.45 C ATOM 469 C ASP A 28 -14.103 -12.546 3.877 1.00 0.43 C ATOM 470 O ASP A 28 -14.691 -11.494 3.663 1.00 0.40 O ATOM 471 CB ASP A 28 -11.898 -12.582 5.178 1.00 0.50 C ATOM 472 CG ASP A 28 -12.089 -13.883 5.949 1.00 0.63 C ATOM 473 OD1 ASP A 28 -13.222 -14.108 6.428 1.00 1.15 O ATOM 474 OD2 ASP A 28 -11.092 -14.622 6.080 1.00 1.39 O ATOM 0 H ASP A 28 -11.702 -10.677 3.662 1.00 0.37 H new ATOM 0 HA ASP A 28 -12.296 -13.514 3.308 1.00 0.45 H new ATOM 0 HB2 ASP A 28 -10.831 -12.397 5.050 1.00 0.50 H new ATOM 0 HB3 ASP A 28 -12.296 -11.757 5.769 1.00 0.50 H new ATOM 479 N GLU A 29 -14.772 -13.666 4.142 1.00 0.51 N ATOM 480 CA GLU A 29 -16.226 -13.670 4.293 1.00 0.55 C ATOM 481 C GLU A 29 -16.583 -13.093 5.662 1.00 0.51 C ATOM 482 O GLU A 29 -17.396 -12.179 5.785 1.00 0.52 O ATOM 483 CB GLU A 29 -16.760 -15.106 4.164 1.00 0.70 C ATOM 484 CG GLU A 29 -17.036 -15.496 2.706 1.00 1.86 C ATOM 485 CD GLU A 29 -18.394 -14.975 2.220 1.00 2.97 C ATOM 486 OE1 GLU A 29 -18.657 -13.769 2.422 1.00 3.95 O ATOM 487 OE2 GLU A 29 -19.155 -15.793 1.659 1.00 3.68 O ATOM 0 H GLU A 29 -14.333 -14.579 4.256 1.00 0.51 H new ATOM 0 HA GLU A 29 -16.681 -13.060 3.513 1.00 0.55 H new ATOM 0 HB2 GLU A 29 -16.037 -15.800 4.593 1.00 0.70 H new ATOM 0 HB3 GLU A 29 -17.678 -15.203 4.744 1.00 0.70 H new ATOM 0 HG2 GLU A 29 -16.246 -15.099 2.069 1.00 1.86 H new ATOM 0 HG3 GLU A 29 -17.008 -16.581 2.609 1.00 1.86 H new ATOM 494 N ALA A 30 -15.979 -13.643 6.713 1.00 0.51 N ATOM 495 CA ALA A 30 -16.214 -13.185 8.069 1.00 0.50 C ATOM 496 C ALA A 30 -15.511 -11.847 8.261 1.00 0.41 C ATOM 497 O ALA A 30 -16.136 -10.834 8.573 1.00 0.45 O ATOM 498 CB ALA A 30 -15.707 -14.232 9.066 1.00 0.58 C ATOM 0 H ALA A 30 -15.316 -14.415 6.643 1.00 0.51 H new ATOM 0 HA ALA A 30 -17.281 -13.050 8.246 1.00 0.50 H new ATOM 0 HB1 ALA A 30 -15.886 -13.883 10.083 1.00 0.58 H new ATOM 0 HB2 ALA A 30 -16.235 -15.172 8.907 1.00 0.58 H new ATOM 0 HB3 ALA A 30 -14.638 -14.387 8.919 1.00 0.58 H new ATOM 504 N ASN A 31 -14.195 -11.825 8.054 1.00 0.37 N ATOM 505 CA ASN A 31 -13.414 -10.609 8.218 1.00 0.37 C ATOM 506 C ASN A 31 -13.435 -9.798 6.922 1.00 0.34 C ATOM 507 O ASN A 31 -12.388 -9.319 6.499 1.00 0.36 O ATOM 508 CB ASN A 31 -11.970 -10.949 8.635 1.00 0.46 C ATOM 509 CG ASN A 31 -11.865 -11.427 10.075 1.00 1.57 C ATOM 510 OD1 ASN A 31 -12.751 -11.197 10.889 1.00 2.67 O ATOM 511 ND2 ASN A 31 -10.760 -12.073 10.425 1.00 2.18 N ATOM 0 H ASN A 31 -13.650 -12.640 7.772 1.00 0.37 H new ATOM 0 HA ASN A 31 -13.857 -10.005 9.010 1.00 0.37 H new ATOM 0 HB2 ASN A 31 -11.578 -11.721 7.972 1.00 0.46 H new ATOM 0 HB3 ASN A 31 -11.343 -10.067 8.504 1.00 0.46 H new ATOM 0 HD21 ASN A 31 -10.637 -12.388 11.387 1.00 2.18 H new ATOM 0 HD22 ASN A 31 -10.034 -12.255 9.732 1.00 2.18 H new ATOM 518 N LEU A 32 -14.597 -9.604 6.285 1.00 0.33 N ATOM 519 CA LEU A 32 -14.666 -8.856 5.025 1.00 0.33 C ATOM 520 C LEU A 32 -14.278 -7.386 5.231 1.00 0.35 C ATOM 521 O LEU A 32 -13.856 -6.686 4.317 1.00 0.36 O ATOM 522 CB LEU A 32 -16.036 -9.071 4.338 1.00 0.39 C ATOM 523 CG LEU A 32 -17.002 -7.882 4.287 1.00 0.44 C ATOM 524 CD1 LEU A 32 -16.818 -7.037 3.017 1.00 0.72 C ATOM 525 CD2 LEU A 32 -18.442 -8.405 4.275 1.00 0.45 C ATOM 0 H LEU A 32 -15.496 -9.952 6.619 1.00 0.33 H new ATOM 0 HA LEU A 32 -13.924 -9.248 4.329 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -15.850 -9.396 3.314 1.00 0.39 H new ATOM 0 HB3 LEU A 32 -16.541 -9.892 4.847 1.00 0.39 H new ATOM 0 HG LEU A 32 -16.795 -7.264 5.160 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -17.524 -6.207 3.027 1.00 0.72 H new ATOM 0 HD12 LEU A 32 -15.801 -6.647 2.984 1.00 0.72 H new ATOM 0 HD13 LEU A 32 -16.998 -7.657 2.138 1.00 0.72 H new ATOM 0 HD21 LEU A 32 -19.134 -7.564 4.239 1.00 0.45 H new ATOM 0 HD22 LEU A 32 -18.592 -9.037 3.400 1.00 0.45 H new ATOM 0 HD23 LEU A 32 -18.625 -8.987 5.178 1.00 0.45 H new ATOM 537 N LEU A 33 -14.393 -6.913 6.471 1.00 0.36 N ATOM 538 CA LEU A 33 -13.887 -5.620 6.906 1.00 0.39 C ATOM 539 C LEU A 33 -12.397 -5.446 6.569 1.00 0.43 C ATOM 540 O LEU A 33 -11.945 -4.342 6.272 1.00 0.71 O ATOM 541 CB LEU A 33 -14.147 -5.509 8.415 1.00 0.40 C ATOM 542 CG LEU A 33 -15.626 -5.258 8.749 1.00 0.42 C ATOM 543 CD1 LEU A 33 -15.805 -5.271 10.265 1.00 0.42 C ATOM 544 CD2 LEU A 33 -16.116 -3.904 8.230 1.00 0.51 C ATOM 0 H LEU A 33 -14.853 -7.435 7.217 1.00 0.36 H new ATOM 0 HA LEU A 33 -14.402 -4.819 6.376 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -13.820 -6.427 8.904 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -13.544 -4.698 8.824 1.00 0.40 H new ATOM 0 HG LEU A 33 -16.206 -6.045 8.267 1.00 0.42 H new ATOM 0 HD11 LEU A 33 -16.852 -5.093 10.509 1.00 0.42 H new ATOM 0 HD12 LEU A 33 -15.500 -6.240 10.659 1.00 0.42 H new ATOM 0 HD13 LEU A 33 -15.191 -4.488 10.711 1.00 0.42 H new ATOM 0 HD21 LEU A 33 -17.166 -3.773 8.491 1.00 0.51 H new ATOM 0 HD22 LEU A 33 -15.527 -3.106 8.683 1.00 0.51 H new ATOM 0 HD23 LEU A 33 -16.004 -3.867 7.146 1.00 0.51 H new ATOM 556 N THR A 34 -11.615 -6.522 6.621 1.00 0.37 N ATOM 557 CA THR A 34 -10.196 -6.487 6.315 1.00 0.35 C ATOM 558 C THR A 34 -9.950 -6.890 4.866 1.00 0.33 C ATOM 559 O THR A 34 -10.637 -7.736 4.298 1.00 0.38 O ATOM 560 CB THR A 34 -9.450 -7.409 7.283 1.00 0.39 C ATOM 561 OG1 THR A 34 -9.709 -6.969 8.600 1.00 0.45 O ATOM 562 CG2 THR A 34 -7.938 -7.369 7.069 1.00 0.40 C ATOM 0 H THR A 34 -11.956 -7.448 6.879 1.00 0.37 H new ATOM 0 HA THR A 34 -9.821 -5.471 6.438 1.00 0.35 H new ATOM 0 HB THR A 34 -9.796 -8.428 7.110 1.00 0.39 H new ATOM 0 HG1 THR A 34 -9.241 -7.549 9.237 1.00 0.45 H new ATOM 0 HG21 THR A 34 -7.452 -8.039 7.779 1.00 0.40 H new ATOM 0 HG22 THR A 34 -7.706 -7.687 6.053 1.00 0.40 H new ATOM 0 HG23 THR A 34 -7.575 -6.353 7.223 1.00 0.40 H new ATOM 570 N TRP A 35 -8.937 -6.259 4.277 1.00 0.25 N ATOM 571 CA TRP A 35 -8.575 -6.401 2.881 1.00 0.23 C ATOM 572 C TRP A 35 -7.180 -6.989 2.801 1.00 0.21 C ATOM 573 O TRP A 35 -6.344 -6.736 3.668 1.00 0.24 O ATOM 574 CB TRP A 35 -8.543 -5.025 2.222 1.00 0.21 C ATOM 575 CG TRP A 35 -9.847 -4.318 2.084 1.00 0.23 C ATOM 576 CD1 TRP A 35 -10.768 -4.142 3.053 1.00 0.27 C ATOM 577 CD2 TRP A 35 -10.373 -3.648 0.906 1.00 0.22 C ATOM 578 NE1 TRP A 35 -11.862 -3.496 2.536 1.00 0.27 N ATOM 579 CE2 TRP A 35 -11.666 -3.137 1.216 1.00 0.24 C ATOM 580 CE3 TRP A 35 -9.875 -3.417 -0.394 1.00 0.23 C ATOM 581 CZ2 TRP A 35 -12.427 -2.428 0.275 1.00 0.25 C ATOM 582 CZ3 TRP A 35 -10.630 -2.710 -1.343 1.00 0.24 C ATOM 583 CH2 TRP A 35 -11.900 -2.206 -1.008 1.00 0.25 C ATOM 0 H TRP A 35 -8.329 -5.614 4.781 1.00 0.25 H new ATOM 0 HA TRP A 35 -9.300 -7.042 2.379 1.00 0.23 H new ATOM 0 HB2 TRP A 35 -7.870 -4.388 2.796 1.00 0.21 H new ATOM 0 HB3 TRP A 35 -8.108 -5.134 1.228 1.00 0.21 H new ATOM 0 HD1 TRP A 35 -10.661 -4.461 4.079 1.00 0.27 H new ATOM 0 HE1 TRP A 35 -12.715 -3.304 3.061 1.00 0.27 H new ATOM 0 HE3 TRP A 35 -8.898 -3.790 -0.663 1.00 0.23 H new ATOM 0 HZ2 TRP A 35 -13.408 -2.057 0.534 1.00 0.25 H new ATOM 0 HZ3 TRP A 35 -10.234 -2.552 -2.335 1.00 0.24 H new ATOM 0 HH2 TRP A 35 -12.470 -1.649 -1.737 1.00 0.25 H new ATOM 594 N GLN A 36 -6.898 -7.717 1.728 1.00 0.22 N ATOM 595 CA GLN A 36 -5.587 -8.286 1.491 1.00 0.23 C ATOM 596 C GLN A 36 -5.364 -8.290 -0.013 1.00 0.28 C ATOM 597 O GLN A 36 -6.267 -8.652 -0.760 1.00 0.40 O ATOM 598 CB GLN A 36 -5.518 -9.700 2.097 1.00 0.32 C ATOM 599 CG GLN A 36 -6.844 -10.462 1.935 1.00 0.51 C ATOM 600 CD GLN A 36 -6.723 -11.964 2.182 1.00 0.73 C ATOM 601 OE1 GLN A 36 -5.708 -12.585 1.879 1.00 1.28 O ATOM 602 NE2 GLN A 36 -7.769 -12.586 2.712 1.00 1.30 N ATOM 0 H GLN A 36 -7.578 -7.927 0.998 1.00 0.22 H new ATOM 0 HA GLN A 36 -4.799 -7.703 1.968 1.00 0.23 H new ATOM 0 HB2 GLN A 36 -4.716 -10.261 1.617 1.00 0.32 H new ATOM 0 HB3 GLN A 36 -5.268 -9.629 3.156 1.00 0.32 H new ATOM 0 HG2 GLN A 36 -7.578 -10.047 2.626 1.00 0.51 H new ATOM 0 HG3 GLN A 36 -7.226 -10.298 0.927 1.00 0.51 H new ATOM 0 HE21 GLN A 36 -8.606 -12.057 2.959 1.00 1.30 H new ATOM 0 HE22 GLN A 36 -7.736 -13.593 2.872 1.00 1.30 H new ATOM 611 N GLY A 37 -4.184 -7.882 -0.474 1.00 0.29 N ATOM 612 CA GLY A 37 -3.844 -8.019 -1.880 1.00 0.27 C ATOM 613 C GLY A 37 -2.395 -7.634 -2.112 1.00 0.21 C ATOM 614 O GLY A 37 -1.618 -7.596 -1.164 1.00 0.26 O ATOM 0 H GLY A 37 -3.457 -7.458 0.102 1.00 0.29 H new ATOM 0 HA2 GLY A 37 -4.010 -9.047 -2.203 1.00 0.27 H new ATOM 0 HA3 GLY A 37 -4.496 -7.386 -2.482 1.00 0.27 H new ATOM 618 N LEU A 38 -2.008 -7.363 -3.355 1.00 0.17 N ATOM 619 CA LEU A 38 -0.666 -6.906 -3.677 1.00 0.20 C ATOM 620 C LEU A 38 -0.770 -5.722 -4.619 1.00 0.27 C ATOM 621 O LEU A 38 -1.826 -5.467 -5.194 1.00 0.27 O ATOM 622 CB LEU A 38 0.208 -8.055 -4.219 1.00 0.30 C ATOM 623 CG LEU A 38 -0.119 -8.594 -5.628 1.00 0.24 C ATOM 624 CD1 LEU A 38 0.360 -7.687 -6.768 1.00 0.43 C ATOM 625 CD2 LEU A 38 0.589 -9.938 -5.824 1.00 0.37 C ATOM 0 H LEU A 38 -2.619 -7.455 -4.166 1.00 0.17 H new ATOM 0 HA LEU A 38 -0.155 -6.571 -2.774 1.00 0.20 H new ATOM 0 HB2 LEU A 38 1.245 -7.718 -4.220 1.00 0.30 H new ATOM 0 HB3 LEU A 38 0.144 -8.887 -3.517 1.00 0.30 H new ATOM 0 HG LEU A 38 -1.206 -8.664 -5.674 1.00 0.24 H new ATOM 0 HD11 LEU A 38 0.093 -8.134 -7.725 1.00 0.43 H new ATOM 0 HD12 LEU A 38 -0.114 -6.710 -6.679 1.00 0.43 H new ATOM 0 HD13 LEU A 38 1.442 -7.572 -6.711 1.00 0.43 H new ATOM 0 HD21 LEU A 38 0.364 -10.327 -6.817 1.00 0.37 H new ATOM 0 HD22 LEU A 38 1.666 -9.800 -5.724 1.00 0.37 H new ATOM 0 HD23 LEU A 38 0.242 -10.645 -5.070 1.00 0.37 H new ATOM 637 N ILE A 39 0.323 -4.988 -4.785 1.00 0.40 N ATOM 638 CA ILE A 39 0.340 -3.814 -5.634 1.00 0.40 C ATOM 639 C ILE A 39 1.513 -3.947 -6.598 1.00 0.40 C ATOM 640 O ILE A 39 2.592 -4.385 -6.203 1.00 0.58 O ATOM 641 CB ILE A 39 0.319 -2.528 -4.778 1.00 0.39 C ATOM 642 CG1 ILE A 39 1.334 -2.560 -3.619 1.00 0.41 C ATOM 643 CG2 ILE A 39 -1.094 -2.348 -4.201 1.00 0.38 C ATOM 644 CD1 ILE A 39 1.285 -1.297 -2.754 1.00 0.42 C ATOM 0 H ILE A 39 1.216 -5.192 -4.336 1.00 0.40 H new ATOM 0 HA ILE A 39 -0.558 -3.735 -6.246 1.00 0.40 H new ATOM 0 HB ILE A 39 0.598 -1.697 -5.426 1.00 0.39 H new ATOM 0 HG12 ILE A 39 1.138 -3.431 -2.994 1.00 0.41 H new ATOM 0 HG13 ILE A 39 2.339 -2.679 -4.025 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.126 -1.444 -3.593 1.00 0.38 H new ATOM 0 HG22 ILE A 39 -1.812 -2.263 -5.017 1.00 0.38 H new ATOM 0 HG23 ILE A 39 -1.347 -3.210 -3.583 1.00 0.38 H new ATOM 0 HD11 ILE A 39 2.021 -1.375 -1.954 1.00 0.42 H new ATOM 0 HD12 ILE A 39 1.509 -0.426 -3.369 1.00 0.42 H new ATOM 0 HD13 ILE A 39 0.290 -1.190 -2.322 1.00 0.42 H new ATOM 656 N VAL A 40 1.269 -3.635 -7.872 1.00 0.38 N ATOM 657 CA VAL A 40 2.194 -3.793 -8.985 1.00 0.40 C ATOM 658 C VAL A 40 2.518 -2.394 -9.524 1.00 0.65 C ATOM 659 O VAL A 40 1.902 -1.956 -10.491 1.00 1.22 O ATOM 660 CB VAL A 40 1.579 -4.697 -10.075 1.00 0.34 C ATOM 661 CG1 VAL A 40 2.681 -5.253 -10.979 1.00 0.48 C ATOM 662 CG2 VAL A 40 0.806 -5.885 -9.499 1.00 0.33 C ATOM 0 H VAL A 40 0.373 -3.245 -8.166 1.00 0.38 H new ATOM 0 HA VAL A 40 3.113 -4.279 -8.658 1.00 0.40 H new ATOM 0 HB VAL A 40 0.884 -4.069 -10.632 1.00 0.34 H new ATOM 0 HG11 VAL A 40 2.237 -5.889 -11.745 1.00 0.48 H new ATOM 0 HG12 VAL A 40 3.211 -4.428 -11.455 1.00 0.48 H new ATOM 0 HG13 VAL A 40 3.381 -5.838 -10.382 1.00 0.48 H new ATOM 0 HG21 VAL A 40 0.398 -6.483 -10.314 1.00 0.33 H new ATOM 0 HG22 VAL A 40 1.477 -6.500 -8.899 1.00 0.33 H new ATOM 0 HG23 VAL A 40 -0.008 -5.520 -8.873 1.00 0.33 H new ATOM 672 N PRO A 41 3.434 -1.663 -8.877 1.00 0.71 N ATOM 673 CA PRO A 41 3.848 -0.327 -9.286 1.00 0.86 C ATOM 674 C PRO A 41 4.695 -0.400 -10.559 1.00 0.43 C ATOM 675 O PRO A 41 5.001 -1.492 -11.021 1.00 0.51 O ATOM 676 CB PRO A 41 4.645 0.198 -8.090 1.00 1.37 C ATOM 677 CG PRO A 41 5.301 -1.077 -7.571 1.00 1.26 C ATOM 678 CD PRO A 41 4.183 -2.100 -7.719 1.00 1.13 C ATOM 0 HA PRO A 41 3.013 0.330 -9.530 1.00 0.86 H new ATOM 0 HB2 PRO A 41 5.381 0.946 -8.385 1.00 1.37 H new ATOM 0 HB3 PRO A 41 4.002 0.661 -7.342 1.00 1.37 H new ATOM 0 HG2 PRO A 41 6.181 -1.348 -8.155 1.00 1.26 H new ATOM 0 HG3 PRO A 41 5.625 -0.975 -6.535 1.00 1.26 H new ATOM 0 HD2 PRO A 41 4.582 -3.104 -7.862 1.00 1.13 H new ATOM 0 HD3 PRO A 41 3.554 -2.130 -6.829 1.00 1.13 H new ATOM 686 N ASP A 42 5.107 0.752 -11.097 1.00 0.52 N ATOM 687 CA ASP A 42 5.835 0.837 -12.366 1.00 0.44 C ATOM 688 C ASP A 42 7.240 1.405 -12.152 1.00 0.36 C ATOM 689 O ASP A 42 8.205 0.912 -12.724 1.00 0.36 O ATOM 690 CB ASP A 42 5.063 1.727 -13.356 1.00 0.74 C ATOM 691 CG ASP A 42 3.966 0.974 -14.111 1.00 1.10 C ATOM 692 OD1 ASP A 42 4.282 -0.107 -14.657 1.00 1.76 O ATOM 693 OD2 ASP A 42 2.837 1.510 -14.169 1.00 1.62 O ATOM 0 H ASP A 42 4.943 1.659 -10.660 1.00 0.52 H new ATOM 0 HA ASP A 42 5.926 -0.169 -12.775 1.00 0.44 H new ATOM 0 HB2 ASP A 42 4.616 2.560 -12.814 1.00 0.74 H new ATOM 0 HB3 ASP A 42 5.763 2.153 -14.074 1.00 0.74 H new ATOM 698 N ASN A 43 7.346 2.471 -11.355 1.00 0.37 N ATOM 699 CA ASN A 43 8.588 3.201 -11.096 1.00 0.36 C ATOM 700 C ASN A 43 9.684 2.322 -10.478 1.00 0.36 C ATOM 701 O ASN A 43 10.791 2.274 -11.009 1.00 0.49 O ATOM 702 CB ASN A 43 8.322 4.443 -10.224 1.00 0.40 C ATOM 703 CG ASN A 43 8.738 5.725 -10.926 1.00 0.44 C ATOM 704 OD1 ASN A 43 9.914 6.053 -10.996 1.00 0.51 O ATOM 705 ND2 ASN A 43 7.779 6.462 -11.471 1.00 0.57 N ATOM 0 H ASN A 43 6.546 2.861 -10.857 1.00 0.37 H new ATOM 0 HA ASN A 43 8.964 3.526 -12.066 1.00 0.36 H new ATOM 0 HB2 ASN A 43 7.262 4.492 -9.975 1.00 0.40 H new ATOM 0 HB3 ASN A 43 8.866 4.350 -9.284 1.00 0.40 H new ATOM 0 HD21 ASN A 43 8.015 7.324 -11.962 1.00 0.57 H new ATOM 0 HD22 ASN A 43 6.805 6.167 -11.399 1.00 0.57 H new ATOM 712 N PRO A 44 9.442 1.670 -9.328 1.00 0.31 N ATOM 713 CA PRO A 44 10.413 0.765 -8.738 1.00 0.30 C ATOM 714 C PRO A 44 10.446 -0.524 -9.565 1.00 0.36 C ATOM 715 O PRO A 44 9.559 -0.749 -10.383 1.00 0.56 O ATOM 716 CB PRO A 44 9.906 0.531 -7.312 1.00 0.36 C ATOM 717 CG PRO A 44 8.397 0.567 -7.509 1.00 0.49 C ATOM 718 CD PRO A 44 8.219 1.669 -8.548 1.00 0.44 C ATOM 0 HA PRO A 44 11.432 1.152 -8.722 1.00 0.30 H new ATOM 0 HB2 PRO A 44 10.243 -0.424 -6.910 1.00 0.36 H new ATOM 0 HB3 PRO A 44 10.247 1.305 -6.624 1.00 0.36 H new ATOM 0 HG2 PRO A 44 8.012 -0.389 -7.863 1.00 0.49 H new ATOM 0 HG3 PRO A 44 7.873 0.797 -6.581 1.00 0.49 H new ATOM 0 HD2 PRO A 44 7.352 1.476 -9.179 1.00 0.44 H new ATOM 0 HD3 PRO A 44 8.058 2.636 -8.071 1.00 0.44 H new ATOM 726 N PRO A 45 11.443 -1.391 -9.346 1.00 0.29 N ATOM 727 CA PRO A 45 11.697 -2.599 -10.132 1.00 0.33 C ATOM 728 C PRO A 45 10.671 -3.721 -9.882 1.00 0.37 C ATOM 729 O PRO A 45 11.007 -4.806 -9.406 1.00 0.76 O ATOM 730 CB PRO A 45 13.130 -3.004 -9.783 1.00 0.43 C ATOM 731 CG PRO A 45 13.297 -2.451 -8.382 1.00 0.30 C ATOM 732 CD PRO A 45 12.537 -1.140 -8.435 1.00 0.30 C ATOM 0 HA PRO A 45 11.585 -2.406 -11.199 1.00 0.33 H new ATOM 0 HB2 PRO A 45 13.264 -4.085 -9.811 1.00 0.43 H new ATOM 0 HB3 PRO A 45 13.853 -2.575 -10.477 1.00 0.43 H new ATOM 0 HG2 PRO A 45 12.885 -3.125 -7.631 1.00 0.30 H new ATOM 0 HG3 PRO A 45 14.347 -2.298 -8.132 1.00 0.30 H new ATOM 0 HD2 PRO A 45 12.174 -0.852 -7.449 1.00 0.30 H new ATOM 0 HD3 PRO A 45 13.171 -0.328 -8.791 1.00 0.30 H new ATOM 740 N TYR A 46 9.418 -3.495 -10.276 1.00 0.39 N ATOM 741 CA TYR A 46 8.316 -4.436 -10.141 1.00 0.44 C ATOM 742 C TYR A 46 8.495 -5.641 -11.059 1.00 0.46 C ATOM 743 O TYR A 46 7.798 -6.641 -10.925 1.00 0.76 O ATOM 744 CB TYR A 46 7.004 -3.726 -10.484 1.00 0.48 C ATOM 745 CG TYR A 46 6.769 -3.584 -11.977 1.00 0.46 C ATOM 746 CD1 TYR A 46 7.341 -2.517 -12.697 1.00 2.11 C ATOM 747 CD2 TYR A 46 5.992 -4.547 -12.649 1.00 2.09 C ATOM 748 CE1 TYR A 46 7.129 -2.411 -14.082 1.00 2.14 C ATOM 749 CE2 TYR A 46 5.771 -4.445 -14.032 1.00 2.24 C ATOM 750 CZ TYR A 46 6.339 -3.370 -14.754 1.00 0.99 C ATOM 751 OH TYR A 46 6.138 -3.259 -16.097 1.00 1.33 O ATOM 0 H TYR A 46 9.136 -2.618 -10.714 1.00 0.39 H new ATOM 0 HA TYR A 46 8.296 -4.795 -9.112 1.00 0.44 H new ATOM 0 HB2 TYR A 46 6.174 -4.279 -10.044 1.00 0.48 H new ATOM 0 HB3 TYR A 46 7.005 -2.736 -10.028 1.00 0.48 H new ATOM 0 HD1 TYR A 46 7.942 -1.781 -12.185 1.00 2.11 H new ATOM 0 HD2 TYR A 46 5.563 -5.370 -12.097 1.00 2.09 H new ATOM 0 HE1 TYR A 46 7.571 -1.595 -14.634 1.00 2.14 H new ATOM 0 HE2 TYR A 46 5.170 -5.184 -14.542 1.00 2.24 H new ATOM 0 HH TYR A 46 5.574 -3.998 -16.406 1.00 1.33 H new ATOM 761 N ASP A 47 9.415 -5.578 -12.021 1.00 0.45 N ATOM 762 CA ASP A 47 9.665 -6.737 -12.858 1.00 0.47 C ATOM 763 C ASP A 47 10.022 -7.947 -11.988 1.00 0.48 C ATOM 764 O ASP A 47 9.646 -9.076 -12.290 1.00 0.60 O ATOM 765 CB ASP A 47 10.757 -6.444 -13.886 1.00 0.51 C ATOM 766 CG ASP A 47 11.054 -7.706 -14.695 1.00 1.78 C ATOM 767 OD1 ASP A 47 12.249 -8.083 -14.730 1.00 3.19 O ATOM 768 OD2 ASP A 47 10.080 -8.289 -15.229 1.00 2.78 O ATOM 0 H ASP A 47 9.983 -4.757 -12.232 1.00 0.45 H new ATOM 0 HA ASP A 47 8.756 -6.972 -13.411 1.00 0.47 H new ATOM 0 HB2 ASP A 47 10.438 -5.641 -14.551 1.00 0.51 H new ATOM 0 HB3 ASP A 47 11.661 -6.102 -13.383 1.00 0.51 H new ATOM 773 N LYS A 48 10.725 -7.736 -10.873 1.00 0.43 N ATOM 774 CA LYS A 48 11.224 -8.872 -10.107 1.00 0.38 C ATOM 775 C LYS A 48 10.174 -9.397 -9.127 1.00 0.32 C ATOM 776 O LYS A 48 10.432 -10.397 -8.463 1.00 0.45 O ATOM 777 CB LYS A 48 12.549 -8.507 -9.416 1.00 0.41 C ATOM 778 CG LYS A 48 13.730 -8.528 -10.401 1.00 0.48 C ATOM 779 CD LYS A 48 13.570 -7.504 -11.531 1.00 0.98 C ATOM 780 CE LYS A 48 14.820 -7.379 -12.401 1.00 1.08 C ATOM 781 NZ LYS A 48 14.819 -8.340 -13.522 1.00 2.08 N ATOM 0 H LYS A 48 10.955 -6.818 -10.492 1.00 0.43 H new ATOM 0 HA LYS A 48 11.428 -9.692 -10.795 1.00 0.38 H new ATOM 0 HB2 LYS A 48 12.465 -7.516 -8.969 1.00 0.41 H new ATOM 0 HB3 LYS A 48 12.741 -9.208 -8.603 1.00 0.41 H new ATOM 0 HG2 LYS A 48 14.654 -8.326 -9.860 1.00 0.48 H new ATOM 0 HG3 LYS A 48 13.824 -9.526 -10.830 1.00 0.48 H new ATOM 0 HD2 LYS A 48 12.725 -7.790 -12.157 1.00 0.98 H new ATOM 0 HD3 LYS A 48 13.333 -6.530 -11.102 1.00 0.98 H new ATOM 0 HE2 LYS A 48 14.886 -6.365 -12.795 1.00 1.08 H new ATOM 0 HE3 LYS A 48 15.706 -7.541 -11.787 1.00 1.08 H new ATOM 0 HZ1 LYS A 48 15.582 -8.099 -14.186 1.00 2.08 H new ATOM 0 HZ2 LYS A 48 14.970 -9.301 -13.155 1.00 2.08 H new ATOM 0 HZ3 LYS A 48 13.904 -8.297 -14.015 1.00 2.08 H new ATOM 795 N GLY A 49 9.014 -8.744 -8.993 1.00 0.23 N ATOM 796 CA GLY A 49 8.025 -9.127 -8.001 1.00 0.25 C ATOM 797 C GLY A 49 7.160 -7.930 -7.625 1.00 0.26 C ATOM 798 O GLY A 49 7.047 -6.967 -8.374 1.00 0.33 O ATOM 0 H GLY A 49 8.744 -7.945 -9.566 1.00 0.23 H new ATOM 0 HA2 GLY A 49 7.398 -9.928 -8.393 1.00 0.25 H new ATOM 0 HA3 GLY A 49 8.523 -9.517 -7.113 1.00 0.25 H new ATOM 802 N ALA A 50 6.525 -7.978 -6.463 1.00 0.28 N ATOM 803 CA ALA A 50 5.545 -6.997 -6.053 1.00 0.34 C ATOM 804 C ALA A 50 5.590 -6.876 -4.535 1.00 0.37 C ATOM 805 O ALA A 50 6.591 -7.217 -3.906 1.00 0.25 O ATOM 806 CB ALA A 50 4.166 -7.434 -6.560 1.00 0.42 C ATOM 0 H ALA A 50 6.682 -8.712 -5.772 1.00 0.28 H new ATOM 0 HA ALA A 50 5.758 -6.016 -6.477 1.00 0.34 H new ATOM 0 HB1 ALA A 50 3.418 -6.702 -6.257 1.00 0.42 H new ATOM 0 HB2 ALA A 50 4.184 -7.505 -7.648 1.00 0.42 H new ATOM 0 HB3 ALA A 50 3.914 -8.406 -6.137 1.00 0.42 H new ATOM 812 N PHE A 51 4.514 -6.378 -3.932 1.00 0.59 N ATOM 813 CA PHE A 51 4.496 -5.983 -2.539 1.00 0.47 C ATOM 814 C PHE A 51 3.136 -6.405 -2.007 1.00 0.41 C ATOM 815 O PHE A 51 2.122 -5.922 -2.514 1.00 0.42 O ATOM 816 CB PHE A 51 4.710 -4.461 -2.467 1.00 0.52 C ATOM 817 CG PHE A 51 5.824 -3.974 -3.385 1.00 1.04 C ATOM 818 CD1 PHE A 51 7.157 -4.026 -2.953 1.00 1.17 C ATOM 819 CD2 PHE A 51 5.556 -3.647 -4.728 1.00 3.02 C ATOM 820 CE1 PHE A 51 8.212 -3.790 -3.851 1.00 1.39 C ATOM 821 CE2 PHE A 51 6.613 -3.433 -5.633 1.00 3.88 C ATOM 822 CZ PHE A 51 7.942 -3.496 -5.195 1.00 2.76 C ATOM 0 H PHE A 51 3.623 -6.238 -4.408 1.00 0.59 H new ATOM 0 HA PHE A 51 5.281 -6.447 -1.942 1.00 0.47 H new ATOM 0 HB2 PHE A 51 3.781 -3.956 -2.732 1.00 0.52 H new ATOM 0 HB3 PHE A 51 4.944 -4.180 -1.440 1.00 0.52 H new ATOM 0 HD1 PHE A 51 7.375 -4.250 -1.919 1.00 1.17 H new ATOM 0 HD2 PHE A 51 4.534 -3.560 -5.066 1.00 3.02 H new ATOM 0 HE1 PHE A 51 9.234 -3.835 -3.505 1.00 1.39 H new ATOM 0 HE2 PHE A 51 6.398 -3.219 -6.670 1.00 3.88 H new ATOM 0 HZ PHE A 51 8.752 -3.320 -5.887 1.00 2.76 H new ATOM 832 N ARG A 52 3.084 -7.340 -1.053 1.00 0.41 N ATOM 833 CA ARG A 52 1.797 -7.756 -0.508 1.00 0.37 C ATOM 834 C ARG A 52 1.474 -6.837 0.647 1.00 0.33 C ATOM 835 O ARG A 52 2.331 -6.631 1.507 1.00 0.39 O ATOM 836 CB ARG A 52 1.809 -9.219 -0.054 1.00 0.44 C ATOM 837 CG ARG A 52 0.376 -9.636 0.291 1.00 0.60 C ATOM 838 CD ARG A 52 0.164 -11.133 0.536 1.00 0.67 C ATOM 839 NE ARG A 52 -1.246 -11.466 0.267 1.00 1.27 N ATOM 840 CZ ARG A 52 -2.018 -12.375 0.876 1.00 1.73 C ATOM 841 NH1 ARG A 52 -3.297 -12.472 0.523 1.00 2.50 N ATOM 842 NH2 ARG A 52 -1.521 -13.169 1.824 1.00 2.34 N ATOM 0 H ARG A 52 3.897 -7.810 -0.654 1.00 0.41 H new ATOM 0 HA ARG A 52 1.034 -7.687 -1.283 1.00 0.37 H new ATOM 0 HB2 ARG A 52 2.209 -9.856 -0.843 1.00 0.44 H new ATOM 0 HB3 ARG A 52 2.458 -9.340 0.814 1.00 0.44 H new ATOM 0 HG2 ARG A 52 0.063 -9.092 1.182 1.00 0.60 H new ATOM 0 HG3 ARG A 52 -0.280 -9.322 -0.521 1.00 0.60 H new ATOM 0 HD2 ARG A 52 0.819 -11.717 -0.110 1.00 0.67 H new ATOM 0 HD3 ARG A 52 0.422 -11.387 1.564 1.00 0.67 H new ATOM 0 HE ARG A 52 -1.692 -10.935 -0.481 1.00 1.27 H new ATOM 0 HH11 ARG A 52 -3.674 -11.860 -0.200 1.00 2.50 H new ATOM 0 HH12 ARG A 52 -3.900 -13.159 0.976 1.00 2.50 H new ATOM 0 HH21 ARG A 52 -0.541 -13.089 2.094 1.00 2.34 H new ATOM 0 HH22 ARG A 52 -2.121 -13.857 2.279 1.00 2.34 H new ATOM 856 N ILE A 53 0.255 -6.308 0.686 1.00 0.24 N ATOM 857 CA ILE A 53 -0.173 -5.377 1.702 1.00 0.20 C ATOM 858 C ILE A 53 -1.570 -5.767 2.178 1.00 0.25 C ATOM 859 O ILE A 53 -2.372 -6.313 1.420 1.00 0.44 O ATOM 860 CB ILE A 53 -0.057 -3.931 1.178 1.00 0.18 C ATOM 861 CG1 ILE A 53 -1.027 -3.549 0.049 1.00 0.24 C ATOM 862 CG2 ILE A 53 1.362 -3.702 0.641 1.00 0.26 C ATOM 863 CD1 ILE A 53 -1.211 -2.029 0.026 1.00 0.36 C ATOM 0 H ILE A 53 -0.467 -6.523 -0.001 1.00 0.24 H new ATOM 0 HA ILE A 53 0.476 -5.421 2.577 1.00 0.20 H new ATOM 0 HB ILE A 53 -0.309 -3.309 2.037 1.00 0.18 H new ATOM 0 HG12 ILE A 53 -0.640 -3.894 -0.910 1.00 0.24 H new ATOM 0 HG13 ILE A 53 -1.988 -4.040 0.199 1.00 0.24 H new ATOM 0 HG21 ILE A 53 1.450 -2.681 0.269 1.00 0.26 H new ATOM 0 HG22 ILE A 53 2.084 -3.860 1.442 1.00 0.26 H new ATOM 0 HG23 ILE A 53 1.561 -4.402 -0.170 1.00 0.26 H new ATOM 0 HD11 ILE A 53 -1.899 -1.758 -0.775 1.00 0.36 H new ATOM 0 HD12 ILE A 53 -1.617 -1.697 0.981 1.00 0.36 H new ATOM 0 HD13 ILE A 53 -0.248 -1.548 -0.145 1.00 0.36 H new ATOM 875 N GLU A 54 -1.848 -5.516 3.452 1.00 0.21 N ATOM 876 CA GLU A 54 -3.104 -5.867 4.099 1.00 0.24 C ATOM 877 C GLU A 54 -3.626 -4.589 4.737 1.00 0.22 C ATOM 878 O GLU A 54 -2.822 -3.832 5.280 1.00 0.26 O ATOM 879 CB GLU A 54 -2.812 -6.941 5.151 1.00 0.33 C ATOM 880 CG GLU A 54 -4.062 -7.449 5.884 1.00 0.45 C ATOM 881 CD GLU A 54 -3.687 -8.219 7.153 1.00 0.78 C ATOM 882 OE1 GLU A 54 -2.581 -8.809 7.168 1.00 0.88 O ATOM 883 OE2 GLU A 54 -4.464 -8.153 8.128 1.00 1.97 O ATOM 0 H GLU A 54 -1.190 -5.052 4.078 1.00 0.21 H new ATOM 0 HA GLU A 54 -3.846 -6.264 3.407 1.00 0.24 H new ATOM 0 HB2 GLU A 54 -2.318 -7.784 4.668 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -2.112 -6.538 5.883 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -4.702 -6.606 6.143 1.00 0.45 H new ATOM 0 HG3 GLU A 54 -4.638 -8.095 5.221 1.00 0.45 H new ATOM 890 N ILE A 55 -4.934 -4.326 4.654 1.00 0.28 N ATOM 891 CA ILE A 55 -5.530 -3.093 5.147 1.00 0.29 C ATOM 892 C ILE A 55 -6.650 -3.472 6.107 1.00 0.31 C ATOM 893 O ILE A 55 -7.690 -3.981 5.692 1.00 0.50 O ATOM 894 CB ILE A 55 -6.070 -2.217 3.996 1.00 0.28 C ATOM 895 CG1 ILE A 55 -5.091 -2.126 2.808 1.00 0.35 C ATOM 896 CG2 ILE A 55 -6.440 -0.830 4.540 1.00 0.41 C ATOM 897 CD1 ILE A 55 -5.574 -2.972 1.630 1.00 0.59 C ATOM 0 H ILE A 55 -5.608 -4.970 4.240 1.00 0.28 H new ATOM 0 HA ILE A 55 -4.771 -2.499 5.657 1.00 0.29 H new ATOM 0 HB ILE A 55 -6.966 -2.693 3.599 1.00 0.28 H new ATOM 0 HG12 ILE A 55 -4.989 -1.087 2.496 1.00 0.35 H new ATOM 0 HG13 ILE A 55 -4.103 -2.463 3.121 1.00 0.35 H new ATOM 0 HG21 ILE A 55 -6.821 -0.211 3.728 1.00 0.41 H new ATOM 0 HG22 ILE A 55 -7.206 -0.933 5.308 1.00 0.41 H new ATOM 0 HG23 ILE A 55 -5.556 -0.360 4.970 1.00 0.41 H new ATOM 0 HD11 ILE A 55 -4.864 -2.889 0.807 1.00 0.59 H new ATOM 0 HD12 ILE A 55 -5.651 -4.015 1.938 1.00 0.59 H new ATOM 0 HD13 ILE A 55 -6.551 -2.617 1.304 1.00 0.59 H new ATOM 909 N ASN A 56 -6.448 -3.251 7.400 1.00 0.47 N ATOM 910 CA ASN A 56 -7.446 -3.591 8.396 1.00 0.44 C ATOM 911 C ASN A 56 -8.416 -2.424 8.496 1.00 0.39 C ATOM 912 O ASN A 56 -8.032 -1.360 8.987 1.00 0.43 O ATOM 913 CB ASN A 56 -6.764 -3.861 9.744 1.00 0.56 C ATOM 914 CG ASN A 56 -5.651 -4.887 9.599 1.00 0.66 C ATOM 915 OD1 ASN A 56 -4.481 -4.526 9.563 1.00 1.08 O ATOM 916 ND2 ASN A 56 -6.003 -6.157 9.463 1.00 1.45 N ATOM 0 H ASN A 56 -5.597 -2.836 7.781 1.00 0.47 H new ATOM 0 HA ASN A 56 -7.987 -4.494 8.114 1.00 0.44 H new ATOM 0 HB2 ASN A 56 -6.356 -2.931 10.141 1.00 0.56 H new ATOM 0 HB3 ASN A 56 -7.501 -4.219 10.463 1.00 0.56 H new ATOM 0 HD21 ASN A 56 -5.289 -6.872 9.323 1.00 1.45 H new ATOM 0 HD22 ASN A 56 -6.988 -6.420 9.499 1.00 1.45 H new ATOM 923 N PHE A 57 -9.660 -2.612 8.041 1.00 0.37 N ATOM 924 CA PHE A 57 -10.647 -1.538 8.019 1.00 0.34 C ATOM 925 C PHE A 57 -11.838 -1.925 8.894 1.00 0.33 C ATOM 926 O PHE A 57 -12.797 -2.524 8.418 1.00 0.40 O ATOM 927 CB PHE A 57 -11.057 -1.209 6.573 1.00 0.38 C ATOM 928 CG PHE A 57 -11.206 0.261 6.227 1.00 0.70 C ATOM 929 CD1 PHE A 57 -11.049 0.643 4.887 1.00 1.19 C ATOM 930 CD2 PHE A 57 -11.465 1.249 7.196 1.00 2.24 C ATOM 931 CE1 PHE A 57 -11.150 1.990 4.502 1.00 1.16 C ATOM 932 CE2 PHE A 57 -11.534 2.602 6.819 1.00 2.62 C ATOM 933 CZ PHE A 57 -11.391 2.976 5.472 1.00 1.52 C ATOM 0 H PHE A 57 -10.003 -3.503 7.683 1.00 0.37 H new ATOM 0 HA PHE A 57 -10.213 -0.627 8.432 1.00 0.34 H new ATOM 0 HB2 PHE A 57 -10.316 -1.644 5.902 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -12.005 -1.706 6.366 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.847 -0.110 4.140 1.00 1.19 H new ATOM 0 HD2 PHE A 57 -11.611 0.968 8.229 1.00 2.24 H new ATOM 0 HE1 PHE A 57 -11.043 2.266 3.463 1.00 1.16 H new ATOM 0 HE2 PHE A 57 -11.698 3.360 7.571 1.00 2.62 H new ATOM 0 HZ PHE A 57 -11.466 4.014 5.185 1.00 1.52 H new ATOM 943 N PRO A 58 -11.790 -1.623 10.195 1.00 0.35 N ATOM 944 CA PRO A 58 -12.806 -2.088 11.118 1.00 0.40 C ATOM 945 C PRO A 58 -14.152 -1.417 10.832 1.00 0.35 C ATOM 946 O PRO A 58 -14.246 -0.469 10.055 1.00 0.28 O ATOM 947 CB PRO A 58 -12.257 -1.759 12.511 1.00 0.48 C ATOM 948 CG PRO A 58 -11.316 -0.580 12.263 1.00 0.46 C ATOM 949 CD PRO A 58 -10.753 -0.864 10.872 1.00 0.41 C ATOM 0 HA PRO A 58 -13.003 -3.156 11.025 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -13.056 -1.494 13.204 1.00 0.48 H new ATOM 0 HB3 PRO A 58 -11.729 -2.609 12.944 1.00 0.48 H new ATOM 0 HG2 PRO A 58 -11.847 0.372 12.295 1.00 0.46 H new ATOM 0 HG3 PRO A 58 -10.527 -0.531 13.014 1.00 0.46 H new ATOM 0 HD2 PRO A 58 -10.530 0.061 10.340 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.824 -1.430 10.930 1.00 0.41 H new ATOM 957 N ALA A 59 -15.208 -1.877 11.513 1.00 0.42 N ATOM 958 CA ALA A 59 -16.517 -1.239 11.428 1.00 0.43 C ATOM 959 C ALA A 59 -16.421 0.244 11.780 1.00 0.35 C ATOM 960 O ALA A 59 -17.182 1.057 11.264 1.00 0.36 O ATOM 961 CB ALA A 59 -17.513 -1.944 12.345 1.00 0.54 C ATOM 0 H ALA A 59 -15.177 -2.690 12.128 1.00 0.42 H new ATOM 0 HA ALA A 59 -16.872 -1.322 10.401 1.00 0.43 H new ATOM 0 HB1 ALA A 59 -18.485 -1.456 12.270 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -17.607 -2.988 12.046 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -17.159 -1.892 13.375 1.00 0.54 H new ATOM 967 N GLU A 60 -15.447 0.585 12.620 1.00 0.29 N ATOM 968 CA GLU A 60 -15.097 1.932 13.030 1.00 0.22 C ATOM 969 C GLU A 60 -14.434 2.739 11.905 1.00 0.22 C ATOM 970 O GLU A 60 -13.818 3.754 12.195 1.00 0.22 O ATOM 971 CB GLU A 60 -14.135 1.837 14.224 1.00 0.26 C ATOM 972 CG GLU A 60 -14.710 1.000 15.375 1.00 0.40 C ATOM 973 CD GLU A 60 -13.698 0.822 16.508 1.00 0.70 C ATOM 974 OE1 GLU A 60 -12.511 1.162 16.293 1.00 1.71 O ATOM 975 OE2 GLU A 60 -14.104 0.303 17.567 1.00 1.56 O ATOM 0 H GLU A 60 -14.849 -0.117 13.055 1.00 0.29 H new ATOM 0 HA GLU A 60 -16.015 2.454 13.298 1.00 0.22 H new ATOM 0 HB2 GLU A 60 -13.194 1.398 13.894 1.00 0.26 H new ATOM 0 HB3 GLU A 60 -13.909 2.840 14.586 1.00 0.26 H new ATOM 0 HG2 GLU A 60 -15.608 1.482 15.762 1.00 0.40 H new ATOM 0 HG3 GLU A 60 -15.010 0.022 14.999 1.00 0.40 H new ATOM 982 N TYR A 61 -14.576 2.358 10.632 1.00 0.26 N ATOM 983 CA TYR A 61 -14.113 3.133 9.480 1.00 0.32 C ATOM 984 C TYR A 61 -14.443 4.627 9.600 1.00 0.26 C ATOM 985 O TYR A 61 -13.548 5.460 9.468 1.00 0.24 O ATOM 986 CB TYR A 61 -14.640 2.496 8.174 1.00 0.56 C ATOM 987 CG TYR A 61 -15.215 3.423 7.108 1.00 0.62 C ATOM 988 CD1 TYR A 61 -16.533 3.231 6.652 1.00 1.93 C ATOM 989 CD2 TYR A 61 -14.457 4.488 6.584 1.00 1.58 C ATOM 990 CE1 TYR A 61 -17.109 4.114 5.723 1.00 1.99 C ATOM 991 CE2 TYR A 61 -15.023 5.376 5.654 1.00 1.62 C ATOM 992 CZ TYR A 61 -16.362 5.207 5.234 1.00 0.83 C ATOM 993 OH TYR A 61 -16.936 6.080 4.356 1.00 0.96 O ATOM 0 H TYR A 61 -15.027 1.482 10.369 1.00 0.26 H new ATOM 0 HA TYR A 61 -13.024 3.093 9.455 1.00 0.32 H new ATOM 0 HB2 TYR A 61 -13.822 1.934 7.723 1.00 0.56 H new ATOM 0 HB3 TYR A 61 -15.412 1.775 8.442 1.00 0.56 H new ATOM 0 HD1 TYR A 61 -17.108 2.395 7.021 1.00 1.93 H new ATOM 0 HD2 TYR A 61 -13.433 4.623 6.899 1.00 1.58 H new ATOM 0 HE1 TYR A 61 -18.122 3.956 5.384 1.00 1.99 H new ATOM 0 HE2 TYR A 61 -14.433 6.190 5.259 1.00 1.62 H new ATOM 0 HH TYR A 61 -16.606 6.986 4.533 1.00 0.96 H new ATOM 1003 N PRO A 62 -15.705 5.020 9.823 1.00 0.32 N ATOM 1004 CA PRO A 62 -16.037 6.429 9.885 1.00 0.37 C ATOM 1005 C PRO A 62 -15.606 7.050 11.220 1.00 0.37 C ATOM 1006 O PRO A 62 -15.644 8.266 11.365 1.00 0.47 O ATOM 1007 CB PRO A 62 -17.547 6.484 9.661 1.00 0.47 C ATOM 1008 CG PRO A 62 -18.049 5.157 10.228 1.00 0.48 C ATOM 1009 CD PRO A 62 -16.882 4.190 10.027 1.00 0.42 C ATOM 0 HA PRO A 62 -15.509 7.016 9.134 1.00 0.37 H new ATOM 0 HB2 PRO A 62 -17.997 7.334 10.174 1.00 0.47 H new ATOM 0 HB3 PRO A 62 -17.791 6.585 8.603 1.00 0.47 H new ATOM 0 HG2 PRO A 62 -18.311 5.249 11.282 1.00 0.48 H new ATOM 0 HG3 PRO A 62 -18.943 4.815 9.706 1.00 0.48 H new ATOM 0 HD2 PRO A 62 -16.757 3.543 10.895 1.00 0.42 H new ATOM 0 HD3 PRO A 62 -17.056 3.542 9.168 1.00 0.42 H new ATOM 1017 N PHE A 63 -15.188 6.232 12.189 1.00 0.30 N ATOM 1018 CA PHE A 63 -14.746 6.650 13.513 1.00 0.30 C ATOM 1019 C PHE A 63 -13.238 6.881 13.571 1.00 0.29 C ATOM 1020 O PHE A 63 -12.784 7.677 14.386 1.00 0.36 O ATOM 1021 CB PHE A 63 -15.127 5.578 14.545 1.00 0.31 C ATOM 1022 CG PHE A 63 -16.172 6.029 15.540 1.00 0.57 C ATOM 1023 CD1 PHE A 63 -15.821 6.953 16.540 1.00 2.27 C ATOM 1024 CD2 PHE A 63 -17.483 5.521 15.482 1.00 1.43 C ATOM 1025 CE1 PHE A 63 -16.775 7.362 17.486 1.00 2.56 C ATOM 1026 CE2 PHE A 63 -18.438 5.931 16.429 1.00 1.36 C ATOM 1027 CZ PHE A 63 -18.084 6.851 17.432 1.00 1.25 C ATOM 0 H PHE A 63 -15.148 5.221 12.063 1.00 0.30 H new ATOM 0 HA PHE A 63 -15.241 7.595 13.738 1.00 0.30 H new ATOM 0 HB2 PHE A 63 -15.496 4.697 14.020 1.00 0.31 H new ATOM 0 HB3 PHE A 63 -14.231 5.274 15.086 1.00 0.31 H new ATOM 0 HD1 PHE A 63 -14.817 7.349 16.581 1.00 2.27 H new ATOM 0 HD2 PHE A 63 -17.756 4.816 14.710 1.00 1.43 H new ATOM 0 HE1 PHE A 63 -16.503 8.069 18.255 1.00 2.56 H new ATOM 0 HE2 PHE A 63 -19.444 5.539 16.386 1.00 1.36 H new ATOM 0 HZ PHE A 63 -18.817 7.165 18.160 1.00 1.25 H new ATOM 1037 N LYS A 64 -12.443 6.148 12.786 1.00 0.24 N ATOM 1038 CA LYS A 64 -10.992 6.256 12.820 1.00 0.25 C ATOM 1039 C LYS A 64 -10.432 5.676 11.524 1.00 0.23 C ATOM 1040 O LYS A 64 -11.062 4.808 10.924 1.00 0.24 O ATOM 1041 CB LYS A 64 -10.442 5.530 14.061 1.00 0.31 C ATOM 1042 CG LYS A 64 -10.450 4.002 13.938 1.00 1.31 C ATOM 1043 CD LYS A 64 -10.146 3.372 15.300 1.00 1.50 C ATOM 1044 CE LYS A 64 -9.787 1.898 15.109 1.00 2.80 C ATOM 1045 NZ LYS A 64 -9.780 1.170 16.394 1.00 3.18 N ATOM 0 H LYS A 64 -12.792 5.466 12.112 1.00 0.24 H new ATOM 0 HA LYS A 64 -10.685 7.299 12.895 1.00 0.25 H new ATOM 0 HB2 LYS A 64 -9.421 5.865 14.244 1.00 0.31 H new ATOM 0 HB3 LYS A 64 -11.033 5.818 14.931 1.00 0.31 H new ATOM 0 HG2 LYS A 64 -11.421 3.662 13.578 1.00 1.31 H new ATOM 0 HG3 LYS A 64 -9.709 3.683 13.205 1.00 1.31 H new ATOM 0 HD2 LYS A 64 -9.322 3.899 15.781 1.00 1.50 H new ATOM 0 HD3 LYS A 64 -11.011 3.465 15.957 1.00 1.50 H new ATOM 0 HE2 LYS A 64 -10.503 1.433 14.431 1.00 2.80 H new ATOM 0 HE3 LYS A 64 -8.806 1.819 14.640 1.00 2.80 H new ATOM 0 HZ1 LYS A 64 -9.281 0.265 16.278 1.00 3.18 H new ATOM 0 HZ2 LYS A 64 -9.296 1.743 17.115 1.00 3.18 H new ATOM 0 HZ3 LYS A 64 -10.759 0.989 16.696 1.00 3.18 H new ATOM 1059 N PRO A 65 -9.255 6.118 11.071 1.00 0.27 N ATOM 1060 CA PRO A 65 -8.678 5.599 9.848 1.00 0.30 C ATOM 1061 C PRO A 65 -8.202 4.158 10.067 1.00 0.25 C ATOM 1062 O PRO A 65 -7.930 3.756 11.199 1.00 0.24 O ATOM 1063 CB PRO A 65 -7.530 6.552 9.523 1.00 0.37 C ATOM 1064 CG PRO A 65 -7.080 7.056 10.893 1.00 0.38 C ATOM 1065 CD PRO A 65 -8.372 7.075 11.711 1.00 0.32 C ATOM 0 HA PRO A 65 -9.387 5.554 9.021 1.00 0.30 H new ATOM 0 HB2 PRO A 65 -6.722 6.042 8.999 1.00 0.37 H new ATOM 0 HB3 PRO A 65 -7.858 7.371 8.883 1.00 0.37 H new ATOM 0 HG2 PRO A 65 -6.334 6.397 11.337 1.00 0.38 H new ATOM 0 HG3 PRO A 65 -6.632 8.047 10.828 1.00 0.38 H new ATOM 0 HD2 PRO A 65 -8.183 6.800 12.749 1.00 0.32 H new ATOM 0 HD3 PRO A 65 -8.815 8.071 11.721 1.00 0.32 H new ATOM 1073 N PRO A 66 -8.097 3.367 8.992 1.00 0.30 N ATOM 1074 CA PRO A 66 -7.598 2.008 9.057 1.00 0.33 C ATOM 1075 C PRO A 66 -6.087 2.008 9.235 1.00 0.34 C ATOM 1076 O PRO A 66 -5.435 3.054 9.235 1.00 0.35 O ATOM 1077 CB PRO A 66 -7.986 1.381 7.718 1.00 0.46 C ATOM 1078 CG PRO A 66 -7.972 2.560 6.755 1.00 0.54 C ATOM 1079 CD PRO A 66 -8.379 3.755 7.622 1.00 0.44 C ATOM 0 HA PRO A 66 -8.012 1.455 9.900 1.00 0.33 H new ATOM 0 HB2 PRO A 66 -7.278 0.608 7.417 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -8.969 0.912 7.764 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -6.985 2.704 6.316 1.00 0.54 H new ATOM 0 HG3 PRO A 66 -8.669 2.410 5.931 1.00 0.54 H new ATOM 0 HD2 PRO A 66 -7.818 4.647 7.345 1.00 0.44 H new ATOM 0 HD3 PRO A 66 -9.435 3.990 7.492 1.00 0.44 H new ATOM 1087 N LYS A 67 -5.515 0.810 9.311 1.00 0.34 N ATOM 1088 CA LYS A 67 -4.076 0.645 9.246 1.00 0.29 C ATOM 1089 C LYS A 67 -3.757 -0.270 8.081 1.00 0.27 C ATOM 1090 O LYS A 67 -4.611 -1.026 7.625 1.00 0.35 O ATOM 1091 CB LYS A 67 -3.530 0.102 10.575 1.00 0.41 C ATOM 1092 CG LYS A 67 -2.994 1.212 11.490 1.00 0.87 C ATOM 1093 CD LYS A 67 -1.753 1.902 10.896 1.00 0.96 C ATOM 1094 CE LYS A 67 -1.084 2.803 11.939 1.00 2.04 C ATOM 1095 NZ LYS A 67 -0.025 3.654 11.344 1.00 3.13 N ATOM 0 H LYS A 67 -6.034 -0.062 9.418 1.00 0.34 H new ATOM 0 HA LYS A 67 -3.590 1.607 9.085 1.00 0.29 H new ATOM 0 HB2 LYS A 67 -4.320 -0.441 11.093 1.00 0.41 H new ATOM 0 HB3 LYS A 67 -2.733 -0.613 10.371 1.00 0.41 H new ATOM 0 HG2 LYS A 67 -3.776 1.953 11.656 1.00 0.87 H new ATOM 0 HG3 LYS A 67 -2.743 0.790 12.463 1.00 0.87 H new ATOM 0 HD2 LYS A 67 -1.044 1.150 10.549 1.00 0.96 H new ATOM 0 HD3 LYS A 67 -2.041 2.494 10.027 1.00 0.96 H new ATOM 0 HE2 LYS A 67 -1.837 3.437 12.407 1.00 2.04 H new ATOM 0 HE3 LYS A 67 -0.652 2.186 12.727 1.00 2.04 H new ATOM 0 HZ1 LYS A 67 0.855 3.544 11.888 1.00 3.13 H new ATOM 0 HZ2 LYS A 67 0.139 3.366 10.358 1.00 3.13 H new ATOM 0 HZ3 LYS A 67 -0.325 4.649 11.368 1.00 3.13 H new ATOM 1109 N ILE A 68 -2.520 -0.181 7.607 1.00 0.25 N ATOM 1110 CA ILE A 68 -2.002 -1.006 6.536 1.00 0.23 C ATOM 1111 C ILE A 68 -0.715 -1.596 7.077 1.00 0.26 C ATOM 1112 O ILE A 68 -0.014 -0.950 7.862 1.00 0.32 O ATOM 1113 CB ILE A 68 -1.716 -0.184 5.261 1.00 0.17 C ATOM 1114 CG1 ILE A 68 -2.731 0.957 5.088 1.00 0.21 C ATOM 1115 CG2 ILE A 68 -1.651 -1.046 3.995 1.00 0.25 C ATOM 1116 CD1 ILE A 68 -2.329 1.843 3.921 1.00 0.24 C ATOM 0 H ILE A 68 -1.837 0.485 7.969 1.00 0.25 H new ATOM 0 HA ILE A 68 -2.725 -1.768 6.247 1.00 0.23 H new ATOM 0 HB ILE A 68 -0.726 0.250 5.400 1.00 0.17 H new ATOM 0 HG12 ILE A 68 -3.726 0.546 4.916 1.00 0.21 H new ATOM 0 HG13 ILE A 68 -2.784 1.548 6.002 1.00 0.21 H new ATOM 0 HG21 ILE A 68 -1.447 -0.411 3.133 1.00 0.25 H new ATOM 0 HG22 ILE A 68 -0.856 -1.784 4.098 1.00 0.25 H new ATOM 0 HG23 ILE A 68 -2.604 -1.556 3.853 1.00 0.25 H new ATOM 0 HD11 ILE A 68 -3.055 2.648 3.808 1.00 0.24 H new ATOM 0 HD12 ILE A 68 -1.343 2.268 4.109 1.00 0.24 H new ATOM 0 HD13 ILE A 68 -2.300 1.250 3.007 1.00 0.24 H new ATOM 1128 N THR A 69 -0.376 -2.806 6.660 1.00 0.25 N ATOM 1129 CA THR A 69 0.944 -3.335 6.930 1.00 0.26 C ATOM 1130 C THR A 69 1.338 -4.193 5.743 1.00 0.27 C ATOM 1131 O THR A 69 0.589 -5.078 5.322 1.00 0.29 O ATOM 1132 CB THR A 69 0.935 -4.135 8.239 1.00 0.26 C ATOM 1133 OG1 THR A 69 0.217 -3.454 9.245 1.00 0.28 O ATOM 1134 CG2 THR A 69 2.351 -4.364 8.759 1.00 0.39 C ATOM 0 H THR A 69 -0.991 -3.431 6.139 1.00 0.25 H new ATOM 0 HA THR A 69 1.673 -2.535 7.058 1.00 0.26 H new ATOM 0 HB THR A 69 0.460 -5.090 8.015 1.00 0.26 H new ATOM 0 HG1 THR A 69 0.225 -3.985 10.069 1.00 0.28 H new ATOM 0 HG21 THR A 69 2.310 -4.934 9.687 1.00 0.39 H new ATOM 0 HG22 THR A 69 2.925 -4.919 8.018 1.00 0.39 H new ATOM 0 HG23 THR A 69 2.831 -3.403 8.944 1.00 0.39 H new ATOM 1142 N PHE A 70 2.508 -3.910 5.183 1.00 0.26 N ATOM 1143 CA PHE A 70 3.080 -4.727 4.141 1.00 0.25 C ATOM 1144 C PHE A 70 3.463 -6.047 4.796 1.00 0.24 C ATOM 1145 O PHE A 70 4.148 -6.070 5.816 1.00 0.26 O ATOM 1146 CB PHE A 70 4.289 -4.022 3.508 1.00 0.23 C ATOM 1147 CG PHE A 70 3.962 -2.855 2.586 1.00 0.23 C ATOM 1148 CD1 PHE A 70 3.126 -1.797 3.005 1.00 0.20 C ATOM 1149 CD2 PHE A 70 4.497 -2.830 1.282 1.00 0.28 C ATOM 1150 CE1 PHE A 70 2.851 -0.724 2.144 1.00 0.20 C ATOM 1151 CE2 PHE A 70 4.222 -1.755 0.418 1.00 0.28 C ATOM 1152 CZ PHE A 70 3.409 -0.697 0.856 1.00 0.24 C ATOM 0 H PHE A 70 3.080 -3.107 5.444 1.00 0.26 H new ATOM 0 HA PHE A 70 2.375 -4.901 3.328 1.00 0.25 H new ATOM 0 HB2 PHE A 70 4.935 -3.660 4.308 1.00 0.23 H new ATOM 0 HB3 PHE A 70 4.862 -4.758 2.944 1.00 0.23 H new ATOM 0 HD1 PHE A 70 2.695 -1.814 3.995 1.00 0.20 H new ATOM 0 HD2 PHE A 70 5.123 -3.643 0.944 1.00 0.28 H new ATOM 0 HE1 PHE A 70 2.210 0.081 2.472 1.00 0.20 H new ATOM 0 HE2 PHE A 70 4.635 -1.743 -0.580 1.00 0.28 H new ATOM 0 HZ PHE A 70 3.213 0.139 0.201 1.00 0.24 H new ATOM 1162 N LYS A 71 2.961 -7.150 4.249 1.00 0.43 N ATOM 1163 CA LYS A 71 3.343 -8.484 4.673 1.00 0.51 C ATOM 1164 C LYS A 71 4.784 -8.735 4.253 1.00 0.55 C ATOM 1165 O LYS A 71 5.537 -9.387 4.971 1.00 0.65 O ATOM 1166 CB LYS A 71 2.408 -9.525 4.045 1.00 0.51 C ATOM 1167 CG LYS A 71 0.909 -9.230 4.207 1.00 0.57 C ATOM 1168 CD LYS A 71 0.388 -9.335 5.643 1.00 0.70 C ATOM 1169 CE LYS A 71 0.775 -8.128 6.507 1.00 0.90 C ATOM 1170 NZ LYS A 71 -0.184 -7.936 7.614 1.00 1.36 N ATOM 0 H LYS A 71 2.274 -7.138 3.495 1.00 0.43 H new ATOM 0 HA LYS A 71 3.261 -8.568 5.757 1.00 0.51 H new ATOM 0 HB2 LYS A 71 2.635 -9.602 2.982 1.00 0.51 H new ATOM 0 HB3 LYS A 71 2.622 -10.498 4.488 1.00 0.51 H new ATOM 0 HG2 LYS A 71 0.708 -8.226 3.834 1.00 0.57 H new ATOM 0 HG3 LYS A 71 0.347 -9.921 3.579 1.00 0.57 H new ATOM 0 HD2 LYS A 71 -0.698 -9.429 5.624 1.00 0.70 H new ATOM 0 HD3 LYS A 71 0.779 -10.244 6.101 1.00 0.70 H new ATOM 0 HE2 LYS A 71 1.777 -8.273 6.911 1.00 0.90 H new ATOM 0 HE3 LYS A 71 0.807 -7.230 5.890 1.00 0.90 H new ATOM 0 HZ1 LYS A 71 -0.599 -6.984 7.553 1.00 1.36 H new ATOM 0 HZ2 LYS A 71 -0.939 -8.648 7.547 1.00 1.36 H new ATOM 0 HZ3 LYS A 71 0.310 -8.040 8.523 1.00 1.36 H new ATOM 1184 N THR A 72 5.166 -8.251 3.071 1.00 0.52 N ATOM 1185 CA THR A 72 6.542 -8.333 2.631 1.00 0.55 C ATOM 1186 C THR A 72 7.333 -7.178 3.253 1.00 0.72 C ATOM 1187 O THR A 72 6.747 -6.250 3.807 1.00 1.07 O ATOM 1188 CB THR A 72 6.561 -8.321 1.099 1.00 0.47 C ATOM 1189 OG1 THR A 72 5.885 -7.184 0.589 1.00 0.46 O ATOM 1190 CG2 THR A 72 5.839 -9.568 0.572 1.00 0.39 C ATOM 0 H THR A 72 4.536 -7.800 2.408 1.00 0.52 H new ATOM 0 HA THR A 72 7.019 -9.257 2.958 1.00 0.55 H new ATOM 0 HB THR A 72 7.602 -8.301 0.777 1.00 0.47 H new ATOM 0 HG1 THR A 72 6.453 -6.734 -0.071 1.00 0.46 H new ATOM 0 HG21 THR A 72 5.851 -9.562 -0.518 1.00 0.39 H new ATOM 0 HG22 THR A 72 6.345 -10.462 0.936 1.00 0.39 H new ATOM 0 HG23 THR A 72 4.807 -9.567 0.923 1.00 0.39 H new ATOM 1198 N LYS A 73 8.665 -7.200 3.146 1.00 0.54 N ATOM 1199 CA LYS A 73 9.488 -6.067 3.564 1.00 0.67 C ATOM 1200 C LYS A 73 9.212 -4.876 2.647 1.00 0.83 C ATOM 1201 O LYS A 73 8.405 -4.984 1.720 1.00 1.53 O ATOM 1202 CB LYS A 73 10.986 -6.431 3.530 1.00 0.75 C ATOM 1203 CG LYS A 73 11.322 -7.755 4.226 1.00 0.81 C ATOM 1204 CD LYS A 73 11.031 -7.763 5.729 1.00 0.55 C ATOM 1205 CE LYS A 73 12.340 -7.634 6.515 1.00 1.21 C ATOM 1206 NZ LYS A 73 12.113 -7.728 7.972 1.00 2.04 N ATOM 0 H LYS A 73 9.193 -7.989 2.774 1.00 0.54 H new ATOM 0 HA LYS A 73 9.231 -5.805 4.590 1.00 0.67 H new ATOM 0 HB2 LYS A 73 11.313 -6.485 2.492 1.00 0.75 H new ATOM 0 HB3 LYS A 73 11.555 -5.630 4.002 1.00 0.75 H new ATOM 0 HG2 LYS A 73 10.754 -8.556 3.753 1.00 0.81 H new ATOM 0 HG3 LYS A 73 12.378 -7.977 4.070 1.00 0.81 H new ATOM 0 HD2 LYS A 73 10.362 -6.941 5.983 1.00 0.55 H new ATOM 0 HD3 LYS A 73 10.521 -8.686 6.004 1.00 0.55 H new ATOM 0 HE2 LYS A 73 13.031 -8.417 6.203 1.00 1.21 H new ATOM 0 HE3 LYS A 73 12.813 -6.680 6.281 1.00 1.21 H new ATOM 0 HZ1 LYS A 73 13.021 -7.636 8.471 1.00 2.04 H new ATOM 0 HZ2 LYS A 73 11.473 -6.965 8.274 1.00 2.04 H new ATOM 0 HZ3 LYS A 73 11.685 -8.648 8.198 1.00 2.04 H new ATOM 1220 N ILE A 74 9.913 -3.761 2.877 1.00 0.29 N ATOM 1221 CA ILE A 74 9.886 -2.574 2.039 1.00 0.23 C ATOM 1222 C ILE A 74 11.281 -1.953 1.953 1.00 0.26 C ATOM 1223 O ILE A 74 12.157 -2.295 2.742 1.00 0.54 O ATOM 1224 CB ILE A 74 8.852 -1.583 2.586 1.00 0.30 C ATOM 1225 CG1 ILE A 74 9.184 -1.068 3.994 1.00 0.38 C ATOM 1226 CG2 ILE A 74 7.491 -2.277 2.639 1.00 0.44 C ATOM 1227 CD1 ILE A 74 10.024 0.208 3.996 1.00 0.44 C ATOM 0 H ILE A 74 10.534 -3.664 3.681 1.00 0.29 H new ATOM 0 HA ILE A 74 9.590 -2.846 1.026 1.00 0.23 H new ATOM 0 HB ILE A 74 8.852 -0.723 1.917 1.00 0.30 H new ATOM 0 HG12 ILE A 74 8.255 -0.882 4.532 1.00 0.38 H new ATOM 0 HG13 ILE A 74 9.718 -1.846 4.540 1.00 0.38 H new ATOM 0 HG21 ILE A 74 6.744 -1.584 3.026 1.00 0.44 H new ATOM 0 HG22 ILE A 74 7.205 -2.595 1.636 1.00 0.44 H new ATOM 0 HG23 ILE A 74 7.552 -3.148 3.292 1.00 0.44 H new ATOM 0 HD11 ILE A 74 10.220 0.513 5.024 1.00 0.44 H new ATOM 0 HD12 ILE A 74 10.969 0.022 3.486 1.00 0.44 H new ATOM 0 HD13 ILE A 74 9.483 1.001 3.479 1.00 0.44 H new ATOM 1239 N TYR A 75 11.457 -1.003 1.027 1.00 0.24 N ATOM 1240 CA TYR A 75 12.647 -0.157 0.906 1.00 0.24 C ATOM 1241 C TYR A 75 12.260 1.286 0.557 1.00 0.38 C ATOM 1242 O TYR A 75 13.101 2.065 0.115 1.00 0.79 O ATOM 1243 CB TYR A 75 13.581 -0.728 -0.176 1.00 0.30 C ATOM 1244 CG TYR A 75 14.955 -1.113 0.320 1.00 0.71 C ATOM 1245 CD1 TYR A 75 16.020 -0.194 0.266 1.00 1.79 C ATOM 1246 CD2 TYR A 75 15.169 -2.413 0.806 1.00 2.14 C ATOM 1247 CE1 TYR A 75 17.314 -0.591 0.658 1.00 2.11 C ATOM 1248 CE2 TYR A 75 16.458 -2.822 1.182 1.00 2.57 C ATOM 1249 CZ TYR A 75 17.540 -1.920 1.091 1.00 1.94 C ATOM 1250 OH TYR A 75 18.792 -2.356 1.401 1.00 2.56 O ATOM 0 H TYR A 75 10.752 -0.797 0.320 1.00 0.24 H new ATOM 0 HA TYR A 75 13.165 -0.148 1.865 1.00 0.24 H new ATOM 0 HB2 TYR A 75 13.110 -1.606 -0.618 1.00 0.30 H new ATOM 0 HB3 TYR A 75 13.689 0.010 -0.971 1.00 0.30 H new ATOM 0 HD1 TYR A 75 15.845 0.815 -0.076 1.00 1.79 H new ATOM 0 HD2 TYR A 75 14.340 -3.100 0.891 1.00 2.14 H new ATOM 0 HE1 TYR A 75 18.130 0.116 0.628 1.00 2.11 H new ATOM 0 HE2 TYR A 75 16.622 -3.827 1.541 1.00 2.57 H new ATOM 0 HH TYR A 75 19.370 -2.278 0.613 1.00 2.56 H new ATOM 1260 N HIS A 76 10.986 1.659 0.711 1.00 0.26 N ATOM 1261 CA HIS A 76 10.523 2.995 0.361 1.00 0.31 C ATOM 1262 C HIS A 76 10.285 3.737 1.664 1.00 0.27 C ATOM 1263 O HIS A 76 9.669 3.170 2.558 1.00 0.29 O ATOM 1264 CB HIS A 76 9.206 2.939 -0.419 1.00 0.47 C ATOM 1265 CG HIS A 76 9.244 2.151 -1.703 1.00 0.51 C ATOM 1266 ND1 HIS A 76 9.127 0.776 -1.843 1.00 0.53 N ATOM 1267 CD2 HIS A 76 9.256 2.706 -2.950 1.00 1.07 C ATOM 1268 CE1 HIS A 76 9.114 0.505 -3.163 1.00 0.88 C ATOM 1269 NE2 HIS A 76 9.158 1.666 -3.849 1.00 1.26 N ATOM 0 H HIS A 76 10.257 1.047 1.078 1.00 0.26 H new ATOM 0 HA HIS A 76 11.266 3.489 -0.265 1.00 0.31 H new ATOM 0 HB2 HIS A 76 8.440 2.511 0.227 1.00 0.47 H new ATOM 0 HB3 HIS A 76 8.896 3.959 -0.648 1.00 0.47 H new ATOM 0 HD2 HIS A 76 9.328 3.757 -3.187 1.00 1.07 H new ATOM 0 HE1 HIS A 76 9.075 -0.482 -3.601 1.00 0.88 H new ATOM 0 HE2 HIS A 76 9.124 1.759 -4.864 1.00 1.26 H new ATOM 1278 N PRO A 77 10.674 5.006 1.775 1.00 0.24 N ATOM 1279 CA PRO A 77 10.604 5.741 3.028 1.00 0.19 C ATOM 1280 C PRO A 77 9.176 5.946 3.520 1.00 0.17 C ATOM 1281 O PRO A 77 8.957 6.227 4.693 1.00 0.16 O ATOM 1282 CB PRO A 77 11.280 7.071 2.718 1.00 0.21 C ATOM 1283 CG PRO A 77 11.029 7.263 1.224 1.00 0.25 C ATOM 1284 CD PRO A 77 11.174 5.840 0.699 1.00 0.27 C ATOM 0 HA PRO A 77 11.089 5.194 3.837 1.00 0.19 H new ATOM 0 HB2 PRO A 77 10.852 7.884 3.304 1.00 0.21 H new ATOM 0 HB3 PRO A 77 12.346 7.041 2.945 1.00 0.21 H new ATOM 0 HG2 PRO A 77 10.039 7.673 1.025 1.00 0.25 H new ATOM 0 HG3 PRO A 77 11.752 7.942 0.772 1.00 0.25 H new ATOM 0 HD2 PRO A 77 10.601 5.694 -0.216 1.00 0.27 H new ATOM 0 HD3 PRO A 77 12.213 5.607 0.465 1.00 0.27 H new ATOM 1292 N ASN A 78 8.196 5.860 2.623 1.00 0.18 N ATOM 1293 CA ASN A 78 6.796 6.056 2.957 1.00 0.19 C ATOM 1294 C ASN A 78 6.201 4.907 3.773 1.00 0.25 C ATOM 1295 O ASN A 78 5.076 5.036 4.255 1.00 0.38 O ATOM 1296 CB ASN A 78 6.019 6.292 1.658 1.00 0.25 C ATOM 1297 CG ASN A 78 6.184 7.745 1.245 1.00 1.18 C ATOM 1298 OD1 ASN A 78 6.932 8.077 0.334 1.00 1.22 O ATOM 1299 ND2 ASN A 78 5.519 8.645 1.951 1.00 3.02 N ATOM 0 H ASN A 78 8.357 5.651 1.638 1.00 0.18 H new ATOM 0 HA ASN A 78 6.715 6.928 3.606 1.00 0.19 H new ATOM 0 HB2 ASN A 78 6.388 5.632 0.873 1.00 0.25 H new ATOM 0 HB3 ASN A 78 4.964 6.058 1.802 1.00 0.25 H new ATOM 0 HD21 ASN A 78 5.624 9.638 1.741 1.00 3.02 H new ATOM 0 HD22 ASN A 78 4.901 8.346 2.706 1.00 3.02 H new ATOM 1306 N ILE A 79 6.925 3.795 3.930 1.00 0.20 N ATOM 1307 CA ILE A 79 6.516 2.649 4.725 1.00 0.24 C ATOM 1308 C ILE A 79 7.686 2.367 5.679 1.00 0.27 C ATOM 1309 O ILE A 79 8.793 2.865 5.480 1.00 0.28 O ATOM 1310 CB ILE A 79 6.169 1.459 3.798 1.00 0.26 C ATOM 1311 CG1 ILE A 79 5.298 1.849 2.585 1.00 0.40 C ATOM 1312 CG2 ILE A 79 5.464 0.315 4.553 1.00 0.27 C ATOM 1313 CD1 ILE A 79 5.826 1.184 1.311 1.00 0.82 C ATOM 0 H ILE A 79 7.838 3.670 3.492 1.00 0.20 H new ATOM 0 HA ILE A 79 5.611 2.830 5.305 1.00 0.24 H new ATOM 0 HB ILE A 79 7.137 1.120 3.430 1.00 0.26 H new ATOM 0 HG12 ILE A 79 4.265 1.547 2.759 1.00 0.40 H new ATOM 0 HG13 ILE A 79 5.297 2.932 2.464 1.00 0.40 H new ATOM 0 HG21 ILE A 79 5.242 -0.496 3.859 1.00 0.27 H new ATOM 0 HG22 ILE A 79 6.115 -0.054 5.345 1.00 0.27 H new ATOM 0 HG23 ILE A 79 4.536 0.684 4.989 1.00 0.27 H new ATOM 0 HD11 ILE A 79 5.200 1.470 0.465 1.00 0.82 H new ATOM 0 HD12 ILE A 79 6.851 1.508 1.130 1.00 0.82 H new ATOM 0 HD13 ILE A 79 5.803 0.101 1.430 1.00 0.82 H new ATOM 1325 N ASP A 80 7.442 1.612 6.743 1.00 0.31 N ATOM 1326 CA ASP A 80 8.402 1.279 7.782 1.00 0.30 C ATOM 1327 C ASP A 80 8.924 -0.129 7.532 1.00 0.27 C ATOM 1328 O ASP A 80 8.283 -0.918 6.845 1.00 0.31 O ATOM 1329 CB ASP A 80 7.661 1.293 9.117 1.00 0.42 C ATOM 1330 CG ASP A 80 8.532 0.881 10.295 1.00 0.46 C ATOM 1331 OD1 ASP A 80 9.720 1.263 10.299 1.00 1.21 O ATOM 1332 OD2 ASP A 80 8.003 0.130 11.148 1.00 1.35 O ATOM 0 H ASP A 80 6.525 1.197 6.911 1.00 0.31 H new ATOM 0 HA ASP A 80 9.230 1.987 7.787 1.00 0.30 H new ATOM 0 HB2 ASP A 80 7.270 2.294 9.297 1.00 0.42 H new ATOM 0 HB3 ASP A 80 6.804 0.622 9.056 1.00 0.42 H new ATOM 1337 N GLU A 81 10.048 -0.487 8.138 1.00 0.24 N ATOM 1338 CA GLU A 81 10.645 -1.808 8.018 1.00 0.25 C ATOM 1339 C GLU A 81 9.699 -2.918 8.483 1.00 0.30 C ATOM 1340 O GLU A 81 9.708 -4.014 7.921 1.00 0.39 O ATOM 1341 CB GLU A 81 11.944 -1.821 8.819 1.00 0.30 C ATOM 1342 CG GLU A 81 13.012 -1.035 8.043 1.00 0.88 C ATOM 1343 CD GLU A 81 14.198 -0.662 8.928 1.00 2.17 C ATOM 1344 OE1 GLU A 81 14.436 0.560 9.076 1.00 3.39 O ATOM 1345 OE2 GLU A 81 14.839 -1.602 9.445 1.00 2.70 O ATOM 0 H GLU A 81 10.579 0.145 8.737 1.00 0.24 H new ATOM 0 HA GLU A 81 10.850 -2.009 6.966 1.00 0.25 H new ATOM 0 HB2 GLU A 81 11.786 -1.375 9.801 1.00 0.30 H new ATOM 0 HB3 GLU A 81 12.275 -2.846 8.984 1.00 0.30 H new ATOM 0 HG2 GLU A 81 13.361 -1.632 7.200 1.00 0.88 H new ATOM 0 HG3 GLU A 81 12.568 -0.129 7.630 1.00 0.88 H new ATOM 1352 N LYS A 82 8.851 -2.647 9.479 1.00 0.30 N ATOM 1353 CA LYS A 82 7.802 -3.579 9.897 1.00 0.35 C ATOM 1354 C LYS A 82 6.575 -3.517 8.971 1.00 0.40 C ATOM 1355 O LYS A 82 5.482 -3.906 9.368 1.00 0.50 O ATOM 1356 CB LYS A 82 7.395 -3.241 11.339 1.00 0.35 C ATOM 1357 CG LYS A 82 8.288 -3.873 12.414 1.00 0.76 C ATOM 1358 CD LYS A 82 9.158 -2.859 13.166 1.00 1.30 C ATOM 1359 CE LYS A 82 9.332 -3.366 14.601 1.00 1.64 C ATOM 1360 NZ LYS A 82 10.217 -2.494 15.399 1.00 2.67 N ATOM 0 H LYS A 82 8.872 -1.780 10.015 1.00 0.30 H new ATOM 0 HA LYS A 82 8.194 -4.594 9.839 1.00 0.35 H new ATOM 0 HB2 LYS A 82 7.409 -2.158 11.463 1.00 0.35 H new ATOM 0 HB3 LYS A 82 6.367 -3.567 11.500 1.00 0.35 H new ATOM 0 HG2 LYS A 82 7.660 -4.402 13.131 1.00 0.76 H new ATOM 0 HG3 LYS A 82 8.934 -4.616 11.947 1.00 0.76 H new ATOM 0 HD2 LYS A 82 10.127 -2.751 12.679 1.00 1.30 H new ATOM 0 HD3 LYS A 82 8.688 -1.875 13.162 1.00 1.30 H new ATOM 0 HE2 LYS A 82 8.356 -3.429 15.083 1.00 1.64 H new ATOM 0 HE3 LYS A 82 9.743 -4.376 14.580 1.00 1.64 H new ATOM 0 HZ1 LYS A 82 10.305 -2.877 16.362 1.00 2.67 H new ATOM 0 HZ2 LYS A 82 11.157 -2.454 14.955 1.00 2.67 H new ATOM 0 HZ3 LYS A 82 9.814 -1.536 15.442 1.00 2.67 H new ATOM 1374 N GLY A 83 6.701 -2.988 7.756 1.00 0.33 N ATOM 1375 CA GLY A 83 5.595 -2.816 6.834 1.00 0.32 C ATOM 1376 C GLY A 83 4.587 -1.746 7.259 1.00 0.31 C ATOM 1377 O GLY A 83 3.640 -1.507 6.514 1.00 0.31 O ATOM 0 H GLY A 83 7.593 -2.663 7.384 1.00 0.33 H new ATOM 0 HA2 GLY A 83 5.991 -2.557 5.852 1.00 0.32 H new ATOM 0 HA3 GLY A 83 5.075 -3.768 6.726 1.00 0.32 H new ATOM 1381 N GLN A 84 4.735 -1.115 8.429 1.00 0.34 N ATOM 1382 CA GLN A 84 3.776 -0.133 8.917 1.00 0.35 C ATOM 1383 C GLN A 84 3.715 1.068 7.985 1.00 0.34 C ATOM 1384 O GLN A 84 4.687 1.389 7.317 1.00 0.37 O ATOM 1385 CB GLN A 84 4.175 0.392 10.297 1.00 0.33 C ATOM 1386 CG GLN A 84 4.142 -0.667 11.396 1.00 0.45 C ATOM 1387 CD GLN A 84 4.459 -0.012 12.735 1.00 0.81 C ATOM 1388 OE1 GLN A 84 3.570 0.200 13.552 1.00 1.04 O ATOM 1389 NE2 GLN A 84 5.709 0.366 12.968 1.00 1.41 N ATOM 0 H GLN A 84 5.522 -1.274 9.058 1.00 0.34 H new ATOM 0 HA GLN A 84 2.811 -0.637 8.967 1.00 0.35 H new ATOM 0 HB2 GLN A 84 5.180 0.810 10.239 1.00 0.33 H new ATOM 0 HB3 GLN A 84 3.506 1.207 10.572 1.00 0.33 H new ATOM 0 HG2 GLN A 84 3.160 -1.140 11.432 1.00 0.45 H new ATOM 0 HG3 GLN A 84 4.866 -1.453 11.182 1.00 0.45 H new ATOM 0 HE21 GLN A 84 6.435 0.181 12.276 1.00 1.41 H new ATOM 0 HE22 GLN A 84 5.944 0.842 13.839 1.00 1.41 H new ATOM 1398 N VAL A 85 2.608 1.801 7.999 1.00 0.31 N ATOM 1399 CA VAL A 85 2.457 2.958 7.135 1.00 0.29 C ATOM 1400 C VAL A 85 2.119 4.196 7.957 1.00 0.33 C ATOM 1401 O VAL A 85 1.494 4.099 9.020 1.00 0.35 O ATOM 1402 CB VAL A 85 1.372 2.669 6.101 1.00 0.26 C ATOM 1403 CG1 VAL A 85 1.775 1.515 5.180 1.00 0.20 C ATOM 1404 CG2 VAL A 85 0.038 2.375 6.784 1.00 0.33 C ATOM 0 H VAL A 85 1.805 1.613 8.599 1.00 0.31 H new ATOM 0 HA VAL A 85 3.396 3.155 6.617 1.00 0.29 H new ATOM 0 HB VAL A 85 1.253 3.561 5.485 1.00 0.26 H new ATOM 0 HG11 VAL A 85 0.981 1.334 4.455 1.00 0.20 H new ATOM 0 HG12 VAL A 85 2.695 1.773 4.655 1.00 0.20 H new ATOM 0 HG13 VAL A 85 1.936 0.615 5.774 1.00 0.20 H new ATOM 0 HG21 VAL A 85 -0.721 2.172 6.028 1.00 0.33 H new ATOM 0 HG22 VAL A 85 0.145 1.506 7.433 1.00 0.33 H new ATOM 0 HG23 VAL A 85 -0.264 3.237 7.379 1.00 0.33 H new ATOM 1414 N CYS A 86 2.508 5.363 7.435 1.00 0.34 N ATOM 1415 CA CYS A 86 2.087 6.652 7.947 1.00 0.33 C ATOM 1416 C CYS A 86 1.886 7.594 6.755 1.00 0.35 C ATOM 1417 O CYS A 86 2.798 8.331 6.390 1.00 0.43 O ATOM 1418 CB CYS A 86 3.125 7.181 8.944 1.00 0.38 C ATOM 1419 SG CYS A 86 2.312 8.255 10.154 1.00 0.64 S ATOM 0 H CYS A 86 3.134 5.430 6.632 1.00 0.34 H new ATOM 0 HA CYS A 86 1.145 6.573 8.489 1.00 0.33 H new ATOM 0 HB2 CYS A 86 3.614 6.349 9.451 1.00 0.38 H new ATOM 0 HB3 CYS A 86 3.902 7.734 8.416 1.00 0.38 H new ATOM 0 HG CYS A 86 3.193 8.701 11.000 1.00 0.64 H new ATOM 1425 N LEU A 87 0.718 7.542 6.105 1.00 0.31 N ATOM 1426 CA LEU A 87 0.378 8.412 4.988 1.00 0.32 C ATOM 1427 C LEU A 87 -0.798 9.291 5.390 1.00 0.31 C ATOM 1428 O LEU A 87 -1.645 8.853 6.168 1.00 0.29 O ATOM 1429 CB LEU A 87 -0.044 7.590 3.762 1.00 0.31 C ATOM 1430 CG LEU A 87 1.048 6.771 3.072 1.00 0.26 C ATOM 1431 CD1 LEU A 87 2.353 7.551 2.933 1.00 0.24 C ATOM 1432 CD2 LEU A 87 1.328 5.440 3.757 1.00 0.28 C ATOM 0 H LEU A 87 -0.023 6.884 6.348 1.00 0.31 H new ATOM 0 HA LEU A 87 1.254 9.010 4.738 1.00 0.32 H new ATOM 0 HB2 LEU A 87 -0.838 6.909 4.067 1.00 0.31 H new ATOM 0 HB3 LEU A 87 -0.473 8.271 3.027 1.00 0.31 H new ATOM 0 HG LEU A 87 0.650 6.560 2.079 1.00 0.26 H new ATOM 0 HD11 LEU A 87 3.098 6.928 2.437 1.00 0.24 H new ATOM 0 HD12 LEU A 87 2.179 8.449 2.341 1.00 0.24 H new ATOM 0 HD13 LEU A 87 2.715 7.833 3.922 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.112 4.910 3.216 1.00 0.28 H new ATOM 0 HD22 LEU A 87 1.652 5.619 4.782 1.00 0.28 H new ATOM 0 HD23 LEU A 87 0.421 4.836 3.763 1.00 0.28 H new ATOM 1444 N PRO A 88 -0.928 10.489 4.805 1.00 0.32 N ATOM 1445 CA PRO A 88 -2.004 11.410 5.128 1.00 0.32 C ATOM 1446 C PRO A 88 -3.385 10.889 4.718 1.00 0.34 C ATOM 1447 O PRO A 88 -4.392 11.429 5.154 1.00 0.52 O ATOM 1448 CB PRO A 88 -1.646 12.726 4.440 1.00 0.38 C ATOM 1449 CG PRO A 88 -0.772 12.288 3.268 1.00 0.36 C ATOM 1450 CD PRO A 88 -0.023 11.082 3.835 1.00 0.35 C ATOM 0 HA PRO A 88 -2.088 11.539 6.207 1.00 0.32 H new ATOM 0 HB2 PRO A 88 -2.536 13.257 4.101 1.00 0.38 H new ATOM 0 HB3 PRO A 88 -1.111 13.397 5.111 1.00 0.38 H new ATOM 0 HG2 PRO A 88 -1.369 12.020 2.396 1.00 0.36 H new ATOM 0 HG3 PRO A 88 -0.089 13.078 2.956 1.00 0.36 H new ATOM 0 HD2 PRO A 88 0.231 10.371 3.048 1.00 0.35 H new ATOM 0 HD3 PRO A 88 0.913 11.385 4.304 1.00 0.35 H new ATOM 1458 N VAL A 89 -3.473 9.824 3.921 1.00 0.37 N ATOM 1459 CA VAL A 89 -4.769 9.227 3.607 1.00 0.32 C ATOM 1460 C VAL A 89 -5.392 8.558 4.835 1.00 0.28 C ATOM 1461 O VAL A 89 -6.610 8.423 4.897 1.00 0.28 O ATOM 1462 CB VAL A 89 -4.665 8.262 2.409 1.00 0.29 C ATOM 1463 CG1 VAL A 89 -4.476 9.076 1.128 1.00 0.28 C ATOM 1464 CG2 VAL A 89 -3.499 7.277 2.560 1.00 0.29 C ATOM 0 H VAL A 89 -2.674 9.363 3.487 1.00 0.37 H new ATOM 0 HA VAL A 89 -5.442 10.032 3.312 1.00 0.32 H new ATOM 0 HB VAL A 89 -5.586 7.680 2.366 1.00 0.29 H new ATOM 0 HG11 VAL A 89 -4.401 8.401 0.276 1.00 0.28 H new ATOM 0 HG12 VAL A 89 -5.328 9.741 0.991 1.00 0.28 H new ATOM 0 HG13 VAL A 89 -3.563 9.667 1.204 1.00 0.28 H new ATOM 0 HG21 VAL A 89 -3.465 6.617 1.693 1.00 0.29 H new ATOM 0 HG22 VAL A 89 -2.562 7.830 2.632 1.00 0.29 H new ATOM 0 HG23 VAL A 89 -3.640 6.683 3.463 1.00 0.29 H new ATOM 1474 N ILE A 90 -4.567 8.117 5.789 1.00 0.27 N ATOM 1475 CA ILE A 90 -5.003 7.430 7.003 1.00 0.26 C ATOM 1476 C ILE A 90 -4.345 8.018 8.252 1.00 0.30 C ATOM 1477 O ILE A 90 -4.344 7.393 9.310 1.00 0.31 O ATOM 1478 CB ILE A 90 -4.721 5.927 6.856 1.00 0.25 C ATOM 1479 CG1 ILE A 90 -3.217 5.686 6.641 1.00 0.26 C ATOM 1480 CG2 ILE A 90 -5.555 5.405 5.678 1.00 0.21 C ATOM 1481 CD1 ILE A 90 -2.897 4.208 6.471 1.00 0.27 C ATOM 0 H ILE A 90 -3.555 8.232 5.735 1.00 0.27 H new ATOM 0 HA ILE A 90 -6.076 7.576 7.132 1.00 0.26 H new ATOM 0 HB ILE A 90 -5.001 5.389 7.762 1.00 0.25 H new ATOM 0 HG12 ILE A 90 -2.884 6.233 5.759 1.00 0.26 H new ATOM 0 HG13 ILE A 90 -2.661 6.082 7.491 1.00 0.26 H new ATOM 0 HG21 ILE A 90 -5.375 4.338 5.549 1.00 0.21 H new ATOM 0 HG22 ILE A 90 -6.613 5.573 5.879 1.00 0.21 H new ATOM 0 HG23 ILE A 90 -5.270 5.933 4.768 1.00 0.21 H new ATOM 0 HD11 ILE A 90 -1.825 4.083 6.322 1.00 0.27 H new ATOM 0 HD12 ILE A 90 -3.205 3.664 7.364 1.00 0.27 H new ATOM 0 HD13 ILE A 90 -3.432 3.817 5.605 1.00 0.27 H new ATOM 1493 N SER A 91 -3.754 9.205 8.139 1.00 0.37 N ATOM 1494 CA SER A 91 -3.115 9.851 9.275 1.00 0.46 C ATOM 1495 C SER A 91 -4.192 10.300 10.261 1.00 0.46 C ATOM 1496 O SER A 91 -5.313 10.592 9.857 1.00 0.47 O ATOM 1497 CB SER A 91 -2.312 11.029 8.735 1.00 0.56 C ATOM 1498 OG SER A 91 -1.935 11.949 9.736 1.00 0.67 O ATOM 0 H SER A 91 -3.706 9.737 7.270 1.00 0.37 H new ATOM 0 HA SER A 91 -2.445 9.175 9.806 1.00 0.46 H new ATOM 0 HB2 SER A 91 -1.417 10.654 8.240 1.00 0.56 H new ATOM 0 HB3 SER A 91 -2.902 11.546 7.978 1.00 0.56 H new ATOM 0 HG SER A 91 -1.952 12.857 9.369 1.00 0.67 H new ATOM 1504 N ALA A 92 -3.863 10.389 11.552 1.00 0.50 N ATOM 1505 CA ALA A 92 -4.818 10.812 12.570 1.00 0.55 C ATOM 1506 C ALA A 92 -5.272 12.249 12.313 1.00 0.57 C ATOM 1507 O ALA A 92 -6.467 12.522 12.241 1.00 0.57 O ATOM 1508 CB ALA A 92 -4.199 10.663 13.961 1.00 0.63 C ATOM 0 H ALA A 92 -2.935 10.171 11.915 1.00 0.50 H new ATOM 0 HA ALA A 92 -5.700 10.173 12.520 1.00 0.55 H new ATOM 0 HB1 ALA A 92 -4.919 10.981 14.715 1.00 0.63 H new ATOM 0 HB2 ALA A 92 -3.932 9.620 14.131 1.00 0.63 H new ATOM 0 HB3 ALA A 92 -3.304 11.282 14.029 1.00 0.63 H new ATOM 1514 N GLU A 93 -4.328 13.175 12.130 1.00 0.60 N ATOM 1515 CA GLU A 93 -4.650 14.575 11.848 1.00 0.64 C ATOM 1516 C GLU A 93 -5.304 14.742 10.476 1.00 0.68 C ATOM 1517 O GLU A 93 -5.805 15.813 10.132 1.00 0.86 O ATOM 1518 CB GLU A 93 -3.379 15.425 11.908 1.00 0.75 C ATOM 1519 CG GLU A 93 -2.805 15.465 13.326 1.00 1.15 C ATOM 1520 CD GLU A 93 -1.647 16.457 13.407 1.00 1.64 C ATOM 1521 OE1 GLU A 93 -0.654 16.228 12.681 1.00 2.59 O ATOM 1522 OE2 GLU A 93 -1.778 17.431 14.180 1.00 2.17 O ATOM 0 H GLU A 93 -3.328 12.978 12.173 1.00 0.60 H new ATOM 0 HA GLU A 93 -5.359 14.907 12.606 1.00 0.64 H new ATOM 0 HB2 GLU A 93 -2.635 15.019 11.223 1.00 0.75 H new ATOM 0 HB3 GLU A 93 -3.600 16.439 11.574 1.00 0.75 H new ATOM 0 HG2 GLU A 93 -3.585 15.749 14.032 1.00 1.15 H new ATOM 0 HG3 GLU A 93 -2.461 14.471 13.614 1.00 1.15 H new ATOM 1529 N ASN A 94 -5.294 13.696 9.651 1.00 0.62 N ATOM 1530 CA ASN A 94 -5.876 13.752 8.325 1.00 0.68 C ATOM 1531 C ASN A 94 -6.967 12.692 8.196 1.00 0.54 C ATOM 1532 O ASN A 94 -7.368 12.347 7.089 1.00 0.51 O ATOM 1533 CB ASN A 94 -4.783 13.570 7.277 1.00 0.88 C ATOM 1534 CG ASN A 94 -3.502 14.355 7.558 1.00 1.81 C ATOM 1535 OD1 ASN A 94 -2.405 13.811 7.485 1.00 3.70 O ATOM 1536 ND2 ASN A 94 -3.603 15.624 7.929 1.00 0.86 N ATOM 0 H ASN A 94 -4.883 12.793 9.888 1.00 0.62 H new ATOM 0 HA ASN A 94 -6.337 14.726 8.161 1.00 0.68 H new ATOM 0 HB2 ASN A 94 -4.537 12.510 7.206 1.00 0.88 H new ATOM 0 HB3 ASN A 94 -5.174 13.872 6.305 1.00 0.88 H new ATOM 0 HD21 ASN A 94 -2.764 16.157 8.157 1.00 0.86 H new ATOM 0 HD22 ASN A 94 -4.520 16.067 7.987 1.00 0.86 H new ATOM 1543 N TRP A 95 -7.479 12.210 9.329 1.00 0.50 N ATOM 1544 CA TRP A 95 -8.556 11.244 9.372 1.00 0.41 C ATOM 1545 C TRP A 95 -9.764 11.883 8.707 1.00 0.45 C ATOM 1546 O TRP A 95 -10.274 12.907 9.160 1.00 0.63 O ATOM 1547 CB TRP A 95 -8.842 10.859 10.827 1.00 0.38 C ATOM 1548 CG TRP A 95 -10.196 10.284 11.122 1.00 0.35 C ATOM 1549 CD1 TRP A 95 -10.865 9.346 10.410 1.00 0.29 C ATOM 1550 CD2 TRP A 95 -11.086 10.667 12.211 1.00 0.44 C ATOM 1551 NE1 TRP A 95 -12.118 9.153 10.964 1.00 0.33 N ATOM 1552 CE2 TRP A 95 -12.319 9.975 12.055 1.00 0.40 C ATOM 1553 CE3 TRP A 95 -10.972 11.550 13.306 1.00 0.61 C ATOM 1554 CZ2 TRP A 95 -13.405 10.190 12.919 1.00 0.49 C ATOM 1555 CZ3 TRP A 95 -12.042 11.743 14.200 1.00 0.69 C ATOM 1556 CH2 TRP A 95 -13.259 11.070 14.003 1.00 0.62 C ATOM 0 H TRP A 95 -7.146 12.489 10.252 1.00 0.50 H new ATOM 0 HA TRP A 95 -8.296 10.327 8.843 1.00 0.41 H new ATOM 0 HB2 TRP A 95 -8.090 10.135 11.141 1.00 0.38 H new ATOM 0 HB3 TRP A 95 -8.708 11.746 11.446 1.00 0.38 H new ATOM 0 HD1 TRP A 95 -10.480 8.829 9.544 1.00 0.29 H new ATOM 0 HE1 TRP A 95 -12.806 8.488 10.611 1.00 0.33 H new ATOM 0 HE3 TRP A 95 -10.048 12.087 13.461 1.00 0.61 H new ATOM 0 HZ2 TRP A 95 -14.344 9.683 12.751 1.00 0.49 H new ATOM 0 HZ3 TRP A 95 -11.927 12.411 15.041 1.00 0.69 H new ATOM 0 HH2 TRP A 95 -14.081 11.229 14.685 1.00 0.62 H new ATOM 1567 N LYS A 96 -10.202 11.291 7.599 1.00 0.41 N ATOM 1568 CA LYS A 96 -11.340 11.754 6.832 1.00 0.46 C ATOM 1569 C LYS A 96 -12.249 10.545 6.716 1.00 0.39 C ATOM 1570 O LYS A 96 -11.855 9.575 6.080 1.00 0.40 O ATOM 1571 CB LYS A 96 -10.868 12.245 5.449 1.00 0.60 C ATOM 1572 CG LYS A 96 -10.788 13.773 5.318 1.00 0.72 C ATOM 1573 CD LYS A 96 -10.099 14.435 6.514 1.00 0.89 C ATOM 1574 CE LYS A 96 -9.413 15.745 6.138 1.00 1.38 C ATOM 1575 NZ LYS A 96 -8.914 16.442 7.345 1.00 2.61 N ATOM 0 H LYS A 96 -9.762 10.459 7.206 1.00 0.41 H new ATOM 0 HA LYS A 96 -11.858 12.592 7.298 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -9.885 11.822 5.241 1.00 0.60 H new ATOM 0 HB3 LYS A 96 -11.548 11.861 4.688 1.00 0.60 H new ATOM 0 HG2 LYS A 96 -10.247 14.027 4.406 1.00 0.72 H new ATOM 0 HG3 LYS A 96 -11.795 14.178 5.215 1.00 0.72 H new ATOM 0 HD2 LYS A 96 -10.835 14.625 7.295 1.00 0.89 H new ATOM 0 HD3 LYS A 96 -9.362 13.749 6.931 1.00 0.89 H new ATOM 0 HE2 LYS A 96 -8.584 15.545 5.459 1.00 1.38 H new ATOM 0 HE3 LYS A 96 -10.114 16.388 5.605 1.00 1.38 H new ATOM 0 HZ1 LYS A 96 -8.451 17.331 7.066 1.00 2.61 H new ATOM 0 HZ2 LYS A 96 -9.711 16.651 7.980 1.00 2.61 H new ATOM 0 HZ3 LYS A 96 -8.229 15.835 7.838 1.00 2.61 H new ATOM 1589 N PRO A 97 -13.463 10.576 7.275 1.00 0.38 N ATOM 1590 CA PRO A 97 -14.410 9.484 7.119 1.00 0.37 C ATOM 1591 C PRO A 97 -14.929 9.391 5.678 1.00 0.46 C ATOM 1592 O PRO A 97 -15.553 8.402 5.305 1.00 0.60 O ATOM 1593 CB PRO A 97 -15.511 9.768 8.141 1.00 0.41 C ATOM 1594 CG PRO A 97 -15.484 11.288 8.292 1.00 0.46 C ATOM 1595 CD PRO A 97 -14.006 11.633 8.110 1.00 0.42 C ATOM 0 HA PRO A 97 -13.957 8.509 7.301 1.00 0.37 H new ATOM 0 HB2 PRO A 97 -16.482 9.418 7.791 1.00 0.41 H new ATOM 0 HB3 PRO A 97 -15.315 9.268 9.090 1.00 0.41 H new ATOM 0 HG2 PRO A 97 -16.107 11.778 7.543 1.00 0.46 H new ATOM 0 HG3 PRO A 97 -15.853 11.602 9.268 1.00 0.46 H new ATOM 0 HD2 PRO A 97 -13.885 12.608 7.638 1.00 0.42 H new ATOM 0 HD3 PRO A 97 -13.492 11.678 9.070 1.00 0.42 H new ATOM 1603 N ALA A 98 -14.665 10.402 4.848 1.00 0.54 N ATOM 1604 CA ALA A 98 -14.923 10.335 3.422 1.00 0.62 C ATOM 1605 C ALA A 98 -13.876 9.490 2.684 1.00 0.61 C ATOM 1606 O ALA A 98 -14.140 9.040 1.573 1.00 0.70 O ATOM 1607 CB ALA A 98 -14.934 11.757 2.863 1.00 0.74 C ATOM 0 H ALA A 98 -14.265 11.289 5.154 1.00 0.54 H new ATOM 0 HA ALA A 98 -15.888 9.853 3.268 1.00 0.62 H new ATOM 0 HB1 ALA A 98 -15.127 11.725 1.791 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -15.716 12.335 3.355 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -13.967 12.227 3.044 1.00 0.74 H new ATOM 1613 N THR A 99 -12.677 9.316 3.250 1.00 0.57 N ATOM 1614 CA THR A 99 -11.632 8.544 2.595 1.00 0.58 C ATOM 1615 C THR A 99 -12.025 7.074 2.580 1.00 0.59 C ATOM 1616 O THR A 99 -12.797 6.615 3.426 1.00 0.73 O ATOM 1617 CB THR A 99 -10.271 8.756 3.278 1.00 0.59 C ATOM 1618 OG1 THR A 99 -9.262 8.654 2.301 1.00 0.62 O ATOM 1619 CG2 THR A 99 -9.941 7.726 4.362 1.00 0.57 C ATOM 0 H THR A 99 -12.413 9.700 4.157 1.00 0.57 H new ATOM 0 HA THR A 99 -11.526 8.890 1.567 1.00 0.58 H new ATOM 0 HB THR A 99 -10.323 9.735 3.755 1.00 0.59 H new ATOM 0 HG1 THR A 99 -8.386 8.789 2.720 1.00 0.62 H new ATOM 0 HG21 THR A 99 -8.964 7.950 4.791 1.00 0.57 H new ATOM 0 HG22 THR A 99 -10.699 7.766 5.144 1.00 0.57 H new ATOM 0 HG23 THR A 99 -9.924 6.728 3.923 1.00 0.57 H new ATOM 1627 N LYS A 100 -11.464 6.316 1.643 1.00 0.50 N ATOM 1628 CA LYS A 100 -11.755 4.902 1.519 1.00 0.45 C ATOM 1629 C LYS A 100 -10.526 4.173 1.012 1.00 0.35 C ATOM 1630 O LYS A 100 -9.505 4.773 0.691 1.00 0.32 O ATOM 1631 CB LYS A 100 -12.919 4.683 0.543 1.00 0.50 C ATOM 1632 CG LYS A 100 -14.296 5.062 1.098 1.00 1.52 C ATOM 1633 CD LYS A 100 -14.825 4.088 2.161 1.00 3.17 C ATOM 1634 CE LYS A 100 -15.678 2.949 1.582 1.00 3.89 C ATOM 1635 NZ LYS A 100 -14.896 1.879 0.930 1.00 5.38 N ATOM 0 H LYS A 100 -10.799 6.667 0.954 1.00 0.50 H new ATOM 0 HA LYS A 100 -12.035 4.512 2.498 1.00 0.45 H new ATOM 0 HB2 LYS A 100 -12.733 5.264 -0.360 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -12.937 3.634 0.249 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -14.241 6.061 1.530 1.00 1.52 H new ATOM 0 HG3 LYS A 100 -15.009 5.109 0.275 1.00 1.52 H new ATOM 0 HD2 LYS A 100 -13.981 3.660 2.701 1.00 3.17 H new ATOM 0 HD3 LYS A 100 -15.420 4.643 2.887 1.00 3.17 H new ATOM 0 HE2 LYS A 100 -16.273 2.512 2.384 1.00 3.89 H new ATOM 0 HE3 LYS A 100 -16.377 3.366 0.857 1.00 3.89 H new ATOM 0 HZ1 LYS A 100 -15.515 1.067 0.733 1.00 5.38 H new ATOM 0 HZ2 LYS A 100 -14.497 2.235 0.038 1.00 5.38 H new ATOM 0 HZ3 LYS A 100 -14.124 1.580 1.560 1.00 5.38 H new ATOM 1649 N THR A 101 -10.662 2.858 0.922 1.00 0.33 N ATOM 1650 CA THR A 101 -9.673 1.934 0.423 1.00 0.25 C ATOM 1651 C THR A 101 -9.133 2.302 -0.945 1.00 0.25 C ATOM 1652 O THR A 101 -7.974 1.997 -1.195 1.00 0.31 O ATOM 1653 CB THR A 101 -10.288 0.543 0.356 1.00 0.30 C ATOM 1654 OG1 THR A 101 -11.692 0.653 0.150 1.00 0.53 O ATOM 1655 CG2 THR A 101 -10.008 -0.233 1.642 1.00 0.33 C ATOM 0 H THR A 101 -11.518 2.387 1.214 1.00 0.33 H new ATOM 0 HA THR A 101 -8.830 1.969 1.113 1.00 0.25 H new ATOM 0 HB THR A 101 -9.840 0.000 -0.476 1.00 0.30 H new ATOM 0 HG1 THR A 101 -12.058 -0.225 -0.086 1.00 0.53 H new ATOM 0 HG21 THR A 101 -10.456 -1.224 1.574 1.00 0.33 H new ATOM 0 HG22 THR A 101 -8.931 -0.330 1.781 1.00 0.33 H new ATOM 0 HG23 THR A 101 -10.437 0.301 2.490 1.00 0.33 H new ATOM 1663 N ASP A 102 -9.922 2.918 -1.832 1.00 0.24 N ATOM 1664 CA ASP A 102 -9.346 3.401 -3.081 1.00 0.31 C ATOM 1665 C ASP A 102 -8.242 4.388 -2.728 1.00 0.33 C ATOM 1666 O ASP A 102 -7.090 4.137 -3.039 1.00 0.57 O ATOM 1667 CB ASP A 102 -10.406 3.936 -4.059 1.00 0.41 C ATOM 1668 CG ASP A 102 -10.503 5.459 -4.053 1.00 0.92 C ATOM 1669 OD1 ASP A 102 -9.902 6.074 -4.962 1.00 2.38 O ATOM 1670 OD2 ASP A 102 -11.093 5.974 -3.078 1.00 1.86 O ATOM 0 H ASP A 102 -10.921 3.087 -1.713 1.00 0.24 H new ATOM 0 HA ASP A 102 -8.902 2.578 -3.641 1.00 0.31 H new ATOM 0 HB2 ASP A 102 -10.168 3.596 -5.067 1.00 0.41 H new ATOM 0 HB3 ASP A 102 -11.377 3.514 -3.801 1.00 0.41 H new ATOM 1675 N GLN A 103 -8.545 5.433 -1.966 1.00 0.22 N ATOM 1676 CA GLN A 103 -7.561 6.431 -1.577 1.00 0.27 C ATOM 1677 C GLN A 103 -6.387 5.801 -0.845 1.00 0.28 C ATOM 1678 O GLN A 103 -5.262 6.284 -0.969 1.00 0.33 O ATOM 1679 CB GLN A 103 -8.207 7.561 -0.768 1.00 0.31 C ATOM 1680 CG GLN A 103 -9.531 7.994 -1.414 1.00 0.29 C ATOM 1681 CD GLN A 103 -10.029 9.364 -0.977 1.00 0.35 C ATOM 1682 OE1 GLN A 103 -9.268 10.256 -0.619 1.00 1.20 O ATOM 1683 NE2 GLN A 103 -11.343 9.555 -1.009 1.00 1.33 N ATOM 0 H GLN A 103 -9.481 5.610 -1.601 1.00 0.22 H new ATOM 0 HA GLN A 103 -7.161 6.877 -2.488 1.00 0.27 H new ATOM 0 HB2 GLN A 103 -8.386 7.228 0.254 1.00 0.31 H new ATOM 0 HB3 GLN A 103 -7.527 8.411 -0.712 1.00 0.31 H new ATOM 0 HG2 GLN A 103 -9.409 7.994 -2.497 1.00 0.29 H new ATOM 0 HG3 GLN A 103 -10.295 7.252 -1.180 1.00 0.29 H new ATOM 0 HE21 GLN A 103 -11.961 8.801 -1.310 1.00 1.33 H new ATOM 0 HE22 GLN A 103 -11.734 10.456 -0.733 1.00 1.33 H new ATOM 1692 N VAL A 104 -6.615 4.714 -0.105 1.00 0.26 N ATOM 1693 CA VAL A 104 -5.529 4.082 0.611 1.00 0.26 C ATOM 1694 C VAL A 104 -4.569 3.408 -0.372 1.00 0.27 C ATOM 1695 O VAL A 104 -3.377 3.707 -0.377 1.00 0.29 O ATOM 1696 CB VAL A 104 -6.104 3.126 1.660 1.00 0.24 C ATOM 1697 CG1 VAL A 104 -4.970 2.363 2.322 1.00 0.23 C ATOM 1698 CG2 VAL A 104 -6.838 3.925 2.740 1.00 0.24 C ATOM 0 H VAL A 104 -7.525 4.268 0.007 1.00 0.26 H new ATOM 0 HA VAL A 104 -4.938 4.825 1.147 1.00 0.26 H new ATOM 0 HB VAL A 104 -6.792 2.437 1.171 1.00 0.24 H new ATOM 0 HG11 VAL A 104 -5.377 1.682 3.069 1.00 0.23 H new ATOM 0 HG12 VAL A 104 -4.427 1.793 1.569 1.00 0.23 H new ATOM 0 HG13 VAL A 104 -4.291 3.066 2.804 1.00 0.23 H new ATOM 0 HG21 VAL A 104 -7.246 3.241 3.485 1.00 0.24 H new ATOM 0 HG22 VAL A 104 -6.142 4.612 3.221 1.00 0.24 H new ATOM 0 HG23 VAL A 104 -7.650 4.492 2.285 1.00 0.24 H new ATOM 1708 N ILE A 105 -5.080 2.500 -1.198 1.00 0.28 N ATOM 1709 CA ILE A 105 -4.304 1.709 -2.146 1.00 0.28 C ATOM 1710 C ILE A 105 -3.600 2.642 -3.117 1.00 0.25 C ATOM 1711 O ILE A 105 -2.390 2.547 -3.302 1.00 0.23 O ATOM 1712 CB ILE A 105 -5.240 0.703 -2.845 1.00 0.28 C ATOM 1713 CG1 ILE A 105 -5.495 -0.516 -1.940 1.00 0.34 C ATOM 1714 CG2 ILE A 105 -4.728 0.224 -4.208 1.00 0.23 C ATOM 1715 CD1 ILE A 105 -4.219 -1.262 -1.521 1.00 0.38 C ATOM 0 H ILE A 105 -6.077 2.288 -1.226 1.00 0.28 H new ATOM 0 HA ILE A 105 -3.530 1.132 -1.640 1.00 0.28 H new ATOM 0 HB ILE A 105 -6.169 1.244 -3.027 1.00 0.28 H new ATOM 0 HG12 ILE A 105 -6.021 -0.187 -1.044 1.00 0.34 H new ATOM 0 HG13 ILE A 105 -6.155 -1.210 -2.460 1.00 0.34 H new ATOM 0 HG21 ILE A 105 -5.440 -0.481 -4.637 1.00 0.23 H new ATOM 0 HG22 ILE A 105 -4.616 1.078 -4.875 1.00 0.23 H new ATOM 0 HG23 ILE A 105 -3.763 -0.267 -4.082 1.00 0.23 H new ATOM 0 HD11 ILE A 105 -4.484 -2.107 -0.885 1.00 0.38 H new ATOM 0 HD12 ILE A 105 -3.701 -1.624 -2.409 1.00 0.38 H new ATOM 0 HD13 ILE A 105 -3.566 -0.585 -0.971 1.00 0.38 H new ATOM 1727 N GLN A 106 -4.370 3.553 -3.705 1.00 0.25 N ATOM 1728 CA GLN A 106 -3.921 4.619 -4.579 1.00 0.18 C ATOM 1729 C GLN A 106 -2.730 5.328 -3.944 1.00 0.19 C ATOM 1730 O GLN A 106 -1.738 5.548 -4.624 1.00 0.30 O ATOM 1731 CB GLN A 106 -5.082 5.591 -4.826 1.00 0.53 C ATOM 1732 CG GLN A 106 -6.251 4.973 -5.608 1.00 2.32 C ATOM 1733 CD GLN A 106 -6.048 5.022 -7.115 1.00 4.22 C ATOM 1734 OE1 GLN A 106 -5.084 4.481 -7.643 1.00 5.02 O ATOM 1735 NE2 GLN A 106 -6.966 5.657 -7.831 1.00 5.60 N ATOM 0 H GLN A 106 -5.381 3.563 -3.573 1.00 0.25 H new ATOM 0 HA GLN A 106 -3.602 4.213 -5.539 1.00 0.18 H new ATOM 0 HB2 GLN A 106 -5.450 5.954 -3.866 1.00 0.53 H new ATOM 0 HB3 GLN A 106 -4.709 6.457 -5.373 1.00 0.53 H new ATOM 0 HG2 GLN A 106 -6.381 3.936 -5.298 1.00 2.32 H new ATOM 0 HG3 GLN A 106 -7.171 5.500 -5.353 1.00 2.32 H new ATOM 0 HE21 GLN A 106 -7.759 6.099 -7.366 1.00 5.60 H new ATOM 0 HE22 GLN A 106 -6.879 5.703 -8.846 1.00 5.60 H new ATOM 1744 N SER A 107 -2.796 5.656 -2.649 1.00 0.15 N ATOM 1745 CA SER A 107 -1.655 6.174 -1.912 1.00 0.21 C ATOM 1746 C SER A 107 -0.476 5.214 -1.957 1.00 0.24 C ATOM 1747 O SER A 107 0.569 5.620 -2.445 1.00 0.35 O ATOM 1748 CB SER A 107 -2.013 6.517 -0.466 1.00 0.24 C ATOM 1749 OG SER A 107 -1.957 7.915 -0.284 1.00 0.68 O ATOM 0 H SER A 107 -3.644 5.567 -2.089 1.00 0.15 H new ATOM 0 HA SER A 107 -1.359 7.099 -2.408 1.00 0.21 H new ATOM 0 HB2 SER A 107 -3.012 6.149 -0.231 1.00 0.24 H new ATOM 0 HB3 SER A 107 -1.322 6.023 0.217 1.00 0.24 H new ATOM 0 HG SER A 107 -1.711 8.115 0.643 1.00 0.68 H new ATOM 1755 N LEU A 108 -0.573 3.976 -1.451 1.00 0.19 N ATOM 1756 CA LEU A 108 0.615 3.124 -1.396 1.00 0.20 C ATOM 1757 C LEU A 108 1.289 3.066 -2.747 1.00 0.23 C ATOM 1758 O LEU A 108 2.492 3.239 -2.819 1.00 0.22 O ATOM 1759 CB LEU A 108 0.326 1.676 -0.998 1.00 0.19 C ATOM 1760 CG LEU A 108 0.009 1.413 0.477 1.00 0.23 C ATOM 1761 CD1 LEU A 108 0.553 2.474 1.430 1.00 0.16 C ATOM 1762 CD2 LEU A 108 -1.481 1.219 0.692 1.00 0.35 C ATOM 0 H LEU A 108 -1.429 3.557 -1.087 1.00 0.19 H new ATOM 0 HA LEU A 108 1.245 3.582 -0.633 1.00 0.20 H new ATOM 0 HB2 LEU A 108 -0.515 1.322 -1.594 1.00 0.19 H new ATOM 0 HB3 LEU A 108 1.189 1.070 -1.273 1.00 0.19 H new ATOM 0 HG LEU A 108 0.532 0.489 0.724 1.00 0.23 H new ATOM 0 HD11 LEU A 108 0.286 2.214 2.454 1.00 0.16 H new ATOM 0 HD12 LEU A 108 1.638 2.523 1.339 1.00 0.16 H new ATOM 0 HD13 LEU A 108 0.124 3.444 1.178 1.00 0.16 H new ATOM 0 HD21 LEU A 108 -1.675 1.034 1.749 1.00 0.35 H new ATOM 0 HD22 LEU A 108 -2.014 2.116 0.377 1.00 0.35 H new ATOM 0 HD23 LEU A 108 -1.825 0.367 0.105 1.00 0.35 H new ATOM 1774 N ILE A 109 0.532 2.831 -3.811 1.00 0.26 N ATOM 1775 CA ILE A 109 1.061 2.809 -5.160 1.00 0.24 C ATOM 1776 C ILE A 109 1.743 4.134 -5.450 1.00 0.25 C ATOM 1777 O ILE A 109 2.885 4.143 -5.884 1.00 0.29 O ATOM 1778 CB ILE A 109 -0.088 2.526 -6.129 1.00 0.21 C ATOM 1779 CG1 ILE A 109 -0.511 1.069 -5.916 1.00 0.20 C ATOM 1780 CG2 ILE A 109 0.304 2.717 -7.600 1.00 0.19 C ATOM 1781 CD1 ILE A 109 -1.989 0.878 -6.235 1.00 0.20 C ATOM 0 H ILE A 109 -0.470 2.650 -3.758 1.00 0.26 H new ATOM 0 HA ILE A 109 1.807 2.023 -5.279 1.00 0.24 H new ATOM 0 HB ILE A 109 -0.892 3.232 -5.924 1.00 0.21 H new ATOM 0 HG12 ILE A 109 0.089 0.416 -6.550 1.00 0.20 H new ATOM 0 HG13 ILE A 109 -0.317 0.777 -4.884 1.00 0.20 H new ATOM 0 HG21 ILE A 109 -0.554 2.501 -8.236 1.00 0.19 H new ATOM 0 HG22 ILE A 109 0.625 3.746 -7.760 1.00 0.19 H new ATOM 0 HG23 ILE A 109 1.121 2.040 -7.850 1.00 0.19 H new ATOM 0 HD11 ILE A 109 -2.264 -0.165 -6.076 1.00 0.20 H new ATOM 0 HD12 ILE A 109 -2.587 1.515 -5.583 1.00 0.20 H new ATOM 0 HD13 ILE A 109 -2.175 1.147 -7.275 1.00 0.20 H new ATOM 1793 N ALA A 110 1.051 5.245 -5.231 1.00 0.25 N ATOM 1794 CA ALA A 110 1.511 6.582 -5.559 1.00 0.28 C ATOM 1795 C ALA A 110 2.834 6.907 -4.869 1.00 0.21 C ATOM 1796 O ALA A 110 3.650 7.610 -5.444 1.00 0.21 O ATOM 1797 CB ALA A 110 0.418 7.595 -5.198 1.00 0.34 C ATOM 0 H ALA A 110 0.124 5.236 -4.806 1.00 0.25 H new ATOM 0 HA ALA A 110 1.703 6.638 -6.631 1.00 0.28 H new ATOM 0 HB1 ALA A 110 0.759 8.601 -5.443 1.00 0.34 H new ATOM 0 HB2 ALA A 110 -0.487 7.371 -5.763 1.00 0.34 H new ATOM 0 HB3 ALA A 110 0.204 7.534 -4.131 1.00 0.34 H new ATOM 1803 N LEU A 111 3.058 6.392 -3.660 1.00 0.20 N ATOM 1804 CA LEU A 111 4.247 6.618 -2.849 1.00 0.20 C ATOM 1805 C LEU A 111 5.351 5.610 -3.182 1.00 0.23 C ATOM 1806 O LEU A 111 6.536 5.915 -3.137 1.00 0.34 O ATOM 1807 CB LEU A 111 3.853 6.480 -1.368 1.00 0.22 C ATOM 1808 CG LEU A 111 3.191 7.712 -0.712 1.00 0.28 C ATOM 1809 CD1 LEU A 111 3.414 9.033 -1.446 1.00 0.53 C ATOM 1810 CD2 LEU A 111 1.690 7.537 -0.497 1.00 0.50 C ATOM 0 H LEU A 111 2.384 5.779 -3.202 1.00 0.20 H new ATOM 0 HA LEU A 111 4.635 7.615 -3.057 1.00 0.20 H new ATOM 0 HB2 LEU A 111 3.170 5.636 -1.274 1.00 0.22 H new ATOM 0 HB3 LEU A 111 4.748 6.231 -0.799 1.00 0.22 H new ATOM 0 HG LEU A 111 3.704 7.772 0.248 1.00 0.28 H new ATOM 0 HD11 LEU A 111 2.911 9.837 -0.909 1.00 0.53 H new ATOM 0 HD12 LEU A 111 4.482 9.244 -1.499 1.00 0.53 H new ATOM 0 HD13 LEU A 111 3.008 8.962 -2.455 1.00 0.53 H new ATOM 0 HD21 LEU A 111 1.282 8.435 -0.033 1.00 0.50 H new ATOM 0 HD22 LEU A 111 1.202 7.371 -1.457 1.00 0.50 H new ATOM 0 HD23 LEU A 111 1.513 6.680 0.153 1.00 0.50 H new ATOM 1822 N VAL A 112 4.972 4.371 -3.476 1.00 0.30 N ATOM 1823 CA VAL A 112 5.871 3.287 -3.843 1.00 0.30 C ATOM 1824 C VAL A 112 6.448 3.570 -5.236 1.00 0.33 C ATOM 1825 O VAL A 112 7.570 3.159 -5.540 1.00 0.41 O ATOM 1826 CB VAL A 112 5.080 1.967 -3.745 1.00 0.26 C ATOM 1827 CG1 VAL A 112 5.764 0.750 -4.354 1.00 0.36 C ATOM 1828 CG2 VAL A 112 4.862 1.608 -2.268 1.00 0.30 C ATOM 0 H VAL A 112 3.993 4.085 -3.464 1.00 0.30 H new ATOM 0 HA VAL A 112 6.726 3.204 -3.172 1.00 0.30 H new ATOM 0 HB VAL A 112 4.164 2.164 -4.302 1.00 0.26 H new ATOM 0 HG11 VAL A 112 5.125 -0.125 -4.233 1.00 0.36 H new ATOM 0 HG12 VAL A 112 5.941 0.925 -5.415 1.00 0.36 H new ATOM 0 HG13 VAL A 112 6.715 0.578 -3.851 1.00 0.36 H new ATOM 0 HG21 VAL A 112 4.303 0.675 -2.199 1.00 0.30 H new ATOM 0 HG22 VAL A 112 5.827 1.490 -1.776 1.00 0.30 H new ATOM 0 HG23 VAL A 112 4.301 2.404 -1.779 1.00 0.30 H new ATOM 1838 N ASN A 113 5.677 4.277 -6.064 1.00 0.30 N ATOM 1839 CA ASN A 113 6.073 4.812 -7.352 1.00 0.32 C ATOM 1840 C ASN A 113 6.862 6.099 -7.142 1.00 0.29 C ATOM 1841 O ASN A 113 7.980 6.211 -7.636 1.00 0.35 O ATOM 1842 CB ASN A 113 4.836 5.079 -8.227 1.00 0.39 C ATOM 1843 CG ASN A 113 4.397 3.854 -9.018 1.00 0.94 C ATOM 1844 OD1 ASN A 113 4.918 3.584 -10.092 1.00 1.71 O ATOM 1845 ND2 ASN A 113 3.439 3.088 -8.526 1.00 1.54 N ATOM 0 H ASN A 113 4.708 4.499 -5.834 1.00 0.30 H new ATOM 0 HA ASN A 113 6.701 4.084 -7.865 1.00 0.32 H new ATOM 0 HB2 ASN A 113 4.013 5.411 -7.594 1.00 0.39 H new ATOM 0 HB3 ASN A 113 5.054 5.893 -8.918 1.00 0.39 H new ATOM 0 HD21 ASN A 113 3.129 2.265 -9.042 1.00 1.54 H new ATOM 0 HD22 ASN A 113 3.010 3.320 -7.630 1.00 1.54 H new ATOM 1852 N ASP A 114 6.278 7.072 -6.440 1.00 0.25 N ATOM 1853 CA ASP A 114 6.823 8.421 -6.324 1.00 0.30 C ATOM 1854 C ASP A 114 6.830 8.855 -4.851 1.00 0.27 C ATOM 1855 O ASP A 114 5.877 9.460 -4.357 1.00 0.27 O ATOM 1856 CB ASP A 114 6.028 9.378 -7.224 1.00 0.40 C ATOM 1857 CG ASP A 114 6.819 10.650 -7.524 1.00 0.67 C ATOM 1858 OD1 ASP A 114 7.859 10.861 -6.859 1.00 0.95 O ATOM 1859 OD2 ASP A 114 6.401 11.370 -8.458 1.00 1.28 O ATOM 0 H ASP A 114 5.404 6.941 -5.931 1.00 0.25 H new ATOM 0 HA ASP A 114 7.858 8.442 -6.667 1.00 0.30 H new ATOM 0 HB2 ASP A 114 5.776 8.876 -8.158 1.00 0.40 H new ATOM 0 HB3 ASP A 114 5.088 9.639 -6.739 1.00 0.40 H new ATOM 1864 N PRO A 115 7.870 8.477 -4.097 1.00 0.32 N ATOM 1865 CA PRO A 115 7.923 8.694 -2.661 1.00 0.35 C ATOM 1866 C PRO A 115 8.254 10.150 -2.341 1.00 0.33 C ATOM 1867 O PRO A 115 8.941 10.825 -3.104 1.00 0.42 O ATOM 1868 CB PRO A 115 9.016 7.751 -2.151 1.00 0.46 C ATOM 1869 CG PRO A 115 9.945 7.608 -3.356 1.00 0.50 C ATOM 1870 CD PRO A 115 8.995 7.681 -4.549 1.00 0.40 C ATOM 0 HA PRO A 115 6.964 8.492 -2.183 1.00 0.35 H new ATOM 0 HB2 PRO A 115 9.537 8.167 -1.289 1.00 0.46 H new ATOM 0 HB3 PRO A 115 8.606 6.789 -1.842 1.00 0.46 H new ATOM 0 HG2 PRO A 115 10.689 8.404 -3.386 1.00 0.50 H new ATOM 0 HG3 PRO A 115 10.489 6.664 -3.333 1.00 0.50 H new ATOM 0 HD2 PRO A 115 9.480 8.140 -5.410 1.00 0.40 H new ATOM 0 HD3 PRO A 115 8.674 6.686 -4.857 1.00 0.40 H new ATOM 1878 N GLN A 116 7.820 10.625 -1.171 1.00 0.30 N ATOM 1879 CA GLN A 116 7.985 12.021 -0.775 1.00 0.32 C ATOM 1880 C GLN A 116 9.070 12.144 0.301 1.00 0.33 C ATOM 1881 O GLN A 116 8.790 11.917 1.476 1.00 0.40 O ATOM 1882 CB GLN A 116 6.639 12.625 -0.326 1.00 0.38 C ATOM 1883 CG GLN A 116 5.802 11.730 0.604 1.00 1.85 C ATOM 1884 CD GLN A 116 4.538 12.424 1.111 1.00 1.98 C ATOM 1885 OE1 GLN A 116 4.107 13.438 0.583 1.00 1.99 O ATOM 1886 NE2 GLN A 116 3.898 11.888 2.146 1.00 2.59 N ATOM 0 H GLN A 116 7.345 10.051 -0.474 1.00 0.30 H new ATOM 0 HA GLN A 116 8.317 12.599 -1.637 1.00 0.32 H new ATOM 0 HB2 GLN A 116 6.833 13.570 0.182 1.00 0.38 H new ATOM 0 HB3 GLN A 116 6.048 12.855 -1.212 1.00 0.38 H new ATOM 0 HG2 GLN A 116 5.523 10.820 0.072 1.00 1.85 H new ATOM 0 HG3 GLN A 116 6.412 11.427 1.455 1.00 1.85 H new ATOM 0 HE21 GLN A 116 4.259 11.041 2.586 1.00 2.59 H new ATOM 0 HE22 GLN A 116 3.046 12.323 2.500 1.00 2.59 H new ATOM 1895 N PRO A 117 10.307 12.538 -0.049 1.00 0.35 N ATOM 1896 CA PRO A 117 11.390 12.688 0.914 1.00 0.35 C ATOM 1897 C PRO A 117 11.269 13.956 1.769 1.00 0.44 C ATOM 1898 O PRO A 117 12.171 14.231 2.552 1.00 0.68 O ATOM 1899 CB PRO A 117 12.678 12.668 0.082 1.00 0.41 C ATOM 1900 CG PRO A 117 12.227 13.290 -1.237 1.00 0.48 C ATOM 1901 CD PRO A 117 10.801 12.761 -1.398 1.00 0.42 C ATOM 0 HA PRO A 117 11.370 11.882 1.647 1.00 0.35 H new ATOM 0 HB2 PRO A 117 13.474 13.245 0.552 1.00 0.41 H new ATOM 0 HB3 PRO A 117 13.057 11.655 -0.055 1.00 0.41 H new ATOM 0 HG2 PRO A 117 12.251 14.379 -1.199 1.00 0.48 H new ATOM 0 HG3 PRO A 117 12.866 12.986 -2.066 1.00 0.48 H new ATOM 0 HD2 PRO A 117 10.176 13.478 -1.930 1.00 0.42 H new ATOM 0 HD3 PRO A 117 10.790 11.837 -1.976 1.00 0.42 H new ATOM 1909 N GLU A 118 10.174 14.717 1.664 1.00 0.40 N ATOM 1910 CA GLU A 118 9.945 15.895 2.488 1.00 0.45 C ATOM 1911 C GLU A 118 9.890 15.506 3.967 1.00 0.39 C ATOM 1912 O GLU A 118 10.641 16.032 4.785 1.00 0.54 O ATOM 1913 CB GLU A 118 8.648 16.599 2.047 1.00 0.57 C ATOM 1914 CG GLU A 118 8.933 18.078 1.790 1.00 2.06 C ATOM 1915 CD GLU A 118 7.657 18.886 1.542 1.00 2.39 C ATOM 1916 OE1 GLU A 118 6.821 18.406 0.745 1.00 2.50 O ATOM 1917 OE2 GLU A 118 7.554 19.983 2.132 1.00 3.43 O ATOM 0 H GLU A 118 9.423 14.527 1.001 1.00 0.40 H new ATOM 0 HA GLU A 118 10.773 16.592 2.357 1.00 0.45 H new ATOM 0 HB2 GLU A 118 8.257 16.131 1.144 1.00 0.57 H new ATOM 0 HB3 GLU A 118 7.884 16.493 2.817 1.00 0.57 H new ATOM 0 HG2 GLU A 118 9.464 18.496 2.645 1.00 2.06 H new ATOM 0 HG3 GLU A 118 9.593 18.173 0.928 1.00 2.06 H new ATOM 1924 N HIS A 119 8.983 14.592 4.314 1.00 0.29 N ATOM 1925 CA HIS A 119 8.833 14.092 5.675 1.00 0.27 C ATOM 1926 C HIS A 119 8.062 12.765 5.652 1.00 0.24 C ATOM 1927 O HIS A 119 6.880 12.711 5.997 1.00 0.29 O ATOM 1928 CB HIS A 119 8.151 15.159 6.547 1.00 0.39 C ATOM 1929 CG HIS A 119 7.001 15.859 5.868 1.00 0.80 C ATOM 1930 ND1 HIS A 119 5.865 15.254 5.383 1.00 2.00 N ATOM 1931 CD2 HIS A 119 6.942 17.186 5.538 1.00 1.54 C ATOM 1932 CE1 HIS A 119 5.137 16.202 4.767 1.00 2.27 C ATOM 1933 NE2 HIS A 119 5.744 17.394 4.852 1.00 1.84 N ATOM 0 H HIS A 119 8.328 14.177 3.651 1.00 0.29 H new ATOM 0 HA HIS A 119 9.809 13.892 6.117 1.00 0.27 H new ATOM 0 HB2 HIS A 119 7.789 14.690 7.462 1.00 0.39 H new ATOM 0 HB3 HIS A 119 8.893 15.902 6.842 1.00 0.39 H new ATOM 0 HD1 HIS A 119 5.620 14.268 5.474 1.00 2.00 H new ATOM 0 HD2 HIS A 119 7.686 17.935 5.766 1.00 1.54 H new ATOM 0 HE1 HIS A 119 4.193 16.027 4.272 1.00 2.27 H new ATOM 1941 N PRO A 120 8.706 11.687 5.195 1.00 0.23 N ATOM 1942 CA PRO A 120 8.129 10.354 5.161 1.00 0.19 C ATOM 1943 C PRO A 120 8.366 9.620 6.490 1.00 0.21 C ATOM 1944 O PRO A 120 8.849 10.206 7.456 1.00 0.33 O ATOM 1945 CB PRO A 120 8.858 9.686 4.001 1.00 0.19 C ATOM 1946 CG PRO A 120 10.258 10.278 4.100 1.00 0.22 C ATOM 1947 CD PRO A 120 10.013 11.707 4.564 1.00 0.25 C ATOM 0 HA PRO A 120 7.047 10.352 5.027 1.00 0.19 H new ATOM 0 HB2 PRO A 120 8.869 8.601 4.101 1.00 0.19 H new ATOM 0 HB3 PRO A 120 8.389 9.913 3.044 1.00 0.19 H new ATOM 0 HG2 PRO A 120 10.877 9.727 4.809 1.00 0.22 H new ATOM 0 HG3 PRO A 120 10.773 10.251 3.140 1.00 0.22 H new ATOM 0 HD2 PRO A 120 10.783 12.030 5.265 1.00 0.25 H new ATOM 0 HD3 PRO A 120 10.034 12.402 3.725 1.00 0.25 H new ATOM 1955 N LEU A 121 8.032 8.325 6.538 1.00 0.16 N ATOM 1956 CA LEU A 121 8.149 7.483 7.729 1.00 0.20 C ATOM 1957 C LEU A 121 9.609 7.344 8.150 1.00 0.23 C ATOM 1958 O LEU A 121 9.964 7.580 9.302 1.00 0.35 O ATOM 1959 CB LEU A 121 7.540 6.095 7.441 1.00 0.23 C ATOM 1960 CG LEU A 121 6.386 5.774 8.391 1.00 0.32 C ATOM 1961 CD1 LEU A 121 5.625 4.558 7.870 1.00 0.61 C ATOM 1962 CD2 LEU A 121 6.868 5.508 9.816 1.00 0.56 C ATOM 0 H LEU A 121 7.664 7.824 5.729 1.00 0.16 H new ATOM 0 HA LEU A 121 7.604 7.952 8.548 1.00 0.20 H new ATOM 0 HB2 LEU A 121 7.184 6.061 6.411 1.00 0.23 H new ATOM 0 HB3 LEU A 121 8.313 5.332 7.536 1.00 0.23 H new ATOM 0 HG LEU A 121 5.732 6.645 8.425 1.00 0.32 H new ATOM 0 HD11 LEU A 121 4.802 4.327 8.546 1.00 0.61 H new ATOM 0 HD12 LEU A 121 5.230 4.774 6.877 1.00 0.61 H new ATOM 0 HD13 LEU A 121 6.299 3.703 7.814 1.00 0.61 H new ATOM 0 HD21 LEU A 121 6.013 5.285 10.454 1.00 0.56 H new ATOM 0 HD22 LEU A 121 7.552 4.659 9.816 1.00 0.56 H new ATOM 0 HD23 LEU A 121 7.384 6.390 10.196 1.00 0.56 H new ATOM 1974 N ARG A 122 10.458 6.939 7.207 1.00 0.19 N ATOM 1975 CA ARG A 122 11.890 6.813 7.405 1.00 0.23 C ATOM 1976 C ARG A 122 12.551 7.814 6.482 1.00 0.22 C ATOM 1977 O ARG A 122 12.764 7.516 5.309 1.00 0.22 O ATOM 1978 CB ARG A 122 12.345 5.389 7.064 1.00 0.27 C ATOM 1979 CG ARG A 122 12.178 4.409 8.236 1.00 0.36 C ATOM 1980 CD ARG A 122 13.527 3.801 8.653 1.00 0.50 C ATOM 1981 NE ARG A 122 14.441 4.808 9.230 1.00 0.95 N ATOM 1982 CZ ARG A 122 14.435 5.215 10.506 1.00 1.26 C ATOM 1983 NH1 ARG A 122 15.336 6.094 10.940 1.00 1.77 N ATOM 1984 NH2 ARG A 122 13.519 4.749 11.354 1.00 2.05 N ATOM 0 H ARG A 122 10.157 6.685 6.266 1.00 0.19 H new ATOM 0 HA ARG A 122 12.161 7.006 8.443 1.00 0.23 H new ATOM 0 HB2 ARG A 122 11.774 5.026 6.210 1.00 0.27 H new ATOM 0 HB3 ARG A 122 13.392 5.410 6.762 1.00 0.27 H new ATOM 0 HG2 ARG A 122 11.732 4.927 9.085 1.00 0.36 H new ATOM 0 HG3 ARG A 122 11.490 3.613 7.952 1.00 0.36 H new ATOM 0 HD2 ARG A 122 13.356 3.009 9.382 1.00 0.50 H new ATOM 0 HD3 ARG A 122 13.999 3.340 7.785 1.00 0.50 H new ATOM 0 HE ARG A 122 15.132 5.227 8.607 1.00 0.95 H new ATOM 0 HH11 ARG A 122 16.038 6.463 10.299 1.00 1.77 H new ATOM 0 HH12 ARG A 122 15.324 6.398 11.913 1.00 1.77 H new ATOM 0 HH21 ARG A 122 12.819 4.080 11.032 1.00 2.05 H new ATOM 0 HH22 ARG A 122 13.517 5.061 12.325 1.00 2.05 H new ATOM 1998 N ALA A 123 12.891 8.989 7.010 1.00 0.30 N ATOM 1999 CA ALA A 123 13.596 9.990 6.230 1.00 0.28 C ATOM 2000 C ALA A 123 14.854 9.386 5.611 1.00 0.27 C ATOM 2001 O ALA A 123 15.147 9.695 4.469 1.00 0.22 O ATOM 2002 CB ALA A 123 13.917 11.215 7.089 1.00 0.32 C ATOM 0 H ALA A 123 12.688 9.265 7.971 1.00 0.30 H new ATOM 0 HA ALA A 123 12.952 10.324 5.416 1.00 0.28 H new ATOM 0 HB1 ALA A 123 14.445 11.954 6.486 1.00 0.32 H new ATOM 0 HB2 ALA A 123 12.990 11.649 7.465 1.00 0.32 H new ATOM 0 HB3 ALA A 123 14.544 10.916 7.929 1.00 0.32 H new ATOM 2008 N ASP A 124 15.561 8.493 6.311 1.00 0.36 N ATOM 2009 CA ASP A 124 16.782 7.851 5.819 1.00 0.40 C ATOM 2010 C ASP A 124 16.581 7.188 4.465 1.00 0.38 C ATOM 2011 O ASP A 124 17.346 7.441 3.542 1.00 0.40 O ATOM 2012 CB ASP A 124 17.279 6.781 6.797 1.00 0.65 C ATOM 2013 CG ASP A 124 17.503 7.338 8.191 1.00 1.09 C ATOM 2014 OD1 ASP A 124 16.458 7.561 8.846 1.00 2.72 O ATOM 2015 OD2 ASP A 124 18.670 7.488 8.600 1.00 1.96 O ATOM 0 H ASP A 124 15.296 8.192 7.249 1.00 0.36 H new ATOM 0 HA ASP A 124 17.518 8.649 5.723 1.00 0.40 H new ATOM 0 HB2 ASP A 124 16.553 5.969 6.844 1.00 0.65 H new ATOM 0 HB3 ASP A 124 18.210 6.355 6.424 1.00 0.65 H new ATOM 2020 N LEU A 125 15.564 6.336 4.304 1.00 0.38 N ATOM 2021 CA LEU A 125 15.331 5.693 3.015 1.00 0.41 C ATOM 2022 C LEU A 125 15.057 6.744 1.929 1.00 0.39 C ATOM 2023 O LEU A 125 15.306 6.512 0.749 1.00 0.52 O ATOM 2024 CB LEU A 125 14.181 4.687 3.152 1.00 0.40 C ATOM 2025 CG LEU A 125 14.611 3.443 3.944 1.00 0.55 C ATOM 2026 CD1 LEU A 125 13.373 2.768 4.527 1.00 1.27 C ATOM 2027 CD2 LEU A 125 15.364 2.450 3.060 1.00 1.57 C ATOM 0 H LEU A 125 14.902 6.081 5.037 1.00 0.38 H new ATOM 0 HA LEU A 125 16.223 5.148 2.707 1.00 0.41 H new ATOM 0 HB2 LEU A 125 13.337 5.163 3.651 1.00 0.40 H new ATOM 0 HB3 LEU A 125 13.838 4.388 2.161 1.00 0.40 H new ATOM 0 HG LEU A 125 15.282 3.760 4.742 1.00 0.55 H new ATOM 0 HD11 LEU A 125 13.672 1.884 5.090 1.00 1.27 H new ATOM 0 HD12 LEU A 125 12.857 3.463 5.189 1.00 1.27 H new ATOM 0 HD13 LEU A 125 12.704 2.474 3.718 1.00 1.27 H new ATOM 0 HD21 LEU A 125 15.653 1.582 3.653 1.00 1.57 H new ATOM 0 HD22 LEU A 125 14.720 2.132 2.240 1.00 1.57 H new ATOM 0 HD23 LEU A 125 16.257 2.927 2.656 1.00 1.57 H new ATOM 2039 N ALA A 126 14.542 7.907 2.328 1.00 0.28 N ATOM 2040 CA ALA A 126 14.248 9.031 1.459 1.00 0.27 C ATOM 2041 C ALA A 126 15.506 9.835 1.148 1.00 0.28 C ATOM 2042 O ALA A 126 15.592 10.466 0.099 1.00 0.32 O ATOM 2043 CB ALA A 126 13.204 9.924 2.129 1.00 0.22 C ATOM 0 H ALA A 126 14.312 8.092 3.304 1.00 0.28 H new ATOM 0 HA ALA A 126 13.858 8.650 0.515 1.00 0.27 H new ATOM 0 HB1 ALA A 126 12.979 10.771 1.480 1.00 0.22 H new ATOM 0 HB2 ALA A 126 12.294 9.350 2.306 1.00 0.22 H new ATOM 0 HB3 ALA A 126 13.593 10.289 3.080 1.00 0.22 H new ATOM 2049 N GLU A 127 16.466 9.836 2.063 1.00 0.28 N ATOM 2050 CA GLU A 127 17.740 10.506 1.942 1.00 0.30 C ATOM 2051 C GLU A 127 18.572 9.726 0.957 1.00 0.33 C ATOM 2052 O GLU A 127 18.942 10.266 -0.073 1.00 0.39 O ATOM 2053 CB GLU A 127 18.451 10.595 3.293 1.00 0.31 C ATOM 2054 CG GLU A 127 17.674 11.541 4.206 1.00 0.34 C ATOM 2055 CD GLU A 127 18.469 12.819 4.469 1.00 0.72 C ATOM 2056 OE1 GLU A 127 18.622 13.593 3.495 1.00 2.04 O ATOM 2057 OE2 GLU A 127 18.954 12.994 5.605 1.00 1.51 O ATOM 0 H GLU A 127 16.366 9.344 2.951 1.00 0.28 H new ATOM 0 HA GLU A 127 17.590 11.528 1.595 1.00 0.30 H new ATOM 0 HB2 GLU A 127 18.520 9.607 3.747 1.00 0.31 H new ATOM 0 HB3 GLU A 127 19.471 10.956 3.158 1.00 0.31 H new ATOM 0 HG2 GLU A 127 16.717 11.791 3.748 1.00 0.34 H new ATOM 0 HG3 GLU A 127 17.455 11.043 5.151 1.00 0.34 H new ATOM 2064 N GLU A 128 18.833 8.450 1.229 1.00 0.32 N ATOM 2065 CA GLU A 128 19.616 7.607 0.340 1.00 0.34 C ATOM 2066 C GLU A 128 18.990 7.611 -1.057 1.00 0.30 C ATOM 2067 O GLU A 128 19.703 7.589 -2.052 1.00 0.30 O ATOM 2068 CB GLU A 128 19.744 6.199 0.943 1.00 0.40 C ATOM 2069 CG GLU A 128 20.918 5.441 0.313 1.00 0.67 C ATOM 2070 CD GLU A 128 21.193 4.109 1.015 1.00 1.34 C ATOM 2071 OE1 GLU A 128 20.894 3.057 0.401 1.00 2.05 O ATOM 2072 OE2 GLU A 128 21.730 4.161 2.144 1.00 2.73 O ATOM 0 H GLU A 128 18.507 7.975 2.071 1.00 0.32 H new ATOM 0 HA GLU A 128 20.628 7.998 0.233 1.00 0.34 H new ATOM 0 HB2 GLU A 128 19.889 6.272 2.021 1.00 0.40 H new ATOM 0 HB3 GLU A 128 18.819 5.645 0.783 1.00 0.40 H new ATOM 0 HG2 GLU A 128 20.706 5.257 -0.740 1.00 0.67 H new ATOM 0 HG3 GLU A 128 21.813 6.062 0.354 1.00 0.67 H new ATOM 2079 N TYR A 129 17.661 7.727 -1.139 1.00 0.28 N ATOM 2080 CA TYR A 129 16.968 7.881 -2.415 1.00 0.28 C ATOM 2081 C TYR A 129 17.305 9.227 -3.061 1.00 0.30 C ATOM 2082 O TYR A 129 17.739 9.296 -4.205 1.00 0.33 O ATOM 2083 CB TYR A 129 15.460 7.771 -2.169 1.00 0.25 C ATOM 2084 CG TYR A 129 14.572 8.063 -3.363 1.00 0.75 C ATOM 2085 CD1 TYR A 129 14.495 7.133 -4.412 1.00 1.70 C ATOM 2086 CD2 TYR A 129 13.796 9.237 -3.415 1.00 2.04 C ATOM 2087 CE1 TYR A 129 13.637 7.352 -5.502 1.00 2.07 C ATOM 2088 CE2 TYR A 129 12.937 9.472 -4.506 1.00 2.49 C ATOM 2089 CZ TYR A 129 12.849 8.524 -5.552 1.00 1.99 C ATOM 2090 OH TYR A 129 12.019 8.723 -6.614 1.00 2.59 O ATOM 0 H TYR A 129 17.042 7.717 -0.328 1.00 0.28 H new ATOM 0 HA TYR A 129 17.292 7.097 -3.099 1.00 0.28 H new ATOM 0 HB2 TYR A 129 15.241 6.763 -1.816 1.00 0.25 H new ATOM 0 HB3 TYR A 129 15.192 8.456 -1.365 1.00 0.25 H new ATOM 0 HD1 TYR A 129 15.102 6.240 -4.380 1.00 1.70 H new ATOM 0 HD2 TYR A 129 13.860 9.960 -2.615 1.00 2.04 H new ATOM 0 HE1 TYR A 129 13.580 6.627 -6.300 1.00 2.07 H new ATOM 0 HE2 TYR A 129 12.346 10.375 -4.544 1.00 2.49 H new ATOM 0 HH TYR A 129 11.544 9.573 -6.503 1.00 2.59 H new ATOM 2100 N SER A 130 17.071 10.313 -2.335 1.00 0.31 N ATOM 2101 CA SER A 130 17.167 11.683 -2.815 1.00 0.35 C ATOM 2102 C SER A 130 18.584 11.967 -3.312 1.00 0.40 C ATOM 2103 O SER A 130 18.772 12.602 -4.348 1.00 0.58 O ATOM 2104 CB SER A 130 16.744 12.616 -1.669 1.00 0.33 C ATOM 2105 OG SER A 130 17.009 13.975 -1.956 1.00 0.59 O ATOM 0 H SER A 130 16.798 10.259 -1.354 1.00 0.31 H new ATOM 0 HA SER A 130 16.504 11.851 -3.664 1.00 0.35 H new ATOM 0 HB2 SER A 130 15.679 12.489 -1.475 1.00 0.33 H new ATOM 0 HB3 SER A 130 17.270 12.330 -0.758 1.00 0.33 H new ATOM 0 HG SER A 130 16.723 14.531 -1.201 1.00 0.59 H new ATOM 2111 N LYS A 131 19.572 11.486 -2.563 1.00 0.38 N ATOM 2112 CA LYS A 131 20.982 11.584 -2.881 1.00 0.40 C ATOM 2113 C LYS A 131 21.290 10.648 -4.045 1.00 0.42 C ATOM 2114 O LYS A 131 22.032 11.032 -4.944 1.00 0.46 O ATOM 2115 CB LYS A 131 21.840 11.243 -1.646 1.00 0.42 C ATOM 2116 CG LYS A 131 21.978 12.408 -0.646 1.00 0.60 C ATOM 2117 CD LYS A 131 20.772 12.573 0.283 1.00 0.86 C ATOM 2118 CE LYS A 131 20.982 13.727 1.269 1.00 1.39 C ATOM 2119 NZ LYS A 131 19.775 14.567 1.398 1.00 2.46 N ATOM 0 H LYS A 131 19.399 10.999 -1.684 1.00 0.38 H new ATOM 0 HA LYS A 131 21.225 12.606 -3.172 1.00 0.40 H new ATOM 0 HB2 LYS A 131 21.400 10.387 -1.134 1.00 0.42 H new ATOM 0 HB3 LYS A 131 22.833 10.941 -1.977 1.00 0.42 H new ATOM 0 HG2 LYS A 131 22.871 12.251 -0.041 1.00 0.60 H new ATOM 0 HG3 LYS A 131 22.127 13.335 -1.201 1.00 0.60 H new ATOM 0 HD2 LYS A 131 19.876 12.757 -0.310 1.00 0.86 H new ATOM 0 HD3 LYS A 131 20.605 11.647 0.834 1.00 0.86 H new ATOM 0 HE2 LYS A 131 21.251 13.325 2.246 1.00 1.39 H new ATOM 0 HE3 LYS A 131 21.818 14.342 0.936 1.00 1.39 H new ATOM 0 HZ1 LYS A 131 20.034 15.567 1.282 1.00 2.46 H new ATOM 0 HZ2 LYS A 131 19.087 14.300 0.666 1.00 2.46 H new ATOM 0 HZ3 LYS A 131 19.353 14.426 2.338 1.00 2.46 H new ATOM 2133 N ASP A 132 20.761 9.422 -4.033 1.00 0.40 N ATOM 2134 CA ASP A 132 21.114 8.437 -5.044 1.00 0.44 C ATOM 2135 C ASP A 132 19.983 7.433 -5.295 1.00 0.43 C ATOM 2136 O ASP A 132 19.953 6.311 -4.779 1.00 0.45 O ATOM 2137 CB ASP A 132 22.408 7.734 -4.638 1.00 0.49 C ATOM 2138 CG ASP A 132 22.982 6.928 -5.801 1.00 0.58 C ATOM 2139 OD1 ASP A 132 24.220 6.760 -5.833 1.00 1.61 O ATOM 2140 OD2 ASP A 132 22.178 6.456 -6.636 1.00 1.85 O ATOM 0 H ASP A 132 20.091 9.094 -3.337 1.00 0.40 H new ATOM 0 HA ASP A 132 21.272 8.957 -5.989 1.00 0.44 H new ATOM 0 HB2 ASP A 132 23.139 8.472 -4.307 1.00 0.49 H new ATOM 0 HB3 ASP A 132 22.217 7.073 -3.792 1.00 0.49 H new ATOM 2145 N ARG A 133 19.066 7.798 -6.195 1.00 0.43 N ATOM 2146 CA ARG A 133 17.987 6.887 -6.552 1.00 0.41 C ATOM 2147 C ARG A 133 18.506 5.604 -7.183 1.00 0.42 C ATOM 2148 O ARG A 133 17.759 4.634 -7.225 1.00 0.41 O ATOM 2149 CB ARG A 133 16.956 7.497 -7.504 1.00 0.44 C ATOM 2150 CG ARG A 133 16.271 8.759 -6.969 1.00 0.54 C ATOM 2151 CD ARG A 133 17.019 10.062 -7.287 1.00 1.26 C ATOM 2152 NE ARG A 133 16.143 11.021 -7.981 1.00 1.51 N ATOM 2153 CZ ARG A 133 15.765 10.943 -9.264 1.00 2.00 C ATOM 2154 NH1 ARG A 133 14.881 11.810 -9.758 1.00 2.67 N ATOM 2155 NH2 ARG A 133 16.265 9.993 -10.053 1.00 2.96 N ATOM 0 H ARG A 133 19.051 8.697 -6.677 1.00 0.43 H new ATOM 0 HA ARG A 133 17.498 6.670 -5.602 1.00 0.41 H new ATOM 0 HB2 ARG A 133 17.447 7.737 -8.447 1.00 0.44 H new ATOM 0 HB3 ARG A 133 16.194 6.749 -7.723 1.00 0.44 H new ATOM 0 HG2 ARG A 133 15.266 8.819 -7.387 1.00 0.54 H new ATOM 0 HG3 ARG A 133 16.162 8.670 -5.888 1.00 0.54 H new ATOM 0 HD2 ARG A 133 17.390 10.506 -6.364 1.00 1.26 H new ATOM 0 HD3 ARG A 133 17.888 9.844 -7.908 1.00 1.26 H new ATOM 0 HE ARG A 133 15.794 11.812 -7.439 1.00 1.51 H new ATOM 0 HH11 ARG A 133 14.490 12.537 -9.159 1.00 2.67 H new ATOM 0 HH12 ARG A 133 14.596 11.747 -10.735 1.00 2.67 H new ATOM 0 HH21 ARG A 133 16.937 9.323 -9.681 1.00 2.96 H new ATOM 0 HH22 ARG A 133 15.975 9.936 -11.029 1.00 2.96 H new ATOM 2169 N LYS A 134 19.724 5.566 -7.727 1.00 0.48 N ATOM 2170 CA LYS A 134 20.227 4.356 -8.363 1.00 0.51 C ATOM 2171 C LYS A 134 20.422 3.287 -7.302 1.00 0.48 C ATOM 2172 O LYS A 134 19.963 2.166 -7.502 1.00 0.48 O ATOM 2173 CB LYS A 134 21.510 4.635 -9.156 1.00 0.62 C ATOM 2174 CG LYS A 134 21.167 5.450 -10.410 1.00 0.76 C ATOM 2175 CD LYS A 134 22.309 6.391 -10.797 1.00 1.81 C ATOM 2176 CE LYS A 134 21.881 7.206 -12.021 1.00 2.38 C ATOM 2177 NZ LYS A 134 22.892 8.220 -12.389 1.00 3.33 N ATOM 0 H LYS A 134 20.372 6.354 -7.738 1.00 0.48 H new ATOM 0 HA LYS A 134 19.499 3.993 -9.089 1.00 0.51 H new ATOM 0 HB2 LYS A 134 22.222 5.181 -8.537 1.00 0.62 H new ATOM 0 HB3 LYS A 134 21.988 3.697 -9.438 1.00 0.62 H new ATOM 0 HG2 LYS A 134 20.955 4.774 -11.238 1.00 0.76 H new ATOM 0 HG3 LYS A 134 20.261 6.030 -10.232 1.00 0.76 H new ATOM 0 HD2 LYS A 134 22.549 7.055 -9.966 1.00 1.81 H new ATOM 0 HD3 LYS A 134 23.210 5.820 -11.020 1.00 1.81 H new ATOM 0 HE2 LYS A 134 21.716 6.535 -12.864 1.00 2.38 H new ATOM 0 HE3 LYS A 134 20.931 7.699 -11.815 1.00 2.38 H new ATOM 0 HZ1 LYS A 134 22.565 8.750 -13.222 1.00 3.33 H new ATOM 0 HZ2 LYS A 134 23.031 8.876 -11.594 1.00 3.33 H new ATOM 0 HZ3 LYS A 134 23.792 7.748 -12.611 1.00 3.33 H new ATOM 2191 N LYS A 135 21.037 3.606 -6.159 1.00 0.49 N ATOM 2192 CA LYS A 135 21.118 2.609 -5.090 1.00 0.49 C ATOM 2193 C LYS A 135 19.741 2.198 -4.617 1.00 0.41 C ATOM 2194 O LYS A 135 19.534 1.026 -4.348 1.00 0.43 O ATOM 2195 CB LYS A 135 21.936 3.081 -3.887 1.00 0.57 C ATOM 2196 CG LYS A 135 23.434 2.981 -4.204 1.00 0.76 C ATOM 2197 CD LYS A 135 24.136 4.334 -4.107 1.00 1.38 C ATOM 2198 CE LYS A 135 25.064 4.429 -2.895 1.00 1.55 C ATOM 2199 NZ LYS A 135 26.481 4.372 -3.304 1.00 2.84 N ATOM 0 H LYS A 135 21.469 4.507 -5.955 1.00 0.49 H new ATOM 0 HA LYS A 135 21.631 1.754 -5.530 1.00 0.49 H new ATOM 0 HB2 LYS A 135 21.675 4.110 -3.640 1.00 0.57 H new ATOM 0 HB3 LYS A 135 21.699 2.474 -3.014 1.00 0.57 H new ATOM 0 HG2 LYS A 135 23.904 2.280 -3.514 1.00 0.76 H new ATOM 0 HG3 LYS A 135 23.565 2.577 -5.208 1.00 0.76 H new ATOM 0 HD2 LYS A 135 24.713 4.506 -5.016 1.00 1.38 H new ATOM 0 HD3 LYS A 135 23.388 5.124 -4.050 1.00 1.38 H new ATOM 0 HE2 LYS A 135 24.874 5.359 -2.360 1.00 1.55 H new ATOM 0 HE3 LYS A 135 24.849 3.614 -2.204 1.00 1.55 H new ATOM 0 HZ1 LYS A 135 27.088 4.439 -2.462 1.00 2.84 H new ATOM 0 HZ2 LYS A 135 26.665 3.473 -3.794 1.00 2.84 H new ATOM 0 HZ3 LYS A 135 26.690 5.164 -3.945 1.00 2.84 H new ATOM 2213 N PHE A 136 18.794 3.121 -4.483 1.00 0.37 N ATOM 2214 CA PHE A 136 17.456 2.745 -4.044 1.00 0.36 C ATOM 2215 C PHE A 136 16.848 1.769 -5.046 1.00 0.34 C ATOM 2216 O PHE A 136 16.205 0.804 -4.659 1.00 0.36 O ATOM 2217 CB PHE A 136 16.570 3.981 -3.877 1.00 0.37 C ATOM 2218 CG PHE A 136 15.089 3.696 -4.045 1.00 0.68 C ATOM 2219 CD1 PHE A 136 14.503 3.847 -5.318 1.00 2.20 C ATOM 2220 CD2 PHE A 136 14.310 3.241 -2.965 1.00 1.58 C ATOM 2221 CE1 PHE A 136 13.144 3.559 -5.510 1.00 2.67 C ATOM 2222 CE2 PHE A 136 12.948 2.948 -3.159 1.00 1.79 C ATOM 2223 CZ PHE A 136 12.369 3.110 -4.431 1.00 1.87 C ATOM 0 H PHE A 136 18.924 4.116 -4.668 1.00 0.37 H new ATOM 0 HA PHE A 136 17.524 2.257 -3.072 1.00 0.36 H new ATOM 0 HB2 PHE A 136 16.739 4.408 -2.888 1.00 0.37 H new ATOM 0 HB3 PHE A 136 16.871 4.734 -4.605 1.00 0.37 H new ATOM 0 HD1 PHE A 136 15.103 4.186 -6.149 1.00 2.20 H new ATOM 0 HD2 PHE A 136 14.757 3.117 -1.990 1.00 1.58 H new ATOM 0 HE1 PHE A 136 12.696 3.683 -6.485 1.00 2.67 H new ATOM 0 HE2 PHE A 136 12.347 2.599 -2.332 1.00 1.79 H new ATOM 0 HZ PHE A 136 11.322 2.887 -4.577 1.00 1.87 H new ATOM 2233 N CYS A 137 17.037 2.034 -6.336 1.00 0.33 N ATOM 2234 CA CYS A 137 16.436 1.260 -7.399 1.00 0.36 C ATOM 2235 C CYS A 137 17.036 -0.147 -7.395 1.00 0.32 C ATOM 2236 O CYS A 137 16.330 -1.137 -7.540 1.00 0.33 O ATOM 2237 CB CYS A 137 16.656 1.980 -8.735 1.00 0.45 C ATOM 2238 SG CYS A 137 15.443 1.393 -9.945 1.00 1.43 S ATOM 0 H CYS A 137 17.620 2.803 -6.668 1.00 0.33 H new ATOM 0 HA CYS A 137 15.361 1.164 -7.248 1.00 0.36 H new ATOM 0 HB2 CYS A 137 16.559 3.057 -8.600 1.00 0.45 H new ATOM 0 HB3 CYS A 137 17.667 1.794 -9.098 1.00 0.45 H new ATOM 0 HG CYS A 137 15.628 2.005 -11.077 1.00 1.43 H new ATOM 2244 N LYS A 138 18.353 -0.250 -7.216 1.00 0.33 N ATOM 2245 CA LYS A 138 19.038 -1.542 -7.279 1.00 0.35 C ATOM 2246 C LYS A 138 18.722 -2.355 -6.031 1.00 0.34 C ATOM 2247 O LYS A 138 18.307 -3.507 -6.123 1.00 0.36 O ATOM 2248 CB LYS A 138 20.544 -1.323 -7.460 1.00 0.47 C ATOM 2249 CG LYS A 138 20.833 -0.789 -8.871 1.00 1.15 C ATOM 2250 CD LYS A 138 20.889 -1.922 -9.902 1.00 1.10 C ATOM 2251 CE LYS A 138 20.725 -1.338 -11.308 1.00 1.85 C ATOM 2252 NZ LYS A 138 21.388 -2.175 -12.330 1.00 2.56 N ATOM 0 H LYS A 138 18.966 0.543 -7.027 1.00 0.33 H new ATOM 0 HA LYS A 138 18.683 -2.110 -8.139 1.00 0.35 H new ATOM 0 HB2 LYS A 138 20.909 -0.617 -6.714 1.00 0.47 H new ATOM 0 HB3 LYS A 138 21.078 -2.260 -7.301 1.00 0.47 H new ATOM 0 HG2 LYS A 138 20.060 -0.075 -9.156 1.00 1.15 H new ATOM 0 HG3 LYS A 138 21.780 -0.250 -8.870 1.00 1.15 H new ATOM 0 HD2 LYS A 138 21.838 -2.452 -9.825 1.00 1.10 H new ATOM 0 HD3 LYS A 138 20.101 -2.648 -9.704 1.00 1.10 H new ATOM 0 HE2 LYS A 138 19.664 -1.249 -11.543 1.00 1.85 H new ATOM 0 HE3 LYS A 138 21.143 -0.332 -11.335 1.00 1.85 H new ATOM 0 HZ1 LYS A 138 21.255 -1.747 -13.269 1.00 2.56 H new ATOM 0 HZ2 LYS A 138 22.404 -2.240 -12.120 1.00 2.56 H new ATOM 0 HZ3 LYS A 138 20.972 -3.128 -12.322 1.00 2.56 H new ATOM 2266 N ASN A 139 18.849 -1.725 -4.863 1.00 0.33 N ATOM 2267 CA ASN A 139 18.365 -2.275 -3.605 1.00 0.35 C ATOM 2268 C ASN A 139 16.953 -2.800 -3.785 1.00 0.36 C ATOM 2269 O ASN A 139 16.659 -3.888 -3.316 1.00 0.43 O ATOM 2270 CB ASN A 139 18.326 -1.223 -2.492 1.00 0.40 C ATOM 2271 CG ASN A 139 19.638 -1.046 -1.740 1.00 0.50 C ATOM 2272 OD1 ASN A 139 20.112 -1.968 -1.088 1.00 1.30 O ATOM 2273 ND2 ASN A 139 20.193 0.156 -1.733 1.00 0.75 N ATOM 0 H ASN A 139 19.294 -0.812 -4.767 1.00 0.33 H new ATOM 0 HA ASN A 139 19.055 -3.070 -3.321 1.00 0.35 H new ATOM 0 HB2 ASN A 139 18.039 -0.265 -2.926 1.00 0.40 H new ATOM 0 HB3 ASN A 139 17.548 -1.496 -1.779 1.00 0.40 H new ATOM 0 HD21 ASN A 139 21.031 0.328 -1.178 1.00 0.75 H new ATOM 0 HD22 ASN A 139 19.782 0.910 -2.283 1.00 0.75 H new ATOM 2280 N ALA A 140 16.069 -2.027 -4.422 1.00 0.36 N ATOM 2281 CA ALA A 140 14.682 -2.407 -4.592 1.00 0.39 C ATOM 2282 C ALA A 140 14.554 -3.657 -5.444 1.00 0.36 C ATOM 2283 O ALA A 140 13.752 -4.506 -5.109 1.00 0.43 O ATOM 2284 CB ALA A 140 13.841 -1.280 -5.183 1.00 0.40 C ATOM 0 H ALA A 140 16.304 -1.122 -4.831 1.00 0.36 H new ATOM 0 HA ALA A 140 14.296 -2.620 -3.595 1.00 0.39 H new ATOM 0 HB1 ALA A 140 12.809 -1.614 -5.291 1.00 0.40 H new ATOM 0 HB2 ALA A 140 13.875 -0.415 -4.521 1.00 0.40 H new ATOM 0 HB3 ALA A 140 14.237 -1.004 -6.160 1.00 0.40 H new ATOM 2290 N GLU A 141 15.300 -3.786 -6.538 1.00 0.29 N ATOM 2291 CA GLU A 141 15.280 -4.972 -7.386 1.00 0.31 C ATOM 2292 C GLU A 141 15.548 -6.219 -6.541 1.00 0.34 C ATOM 2293 O GLU A 141 14.836 -7.223 -6.623 1.00 0.45 O ATOM 2294 CB GLU A 141 16.326 -4.760 -8.493 1.00 0.34 C ATOM 2295 CG GLU A 141 16.288 -5.824 -9.587 1.00 0.84 C ATOM 2296 CD GLU A 141 17.188 -5.431 -10.767 1.00 0.90 C ATOM 2297 OE1 GLU A 141 16.687 -5.515 -11.911 1.00 1.97 O ATOM 2298 OE2 GLU A 141 18.357 -5.054 -10.528 1.00 1.34 O ATOM 0 H GLU A 141 15.941 -3.062 -6.863 1.00 0.29 H new ATOM 0 HA GLU A 141 14.306 -5.125 -7.850 1.00 0.31 H new ATOM 0 HB2 GLU A 141 16.169 -3.781 -8.946 1.00 0.34 H new ATOM 0 HB3 GLU A 141 17.319 -4.749 -8.044 1.00 0.34 H new ATOM 0 HG2 GLU A 141 16.613 -6.781 -9.180 1.00 0.84 H new ATOM 0 HG3 GLU A 141 15.264 -5.957 -9.935 1.00 0.84 H new ATOM 2305 N GLU A 142 16.559 -6.135 -5.681 1.00 0.34 N ATOM 2306 CA GLU A 142 16.920 -7.234 -4.809 1.00 0.39 C ATOM 2307 C GLU A 142 15.865 -7.444 -3.733 1.00 0.42 C ATOM 2308 O GLU A 142 15.544 -8.574 -3.398 1.00 0.52 O ATOM 2309 CB GLU A 142 18.248 -6.960 -4.109 1.00 0.48 C ATOM 2310 CG GLU A 142 19.464 -7.043 -5.032 1.00 0.95 C ATOM 2311 CD GLU A 142 20.737 -6.838 -4.209 1.00 1.82 C ATOM 2312 OE1 GLU A 142 20.808 -7.469 -3.125 1.00 2.12 O ATOM 2313 OE2 GLU A 142 21.599 -6.049 -4.643 1.00 2.86 O ATOM 0 H GLU A 142 17.144 -5.306 -5.574 1.00 0.34 H new ATOM 0 HA GLU A 142 17.000 -8.123 -5.435 1.00 0.39 H new ATOM 0 HB2 GLU A 142 18.212 -5.968 -3.660 1.00 0.48 H new ATOM 0 HB3 GLU A 142 18.373 -7.674 -3.295 1.00 0.48 H new ATOM 0 HG2 GLU A 142 19.491 -8.012 -5.530 1.00 0.95 H new ATOM 0 HG3 GLU A 142 19.395 -6.285 -5.812 1.00 0.95 H new ATOM 2320 N PHE A 143 15.370 -6.375 -3.123 1.00 0.42 N ATOM 2321 CA PHE A 143 14.416 -6.442 -2.027 1.00 0.44 C ATOM 2322 C PHE A 143 13.161 -7.152 -2.527 1.00 0.36 C ATOM 2323 O PHE A 143 12.673 -8.094 -1.904 1.00 0.35 O ATOM 2324 CB PHE A 143 14.158 -5.029 -1.476 1.00 0.49 C ATOM 2325 CG PHE A 143 12.719 -4.740 -1.130 1.00 2.07 C ATOM 2326 CD1 PHE A 143 12.023 -5.622 -0.294 1.00 2.10 C ATOM 2327 CD2 PHE A 143 12.044 -3.664 -1.736 1.00 4.50 C ATOM 2328 CE1 PHE A 143 10.637 -5.502 -0.156 1.00 4.02 C ATOM 2329 CE2 PHE A 143 10.679 -3.471 -1.496 1.00 6.31 C ATOM 2330 CZ PHE A 143 9.970 -4.422 -0.748 1.00 5.96 C ATOM 0 H PHE A 143 15.625 -5.422 -3.381 1.00 0.42 H new ATOM 0 HA PHE A 143 14.803 -7.021 -1.189 1.00 0.44 H new ATOM 0 HB2 PHE A 143 14.768 -4.885 -0.584 1.00 0.49 H new ATOM 0 HB3 PHE A 143 14.494 -4.300 -2.213 1.00 0.49 H new ATOM 0 HD1 PHE A 143 12.556 -6.393 0.243 1.00 2.10 H new ATOM 0 HD2 PHE A 143 12.579 -2.988 -2.386 1.00 4.50 H new ATOM 0 HE1 PHE A 143 10.082 -6.240 0.405 1.00 4.02 H new ATOM 0 HE2 PHE A 143 10.176 -2.597 -1.883 1.00 6.31 H new ATOM 0 HZ PHE A 143 8.902 -4.321 -0.628 1.00 5.96 H new ATOM 2340 N THR A 144 12.655 -6.713 -3.670 1.00 0.33 N ATOM 2341 CA THR A 144 11.546 -7.329 -4.351 1.00 0.31 C ATOM 2342 C THR A 144 11.815 -8.823 -4.542 1.00 0.32 C ATOM 2343 O THR A 144 10.945 -9.624 -4.219 1.00 0.34 O ATOM 2344 CB THR A 144 11.279 -6.541 -5.639 1.00 0.36 C ATOM 2345 OG1 THR A 144 10.630 -5.336 -5.294 1.00 0.51 O ATOM 2346 CG2 THR A 144 10.389 -7.296 -6.612 1.00 0.27 C ATOM 0 H THR A 144 13.021 -5.894 -4.156 1.00 0.33 H new ATOM 0 HA THR A 144 10.627 -7.288 -3.766 1.00 0.31 H new ATOM 0 HB THR A 144 12.238 -6.368 -6.128 1.00 0.36 H new ATOM 0 HG1 THR A 144 9.806 -5.537 -4.803 1.00 0.51 H new ATOM 0 HG21 THR A 144 10.233 -6.692 -7.506 1.00 0.27 H new ATOM 0 HG22 THR A 144 10.867 -8.236 -6.888 1.00 0.27 H new ATOM 0 HG23 THR A 144 9.428 -7.502 -6.141 1.00 0.27 H new ATOM 2354 N LYS A 145 13.000 -9.249 -4.997 1.00 0.35 N ATOM 2355 CA LYS A 145 13.235 -10.684 -5.143 1.00 0.41 C ATOM 2356 C LYS A 145 13.497 -11.377 -3.790 1.00 0.49 C ATOM 2357 O LYS A 145 13.359 -12.591 -3.697 1.00 0.61 O ATOM 2358 CB LYS A 145 14.297 -10.927 -6.235 1.00 0.42 C ATOM 2359 CG LYS A 145 15.749 -10.998 -5.745 1.00 1.89 C ATOM 2360 CD LYS A 145 16.128 -12.440 -5.398 1.00 1.92 C ATOM 2361 CE LYS A 145 17.112 -12.504 -4.225 1.00 3.37 C ATOM 2362 NZ LYS A 145 18.497 -12.770 -4.666 1.00 4.10 N ATOM 0 H LYS A 145 13.780 -8.646 -5.260 1.00 0.35 H new ATOM 0 HA LYS A 145 12.326 -11.173 -5.494 1.00 0.41 H new ATOM 0 HB2 LYS A 145 14.059 -11.860 -6.746 1.00 0.42 H new ATOM 0 HB3 LYS A 145 14.221 -10.130 -6.974 1.00 0.42 H new ATOM 0 HG2 LYS A 145 16.418 -10.615 -6.516 1.00 1.89 H new ATOM 0 HG3 LYS A 145 15.875 -10.362 -4.869 1.00 1.89 H new ATOM 0 HD2 LYS A 145 15.228 -13.002 -5.148 1.00 1.92 H new ATOM 0 HD3 LYS A 145 16.571 -12.919 -6.271 1.00 1.92 H new ATOM 0 HE2 LYS A 145 17.082 -11.562 -3.678 1.00 3.37 H new ATOM 0 HE3 LYS A 145 16.798 -13.285 -3.533 1.00 3.37 H new ATOM 0 HZ1 LYS A 145 19.125 -12.804 -3.837 1.00 4.10 H new ATOM 0 HZ2 LYS A 145 18.533 -13.681 -5.166 1.00 4.10 H new ATOM 0 HZ3 LYS A 145 18.809 -12.012 -5.306 1.00 4.10 H new ATOM 2376 N LYS A 146 13.898 -10.649 -2.739 1.00 0.50 N ATOM 2377 CA LYS A 146 14.145 -11.205 -1.407 1.00 0.59 C ATOM 2378 C LYS A 146 12.811 -11.615 -0.787 1.00 0.55 C ATOM 2379 O LYS A 146 12.634 -12.767 -0.409 1.00 0.61 O ATOM 2380 CB LYS A 146 14.861 -10.192 -0.479 1.00 0.66 C ATOM 2381 CG LYS A 146 16.390 -10.333 -0.335 1.00 0.87 C ATOM 2382 CD LYS A 146 17.216 -9.239 -1.033 1.00 1.35 C ATOM 2383 CE LYS A 146 18.527 -8.995 -0.271 1.00 1.86 C ATOM 2384 NZ LYS A 146 19.376 -7.960 -0.909 1.00 2.70 N ATOM 0 H LYS A 146 14.061 -9.644 -2.794 1.00 0.50 H new ATOM 0 HA LYS A 146 14.800 -12.069 -1.515 1.00 0.59 H new ATOM 0 HB2 LYS A 146 14.646 -9.188 -0.844 1.00 0.66 H new ATOM 0 HB3 LYS A 146 14.419 -10.271 0.514 1.00 0.66 H new ATOM 0 HG2 LYS A 146 16.641 -10.334 0.726 1.00 0.87 H new ATOM 0 HG3 LYS A 146 16.689 -11.302 -0.734 1.00 0.87 H new ATOM 0 HD2 LYS A 146 17.433 -9.536 -2.059 1.00 1.35 H new ATOM 0 HD3 LYS A 146 16.640 -8.315 -1.084 1.00 1.35 H new ATOM 0 HE2 LYS A 146 18.298 -8.692 0.751 1.00 1.86 H new ATOM 0 HE3 LYS A 146 19.085 -9.929 -0.208 1.00 1.86 H new ATOM 0 HZ1 LYS A 146 20.141 -7.689 -0.258 1.00 2.70 H new ATOM 0 HZ2 LYS A 146 19.786 -8.340 -1.786 1.00 2.70 H new ATOM 0 HZ3 LYS A 146 18.797 -7.125 -1.131 1.00 2.70 H new ATOM 2398 N TYR A 147 11.918 -10.642 -0.592 1.00 0.47 N ATOM 2399 CA TYR A 147 10.658 -10.812 0.123 1.00 0.41 C ATOM 2400 C TYR A 147 9.441 -10.421 -0.706 1.00 0.35 C ATOM 2401 O TYR A 147 8.332 -10.761 -0.308 1.00 0.42 O ATOM 2402 CB TYR A 147 10.659 -9.976 1.401 1.00 0.44 C ATOM 2403 CG TYR A 147 10.898 -10.829 2.619 1.00 0.43 C ATOM 2404 CD1 TYR A 147 12.176 -11.359 2.842 1.00 1.85 C ATOM 2405 CD2 TYR A 147 9.838 -11.140 3.490 1.00 1.82 C ATOM 2406 CE1 TYR A 147 12.409 -12.193 3.942 1.00 1.89 C ATOM 2407 CE2 TYR A 147 10.070 -11.956 4.607 1.00 1.81 C ATOM 2408 CZ TYR A 147 11.359 -12.482 4.845 1.00 0.51 C ATOM 2409 OH TYR A 147 11.573 -13.269 5.936 1.00 0.57 O ATOM 0 H TYR A 147 12.058 -9.692 -0.937 1.00 0.47 H new ATOM 0 HA TYR A 147 10.582 -11.875 0.351 1.00 0.41 H new ATOM 0 HB2 TYR A 147 11.431 -9.210 1.335 1.00 0.44 H new ATOM 0 HB3 TYR A 147 9.705 -9.459 1.499 1.00 0.44 H new ATOM 0 HD1 TYR A 147 12.983 -11.124 2.164 1.00 1.85 H new ATOM 0 HD2 TYR A 147 8.848 -10.752 3.299 1.00 1.82 H new ATOM 0 HE1 TYR A 147 13.390 -12.616 4.101 1.00 1.89 H new ATOM 0 HE2 TYR A 147 9.262 -12.183 5.286 1.00 1.81 H new ATOM 0 HH TYR A 147 10.739 -13.358 6.444 1.00 0.57 H new ATOM 2419 N GLY A 148 9.608 -9.615 -1.756 1.00 0.27 N ATOM 2420 CA GLY A 148 8.482 -9.091 -2.515 1.00 0.27 C ATOM 2421 C GLY A 148 7.618 -10.223 -3.059 1.00 0.30 C ATOM 2422 O GLY A 148 8.101 -11.324 -3.319 1.00 0.37 O ATOM 0 H GLY A 148 10.520 -9.312 -2.098 1.00 0.27 H new ATOM 0 HA2 GLY A 148 7.880 -8.442 -1.879 1.00 0.27 H new ATOM 0 HA3 GLY A 148 8.848 -8.479 -3.339 1.00 0.27 H new ATOM 2426 N GLU A 149 6.319 -9.962 -3.208 1.00 0.30 N ATOM 2427 CA GLU A 149 5.399 -10.998 -3.636 1.00 0.31 C ATOM 2428 C GLU A 149 5.647 -11.346 -5.107 1.00 0.32 C ATOM 2429 O GLU A 149 6.385 -10.668 -5.822 1.00 0.47 O ATOM 2430 CB GLU A 149 3.936 -10.577 -3.409 1.00 0.38 C ATOM 2431 CG GLU A 149 3.204 -11.549 -2.471 1.00 0.82 C ATOM 2432 CD GLU A 149 3.352 -13.005 -2.905 1.00 0.74 C ATOM 2433 OE1 GLU A 149 2.764 -13.346 -3.952 1.00 1.65 O ATOM 2434 OE2 GLU A 149 4.130 -13.730 -2.253 1.00 1.89 O ATOM 0 H GLU A 149 5.891 -9.052 -3.039 1.00 0.30 H new ATOM 0 HA GLU A 149 5.579 -11.887 -3.031 1.00 0.31 H new ATOM 0 HB2 GLU A 149 3.908 -9.573 -2.986 1.00 0.38 H new ATOM 0 HB3 GLU A 149 3.417 -10.535 -4.366 1.00 0.38 H new ATOM 0 HG2 GLU A 149 3.592 -11.434 -1.459 1.00 0.82 H new ATOM 0 HG3 GLU A 149 2.146 -11.289 -2.438 1.00 0.82 H new ATOM 2441 N LYS A 150 5.003 -12.397 -5.598 1.00 0.28 N ATOM 2442 CA LYS A 150 5.231 -12.876 -6.942 1.00 0.36 C ATOM 2443 C LYS A 150 4.142 -12.253 -7.795 1.00 0.39 C ATOM 2444 O LYS A 150 2.985 -12.664 -7.737 1.00 0.51 O ATOM 2445 CB LYS A 150 5.226 -14.409 -6.943 1.00 0.52 C ATOM 2446 CG LYS A 150 6.092 -14.896 -5.773 1.00 1.69 C ATOM 2447 CD LYS A 150 6.376 -16.393 -5.802 1.00 2.18 C ATOM 2448 CE LYS A 150 6.690 -16.786 -4.356 1.00 3.63 C ATOM 2449 NZ LYS A 150 7.266 -18.142 -4.254 1.00 4.36 N ATOM 0 H LYS A 150 4.313 -12.934 -5.074 1.00 0.28 H new ATOM 0 HA LYS A 150 6.202 -12.591 -7.348 1.00 0.36 H new ATOM 0 HB2 LYS A 150 4.208 -14.785 -6.844 1.00 0.52 H new ATOM 0 HB3 LYS A 150 5.616 -14.789 -7.887 1.00 0.52 H new ATOM 0 HG2 LYS A 150 7.038 -14.355 -5.784 1.00 1.69 H new ATOM 0 HG3 LYS A 150 5.594 -14.648 -4.836 1.00 1.69 H new ATOM 0 HD2 LYS A 150 5.517 -16.947 -6.180 1.00 2.18 H new ATOM 0 HD3 LYS A 150 7.215 -16.619 -6.460 1.00 2.18 H new ATOM 0 HE2 LYS A 150 7.387 -16.065 -3.930 1.00 3.63 H new ATOM 0 HE3 LYS A 150 5.777 -16.736 -3.762 1.00 3.63 H new ATOM 0 HZ1 LYS A 150 7.461 -18.362 -3.256 1.00 4.36 H new ATOM 0 HZ2 LYS A 150 6.591 -18.835 -4.636 1.00 4.36 H new ATOM 0 HZ3 LYS A 150 8.151 -18.185 -4.798 1.00 4.36 H new ATOM 2463 N ARG A 151 4.490 -11.200 -8.533 1.00 0.39 N ATOM 2464 CA ARG A 151 3.505 -10.508 -9.348 1.00 0.45 C ATOM 2465 C ARG A 151 2.893 -11.508 -10.332 1.00 0.65 C ATOM 2466 O ARG A 151 3.559 -12.472 -10.712 1.00 0.81 O ATOM 2467 CB ARG A 151 4.148 -9.314 -10.071 1.00 0.62 C ATOM 2468 CG ARG A 151 5.037 -9.762 -11.249 1.00 1.07 C ATOM 2469 CD ARG A 151 5.558 -8.608 -12.109 1.00 1.12 C ATOM 2470 NE ARG A 151 5.370 -8.916 -13.541 1.00 2.12 N ATOM 2471 CZ ARG A 151 6.324 -9.148 -14.457 1.00 2.54 C ATOM 2472 NH1 ARG A 151 5.980 -9.401 -15.720 1.00 3.58 N ATOM 2473 NH2 ARG A 151 7.611 -9.140 -14.122 1.00 2.81 N ATOM 0 H ARG A 151 5.433 -10.815 -8.581 1.00 0.39 H new ATOM 0 HA ARG A 151 2.711 -10.106 -8.718 1.00 0.45 H new ATOM 0 HB2 ARG A 151 3.366 -8.649 -10.439 1.00 0.62 H new ATOM 0 HB3 ARG A 151 4.746 -8.741 -9.363 1.00 0.62 H new ATOM 0 HG2 ARG A 151 5.886 -10.322 -10.858 1.00 1.07 H new ATOM 0 HG3 ARG A 151 4.469 -10.445 -11.881 1.00 1.07 H new ATOM 0 HD2 ARG A 151 5.031 -7.688 -11.855 1.00 1.12 H new ATOM 0 HD3 ARG A 151 6.614 -8.438 -11.901 1.00 1.12 H new ATOM 0 HE ARG A 151 4.406 -8.957 -13.872 1.00 2.12 H new ATOM 0 HH11 ARG A 151 4.996 -9.418 -15.987 1.00 3.58 H new ATOM 0 HH12 ARG A 151 6.701 -9.578 -16.419 1.00 3.58 H new ATOM 0 HH21 ARG A 151 7.886 -8.956 -13.157 1.00 2.81 H new ATOM 0 HH22 ARG A 151 8.323 -9.318 -14.830 1.00 2.81 H new ATOM 2487 N PRO A 152 1.666 -11.272 -10.802 1.00 0.67 N ATOM 2488 CA PRO A 152 1.121 -12.087 -11.864 1.00 0.77 C ATOM 2489 C PRO A 152 1.931 -11.856 -13.140 1.00 0.87 C ATOM 2490 O PRO A 152 2.453 -10.763 -13.367 1.00 0.84 O ATOM 2491 CB PRO A 152 -0.341 -11.665 -12.006 1.00 0.70 C ATOM 2492 CG PRO A 152 -0.400 -10.259 -11.403 1.00 0.67 C ATOM 2493 CD PRO A 152 0.797 -10.166 -10.454 1.00 0.60 C ATOM 0 HA PRO A 152 1.175 -13.156 -11.656 1.00 0.77 H new ATOM 0 HB2 PRO A 152 -0.652 -11.661 -13.051 1.00 0.70 H new ATOM 0 HB3 PRO A 152 -1.004 -12.350 -11.478 1.00 0.70 H new ATOM 0 HG2 PRO A 152 -0.344 -9.497 -12.180 1.00 0.67 H new ATOM 0 HG3 PRO A 152 -1.337 -10.101 -10.869 1.00 0.67 H new ATOM 0 HD2 PRO A 152 1.313 -9.213 -10.568 1.00 0.60 H new ATOM 0 HD3 PRO A 152 0.477 -10.233 -9.414 1.00 0.60 H new ATOM 2501 N VAL A 153 2.021 -12.899 -13.969 1.00 1.14 N ATOM 2502 CA VAL A 153 2.661 -12.831 -15.277 1.00 1.31 C ATOM 2503 C VAL A 153 2.021 -11.724 -16.111 1.00 1.17 C ATOM 2504 O VAL A 153 2.742 -10.952 -16.746 1.00 1.31 O ATOM 2505 CB VAL A 153 2.621 -14.206 -15.972 1.00 1.74 C ATOM 2506 CG1 VAL A 153 3.504 -15.189 -15.192 1.00 2.17 C ATOM 2507 CG2 VAL A 153 1.210 -14.807 -16.094 1.00 1.93 C ATOM 0 H VAL A 153 1.647 -13.821 -13.745 1.00 1.14 H new ATOM 0 HA VAL A 153 3.714 -12.576 -15.158 1.00 1.31 H new ATOM 0 HB VAL A 153 2.985 -14.046 -16.987 1.00 1.74 H new ATOM 0 HG11 VAL A 153 3.480 -16.164 -15.678 1.00 2.17 H new ATOM 0 HG12 VAL A 153 4.529 -14.819 -15.170 1.00 2.17 H new ATOM 0 HG13 VAL A 153 3.131 -15.283 -14.172 1.00 2.17 H new ATOM 0 HG21 VAL A 153 1.268 -15.774 -16.594 1.00 1.93 H new ATOM 0 HG22 VAL A 153 0.783 -14.938 -15.100 1.00 1.93 H new ATOM 0 HG23 VAL A 153 0.578 -14.136 -16.675 1.00 1.93 H new ATOM 2517 N ASP A 154 0.690 -11.632 -16.016 1.00 1.25 N ATOM 2518 CA ASP A 154 -0.173 -10.709 -16.743 1.00 1.61 C ATOM 2519 C ASP A 154 -0.198 -11.033 -18.233 1.00 2.81 C ATOM 2520 O ASP A 154 -0.107 -12.245 -18.535 1.00 4.05 O ATOM 2521 CB ASP A 154 0.214 -9.259 -16.431 1.00 2.61 C ATOM 2522 CG ASP A 154 -0.962 -8.300 -16.585 1.00 3.42 C ATOM 2523 OD1 ASP A 154 -2.071 -8.671 -16.127 1.00 3.80 O ATOM 2524 OD2 ASP A 154 -0.717 -7.094 -16.828 1.00 4.74 O ATOM 2525 OXT ASP A 154 -0.343 -10.089 -19.037 1.00 3.68 O ATOM 0 H ASP A 154 0.160 -12.239 -15.391 1.00 1.25 H new ATOM 0 HA ASP A 154 -1.201 -10.834 -16.402 1.00 1.61 H new ATOM 0 HB2 ASP A 154 0.598 -9.199 -15.413 1.00 2.61 H new ATOM 0 HB3 ASP A 154 1.021 -8.950 -17.095 1.00 2.61 H new TER 2530 ASP A 154