USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 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 39 MET CE :methyl 134:sc= -0.302 (180deg=-1.19) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.7!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.647 K(o=-0.65,f=-0.015) USER MOD Single : A 4 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -9.45! C(o=-9.4!,f=-14!) USER MOD Single : A 21 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.98) USER MOD Single : A 24 MET CE :methyl -144:sc= -0.547 (180deg=-1.63!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= -1.13 (180deg=-2.56!) USER MOD Single : A 31 MET CE :methyl 178:sc= -11.5! (180deg=-11.6!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 33 TYR OH : rot -177:sc= -0.321 USER MOD Single : A 36 GLN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 37 TYR OH : rot 0:sc= -1.83 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -4.04! K(o=-4!,f=-0.25) USER MOD Single : A 46 GLN : amide:sc= -2.69! C(o=-2.7!,f=-0.97!) USER MOD Single : A 47 GLN : amide:sc= -3.03! C(o=-3!,f=-2.1!) USER MOD Single : A 49 GLN : amide:sc= -1.85! C(o=-1.8!,f=-4.3!) USER MOD Single : A 50 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-0.63) USER MOD Single : A 51 MET CE :methyl -165:sc= -2.13 (180deg=-3.02!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -50:sc= -3.93 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 80:sc= 0.0335 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.163 (180deg=-0.356) USER MOD Single : A 74 SER OG : rot 180:sc= -0.028 USER MOD Single : A 77 TYR OH : rot -110:sc= -3.48! USER MOD Single : A 79 MET CE :methyl -155:sc= -3.96 (180deg=-7.69!) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -3.5! (180deg=-3.84!) USER MOD Single : A 83 ASN : amide:sc= -3.73! C(o=-3.7!,f=-6.5!) USER MOD Single : A 86 THR OG1 : rot 41:sc= 0.137 USER MOD Single : A 89 THR OG1 : rot 46:sc= 0.031 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 ASN : amide:sc= -0.253 K(o=-0.25,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.376 2.962 -4.857 1.00 0.00 N ATOM 2 CA GLN A 1 5.732 2.784 -4.351 1.00 0.00 C ATOM 3 C GLN A 1 5.725 2.572 -2.840 1.00 0.00 C ATOM 4 O GLN A 1 5.945 3.508 -2.072 1.00 0.00 O ATOM 5 CB GLN A 1 6.594 3.997 -4.703 1.00 0.00 C ATOM 6 CG GLN A 1 7.588 3.732 -5.823 1.00 0.00 C ATOM 7 CD GLN A 1 7.136 4.303 -7.152 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.438 5.317 -7.200 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.531 3.655 -8.241 1.00 0.00 N ATOM 0 H1 GLN A 1 4.406 3.105 -5.887 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.811 2.116 -4.641 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.943 3.793 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 1 6.155 1.897 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 1 5.944 4.823 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.138 4.316 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.553 4.163 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.736 2.657 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.109 2.819 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.257 3.993 -9.163 1.00 0.00 H new ATOM 18 N ILE A 2 5.472 1.336 -2.423 1.00 0.00 N ATOM 19 CA ILE A 2 5.438 1.002 -1.004 1.00 0.00 C ATOM 20 C ILE A 2 6.046 -0.373 -0.749 1.00 0.00 C ATOM 21 O ILE A 2 5.569 -1.126 0.099 1.00 0.00 O ATOM 22 CB ILE A 2 3.999 1.024 -0.455 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.348 2.382 -0.726 1.00 0.00 C ATOM 24 CG2 ILE A 2 3.996 0.717 1.035 1.00 0.00 C ATOM 25 CD1 ILE A 2 3.997 3.524 0.025 1.00 0.00 C ATOM 0 H ILE A 2 5.288 0.550 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 2 6.027 1.759 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 2 3.419 0.255 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.391 2.590 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.294 2.331 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.972 0.736 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.425 -0.271 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.588 1.465 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.484 4.455 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.930 3.339 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.045 3.601 -0.265 1.00 0.00 H new ATOM 37 N ASN A 3 7.104 -0.692 -1.487 1.00 0.00 N ATOM 38 CA ASN A 3 7.780 -1.977 -1.340 1.00 0.00 C ATOM 39 C ASN A 3 9.260 -1.780 -1.028 1.00 0.00 C ATOM 40 O ASN A 3 9.719 -0.654 -0.837 1.00 0.00 O ATOM 41 CB ASN A 3 7.621 -2.809 -2.614 1.00 0.00 C ATOM 42 CG ASN A 3 6.209 -3.332 -2.791 1.00 0.00 C ATOM 43 OD1 ASN A 3 5.638 -3.253 -3.879 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.639 -3.870 -1.719 1.00 0.00 N ATOM 0 H ASN A 3 7.512 -0.079 -2.193 1.00 0.00 H new ATOM 0 HA ASN A 3 7.320 -2.509 -0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.891 -2.201 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.315 -3.649 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.690 -4.239 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.150 -3.914 -0.838 1.00 0.00 H new ATOM 51 N GLN A 4 10.001 -2.883 -0.979 1.00 0.00 N ATOM 52 CA GLN A 4 11.429 -2.831 -0.691 1.00 0.00 C ATOM 53 C GLN A 4 12.188 -2.147 -1.822 1.00 0.00 C ATOM 54 O GLN A 4 11.947 -2.418 -2.999 1.00 0.00 O ATOM 55 CB GLN A 4 11.978 -4.242 -0.472 1.00 0.00 C ATOM 56 CG GLN A 4 11.096 -5.107 0.414 1.00 0.00 C ATOM 57 CD GLN A 4 10.100 -5.929 -0.378 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.479 -6.806 -1.155 1.00 0.00 O ATOM 59 NE2 GLN A 4 8.816 -5.651 -0.186 1.00 0.00 N ATOM 0 H GLN A 4 9.636 -3.823 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 4 11.569 -2.249 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.098 -4.730 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.970 -4.172 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.724 -5.774 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.558 -4.471 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.545 -4.916 0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.100 -6.172 -0.692 1.00 0.00 H new ATOM 68 N VAL A 5 13.108 -1.258 -1.459 1.00 0.00 N ATOM 69 CA VAL A 5 13.903 -0.535 -2.444 1.00 0.00 C ATOM 70 C VAL A 5 15.395 -0.705 -2.178 1.00 0.00 C ATOM 71 O VAL A 5 15.823 -0.800 -1.027 1.00 0.00 O ATOM 72 CB VAL A 5 13.562 0.967 -2.448 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.072 1.176 -2.670 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.012 1.619 -1.150 1.00 0.00 C ATOM 0 H VAL A 5 13.321 -1.022 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 5 13.660 -0.958 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 5 14.098 1.441 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.850 2.243 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.783 0.746 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.513 0.689 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.763 2.680 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.506 1.144 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.090 1.501 -1.038 1.00 0.00 H new ATOM 84 N ARG A 6 16.181 -0.743 -3.248 1.00 0.00 N ATOM 85 CA ARG A 6 17.625 -0.902 -3.130 1.00 0.00 C ATOM 86 C ARG A 6 18.346 0.397 -3.476 1.00 0.00 C ATOM 87 O ARG A 6 18.276 0.894 -4.600 1.00 0.00 O ATOM 88 CB ARG A 6 18.112 -2.027 -4.046 1.00 0.00 C ATOM 89 CG ARG A 6 18.438 -3.315 -3.308 1.00 0.00 C ATOM 90 CD ARG A 6 19.283 -4.248 -4.162 1.00 0.00 C ATOM 91 NE ARG A 6 20.122 -5.124 -3.349 1.00 0.00 N ATOM 92 CZ ARG A 6 20.720 -6.213 -3.820 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.573 -6.556 -5.092 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.468 -6.960 -3.018 1.00 0.00 N ATOM 0 H ARG A 6 15.842 -0.666 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 6 17.853 -1.159 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.347 -2.231 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.000 -1.690 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.970 -3.082 -2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.513 -3.817 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.631 -4.853 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.913 -3.659 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 6 20.256 -4.887 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 6 20.000 -5.983 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.033 -7.392 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.584 -6.698 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.927 -7.796 -3.381 1.00 0.00 H new ATOM 108 N PRO A 7 19.055 0.962 -2.487 1.00 0.00 N ATOM 109 CA PRO A 7 19.802 2.211 -2.663 1.00 0.00 C ATOM 110 C PRO A 7 21.017 2.038 -3.567 1.00 0.00 C ATOM 111 O PRO A 7 22.013 1.428 -3.177 1.00 0.00 O ATOM 112 CB PRO A 7 20.241 2.565 -1.240 1.00 0.00 C ATOM 113 CG PRO A 7 20.276 1.261 -0.519 1.00 0.00 C ATOM 114 CD PRO A 7 19.182 0.425 -1.122 1.00 0.00 C ATOM 0 HA PRO A 7 19.199 2.982 -3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.219 3.046 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.543 3.258 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.246 0.777 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 7 20.116 1.402 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.443 -0.633 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.250 0.520 -0.565 1.00 0.00 H new ATOM 122 N LYS A 8 20.930 2.578 -4.778 1.00 0.00 N ATOM 123 CA LYS A 8 22.022 2.485 -5.739 1.00 0.00 C ATOM 124 C LYS A 8 23.281 3.156 -5.198 1.00 0.00 C ATOM 125 O LYS A 8 23.210 4.009 -4.312 1.00 0.00 O ATOM 126 CB LYS A 8 21.618 3.130 -7.067 1.00 0.00 C ATOM 127 CG LYS A 8 20.459 2.430 -7.754 1.00 0.00 C ATOM 128 CD LYS A 8 20.604 2.464 -9.266 1.00 0.00 C ATOM 129 CE LYS A 8 20.649 1.062 -9.855 1.00 0.00 C ATOM 130 NZ LYS A 8 19.308 0.615 -10.323 1.00 0.00 N ATOM 0 H LYS A 8 20.113 3.085 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 8 22.237 1.429 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.349 4.171 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.478 3.133 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.406 1.395 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.522 2.908 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.770 3.015 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.514 3.001 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.351 1.041 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.023 0.365 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.380 -0.345 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.644 0.611 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.962 1.266 -11.057 1.00 0.00 H new ATOM 144 N LEU A 9 24.431 2.767 -5.737 1.00 0.00 N ATOM 145 CA LEU A 9 25.706 3.333 -5.309 1.00 0.00 C ATOM 146 C LEU A 9 25.558 4.812 -4.966 1.00 0.00 C ATOM 147 O LEU A 9 25.823 5.243 -3.844 1.00 0.00 O ATOM 148 CB LEU A 9 26.759 3.154 -6.404 1.00 0.00 C ATOM 149 CG LEU A 9 26.277 2.496 -7.698 1.00 0.00 C ATOM 150 CD1 LEU A 9 27.212 2.832 -8.849 1.00 0.00 C ATOM 151 CD2 LEU A 9 26.166 0.989 -7.520 1.00 0.00 C ATOM 0 H LEU A 9 24.507 2.063 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 9 26.029 2.802 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.169 4.134 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.577 2.558 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 9 25.288 2.888 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.853 2.355 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.240 3.912 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 9 28.214 2.470 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 9 25.822 0.537 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 9 27.142 0.581 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 9 25.455 0.768 -6.724 1.00 0.00 H new ATOM 163 N PRO A 10 25.122 5.607 -5.954 1.00 0.00 N ATOM 164 CA PRO A 10 24.926 7.050 -5.780 1.00 0.00 C ATOM 165 C PRO A 10 23.745 7.369 -4.870 1.00 0.00 C ATOM 166 O PRO A 10 23.682 8.443 -4.271 1.00 0.00 O ATOM 167 CB PRO A 10 24.654 7.545 -7.203 1.00 0.00 C ATOM 168 CG PRO A 10 24.106 6.358 -7.918 1.00 0.00 C ATOM 169 CD PRO A 10 24.787 5.161 -7.316 1.00 0.00 C ATOM 0 HA PRO A 10 25.786 7.524 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.944 8.372 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.566 7.907 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.025 6.294 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.303 6.422 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.132 4.290 -7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.678 4.881 -7.878 1.00 0.00 H new ATOM 177 N LEU A 11 22.811 6.429 -4.769 1.00 0.00 N ATOM 178 CA LEU A 11 21.631 6.610 -3.931 1.00 0.00 C ATOM 179 C LEU A 11 21.902 6.147 -2.503 1.00 0.00 C ATOM 180 O LEU A 11 21.114 6.410 -1.594 1.00 0.00 O ATOM 181 CB LEU A 11 20.445 5.840 -4.513 1.00 0.00 C ATOM 182 CG LEU A 11 19.782 6.459 -5.744 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.529 5.684 -6.121 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.451 7.923 -5.493 1.00 0.00 C ATOM 0 H LEU A 11 22.848 5.534 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 11 21.390 7.673 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.781 4.836 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.690 5.732 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 11 20.483 6.404 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.070 6.139 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.794 4.650 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.824 5.707 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.980 8.347 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.768 8.002 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.367 8.471 -5.272 1.00 0.00 H new ATOM 196 N LEU A 12 23.022 5.458 -2.312 1.00 0.00 N ATOM 197 CA LEU A 12 23.399 4.960 -0.994 1.00 0.00 C ATOM 198 C LEU A 12 23.957 6.083 -0.126 1.00 0.00 C ATOM 199 O LEU A 12 23.643 6.181 1.060 1.00 0.00 O ATOM 200 CB LEU A 12 24.433 3.840 -1.127 1.00 0.00 C ATOM 201 CG LEU A 12 24.669 2.994 0.124 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.400 2.906 0.957 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.157 1.604 -0.257 1.00 0.00 C ATOM 0 H LEU A 12 23.685 5.232 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 12 22.504 4.565 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.121 3.179 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.383 4.283 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 12 25.440 3.476 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.588 2.300 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.094 3.907 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.607 2.448 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.320 1.015 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.409 1.114 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.092 1.686 -0.810 1.00 0.00 H new ATOM 215 N LYS A 13 24.785 6.932 -0.726 1.00 0.00 N ATOM 216 CA LYS A 13 25.385 8.051 -0.011 1.00 0.00 C ATOM 217 C LYS A 13 24.318 9.045 0.438 1.00 0.00 C ATOM 218 O LYS A 13 24.498 9.759 1.425 1.00 0.00 O ATOM 219 CB LYS A 13 26.414 8.757 -0.897 1.00 0.00 C ATOM 220 CG LYS A 13 27.176 7.815 -1.813 1.00 0.00 C ATOM 221 CD LYS A 13 26.815 8.041 -3.271 1.00 0.00 C ATOM 222 CE LYS A 13 27.671 9.134 -3.894 1.00 0.00 C ATOM 223 NZ LYS A 13 28.965 8.601 -4.403 1.00 0.00 N ATOM 0 H LYS A 13 25.056 6.866 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 13 25.886 7.658 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.906 9.507 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.124 9.287 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.248 7.961 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 13 26.957 6.783 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 13 26.946 7.113 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.762 8.313 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.124 9.602 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.864 9.911 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.520 9.376 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.499 8.177 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.782 7.878 -5.128 1.00 0.00 H new ATOM 237 N ILE A 14 23.208 9.084 -0.291 1.00 0.00 N ATOM 238 CA ILE A 14 22.112 9.988 0.035 1.00 0.00 C ATOM 239 C ILE A 14 21.547 9.690 1.420 1.00 0.00 C ATOM 240 O ILE A 14 21.494 10.568 2.282 1.00 0.00 O ATOM 241 CB ILE A 14 20.977 9.893 -1.002 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.533 10.068 -2.416 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.908 10.936 -0.713 1.00 0.00 C ATOM 244 CD1 ILE A 14 22.044 11.464 -2.696 1.00 0.00 C ATOM 0 H ILE A 14 23.044 8.500 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 14 22.521 10.998 0.022 1.00 0.00 H new ATOM 0 HB ILE A 14 20.521 8.905 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.343 9.356 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.753 9.824 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.113 10.857 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.495 10.768 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.349 11.932 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.423 11.515 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.231 12.180 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.846 11.704 -1.999 1.00 0.00 H new ATOM 256 N LEU A 15 21.128 8.447 1.626 1.00 0.00 N ATOM 257 CA LEU A 15 20.568 8.032 2.908 1.00 0.00 C ATOM 258 C LEU A 15 21.654 7.951 3.976 1.00 0.00 C ATOM 259 O LEU A 15 21.438 8.334 5.126 1.00 0.00 O ATOM 260 CB LEU A 15 19.873 6.676 2.768 1.00 0.00 C ATOM 261 CG LEU A 15 18.923 6.529 1.579 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.448 7.893 1.103 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.601 5.773 0.446 1.00 0.00 C ATOM 0 H LEU A 15 21.165 7.709 0.923 1.00 0.00 H new ATOM 0 HA LEU A 15 19.836 8.779 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.639 5.904 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.312 6.482 3.682 1.00 0.00 H new ATOM 0 HG LEU A 15 18.053 5.957 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.773 7.768 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.924 8.399 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.307 8.491 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.911 5.677 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.488 6.318 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.890 4.781 0.793 1.00 0.00 H new ATOM 275 N HIS A 16 22.823 7.452 3.588 1.00 0.00 N ATOM 276 CA HIS A 16 23.945 7.324 4.511 1.00 0.00 C ATOM 277 C HIS A 16 24.273 8.667 5.157 1.00 0.00 C ATOM 278 O HIS A 16 24.506 8.747 6.362 1.00 0.00 O ATOM 279 CB HIS A 16 25.174 6.781 3.782 1.00 0.00 C ATOM 280 CG HIS A 16 25.141 5.298 3.575 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.268 4.551 3.307 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.108 4.424 3.599 1.00 0.00 C ATOM 283 CE1 HIS A 16 25.930 3.281 3.173 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.624 3.177 3.346 1.00 0.00 N ATOM 0 H HIS A 16 23.018 7.129 2.640 1.00 0.00 H new ATOM 0 HA HIS A 16 23.660 6.624 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.258 7.273 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.067 7.040 4.350 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.215 4.921 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.071 4.663 3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.606 2.466 2.959 1.00 0.00 H new ATOM 292 N ALA A 17 24.291 9.720 4.345 1.00 0.00 N ATOM 293 CA ALA A 17 24.590 11.059 4.837 1.00 0.00 C ATOM 294 C ALA A 17 23.540 11.522 5.840 1.00 0.00 C ATOM 295 O ALA A 17 23.773 12.450 6.614 1.00 0.00 O ATOM 296 CB ALA A 17 24.683 12.039 3.677 1.00 0.00 C ATOM 0 H ALA A 17 24.102 9.671 3.344 1.00 0.00 H new ATOM 0 HA ALA A 17 25.552 11.025 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.907 13.035 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.475 11.725 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.734 12.061 3.142 1.00 0.00 H new ATOM 302 N ALA A 18 22.382 10.870 5.821 1.00 0.00 N ATOM 303 CA ALA A 18 21.296 11.215 6.731 1.00 0.00 C ATOM 304 C ALA A 18 21.284 10.294 7.946 1.00 0.00 C ATOM 305 O ALA A 18 20.427 10.414 8.820 1.00 0.00 O ATOM 306 CB ALA A 18 19.960 11.151 6.005 1.00 0.00 C ATOM 0 H ALA A 18 22.172 10.100 5.186 1.00 0.00 H new ATOM 0 HA ALA A 18 21.459 12.234 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.158 11.411 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.964 11.855 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.800 10.142 5.626 1.00 0.00 H new ATOM 312 N GLY A 19 22.242 9.373 7.994 1.00 0.00 N ATOM 313 CA GLY A 19 22.323 8.444 9.106 1.00 0.00 C ATOM 314 C GLY A 19 22.128 7.004 8.675 1.00 0.00 C ATOM 315 O GLY A 19 22.460 6.078 9.414 1.00 0.00 O ATOM 0 H GLY A 19 22.963 9.254 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.294 8.546 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.567 8.703 9.848 1.00 0.00 H new ATOM 319 N ALA A 20 21.586 6.816 7.477 1.00 0.00 N ATOM 320 CA ALA A 20 21.346 5.479 6.948 1.00 0.00 C ATOM 321 C ALA A 20 22.638 4.669 6.899 1.00 0.00 C ATOM 322 O ALA A 20 23.710 5.173 7.232 1.00 0.00 O ATOM 323 CB ALA A 20 20.720 5.562 5.564 1.00 0.00 C ATOM 0 H ALA A 20 21.305 7.573 6.854 1.00 0.00 H new ATOM 0 HA ALA A 20 20.653 4.970 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.547 4.556 5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.771 6.095 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.393 6.094 4.892 1.00 0.00 H new ATOM 329 N GLN A 21 22.527 3.412 6.481 1.00 0.00 N ATOM 330 CA GLN A 21 23.686 2.533 6.390 1.00 0.00 C ATOM 331 C GLN A 21 23.265 1.111 6.032 1.00 0.00 C ATOM 332 O GLN A 21 22.520 0.469 6.772 1.00 0.00 O ATOM 333 CB GLN A 21 24.457 2.532 7.711 1.00 0.00 C ATOM 334 CG GLN A 21 25.950 2.765 7.545 1.00 0.00 C ATOM 335 CD GLN A 21 26.392 4.116 8.072 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.896 4.224 9.190 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.205 5.155 7.267 1.00 0.00 N ATOM 0 H GLN A 21 21.647 2.980 6.200 1.00 0.00 H new ATOM 0 HA GLN A 21 24.335 2.910 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.047 3.305 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.300 1.577 8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.497 1.979 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.211 2.688 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.783 5.019 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.483 6.089 7.567 1.00 0.00 H new ATOM 346 N GLY A 22 23.747 0.625 4.892 1.00 0.00 N ATOM 347 CA GLY A 22 23.409 -0.717 4.456 1.00 0.00 C ATOM 348 C GLY A 22 23.207 -0.805 2.957 1.00 0.00 C ATOM 349 O GLY A 22 23.771 -0.016 2.200 1.00 0.00 O ATOM 0 H GLY A 22 24.365 1.137 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.202 -1.403 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.500 -1.042 4.962 1.00 0.00 H new ATOM 353 N GLU A 23 22.400 -1.770 2.526 1.00 0.00 N ATOM 354 CA GLU A 23 22.128 -1.960 1.106 1.00 0.00 C ATOM 355 C GLU A 23 20.685 -2.407 0.884 1.00 0.00 C ATOM 356 O GLU A 23 20.329 -2.874 -0.197 1.00 0.00 O ATOM 357 CB GLU A 23 23.089 -2.991 0.512 1.00 0.00 C ATOM 358 CG GLU A 23 24.553 -2.684 0.781 1.00 0.00 C ATOM 359 CD GLU A 23 25.479 -3.780 0.292 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.721 -3.851 -0.931 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.961 -4.568 1.133 1.00 0.00 O ATOM 0 H GLU A 23 21.924 -2.431 3.139 1.00 0.00 H new ATOM 0 HA GLU A 23 22.277 -1.004 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.852 -3.974 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.930 -3.046 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.819 -1.745 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.699 -2.541 1.852 1.00 0.00 H new ATOM 368 N MET A 24 19.861 -2.259 1.915 1.00 0.00 N ATOM 369 CA MET A 24 18.457 -2.646 1.833 1.00 0.00 C ATOM 370 C MET A 24 17.582 -1.696 2.644 1.00 0.00 C ATOM 371 O MET A 24 17.859 -1.426 3.813 1.00 0.00 O ATOM 372 CB MET A 24 18.272 -4.080 2.333 1.00 0.00 C ATOM 373 CG MET A 24 19.361 -4.536 3.291 1.00 0.00 C ATOM 374 SD MET A 24 20.891 -4.974 2.444 1.00 0.00 S ATOM 375 CE MET A 24 22.076 -4.802 3.776 1.00 0.00 C ATOM 0 H MET A 24 20.140 -1.874 2.817 1.00 0.00 H new ATOM 0 HA MET A 24 18.151 -2.590 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.305 -4.161 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.247 -4.754 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.563 -3.742 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.005 -5.396 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 24 23.013 -4.409 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.683 -4.117 4.527 1.00 0.00 H new ATOM 0 HE3 MET A 24 22.255 -5.776 4.232 1.00 0.00 H new ATOM 385 N PHE A 25 16.526 -1.190 2.016 1.00 0.00 N ATOM 386 CA PHE A 25 15.611 -0.269 2.680 1.00 0.00 C ATOM 387 C PHE A 25 14.287 -0.181 1.927 1.00 0.00 C ATOM 388 O PHE A 25 14.253 -0.231 0.697 1.00 0.00 O ATOM 389 CB PHE A 25 16.243 1.121 2.788 1.00 0.00 C ATOM 390 CG PHE A 25 17.636 1.104 3.347 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.719 0.803 2.537 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.864 1.388 4.684 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.003 0.787 3.049 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.145 1.374 5.202 1.00 0.00 C ATOM 395 CZ PHE A 25 20.216 1.072 4.383 1.00 0.00 C ATOM 0 H PHE A 25 16.283 -1.402 1.048 1.00 0.00 H new ATOM 0 HA PHE A 25 15.414 -0.650 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.262 1.580 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.614 1.749 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.558 0.578 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.030 1.623 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.838 0.552 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.309 1.599 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.218 1.059 4.786 1.00 0.00 H new ATOM 405 N THR A 26 13.195 -0.049 2.675 1.00 0.00 N ATOM 406 CA THR A 26 11.868 0.044 2.081 1.00 0.00 C ATOM 407 C THR A 26 11.530 1.484 1.714 1.00 0.00 C ATOM 408 O THR A 26 12.232 2.416 2.106 1.00 0.00 O ATOM 409 CB THR A 26 10.786 -0.499 3.033 1.00 0.00 C ATOM 410 OG1 THR A 26 11.391 -0.978 4.239 1.00 0.00 O ATOM 411 CG2 THR A 26 9.999 -1.621 2.375 1.00 0.00 C ATOM 0 H THR A 26 13.205 -0.004 3.694 1.00 0.00 H new ATOM 0 HA THR A 26 11.884 -0.565 1.177 1.00 0.00 H new ATOM 0 HB THR A 26 10.100 0.314 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.697 -1.320 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.241 -1.988 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.516 -1.246 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.675 -2.435 2.113 1.00 0.00 H new ATOM 419 N VAL A 27 10.449 1.660 0.960 1.00 0.00 N ATOM 420 CA VAL A 27 10.017 2.988 0.541 1.00 0.00 C ATOM 421 C VAL A 27 10.003 3.957 1.718 1.00 0.00 C ATOM 422 O VAL A 27 10.456 5.097 1.604 1.00 0.00 O ATOM 423 CB VAL A 27 8.613 2.947 -0.093 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.388 4.169 -0.970 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.427 1.666 -0.890 1.00 0.00 C ATOM 0 H VAL A 27 9.857 0.899 0.627 1.00 0.00 H new ATOM 0 HA VAL A 27 10.734 3.335 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 27 7.871 2.962 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.392 4.123 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.477 5.072 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.134 4.189 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.430 1.653 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.175 1.618 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.543 0.807 -0.230 1.00 0.00 H new ATOM 435 N LYS A 28 9.481 3.498 2.850 1.00 0.00 N ATOM 436 CA LYS A 28 9.409 4.323 4.050 1.00 0.00 C ATOM 437 C LYS A 28 10.803 4.611 4.596 1.00 0.00 C ATOM 438 O LYS A 28 11.114 5.744 4.962 1.00 0.00 O ATOM 439 CB LYS A 28 8.563 3.629 5.121 1.00 0.00 C ATOM 440 CG LYS A 28 7.160 4.195 5.249 1.00 0.00 C ATOM 441 CD LYS A 28 6.108 3.178 4.840 1.00 0.00 C ATOM 442 CE LYS A 28 6.494 2.465 3.552 1.00 0.00 C ATOM 443 NZ LYS A 28 7.056 1.111 3.815 1.00 0.00 N ATOM 0 H LYS A 28 9.101 2.558 2.962 1.00 0.00 H new ATOM 0 HA LYS A 28 8.940 5.270 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.497 2.566 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.069 3.713 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.985 4.506 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.068 5.085 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.978 2.446 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.149 3.678 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.618 2.376 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.227 3.064 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.908 0.970 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.304 1.028 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.349 0.388 3.572 1.00 0.00 H new ATOM 457 N GLU A 29 11.639 3.579 4.647 1.00 0.00 N ATOM 458 CA GLU A 29 13.001 3.723 5.149 1.00 0.00 C ATOM 459 C GLU A 29 13.759 4.790 4.364 1.00 0.00 C ATOM 460 O GLU A 29 14.358 5.696 4.945 1.00 0.00 O ATOM 461 CB GLU A 29 13.744 2.388 5.064 1.00 0.00 C ATOM 462 CG GLU A 29 13.324 1.390 6.130 1.00 0.00 C ATOM 463 CD GLU A 29 13.602 1.885 7.535 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.764 1.783 7.981 1.00 0.00 O ATOM 465 OE2 GLU A 29 12.658 2.376 8.190 1.00 0.00 O ATOM 0 H GLU A 29 11.398 2.634 4.347 1.00 0.00 H new ATOM 0 HA GLU A 29 12.946 4.034 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.575 1.949 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.815 2.571 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.259 1.181 6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.851 0.449 5.969 1.00 0.00 H new ATOM 472 N VAL A 30 13.729 4.676 3.040 1.00 0.00 N ATOM 473 CA VAL A 30 14.412 5.630 2.175 1.00 0.00 C ATOM 474 C VAL A 30 13.830 7.030 2.332 1.00 0.00 C ATOM 475 O VAL A 30 14.561 7.997 2.544 1.00 0.00 O ATOM 476 CB VAL A 30 14.321 5.211 0.695 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.760 6.352 -0.211 1.00 0.00 C ATOM 478 CG2 VAL A 30 15.157 3.966 0.441 1.00 0.00 C ATOM 0 H VAL A 30 13.239 3.932 2.543 1.00 0.00 H new ATOM 0 HA VAL A 30 15.459 5.639 2.479 1.00 0.00 H new ATOM 0 HB VAL A 30 13.282 4.976 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.689 6.038 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.115 7.215 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.791 6.622 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.081 3.685 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.199 4.171 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.791 3.149 1.063 1.00 0.00 H new ATOM 488 N MET A 31 12.509 7.130 2.229 1.00 0.00 N ATOM 489 CA MET A 31 11.828 8.413 2.362 1.00 0.00 C ATOM 490 C MET A 31 12.127 9.050 3.715 1.00 0.00 C ATOM 491 O MET A 31 12.155 10.274 3.844 1.00 0.00 O ATOM 492 CB MET A 31 10.318 8.233 2.192 1.00 0.00 C ATOM 493 CG MET A 31 9.530 8.477 3.469 1.00 0.00 C ATOM 494 SD MET A 31 9.377 10.229 3.866 1.00 0.00 S ATOM 495 CE MET A 31 8.659 10.859 2.352 1.00 0.00 C ATOM 0 H MET A 31 11.889 6.339 2.054 1.00 0.00 H new ATOM 0 HA MET A 31 12.198 9.075 1.579 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.964 8.916 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.118 7.221 1.839 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.535 8.043 3.366 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.018 7.962 4.297 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.471 11.928 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.348 10.690 1.525 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.720 10.343 2.153 1.00 0.00 H new ATOM 505 N HIS A 32 12.349 8.211 4.722 1.00 0.00 N ATOM 506 CA HIS A 32 12.646 8.693 6.067 1.00 0.00 C ATOM 507 C HIS A 32 14.021 9.352 6.116 1.00 0.00 C ATOM 508 O HIS A 32 14.256 10.263 6.910 1.00 0.00 O ATOM 509 CB HIS A 32 12.585 7.540 7.070 1.00 0.00 C ATOM 510 CG HIS A 32 12.180 7.966 8.447 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.071 7.464 9.095 1.00 0.00 N ATOM 512 CD2 HIS A 32 12.744 8.852 9.302 1.00 0.00 C ATOM 513 CE1 HIS A 32 10.970 8.023 10.288 1.00 0.00 C ATOM 514 NE2 HIS A 32 11.973 8.869 10.438 1.00 0.00 N ATOM 0 H HIS A 32 12.329 7.195 4.633 1.00 0.00 H new ATOM 0 HA HIS A 32 11.895 9.437 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.880 6.791 6.708 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.562 7.060 7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.634 9.436 9.123 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.198 7.822 11.017 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.147 9.442 11.264 1.00 0.00 H new ATOM 522 N TYR A 33 14.926 8.886 5.262 1.00 0.00 N ATOM 523 CA TYR A 33 16.279 9.429 5.211 1.00 0.00 C ATOM 524 C TYR A 33 16.294 10.788 4.519 1.00 0.00 C ATOM 525 O TYR A 33 17.115 11.651 4.837 1.00 0.00 O ATOM 526 CB TYR A 33 17.211 8.461 4.480 1.00 0.00 C ATOM 527 CG TYR A 33 17.582 7.244 5.296 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.180 7.375 6.543 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.334 5.962 4.820 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.521 6.266 7.292 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.671 4.847 5.563 1.00 0.00 C ATOM 532 CZ TYR A 33 18.264 5.004 6.798 1.00 0.00 C ATOM 533 OH TYR A 33 18.602 3.896 7.541 1.00 0.00 O ATOM 0 H TYR A 33 14.748 8.134 4.596 1.00 0.00 H new ATOM 0 HA TYR A 33 16.631 9.559 6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.732 8.136 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.121 8.990 4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.382 8.361 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.870 5.835 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.986 6.386 8.259 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.471 3.858 5.179 1.00 0.00 H new ATOM 0 HH TYR A 33 18.397 3.085 7.031 1.00 0.00 H new ATOM 543 N LEU A 34 15.381 10.974 3.573 1.00 0.00 N ATOM 544 CA LEU A 34 15.288 12.229 2.835 1.00 0.00 C ATOM 545 C LEU A 34 15.255 13.419 3.788 1.00 0.00 C ATOM 546 O LEU A 34 16.047 14.352 3.660 1.00 0.00 O ATOM 547 CB LEU A 34 14.038 12.233 1.953 1.00 0.00 C ATOM 548 CG LEU A 34 14.282 12.181 0.444 1.00 0.00 C ATOM 549 CD1 LEU A 34 15.117 13.371 -0.003 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.961 10.875 0.058 1.00 0.00 C ATOM 0 H LEU A 34 14.694 10.272 3.298 1.00 0.00 H new ATOM 0 HA LEU A 34 16.172 12.317 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.419 11.380 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.462 13.131 2.177 1.00 0.00 H new ATOM 0 HG LEU A 34 13.318 12.229 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.280 13.317 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.592 14.295 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.078 13.355 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.127 10.856 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.918 10.796 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.325 10.036 0.342 1.00 0.00 H new ATOM 562 N GLY A 35 14.333 13.379 4.745 1.00 0.00 N ATOM 563 CA GLY A 35 14.216 14.460 5.707 1.00 0.00 C ATOM 564 C GLY A 35 15.530 14.765 6.400 1.00 0.00 C ATOM 565 O GLY A 35 15.931 15.924 6.499 1.00 0.00 O ATOM 0 H GLY A 35 13.665 12.618 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.860 15.357 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.467 14.198 6.454 1.00 0.00 H new ATOM 569 N GLN A 36 16.200 13.722 6.880 1.00 0.00 N ATOM 570 CA GLN A 36 17.474 13.886 7.569 1.00 0.00 C ATOM 571 C GLN A 36 18.511 14.525 6.651 1.00 0.00 C ATOM 572 O GLN A 36 19.294 15.373 7.079 1.00 0.00 O ATOM 573 CB GLN A 36 17.984 12.534 8.070 1.00 0.00 C ATOM 574 CG GLN A 36 17.126 11.929 9.169 1.00 0.00 C ATOM 575 CD GLN A 36 17.674 12.202 10.555 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.023 12.847 11.377 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.879 11.710 10.823 1.00 0.00 N ATOM 0 H GLN A 36 15.882 12.756 6.804 1.00 0.00 H new ATOM 0 HA GLN A 36 17.315 14.546 8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.029 11.839 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.002 12.654 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.115 12.330 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.054 10.852 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.384 11.181 10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.299 11.861 11.740 1.00 0.00 H new ATOM 586 N TYR A 37 18.510 14.113 5.388 1.00 0.00 N ATOM 587 CA TYR A 37 19.452 14.644 4.410 1.00 0.00 C ATOM 588 C TYR A 37 19.254 16.145 4.222 1.00 0.00 C ATOM 589 O TYR A 37 20.217 16.913 4.214 1.00 0.00 O ATOM 590 CB TYR A 37 19.288 13.924 3.071 1.00 0.00 C ATOM 591 CG TYR A 37 20.256 14.395 2.008 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.584 13.987 2.020 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.841 15.247 0.992 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.471 14.416 1.052 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.721 15.679 0.018 1.00 0.00 C ATOM 596 CZ TYR A 37 22.035 15.261 0.053 1.00 0.00 C ATOM 597 OH TYR A 37 22.916 15.689 -0.914 1.00 0.00 O ATOM 0 H TYR A 37 17.867 13.413 5.018 1.00 0.00 H new ATOM 0 HA TYR A 37 20.461 14.474 4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.423 12.853 3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.269 14.069 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.929 13.323 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.813 15.577 0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.501 14.091 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.382 16.340 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 37 23.801 15.303 -0.745 1.00 0.00 H new ATOM 607 N ILE A 38 17.999 16.555 4.072 1.00 0.00 N ATOM 608 CA ILE A 38 17.674 17.964 3.885 1.00 0.00 C ATOM 609 C ILE A 38 18.106 18.792 5.090 1.00 0.00 C ATOM 610 O ILE A 38 18.745 19.833 4.944 1.00 0.00 O ATOM 611 CB ILE A 38 16.165 18.167 3.651 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.684 17.288 2.494 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.865 19.631 3.370 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.178 17.185 2.400 1.00 0.00 C ATOM 0 H ILE A 38 17.191 15.932 4.076 1.00 0.00 H new ATOM 0 HA ILE A 38 18.219 18.299 3.003 1.00 0.00 H new ATOM 0 HB ILE A 38 15.629 17.873 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.072 17.689 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.102 16.288 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.795 19.758 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.177 20.236 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.408 19.949 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.909 16.547 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.784 16.755 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.754 18.178 2.253 1.00 0.00 H new ATOM 626 N MET A 39 17.753 18.321 6.282 1.00 0.00 N ATOM 627 CA MET A 39 18.107 19.017 7.514 1.00 0.00 C ATOM 628 C MET A 39 19.621 19.069 7.693 1.00 0.00 C ATOM 629 O MET A 39 20.158 20.033 8.239 1.00 0.00 O ATOM 630 CB MET A 39 17.463 18.327 8.718 1.00 0.00 C ATOM 631 CG MET A 39 18.461 17.613 9.615 1.00 0.00 C ATOM 632 SD MET A 39 19.383 18.749 10.669 1.00 0.00 S ATOM 633 CE MET A 39 18.057 19.467 11.635 1.00 0.00 C ATOM 0 H MET A 39 17.223 17.461 6.421 1.00 0.00 H new ATOM 0 HA MET A 39 17.731 20.038 7.446 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.924 19.070 9.307 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.726 17.607 8.362 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.932 16.892 10.239 1.00 0.00 H new ATOM 0 HG3 MET A 39 19.159 17.048 8.998 1.00 0.00 H new ATOM 0 HE1 MET A 39 18.341 19.482 12.687 1.00 0.00 H new ATOM 0 HE2 MET A 39 17.869 20.485 11.295 1.00 0.00 H new ATOM 0 HE3 MET A 39 17.153 18.871 11.511 1.00 0.00 H new ATOM 643 N VAL A 40 20.304 18.027 7.230 1.00 0.00 N ATOM 644 CA VAL A 40 21.756 17.955 7.338 1.00 0.00 C ATOM 645 C VAL A 40 22.427 18.945 6.392 1.00 0.00 C ATOM 646 O VAL A 40 23.429 19.571 6.739 1.00 0.00 O ATOM 647 CB VAL A 40 22.272 16.537 7.030 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.978 16.507 5.683 1.00 0.00 C ATOM 649 CG2 VAL A 40 23.198 16.056 8.137 1.00 0.00 C ATOM 0 H VAL A 40 19.875 17.221 6.776 1.00 0.00 H new ATOM 0 HA VAL A 40 22.010 18.210 8.367 1.00 0.00 H new ATOM 0 HB VAL A 40 21.419 15.861 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.336 15.497 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.281 16.807 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.823 17.195 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.554 15.052 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.049 16.732 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.656 16.038 9.083 1.00 0.00 H new ATOM 659 N LYS A 41 21.868 19.084 5.195 1.00 0.00 N ATOM 660 CA LYS A 41 22.410 19.999 4.198 1.00 0.00 C ATOM 661 C LYS A 41 21.899 21.418 4.427 1.00 0.00 C ATOM 662 O LYS A 41 22.454 22.379 3.896 1.00 0.00 O ATOM 663 CB LYS A 41 22.035 19.532 2.790 1.00 0.00 C ATOM 664 CG LYS A 41 23.013 18.529 2.201 1.00 0.00 C ATOM 665 CD LYS A 41 24.383 19.149 1.981 1.00 0.00 C ATOM 666 CE LYS A 41 25.406 18.603 2.964 1.00 0.00 C ATOM 667 NZ LYS A 41 26.723 19.285 2.831 1.00 0.00 N ATOM 0 H LYS A 41 21.039 18.574 4.891 1.00 0.00 H new ATOM 0 HA LYS A 41 23.496 20.002 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.041 19.085 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.977 20.399 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.103 17.672 2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.625 18.155 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.714 18.950 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.315 20.232 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.034 18.727 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.533 17.533 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.393 18.884 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.090 19.146 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.607 20.302 3.014 1.00 0.00 H new ATOM 681 N GLN A 42 20.841 21.540 5.221 1.00 0.00 N ATOM 682 CA GLN A 42 20.257 22.842 5.520 1.00 0.00 C ATOM 683 C GLN A 42 19.639 23.461 4.271 1.00 0.00 C ATOM 684 O GLN A 42 20.125 24.472 3.761 1.00 0.00 O ATOM 685 CB GLN A 42 21.318 23.780 6.098 1.00 0.00 C ATOM 686 CG GLN A 42 21.250 23.918 7.610 1.00 0.00 C ATOM 687 CD GLN A 42 22.215 22.991 8.325 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.707 23.306 9.409 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.489 21.842 7.720 1.00 0.00 N ATOM 0 H GLN A 42 20.371 20.754 5.669 1.00 0.00 H new ATOM 0 HA GLN A 42 19.469 22.698 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.306 23.413 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.205 24.765 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.470 24.949 7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.234 23.707 7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.058 21.623 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.131 21.178 8.153 1.00 0.00 H new ATOM 698 N LEU A 43 18.566 22.850 3.783 1.00 0.00 N ATOM 699 CA LEU A 43 17.881 23.341 2.592 1.00 0.00 C ATOM 700 C LEU A 43 16.369 23.354 2.799 1.00 0.00 C ATOM 701 O LEU A 43 15.634 22.638 2.120 1.00 0.00 O ATOM 702 CB LEU A 43 18.234 22.474 1.382 1.00 0.00 C ATOM 703 CG LEU A 43 19.614 22.710 0.767 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.380 21.401 0.658 1.00 0.00 C ATOM 705 CD2 LEU A 43 19.483 23.370 -0.598 1.00 0.00 C ATOM 0 H LEU A 43 18.151 22.013 4.193 1.00 0.00 H new ATOM 0 HA LEU A 43 18.213 24.363 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.164 21.427 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.482 22.638 0.611 1.00 0.00 H new ATOM 0 HG LEU A 43 20.173 23.380 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.360 21.588 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 43 20.505 20.969 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.826 20.707 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.475 23.531 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.906 22.725 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.974 24.328 -0.492 1.00 0.00 H new ATOM 717 N TYR A 44 15.914 24.174 3.740 1.00 0.00 N ATOM 718 CA TYR A 44 14.490 24.280 4.037 1.00 0.00 C ATOM 719 C TYR A 44 14.166 25.627 4.675 1.00 0.00 C ATOM 720 O TYR A 44 15.063 26.379 5.055 1.00 0.00 O ATOM 721 CB TYR A 44 14.056 23.145 4.966 1.00 0.00 C ATOM 722 CG TYR A 44 14.884 23.044 6.227 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.169 22.517 6.197 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.381 23.477 7.448 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.929 22.423 7.347 1.00 0.00 C ATOM 726 CE2 TYR A 44 15.135 23.387 8.603 1.00 0.00 C ATOM 727 CZ TYR A 44 16.408 22.859 8.547 1.00 0.00 C ATOM 728 OH TYR A 44 17.162 22.768 9.694 1.00 0.00 O ATOM 0 H TYR A 44 16.510 24.775 4.310 1.00 0.00 H new ATOM 0 HA TYR A 44 13.942 24.202 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.011 23.290 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.117 22.201 4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.581 22.175 5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.384 23.891 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.926 22.010 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.730 23.728 9.544 1.00 0.00 H new ATOM 0 HH TYR A 44 16.649 23.119 10.451 1.00 0.00 H new ATOM 738 N ASP A 45 12.876 25.925 4.789 1.00 0.00 N ATOM 739 CA ASP A 45 12.431 27.180 5.382 1.00 0.00 C ATOM 740 C ASP A 45 12.144 27.007 6.870 1.00 0.00 C ATOM 741 O ASP A 45 11.111 26.459 7.253 1.00 0.00 O ATOM 742 CB ASP A 45 11.180 27.692 4.665 1.00 0.00 C ATOM 743 CG ASP A 45 10.480 28.793 5.438 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.180 29.670 5.985 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.232 28.776 5.496 1.00 0.00 O ATOM 0 H ASP A 45 12.121 25.314 4.478 1.00 0.00 H new ATOM 0 HA ASP A 45 13.231 27.911 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.457 28.064 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.488 26.864 4.511 1.00 0.00 H new ATOM 750 N GLN A 46 13.067 27.476 7.704 1.00 0.00 N ATOM 751 CA GLN A 46 12.914 27.371 9.150 1.00 0.00 C ATOM 752 C GLN A 46 11.529 27.837 9.586 1.00 0.00 C ATOM 753 O GLN A 46 11.034 27.440 10.640 1.00 0.00 O ATOM 754 CB GLN A 46 13.990 28.195 9.859 1.00 0.00 C ATOM 755 CG GLN A 46 15.397 27.924 9.351 1.00 0.00 C ATOM 756 CD GLN A 46 15.785 28.828 8.198 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.052 30.015 8.387 1.00 0.00 O ATOM 758 NE2 GLN A 46 15.819 28.270 6.993 1.00 0.00 N ATOM 0 H GLN A 46 13.928 27.932 7.403 1.00 0.00 H new ATOM 0 HA GLN A 46 13.028 26.323 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.765 29.254 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.952 27.984 10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.106 28.058 10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.470 26.884 9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.590 27.282 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.074 28.829 6.179 1.00 0.00 H new ATOM 767 N GLN A 47 10.910 28.683 8.768 1.00 0.00 N ATOM 768 CA GLN A 47 9.583 29.204 9.071 1.00 0.00 C ATOM 769 C GLN A 47 8.504 28.187 8.715 1.00 0.00 C ATOM 770 O GLN A 47 7.454 28.133 9.354 1.00 0.00 O ATOM 771 CB GLN A 47 9.339 30.510 8.312 1.00 0.00 C ATOM 772 CG GLN A 47 10.226 31.655 8.773 1.00 0.00 C ATOM 773 CD GLN A 47 11.629 31.202 9.124 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.027 31.220 10.289 1.00 0.00 O ATOM 775 NE2 GLN A 47 12.390 30.793 8.115 1.00 0.00 N ATOM 0 H GLN A 47 11.306 29.022 7.891 1.00 0.00 H new ATOM 0 HA GLN A 47 9.533 29.399 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.504 30.339 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.295 30.800 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.278 32.409 7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.774 32.132 9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.020 30.794 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.344 30.478 8.291 1.00 0.00 H new ATOM 784 N GLU A 48 8.771 27.381 7.692 1.00 0.00 N ATOM 785 CA GLU A 48 7.822 26.366 7.251 1.00 0.00 C ATOM 786 C GLU A 48 8.534 25.052 6.945 1.00 0.00 C ATOM 787 O GLU A 48 8.871 24.770 5.796 1.00 0.00 O ATOM 788 CB GLU A 48 7.064 26.849 6.012 1.00 0.00 C ATOM 789 CG GLU A 48 6.139 28.023 6.283 1.00 0.00 C ATOM 790 CD GLU A 48 4.975 28.086 5.313 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.105 27.542 4.196 1.00 0.00 O ATOM 792 OE2 GLU A 48 3.936 28.677 5.671 1.00 0.00 O ATOM 0 H GLU A 48 9.637 27.411 7.153 1.00 0.00 H new ATOM 0 HA GLU A 48 7.111 26.194 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.784 27.134 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.479 26.022 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.755 27.951 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.708 28.951 6.222 1.00 0.00 H new ATOM 799 N GLN A 49 8.758 24.252 7.983 1.00 0.00 N ATOM 800 CA GLN A 49 9.431 22.968 7.826 1.00 0.00 C ATOM 801 C GLN A 49 8.817 22.169 6.681 1.00 0.00 C ATOM 802 O GLN A 49 9.460 21.285 6.113 1.00 0.00 O ATOM 803 CB GLN A 49 9.350 22.164 9.125 1.00 0.00 C ATOM 804 CG GLN A 49 10.324 22.635 10.193 1.00 0.00 C ATOM 805 CD GLN A 49 9.674 23.552 11.211 1.00 0.00 C ATOM 806 OE1 GLN A 49 8.469 23.477 11.451 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.472 24.424 11.816 1.00 0.00 N ATOM 0 H GLN A 49 8.483 24.470 8.941 1.00 0.00 H new ATOM 0 HA GLN A 49 10.478 23.161 7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.335 22.225 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.544 21.114 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.743 21.769 10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.155 23.157 9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.465 24.451 11.586 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.092 25.067 12.511 1.00 0.00 H new ATOM 816 N HIS A 50 7.571 22.485 6.346 1.00 0.00 N ATOM 817 CA HIS A 50 6.870 21.796 5.268 1.00 0.00 C ATOM 818 C HIS A 50 7.119 22.487 3.930 1.00 0.00 C ATOM 819 O HIS A 50 6.285 22.430 3.027 1.00 0.00 O ATOM 820 CB HIS A 50 5.370 21.744 5.557 1.00 0.00 C ATOM 821 CG HIS A 50 4.673 23.053 5.345 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.444 23.957 6.360 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.156 23.609 4.224 1.00 0.00 C ATOM 824 CE1 HIS A 50 3.814 25.011 5.875 1.00 0.00 C ATOM 825 NE2 HIS A 50 3.628 24.825 4.580 1.00 0.00 N ATOM 0 H HIS A 50 7.025 23.214 6.805 1.00 0.00 H new ATOM 0 HA HIS A 50 7.256 20.778 5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.911 20.990 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.218 21.424 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.159 23.176 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.504 25.877 6.440 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.167 25.479 3.948 1.00 0.00 H new ATOM 833 N MET A 51 8.271 23.139 3.812 1.00 0.00 N ATOM 834 CA MET A 51 8.629 23.840 2.584 1.00 0.00 C ATOM 835 C MET A 51 10.130 23.756 2.328 1.00 0.00 C ATOM 836 O MET A 51 10.875 24.689 2.631 1.00 0.00 O ATOM 837 CB MET A 51 8.194 25.305 2.663 1.00 0.00 C ATOM 838 CG MET A 51 6.710 25.513 2.408 1.00 0.00 C ATOM 839 SD MET A 51 6.201 24.951 0.772 1.00 0.00 S ATOM 840 CE MET A 51 7.709 25.206 -0.158 1.00 0.00 C ATOM 0 H MET A 51 8.972 23.197 4.551 1.00 0.00 H new ATOM 0 HA MET A 51 8.110 23.358 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.443 25.697 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.764 25.884 1.937 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.137 24.979 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.472 26.571 2.515 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.490 25.162 -1.225 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.127 26.182 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.429 24.429 0.097 1.00 0.00 H new ATOM 850 N VAL A 52 10.569 22.633 1.769 1.00 0.00 N ATOM 851 CA VAL A 52 11.981 22.428 1.471 1.00 0.00 C ATOM 852 C VAL A 52 12.443 23.341 0.341 1.00 0.00 C ATOM 853 O VAL A 52 11.712 23.571 -0.623 1.00 0.00 O ATOM 854 CB VAL A 52 12.267 20.965 1.084 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.712 20.803 0.639 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.950 20.035 2.245 1.00 0.00 C ATOM 0 H VAL A 52 9.966 21.851 1.513 1.00 0.00 H new ATOM 0 HA VAL A 52 12.534 22.670 2.379 1.00 0.00 H new ATOM 0 HB VAL A 52 11.622 20.696 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.895 19.763 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.900 21.440 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.378 21.090 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.158 19.005 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.567 20.301 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.897 20.131 2.511 1.00 0.00 H new ATOM 866 N TYR A 53 13.660 23.859 0.466 1.00 0.00 N ATOM 867 CA TYR A 53 14.219 24.749 -0.545 1.00 0.00 C ATOM 868 C TYR A 53 15.368 24.075 -1.289 1.00 0.00 C ATOM 869 O TYR A 53 16.532 24.440 -1.119 1.00 0.00 O ATOM 870 CB TYR A 53 14.707 26.046 0.102 1.00 0.00 C ATOM 871 CG TYR A 53 13.640 27.112 0.201 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.821 27.406 -0.882 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.449 27.824 1.379 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.845 28.380 -0.796 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.475 28.799 1.475 1.00 0.00 C ATOM 876 CZ TYR A 53 11.675 29.073 0.385 1.00 0.00 C ATOM 877 OH TYR A 53 10.703 30.043 0.475 1.00 0.00 O ATOM 0 H TYR A 53 14.278 23.678 1.257 1.00 0.00 H new ATOM 0 HA TYR A 53 13.433 24.982 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.082 25.825 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.546 26.436 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.950 26.864 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.073 27.611 2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.219 28.598 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.341 29.344 2.398 1.00 0.00 H new ATOM 0 HH TYR A 53 10.714 30.435 1.373 1.00 0.00 H new ATOM 887 N CYS A 54 15.032 23.089 -2.113 1.00 0.00 N ATOM 888 CA CYS A 54 16.035 22.362 -2.884 1.00 0.00 C ATOM 889 C CYS A 54 17.127 23.304 -3.380 1.00 0.00 C ATOM 890 O CYS A 54 18.311 22.970 -3.348 1.00 0.00 O ATOM 891 CB CYS A 54 15.380 21.652 -4.070 1.00 0.00 C ATOM 892 SG CYS A 54 15.640 22.475 -5.659 1.00 0.00 S ATOM 0 H CYS A 54 14.074 22.774 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 54 16.491 21.618 -2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.769 20.636 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.309 21.572 -3.885 1.00 0.00 H new ATOM 0 HG CYS A 54 15.341 23.735 -5.549 1.00 0.00 H new ATOM 898 N GLY A 55 16.721 24.483 -3.841 1.00 0.00 N ATOM 899 CA GLY A 55 17.677 25.455 -4.339 1.00 0.00 C ATOM 900 C GLY A 55 18.520 24.909 -5.474 1.00 0.00 C ATOM 901 O GLY A 55 18.224 25.143 -6.645 1.00 0.00 O ATOM 0 H GLY A 55 15.747 24.783 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.144 26.342 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.329 25.769 -3.524 1.00 0.00 H new ATOM 905 N GLY A 56 19.576 24.179 -5.127 1.00 0.00 N ATOM 906 CA GLY A 56 20.450 23.611 -6.137 1.00 0.00 C ATOM 907 C GLY A 56 21.310 22.487 -5.595 1.00 0.00 C ATOM 908 O GLY A 56 22.373 22.191 -6.141 1.00 0.00 O ATOM 0 H GLY A 56 19.842 23.971 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.848 23.237 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.093 24.394 -6.539 1.00 0.00 H new ATOM 912 N ASP A 57 20.851 21.861 -4.517 1.00 0.00 N ATOM 913 CA ASP A 57 21.586 20.763 -3.900 1.00 0.00 C ATOM 914 C ASP A 57 21.202 19.429 -4.531 1.00 0.00 C ATOM 915 O ASP A 57 20.391 19.378 -5.457 1.00 0.00 O ATOM 916 CB ASP A 57 21.319 20.725 -2.394 1.00 0.00 C ATOM 917 CG ASP A 57 22.513 21.184 -1.582 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.085 22.243 -1.915 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.877 20.484 -0.613 1.00 0.00 O ATOM 0 H ASP A 57 19.974 22.095 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 57 22.650 20.931 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.462 21.358 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.053 19.709 -2.101 1.00 0.00 H new ATOM 924 N LEU A 58 21.790 18.350 -4.026 1.00 0.00 N ATOM 925 CA LEU A 58 21.511 17.014 -4.542 1.00 0.00 C ATOM 926 C LEU A 58 20.010 16.797 -4.705 1.00 0.00 C ATOM 927 O LEU A 58 19.547 16.356 -5.758 1.00 0.00 O ATOM 928 CB LEU A 58 22.092 15.953 -3.606 1.00 0.00 C ATOM 929 CG LEU A 58 22.757 14.753 -4.282 1.00 0.00 C ATOM 930 CD1 LEU A 58 23.570 13.955 -3.274 1.00 0.00 C ATOM 931 CD2 LEU A 58 21.712 13.870 -4.947 1.00 0.00 C ATOM 0 H LEU A 58 22.463 18.374 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 58 21.982 16.923 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.826 16.432 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.291 15.585 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 58 23.434 15.123 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.036 13.105 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.343 14.592 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.914 13.595 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.203 13.021 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.010 13.509 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.174 14.447 -5.699 1.00 0.00 H new ATOM 943 N LEU A 59 19.255 17.111 -3.659 1.00 0.00 N ATOM 944 CA LEU A 59 17.805 16.952 -3.687 1.00 0.00 C ATOM 945 C LEU A 59 17.192 17.745 -4.836 1.00 0.00 C ATOM 946 O LEU A 59 16.279 17.273 -5.512 1.00 0.00 O ATOM 947 CB LEU A 59 17.197 17.405 -2.358 1.00 0.00 C ATOM 948 CG LEU A 59 17.203 18.912 -2.097 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.270 19.258 -0.947 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.615 19.397 -1.805 1.00 0.00 C ATOM 0 H LEU A 59 19.622 17.477 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 59 17.583 15.896 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.166 17.053 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.737 16.914 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 59 16.845 19.418 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.287 20.334 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.255 18.946 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.598 18.742 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.600 20.471 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.001 18.884 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.257 19.184 -2.660 1.00 0.00 H new ATOM 962 N GLY A 60 17.703 18.953 -5.054 1.00 0.00 N ATOM 963 CA GLY A 60 17.196 19.792 -6.124 1.00 0.00 C ATOM 964 C GLY A 60 17.411 19.178 -7.493 1.00 0.00 C ATOM 965 O GLY A 60 16.469 19.039 -8.273 1.00 0.00 O ATOM 0 H GLY A 60 18.459 19.366 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.131 19.967 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.688 20.764 -6.084 1.00 0.00 H new ATOM 969 N GLU A 61 18.655 18.811 -7.787 1.00 0.00 N ATOM 970 CA GLU A 61 18.990 18.211 -9.073 1.00 0.00 C ATOM 971 C GLU A 61 18.128 16.981 -9.341 1.00 0.00 C ATOM 972 O GLU A 61 17.604 16.803 -10.441 1.00 0.00 O ATOM 973 CB GLU A 61 20.471 17.829 -9.112 1.00 0.00 C ATOM 974 CG GLU A 61 20.929 17.045 -7.894 1.00 0.00 C ATOM 975 CD GLU A 61 22.387 16.636 -7.977 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.681 15.613 -8.629 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.235 17.342 -7.391 1.00 0.00 O ATOM 0 H GLU A 61 19.446 18.919 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 61 18.792 18.948 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.662 17.237 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.070 18.736 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.775 17.648 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.311 16.153 -7.787 1.00 0.00 H new ATOM 984 N LEU A 62 17.987 16.133 -8.327 1.00 0.00 N ATOM 985 CA LEU A 62 17.190 14.918 -8.452 1.00 0.00 C ATOM 986 C LEU A 62 15.747 15.249 -8.822 1.00 0.00 C ATOM 987 O LEU A 62 15.261 14.854 -9.882 1.00 0.00 O ATOM 988 CB LEU A 62 17.224 14.126 -7.144 1.00 0.00 C ATOM 989 CG LEU A 62 17.846 12.731 -7.220 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.451 12.041 -8.516 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.360 12.815 -7.098 1.00 0.00 C ATOM 0 H LEU A 62 18.414 16.265 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 62 17.620 14.311 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.775 14.708 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.203 14.027 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 62 17.467 12.139 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.903 11.050 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.366 11.947 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.801 12.631 -9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.786 11.813 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.757 13.424 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.623 13.268 -6.142 1.00 0.00 H new ATOM 1003 N LEU A 63 15.068 15.977 -7.942 1.00 0.00 N ATOM 1004 CA LEU A 63 13.682 16.363 -8.177 1.00 0.00 C ATOM 1005 C LEU A 63 13.534 17.076 -9.517 1.00 0.00 C ATOM 1006 O LEU A 63 12.607 16.803 -10.278 1.00 0.00 O ATOM 1007 CB LEU A 63 13.186 17.269 -7.048 1.00 0.00 C ATOM 1008 CG LEU A 63 12.214 16.632 -6.054 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.926 16.294 -4.753 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.034 17.557 -5.794 1.00 0.00 C ATOM 0 H LEU A 63 15.455 16.311 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 63 13.078 15.456 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.052 17.634 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.702 18.138 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 63 11.835 15.707 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.219 15.842 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.736 15.593 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.334 17.205 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.353 17.087 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.394 18.499 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.508 17.748 -6.730 1.00 0.00 H new ATOM 1022 N GLY A 64 14.458 17.989 -9.801 1.00 0.00 N ATOM 1023 CA GLY A 64 14.414 18.725 -11.051 1.00 0.00 C ATOM 1024 C GLY A 64 13.582 19.989 -10.951 1.00 0.00 C ATOM 1025 O GLY A 64 13.081 20.491 -11.957 1.00 0.00 O ATOM 0 H GLY A 64 15.236 18.232 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.429 18.985 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.004 18.085 -11.832 1.00 0.00 H new ATOM 1029 N ARG A 65 13.434 20.503 -9.734 1.00 0.00 N ATOM 1030 CA ARG A 65 12.655 21.714 -9.507 1.00 0.00 C ATOM 1031 C ARG A 65 13.475 22.753 -8.746 1.00 0.00 C ATOM 1032 O ARG A 65 14.703 22.766 -8.824 1.00 0.00 O ATOM 1033 CB ARG A 65 11.379 21.387 -8.730 1.00 0.00 C ATOM 1034 CG ARG A 65 10.756 20.055 -9.115 1.00 0.00 C ATOM 1035 CD ARG A 65 9.519 20.247 -9.978 1.00 0.00 C ATOM 1036 NE ARG A 65 9.624 19.537 -11.250 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.648 19.495 -12.150 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.501 20.119 -11.920 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.818 18.828 -13.285 1.00 0.00 N ATOM 0 H ARG A 65 13.843 20.100 -8.891 1.00 0.00 H new ATOM 0 HA ARG A 65 12.384 22.129 -10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.605 21.378 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.650 22.181 -8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.487 19.453 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.490 19.503 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.641 19.894 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.370 21.310 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 65 10.494 19.047 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.366 20.633 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.754 20.085 -12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.699 18.347 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.068 18.796 -13.975 1.00 0.00 H new ATOM 1053 N GLN A 66 12.785 23.620 -8.011 1.00 0.00 N ATOM 1054 CA GLN A 66 13.450 24.662 -7.237 1.00 0.00 C ATOM 1055 C GLN A 66 13.146 24.513 -5.750 1.00 0.00 C ATOM 1056 O GLN A 66 14.014 24.729 -4.905 1.00 0.00 O ATOM 1057 CB GLN A 66 13.012 26.045 -7.723 1.00 0.00 C ATOM 1058 CG GLN A 66 11.592 26.078 -8.264 1.00 0.00 C ATOM 1059 CD GLN A 66 11.032 27.485 -8.347 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.758 28.439 -8.624 1.00 0.00 O ATOM 1061 NE2 GLN A 66 9.733 27.620 -8.107 1.00 0.00 N ATOM 0 H GLN A 66 11.768 23.622 -7.935 1.00 0.00 H new ATOM 0 HA GLN A 66 14.525 24.557 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.094 26.754 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.697 26.381 -8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.574 25.625 -9.255 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.949 25.472 -7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.168 26.801 -7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.300 28.543 -8.149 1.00 0.00 H new ATOM 1070 N SER A 67 11.908 24.144 -5.438 1.00 0.00 N ATOM 1071 CA SER A 67 11.488 23.970 -4.053 1.00 0.00 C ATOM 1072 C SER A 67 10.280 23.042 -3.963 1.00 0.00 C ATOM 1073 O SER A 67 9.426 23.029 -4.849 1.00 0.00 O ATOM 1074 CB SER A 67 11.153 25.325 -3.425 1.00 0.00 C ATOM 1075 OG SER A 67 9.793 25.662 -3.638 1.00 0.00 O ATOM 0 H SER A 67 11.178 23.960 -6.126 1.00 0.00 H new ATOM 0 HA SER A 67 12.313 23.517 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.361 25.295 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.794 26.096 -3.853 1.00 0.00 H new ATOM 0 HG SER A 67 9.603 26.531 -3.226 1.00 0.00 H new ATOM 1081 N PHE A 68 10.216 22.267 -2.885 1.00 0.00 N ATOM 1082 CA PHE A 68 9.114 21.335 -2.679 1.00 0.00 C ATOM 1083 C PHE A 68 8.749 21.243 -1.200 1.00 0.00 C ATOM 1084 O PHE A 68 9.611 21.356 -0.329 1.00 0.00 O ATOM 1085 CB PHE A 68 9.484 19.949 -3.211 1.00 0.00 C ATOM 1086 CG PHE A 68 10.739 19.389 -2.605 1.00 0.00 C ATOM 1087 CD1 PHE A 68 11.982 19.859 -2.995 1.00 0.00 C ATOM 1088 CD2 PHE A 68 10.675 18.392 -1.644 1.00 0.00 C ATOM 1089 CE1 PHE A 68 13.139 19.346 -2.439 1.00 0.00 C ATOM 1090 CE2 PHE A 68 11.828 17.876 -1.084 1.00 0.00 C ATOM 1091 CZ PHE A 68 13.062 18.352 -1.483 1.00 0.00 C ATOM 0 H PHE A 68 10.914 22.266 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 68 8.249 21.708 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.659 19.263 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.606 20.005 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.048 20.636 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.713 18.014 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.102 19.722 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.765 17.101 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.964 17.948 -1.048 1.00 0.00 H new ATOM 1101 N SER A 69 7.465 21.038 -0.925 1.00 0.00 N ATOM 1102 CA SER A 69 6.984 20.936 0.448 1.00 0.00 C ATOM 1103 C SER A 69 7.068 19.496 0.947 1.00 0.00 C ATOM 1104 O SER A 69 6.713 18.558 0.233 1.00 0.00 O ATOM 1105 CB SER A 69 5.542 21.438 0.544 1.00 0.00 C ATOM 1106 OG SER A 69 4.767 20.603 1.387 1.00 0.00 O ATOM 0 H SER A 69 6.739 20.939 -1.635 1.00 0.00 H new ATOM 0 HA SER A 69 7.620 21.558 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.533 22.458 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.097 21.469 -0.451 1.00 0.00 H new ATOM 0 HG SER A 69 4.942 20.831 2.324 1.00 0.00 H new ATOM 1112 N VAL A 70 7.540 19.330 2.178 1.00 0.00 N ATOM 1113 CA VAL A 70 7.670 18.006 2.774 1.00 0.00 C ATOM 1114 C VAL A 70 6.309 17.335 2.925 1.00 0.00 C ATOM 1115 O VAL A 70 6.181 16.121 2.761 1.00 0.00 O ATOM 1116 CB VAL A 70 8.351 18.076 4.154 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.366 19.208 4.192 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.312 18.244 5.252 1.00 0.00 C ATOM 0 H VAL A 70 7.839 20.096 2.782 1.00 0.00 H new ATOM 0 HA VAL A 70 8.291 17.415 2.100 1.00 0.00 H new ATOM 0 HB VAL A 70 8.881 17.139 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.837 19.242 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.127 19.040 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.862 20.155 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.810 18.292 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.753 19.165 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.627 17.396 5.238 1.00 0.00 H new ATOM 1128 N LYS A 71 5.294 18.133 3.237 1.00 0.00 N ATOM 1129 CA LYS A 71 3.941 17.618 3.408 1.00 0.00 C ATOM 1130 C LYS A 71 3.265 17.403 2.058 1.00 0.00 C ATOM 1131 O LYS A 71 2.115 16.970 1.990 1.00 0.00 O ATOM 1132 CB LYS A 71 3.110 18.582 4.258 1.00 0.00 C ATOM 1133 CG LYS A 71 2.386 17.908 5.411 1.00 0.00 C ATOM 1134 CD LYS A 71 3.260 17.837 6.652 1.00 0.00 C ATOM 1135 CE LYS A 71 3.444 19.208 7.284 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.528 19.413 8.441 1.00 0.00 N ATOM 0 H LYS A 71 5.383 19.139 3.377 1.00 0.00 H new ATOM 0 HA LYS A 71 4.007 16.657 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.764 19.359 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.378 19.077 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.472 18.457 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.088 16.902 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.810 17.159 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.233 17.423 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.477 19.320 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.263 19.980 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.838 20.243 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.560 19.568 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.546 18.571 9.052 1.00 0.00 H new ATOM 1150 N ASP A 72 3.988 17.706 0.985 1.00 0.00 N ATOM 1151 CA ASP A 72 3.459 17.544 -0.364 1.00 0.00 C ATOM 1152 C ASP A 72 4.176 16.413 -1.096 1.00 0.00 C ATOM 1153 O ASP A 72 5.282 16.577 -1.611 1.00 0.00 O ATOM 1154 CB ASP A 72 3.601 18.848 -1.151 1.00 0.00 C ATOM 1155 CG ASP A 72 2.336 19.682 -1.122 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.237 19.091 -1.077 1.00 0.00 O ATOM 1157 OD2 ASP A 72 2.444 20.926 -1.145 1.00 0.00 O ATOM 0 H ASP A 72 4.942 18.065 1.024 1.00 0.00 H new ATOM 0 HA ASP A 72 2.402 17.290 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.426 19.430 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.858 18.619 -2.185 1.00 0.00 H new ATOM 1162 N PRO A 73 3.533 15.237 -1.142 1.00 0.00 N ATOM 1163 CA PRO A 73 4.090 14.056 -1.808 1.00 0.00 C ATOM 1164 C PRO A 73 4.126 14.208 -3.325 1.00 0.00 C ATOM 1165 O PRO A 73 4.583 13.314 -4.037 1.00 0.00 O ATOM 1166 CB PRO A 73 3.129 12.935 -1.405 1.00 0.00 C ATOM 1167 CG PRO A 73 1.842 13.626 -1.114 1.00 0.00 C ATOM 1168 CD PRO A 73 2.212 14.970 -0.550 1.00 0.00 C ATOM 0 HA PRO A 73 5.125 13.874 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.014 12.205 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.495 12.395 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.244 13.734 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.245 13.055 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.486 15.735 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.256 14.950 0.539 1.00 0.00 H new ATOM 1176 N SER A 74 3.641 15.345 -3.812 1.00 0.00 N ATOM 1177 CA SER A 74 3.615 15.613 -5.246 1.00 0.00 C ATOM 1178 C SER A 74 5.030 15.709 -5.807 1.00 0.00 C ATOM 1179 O SER A 74 5.451 14.907 -6.641 1.00 0.00 O ATOM 1180 CB SER A 74 2.852 16.908 -5.530 1.00 0.00 C ATOM 1181 OG SER A 74 3.345 17.544 -6.697 1.00 0.00 O ATOM 0 H SER A 74 3.261 16.096 -3.236 1.00 0.00 H new ATOM 0 HA SER A 74 3.105 14.784 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.791 16.690 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.943 17.582 -4.678 1.00 0.00 H new ATOM 0 HG SER A 74 2.840 18.368 -6.858 1.00 0.00 H new ATOM 1187 N PRO A 75 5.784 16.715 -5.339 1.00 0.00 N ATOM 1188 CA PRO A 75 7.164 16.941 -5.778 1.00 0.00 C ATOM 1189 C PRO A 75 8.117 15.863 -5.275 1.00 0.00 C ATOM 1190 O PRO A 75 9.219 15.699 -5.801 1.00 0.00 O ATOM 1191 CB PRO A 75 7.516 18.297 -5.160 1.00 0.00 C ATOM 1192 CG PRO A 75 6.622 18.415 -3.974 1.00 0.00 C ATOM 1193 CD PRO A 75 5.347 17.709 -4.343 1.00 0.00 C ATOM 0 HA PRO A 75 7.255 16.916 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.566 18.340 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.347 19.110 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.079 17.961 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.433 19.461 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.885 17.234 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.612 18.398 -4.759 1.00 0.00 H new ATOM 1201 N LEU A 76 7.687 15.129 -4.255 1.00 0.00 N ATOM 1202 CA LEU A 76 8.502 14.065 -3.680 1.00 0.00 C ATOM 1203 C LEU A 76 8.545 12.852 -4.604 1.00 0.00 C ATOM 1204 O LEU A 76 9.615 12.434 -5.048 1.00 0.00 O ATOM 1205 CB LEU A 76 7.954 13.658 -2.311 1.00 0.00 C ATOM 1206 CG LEU A 76 8.889 12.822 -1.435 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.026 13.678 -0.901 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.116 12.183 -0.291 1.00 0.00 C ATOM 0 H LEU A 76 6.778 15.251 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 76 9.517 14.444 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.689 14.563 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.032 13.096 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 76 9.317 12.027 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.681 13.067 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.595 14.088 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.618 14.494 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.796 11.592 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.660 12.962 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.337 11.537 -0.695 1.00 0.00 H new ATOM 1220 N TYR A 77 7.375 12.293 -4.893 1.00 0.00 N ATOM 1221 CA TYR A 77 7.278 11.129 -5.764 1.00 0.00 C ATOM 1222 C TYR A 77 8.013 11.370 -7.080 1.00 0.00 C ATOM 1223 O TYR A 77 8.515 10.436 -7.704 1.00 0.00 O ATOM 1224 CB TYR A 77 5.812 10.792 -6.040 1.00 0.00 C ATOM 1225 CG TYR A 77 5.113 10.129 -4.875 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.628 8.974 -4.297 1.00 0.00 C ATOM 1227 CD2 TYR A 77 3.939 10.655 -4.352 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.993 8.364 -3.233 1.00 0.00 C ATOM 1229 CE2 TYR A 77 3.298 10.053 -3.287 1.00 0.00 C ATOM 1230 CZ TYR A 77 3.828 8.908 -2.731 1.00 0.00 C ATOM 1231 OH TYR A 77 3.192 8.304 -1.671 1.00 0.00 O ATOM 0 H TYR A 77 6.480 12.628 -4.536 1.00 0.00 H new ATOM 0 HA TYR A 77 7.747 10.287 -5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.280 11.708 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.756 10.135 -6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.540 8.547 -4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.520 11.551 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.406 7.467 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.387 10.477 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 77 2.353 7.902 -1.979 1.00 0.00 H new ATOM 1241 N ASP A 78 8.071 12.631 -7.494 1.00 0.00 N ATOM 1242 CA ASP A 78 8.745 12.998 -8.734 1.00 0.00 C ATOM 1243 C ASP A 78 10.211 12.577 -8.701 1.00 0.00 C ATOM 1244 O ASP A 78 10.727 12.016 -9.666 1.00 0.00 O ATOM 1245 CB ASP A 78 8.639 14.505 -8.970 1.00 0.00 C ATOM 1246 CG ASP A 78 9.102 14.908 -10.356 1.00 0.00 C ATOM 1247 OD1 ASP A 78 9.687 14.056 -11.057 1.00 0.00 O ATOM 1248 OD2 ASP A 78 8.880 16.076 -10.741 1.00 0.00 O ATOM 0 H ASP A 78 7.660 13.416 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 78 8.254 12.474 -9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.605 14.820 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 78 9.236 15.030 -8.224 1.00 0.00 H new ATOM 1253 N MET A 79 10.875 12.854 -7.584 1.00 0.00 N ATOM 1254 CA MET A 79 12.282 12.504 -7.425 1.00 0.00 C ATOM 1255 C MET A 79 12.447 11.005 -7.198 1.00 0.00 C ATOM 1256 O MET A 79 13.218 10.342 -7.894 1.00 0.00 O ATOM 1257 CB MET A 79 12.894 13.279 -6.256 1.00 0.00 C ATOM 1258 CG MET A 79 14.120 12.608 -5.658 1.00 0.00 C ATOM 1259 SD MET A 79 14.764 13.490 -4.223 1.00 0.00 S ATOM 1260 CE MET A 79 13.509 13.112 -3.003 1.00 0.00 C ATOM 0 H MET A 79 10.462 13.320 -6.776 1.00 0.00 H new ATOM 0 HA MET A 79 12.804 12.774 -8.343 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.166 14.278 -6.596 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.141 13.401 -5.478 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.867 11.588 -5.369 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.899 12.540 -6.417 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.496 13.891 -2.241 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.534 13.062 -3.487 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.732 12.152 -2.537 1.00 0.00 H new ATOM 1270 N LEU A 80 11.719 10.475 -6.222 1.00 0.00 N ATOM 1271 CA LEU A 80 11.784 9.053 -5.903 1.00 0.00 C ATOM 1272 C LEU A 80 11.439 8.205 -7.123 1.00 0.00 C ATOM 1273 O LEU A 80 11.918 7.080 -7.265 1.00 0.00 O ATOM 1274 CB LEU A 80 10.832 8.723 -4.752 1.00 0.00 C ATOM 1275 CG LEU A 80 11.247 9.231 -3.371 1.00 0.00 C ATOM 1276 CD1 LEU A 80 11.695 10.682 -3.448 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.103 9.077 -2.380 1.00 0.00 C ATOM 0 H LEU A 80 11.076 11.009 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 80 12.805 8.821 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.851 9.135 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.719 7.640 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 80 12.087 8.631 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.986 11.026 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.545 10.765 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.875 11.297 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.417 9.444 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.243 9.652 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.828 8.025 -2.302 1.00 0.00 H new ATOM 1289 N ARG A 81 10.607 8.753 -8.002 1.00 0.00 N ATOM 1290 CA ARG A 81 10.198 8.048 -9.211 1.00 0.00 C ATOM 1291 C ARG A 81 11.393 7.369 -9.874 1.00 0.00 C ATOM 1292 O ARG A 81 11.345 6.182 -10.198 1.00 0.00 O ATOM 1293 CB ARG A 81 9.538 9.016 -10.194 1.00 0.00 C ATOM 1294 CG ARG A 81 10.357 9.260 -11.451 1.00 0.00 C ATOM 1295 CD ARG A 81 9.612 10.146 -12.438 1.00 0.00 C ATOM 1296 NE ARG A 81 9.465 9.508 -13.743 1.00 0.00 N ATOM 1297 CZ ARG A 81 9.041 10.145 -14.829 1.00 0.00 C ATOM 1298 NH1 ARG A 81 8.724 11.431 -14.765 1.00 0.00 N ATOM 1299 NH2 ARG A 81 8.933 9.497 -15.981 1.00 0.00 N ATOM 0 H ARG A 81 10.203 9.684 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 81 9.477 7.282 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.562 8.623 -10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.365 9.968 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.305 9.728 -11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.594 8.307 -11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.627 10.385 -12.038 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.146 11.089 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 81 9.701 8.519 -13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.806 11.933 -13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.399 11.918 -15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.176 8.508 -16.034 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.607 9.988 -16.814 1.00 0.00 H new ATOM 1313 N LYS A 82 12.464 8.129 -10.073 1.00 0.00 N ATOM 1314 CA LYS A 82 13.672 7.602 -10.696 1.00 0.00 C ATOM 1315 C LYS A 82 14.760 7.358 -9.655 1.00 0.00 C ATOM 1316 O LYS A 82 15.845 6.879 -9.979 1.00 0.00 O ATOM 1317 CB LYS A 82 14.183 8.571 -11.765 1.00 0.00 C ATOM 1318 CG LYS A 82 15.367 9.407 -11.312 1.00 0.00 C ATOM 1319 CD LYS A 82 14.987 10.342 -10.176 1.00 0.00 C ATOM 1320 CE LYS A 82 13.830 11.250 -10.563 1.00 0.00 C ATOM 1321 NZ LYS A 82 14.102 12.672 -10.217 1.00 0.00 N ATOM 0 H LYS A 82 12.520 9.113 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 82 13.423 6.650 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.467 8.004 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.371 9.236 -12.059 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.175 8.750 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.746 9.989 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.713 9.757 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.849 10.948 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.645 11.166 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.924 10.920 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.215 13.214 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.499 12.726 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.782 13.071 -10.896 1.00 0.00 H new ATOM 1335 N ASN A 83 14.459 7.689 -8.403 1.00 0.00 N ATOM 1336 CA ASN A 83 15.412 7.505 -7.314 1.00 0.00 C ATOM 1337 C ASN A 83 15.121 6.217 -6.550 1.00 0.00 C ATOM 1338 O ASN A 83 15.978 5.340 -6.440 1.00 0.00 O ATOM 1339 CB ASN A 83 15.365 8.700 -6.360 1.00 0.00 C ATOM 1340 CG ASN A 83 15.457 8.282 -4.905 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.223 7.385 -4.553 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.674 8.932 -4.052 1.00 0.00 N ATOM 0 H ASN A 83 13.564 8.086 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 83 16.410 7.433 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.185 9.380 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.439 9.252 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.692 8.694 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.054 9.669 -4.389 1.00 0.00 H new ATOM 1349 N LEU A 84 13.906 6.110 -6.023 1.00 0.00 N ATOM 1350 CA LEU A 84 13.500 4.929 -5.269 1.00 0.00 C ATOM 1351 C LEU A 84 13.567 3.678 -6.139 1.00 0.00 C ATOM 1352 O LEU A 84 12.874 3.575 -7.151 1.00 0.00 O ATOM 1353 CB LEU A 84 12.082 5.110 -4.724 1.00 0.00 C ATOM 1354 CG LEU A 84 11.966 5.326 -3.215 1.00 0.00 C ATOM 1355 CD1 LEU A 84 12.233 4.029 -2.467 1.00 0.00 C ATOM 1356 CD2 LEU A 84 12.925 6.415 -2.756 1.00 0.00 C ATOM 0 H LEU A 84 13.185 6.827 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 84 14.190 4.806 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.626 5.962 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.496 4.230 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 84 10.949 5.647 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.146 4.203 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.506 3.276 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.239 3.677 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.828 6.555 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.948 6.123 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.687 7.348 -3.266 1.00 0.00 H new ATOM 1368 N VAL A 85 14.406 2.728 -5.736 1.00 0.00 N ATOM 1369 CA VAL A 85 14.561 1.482 -6.477 1.00 0.00 C ATOM 1370 C VAL A 85 13.476 0.479 -6.099 1.00 0.00 C ATOM 1371 O VAL A 85 12.992 0.468 -4.967 1.00 0.00 O ATOM 1372 CB VAL A 85 15.942 0.847 -6.224 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.925 -0.630 -6.586 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.017 1.584 -7.008 1.00 0.00 C ATOM 0 H VAL A 85 14.988 2.798 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 85 14.471 1.729 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 85 16.174 0.933 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.909 -1.061 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.182 -1.145 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.672 -0.743 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.986 1.123 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.792 1.530 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.044 2.628 -6.695 1.00 0.00 H new ATOM 1384 N THR A 86 13.098 -0.364 -7.055 1.00 0.00 N ATOM 1385 CA THR A 86 12.070 -1.371 -6.824 1.00 0.00 C ATOM 1386 C THR A 86 12.551 -2.754 -7.244 1.00 0.00 C ATOM 1387 O THR A 86 12.895 -2.977 -8.405 1.00 0.00 O ATOM 1388 CB THR A 86 10.774 -1.036 -7.587 1.00 0.00 C ATOM 1389 OG1 THR A 86 11.079 -0.700 -8.945 1.00 0.00 O ATOM 1390 CG2 THR A 86 10.039 0.119 -6.925 1.00 0.00 C ATOM 0 H THR A 86 13.489 -0.369 -7.997 1.00 0.00 H new ATOM 0 HA THR A 86 11.863 -1.372 -5.754 1.00 0.00 H new ATOM 0 HB THR A 86 10.129 -1.914 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.764 -1.311 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.128 0.337 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.783 -0.152 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.679 1.001 -6.917 1.00 0.00 H new ATOM 1398 N LEU A 87 12.573 -3.682 -6.293 1.00 0.00 N ATOM 1399 CA LEU A 87 13.012 -5.046 -6.565 1.00 0.00 C ATOM 1400 C LEU A 87 11.846 -6.024 -6.461 1.00 0.00 C ATOM 1401 O LEU A 87 12.000 -7.137 -5.958 1.00 0.00 O ATOM 1402 CB LEU A 87 14.120 -5.450 -5.591 1.00 0.00 C ATOM 1403 CG LEU A 87 13.853 -5.162 -4.113 1.00 0.00 C ATOM 1404 CD1 LEU A 87 14.301 -6.332 -3.251 1.00 0.00 C ATOM 1405 CD2 LEU A 87 14.555 -3.882 -3.684 1.00 0.00 C ATOM 0 H LEU A 87 12.292 -3.514 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 87 13.401 -5.080 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.304 -6.518 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.036 -4.936 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 87 12.780 -5.028 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.103 -6.108 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.753 -7.228 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.369 -6.499 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.354 -3.693 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.629 -3.988 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.185 -3.047 -4.279 1.00 0.00 H new ATOM 1417 N ALA A 88 10.681 -5.601 -6.940 1.00 0.00 N ATOM 1418 CA ALA A 88 9.491 -6.441 -6.905 1.00 0.00 C ATOM 1419 C ALA A 88 8.656 -6.264 -8.169 1.00 0.00 C ATOM 1420 O ALA A 88 8.903 -5.360 -8.967 1.00 0.00 O ATOM 1421 CB ALA A 88 8.658 -6.125 -5.672 1.00 0.00 C ATOM 0 H ALA A 88 10.536 -4.681 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 88 9.813 -7.481 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.772 -6.760 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.250 -6.310 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.354 -5.079 -5.697 1.00 0.00 H new ATOM 1427 N THR A 89 7.667 -7.134 -8.346 1.00 0.00 N ATOM 1428 CA THR A 89 6.797 -7.075 -9.514 1.00 0.00 C ATOM 1429 C THR A 89 5.514 -6.312 -9.206 1.00 0.00 C ATOM 1430 O THR A 89 4.787 -6.700 -8.293 1.00 0.00 O ATOM 1431 CB THR A 89 6.434 -8.485 -10.016 1.00 0.00 C ATOM 1432 OG1 THR A 89 6.189 -9.353 -8.904 1.00 0.00 O ATOM 1433 CG2 THR A 89 7.550 -9.058 -10.876 1.00 0.00 C ATOM 0 H THR A 89 7.448 -7.888 -7.695 1.00 0.00 H new ATOM 0 HA THR A 89 7.350 -6.551 -10.294 1.00 0.00 H new ATOM 0 HB THR A 89 5.532 -8.409 -10.623 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.618 -8.896 -8.252 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.270 -10.054 -11.219 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.714 -8.411 -11.738 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.466 -9.120 -10.289 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 2.438 17.354 18.820 1.00 0.00 N ATOM 1443 CA SER B 115 2.302 16.833 17.465 1.00 0.00 C ATOM 1444 C SER B 115 2.345 17.965 16.442 1.00 0.00 C ATOM 1445 O SER B 115 1.783 19.037 16.663 1.00 0.00 O ATOM 1446 CB SER B 115 0.993 16.054 17.324 1.00 0.00 C ATOM 1447 OG SER B 115 1.209 14.804 16.693 1.00 0.00 O ATOM 0 HA SER B 115 3.139 16.161 17.275 1.00 0.00 H new ATOM 0 HB2 SER B 115 0.552 15.897 18.308 1.00 0.00 H new ATOM 0 HB3 SER B 115 0.279 16.639 16.744 1.00 0.00 H new ATOM 0 HG SER B 115 0.358 14.325 16.616 1.00 0.00 H new ATOM 1453 N GLN B 116 3.016 17.716 15.322 1.00 0.00 N ATOM 1454 CA GLN B 116 3.134 18.713 14.265 1.00 0.00 C ATOM 1455 C GLN B 116 4.027 19.869 14.704 1.00 0.00 C ATOM 1456 O GLN B 116 3.759 20.525 15.710 1.00 0.00 O ATOM 1457 CB GLN B 116 1.752 19.240 13.876 1.00 0.00 C ATOM 1458 CG GLN B 116 1.428 19.067 12.401 1.00 0.00 C ATOM 1459 CD GLN B 116 1.467 20.376 11.637 1.00 0.00 C ATOM 1460 OE1 GLN B 116 0.564 20.680 10.857 1.00 0.00 O ATOM 1461 NE2 GLN B 116 2.516 21.160 11.858 1.00 0.00 N ATOM 0 H GLN B 116 3.486 16.833 15.123 1.00 0.00 H new ATOM 0 HA GLN B 116 3.590 18.235 13.398 1.00 0.00 H new ATOM 0 HB2 GLN B 116 0.996 18.725 14.468 1.00 0.00 H new ATOM 0 HB3 GLN B 116 1.691 20.298 14.131 1.00 0.00 H new ATOM 0 HG2 GLN B 116 2.138 18.370 11.956 1.00 0.00 H new ATOM 0 HG3 GLN B 116 0.438 18.621 12.300 1.00 0.00 H new ATOM 0 HE21 GLN B 116 3.241 20.869 12.513 1.00 0.00 H new ATOM 0 HE22 GLN B 116 2.596 22.054 11.373 1.00 0.00 H new ATOM 1470 N GLU B 117 5.090 20.112 13.943 1.00 0.00 N ATOM 1471 CA GLU B 117 6.023 21.188 14.256 1.00 0.00 C ATOM 1472 C GLU B 117 7.359 20.972 13.550 1.00 0.00 C ATOM 1473 O GLU B 117 7.589 21.493 12.458 1.00 0.00 O ATOM 1474 CB GLU B 117 6.241 21.281 15.767 1.00 0.00 C ATOM 1475 CG GLU B 117 5.488 22.427 16.422 1.00 0.00 C ATOM 1476 CD GLU B 117 4.980 22.075 17.807 1.00 0.00 C ATOM 1477 OE1 GLU B 117 4.851 20.869 18.104 1.00 0.00 O ATOM 1478 OE2 GLU B 117 4.711 23.008 18.593 1.00 0.00 O ATOM 0 H GLU B 117 5.326 19.579 13.106 1.00 0.00 H new ATOM 0 HA GLU B 117 5.591 22.124 13.901 1.00 0.00 H new ATOM 0 HB2 GLU B 117 5.931 20.343 16.229 1.00 0.00 H new ATOM 0 HB3 GLU B 117 7.306 21.397 15.965 1.00 0.00 H new ATOM 0 HG2 GLU B 117 6.143 23.296 16.489 1.00 0.00 H new ATOM 0 HG3 GLU B 117 4.646 22.711 15.791 1.00 0.00 H new ATOM 1485 N THR B 118 8.237 20.201 14.183 1.00 0.00 N ATOM 1486 CA THR B 118 9.551 19.917 13.618 1.00 0.00 C ATOM 1487 C THR B 118 9.458 18.879 12.505 1.00 0.00 C ATOM 1488 O THR B 118 8.449 18.188 12.370 1.00 0.00 O ATOM 1489 CB THR B 118 10.528 19.411 14.696 1.00 0.00 C ATOM 1490 OG1 THR B 118 10.538 20.311 15.809 1.00 0.00 O ATOM 1491 CG2 THR B 118 11.935 19.279 14.132 1.00 0.00 C ATOM 0 H THR B 118 8.063 19.762 15.087 1.00 0.00 H new ATOM 0 HA THR B 118 9.928 20.854 13.207 1.00 0.00 H new ATOM 0 HB THR B 118 10.192 18.428 15.027 1.00 0.00 H new ATOM 0 HG1 THR B 118 11.160 19.981 16.491 1.00 0.00 H new ATOM 0 HG21 THR B 118 12.607 18.920 14.911 1.00 0.00 H new ATOM 0 HG22 THR B 118 11.930 18.571 13.303 1.00 0.00 H new ATOM 0 HG23 THR B 118 12.277 20.251 13.777 1.00 0.00 H new ATOM 1499 N PHE B 119 10.518 18.775 11.710 1.00 0.00 N ATOM 1500 CA PHE B 119 10.556 17.821 10.608 1.00 0.00 C ATOM 1501 C PHE B 119 10.023 16.460 11.048 1.00 0.00 C ATOM 1502 O PHE B 119 9.146 15.887 10.402 1.00 0.00 O ATOM 1503 CB PHE B 119 11.985 17.676 10.080 1.00 0.00 C ATOM 1504 CG PHE B 119 12.076 17.704 8.581 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.965 17.424 7.801 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.272 18.011 7.952 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.047 17.449 6.422 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.359 18.037 6.573 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.245 17.757 5.807 1.00 0.00 C ATOM 0 H PHE B 119 11.362 19.340 11.808 1.00 0.00 H new ATOM 0 HA PHE B 119 9.918 18.200 9.810 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.598 18.480 10.488 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.405 16.738 10.444 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.025 17.184 8.276 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.146 18.232 8.546 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.175 17.228 5.825 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.297 18.276 6.095 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.310 17.779 4.729 1.00 0.00 H new ATOM 1519 N SER B 120 10.561 15.949 12.150 1.00 0.00 N ATOM 1520 CA SER B 120 10.144 14.654 12.675 1.00 0.00 C ATOM 1521 C SER B 120 8.643 14.637 12.949 1.00 0.00 C ATOM 1522 O SER B 120 8.012 13.580 12.940 1.00 0.00 O ATOM 1523 CB SER B 120 10.912 14.328 13.957 1.00 0.00 C ATOM 1524 OG SER B 120 11.488 13.035 13.892 1.00 0.00 O ATOM 0 H SER B 120 11.287 16.412 12.697 1.00 0.00 H new ATOM 0 HA SER B 120 10.367 13.896 11.924 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.694 15.070 14.115 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.239 14.387 14.813 1.00 0.00 H new ATOM 0 HG SER B 120 11.975 12.852 14.723 1.00 0.00 H new ATOM 1530 N ASP B 121 8.079 15.815 13.192 1.00 0.00 N ATOM 1531 CA ASP B 121 6.652 15.937 13.468 1.00 0.00 C ATOM 1532 C ASP B 121 5.834 15.745 12.194 1.00 0.00 C ATOM 1533 O ASP B 121 4.925 14.916 12.147 1.00 0.00 O ATOM 1534 CB ASP B 121 6.346 17.302 14.085 1.00 0.00 C ATOM 1535 CG ASP B 121 7.232 17.612 15.275 1.00 0.00 C ATOM 1536 OD1 ASP B 121 8.386 17.134 15.297 1.00 0.00 O ATOM 1537 OD2 ASP B 121 6.772 18.333 16.185 1.00 0.00 O ATOM 0 H ASP B 121 8.588 16.699 13.204 1.00 0.00 H new ATOM 0 HA ASP B 121 6.375 15.156 14.177 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.475 18.076 13.329 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.302 17.331 14.396 1.00 0.00 H new ATOM 1542 N LEU B 122 6.162 16.518 11.165 1.00 0.00 N ATOM 1543 CA LEU B 122 5.457 16.434 9.890 1.00 0.00 C ATOM 1544 C LEU B 122 6.016 15.303 9.032 1.00 0.00 C ATOM 1545 O LEU B 122 5.274 14.435 8.573 1.00 0.00 O ATOM 1546 CB LEU B 122 5.565 17.761 9.137 1.00 0.00 C ATOM 1547 CG LEU B 122 6.787 18.621 9.463 1.00 0.00 C ATOM 1548 CD1 LEU B 122 7.137 19.518 8.287 1.00 0.00 C ATOM 1549 CD2 LEU B 122 6.537 19.451 10.714 1.00 0.00 C ATOM 0 H LEU B 122 6.911 17.210 11.188 1.00 0.00 H new ATOM 0 HA LEU B 122 4.407 16.224 10.096 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.569 17.550 8.068 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.669 18.346 9.342 1.00 0.00 H new ATOM 0 HG LEU B 122 7.632 17.960 9.653 1.00 0.00 H new ATOM 0 HD11 LEU B 122 8.009 20.122 8.537 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.360 18.904 7.415 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.294 20.172 8.065 1.00 0.00 H new ATOM 0 HD21 LEU B 122 7.417 20.057 10.931 1.00 0.00 H new ATOM 0 HD22 LEU B 122 5.679 20.103 10.552 1.00 0.00 H new ATOM 0 HD23 LEU B 122 6.336 18.789 11.556 1.00 0.00 H new ATOM 1561 N TRP B 123 7.327 15.319 8.823 1.00 0.00 N ATOM 1562 CA TRP B 123 7.985 14.293 8.022 1.00 0.00 C ATOM 1563 C TRP B 123 7.336 12.931 8.242 1.00 0.00 C ATOM 1564 O TRP B 123 6.862 12.298 7.298 1.00 0.00 O ATOM 1565 CB TRP B 123 9.474 14.224 8.367 1.00 0.00 C ATOM 1566 CG TRP B 123 10.295 13.534 7.321 1.00 0.00 C ATOM 1567 CD1 TRP B 123 11.069 12.421 7.488 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.426 13.913 5.946 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.673 12.086 6.300 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.294 12.985 5.339 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.893 14.945 5.169 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.639 13.060 3.992 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.237 15.019 3.833 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.103 14.081 3.255 1.00 0.00 C ATOM 0 H TRP B 123 7.955 16.030 9.197 1.00 0.00 H new ATOM 0 HA TRP B 123 7.875 14.562 6.971 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.854 15.236 8.508 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.596 13.703 9.316 1.00 0.00 H new ATOM 0 HD1 TRP B 123 11.189 11.883 8.417 1.00 0.00 H new ATOM 0 HE1 TRP B 123 12.302 11.296 6.157 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.224 15.672 5.605 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.306 12.338 3.545 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.832 15.813 3.224 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.352 14.165 2.208 1.00 0.00 H new ATOM 1585 N LYS B 124 7.318 12.484 9.493 1.00 0.00 N ATOM 1586 CA LYS B 124 6.726 11.197 9.838 1.00 0.00 C ATOM 1587 C LYS B 124 5.269 11.131 9.391 1.00 0.00 C ATOM 1588 O LYS B 124 4.790 10.085 8.952 1.00 0.00 O ATOM 1589 CB LYS B 124 6.819 10.957 11.347 1.00 0.00 C ATOM 1590 CG LYS B 124 7.538 9.671 11.715 1.00 0.00 C ATOM 1591 CD LYS B 124 7.971 9.672 13.172 1.00 0.00 C ATOM 1592 CE LYS B 124 6.805 9.372 14.100 1.00 0.00 C ATOM 1593 NZ LYS B 124 6.736 10.335 15.234 1.00 0.00 N ATOM 0 H LYS B 124 7.707 12.995 10.286 1.00 0.00 H new ATOM 0 HA LYS B 124 7.283 10.418 9.318 1.00 0.00 H new ATOM 0 HB2 LYS B 124 7.337 11.798 11.809 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.813 10.933 11.765 1.00 0.00 H new ATOM 0 HG2 LYS B 124 6.882 8.820 11.530 1.00 0.00 H new ATOM 0 HG3 LYS B 124 8.411 9.545 11.075 1.00 0.00 H new ATOM 0 HD2 LYS B 124 8.755 8.930 13.320 1.00 0.00 H new ATOM 0 HD3 LYS B 124 8.398 10.642 13.425 1.00 0.00 H new ATOM 0 HE2 LYS B 124 5.873 9.408 13.536 1.00 0.00 H new ATOM 0 HE3 LYS B 124 6.902 8.359 14.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 5.928 10.096 15.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 7.615 10.283 15.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 6.617 11.300 14.864 1.00 0.00 H new ATOM 1607 N LEU B 125 4.569 12.255 9.503 1.00 0.00 N ATOM 1608 CA LEU B 125 3.167 12.325 9.109 1.00 0.00 C ATOM 1609 C LEU B 125 3.001 12.008 7.626 1.00 0.00 C ATOM 1610 O LEU B 125 1.890 11.767 7.152 1.00 0.00 O ATOM 1611 CB LEU B 125 2.601 13.714 9.411 1.00 0.00 C ATOM 1612 CG LEU B 125 1.426 13.762 10.390 1.00 0.00 C ATOM 1613 CD1 LEU B 125 1.927 13.906 11.818 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.483 14.902 10.035 1.00 0.00 C ATOM 0 H LEU B 125 4.950 13.130 9.863 1.00 0.00 H new ATOM 0 HA LEU B 125 2.616 11.581 9.685 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.405 14.333 9.809 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.284 14.167 8.472 1.00 0.00 H new ATOM 0 HG LEU B 125 0.875 12.825 10.314 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.077 13.938 12.500 1.00 0.00 H new ATOM 0 HD12 LEU B 125 2.561 13.056 12.069 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.502 14.827 11.911 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.347 14.921 10.742 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.022 15.848 10.082 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.097 14.754 9.026 1.00 0.00 H new ATOM 1626 N LEU B 126 4.113 12.008 6.899 1.00 0.00 N ATOM 1627 CA LEU B 126 4.092 11.717 5.470 1.00 0.00 C ATOM 1628 C LEU B 126 3.030 10.674 5.141 1.00 0.00 C ATOM 1629 O LEU B 126 3.244 9.469 5.278 1.00 0.00 O ATOM 1630 CB LEU B 126 5.466 11.226 5.009 1.00 0.00 C ATOM 1631 CG LEU B 126 6.337 12.252 4.284 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.009 12.277 2.799 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.155 13.634 4.896 1.00 0.00 C ATOM 0 H LEU B 126 5.040 12.206 7.276 1.00 0.00 H new ATOM 0 HA LEU B 126 3.845 12.638 4.941 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.013 10.867 5.881 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.321 10.371 4.349 1.00 0.00 H new ATOM 0 HG LEU B 126 7.381 11.960 4.399 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.639 13.013 2.300 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.192 11.292 2.369 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.961 12.544 2.662 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.783 14.352 4.367 1.00 0.00 H new ATOM 0 HD22 LEU B 126 5.111 13.934 4.812 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.441 13.607 5.947 1.00 0.00 H new ATOM 1645 N PRO B 127 1.855 11.144 4.696 1.00 0.00 N ATOM 1646 CA PRO B 127 0.736 10.268 4.336 1.00 0.00 C ATOM 1647 C PRO B 127 1.010 9.471 3.066 1.00 0.00 C ATOM 1648 O PRO B 127 0.191 8.653 2.647 1.00 0.00 O ATOM 1649 CB PRO B 127 -0.422 11.244 4.116 1.00 0.00 C ATOM 1650 CG PRO B 127 0.232 12.531 3.750 1.00 0.00 C ATOM 1651 CD PRO B 127 1.529 12.568 4.509 1.00 0.00 C ATOM 0 HA PRO B 127 0.540 9.520 5.104 1.00 0.00 H new ATOM 0 HB2 PRO B 127 -1.086 10.898 3.324 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -1.027 11.349 5.016 1.00 0.00 H new ATOM 0 HG2 PRO B 127 0.407 12.588 2.676 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -0.400 13.379 4.015 1.00 0.00 H new ATOM 0 HD2 PRO B 127 2.307 13.088 3.950 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.422 13.084 5.463 1.00 0.00 H new ATOM 1659 N GLU B 128 2.166 9.714 2.457 1.00 0.00 N ATOM 1660 CA GLU B 128 2.546 9.018 1.233 1.00 0.00 C ATOM 1661 C GLU B 128 1.580 9.345 0.099 1.00 0.00 C ATOM 1662 O GLU B 128 1.902 10.119 -0.802 1.00 0.00 O ATOM 1663 CB GLU B 128 2.581 7.507 1.470 1.00 0.00 C ATOM 1664 CG GLU B 128 3.631 7.072 2.479 1.00 0.00 C ATOM 1665 CD GLU B 128 4.923 6.630 1.821 1.00 0.00 C ATOM 1666 OE1 GLU B 128 5.437 7.376 0.961 1.00 0.00 O ATOM 1667 OE2 GLU B 128 5.421 5.538 2.166 1.00 0.00 O ATOM 0 H GLU B 128 2.856 10.387 2.791 1.00 0.00 H new ATOM 0 HA GLU B 128 3.542 9.356 0.946 1.00 0.00 H new ATOM 0 HB2 GLU B 128 1.600 7.179 1.815 1.00 0.00 H new ATOM 0 HB3 GLU B 128 2.770 7.004 0.522 1.00 0.00 H new ATOM 0 HG2 GLU B 128 3.838 7.897 3.161 1.00 0.00 H new ATOM 0 HG3 GLU B 128 3.235 6.253 3.080 1.00 0.00 H new ATOM 1674 N ASN B 129 0.393 8.748 0.150 1.00 0.00 N ATOM 1675 CA ASN B 129 -0.621 8.974 -0.873 1.00 0.00 C ATOM 1676 C ASN B 129 -1.640 10.010 -0.410 1.00 0.00 C ATOM 1677 O ASN B 129 -1.860 11.021 -1.078 1.00 0.00 O ATOM 1678 CB ASN B 129 -1.330 7.662 -1.216 1.00 0.00 C ATOM 1679 CG ASN B 129 -1.350 7.388 -2.708 1.00 0.00 C ATOM 1680 OD1 ASN B 129 -1.080 8.276 -3.517 1.00 0.00 O ATOM 1681 ND2 ASN B 129 -1.671 6.154 -3.078 1.00 0.00 N ATOM 0 H ASN B 129 0.110 8.104 0.889 1.00 0.00 H new ATOM 0 HA ASN B 129 -0.123 9.354 -1.765 1.00 0.00 H new ATOM 0 HB2 ASN B 129 -0.831 6.838 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN B 129 -2.353 7.697 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN B 129 -1.701 5.910 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN B 129 -1.887 5.450 -2.372 1.00 0.00 H new TER 1688 ASN B 129