USER MOD reduce.3.24.130724 H: found=0, std=0, add=1338, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1338 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 145 SER OG : rot 98:sc= 2.3 USER MOD Set 1.2: A 148 THR OG1 : rot -55:sc= 0.314 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.47) USER MOD Set 2.2: A 137 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 72 MET CE :methyl -126:sc= -0.0702 (180deg=0) USER MOD Set 3.2: A 99 GLN : amide:sc= 0 K(o=-0.07,f=-0.63) USER MOD Set 4.1: A 32 TYR OH : rot 65:sc= 0.0165 USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= 0.0185 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0515 (180deg=-0.342) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 130:sc= 0.884 USER MOD Single : A 5 LYS NZ :NH3+ -134:sc= 2.32 (180deg=0.79) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0.762 (180deg=0.762) USER MOD Single : A 17 SER OG : rot -82:sc= 0.847 USER MOD Single : A 20 THR OG1 : rot -91:sc= 0.73 USER MOD Single : A 22 GLN : amide:sc= 1.06 K(o=1.1,f=-4.7!) USER MOD Single : A 25 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 27 HIS : no HD1:sc= -0.701 K(o=-0.7,f=-0.04) USER MOD Single : A 35 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.16) USER MOD Single : A 43 GLN : amide:sc= -0.797 K(o=-0.8,f=-2.9!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 51 CYS SG : rot -164:sc= 0.698 USER MOD Single : A 58 THR OG1 : rot -62:sc= -0.473 USER MOD Single : A 61 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.93) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 67 MET CE :methyl 170:sc= -0.281 (180deg=-0.577) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 80 CYS SG : rot 126:sc= 0.0269 USER MOD Single : A 85 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.5!) USER MOD Single : A 86 ASN : amide:sc= 0.52 K(o=0.52,f=-7.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -170:sc=-0.00422 (180deg=-0.114) USER MOD Single : A 89 SER OG : rot 80:sc= -0.816! USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot -107:sc= 1.28 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.11) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 178:sc= -0.706 (180deg=-0.724) USER MOD Single : A 116 ASN : amide:sc= 0.533 K(o=0.53,f=-9.1!) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.766) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.683 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -126:sc= 0.142 USER MOD Single : A 127 THR OG1 : rot 180:sc=0.000421 USER MOD Single : A 128 LYS NZ :NH3+ -144:sc= 1.16 (180deg=0.823) USER MOD Single : A 129 GLN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 131 GLN : amide:sc= -0.292 K(o=-0.29,f=-0.93) USER MOD Single : A 136 SER OG : rot 29:sc= 1.12 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 178:sc= 0.00785 (180deg=0.00742) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 165 LYS NZ :NH3+ 146:sc= 1.21 (180deg=-0.596!) USER MOD Single : A 166 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 167 LYS NZ :NH3+ 132:sc= 1.13 (180deg=0.222) USER MOD Single : A 169 LYS NZ :NH3+ 168:sc=-0.00405 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.231 9.263 8.595 1.00 0.55 N ATOM 2 CA MET A 1 18.972 9.282 7.821 1.00 0.44 C ATOM 3 C MET A 1 18.971 8.176 6.773 1.00 0.43 C ATOM 4 O MET A 1 19.831 8.144 5.895 1.00 0.60 O ATOM 5 CB MET A 1 18.788 10.639 7.136 1.00 0.50 C ATOM 6 CG MET A 1 17.455 10.771 6.423 1.00 0.53 C ATOM 7 SD MET A 1 17.397 12.183 5.299 1.00 1.04 S ATOM 8 CE MET A 1 17.934 13.509 6.379 1.00 1.48 C ATOM 0 H1 MET A 1 20.214 10.023 9.304 1.00 0.55 H new ATOM 0 H2 MET A 1 20.330 8.345 9.074 1.00 0.55 H new ATOM 0 H3 MET A 1 21.036 9.407 7.952 1.00 0.55 H new ATOM 0 HA MET A 1 18.146 9.115 8.512 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.874 11.430 7.881 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.594 10.789 6.417 1.00 0.50 H new ATOM 0 HG2 MET A 1 17.257 9.858 5.862 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.661 10.869 7.163 1.00 0.53 H new ATOM 0 HE1 MET A 1 17.516 14.454 6.031 1.00 1.48 H new ATOM 0 HE2 MET A 1 17.591 13.312 7.395 1.00 1.48 H new ATOM 0 HE3 MET A 1 19.022 13.568 6.369 1.00 1.48 H new ATOM 20 N THR A 2 18.007 7.275 6.866 1.00 0.36 N ATOM 21 CA THR A 2 17.899 6.175 5.922 1.00 0.41 C ATOM 22 C THR A 2 16.656 6.346 5.045 1.00 0.33 C ATOM 23 O THR A 2 15.658 6.926 5.477 1.00 0.35 O ATOM 24 CB THR A 2 17.835 4.821 6.663 1.00 0.57 C ATOM 25 OG1 THR A 2 18.745 4.825 7.774 1.00 1.04 O ATOM 26 CG2 THR A 2 18.191 3.670 5.738 1.00 0.91 C ATOM 0 H THR A 2 17.286 7.284 7.588 1.00 0.36 H new ATOM 0 HA THR A 2 18.786 6.184 5.289 1.00 0.41 H new ATOM 0 HB THR A 2 16.813 4.684 7.017 1.00 0.57 H new ATOM 0 HG1 THR A 2 18.697 3.964 8.239 1.00 1.04 H new ATOM 0 HG21 THR A 2 18.137 2.731 6.288 1.00 0.91 H new ATOM 0 HG22 THR A 2 17.489 3.643 4.904 1.00 0.91 H new ATOM 0 HG23 THR A 2 19.203 3.809 5.357 1.00 0.91 H new ATOM 34 N GLU A 3 16.729 5.865 3.813 1.00 0.31 N ATOM 35 CA GLU A 3 15.612 5.962 2.882 1.00 0.26 C ATOM 36 C GLU A 3 14.833 4.648 2.860 1.00 0.24 C ATOM 37 O GLU A 3 15.426 3.575 2.746 1.00 0.37 O ATOM 38 CB GLU A 3 16.117 6.290 1.471 1.00 0.37 C ATOM 39 CG GLU A 3 15.006 6.576 0.470 1.00 0.42 C ATOM 40 CD GLU A 3 15.217 5.880 -0.863 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.537 6.564 -1.863 1.00 1.15 O ATOM 42 OE2 GLU A 3 15.058 4.641 -0.923 1.00 1.27 O ATOM 0 H GLU A 3 17.554 5.401 3.432 1.00 0.31 H new ATOM 0 HA GLU A 3 14.953 6.764 3.214 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.777 7.156 1.524 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.715 5.455 1.106 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.053 6.259 0.893 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.940 7.652 0.306 1.00 0.42 H new ATOM 49 N TYR A 4 13.516 4.731 2.971 1.00 0.19 N ATOM 50 CA TYR A 4 12.666 3.549 2.951 1.00 0.25 C ATOM 51 C TYR A 4 11.863 3.511 1.657 1.00 0.21 C ATOM 52 O TYR A 4 11.277 4.518 1.254 1.00 0.21 O ATOM 53 CB TYR A 4 11.712 3.540 4.146 1.00 0.37 C ATOM 54 CG TYR A 4 12.369 3.199 5.466 1.00 0.53 C ATOM 55 CD1 TYR A 4 13.388 2.253 5.547 1.00 0.91 C ATOM 56 CD2 TYR A 4 11.957 3.817 6.640 1.00 0.78 C ATOM 57 CE1 TYR A 4 13.970 1.940 6.760 1.00 1.06 C ATOM 58 CE2 TYR A 4 12.540 3.507 7.850 1.00 0.93 C ATOM 59 CZ TYR A 4 13.543 2.569 7.905 1.00 0.91 C ATOM 60 OH TYR A 4 14.121 2.255 9.113 1.00 1.11 O ATOM 0 H TYR A 4 13.010 5.610 3.077 1.00 0.19 H new ATOM 0 HA TYR A 4 13.306 2.668 3.012 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.244 4.521 4.229 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.915 2.822 3.954 1.00 0.37 H new ATOM 0 HD1 TYR A 4 13.728 1.758 4.649 1.00 0.91 H new ATOM 0 HD2 TYR A 4 11.167 4.552 6.604 1.00 0.78 H new ATOM 0 HE1 TYR A 4 14.758 1.203 6.809 1.00 1.06 H new ATOM 0 HE2 TYR A 4 12.210 4.000 8.752 1.00 0.93 H new ATOM 0 HH TYR A 4 14.387 3.079 9.572 1.00 1.11 H new ATOM 70 N LYS A 5 11.836 2.350 1.017 1.00 0.24 N ATOM 71 CA LYS A 5 11.115 2.180 -0.237 1.00 0.26 C ATOM 72 C LYS A 5 9.719 1.629 0.015 1.00 0.24 C ATOM 73 O LYS A 5 9.549 0.439 0.298 1.00 0.29 O ATOM 74 CB LYS A 5 11.891 1.248 -1.166 1.00 0.40 C ATOM 75 CG LYS A 5 13.385 1.553 -1.220 1.00 0.81 C ATOM 76 CD LYS A 5 13.939 1.456 -2.635 1.00 0.65 C ATOM 77 CE LYS A 5 13.382 2.557 -3.533 1.00 0.62 C ATOM 78 NZ LYS A 5 13.910 3.903 -3.185 1.00 0.71 N ATOM 0 H LYS A 5 12.308 1.508 1.348 1.00 0.24 H new ATOM 0 HA LYS A 5 11.017 3.155 -0.714 1.00 0.26 H new ATOM 0 HB2 LYS A 5 11.749 0.219 -0.837 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.476 1.321 -2.171 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.564 2.554 -0.829 1.00 0.81 H new ATOM 0 HG3 LYS A 5 13.920 0.858 -0.573 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.026 1.525 -2.606 1.00 0.65 H new ATOM 0 HD3 LYS A 5 13.692 0.482 -3.057 1.00 0.65 H new ATOM 0 HE2 LYS A 5 13.627 2.332 -4.571 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.295 2.567 -3.457 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 13.127 4.586 -3.156 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 14.371 3.865 -2.253 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.603 4.200 -3.902 1.00 0.71 H new ATOM 92 N LEU A 6 8.725 2.499 -0.096 1.00 0.26 N ATOM 93 CA LEU A 6 7.336 2.118 0.130 1.00 0.33 C ATOM 94 C LEU A 6 6.532 2.189 -1.163 1.00 0.27 C ATOM 95 O LEU A 6 6.418 3.250 -1.777 1.00 0.29 O ATOM 96 CB LEU A 6 6.690 3.030 1.180 1.00 0.45 C ATOM 97 CG LEU A 6 6.841 2.575 2.632 1.00 0.70 C ATOM 98 CD1 LEU A 6 8.293 2.631 3.076 1.00 1.39 C ATOM 99 CD2 LEU A 6 5.976 3.422 3.548 1.00 1.08 C ATOM 0 H LEU A 6 8.855 3.480 -0.343 1.00 0.26 H new ATOM 0 HA LEU A 6 7.331 1.090 0.493 1.00 0.33 H new ATOM 0 HB2 LEU A 6 7.120 4.027 1.084 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.627 3.118 0.954 1.00 0.45 H new ATOM 0 HG LEU A 6 6.508 1.539 2.695 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.370 2.302 4.112 1.00 1.39 H new ATOM 0 HD12 LEU A 6 8.893 1.977 2.443 1.00 1.39 H new ATOM 0 HD13 LEU A 6 8.660 3.654 2.992 1.00 1.39 H new ATOM 0 HD21 LEU A 6 6.096 3.084 4.577 1.00 1.08 H new ATOM 0 HD22 LEU A 6 6.279 4.466 3.471 1.00 1.08 H new ATOM 0 HD23 LEU A 6 4.931 3.325 3.254 1.00 1.08 H new ATOM 111 N VAL A 7 5.975 1.066 -1.584 1.00 0.26 N ATOM 112 CA VAL A 7 5.175 1.039 -2.795 1.00 0.26 C ATOM 113 C VAL A 7 3.715 0.784 -2.453 1.00 0.30 C ATOM 114 O VAL A 7 3.368 -0.238 -1.854 1.00 0.39 O ATOM 115 CB VAL A 7 5.672 -0.035 -3.784 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.793 -0.083 -5.025 1.00 0.81 C ATOM 117 CG2 VAL A 7 7.125 0.202 -4.167 1.00 0.74 C ATOM 0 H VAL A 7 6.061 0.168 -1.109 1.00 0.26 H new ATOM 0 HA VAL A 7 5.275 2.012 -3.276 1.00 0.26 H new ATOM 0 HB VAL A 7 5.607 -1.001 -3.283 1.00 0.32 H new ATOM 0 HG11 VAL A 7 5.166 -0.849 -5.705 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.769 -0.321 -4.737 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.814 0.886 -5.523 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.448 -0.570 -4.865 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.222 1.180 -4.638 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.747 0.166 -3.273 1.00 0.74 H new ATOM 127 N VAL A 8 2.863 1.726 -2.824 1.00 0.28 N ATOM 128 CA VAL A 8 1.442 1.611 -2.562 1.00 0.33 C ATOM 129 C VAL A 8 0.751 0.964 -3.749 1.00 0.37 C ATOM 130 O VAL A 8 0.694 1.548 -4.833 1.00 0.41 O ATOM 131 CB VAL A 8 0.800 2.985 -2.277 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.703 2.860 -2.078 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.444 3.632 -1.064 1.00 0.37 C ATOM 0 H VAL A 8 3.135 2.581 -3.309 1.00 0.28 H new ATOM 0 HA VAL A 8 1.317 0.991 -1.674 1.00 0.33 H new ATOM 0 HB VAL A 8 0.972 3.621 -3.145 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.127 3.844 -1.879 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.156 2.445 -2.978 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.905 2.201 -1.234 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.979 4.600 -0.878 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.307 2.990 -0.194 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.509 3.771 -1.248 1.00 0.37 H new ATOM 143 N VAL A 9 0.241 -0.240 -3.543 1.00 0.40 N ATOM 144 CA VAL A 9 -0.442 -0.975 -4.603 1.00 0.46 C ATOM 145 C VAL A 9 -1.916 -1.166 -4.261 1.00 0.52 C ATOM 146 O VAL A 9 -2.406 -0.639 -3.259 1.00 0.70 O ATOM 147 CB VAL A 9 0.206 -2.358 -4.864 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.506 -2.200 -5.630 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.442 -3.108 -3.559 1.00 0.59 C ATOM 0 H VAL A 9 0.286 -0.732 -2.651 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.349 -0.378 -5.510 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.485 -2.945 -5.469 1.00 0.49 H new ATOM 0 HG11 VAL A 9 1.947 -3.181 -5.804 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.308 -1.716 -6.586 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.198 -1.589 -5.050 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.898 -4.075 -3.772 1.00 0.59 H new ATOM 0 HG22 VAL A 9 1.107 -2.527 -2.920 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -0.509 -3.260 -3.049 1.00 0.59 H new ATOM 159 N GLY A 10 -2.618 -1.901 -5.106 1.00 0.44 N ATOM 160 CA GLY A 10 -4.021 -2.153 -4.875 1.00 0.51 C ATOM 161 C GLY A 10 -4.809 -2.161 -6.164 1.00 0.51 C ATOM 162 O GLY A 10 -4.235 -2.028 -7.247 1.00 0.53 O ATOM 0 H GLY A 10 -2.239 -2.329 -5.951 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.140 -3.112 -4.370 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.422 -1.390 -4.208 1.00 0.51 H new ATOM 166 N ALA A 11 -6.118 -2.304 -6.051 1.00 0.52 N ATOM 167 CA ALA A 11 -6.985 -2.334 -7.217 1.00 0.53 C ATOM 168 C ALA A 11 -7.162 -0.940 -7.808 1.00 0.50 C ATOM 169 O ALA A 11 -6.544 0.022 -7.350 1.00 0.50 O ATOM 170 CB ALA A 11 -8.325 -2.950 -6.850 1.00 0.58 C ATOM 0 H ALA A 11 -6.606 -2.402 -5.160 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.517 -2.952 -7.983 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.970 -2.969 -7.729 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.171 -3.967 -6.490 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.796 -2.356 -6.067 1.00 0.58 H new ATOM 176 N GLY A 12 -8.010 -0.829 -8.820 1.00 0.55 N ATOM 177 CA GLY A 12 -8.233 0.453 -9.458 1.00 0.54 C ATOM 178 C GLY A 12 -9.262 1.305 -8.742 1.00 0.54 C ATOM 179 O GLY A 12 -10.341 0.825 -8.390 1.00 0.80 O ATOM 0 H GLY A 12 -8.547 -1.603 -9.211 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -7.290 0.997 -9.505 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -8.558 0.289 -10.485 1.00 0.54 H new ATOM 183 N GLY A 13 -8.914 2.565 -8.503 1.00 0.34 N ATOM 184 CA GLY A 13 -9.825 3.488 -7.850 1.00 0.40 C ATOM 185 C GLY A 13 -9.977 3.248 -6.359 1.00 0.40 C ATOM 186 O GLY A 13 -10.924 3.739 -5.746 1.00 0.42 O ATOM 0 H GLY A 13 -8.010 2.966 -8.752 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -9.472 4.507 -8.010 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -10.804 3.412 -8.322 1.00 0.40 H new ATOM 190 N VAL A 14 -9.051 2.512 -5.760 1.00 0.39 N ATOM 191 CA VAL A 14 -9.134 2.238 -4.329 1.00 0.41 C ATOM 192 C VAL A 14 -8.693 3.451 -3.513 1.00 0.44 C ATOM 193 O VAL A 14 -9.239 3.720 -2.441 1.00 0.57 O ATOM 194 CB VAL A 14 -8.307 0.999 -3.915 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.936 -0.266 -4.470 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.864 1.123 -4.380 1.00 0.43 C ATOM 0 H VAL A 14 -8.246 2.099 -6.231 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.181 2.023 -4.117 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.306 0.942 -2.827 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.342 -1.129 -4.170 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.949 -0.369 -4.081 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.969 -0.209 -5.558 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.306 0.238 -4.075 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.838 1.212 -5.466 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.412 2.008 -3.933 1.00 0.43 H new ATOM 206 N GLY A 15 -7.718 4.189 -4.035 1.00 0.39 N ATOM 207 CA GLY A 15 -7.236 5.369 -3.346 1.00 0.42 C ATOM 208 C GLY A 15 -5.723 5.440 -3.273 1.00 0.43 C ATOM 209 O GLY A 15 -5.179 6.119 -2.406 1.00 0.49 O ATOM 0 H GLY A 15 -7.255 3.990 -4.922 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -7.611 6.257 -3.854 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -7.643 5.384 -2.335 1.00 0.42 H new ATOM 213 N LYS A 16 -5.041 4.777 -4.209 1.00 0.41 N ATOM 214 CA LYS A 16 -3.576 4.760 -4.229 1.00 0.45 C ATOM 215 C LYS A 16 -3.011 6.180 -4.285 1.00 0.47 C ATOM 216 O LYS A 16 -2.036 6.503 -3.606 1.00 0.58 O ATOM 217 CB LYS A 16 -3.069 3.952 -5.433 1.00 0.46 C ATOM 218 CG LYS A 16 -3.733 2.591 -5.596 1.00 0.65 C ATOM 219 CD LYS A 16 -3.850 2.187 -7.060 1.00 0.79 C ATOM 220 CE LYS A 16 -2.969 0.992 -7.386 1.00 0.78 C ATOM 221 NZ LYS A 16 -3.351 0.361 -8.680 1.00 0.81 N ATOM 0 H LYS A 16 -5.478 4.246 -4.962 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.233 4.287 -3.308 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.231 4.534 -6.341 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -1.993 3.809 -5.333 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.157 1.839 -5.057 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.725 2.615 -5.146 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -4.888 1.947 -7.289 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -3.570 3.029 -7.693 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -1.927 1.309 -7.430 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.044 0.256 -6.586 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -2.739 -0.460 -8.860 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -4.343 0.051 -8.636 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -3.238 1.051 -9.450 1.00 0.81 H new ATOM 235 N SER A 17 -3.637 7.032 -5.092 1.00 0.40 N ATOM 236 CA SER A 17 -3.192 8.417 -5.242 1.00 0.41 C ATOM 237 C SER A 17 -3.805 9.336 -4.184 1.00 0.40 C ATOM 238 O SER A 17 -3.560 10.537 -4.190 1.00 0.58 O ATOM 239 CB SER A 17 -3.544 8.932 -6.641 1.00 0.43 C ATOM 240 OG SER A 17 -3.464 7.887 -7.615 1.00 0.44 O ATOM 0 H SER A 17 -4.454 6.789 -5.653 1.00 0.40 H new ATOM 0 HA SER A 17 -2.111 8.429 -5.104 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.551 9.350 -6.634 1.00 0.43 H new ATOM 0 HB3 SER A 17 -2.866 9.740 -6.915 1.00 0.43 H new ATOM 0 HG SER A 17 -2.531 7.765 -7.888 1.00 0.44 H new ATOM 246 N ALA A 18 -4.594 8.773 -3.280 1.00 0.41 N ATOM 247 CA ALA A 18 -5.237 9.564 -2.235 1.00 0.40 C ATOM 248 C ALA A 18 -4.482 9.437 -0.919 1.00 0.41 C ATOM 249 O ALA A 18 -4.237 10.433 -0.235 1.00 0.43 O ATOM 250 CB ALA A 18 -6.688 9.143 -2.059 1.00 0.43 C ATOM 0 H ALA A 18 -4.805 7.776 -3.247 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.217 10.610 -2.541 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.149 9.745 -1.276 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.226 9.292 -2.995 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -6.730 8.090 -1.780 1.00 0.43 H new ATOM 256 N LEU A 19 -4.108 8.206 -0.577 1.00 0.44 N ATOM 257 CA LEU A 19 -3.371 7.929 0.654 1.00 0.50 C ATOM 258 C LEU A 19 -2.063 8.702 0.676 1.00 0.48 C ATOM 259 O LEU A 19 -1.677 9.286 1.688 1.00 0.51 O ATOM 260 CB LEU A 19 -3.058 6.435 0.762 1.00 0.60 C ATOM 261 CG LEU A 19 -4.237 5.488 0.555 1.00 0.76 C ATOM 262 CD1 LEU A 19 -3.764 4.048 0.642 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.322 5.766 1.582 1.00 0.79 C ATOM 0 H LEU A 19 -4.305 7.379 -1.140 1.00 0.44 H new ATOM 0 HA LEU A 19 -3.993 8.237 1.494 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -2.289 6.191 0.029 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -2.632 6.243 1.747 1.00 0.60 H new ATOM 0 HG LEU A 19 -4.659 5.654 -0.436 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -4.610 3.377 0.493 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -3.015 3.864 -0.129 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -3.326 3.868 1.624 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.157 5.084 1.423 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -4.920 5.620 2.585 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -5.668 6.794 1.476 1.00 0.79 H new ATOM 275 N THR A 20 -1.399 8.707 -0.467 1.00 0.49 N ATOM 276 CA THR A 20 -0.127 9.380 -0.616 1.00 0.54 C ATOM 277 C THR A 20 -0.247 10.880 -0.351 1.00 0.49 C ATOM 278 O THR A 20 0.476 11.434 0.476 1.00 0.50 O ATOM 279 CB THR A 20 0.425 9.146 -2.029 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.659 8.846 -2.921 1.00 0.89 O ATOM 281 CG2 THR A 20 1.413 7.992 -2.042 1.00 0.74 C ATOM 0 H THR A 20 -1.728 8.245 -1.314 1.00 0.49 H new ATOM 0 HA THR A 20 0.558 8.963 0.122 1.00 0.54 H new ATOM 0 HB THR A 20 0.940 10.051 -2.351 1.00 0.64 H new ATOM 0 HG1 THR A 20 -0.796 7.876 -2.954 1.00 0.89 H new ATOM 0 HG21 THR A 20 1.789 7.847 -3.055 1.00 0.74 H new ATOM 0 HG22 THR A 20 2.245 8.218 -1.375 1.00 0.74 H new ATOM 0 HG23 THR A 20 0.915 7.083 -1.706 1.00 0.74 H new ATOM 289 N ILE A 21 -1.185 11.525 -1.030 1.00 0.48 N ATOM 290 CA ILE A 21 -1.394 12.958 -0.877 1.00 0.50 C ATOM 291 C ILE A 21 -1.879 13.304 0.534 1.00 0.43 C ATOM 292 O ILE A 21 -1.569 14.376 1.060 1.00 0.43 O ATOM 293 CB ILE A 21 -2.380 13.501 -1.935 1.00 0.59 C ATOM 294 CG1 ILE A 21 -1.851 13.180 -3.335 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.589 15.003 -1.763 1.00 0.79 C ATOM 296 CD1 ILE A 21 -2.682 13.759 -4.459 1.00 0.76 C ATOM 0 H ILE A 21 -1.816 11.077 -1.695 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.430 13.441 -1.033 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.348 13.018 -1.801 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.831 13.556 -3.421 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.803 12.098 -3.454 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.287 15.362 -2.519 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -2.994 15.203 -0.771 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.635 15.518 -1.876 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.239 13.486 -5.417 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.696 13.364 -4.402 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -2.710 14.845 -4.369 1.00 0.76 H new ATOM 308 N GLN A 22 -2.619 12.391 1.155 1.00 0.41 N ATOM 309 CA GLN A 22 -3.117 12.608 2.513 1.00 0.37 C ATOM 310 C GLN A 22 -1.961 12.579 3.514 1.00 0.37 C ATOM 311 O GLN A 22 -2.059 13.126 4.610 1.00 0.46 O ATOM 312 CB GLN A 22 -4.160 11.550 2.892 1.00 0.40 C ATOM 313 CG GLN A 22 -5.602 12.034 2.791 1.00 0.43 C ATOM 314 CD GLN A 22 -6.007 12.933 3.946 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.178 13.612 4.550 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.287 12.936 4.270 1.00 0.41 N ATOM 0 H GLN A 22 -2.887 11.497 0.744 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.593 13.588 2.544 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.033 10.682 2.245 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -3.970 11.217 3.912 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.734 12.574 1.854 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.268 11.172 2.758 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -7.947 12.360 3.747 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.616 13.514 5.043 1.00 0.41 H new ATOM 325 N LEU A 23 -0.867 11.939 3.124 1.00 0.41 N ATOM 326 CA LEU A 23 0.310 11.841 3.978 1.00 0.44 C ATOM 327 C LEU A 23 1.303 12.961 3.659 1.00 0.40 C ATOM 328 O LEU A 23 2.083 13.384 4.515 1.00 0.49 O ATOM 329 CB LEU A 23 0.975 10.470 3.787 1.00 0.54 C ATOM 330 CG LEU A 23 2.208 10.205 4.652 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.815 9.947 6.095 1.00 1.37 C ATOM 332 CD2 LEU A 23 2.997 9.033 4.097 1.00 1.25 C ATOM 0 H LEU A 23 -0.770 11.479 2.219 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.000 11.947 5.017 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.236 9.696 3.994 1.00 0.54 H new ATOM 0 HB3 LEU A 23 1.260 10.367 2.740 1.00 0.54 H new ATOM 0 HG LEU A 23 2.839 11.094 4.629 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.710 9.761 6.688 1.00 1.37 H new ATOM 0 HD12 LEU A 23 1.291 10.817 6.491 1.00 1.37 H new ATOM 0 HD13 LEU A 23 1.161 9.077 6.144 1.00 1.37 H new ATOM 0 HD21 LEU A 23 3.872 8.855 4.722 1.00 1.25 H new ATOM 0 HD22 LEU A 23 2.369 8.142 4.090 1.00 1.25 H new ATOM 0 HD23 LEU A 23 3.317 9.259 3.080 1.00 1.25 H new ATOM 344 N ILE A 24 1.264 13.445 2.421 1.00 0.37 N ATOM 345 CA ILE A 24 2.165 14.504 1.982 1.00 0.39 C ATOM 346 C ILE A 24 1.567 15.890 2.231 1.00 0.46 C ATOM 347 O ILE A 24 2.129 16.701 2.972 1.00 0.58 O ATOM 348 CB ILE A 24 2.503 14.364 0.480 1.00 0.40 C ATOM 349 CG1 ILE A 24 3.092 12.983 0.178 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.461 15.458 0.040 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.442 12.728 0.817 1.00 0.37 C ATOM 0 H ILE A 24 0.616 13.119 1.703 1.00 0.37 H new ATOM 0 HA ILE A 24 3.078 14.401 2.569 1.00 0.39 H new ATOM 0 HB ILE A 24 1.576 14.470 -0.084 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.392 12.220 0.518 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.187 12.870 -0.902 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.685 15.340 -1.020 1.00 0.47 H new ATOM 0 HG22 ILE A 24 3.002 16.432 0.208 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.384 15.387 0.616 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.787 11.728 0.553 1.00 0.37 H new ATOM 0 HD12 ILE A 24 5.160 13.466 0.458 1.00 0.37 H new ATOM 0 HD13 ILE A 24 4.352 12.806 1.900 1.00 0.37 H new ATOM 363 N GLN A 25 0.420 16.158 1.621 1.00 0.46 N ATOM 364 CA GLN A 25 -0.236 17.453 1.761 1.00 0.55 C ATOM 365 C GLN A 25 -1.241 17.446 2.900 1.00 0.50 C ATOM 366 O GLN A 25 -1.719 18.503 3.314 1.00 0.58 O ATOM 367 CB GLN A 25 -0.939 17.843 0.465 1.00 0.65 C ATOM 368 CG GLN A 25 0.015 18.219 -0.655 1.00 0.82 C ATOM 369 CD GLN A 25 -0.705 18.851 -1.829 1.00 1.04 C ATOM 370 OE1 GLN A 25 -0.937 20.057 -1.846 1.00 1.68 O ATOM 371 NE2 GLN A 25 -1.062 18.049 -2.820 1.00 1.38 N ATOM 0 H GLN A 25 -0.076 15.496 1.024 1.00 0.46 H new ATOM 0 HA GLN A 25 0.538 18.186 1.987 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -1.563 17.012 0.136 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.605 18.683 0.661 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.765 18.912 -0.274 1.00 0.82 H new ATOM 0 HG3 GLN A 25 0.546 17.329 -0.992 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -0.852 17.052 -2.770 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -1.547 18.428 -3.633 1.00 1.38 H new ATOM 380 N ASN A 26 -1.576 16.251 3.379 1.00 0.44 N ATOM 381 CA ASN A 26 -2.523 16.081 4.488 1.00 0.49 C ATOM 382 C ASN A 26 -3.932 16.509 4.098 1.00 0.46 C ATOM 383 O ASN A 26 -4.744 16.852 4.956 1.00 0.58 O ATOM 384 CB ASN A 26 -2.066 16.861 5.728 1.00 0.61 C ATOM 385 CG ASN A 26 -0.947 16.169 6.487 1.00 1.02 C ATOM 386 OD1 ASN A 26 -0.184 15.388 5.922 1.00 1.40 O ATOM 387 ND2 ASN A 26 -0.821 16.471 7.772 1.00 1.60 N ATOM 0 H ASN A 26 -1.203 15.374 3.015 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.544 15.018 4.727 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.731 17.853 5.423 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.916 17.002 6.395 1.00 0.61 H new ATOM 0 HD21 ASN A 26 -0.073 16.051 8.324 1.00 1.60 H new ATOM 0 HD22 ASN A 26 -1.472 17.123 8.209 1.00 1.60 H new ATOM 394 N HIS A 27 -4.237 16.473 2.807 1.00 0.41 N ATOM 395 CA HIS A 27 -5.561 16.853 2.345 1.00 0.44 C ATOM 396 C HIS A 27 -6.113 15.773 1.422 1.00 0.43 C ATOM 397 O HIS A 27 -5.361 15.128 0.690 1.00 0.46 O ATOM 398 CB HIS A 27 -5.541 18.234 1.658 1.00 0.51 C ATOM 399 CG HIS A 27 -5.433 18.214 0.159 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.525 18.309 -0.676 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.353 18.122 -0.650 1.00 0.67 C ATOM 402 CE1 HIS A 27 -6.118 18.283 -1.932 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.805 18.170 -1.939 1.00 0.74 N ATOM 0 H HIS A 27 -3.592 16.188 2.070 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.222 16.941 3.207 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.451 18.769 1.931 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -4.703 18.806 2.057 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -3.324 18.028 -0.336 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -6.752 18.344 -2.804 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -4.220 18.125 -2.773 1.00 0.74 H new ATOM 412 N PHE A 28 -7.419 15.579 1.461 1.00 0.44 N ATOM 413 CA PHE A 28 -8.069 14.569 0.641 1.00 0.45 C ATOM 414 C PHE A 28 -8.380 15.108 -0.752 1.00 0.45 C ATOM 415 O PHE A 28 -8.947 16.192 -0.894 1.00 0.52 O ATOM 416 CB PHE A 28 -9.359 14.111 1.316 1.00 0.52 C ATOM 417 CG PHE A 28 -10.086 13.030 0.569 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.524 11.773 0.435 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.328 13.271 0.007 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.188 10.773 -0.247 1.00 0.49 C ATOM 421 CE2 PHE A 28 -11.997 12.276 -0.677 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.428 11.025 -0.804 1.00 0.48 C ATOM 0 H PHE A 28 -8.055 16.111 2.055 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.389 13.724 0.536 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.125 13.752 2.318 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.022 14.969 1.431 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.556 11.572 0.869 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.778 14.248 0.105 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -9.739 9.795 -0.345 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -12.965 12.476 -1.112 1.00 0.60 H new ATOM 0 HZ PHE A 28 -11.950 10.245 -1.337 1.00 0.48 H new ATOM 432 N VAL A 29 -7.991 14.355 -1.774 1.00 0.46 N ATOM 433 CA VAL A 29 -8.240 14.738 -3.156 1.00 0.49 C ATOM 434 C VAL A 29 -9.493 14.043 -3.670 1.00 0.52 C ATOM 435 O VAL A 29 -9.605 12.818 -3.610 1.00 0.61 O ATOM 436 CB VAL A 29 -7.045 14.393 -4.068 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.308 14.799 -5.511 1.00 0.55 C ATOM 438 CG2 VAL A 29 -5.787 15.065 -3.555 1.00 0.64 C ATOM 0 H VAL A 29 -7.498 13.468 -1.668 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.381 15.819 -3.179 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.909 13.312 -4.047 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.445 14.541 -6.125 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.188 14.273 -5.882 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.480 15.874 -5.561 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -4.949 14.815 -4.206 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -5.929 16.146 -3.546 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.576 14.719 -2.543 1.00 0.64 H new ATOM 448 N ASP A 30 -10.429 14.837 -4.166 1.00 0.55 N ATOM 449 CA ASP A 30 -11.695 14.327 -4.679 1.00 0.63 C ATOM 450 C ASP A 30 -11.531 13.678 -6.050 1.00 0.60 C ATOM 451 O ASP A 30 -12.036 12.584 -6.291 1.00 0.72 O ATOM 452 CB ASP A 30 -12.714 15.465 -4.763 1.00 0.75 C ATOM 453 CG ASP A 30 -13.958 15.090 -5.540 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.088 15.508 -6.713 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.825 14.387 -4.975 1.00 0.99 O ATOM 0 H ASP A 30 -10.335 15.851 -4.225 1.00 0.55 H new ATOM 0 HA ASP A 30 -12.050 13.561 -3.989 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -12.999 15.765 -3.755 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.246 16.330 -5.233 1.00 0.75 H new ATOM 460 N GLU A 31 -10.819 14.353 -6.941 1.00 0.54 N ATOM 461 CA GLU A 31 -10.611 13.844 -8.286 1.00 0.59 C ATOM 462 C GLU A 31 -9.137 13.882 -8.665 1.00 0.53 C ATOM 463 O GLU A 31 -8.497 14.931 -8.613 1.00 0.53 O ATOM 464 CB GLU A 31 -11.433 14.664 -9.281 1.00 0.69 C ATOM 465 CG GLU A 31 -11.609 14.005 -10.639 1.00 0.83 C ATOM 466 CD GLU A 31 -12.256 12.637 -10.547 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.568 11.632 -10.822 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.458 12.564 -10.202 1.00 1.16 O ATOM 0 H GLU A 31 -10.377 15.253 -6.756 1.00 0.54 H new ATOM 0 HA GLU A 31 -10.939 12.805 -8.316 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.417 14.854 -8.852 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.953 15.633 -9.420 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -12.218 14.648 -11.274 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.636 13.910 -11.121 1.00 0.83 H new ATOM 475 N TYR A 32 -8.602 12.731 -9.038 1.00 0.50 N ATOM 476 CA TYR A 32 -7.207 12.621 -9.432 1.00 0.46 C ATOM 477 C TYR A 32 -7.080 11.579 -10.535 1.00 0.44 C ATOM 478 O TYR A 32 -7.841 10.608 -10.561 1.00 0.48 O ATOM 479 CB TYR A 32 -6.345 12.229 -8.227 1.00 0.46 C ATOM 480 CG TYR A 32 -4.866 12.495 -8.405 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.319 13.734 -8.084 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.014 11.504 -8.885 1.00 0.46 C ATOM 483 CE1 TYR A 32 -2.965 13.977 -8.236 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.660 11.741 -9.040 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.141 12.978 -8.713 1.00 0.54 C ATOM 486 OH TYR A 32 -0.793 13.214 -8.859 1.00 0.60 O ATOM 0 H TYR A 32 -9.118 11.852 -9.076 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.857 13.584 -9.803 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.697 12.774 -7.351 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.489 11.168 -8.022 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -4.961 14.518 -7.711 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.417 10.535 -9.140 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.555 14.944 -7.983 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.012 10.962 -9.415 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.390 13.363 -7.978 1.00 0.60 H new ATOM 496 N ASP A 33 -6.140 11.788 -11.447 1.00 0.43 N ATOM 497 CA ASP A 33 -5.928 10.861 -12.553 1.00 0.42 C ATOM 498 C ASP A 33 -5.297 9.565 -12.047 1.00 0.39 C ATOM 499 O ASP A 33 -4.198 9.573 -11.483 1.00 0.42 O ATOM 500 CB ASP A 33 -5.041 11.508 -13.613 1.00 0.50 C ATOM 501 CG ASP A 33 -5.205 10.875 -14.980 1.00 0.55 C ATOM 502 OD1 ASP A 33 -5.122 9.634 -15.087 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.414 11.624 -15.960 1.00 0.60 O ATOM 0 H ASP A 33 -5.511 12.591 -11.444 1.00 0.43 H new ATOM 0 HA ASP A 33 -6.892 10.621 -13.001 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.277 12.570 -13.679 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -3.998 11.431 -13.304 1.00 0.50 H new ATOM 508 N PRO A 34 -5.988 8.431 -12.235 1.00 0.38 N ATOM 509 CA PRO A 34 -5.501 7.127 -11.776 1.00 0.41 C ATOM 510 C PRO A 34 -4.309 6.601 -12.578 1.00 0.42 C ATOM 511 O PRO A 34 -3.597 5.709 -12.119 1.00 0.52 O ATOM 512 CB PRO A 34 -6.713 6.210 -11.957 1.00 0.50 C ATOM 513 CG PRO A 34 -7.547 6.853 -13.008 1.00 0.49 C ATOM 514 CD PRO A 34 -7.303 8.334 -12.905 1.00 0.42 C ATOM 0 HA PRO A 34 -5.131 7.184 -10.752 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -6.406 5.209 -12.259 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.268 6.106 -11.025 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.276 6.484 -13.997 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.602 6.623 -12.860 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.287 8.806 -13.888 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.084 8.828 -12.327 1.00 0.42 H new ATOM 522 N THR A 35 -4.086 7.161 -13.762 1.00 0.37 N ATOM 523 CA THR A 35 -2.986 6.723 -14.617 1.00 0.42 C ATOM 524 C THR A 35 -1.661 7.353 -14.189 1.00 0.40 C ATOM 525 O THR A 35 -0.595 7.002 -14.699 1.00 0.41 O ATOM 526 CB THR A 35 -3.261 7.059 -16.094 1.00 0.52 C ATOM 527 OG1 THR A 35 -4.647 7.399 -16.261 1.00 0.74 O ATOM 528 CG2 THR A 35 -2.905 5.878 -16.993 1.00 0.89 C ATOM 0 H THR A 35 -4.650 7.917 -14.152 1.00 0.37 H new ATOM 0 HA THR A 35 -2.911 5.641 -14.508 1.00 0.42 H new ATOM 0 HB THR A 35 -2.640 7.908 -16.380 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.759 8.368 -16.171 1.00 0.74 H new ATOM 0 HG21 THR A 35 -3.107 6.138 -18.032 1.00 0.89 H new ATOM 0 HG22 THR A 35 -1.848 5.639 -16.878 1.00 0.89 H new ATOM 0 HG23 THR A 35 -3.505 5.013 -16.712 1.00 0.89 H new ATOM 536 N ILE A 36 -1.730 8.284 -13.250 1.00 0.45 N ATOM 537 CA ILE A 36 -0.537 8.948 -12.760 1.00 0.48 C ATOM 538 C ILE A 36 0.180 8.081 -11.728 1.00 0.47 C ATOM 539 O ILE A 36 -0.386 7.723 -10.687 1.00 0.54 O ATOM 540 CB ILE A 36 -0.872 10.323 -12.152 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.319 11.289 -13.256 1.00 0.62 C ATOM 542 CG2 ILE A 36 0.324 10.885 -11.396 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.788 12.632 -12.740 1.00 0.73 C ATOM 0 H ILE A 36 -2.598 8.595 -12.814 1.00 0.45 H new ATOM 0 HA ILE A 36 0.126 9.102 -13.612 1.00 0.48 H new ATOM 0 HB ILE A 36 -1.690 10.201 -11.442 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.490 11.445 -13.947 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.126 10.827 -13.825 1.00 0.62 H new ATOM 0 HG21 ILE A 36 0.065 11.856 -10.975 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.599 10.203 -10.592 1.00 0.65 H new ATOM 0 HG23 ILE A 36 1.166 10.999 -12.079 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -2.088 13.260 -13.579 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.638 12.489 -12.073 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.977 13.116 -12.196 1.00 0.73 H new ATOM 555 N GLU A 37 1.419 7.738 -12.046 1.00 0.49 N ATOM 556 CA GLU A 37 2.254 6.927 -11.182 1.00 0.48 C ATOM 557 C GLU A 37 3.475 7.744 -10.778 1.00 0.50 C ATOM 558 O GLU A 37 4.550 7.601 -11.357 1.00 0.79 O ATOM 559 CB GLU A 37 2.674 5.642 -11.911 1.00 0.51 C ATOM 560 CG GLU A 37 3.319 4.603 -11.012 1.00 0.57 C ATOM 561 CD GLU A 37 3.275 3.210 -11.611 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.342 2.443 -11.282 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.165 2.881 -12.426 1.00 0.81 O ATOM 0 H GLU A 37 1.873 8.017 -12.916 1.00 0.49 H new ATOM 0 HA GLU A 37 1.700 6.640 -10.288 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.796 5.202 -12.385 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.371 5.900 -12.708 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.356 4.882 -10.825 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.812 4.597 -10.047 1.00 0.57 H new ATOM 570 N ASP A 38 3.292 8.625 -9.806 1.00 0.30 N ATOM 571 CA ASP A 38 4.372 9.491 -9.346 1.00 0.33 C ATOM 572 C ASP A 38 4.891 9.043 -7.986 1.00 0.31 C ATOM 573 O ASP A 38 4.200 8.336 -7.249 1.00 0.34 O ATOM 574 CB ASP A 38 3.883 10.938 -9.269 1.00 0.42 C ATOM 575 CG ASP A 38 5.018 11.933 -9.115 1.00 0.54 C ATOM 576 OD1 ASP A 38 6.100 11.699 -9.696 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.834 12.957 -8.425 1.00 1.12 O ATOM 0 H ASP A 38 2.406 8.761 -9.319 1.00 0.30 H new ATOM 0 HA ASP A 38 5.192 9.425 -10.061 1.00 0.33 H new ATOM 0 HB2 ASP A 38 3.318 11.175 -10.171 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.198 11.041 -8.427 1.00 0.42 H new ATOM 582 N SER A 39 6.106 9.456 -7.658 1.00 0.33 N ATOM 583 CA SER A 39 6.718 9.108 -6.392 1.00 0.35 C ATOM 584 C SER A 39 6.831 10.343 -5.500 1.00 0.27 C ATOM 585 O SER A 39 7.397 11.365 -5.900 1.00 0.35 O ATOM 586 CB SER A 39 8.096 8.498 -6.640 1.00 0.51 C ATOM 587 OG SER A 39 8.195 7.997 -7.966 1.00 0.78 O ATOM 0 H SER A 39 6.689 10.038 -8.260 1.00 0.33 H new ATOM 0 HA SER A 39 6.093 8.375 -5.881 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.867 9.250 -6.472 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.276 7.693 -5.928 1.00 0.51 H new ATOM 0 HG SER A 39 9.086 7.612 -8.105 1.00 0.78 H new ATOM 593 N TYR A 40 6.276 10.250 -4.305 1.00 0.32 N ATOM 594 CA TYR A 40 6.308 11.356 -3.359 1.00 0.33 C ATOM 595 C TYR A 40 7.373 11.114 -2.297 1.00 0.31 C ATOM 596 O TYR A 40 7.511 10.000 -1.791 1.00 0.35 O ATOM 597 CB TYR A 40 4.934 11.544 -2.713 1.00 0.44 C ATOM 598 CG TYR A 40 3.910 12.140 -3.652 1.00 0.53 C ATOM 599 CD1 TYR A 40 2.936 11.349 -4.246 1.00 0.68 C ATOM 600 CD2 TYR A 40 3.923 13.497 -3.951 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.004 11.894 -5.110 1.00 0.79 C ATOM 602 CE2 TYR A 40 2.992 14.047 -4.811 1.00 0.80 C ATOM 603 CZ TYR A 40 2.036 13.239 -5.387 1.00 0.80 C ATOM 604 OH TYR A 40 1.108 13.782 -6.250 1.00 0.94 O ATOM 0 H TYR A 40 5.795 9.418 -3.964 1.00 0.32 H new ATOM 0 HA TYR A 40 6.562 12.269 -3.898 1.00 0.33 H new ATOM 0 HB2 TYR A 40 4.572 10.579 -2.357 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.035 12.189 -1.840 1.00 0.44 H new ATOM 0 HD1 TYR A 40 2.906 10.291 -4.030 1.00 0.68 H new ATOM 0 HD2 TYR A 40 4.673 14.132 -3.504 1.00 0.67 H new ATOM 0 HE1 TYR A 40 1.254 11.265 -5.565 1.00 0.79 H new ATOM 0 HE2 TYR A 40 3.013 15.104 -5.031 1.00 0.80 H new ATOM 0 HH TYR A 40 1.267 14.745 -6.338 1.00 0.94 H new ATOM 614 N ARG A 41 8.129 12.151 -1.973 1.00 0.33 N ATOM 615 CA ARG A 41 9.190 12.042 -0.981 1.00 0.34 C ATOM 616 C ARG A 41 8.916 12.938 0.221 1.00 0.40 C ATOM 617 O ARG A 41 8.643 14.129 0.072 1.00 0.53 O ATOM 618 CB ARG A 41 10.543 12.407 -1.600 1.00 0.40 C ATOM 619 CG ARG A 41 11.436 11.208 -1.870 1.00 0.38 C ATOM 620 CD ARG A 41 10.938 10.396 -3.054 1.00 0.36 C ATOM 621 NE ARG A 41 11.028 11.137 -4.308 1.00 0.40 N ATOM 622 CZ ARG A 41 11.093 10.569 -5.511 1.00 0.48 C ATOM 623 NH1 ARG A 41 11.075 9.246 -5.635 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.166 11.329 -6.596 1.00 0.56 N ATOM 0 H ARG A 41 8.028 13.080 -2.383 1.00 0.33 H new ATOM 0 HA ARG A 41 9.219 11.007 -0.641 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.372 12.939 -2.536 1.00 0.40 H new ATOM 0 HB3 ARG A 41 11.064 13.094 -0.933 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.454 11.547 -2.063 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.474 10.575 -0.984 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.521 9.478 -3.134 1.00 0.36 H new ATOM 0 HD3 ARG A 41 9.903 10.102 -2.881 1.00 0.36 H new ATOM 0 HE ARG A 41 11.042 12.156 -4.260 1.00 0.40 H new ATOM 0 HH11 ARG A 41 11.011 8.657 -4.805 1.00 0.56 H new ATOM 0 HH12 ARG A 41 11.125 8.820 -6.560 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.172 12.345 -6.507 1.00 0.56 H new ATOM 0 HH22 ARG A 41 11.216 10.897 -7.519 1.00 0.56 H new ATOM 638 N LYS A 42 8.983 12.358 1.410 1.00 0.36 N ATOM 639 CA LYS A 42 8.762 13.104 2.640 1.00 0.44 C ATOM 640 C LYS A 42 9.681 12.564 3.732 1.00 0.36 C ATOM 641 O LYS A 42 9.849 11.351 3.857 1.00 0.32 O ATOM 642 CB LYS A 42 7.300 12.987 3.079 1.00 0.56 C ATOM 643 CG LYS A 42 6.856 14.083 4.037 1.00 0.72 C ATOM 644 CD LYS A 42 5.483 13.794 4.624 1.00 1.07 C ATOM 645 CE LYS A 42 5.028 14.911 5.551 1.00 1.33 C ATOM 646 NZ LYS A 42 3.861 14.502 6.374 1.00 1.46 N ATOM 0 H LYS A 42 9.190 11.369 1.549 1.00 0.36 H new ATOM 0 HA LYS A 42 8.986 14.156 2.465 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.662 13.010 2.195 1.00 0.56 H new ATOM 0 HB3 LYS A 42 7.150 12.018 3.556 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.584 14.179 4.843 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.834 15.038 3.512 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.760 13.671 3.818 1.00 1.07 H new ATOM 0 HD3 LYS A 42 5.511 12.853 5.173 1.00 1.07 H new ATOM 0 HE2 LYS A 42 5.851 15.199 6.205 1.00 1.33 H new ATOM 0 HE3 LYS A 42 4.767 15.790 4.961 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.537 15.310 6.943 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 3.090 14.187 5.751 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 4.137 13.723 7.005 1.00 1.46 H new ATOM 660 N GLN A 43 10.283 13.452 4.512 1.00 0.46 N ATOM 661 CA GLN A 43 11.186 13.034 5.577 1.00 0.42 C ATOM 662 C GLN A 43 10.625 13.439 6.938 1.00 0.48 C ATOM 663 O GLN A 43 10.388 14.619 7.194 1.00 0.63 O ATOM 664 CB GLN A 43 12.598 13.615 5.372 1.00 0.53 C ATOM 665 CG GLN A 43 12.643 15.131 5.210 1.00 0.73 C ATOM 666 CD GLN A 43 12.300 15.592 3.805 1.00 1.26 C ATOM 667 OE1 GLN A 43 12.525 14.882 2.827 1.00 1.75 O ATOM 668 NE2 GLN A 43 11.753 16.789 3.696 1.00 1.89 N ATOM 0 H GLN A 43 10.164 14.462 4.428 1.00 0.46 H new ATOM 0 HA GLN A 43 11.268 11.948 5.545 1.00 0.42 H new ATOM 0 HB2 GLN A 43 13.219 13.335 6.223 1.00 0.53 H new ATOM 0 HB3 GLN A 43 13.041 13.155 4.489 1.00 0.53 H new ATOM 0 HG2 GLN A 43 11.947 15.586 5.915 1.00 0.73 H new ATOM 0 HG3 GLN A 43 13.639 15.488 5.470 1.00 0.73 H new ATOM 0 HE21 GLN A 43 11.581 17.349 4.531 1.00 1.89 H new ATOM 0 HE22 GLN A 43 11.502 17.153 2.777 1.00 1.89 H new ATOM 677 N VAL A 44 10.377 12.450 7.788 1.00 0.41 N ATOM 678 CA VAL A 44 9.834 12.673 9.123 1.00 0.50 C ATOM 679 C VAL A 44 10.542 11.767 10.130 1.00 0.41 C ATOM 680 O VAL A 44 11.070 10.715 9.760 1.00 0.38 O ATOM 681 CB VAL A 44 8.307 12.386 9.167 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.704 12.782 10.508 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.582 13.104 8.037 1.00 1.09 C ATOM 0 H VAL A 44 10.547 11.468 7.571 1.00 0.41 H new ATOM 0 HA VAL A 44 9.999 13.719 9.380 1.00 0.50 H new ATOM 0 HB VAL A 44 8.178 11.311 9.038 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.635 12.568 10.504 1.00 0.92 H new ATOM 0 HG12 VAL A 44 8.185 12.215 11.305 1.00 0.92 H new ATOM 0 HG13 VAL A 44 7.860 13.848 10.677 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.516 12.885 8.092 1.00 1.09 H new ATOM 0 HG22 VAL A 44 7.737 14.179 8.130 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.973 12.762 7.079 1.00 1.09 H new ATOM 693 N VAL A 45 10.590 12.196 11.385 1.00 0.46 N ATOM 694 CA VAL A 45 11.210 11.410 12.445 1.00 0.41 C ATOM 695 C VAL A 45 10.275 10.279 12.858 1.00 0.46 C ATOM 696 O VAL A 45 9.286 10.502 13.554 1.00 0.65 O ATOM 697 CB VAL A 45 11.535 12.271 13.685 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.418 11.506 14.656 1.00 0.47 C ATOM 699 CG2 VAL A 45 12.197 13.578 13.281 1.00 0.54 C ATOM 0 H VAL A 45 10.205 13.088 11.695 1.00 0.46 H new ATOM 0 HA VAL A 45 12.145 11.009 12.053 1.00 0.41 H new ATOM 0 HB VAL A 45 10.596 12.505 14.186 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.634 12.132 15.522 1.00 0.47 H new ATOM 0 HG12 VAL A 45 11.903 10.602 14.981 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.351 11.234 14.163 1.00 0.47 H new ATOM 0 HG21 VAL A 45 12.416 14.166 14.172 1.00 0.54 H new ATOM 0 HG22 VAL A 45 13.125 13.367 12.749 1.00 0.54 H new ATOM 0 HG23 VAL A 45 11.526 14.140 12.631 1.00 0.54 H new ATOM 709 N ILE A 46 10.584 9.072 12.417 1.00 0.45 N ATOM 710 CA ILE A 46 9.764 7.914 12.728 1.00 0.52 C ATOM 711 C ILE A 46 10.435 7.035 13.780 1.00 0.47 C ATOM 712 O ILE A 46 11.477 6.430 13.521 1.00 0.47 O ATOM 713 CB ILE A 46 9.480 7.078 11.462 1.00 0.65 C ATOM 714 CG1 ILE A 46 9.063 7.989 10.300 1.00 0.79 C ATOM 715 CG2 ILE A 46 8.401 6.039 11.740 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.907 7.256 8.985 1.00 0.81 C ATOM 0 H ILE A 46 11.400 8.868 11.840 1.00 0.45 H new ATOM 0 HA ILE A 46 8.819 8.283 13.126 1.00 0.52 H new ATOM 0 HB ILE A 46 10.395 6.557 11.180 1.00 0.65 H new ATOM 0 HG12 ILE A 46 8.120 8.475 10.550 1.00 0.79 H new ATOM 0 HG13 ILE A 46 9.806 8.777 10.182 1.00 0.79 H new ATOM 0 HG21 ILE A 46 8.213 5.459 10.837 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.733 5.373 12.536 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.483 6.541 12.046 1.00 1.06 H new ATOM 0 HD11 ILE A 46 8.611 7.961 8.208 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.855 6.792 8.712 1.00 0.81 H new ATOM 0 HD13 ILE A 46 8.142 6.486 9.086 1.00 0.81 H new ATOM 728 N ASP A 47 9.834 6.994 14.970 1.00 0.48 N ATOM 729 CA ASP A 47 10.333 6.197 16.099 1.00 0.50 C ATOM 730 C ASP A 47 11.684 6.707 16.590 1.00 0.45 C ATOM 731 O ASP A 47 12.473 5.955 17.162 1.00 0.53 O ATOM 732 CB ASP A 47 10.436 4.710 15.734 1.00 0.56 C ATOM 733 CG ASP A 47 9.081 4.038 15.641 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.384 3.948 16.675 1.00 0.97 O ATOM 735 OD2 ASP A 47 8.703 3.597 14.537 1.00 0.79 O ATOM 0 H ASP A 47 8.983 7.514 15.182 1.00 0.48 H new ATOM 0 HA ASP A 47 9.609 6.306 16.907 1.00 0.50 H new ATOM 0 HB2 ASP A 47 10.954 4.609 14.780 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.041 4.197 16.481 1.00 0.56 H new ATOM 740 N GLY A 48 11.933 7.990 16.384 1.00 0.41 N ATOM 741 CA GLY A 48 13.182 8.582 16.812 1.00 0.43 C ATOM 742 C GLY A 48 14.233 8.563 15.725 1.00 0.43 C ATOM 743 O GLY A 48 15.381 8.943 15.952 1.00 0.60 O ATOM 0 H GLY A 48 11.289 8.635 15.926 1.00 0.41 H new ATOM 0 HA2 GLY A 48 13.005 9.611 17.124 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.555 8.045 17.684 1.00 0.43 H new ATOM 747 N GLU A 49 13.843 8.124 14.538 1.00 0.40 N ATOM 748 CA GLU A 49 14.761 8.059 13.413 1.00 0.43 C ATOM 749 C GLU A 49 14.199 8.792 12.201 1.00 0.34 C ATOM 750 O GLU A 49 13.128 8.449 11.697 1.00 0.36 O ATOM 751 CB GLU A 49 15.052 6.603 13.048 1.00 0.52 C ATOM 752 CG GLU A 49 16.327 6.068 13.678 1.00 0.72 C ATOM 753 CD GLU A 49 17.581 6.593 13.004 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.617 7.785 12.633 1.00 1.30 O ATOM 755 OE2 GLU A 49 18.541 5.809 12.841 1.00 1.41 O ATOM 0 H GLU A 49 12.896 7.807 14.330 1.00 0.40 H new ATOM 0 HA GLU A 49 15.689 8.547 13.711 1.00 0.43 H new ATOM 0 HB2 GLU A 49 14.212 5.983 13.361 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.126 6.515 11.964 1.00 0.52 H new ATOM 0 HG2 GLU A 49 16.347 6.339 14.734 1.00 0.72 H new ATOM 0 HG3 GLU A 49 16.322 4.979 13.629 1.00 0.72 H new ATOM 762 N THR A 50 14.916 9.809 11.742 1.00 0.35 N ATOM 763 CA THR A 50 14.494 10.578 10.583 1.00 0.32 C ATOM 764 C THR A 50 14.788 9.793 9.314 1.00 0.30 C ATOM 765 O THR A 50 15.943 9.648 8.912 1.00 0.38 O ATOM 766 CB THR A 50 15.206 11.945 10.522 1.00 0.45 C ATOM 767 OG1 THR A 50 15.089 12.619 11.783 1.00 0.63 O ATOM 768 CG2 THR A 50 14.619 12.820 9.421 1.00 0.47 C ATOM 0 H THR A 50 15.794 10.120 12.157 1.00 0.35 H new ATOM 0 HA THR A 50 13.423 10.758 10.670 1.00 0.32 H new ATOM 0 HB THR A 50 16.258 11.766 10.300 1.00 0.45 H new ATOM 0 HG1 THR A 50 15.546 13.485 11.735 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.140 13.777 9.401 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.737 12.322 8.459 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.560 12.987 9.615 1.00 0.47 H new ATOM 776 N CYS A 51 13.744 9.271 8.700 1.00 0.31 N ATOM 777 CA CYS A 51 13.894 8.489 7.492 1.00 0.40 C ATOM 778 C CYS A 51 13.182 9.146 6.319 1.00 0.34 C ATOM 779 O CYS A 51 12.148 9.800 6.483 1.00 0.35 O ATOM 780 CB CYS A 51 13.353 7.075 7.714 1.00 0.53 C ATOM 781 SG CYS A 51 14.023 6.248 9.179 1.00 0.71 S ATOM 0 H CYS A 51 12.781 9.376 9.020 1.00 0.31 H new ATOM 0 HA CYS A 51 14.956 8.434 7.252 1.00 0.40 H new ATOM 0 HB2 CYS A 51 12.268 7.123 7.801 1.00 0.53 H new ATOM 0 HB3 CYS A 51 13.576 6.470 6.835 1.00 0.53 H new ATOM 0 HG CYS A 51 13.784 4.972 9.105 1.00 0.71 H new ATOM 787 N LEU A 52 13.745 8.964 5.135 1.00 0.32 N ATOM 788 CA LEU A 52 13.169 9.518 3.926 1.00 0.30 C ATOM 789 C LEU A 52 12.215 8.503 3.319 1.00 0.28 C ATOM 790 O LEU A 52 12.607 7.371 3.036 1.00 0.35 O ATOM 791 CB LEU A 52 14.266 9.888 2.918 1.00 0.37 C ATOM 792 CG LEU A 52 13.768 10.378 1.555 1.00 0.40 C ATOM 793 CD1 LEU A 52 12.903 11.624 1.709 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.946 10.659 0.632 1.00 0.47 C ATOM 0 H LEU A 52 14.604 8.434 4.988 1.00 0.32 H new ATOM 0 HA LEU A 52 12.624 10.428 4.176 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.893 10.664 3.357 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.901 9.016 2.762 1.00 0.37 H new ATOM 0 HG LEU A 52 13.156 9.593 1.112 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.561 11.953 0.728 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.041 11.393 2.335 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.488 12.417 2.175 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.577 11.006 -0.333 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.581 11.426 1.075 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.524 9.746 0.492 1.00 0.47 H new ATOM 806 N LEU A 53 10.968 8.891 3.148 1.00 0.27 N ATOM 807 CA LEU A 53 9.973 7.994 2.593 1.00 0.29 C ATOM 808 C LEU A 53 9.846 8.162 1.090 1.00 0.25 C ATOM 809 O LEU A 53 9.426 9.213 0.603 1.00 0.30 O ATOM 810 CB LEU A 53 8.614 8.230 3.250 1.00 0.37 C ATOM 811 CG LEU A 53 8.399 7.543 4.603 1.00 0.39 C ATOM 812 CD1 LEU A 53 6.963 7.729 5.075 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.740 6.063 4.512 1.00 0.87 C ATOM 0 H LEU A 53 10.619 9.820 3.385 1.00 0.27 H new ATOM 0 HA LEU A 53 10.304 6.976 2.798 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.477 9.303 3.383 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.837 7.892 2.565 1.00 0.37 H new ATOM 0 HG LEU A 53 9.065 8.006 5.331 1.00 0.39 H new ATOM 0 HD11 LEU A 53 6.829 7.234 6.037 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.750 8.793 5.181 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.281 7.293 4.345 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.581 5.593 5.482 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.100 5.587 3.769 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.784 5.947 4.219 1.00 0.87 H new ATOM 825 N ASP A 54 10.236 7.124 0.370 1.00 0.23 N ATOM 826 CA ASP A 54 10.135 7.101 -1.079 1.00 0.24 C ATOM 827 C ASP A 54 8.898 6.291 -1.432 1.00 0.24 C ATOM 828 O ASP A 54 8.963 5.070 -1.596 1.00 0.28 O ATOM 829 CB ASP A 54 11.394 6.478 -1.701 1.00 0.26 C ATOM 830 CG ASP A 54 11.373 6.472 -3.219 1.00 0.39 C ATOM 831 OD1 ASP A 54 11.985 5.559 -3.820 1.00 0.96 O ATOM 832 OD2 ASP A 54 10.772 7.387 -3.819 1.00 1.03 O ATOM 0 H ASP A 54 10.631 6.274 0.773 1.00 0.23 H new ATOM 0 HA ASP A 54 10.052 8.113 -1.474 1.00 0.24 H new ATOM 0 HB2 ASP A 54 12.270 7.028 -1.359 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.500 5.454 -1.342 1.00 0.26 H new ATOM 837 N ILE A 55 7.764 6.970 -1.489 1.00 0.24 N ATOM 838 CA ILE A 55 6.495 6.318 -1.755 1.00 0.27 C ATOM 839 C ILE A 55 6.077 6.465 -3.206 1.00 0.26 C ATOM 840 O ILE A 55 6.025 7.568 -3.744 1.00 0.34 O ATOM 841 CB ILE A 55 5.391 6.896 -0.850 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.928 7.129 0.568 1.00 0.46 C ATOM 843 CG2 ILE A 55 4.193 5.965 -0.826 1.00 0.40 C ATOM 844 CD1 ILE A 55 5.054 8.033 1.410 1.00 0.68 C ATOM 0 H ILE A 55 7.698 7.979 -1.353 1.00 0.24 H new ATOM 0 HA ILE A 55 6.631 5.258 -1.542 1.00 0.27 H new ATOM 0 HB ILE A 55 5.073 7.857 -1.255 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.031 6.167 1.070 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.926 7.562 0.502 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.419 6.384 -0.183 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.802 5.850 -1.837 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.496 4.991 -0.441 1.00 0.40 H new ATOM 0 HD11 ILE A 55 5.498 8.151 2.398 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.971 9.009 0.931 1.00 0.68 H new ATOM 0 HD13 ILE A 55 4.062 7.592 1.508 1.00 0.68 H new ATOM 856 N LEU A 56 5.770 5.341 -3.827 1.00 0.30 N ATOM 857 CA LEU A 56 5.346 5.330 -5.215 1.00 0.32 C ATOM 858 C LEU A 56 3.854 5.026 -5.332 1.00 0.33 C ATOM 859 O LEU A 56 3.379 3.986 -4.865 1.00 0.39 O ATOM 860 CB LEU A 56 6.154 4.299 -6.009 1.00 0.37 C ATOM 861 CG LEU A 56 5.801 4.184 -7.496 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.197 5.446 -8.248 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.489 2.973 -8.102 1.00 0.46 C ATOM 0 H LEU A 56 5.807 4.420 -3.390 1.00 0.30 H new ATOM 0 HA LEU A 56 5.527 6.322 -5.630 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.212 4.548 -5.923 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.018 3.322 -5.545 1.00 0.37 H new ATOM 0 HG LEU A 56 4.722 4.061 -7.584 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.936 5.339 -9.301 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.668 6.301 -7.828 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.272 5.603 -8.155 1.00 0.45 H new ATOM 0 HD21 LEU A 56 6.232 2.900 -9.159 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.569 3.078 -7.997 1.00 0.46 H new ATOM 0 HD23 LEU A 56 6.160 2.071 -7.585 1.00 0.46 H new ATOM 875 N ASP A 57 3.115 5.947 -5.936 1.00 0.32 N ATOM 876 CA ASP A 57 1.686 5.770 -6.142 1.00 0.34 C ATOM 877 C ASP A 57 1.477 5.029 -7.455 1.00 0.36 C ATOM 878 O ASP A 57 1.467 5.638 -8.523 1.00 0.40 O ATOM 879 CB ASP A 57 0.976 7.135 -6.160 1.00 0.35 C ATOM 880 CG ASP A 57 -0.370 7.112 -6.866 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.193 6.211 -6.665 1.00 0.37 O ATOM 882 OD2 ASP A 57 -0.699 8.009 -7.647 1.00 0.44 O ATOM 0 H ASP A 57 3.485 6.828 -6.293 1.00 0.32 H new ATOM 0 HA ASP A 57 1.258 5.188 -5.325 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.833 7.474 -5.134 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.621 7.864 -6.650 1.00 0.35 H new ATOM 887 N THR A 58 1.339 3.712 -7.374 1.00 0.40 N ATOM 888 CA THR A 58 1.159 2.903 -8.566 1.00 0.44 C ATOM 889 C THR A 58 -0.163 3.201 -9.258 1.00 0.41 C ATOM 890 O THR A 58 -1.165 3.544 -8.617 1.00 0.49 O ATOM 891 CB THR A 58 1.251 1.393 -8.266 1.00 0.53 C ATOM 892 OG1 THR A 58 0.225 0.994 -7.345 1.00 0.61 O ATOM 893 CG2 THR A 58 2.612 1.040 -7.694 1.00 0.73 C ATOM 0 H THR A 58 1.348 3.186 -6.500 1.00 0.40 H new ATOM 0 HA THR A 58 1.976 3.173 -9.235 1.00 0.44 H new ATOM 0 HB THR A 58 1.112 0.859 -9.206 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.347 1.466 -6.495 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.655 -0.030 -7.490 1.00 0.73 H new ATOM 0 HG22 THR A 58 3.388 1.303 -8.413 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.772 1.593 -6.768 1.00 0.73 H new ATOM 901 N ALA A 59 -0.142 3.103 -10.573 1.00 0.41 N ATOM 902 CA ALA A 59 -1.322 3.328 -11.374 1.00 0.39 C ATOM 903 C ALA A 59 -2.051 2.010 -11.575 1.00 0.40 C ATOM 904 O ALA A 59 -3.211 1.859 -11.187 1.00 0.56 O ATOM 905 CB ALA A 59 -0.936 3.938 -12.709 1.00 0.43 C ATOM 0 H ALA A 59 0.691 2.866 -11.111 1.00 0.41 H new ATOM 0 HA ALA A 59 -1.986 4.025 -10.861 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.833 4.104 -13.306 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.430 4.889 -12.542 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.267 3.260 -13.239 1.00 0.43 H new ATOM 911 N GLY A 60 -1.348 1.044 -12.153 1.00 0.42 N ATOM 912 CA GLY A 60 -1.934 -0.255 -12.394 1.00 0.46 C ATOM 913 C GLY A 60 -1.167 -1.038 -13.436 1.00 0.47 C ATOM 914 O GLY A 60 -0.152 -1.670 -13.130 1.00 0.72 O ATOM 0 H GLY A 60 -0.380 1.140 -12.459 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -1.959 -0.820 -11.462 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -2.967 -0.132 -12.720 1.00 0.46 H new ATOM 918 N GLN A 61 -1.642 -0.986 -14.670 1.00 0.43 N ATOM 919 CA GLN A 61 -1.002 -1.689 -15.769 1.00 0.51 C ATOM 920 C GLN A 61 0.144 -0.862 -16.337 1.00 0.44 C ATOM 921 O GLN A 61 0.183 0.358 -16.168 1.00 0.63 O ATOM 922 CB GLN A 61 -2.017 -2.003 -16.869 1.00 0.71 C ATOM 923 CG GLN A 61 -3.056 -3.041 -16.466 1.00 0.80 C ATOM 924 CD GLN A 61 -2.441 -4.384 -16.112 1.00 1.04 C ATOM 925 OE1 GLN A 61 -1.368 -4.738 -16.603 1.00 1.23 O ATOM 926 NE2 GLN A 61 -3.118 -5.148 -15.267 1.00 1.26 N ATOM 0 H GLN A 61 -2.475 -0.460 -14.936 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.600 -2.627 -15.385 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.527 -1.083 -17.154 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.485 -2.358 -17.751 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -3.622 -2.669 -15.612 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.765 -3.175 -17.283 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -4.004 -4.821 -14.881 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -2.754 -6.063 -15.003 1.00 1.26 H new ATOM 935 N GLU A 62 1.068 -1.528 -17.012 1.00 0.51 N ATOM 936 CA GLU A 62 2.215 -0.853 -17.599 1.00 0.54 C ATOM 937 C GLU A 62 2.380 -1.261 -19.053 1.00 0.54 C ATOM 938 O GLU A 62 1.771 -2.230 -19.505 1.00 0.59 O ATOM 939 CB GLU A 62 3.492 -1.165 -16.807 1.00 0.70 C ATOM 940 CG GLU A 62 4.140 0.063 -16.178 1.00 0.81 C ATOM 941 CD GLU A 62 4.271 1.214 -17.152 1.00 0.96 C ATOM 942 OE1 GLU A 62 4.744 0.989 -18.287 1.00 1.57 O ATOM 943 OE2 GLU A 62 3.890 2.346 -16.797 1.00 1.43 O ATOM 0 H GLU A 62 1.046 -2.536 -17.167 1.00 0.51 H new ATOM 0 HA GLU A 62 2.040 0.222 -17.556 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.255 -1.882 -16.021 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.212 -1.645 -17.470 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.548 0.383 -15.321 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.127 -0.204 -15.802 1.00 0.81 H new ATOM 950 N GLU A 63 3.194 -0.514 -19.780 1.00 0.55 N ATOM 951 CA GLU A 63 3.447 -0.797 -21.183 1.00 0.59 C ATOM 952 C GLU A 63 4.444 -1.937 -21.294 1.00 0.47 C ATOM 953 O GLU A 63 4.363 -2.774 -22.194 1.00 0.50 O ATOM 954 CB GLU A 63 3.981 0.449 -21.888 1.00 0.70 C ATOM 955 CG GLU A 63 3.880 0.398 -23.403 1.00 0.96 C ATOM 956 CD GLU A 63 4.024 1.765 -24.036 1.00 1.10 C ATOM 957 OE1 GLU A 63 5.163 2.260 -24.138 1.00 1.32 O ATOM 958 OE2 GLU A 63 2.995 2.362 -24.424 1.00 1.38 O ATOM 0 H GLU A 63 3.694 0.298 -19.419 1.00 0.55 H new ATOM 0 HA GLU A 63 2.514 -1.088 -21.666 1.00 0.59 H new ATOM 0 HB2 GLU A 63 3.433 1.320 -21.528 1.00 0.70 H new ATOM 0 HB3 GLU A 63 5.025 0.591 -21.609 1.00 0.70 H new ATOM 0 HG2 GLU A 63 4.653 -0.264 -23.794 1.00 0.96 H new ATOM 0 HG3 GLU A 63 2.919 -0.031 -23.686 1.00 0.96 H new ATOM 965 N TYR A 64 5.384 -1.967 -20.363 1.00 0.40 N ATOM 966 CA TYR A 64 6.394 -3.004 -20.324 1.00 0.34 C ATOM 967 C TYR A 64 6.297 -3.758 -19.008 1.00 0.30 C ATOM 968 O TYR A 64 6.368 -3.156 -17.938 1.00 0.30 O ATOM 969 CB TYR A 64 7.791 -2.403 -20.494 1.00 0.36 C ATOM 970 CG TYR A 64 8.018 -1.760 -21.844 1.00 0.44 C ATOM 971 CD1 TYR A 64 8.401 -2.521 -22.940 1.00 0.59 C ATOM 972 CD2 TYR A 64 7.851 -0.390 -22.021 1.00 0.66 C ATOM 973 CE1 TYR A 64 8.612 -1.938 -24.176 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.058 0.200 -23.252 1.00 0.76 C ATOM 975 CZ TYR A 64 8.438 -0.578 -24.327 1.00 0.67 C ATOM 976 OH TYR A 64 8.646 0.009 -25.556 1.00 0.81 O ATOM 0 H TYR A 64 5.466 -1.275 -19.618 1.00 0.40 H new ATOM 0 HA TYR A 64 6.222 -3.697 -21.147 1.00 0.34 H new ATOM 0 HB2 TYR A 64 7.953 -1.658 -19.715 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.534 -3.186 -20.345 1.00 0.36 H new ATOM 0 HD1 TYR A 64 8.536 -3.586 -22.825 1.00 0.59 H new ATOM 0 HD2 TYR A 64 7.555 0.222 -21.182 1.00 0.66 H new ATOM 0 HE1 TYR A 64 8.911 -2.544 -25.018 1.00 0.68 H new ATOM 0 HE2 TYR A 64 7.923 1.265 -23.373 1.00 0.76 H new ATOM 0 HH TYR A 64 8.480 0.973 -25.491 1.00 0.81 H new ATOM 986 N SER A 65 6.133 -5.069 -19.091 1.00 0.32 N ATOM 987 CA SER A 65 6.011 -5.912 -17.909 1.00 0.34 C ATOM 988 C SER A 65 7.237 -5.786 -17.006 1.00 0.30 C ATOM 989 O SER A 65 7.123 -5.812 -15.778 1.00 0.35 O ATOM 990 CB SER A 65 5.808 -7.359 -18.344 1.00 0.40 C ATOM 991 OG SER A 65 5.007 -7.411 -19.512 1.00 0.63 O ATOM 0 H SER A 65 6.081 -5.578 -19.974 1.00 0.32 H new ATOM 0 HA SER A 65 5.149 -5.582 -17.330 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.773 -7.828 -18.535 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.332 -7.924 -17.542 1.00 0.40 H new ATOM 0 HG SER A 65 4.885 -8.345 -19.783 1.00 0.63 H new ATOM 997 N ALA A 66 8.398 -5.612 -17.626 1.00 0.26 N ATOM 998 CA ALA A 66 9.651 -5.467 -16.898 1.00 0.26 C ATOM 999 C ALA A 66 9.657 -4.201 -16.047 1.00 0.26 C ATOM 1000 O ALA A 66 10.325 -4.142 -15.017 1.00 0.32 O ATOM 1001 CB ALA A 66 10.820 -5.459 -17.872 1.00 0.26 C ATOM 0 H ALA A 66 8.497 -5.568 -18.640 1.00 0.26 H new ATOM 0 HA ALA A 66 9.753 -6.318 -16.225 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.753 -5.350 -17.319 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.835 -6.395 -18.430 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.710 -4.626 -18.566 1.00 0.26 H new ATOM 1007 N MET A 67 8.898 -3.195 -16.471 1.00 0.25 N ATOM 1008 CA MET A 67 8.821 -1.934 -15.737 1.00 0.30 C ATOM 1009 C MET A 67 8.017 -2.112 -14.455 1.00 0.30 C ATOM 1010 O MET A 67 8.302 -1.483 -13.438 1.00 0.34 O ATOM 1011 CB MET A 67 8.197 -0.841 -16.607 1.00 0.36 C ATOM 1012 CG MET A 67 9.164 -0.254 -17.624 1.00 0.50 C ATOM 1013 SD MET A 67 8.382 0.951 -18.717 1.00 0.63 S ATOM 1014 CE MET A 67 7.793 2.159 -17.528 1.00 0.69 C ATOM 0 H MET A 67 8.329 -3.227 -17.317 1.00 0.25 H new ATOM 0 HA MET A 67 9.834 -1.629 -15.474 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.335 -1.252 -17.132 1.00 0.36 H new ATOM 0 HB3 MET A 67 7.828 -0.042 -15.964 1.00 0.36 H new ATOM 0 HG2 MET A 67 9.992 0.222 -17.099 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.588 -1.060 -18.223 1.00 0.50 H new ATOM 0 HE1 MET A 67 7.446 3.048 -18.054 1.00 0.69 H new ATOM 0 HE2 MET A 67 6.970 1.733 -16.954 1.00 0.69 H new ATOM 0 HE3 MET A 67 8.604 2.431 -16.853 1.00 0.69 H new ATOM 1024 N ARG A 68 7.030 -2.998 -14.508 1.00 0.31 N ATOM 1025 CA ARG A 68 6.185 -3.276 -13.352 1.00 0.36 C ATOM 1026 C ARG A 68 6.976 -4.044 -12.298 1.00 0.37 C ATOM 1027 O ARG A 68 6.957 -3.706 -11.116 1.00 0.41 O ATOM 1028 CB ARG A 68 4.961 -4.093 -13.784 1.00 0.43 C ATOM 1029 CG ARG A 68 4.194 -4.728 -12.628 1.00 0.55 C ATOM 1030 CD ARG A 68 3.496 -6.012 -13.061 1.00 0.62 C ATOM 1031 NE ARG A 68 4.443 -6.976 -13.617 1.00 0.64 N ATOM 1032 CZ ARG A 68 4.218 -7.713 -14.703 1.00 0.76 C ATOM 1033 NH1 ARG A 68 3.066 -7.613 -15.361 1.00 0.90 N ATOM 1034 NH2 ARG A 68 5.164 -8.536 -15.141 1.00 0.86 N ATOM 0 H ARG A 68 6.794 -3.538 -15.341 1.00 0.31 H new ATOM 0 HA ARG A 68 5.850 -2.331 -12.924 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.285 -3.446 -14.342 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.285 -4.879 -14.466 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.880 -4.944 -11.809 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.456 -4.022 -12.248 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.984 -6.455 -12.207 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.733 -5.780 -13.804 1.00 0.62 H new ATOM 0 HE ARG A 68 5.337 -7.092 -13.141 1.00 0.64 H new ATOM 0 HH11 ARG A 68 2.347 -6.968 -15.035 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.902 -8.181 -16.192 1.00 0.90 H new ATOM 0 HH21 ARG A 68 6.054 -8.600 -14.646 1.00 0.86 H new ATOM 0 HH22 ARG A 68 5.001 -9.104 -15.972 1.00 0.86 H new ATOM 1048 N ASP A 69 7.698 -5.062 -12.750 1.00 0.37 N ATOM 1049 CA ASP A 69 8.493 -5.906 -11.859 1.00 0.42 C ATOM 1050 C ASP A 69 9.743 -5.180 -11.371 1.00 0.36 C ATOM 1051 O ASP A 69 10.440 -5.665 -10.479 1.00 0.42 O ATOM 1052 CB ASP A 69 8.901 -7.205 -12.564 1.00 0.58 C ATOM 1053 CG ASP A 69 7.720 -7.974 -13.123 1.00 0.78 C ATOM 1054 OD1 ASP A 69 6.646 -7.978 -12.491 1.00 0.94 O ATOM 1055 OD2 ASP A 69 7.862 -8.583 -14.204 1.00 1.41 O ATOM 0 H ASP A 69 7.751 -5.326 -13.734 1.00 0.37 H new ATOM 0 HA ASP A 69 7.870 -6.143 -10.997 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.591 -6.970 -13.375 1.00 0.58 H new ATOM 0 HB3 ASP A 69 9.440 -7.839 -11.860 1.00 0.58 H new ATOM 1060 N GLN A 70 10.022 -4.016 -11.945 1.00 0.32 N ATOM 1061 CA GLN A 70 11.194 -3.246 -11.562 1.00 0.31 C ATOM 1062 C GLN A 70 11.064 -2.724 -10.135 1.00 0.26 C ATOM 1063 O GLN A 70 11.865 -3.072 -9.268 1.00 0.33 O ATOM 1064 CB GLN A 70 11.416 -2.082 -12.527 1.00 0.34 C ATOM 1065 CG GLN A 70 12.835 -1.537 -12.487 1.00 0.43 C ATOM 1066 CD GLN A 70 12.942 -0.136 -13.047 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.112 0.053 -14.251 1.00 1.51 O ATOM 1068 NE2 GLN A 70 12.849 0.855 -12.175 1.00 1.30 N ATOM 0 H GLN A 70 9.453 -3.587 -12.675 1.00 0.32 H new ATOM 0 HA GLN A 70 12.057 -3.910 -11.609 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.187 -2.410 -13.541 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.718 -1.280 -12.286 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.191 -1.540 -11.457 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.490 -2.200 -13.052 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.708 0.652 -11.185 1.00 1.30 H new ATOM 0 HE22 GLN A 70 12.918 1.822 -12.492 1.00 1.30 H new ATOM 1077 N TYR A 71 10.038 -1.917 -9.881 1.00 0.23 N ATOM 1078 CA TYR A 71 9.843 -1.358 -8.549 1.00 0.27 C ATOM 1079 C TYR A 71 9.360 -2.424 -7.572 1.00 0.24 C ATOM 1080 O TYR A 71 9.428 -2.232 -6.362 1.00 0.29 O ATOM 1081 CB TYR A 71 8.889 -0.150 -8.557 1.00 0.37 C ATOM 1082 CG TYR A 71 7.592 -0.328 -9.328 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.588 -1.178 -8.874 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.360 0.392 -10.495 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.392 -1.302 -9.561 1.00 0.77 C ATOM 1086 CE2 TYR A 71 6.171 0.267 -11.190 1.00 0.86 C ATOM 1087 CZ TYR A 71 5.190 -0.580 -10.718 1.00 0.90 C ATOM 1088 OH TYR A 71 3.997 -0.694 -11.399 1.00 1.17 O ATOM 0 H TYR A 71 9.339 -1.639 -10.569 1.00 0.23 H new ATOM 0 HA TYR A 71 10.815 -0.997 -8.212 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.643 0.100 -7.525 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.421 0.705 -8.974 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.744 -1.750 -7.971 1.00 0.53 H new ATOM 0 HD2 TYR A 71 8.123 1.061 -10.865 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.621 -1.962 -9.192 1.00 0.77 H new ATOM 0 HE2 TYR A 71 6.011 0.830 -12.098 1.00 0.86 H new ATOM 0 HH TYR A 71 4.017 -0.118 -12.192 1.00 1.17 H new ATOM 1098 N MET A 72 8.886 -3.550 -8.101 1.00 0.24 N ATOM 1099 CA MET A 72 8.419 -4.648 -7.264 1.00 0.28 C ATOM 1100 C MET A 72 9.603 -5.310 -6.566 1.00 0.31 C ATOM 1101 O MET A 72 9.463 -5.905 -5.498 1.00 0.44 O ATOM 1102 CB MET A 72 7.667 -5.678 -8.104 1.00 0.36 C ATOM 1103 CG MET A 72 6.191 -5.372 -8.272 1.00 0.39 C ATOM 1104 SD MET A 72 5.323 -6.617 -9.250 1.00 0.51 S ATOM 1105 CE MET A 72 3.636 -6.025 -9.123 1.00 0.70 C ATOM 0 H MET A 72 8.816 -3.724 -9.104 1.00 0.24 H new ATOM 0 HA MET A 72 7.738 -4.248 -6.513 1.00 0.28 H new ATOM 0 HB2 MET A 72 8.130 -5.738 -9.089 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.775 -6.659 -7.641 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.726 -5.300 -7.289 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.079 -4.399 -8.750 1.00 0.39 H new ATOM 0 HE1 MET A 72 2.996 -6.827 -8.755 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.597 -5.183 -8.432 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.288 -5.705 -10.105 1.00 0.70 H new ATOM 1115 N ARG A 73 10.773 -5.195 -7.179 1.00 0.25 N ATOM 1116 CA ARG A 73 11.986 -5.772 -6.621 1.00 0.30 C ATOM 1117 C ARG A 73 12.608 -4.831 -5.600 1.00 0.27 C ATOM 1118 O ARG A 73 12.932 -5.236 -4.483 1.00 0.34 O ATOM 1119 CB ARG A 73 12.995 -6.071 -7.733 1.00 0.37 C ATOM 1120 CG ARG A 73 12.634 -7.288 -8.566 1.00 0.45 C ATOM 1121 CD ARG A 73 13.697 -7.585 -9.610 1.00 0.50 C ATOM 1122 NE ARG A 73 13.703 -6.591 -10.686 1.00 0.80 N ATOM 1123 CZ ARG A 73 14.780 -5.893 -11.054 1.00 0.81 C ATOM 1124 NH1 ARG A 73 15.939 -6.076 -10.441 1.00 1.19 N ATOM 1125 NH2 ARG A 73 14.705 -5.020 -12.054 1.00 1.29 N ATOM 0 H ARG A 73 10.907 -4.706 -8.064 1.00 0.25 H new ATOM 0 HA ARG A 73 11.720 -6.704 -6.122 1.00 0.30 H new ATOM 0 HB2 ARG A 73 13.071 -5.202 -8.387 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.979 -6.223 -7.289 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.512 -8.153 -7.914 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.676 -7.122 -9.058 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.677 -7.609 -9.133 1.00 0.50 H new ATOM 0 HD3 ARG A 73 13.524 -8.575 -10.032 1.00 0.50 H new ATOM 0 HE ARG A 73 12.830 -6.422 -11.185 1.00 0.80 H new ATOM 0 HH11 ARG A 73 16.013 -6.754 -9.682 1.00 1.19 H new ATOM 0 HH12 ARG A 73 16.758 -5.539 -10.727 1.00 1.19 H new ATOM 0 HH21 ARG A 73 13.821 -4.881 -12.544 1.00 1.29 H new ATOM 0 HH22 ARG A 73 15.531 -4.489 -12.331 1.00 1.29 H new ATOM 1139 N THR A 74 12.744 -3.569 -5.982 1.00 0.23 N ATOM 1140 CA THR A 74 13.338 -2.561 -5.122 1.00 0.23 C ATOM 1141 C THR A 74 12.442 -2.227 -3.930 1.00 0.20 C ATOM 1142 O THR A 74 12.923 -1.728 -2.907 1.00 0.24 O ATOM 1143 CB THR A 74 13.626 -1.277 -5.914 1.00 0.26 C ATOM 1144 OG1 THR A 74 13.539 -1.546 -7.319 1.00 0.64 O ATOM 1145 CG2 THR A 74 15.006 -0.738 -5.575 1.00 0.72 C ATOM 0 H THR A 74 12.447 -3.218 -6.893 1.00 0.23 H new ATOM 0 HA THR A 74 14.271 -2.977 -4.743 1.00 0.23 H new ATOM 0 HB THR A 74 12.885 -0.525 -5.643 1.00 0.26 H new ATOM 0 HG1 THR A 74 13.722 -0.725 -7.821 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.192 0.172 -6.146 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.058 -0.515 -4.509 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.760 -1.484 -5.826 1.00 0.72 H new ATOM 1153 N GLY A 75 11.145 -2.492 -4.066 1.00 0.17 N ATOM 1154 CA GLY A 75 10.210 -2.219 -2.992 1.00 0.16 C ATOM 1155 C GLY A 75 10.478 -3.078 -1.770 1.00 0.14 C ATOM 1156 O GLY A 75 10.502 -4.308 -1.858 1.00 0.19 O ATOM 0 H GLY A 75 10.725 -2.892 -4.905 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.273 -1.166 -2.716 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.193 -2.396 -3.343 1.00 0.16 H new ATOM 1160 N GLU A 76 10.689 -2.434 -0.637 1.00 0.16 N ATOM 1161 CA GLU A 76 10.959 -3.145 0.604 1.00 0.20 C ATOM 1162 C GLU A 76 9.652 -3.461 1.316 1.00 0.23 C ATOM 1163 O GLU A 76 9.476 -4.554 1.859 1.00 0.34 O ATOM 1164 CB GLU A 76 11.869 -2.308 1.501 1.00 0.26 C ATOM 1165 CG GLU A 76 13.139 -1.860 0.811 1.00 0.30 C ATOM 1166 CD GLU A 76 14.043 -1.069 1.721 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.767 0.131 1.953 1.00 0.43 O ATOM 1168 OE2 GLU A 76 15.041 -1.642 2.210 1.00 0.54 O ATOM 0 H GLU A 76 10.679 -1.418 -0.548 1.00 0.16 H new ATOM 0 HA GLU A 76 11.466 -4.082 0.375 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.321 -1.431 1.845 1.00 0.26 H new ATOM 0 HB3 GLU A 76 12.130 -2.889 2.386 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.676 -2.734 0.442 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.882 -1.253 -0.057 1.00 0.30 H new ATOM 1175 N GLY A 77 8.743 -2.501 1.300 1.00 0.21 N ATOM 1176 CA GLY A 77 7.452 -2.679 1.923 1.00 0.23 C ATOM 1177 C GLY A 77 6.331 -2.325 0.978 1.00 0.17 C ATOM 1178 O GLY A 77 6.345 -1.257 0.358 1.00 0.26 O ATOM 0 H GLY A 77 8.880 -1.591 0.861 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.343 -3.714 2.248 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.388 -2.056 2.815 1.00 0.23 H new ATOM 1182 N PHE A 78 5.360 -3.211 0.855 1.00 0.11 N ATOM 1183 CA PHE A 78 4.240 -2.981 -0.041 1.00 0.17 C ATOM 1184 C PHE A 78 2.940 -2.823 0.735 1.00 0.17 C ATOM 1185 O PHE A 78 2.645 -3.601 1.647 1.00 0.20 O ATOM 1186 CB PHE A 78 4.120 -4.126 -1.050 1.00 0.24 C ATOM 1187 CG PHE A 78 5.300 -4.241 -1.966 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.388 -5.022 -1.619 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.325 -3.562 -3.172 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.480 -5.121 -2.456 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.414 -3.658 -4.015 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.494 -4.437 -3.656 1.00 0.40 C ATOM 0 H PHE A 78 5.323 -4.095 1.363 1.00 0.11 H new ATOM 0 HA PHE A 78 4.427 -2.053 -0.582 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.997 -5.065 -0.510 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.219 -3.981 -1.647 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.382 -5.560 -0.683 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.482 -2.950 -3.457 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.324 -5.733 -2.173 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.420 -3.124 -4.954 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.349 -4.512 -4.312 1.00 0.40 H new ATOM 1202 N LEU A 79 2.170 -1.808 0.372 1.00 0.19 N ATOM 1203 CA LEU A 79 0.896 -1.535 1.022 1.00 0.20 C ATOM 1204 C LEU A 79 -0.253 -2.068 0.174 1.00 0.21 C ATOM 1205 O LEU A 79 -0.576 -1.502 -0.873 1.00 0.24 O ATOM 1206 CB LEU A 79 0.735 -0.030 1.245 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.272 0.366 2.326 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.209 -0.070 3.701 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.509 1.866 2.297 1.00 0.27 C ATOM 0 H LEU A 79 2.407 -1.155 -0.375 1.00 0.19 H new ATOM 0 HA LEU A 79 0.878 -2.039 1.989 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.707 0.388 1.506 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.433 0.430 0.304 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.214 -0.143 2.121 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.524 0.223 4.453 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.332 -1.153 3.717 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.164 0.407 3.920 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.228 2.136 3.071 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.431 2.387 2.478 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -0.901 2.154 1.322 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.850 -3.164 0.616 1.00 0.21 N ATOM 1222 CA CYS A 80 -1.954 -3.776 -0.105 1.00 0.25 C ATOM 1223 C CYS A 80 -3.283 -3.241 0.409 1.00 0.24 C ATOM 1224 O CYS A 80 -3.804 -3.705 1.426 1.00 0.28 O ATOM 1225 CB CYS A 80 -1.902 -5.301 0.028 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.388 -6.041 -0.623 1.00 0.61 S ATOM 0 H CYS A 80 -0.587 -3.649 1.474 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.863 -3.520 -1.161 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.002 -5.568 1.080 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.758 -5.731 -0.493 1.00 0.31 H new ATOM 0 HG CYS A 80 0.165 -6.777 0.295 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.824 -2.259 -0.294 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.079 -1.648 0.104 1.00 0.33 C ATOM 1234 C VAL A 81 -6.201 -2.003 -0.864 1.00 0.30 C ATOM 1235 O VAL A 81 -6.030 -1.947 -2.085 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.957 -0.112 0.187 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.136 0.480 0.941 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.639 0.294 0.834 1.00 0.42 C ATOM 0 H VAL A 81 -3.413 -1.869 -1.142 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.318 -2.042 1.092 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.969 0.285 -0.828 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -6.031 1.564 0.988 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -7.062 0.228 0.424 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.162 0.074 1.952 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.577 1.381 0.881 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.587 -0.117 1.842 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.809 -0.092 0.242 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.343 -2.377 -0.308 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.509 -2.727 -1.101 1.00 0.26 C ATOM 1250 C PHE A 82 -9.721 -1.961 -0.586 1.00 0.25 C ATOM 1251 O PHE A 82 -9.640 -1.292 0.442 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.765 -4.242 -1.050 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.250 -4.745 0.284 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.354 -5.160 1.253 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.608 -4.801 0.563 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.800 -5.621 2.476 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -11.058 -5.261 1.783 1.00 0.30 C ATOM 1258 CZ PHE A 82 -10.153 -5.672 2.740 1.00 0.30 C ATOM 0 H PHE A 82 -7.486 -2.446 0.700 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.328 -2.453 -2.140 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.501 -4.500 -1.812 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.843 -4.763 -1.308 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.294 -5.123 1.051 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.320 -4.481 -0.183 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -8.091 -5.941 3.225 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -12.117 -5.299 1.989 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.504 -6.033 3.695 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.832 -2.058 -1.301 1.00 0.28 N ATOM 1269 CA ALA A 83 -12.059 -1.381 -0.902 1.00 0.27 C ATOM 1270 C ALA A 83 -13.066 -2.402 -0.389 1.00 0.28 C ATOM 1271 O ALA A 83 -13.285 -3.435 -1.024 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.632 -0.585 -2.063 1.00 0.32 C ATOM 0 H ALA A 83 -10.910 -2.600 -2.162 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.834 -0.680 -0.098 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.548 -0.087 -1.746 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.906 0.161 -2.386 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.854 -1.258 -2.891 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.685 -2.114 0.749 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.642 -3.040 1.356 1.00 0.31 C ATOM 1280 C ILE A 84 -16.003 -3.028 0.657 1.00 0.31 C ATOM 1281 O ILE A 84 -16.891 -3.819 0.999 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.835 -2.739 2.859 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.355 -1.308 3.066 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.526 -2.944 3.604 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -15.942 -1.060 4.438 1.00 0.78 C ATOM 0 H ILE A 84 -13.544 -1.250 1.272 1.00 0.28 H new ATOM 0 HA ILE A 84 -14.213 -4.035 1.235 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.578 -3.429 3.258 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.537 -0.607 2.900 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -16.114 -1.096 2.313 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.672 -2.729 4.663 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.198 -3.977 3.485 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.768 -2.273 3.199 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.286 -0.028 4.505 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -16.782 -1.735 4.602 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -15.181 -1.239 5.197 1.00 0.78 H new ATOM 1297 N ASN A 85 -16.164 -2.146 -0.321 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.419 -2.050 -1.059 1.00 0.38 C ATOM 1299 C ASN A 85 -17.455 -3.047 -2.214 1.00 0.36 C ATOM 1300 O ASN A 85 -18.508 -3.279 -2.805 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.646 -0.632 -1.604 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.770 -0.307 -2.805 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.577 -0.603 -2.825 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -17.366 0.292 -3.827 1.00 0.82 N ATOM 0 H ASN A 85 -15.445 -1.488 -0.622 1.00 0.33 H new ATOM 0 HA ASN A 85 -18.218 -2.287 -0.356 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.693 -0.520 -1.885 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.450 0.091 -0.812 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -16.832 0.522 -4.665 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -18.358 0.523 -3.775 1.00 0.82 H new ATOM 1311 N ASN A 86 -16.310 -3.641 -2.529 1.00 0.34 N ATOM 1312 CA ASN A 86 -16.232 -4.600 -3.622 1.00 0.39 C ATOM 1313 C ASN A 86 -15.335 -5.771 -3.248 1.00 0.33 C ATOM 1314 O ASN A 86 -14.167 -5.587 -2.900 1.00 0.33 O ATOM 1315 CB ASN A 86 -15.712 -3.916 -4.890 1.00 0.53 C ATOM 1316 CG ASN A 86 -16.002 -4.710 -6.151 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -16.018 -5.943 -6.141 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -16.235 -4.006 -7.250 1.00 0.98 N ATOM 0 H ASN A 86 -15.427 -3.476 -2.045 1.00 0.34 H new ATOM 0 HA ASN A 86 -17.234 -4.984 -3.815 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -16.166 -2.929 -4.976 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -14.636 -3.766 -4.801 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -16.437 -4.484 -8.128 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -16.213 -2.987 -7.217 1.00 0.98 H new ATOM 1325 N THR A 87 -15.884 -6.977 -3.334 1.00 0.33 N ATOM 1326 CA THR A 87 -15.153 -8.194 -3.001 1.00 0.32 C ATOM 1327 C THR A 87 -14.058 -8.496 -4.031 1.00 0.30 C ATOM 1328 O THR A 87 -13.036 -9.094 -3.698 1.00 0.30 O ATOM 1329 CB THR A 87 -16.122 -9.393 -2.880 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.108 -9.112 -1.876 1.00 0.65 O ATOM 1331 CG2 THR A 87 -15.388 -10.675 -2.515 1.00 0.57 C ATOM 0 H THR A 87 -16.845 -7.139 -3.635 1.00 0.33 H new ATOM 0 HA THR A 87 -14.668 -8.033 -2.038 1.00 0.32 H new ATOM 0 HB THR A 87 -16.597 -9.538 -3.850 1.00 0.38 H new ATOM 0 HG1 THR A 87 -17.723 -9.871 -1.800 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.103 -11.494 -2.439 1.00 0.57 H new ATOM 0 HG22 THR A 87 -14.652 -10.905 -3.286 1.00 0.57 H new ATOM 0 HG23 THR A 87 -14.882 -10.545 -1.558 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.257 -8.060 -5.275 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.273 -8.303 -6.327 1.00 0.35 C ATOM 1341 C LYS A 88 -11.937 -7.654 -5.977 1.00 0.30 C ATOM 1342 O LYS A 88 -10.876 -8.232 -6.219 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.782 -7.792 -7.681 1.00 0.42 C ATOM 1344 CG LYS A 88 -12.816 -8.031 -8.838 1.00 0.49 C ATOM 1345 CD LYS A 88 -12.436 -9.502 -8.968 1.00 0.71 C ATOM 1346 CE LYS A 88 -11.529 -9.743 -10.168 1.00 0.89 C ATOM 1347 NZ LYS A 88 -12.245 -9.530 -11.455 1.00 0.82 N ATOM 0 H LYS A 88 -15.082 -7.542 -5.576 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.122 -9.380 -6.405 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.731 -8.278 -7.907 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.982 -6.723 -7.603 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.272 -7.690 -9.768 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.915 -7.435 -8.688 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -11.932 -9.830 -8.059 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -13.339 -10.104 -9.067 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -10.671 -9.073 -10.115 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -11.142 -10.761 -10.132 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -11.652 -9.864 -12.241 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -13.140 -10.060 -11.446 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -12.444 -8.517 -11.578 1.00 0.82 H new ATOM 1361 N SER A 89 -11.996 -6.457 -5.400 1.00 0.27 N ATOM 1362 CA SER A 89 -10.796 -5.733 -4.997 1.00 0.27 C ATOM 1363 C SER A 89 -10.064 -6.493 -3.892 1.00 0.25 C ATOM 1364 O SER A 89 -8.839 -6.465 -3.806 1.00 0.32 O ATOM 1365 CB SER A 89 -11.180 -4.330 -4.511 1.00 0.33 C ATOM 1366 OG SER A 89 -12.569 -4.100 -4.674 1.00 0.64 O ATOM 0 H SER A 89 -12.868 -5.966 -5.201 1.00 0.27 H new ATOM 0 HA SER A 89 -10.129 -5.644 -5.854 1.00 0.27 H new ATOM 0 HB2 SER A 89 -10.910 -4.218 -3.461 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.616 -3.581 -5.067 1.00 0.33 H new ATOM 0 HG SER A 89 -13.060 -4.531 -3.943 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.834 -7.184 -3.059 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.282 -7.959 -1.958 1.00 0.25 C ATOM 1374 C PHE A 90 -9.686 -9.263 -2.481 1.00 0.27 C ATOM 1375 O PHE A 90 -8.666 -9.745 -1.984 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.375 -8.237 -0.918 1.00 0.29 C ATOM 1377 CG PHE A 90 -10.995 -9.247 0.129 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -9.919 -9.025 0.974 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.723 -10.419 0.272 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.576 -9.949 1.939 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.382 -11.348 1.235 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.308 -11.112 2.071 1.00 0.39 C ATOM 0 H PHE A 90 -11.851 -7.222 -3.128 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.486 -7.388 -1.480 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.636 -7.301 -0.424 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.270 -8.586 -1.434 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.342 -8.117 0.876 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.566 -10.607 -0.377 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -8.735 -9.763 2.591 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -11.955 -12.258 1.334 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.041 -11.836 2.827 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.327 -9.821 -3.492 1.00 0.32 N ATOM 1393 CA GLU A 91 -9.868 -11.059 -4.100 1.00 0.40 C ATOM 1394 C GLU A 91 -8.603 -10.819 -4.914 1.00 0.39 C ATOM 1395 O GLU A 91 -7.754 -11.703 -5.035 1.00 0.49 O ATOM 1396 CB GLU A 91 -10.962 -11.645 -4.989 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.004 -12.438 -4.221 1.00 0.59 C ATOM 1398 CD GLU A 91 -11.473 -13.770 -3.732 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -11.347 -13.953 -2.504 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -11.177 -14.642 -4.578 1.00 1.09 O ATOM 0 H GLU A 91 -11.172 -9.434 -3.912 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.638 -11.770 -3.306 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.456 -10.835 -5.526 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.504 -12.291 -5.738 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.347 -11.852 -3.368 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -12.871 -12.608 -4.860 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.475 -9.609 -5.451 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.312 -9.229 -6.253 1.00 0.37 C ATOM 1409 C ASP A 92 -6.040 -9.292 -5.416 1.00 0.31 C ATOM 1410 O ASP A 92 -4.937 -9.467 -5.942 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.499 -7.814 -6.805 1.00 0.43 C ATOM 1412 CG ASP A 92 -7.158 -7.702 -8.282 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -7.215 -8.729 -8.995 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -6.860 -6.582 -8.745 1.00 0.99 O ATOM 0 H ASP A 92 -9.168 -8.868 -5.345 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.219 -9.931 -7.082 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.533 -7.504 -6.652 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.872 -7.124 -6.240 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.212 -9.170 -4.100 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.097 -9.209 -3.160 1.00 0.25 C ATOM 1421 C ILE A 93 -4.377 -10.553 -3.233 1.00 0.24 C ATOM 1422 O ILE A 93 -3.166 -10.631 -3.018 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.572 -8.946 -1.706 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.277 -7.585 -1.603 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.402 -9.004 -0.728 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.432 -6.418 -2.075 1.00 0.42 C ATOM 0 H ILE A 93 -7.123 -9.042 -3.660 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.404 -8.417 -3.443 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.281 -9.730 -1.441 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.195 -7.617 -2.190 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.567 -7.415 -0.566 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -4.763 -8.816 0.283 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -3.940 -9.990 -0.771 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.665 -8.247 -0.997 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.999 -5.493 -1.971 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.526 -6.358 -1.472 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.163 -6.563 -3.121 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.125 -11.606 -3.558 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.551 -12.941 -3.674 1.00 0.30 C ATOM 1440 C HIS A 94 -3.479 -12.948 -4.764 1.00 0.30 C ATOM 1441 O HIS A 94 -2.405 -13.531 -4.600 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.632 -13.979 -4.002 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.417 -14.451 -2.811 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -5.990 -15.465 -1.983 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.614 -14.043 -2.316 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -6.884 -15.658 -1.029 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -7.878 -14.811 -1.211 1.00 0.79 N ATOM 0 H HIS A 94 -6.127 -11.559 -3.745 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.102 -13.206 -2.717 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.321 -13.551 -4.730 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.161 -14.840 -4.476 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.241 -13.260 -2.717 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -6.813 -16.386 -0.235 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -8.709 -14.739 -0.624 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.776 -12.268 -5.863 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.861 -12.175 -6.990 1.00 0.30 C ATOM 1458 C HIS A 95 -1.673 -11.275 -6.647 1.00 0.26 C ATOM 1459 O HIS A 95 -0.544 -11.562 -7.029 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.606 -11.637 -8.220 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.720 -11.276 -9.382 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -1.956 -12.198 -10.064 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.481 -10.081 -9.974 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -1.292 -11.590 -11.028 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.593 -10.306 -10.995 1.00 0.72 N ATOM 0 H HIS A 95 -4.655 -11.768 -5.997 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.477 -13.170 -7.215 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.326 -12.386 -8.548 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -4.175 -10.755 -7.926 1.00 0.37 H new ATOM 0 HD2 HIS A 95 -2.909 -9.130 -9.694 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.617 -12.063 -11.726 1.00 0.79 H new ATOM 0 HE2 HIS A 95 -1.225 -9.595 -11.627 1.00 0.72 H new ATOM 1474 N TYR A 96 -1.937 -10.196 -5.917 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.888 -9.250 -5.535 1.00 0.29 C ATOM 1476 C TYR A 96 0.163 -9.887 -4.628 1.00 0.24 C ATOM 1477 O TYR A 96 1.363 -9.744 -4.868 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.503 -8.022 -4.861 1.00 0.38 C ATOM 1479 CG TYR A 96 -1.870 -6.936 -5.845 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -0.915 -6.037 -6.293 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.164 -6.818 -6.334 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -1.238 -5.048 -7.200 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.494 -5.831 -7.242 1.00 0.81 C ATOM 1484 CZ TYR A 96 -2.527 -4.950 -7.671 1.00 0.75 C ATOM 1485 OH TYR A 96 -2.852 -3.964 -8.576 1.00 0.91 O ATOM 0 H TYR A 96 -2.867 -9.953 -5.577 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.379 -8.942 -6.448 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.394 -8.324 -4.311 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.798 -7.622 -4.132 1.00 0.38 H new ATOM 0 HD1 TYR A 96 0.098 -6.112 -5.927 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -3.924 -7.508 -5.999 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -0.483 -4.354 -7.538 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.505 -5.751 -7.613 1.00 0.81 H new ATOM 0 HH TYR A 96 -3.393 -3.278 -8.132 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.286 -10.600 -3.605 1.00 0.25 N ATOM 1496 CA ARG A 97 0.629 -11.245 -2.673 1.00 0.25 C ATOM 1497 C ARG A 97 1.466 -12.309 -3.381 1.00 0.22 C ATOM 1498 O ARG A 97 2.633 -12.514 -3.048 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.151 -11.868 -1.512 1.00 0.32 C ATOM 1500 CG ARG A 97 0.721 -12.600 -0.501 1.00 0.36 C ATOM 1501 CD ARG A 97 1.454 -11.638 0.421 1.00 0.39 C ATOM 1502 NE ARG A 97 2.308 -12.344 1.378 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.342 -11.791 2.018 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.659 -10.516 1.802 1.00 0.48 N ATOM 1505 NH2 ARG A 97 4.062 -12.518 2.867 1.00 0.60 N ATOM 0 H ARG A 97 -1.274 -10.746 -3.399 1.00 0.25 H new ATOM 0 HA ARG A 97 1.305 -10.487 -2.277 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.705 -11.083 -0.997 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.886 -12.565 -1.914 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.101 -13.271 0.094 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.446 -13.220 -1.029 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.062 -10.957 -0.174 1.00 0.39 H new ATOM 0 HD3 ARG A 97 0.729 -11.029 0.961 1.00 0.39 H new ATOM 0 HE ARG A 97 2.099 -13.324 1.569 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.112 -9.958 1.146 1.00 0.48 H new ATOM 0 HH12 ARG A 97 4.449 -10.097 2.292 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.825 -13.497 3.029 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.852 -12.097 3.356 1.00 0.60 H new ATOM 1519 N GLU A 98 0.872 -12.960 -4.372 1.00 0.22 N ATOM 1520 CA GLU A 98 1.556 -14.005 -5.123 1.00 0.24 C ATOM 1521 C GLU A 98 2.503 -13.416 -6.170 1.00 0.23 C ATOM 1522 O GLU A 98 3.640 -13.871 -6.317 1.00 0.26 O ATOM 1523 CB GLU A 98 0.524 -14.904 -5.801 1.00 0.30 C ATOM 1524 CG GLU A 98 1.117 -16.136 -6.462 1.00 0.46 C ATOM 1525 CD GLU A 98 0.090 -16.903 -7.270 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -0.085 -16.593 -8.468 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.558 -17.810 -6.703 1.00 1.35 O ATOM 0 H GLU A 98 -0.085 -12.782 -4.676 1.00 0.22 H new ATOM 0 HA GLU A 98 2.155 -14.590 -4.425 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.210 -15.220 -5.060 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.011 -14.323 -6.552 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.939 -15.837 -7.113 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.537 -16.790 -5.698 1.00 0.46 H new ATOM 1534 N GLN A 99 2.034 -12.398 -6.885 1.00 0.23 N ATOM 1535 CA GLN A 99 2.824 -11.754 -7.929 1.00 0.25 C ATOM 1536 C GLN A 99 4.132 -11.189 -7.391 1.00 0.24 C ATOM 1537 O GLN A 99 5.214 -11.557 -7.855 1.00 0.26 O ATOM 1538 CB GLN A 99 2.020 -10.639 -8.603 1.00 0.30 C ATOM 1539 CG GLN A 99 2.806 -9.872 -9.656 1.00 0.33 C ATOM 1540 CD GLN A 99 1.918 -9.302 -10.744 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.432 -8.177 -10.643 1.00 1.15 O ATOM 1542 NE2 GLN A 99 1.696 -10.079 -11.790 1.00 1.08 N ATOM 0 H GLN A 99 1.104 -11.999 -6.759 1.00 0.23 H new ATOM 0 HA GLN A 99 3.067 -12.522 -8.663 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.133 -11.071 -9.067 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.673 -9.941 -7.841 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.353 -9.061 -9.176 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.546 -10.534 -10.106 1.00 0.33 H new ATOM 0 HE21 GLN A 99 2.118 -11.006 -11.835 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.102 -9.751 -12.552 1.00 1.08 H new ATOM 1551 N ILE A 100 4.032 -10.316 -6.400 1.00 0.24 N ATOM 1552 CA ILE A 100 5.214 -9.696 -5.814 1.00 0.26 C ATOM 1553 C ILE A 100 6.107 -10.748 -5.152 1.00 0.24 C ATOM 1554 O ILE A 100 7.334 -10.621 -5.143 1.00 0.24 O ATOM 1555 CB ILE A 100 4.826 -8.591 -4.808 1.00 0.32 C ATOM 1556 CG1 ILE A 100 4.037 -7.493 -5.531 1.00 0.39 C ATOM 1557 CG2 ILE A 100 6.064 -8.006 -4.129 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.540 -6.384 -4.629 1.00 0.51 C ATOM 0 H ILE A 100 3.148 -10.021 -5.985 1.00 0.24 H new ATOM 0 HA ILE A 100 5.779 -9.227 -6.620 1.00 0.26 H new ATOM 0 HB ILE A 100 4.200 -9.030 -4.031 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.669 -7.059 -6.306 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.183 -7.947 -6.033 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.761 -7.230 -3.426 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.592 -8.795 -3.593 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.723 -7.575 -4.883 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.993 -5.651 -5.222 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.880 -6.802 -3.869 1.00 0.51 H new ATOM 0 HD13 ILE A 100 4.389 -5.900 -4.146 1.00 0.51 H new ATOM 1570 N LYS A 101 5.482 -11.806 -4.640 1.00 0.25 N ATOM 1571 CA LYS A 101 6.209 -12.897 -3.999 1.00 0.27 C ATOM 1572 C LYS A 101 7.128 -13.584 -5.009 1.00 0.23 C ATOM 1573 O LYS A 101 8.230 -14.021 -4.678 1.00 0.27 O ATOM 1574 CB LYS A 101 5.222 -13.909 -3.412 1.00 0.34 C ATOM 1575 CG LYS A 101 5.878 -15.042 -2.637 1.00 0.78 C ATOM 1576 CD LYS A 101 4.851 -15.906 -1.926 1.00 0.76 C ATOM 1577 CE LYS A 101 4.125 -16.828 -2.892 1.00 0.97 C ATOM 1578 NZ LYS A 101 3.267 -17.805 -2.173 1.00 1.05 N ATOM 0 H LYS A 101 4.470 -11.930 -4.657 1.00 0.25 H new ATOM 0 HA LYS A 101 6.819 -12.489 -3.193 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.531 -13.385 -2.752 1.00 0.34 H new ATOM 0 HB3 LYS A 101 4.629 -14.333 -4.222 1.00 0.34 H new ATOM 0 HG2 LYS A 101 6.462 -15.659 -3.320 1.00 0.78 H new ATOM 0 HG3 LYS A 101 6.573 -14.628 -1.907 1.00 0.78 H new ATOM 0 HD2 LYS A 101 5.345 -16.501 -1.158 1.00 0.76 H new ATOM 0 HD3 LYS A 101 4.127 -15.268 -1.419 1.00 0.76 H new ATOM 0 HE2 LYS A 101 3.512 -16.235 -3.571 1.00 0.97 H new ATOM 0 HE3 LYS A 101 4.853 -17.362 -3.503 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 2.787 -18.418 -2.862 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 3.856 -18.387 -1.543 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 2.557 -17.295 -1.610 1.00 1.05 H new ATOM 1592 N ARG A 102 6.662 -13.665 -6.250 1.00 0.22 N ATOM 1593 CA ARG A 102 7.429 -14.289 -7.321 1.00 0.23 C ATOM 1594 C ARG A 102 8.512 -13.346 -7.823 1.00 0.21 C ATOM 1595 O ARG A 102 9.637 -13.764 -8.091 1.00 0.26 O ATOM 1596 CB ARG A 102 6.513 -14.678 -8.478 1.00 0.29 C ATOM 1597 CG ARG A 102 5.639 -15.883 -8.188 1.00 0.35 C ATOM 1598 CD ARG A 102 4.697 -16.157 -9.347 1.00 0.44 C ATOM 1599 NE ARG A 102 4.060 -17.462 -9.236 1.00 0.58 N ATOM 1600 CZ ARG A 102 3.215 -17.958 -10.136 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.903 -17.255 -11.219 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.681 -19.157 -9.951 1.00 0.91 N ATOM 0 H ARG A 102 5.753 -13.305 -6.540 1.00 0.22 H new ATOM 0 HA ARG A 102 7.899 -15.188 -6.921 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.875 -13.829 -8.725 1.00 0.29 H new ATOM 0 HB3 ARG A 102 7.122 -14.886 -9.358 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.265 -16.757 -8.008 1.00 0.35 H new ATOM 0 HG3 ARG A 102 5.063 -15.710 -7.279 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.931 -15.382 -9.383 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.250 -16.102 -10.285 1.00 0.44 H new ATOM 0 HE ARG A 102 4.275 -18.031 -8.417 1.00 0.58 H new ATOM 0 HH11 ARG A 102 3.312 -16.332 -11.363 1.00 0.89 H new ATOM 0 HH12 ARG A 102 2.255 -17.639 -11.907 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.918 -19.698 -9.119 1.00 0.91 H new ATOM 0 HH22 ARG A 102 2.033 -19.539 -10.640 1.00 0.91 H new ATOM 1616 N VAL A 103 8.163 -12.073 -7.939 1.00 0.21 N ATOM 1617 CA VAL A 103 9.097 -11.061 -8.411 1.00 0.23 C ATOM 1618 C VAL A 103 10.328 -10.997 -7.513 1.00 0.19 C ATOM 1619 O VAL A 103 11.464 -11.059 -7.988 1.00 0.21 O ATOM 1620 CB VAL A 103 8.433 -9.673 -8.472 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.442 -8.603 -8.849 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.277 -9.678 -9.458 1.00 0.35 C ATOM 0 H VAL A 103 7.235 -11.715 -7.712 1.00 0.21 H new ATOM 0 HA VAL A 103 9.403 -11.347 -9.417 1.00 0.23 H new ATOM 0 HB VAL A 103 8.045 -9.442 -7.480 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.947 -7.633 -8.885 1.00 0.35 H new ATOM 0 HG12 VAL A 103 10.239 -8.576 -8.106 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.865 -8.831 -9.827 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.820 -8.689 -9.488 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.646 -9.937 -10.450 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.534 -10.412 -9.144 1.00 0.35 H new ATOM 1632 N LYS A 104 10.096 -10.890 -6.214 1.00 0.17 N ATOM 1633 CA LYS A 104 11.188 -10.821 -5.252 1.00 0.16 C ATOM 1634 C LYS A 104 11.717 -12.214 -4.923 1.00 0.18 C ATOM 1635 O LYS A 104 12.771 -12.348 -4.299 1.00 0.28 O ATOM 1636 CB LYS A 104 10.735 -10.110 -3.976 1.00 0.18 C ATOM 1637 CG LYS A 104 10.522 -8.615 -4.160 1.00 0.26 C ATOM 1638 CD LYS A 104 9.823 -7.995 -2.962 1.00 0.32 C ATOM 1639 CE LYS A 104 10.758 -7.862 -1.771 1.00 0.51 C ATOM 1640 NZ LYS A 104 11.774 -6.791 -1.966 1.00 0.63 N ATOM 0 H LYS A 104 9.164 -10.849 -5.801 1.00 0.17 H new ATOM 0 HA LYS A 104 11.998 -10.247 -5.703 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.806 -10.562 -3.628 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.479 -10.270 -3.196 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.484 -8.126 -4.313 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.929 -8.440 -5.058 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.438 -7.012 -3.234 1.00 0.32 H new ATOM 0 HD3 LYS A 104 8.965 -8.607 -2.684 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.174 -7.647 -0.876 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.264 -8.813 -1.601 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 12.367 -6.715 -1.115 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.372 -7.024 -2.784 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.294 -5.884 -2.135 1.00 0.63 H new ATOM 1654 N ASP A 105 10.975 -13.239 -5.349 1.00 0.17 N ATOM 1655 CA ASP A 105 11.348 -14.637 -5.115 1.00 0.21 C ATOM 1656 C ASP A 105 11.572 -14.896 -3.624 1.00 0.23 C ATOM 1657 O ASP A 105 12.579 -15.474 -3.214 1.00 0.28 O ATOM 1658 CB ASP A 105 12.595 -15.001 -5.931 1.00 0.24 C ATOM 1659 CG ASP A 105 12.886 -16.488 -5.932 1.00 0.34 C ATOM 1660 OD1 ASP A 105 11.970 -17.282 -6.241 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.039 -16.871 -5.628 1.00 0.47 O ATOM 0 H ASP A 105 10.102 -13.125 -5.864 1.00 0.17 H new ATOM 0 HA ASP A 105 10.527 -15.274 -5.445 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.463 -14.661 -6.958 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.456 -14.468 -5.527 1.00 0.24 H new ATOM 1666 N SER A 106 10.618 -14.457 -2.820 1.00 0.28 N ATOM 1667 CA SER A 106 10.692 -14.616 -1.375 1.00 0.33 C ATOM 1668 C SER A 106 9.301 -14.525 -0.761 1.00 0.36 C ATOM 1669 O SER A 106 8.454 -13.770 -1.239 1.00 0.56 O ATOM 1670 CB SER A 106 11.601 -13.538 -0.767 1.00 0.36 C ATOM 1671 OG SER A 106 11.670 -13.660 0.646 1.00 1.14 O ATOM 0 H SER A 106 9.776 -13.983 -3.146 1.00 0.28 H new ATOM 0 HA SER A 106 11.112 -15.598 -1.157 1.00 0.33 H new ATOM 0 HB2 SER A 106 12.602 -13.621 -1.191 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.224 -12.550 -1.031 1.00 0.36 H new ATOM 0 HG SER A 106 12.257 -12.962 1.006 1.00 1.14 H new ATOM 1677 N GLU A 107 9.065 -15.306 0.283 1.00 0.42 N ATOM 1678 CA GLU A 107 7.777 -15.296 0.962 1.00 0.54 C ATOM 1679 C GLU A 107 7.775 -14.284 2.102 1.00 0.42 C ATOM 1680 O GLU A 107 6.720 -13.873 2.585 1.00 0.54 O ATOM 1681 CB GLU A 107 7.455 -16.687 1.500 1.00 0.74 C ATOM 1682 CG GLU A 107 6.996 -17.663 0.432 1.00 1.11 C ATOM 1683 CD GLU A 107 7.752 -18.970 0.486 1.00 1.17 C ATOM 1684 OE1 GLU A 107 8.040 -19.535 -0.589 1.00 1.74 O ATOM 1685 OE2 GLU A 107 8.066 -19.436 1.604 1.00 1.46 O ATOM 0 H GLU A 107 9.747 -15.954 0.678 1.00 0.42 H new ATOM 0 HA GLU A 107 7.013 -15.006 0.241 1.00 0.54 H new ATOM 0 HB2 GLU A 107 8.340 -17.090 1.992 1.00 0.74 H new ATOM 0 HB3 GLU A 107 6.678 -16.602 2.260 1.00 0.74 H new ATOM 0 HG2 GLU A 107 5.930 -17.857 0.554 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.127 -17.210 -0.551 1.00 1.11 H new ATOM 1692 N ASP A 108 8.960 -13.873 2.525 1.00 0.35 N ATOM 1693 CA ASP A 108 9.077 -12.912 3.612 1.00 0.37 C ATOM 1694 C ASP A 108 9.112 -11.491 3.069 1.00 0.29 C ATOM 1695 O ASP A 108 10.140 -10.813 3.101 1.00 0.39 O ATOM 1696 CB ASP A 108 10.319 -13.193 4.456 1.00 0.54 C ATOM 1697 CG ASP A 108 10.291 -12.477 5.793 1.00 0.65 C ATOM 1698 OD1 ASP A 108 9.204 -12.394 6.408 1.00 0.77 O ATOM 1699 OD2 ASP A 108 11.364 -12.015 6.246 1.00 0.78 O ATOM 0 H ASP A 108 9.849 -14.187 2.136 1.00 0.35 H new ATOM 0 HA ASP A 108 8.200 -13.016 4.251 1.00 0.37 H new ATOM 0 HB2 ASP A 108 10.404 -14.267 4.625 1.00 0.54 H new ATOM 0 HB3 ASP A 108 11.207 -12.886 3.903 1.00 0.54 H new ATOM 1704 N VAL A 109 7.983 -11.062 2.541 1.00 0.25 N ATOM 1705 CA VAL A 109 7.849 -9.723 1.992 1.00 0.21 C ATOM 1706 C VAL A 109 6.971 -8.878 2.909 1.00 0.18 C ATOM 1707 O VAL A 109 5.775 -9.154 3.052 1.00 0.25 O ATOM 1708 CB VAL A 109 7.235 -9.747 0.572 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.079 -8.334 0.024 1.00 0.31 C ATOM 1710 CG2 VAL A 109 8.086 -10.594 -0.364 1.00 0.47 C ATOM 0 H VAL A 109 7.136 -11.626 2.479 1.00 0.25 H new ATOM 0 HA VAL A 109 8.847 -9.289 1.923 1.00 0.21 H new ATOM 0 HB VAL A 109 6.244 -10.196 0.638 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.646 -8.377 -0.975 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.424 -7.760 0.679 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.056 -7.853 -0.025 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.639 -10.599 -1.358 1.00 0.47 H new ATOM 0 HG22 VAL A 109 9.091 -10.176 -0.421 1.00 0.47 H new ATOM 0 HG23 VAL A 109 8.139 -11.614 0.015 1.00 0.47 H new ATOM 1720 N PRO A 110 7.562 -7.862 3.562 1.00 0.15 N ATOM 1721 CA PRO A 110 6.835 -6.966 4.466 1.00 0.15 C ATOM 1722 C PRO A 110 5.622 -6.348 3.788 1.00 0.14 C ATOM 1723 O PRO A 110 5.755 -5.564 2.842 1.00 0.17 O ATOM 1724 CB PRO A 110 7.866 -5.889 4.815 1.00 0.18 C ATOM 1725 CG PRO A 110 9.186 -6.537 4.593 1.00 0.25 C ATOM 1726 CD PRO A 110 8.986 -7.510 3.467 1.00 0.23 C ATOM 0 HA PRO A 110 6.446 -7.488 5.340 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.747 -5.009 4.184 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.757 -5.558 5.848 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.946 -5.798 4.339 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.526 -7.048 5.494 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.224 -7.061 2.503 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.624 -8.387 3.577 1.00 0.23 H new ATOM 1734 N MET A 111 4.447 -6.712 4.259 1.00 0.13 N ATOM 1735 CA MET A 111 3.212 -6.211 3.685 1.00 0.14 C ATOM 1736 C MET A 111 2.174 -5.947 4.760 1.00 0.15 C ATOM 1737 O MET A 111 2.199 -6.565 5.823 1.00 0.17 O ATOM 1738 CB MET A 111 2.644 -7.215 2.682 1.00 0.17 C ATOM 1739 CG MET A 111 3.097 -6.981 1.254 1.00 0.24 C ATOM 1740 SD MET A 111 2.452 -8.229 0.127 1.00 0.34 S ATOM 1741 CE MET A 111 3.140 -7.663 -1.426 1.00 0.79 C ATOM 0 H MET A 111 4.320 -7.355 5.040 1.00 0.13 H new ATOM 0 HA MET A 111 3.443 -5.274 3.178 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.935 -8.221 2.985 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.555 -7.174 2.719 1.00 0.17 H new ATOM 0 HG2 MET A 111 2.770 -5.994 0.927 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.186 -6.985 1.214 1.00 0.24 H new ATOM 0 HE1 MET A 111 2.860 -8.354 -2.221 1.00 0.79 H new ATOM 0 HE2 MET A 111 2.753 -6.670 -1.655 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.226 -7.620 -1.349 1.00 0.79 H new ATOM 1751 N VAL A 112 1.276 -5.025 4.468 1.00 0.16 N ATOM 1752 CA VAL A 112 0.201 -4.670 5.380 1.00 0.16 C ATOM 1753 C VAL A 112 -1.112 -4.651 4.615 1.00 0.17 C ATOM 1754 O VAL A 112 -1.225 -3.968 3.594 1.00 0.17 O ATOM 1755 CB VAL A 112 0.434 -3.291 6.045 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.738 -2.913 6.944 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.730 -3.289 6.840 1.00 0.21 C ATOM 0 H VAL A 112 1.270 -4.501 3.593 1.00 0.16 H new ATOM 0 HA VAL A 112 0.172 -5.416 6.174 1.00 0.16 H new ATOM 0 HB VAL A 112 0.511 -2.547 5.252 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.549 -1.941 7.399 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.651 -2.865 6.351 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.853 -3.663 7.726 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.874 -2.311 7.299 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.681 -4.051 7.618 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.566 -3.504 6.174 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.082 -5.427 5.079 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.386 -5.475 4.435 1.00 0.19 C ATOM 1769 C LEU A 113 -4.247 -4.347 4.975 1.00 0.20 C ATOM 1770 O LEU A 113 -4.473 -4.245 6.182 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.064 -6.831 4.663 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.373 -7.042 3.893 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -5.130 -7.005 2.392 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.021 -8.355 4.296 1.00 0.29 C ATOM 0 H LEU A 113 -1.990 -6.030 5.897 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.257 -5.352 3.360 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.366 -7.620 4.384 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.265 -6.945 5.728 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.052 -6.228 4.147 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -6.073 -7.157 1.867 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.712 -6.037 2.115 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.430 -7.794 2.117 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.949 -8.489 3.740 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.343 -9.179 4.074 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.237 -8.341 5.364 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.712 -3.488 4.088 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.512 -2.350 4.499 1.00 0.28 C ATOM 1788 C VAL A 114 -6.827 -2.284 3.731 1.00 0.24 C ATOM 1789 O VAL A 114 -6.869 -2.522 2.523 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.748 -1.027 4.280 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.450 0.126 4.974 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.305 -1.138 4.750 1.00 0.59 C ATOM 0 H VAL A 114 -4.551 -3.556 3.083 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.722 -2.482 5.560 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.737 -0.826 3.209 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.892 1.047 4.805 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.458 0.233 4.572 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.505 -0.073 6.044 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.794 -0.190 4.582 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.286 -1.377 5.813 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.800 -1.926 4.192 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.897 -1.974 4.446 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.200 -1.834 3.829 1.00 0.19 C ATOM 1804 C GLY A 115 -9.635 -0.385 3.852 1.00 0.19 C ATOM 1805 O GLY A 115 -9.968 0.145 4.908 1.00 0.27 O ATOM 0 H GLY A 115 -7.886 -1.815 5.454 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.164 -2.195 2.801 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.929 -2.449 4.357 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.605 0.264 2.699 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.969 1.676 2.606 1.00 0.15 C ATOM 1811 C ASN A 116 -11.463 1.840 2.350 1.00 0.16 C ATOM 1812 O ASN A 116 -12.150 0.877 1.995 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.156 2.365 1.496 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.286 3.882 1.516 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.491 4.494 2.567 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.178 4.502 0.351 1.00 0.21 N ATOM 0 H ASN A 116 -9.333 -0.161 1.813 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.735 2.150 3.559 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.105 2.095 1.602 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.485 1.991 0.527 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.265 5.517 0.304 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.008 3.964 -0.499 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.948 3.069 2.547 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.347 3.417 2.339 1.00 0.21 C ATOM 1825 C LYS A 117 -14.240 2.730 3.367 1.00 0.23 C ATOM 1826 O LYS A 117 -15.379 2.371 3.072 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.797 3.049 0.920 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.022 3.756 -0.180 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.481 3.287 -1.554 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.676 3.928 -2.675 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.126 3.469 -4.019 1.00 0.54 N ATOM 0 H LYS A 117 -11.373 3.852 2.857 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.442 4.496 2.465 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.696 1.972 0.786 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.856 3.285 0.813 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.161 4.834 -0.094 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -11.956 3.562 -0.062 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.389 2.203 -1.616 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.537 3.525 -1.684 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.768 5.012 -2.613 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.620 3.690 -2.545 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.330 3.516 -4.686 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.467 2.489 -3.955 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -13.896 4.082 -4.355 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.732 2.576 4.587 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.494 1.931 5.655 1.00 0.33 C ATOM 1847 C CYS A 118 -15.679 2.795 6.094 1.00 0.38 C ATOM 1848 O CYS A 118 -16.575 2.328 6.805 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.598 1.630 6.858 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.984 3.106 7.713 1.00 0.41 S ATOM 0 H CYS A 118 -12.800 2.887 4.861 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.880 0.992 5.257 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -14.155 1.018 7.568 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.747 1.037 6.524 1.00 0.36 H new ATOM 0 HG CYS A 118 -12.238 2.748 8.716 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.679 4.053 5.664 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.747 4.987 6.002 1.00 0.45 C ATOM 1858 C ASP A 119 -17.905 4.856 5.020 1.00 0.46 C ATOM 1859 O ASP A 119 -19.005 5.352 5.272 1.00 0.54 O ATOM 1860 CB ASP A 119 -16.232 6.429 6.000 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.854 6.918 4.615 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.789 6.495 4.109 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.613 7.734 4.041 1.00 0.70 O ATOM 0 H ASP A 119 -14.946 4.451 5.077 1.00 0.38 H new ATOM 0 HA ASP A 119 -17.099 4.741 7.004 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.998 7.084 6.415 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.363 6.500 6.655 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.662 4.174 3.910 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.690 3.982 2.902 1.00 0.45 C ATOM 1870 C LEU A 120 -19.591 2.815 3.286 1.00 0.42 C ATOM 1871 O LEU A 120 -19.126 1.818 3.844 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.070 3.725 1.525 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.287 4.894 0.922 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -16.870 4.575 -0.504 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.104 6.174 0.964 1.00 0.62 C ATOM 0 H LEU A 120 -16.764 3.746 3.686 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.283 4.895 2.848 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.403 2.866 1.601 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.867 3.450 0.834 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.389 5.046 1.521 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.314 5.417 -0.918 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.239 3.686 -0.508 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.757 4.393 -1.110 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.525 6.989 0.530 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.023 6.038 0.394 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.350 6.415 1.998 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.899 2.939 3.020 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.867 1.887 3.322 1.00 0.43 C ATOM 1889 C PRO A 121 -21.813 0.753 2.302 1.00 0.48 C ATOM 1890 O PRO A 121 -20.985 0.774 1.390 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.210 2.610 3.246 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.991 3.752 2.315 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.536 4.127 2.421 1.00 0.44 C ATOM 0 HA PRO A 121 -21.678 1.417 4.287 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.993 1.947 2.878 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.525 2.959 4.229 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.244 3.471 1.293 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.628 4.595 2.581 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.112 4.356 1.444 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.397 5.010 3.044 1.00 0.44 H new ATOM 1901 N SER A 122 -22.695 -0.228 2.466 1.00 0.52 N ATOM 1902 CA SER A 122 -22.766 -1.376 1.564 1.00 0.59 C ATOM 1903 C SER A 122 -21.474 -2.188 1.602 1.00 0.53 C ATOM 1904 O SER A 122 -20.896 -2.522 0.564 1.00 0.55 O ATOM 1905 CB SER A 122 -23.075 -0.910 0.136 1.00 0.68 C ATOM 1906 OG SER A 122 -24.163 0.005 0.131 1.00 0.84 O ATOM 0 H SER A 122 -23.378 -0.251 3.223 1.00 0.52 H new ATOM 0 HA SER A 122 -23.574 -2.025 1.901 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.193 -0.437 -0.296 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.314 -1.770 -0.489 1.00 0.68 H new ATOM 0 HG SER A 122 -24.344 0.293 -0.788 1.00 0.84 H new ATOM 1912 N ARG A 123 -21.021 -2.496 2.813 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.809 -3.278 2.996 1.00 0.41 C ATOM 1914 C ARG A 123 -20.065 -4.729 2.616 1.00 0.36 C ATOM 1915 O ARG A 123 -20.812 -5.438 3.293 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.319 -3.206 4.447 1.00 0.45 C ATOM 1917 CG ARG A 123 -18.173 -4.163 4.732 1.00 0.42 C ATOM 1918 CD ARG A 123 -18.121 -4.572 6.195 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.542 -3.533 7.041 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.235 -3.389 7.268 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.356 -4.213 6.702 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -15.807 -2.421 8.068 1.00 0.58 N ATOM 0 H ARG A 123 -21.477 -2.215 3.681 1.00 0.47 H new ATOM 0 HA ARG A 123 -19.037 -2.861 2.350 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -18.999 -2.188 4.667 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.149 -3.431 5.117 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -18.281 -5.052 4.111 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.230 -3.692 4.454 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -19.129 -4.800 6.542 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.535 -5.486 6.294 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.179 -2.873 7.488 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.680 -4.962 6.089 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.359 -4.096 6.881 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.476 -1.789 8.508 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -14.809 -2.308 8.243 1.00 0.58 H new ATOM 1936 N THR A 124 -19.463 -5.163 1.525 1.00 0.33 N ATOM 1937 CA THR A 124 -19.623 -6.527 1.065 1.00 0.32 C ATOM 1938 C THR A 124 -18.482 -7.405 1.571 1.00 0.30 C ATOM 1939 O THR A 124 -18.604 -8.628 1.640 1.00 0.33 O ATOM 1940 CB THR A 124 -19.698 -6.574 -0.472 1.00 0.38 C ATOM 1941 OG1 THR A 124 -18.814 -5.592 -1.028 1.00 0.65 O ATOM 1942 CG2 THR A 124 -21.117 -6.308 -0.950 1.00 0.81 C ATOM 0 H THR A 124 -18.857 -4.588 0.940 1.00 0.33 H new ATOM 0 HA THR A 124 -20.558 -6.915 1.468 1.00 0.32 H new ATOM 0 HB THR A 124 -19.399 -7.569 -0.803 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.312 -5.016 -1.645 1.00 0.65 H new ATOM 0 HG21 THR A 124 -21.147 -6.346 -2.039 1.00 0.81 H new ATOM 0 HG22 THR A 124 -21.786 -7.065 -0.542 1.00 0.81 H new ATOM 0 HG23 THR A 124 -21.436 -5.322 -0.612 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.374 -6.772 1.931 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.218 -7.495 2.446 1.00 0.32 C ATOM 1952 C VAL A 125 -16.200 -7.435 3.965 1.00 0.35 C ATOM 1953 O VAL A 125 -15.986 -6.376 4.554 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.891 -6.929 1.897 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.712 -7.761 2.384 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.917 -6.871 0.375 1.00 0.28 C ATOM 0 H VAL A 125 -17.251 -5.761 1.876 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.308 -8.529 2.113 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.772 -5.913 2.273 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.785 -7.347 1.987 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.680 -7.743 3.473 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.826 -8.789 2.041 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.972 -6.469 0.010 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -15.063 -7.874 -0.025 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.735 -6.228 0.049 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.451 -8.572 4.593 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.465 -8.656 6.048 1.00 0.41 C ATOM 1968 C ASP A 126 -15.075 -8.431 6.625 1.00 0.36 C ATOM 1969 O ASP A 126 -14.074 -8.870 6.050 1.00 0.34 O ATOM 1970 CB ASP A 126 -16.991 -10.015 6.508 1.00 0.47 C ATOM 1971 CG ASP A 126 -18.458 -9.978 6.875 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -18.874 -9.050 7.602 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -19.208 -10.878 6.441 1.00 1.69 O ATOM 0 H ASP A 126 -16.649 -9.453 4.118 1.00 0.37 H new ATOM 0 HA ASP A 126 -17.129 -7.872 6.413 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -16.837 -10.747 5.715 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.413 -10.351 7.369 1.00 0.47 H new ATOM 1978 N THR A 127 -15.021 -7.756 7.766 1.00 0.36 N ATOM 1979 CA THR A 127 -13.760 -7.472 8.438 1.00 0.33 C ATOM 1980 C THR A 127 -13.030 -8.767 8.791 1.00 0.27 C ATOM 1981 O THR A 127 -11.807 -8.870 8.647 1.00 0.26 O ATOM 1982 CB THR A 127 -13.997 -6.646 9.718 1.00 0.39 C ATOM 1983 OG1 THR A 127 -14.951 -5.606 9.462 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.700 -6.034 10.227 1.00 0.56 C ATOM 0 H THR A 127 -15.843 -7.393 8.248 1.00 0.36 H new ATOM 0 HA THR A 127 -13.141 -6.893 7.752 1.00 0.33 H new ATOM 0 HB THR A 127 -14.384 -7.318 10.484 1.00 0.39 H new ATOM 0 HG1 THR A 127 -15.097 -5.087 10.281 1.00 0.82 H new ATOM 0 HG21 THR A 127 -12.900 -5.458 11.130 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.987 -6.827 10.453 1.00 0.56 H new ATOM 0 HG23 THR A 127 -12.283 -5.378 9.463 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.790 -9.764 9.232 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.229 -11.058 9.597 1.00 0.27 C ATOM 1994 C LYS A 128 -12.555 -11.719 8.397 1.00 0.24 C ATOM 1995 O LYS A 128 -11.502 -12.338 8.534 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.321 -11.971 10.150 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.820 -13.353 10.542 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.970 -14.313 10.793 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.470 -15.726 11.037 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.702 -16.262 9.877 1.00 0.62 N ATOM 0 H LYS A 128 -14.802 -9.699 9.345 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.476 -10.895 10.368 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.772 -11.497 11.022 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.107 -12.077 9.402 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.182 -13.747 9.751 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.206 -13.277 11.439 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.546 -13.976 11.655 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.644 -14.307 9.937 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.838 -15.737 11.925 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.318 -16.379 11.241 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.895 -17.279 9.773 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -13.990 -15.764 9.010 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.685 -16.118 10.038 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.161 -11.572 7.221 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.623 -12.166 5.998 1.00 0.26 C ATOM 2016 C GLN A 129 -11.212 -11.663 5.730 1.00 0.25 C ATOM 2017 O GLN A 129 -10.282 -12.447 5.540 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.512 -11.841 4.796 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.831 -12.589 4.778 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.730 -12.156 3.637 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.953 -12.142 3.769 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.135 -11.802 2.508 1.00 0.93 N ATOM 0 H GLN A 129 -14.025 -11.047 7.088 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.598 -13.246 6.141 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.714 -10.770 4.787 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -12.965 -12.070 3.881 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.637 -13.659 4.697 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.348 -12.429 5.724 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.118 -11.827 2.438 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.694 -11.504 1.709 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.060 -10.348 5.737 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.769 -9.732 5.488 1.00 0.27 C ATOM 2033 C ALA A 130 -8.795 -10.034 6.622 1.00 0.25 C ATOM 2034 O ALA A 130 -7.622 -10.317 6.385 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.931 -8.237 5.300 1.00 0.30 C ATOM 0 H ALA A 130 -11.817 -9.687 5.913 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.355 -10.154 4.572 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -8.956 -7.786 5.114 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.587 -8.046 4.451 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.366 -7.802 6.200 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.304 -9.989 7.850 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.498 -10.272 9.029 1.00 0.26 C ATOM 2043 C GLN A 131 -7.965 -11.700 8.977 1.00 0.27 C ATOM 2044 O GLN A 131 -6.815 -11.958 9.320 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.325 -10.073 10.305 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.502 -10.096 11.585 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.542 -8.928 11.678 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.386 -9.027 11.272 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -8.013 -7.816 12.212 1.00 0.42 N ATOM 0 H GLN A 131 -10.277 -9.758 8.053 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.657 -9.579 9.042 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.851 -9.120 10.240 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -10.084 -10.853 10.359 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -9.172 -10.081 12.444 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.940 -11.029 11.635 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.979 -7.776 12.537 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.411 -6.997 12.300 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.804 -12.626 8.536 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.414 -14.028 8.434 1.00 0.33 C ATOM 2060 C ASP A 132 -7.322 -14.193 7.390 1.00 0.28 C ATOM 2061 O ASP A 132 -6.306 -14.842 7.643 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.617 -14.902 8.066 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.051 -15.807 9.200 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -9.320 -16.771 9.514 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -11.130 -15.560 9.780 1.00 1.18 O ATOM 0 H ASP A 132 -9.761 -12.433 8.242 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.036 -14.347 9.405 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.451 -14.262 7.778 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.367 -15.510 7.197 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.527 -13.567 6.233 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.565 -13.642 5.137 1.00 0.26 C ATOM 2072 C LEU A 133 -5.206 -13.091 5.563 1.00 0.21 C ATOM 2073 O LEU A 133 -4.165 -13.704 5.310 1.00 0.20 O ATOM 2074 CB LEU A 133 -7.078 -12.868 3.916 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.279 -13.092 2.629 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.402 -14.540 2.180 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.747 -12.139 1.538 1.00 0.44 C ATOM 0 H LEU A 133 -8.352 -13.002 6.031 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.447 -14.692 4.869 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.116 -13.149 3.736 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.072 -11.803 4.150 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.227 -12.884 2.827 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.830 -14.687 1.264 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -6.015 -15.197 2.959 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.450 -14.776 1.995 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -6.168 -12.312 0.631 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.804 -12.311 1.333 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.605 -11.110 1.868 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.228 -11.948 6.240 1.00 0.21 N ATOM 2090 CA ALA A 134 -4.006 -11.303 6.700 1.00 0.21 C ATOM 2091 C ALA A 134 -3.266 -12.189 7.695 1.00 0.22 C ATOM 2092 O ALA A 134 -2.048 -12.352 7.618 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.328 -9.957 7.325 1.00 0.25 C ATOM 0 H ALA A 134 -6.083 -11.448 6.483 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.356 -11.145 5.840 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.407 -9.484 7.665 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.812 -9.319 6.586 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.997 -10.101 8.174 1.00 0.25 H new ATOM 2099 N ARG A 135 -4.020 -12.781 8.616 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.458 -13.659 9.638 1.00 0.30 C ATOM 2101 C ARG A 135 -2.818 -14.913 9.028 1.00 0.25 C ATOM 2102 O ARG A 135 -1.793 -15.388 9.520 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.540 -14.047 10.650 1.00 0.41 C ATOM 2104 CG ARG A 135 -4.922 -12.910 11.587 1.00 1.21 C ATOM 2105 CD ARG A 135 -6.002 -13.321 12.574 1.00 1.34 C ATOM 2106 NE ARG A 135 -7.300 -13.502 11.930 1.00 1.20 N ATOM 2107 CZ ARG A 135 -8.353 -14.047 12.534 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -8.249 -14.458 13.795 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -9.502 -14.184 11.892 1.00 1.43 N ATOM 0 H ARG A 135 -5.032 -12.667 8.676 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.668 -13.109 10.150 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.428 -14.380 10.113 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.189 -14.893 11.241 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -4.039 -12.579 12.134 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -5.271 -12.060 11.001 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.709 -14.250 13.064 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -6.087 -12.563 13.353 1.00 1.34 H new ATOM 0 HE ARG A 135 -7.405 -13.194 10.963 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.365 -14.355 14.294 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -9.053 -14.876 14.263 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -9.586 -13.871 10.925 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -10.303 -14.603 12.364 1.00 1.43 H new ATOM 2123 N SER A 136 -3.407 -15.444 7.960 1.00 0.30 N ATOM 2124 CA SER A 136 -2.862 -16.631 7.310 1.00 0.34 C ATOM 2125 C SER A 136 -1.615 -16.290 6.497 1.00 0.29 C ATOM 2126 O SER A 136 -0.773 -17.151 6.235 1.00 0.36 O ATOM 2127 CB SER A 136 -3.916 -17.286 6.417 1.00 0.43 C ATOM 2128 OG SER A 136 -4.731 -16.322 5.767 1.00 0.68 O ATOM 0 H SER A 136 -4.255 -15.075 7.530 1.00 0.30 H new ATOM 0 HA SER A 136 -2.576 -17.338 8.089 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.423 -17.908 5.670 1.00 0.43 H new ATOM 0 HB3 SER A 136 -4.542 -17.945 7.018 1.00 0.43 H new ATOM 0 HG SER A 136 -4.219 -15.497 5.635 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.502 -15.026 6.107 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.362 -14.563 5.315 1.00 0.26 C ATOM 2136 C TYR A 137 0.775 -14.097 6.215 1.00 0.25 C ATOM 2137 O TYR A 137 1.920 -13.968 5.774 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.771 -13.422 4.380 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.535 -13.871 3.147 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -2.096 -15.145 3.062 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -1.705 -13.014 2.067 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -2.798 -15.543 1.939 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.405 -13.408 0.945 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.949 -14.669 0.885 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.645 -15.058 -0.232 1.00 0.77 O ATOM 0 H TYR A 137 -2.185 -14.300 6.325 1.00 0.27 H new ATOM 0 HA TYR A 137 -0.018 -15.407 4.717 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.385 -12.714 4.936 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.125 -12.887 4.064 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -1.980 -15.832 3.887 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -1.282 -12.021 2.106 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -3.225 -16.534 1.889 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -2.525 -12.727 0.116 1.00 0.65 H new ATOM 0 HH TYR A 137 -3.659 -14.324 -0.881 1.00 0.77 H new ATOM 2155 N GLY A 138 0.453 -13.851 7.476 1.00 0.24 N ATOM 2156 CA GLY A 138 1.445 -13.387 8.426 1.00 0.23 C ATOM 2157 C GLY A 138 1.654 -11.890 8.335 1.00 0.21 C ATOM 2158 O GLY A 138 2.744 -11.382 8.603 1.00 0.25 O ATOM 0 H GLY A 138 -0.484 -13.965 7.861 1.00 0.24 H new ATOM 0 HA2 GLY A 138 1.131 -13.649 9.436 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.390 -13.898 8.243 1.00 0.23 H new ATOM 2162 N ILE A 139 0.598 -11.184 7.954 1.00 0.19 N ATOM 2163 CA ILE A 139 0.650 -9.738 7.813 1.00 0.20 C ATOM 2164 C ILE A 139 -0.477 -9.079 8.614 1.00 0.19 C ATOM 2165 O ILE A 139 -1.511 -9.699 8.854 1.00 0.22 O ATOM 2166 CB ILE A 139 0.547 -9.320 6.329 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.806 -9.740 5.743 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.697 -9.922 5.524 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -1.020 -9.280 4.317 1.00 0.51 C ATOM 0 H ILE A 139 -0.310 -11.594 7.736 1.00 0.19 H new ATOM 0 HA ILE A 139 1.610 -9.401 8.203 1.00 0.20 H new ATOM 0 HB ILE A 139 0.620 -8.234 6.270 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.887 -10.826 5.781 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.603 -9.339 6.369 1.00 0.26 H new ATOM 0 HG21 ILE A 139 1.609 -9.618 4.481 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.647 -9.569 5.926 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.657 -11.009 5.589 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.998 -9.614 3.970 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -0.972 -8.192 4.275 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.245 -9.703 3.678 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.288 -7.831 9.056 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.298 -7.104 9.821 1.00 0.19 C ATOM 2183 C PRO A 140 -2.401 -6.537 8.928 1.00 0.16 C ATOM 2184 O PRO A 140 -2.158 -6.193 7.769 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.511 -5.959 10.473 1.00 0.24 C ATOM 2186 CG PRO A 140 0.918 -6.137 10.068 1.00 0.36 C ATOM 2187 CD PRO A 140 0.918 -7.028 8.863 1.00 0.20 C ATOM 0 HA PRO A 140 -1.803 -7.753 10.537 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -0.890 -4.992 10.143 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.613 -5.988 11.558 1.00 0.24 H new ATOM 0 HG2 PRO A 140 1.377 -5.176 9.838 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.497 -6.581 10.878 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.879 -6.455 7.936 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.814 -7.647 8.818 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.612 -6.451 9.468 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.743 -5.912 8.728 1.00 0.19 C ATOM 2197 C PHE A 141 -5.397 -4.773 9.502 1.00 0.19 C ATOM 2198 O PHE A 141 -5.786 -4.940 10.658 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.771 -7.010 8.438 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.119 -6.486 8.030 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.265 -5.704 6.896 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.237 -6.771 8.789 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.504 -5.216 6.529 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.478 -6.289 8.428 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.612 -5.510 7.299 1.00 0.35 C ATOM 0 H PHE A 141 -3.834 -6.749 10.418 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.373 -5.522 7.780 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.387 -7.654 7.647 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.886 -7.631 9.327 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.400 -5.473 6.292 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.138 -7.379 9.676 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.606 -4.607 5.643 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.344 -6.522 9.030 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.583 -5.130 7.017 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.502 -3.615 8.867 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.116 -2.453 9.492 1.00 0.21 C ATOM 2217 C ILE A 142 -7.118 -1.803 8.537 1.00 0.19 C ATOM 2218 O ILE A 142 -6.831 -1.626 7.354 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.052 -1.403 9.894 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -3.903 -2.056 10.677 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.689 -0.297 10.722 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.699 -1.153 10.855 1.00 0.54 C ATOM 0 H ILE A 142 -5.169 -3.455 7.916 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.629 -2.798 10.390 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.641 -0.971 8.982 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.269 -2.357 11.659 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.592 -2.964 10.160 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.929 0.434 10.998 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.468 0.192 10.138 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.126 -0.724 11.625 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -1.928 -1.681 11.417 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.307 -0.872 9.877 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -2.994 -0.256 11.399 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.303 -1.476 9.037 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.310 -0.821 8.218 1.00 0.21 C ATOM 2236 C GLU A 143 -9.108 0.681 8.302 1.00 0.21 C ATOM 2237 O GLU A 143 -8.906 1.222 9.388 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.711 -1.212 8.670 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.017 -2.679 8.449 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.488 -2.935 8.228 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.307 -2.405 9.008 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -12.831 -3.668 7.277 1.00 0.88 O ATOM 0 H GLU A 143 -8.588 -1.653 10.000 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.203 -1.141 7.181 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.823 -0.979 9.729 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.442 -0.609 8.131 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.455 -3.038 7.587 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.677 -3.252 9.312 1.00 0.34 H new ATOM 2249 N THR A 144 -9.164 1.354 7.166 1.00 0.24 N ATOM 2250 CA THR A 144 -8.924 2.782 7.130 1.00 0.27 C ATOM 2251 C THR A 144 -9.888 3.511 6.201 1.00 0.26 C ATOM 2252 O THR A 144 -10.702 2.898 5.507 1.00 0.28 O ATOM 2253 CB THR A 144 -7.491 3.067 6.634 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.346 2.616 5.282 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.452 2.377 7.502 1.00 0.36 C ATOM 0 H THR A 144 -9.373 0.934 6.260 1.00 0.24 H new ATOM 0 HA THR A 144 -9.071 3.145 8.147 1.00 0.27 H new ATOM 0 HB THR A 144 -7.329 4.143 6.692 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.435 2.801 4.971 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.455 2.600 7.123 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.539 2.735 8.528 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.616 1.300 7.479 1.00 0.36 H new ATOM 2263 N SER A 145 -9.775 4.825 6.200 1.00 0.25 N ATOM 2264 CA SER A 145 -10.571 5.684 5.344 1.00 0.26 C ATOM 2265 C SER A 145 -9.785 6.955 5.060 1.00 0.26 C ATOM 2266 O SER A 145 -9.567 7.768 5.961 1.00 0.30 O ATOM 2267 CB SER A 145 -11.913 6.027 6.000 1.00 0.27 C ATOM 2268 OG SER A 145 -12.556 7.108 5.334 1.00 0.33 O ATOM 0 H SER A 145 -9.122 5.331 6.799 1.00 0.25 H new ATOM 0 HA SER A 145 -10.784 5.160 4.412 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.561 5.151 5.985 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.752 6.286 7.046 1.00 0.27 H new ATOM 0 HG SER A 145 -13.220 6.756 4.705 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.324 7.106 3.826 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.563 8.285 3.434 1.00 0.34 C ATOM 2276 C ALA A 146 -9.459 9.515 3.433 1.00 0.29 C ATOM 2277 O ALA A 146 -8.993 10.646 3.582 1.00 0.32 O ATOM 2278 CB ALA A 146 -7.945 8.086 2.061 1.00 0.45 C ATOM 0 H ALA A 146 -9.464 6.426 3.078 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.762 8.435 4.157 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.380 8.976 1.784 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.277 7.225 2.084 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -8.734 7.914 1.328 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.751 9.267 3.269 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.754 10.317 3.247 1.00 0.40 C ATOM 2286 C LYS A 147 -11.893 10.979 4.614 1.00 0.40 C ATOM 2287 O LYS A 147 -11.888 12.205 4.720 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.095 9.742 2.793 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.246 10.728 2.844 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.508 10.114 2.265 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.745 10.844 2.738 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.984 10.125 2.351 1.00 1.32 N ATOM 0 H LYS A 147 -11.132 8.329 3.147 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.434 11.083 2.540 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -12.992 9.374 1.772 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.339 8.883 3.418 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.424 11.033 3.875 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.985 11.628 2.287 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.461 10.142 1.176 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.570 9.065 2.555 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.711 10.954 3.822 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.759 11.849 2.315 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.811 10.635 2.720 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -18.045 10.071 1.314 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -17.965 9.163 2.747 1.00 1.32 H new ATOM 2306 N THR A 148 -12.003 10.174 5.661 1.00 0.37 N ATOM 2307 CA THR A 148 -12.143 10.716 7.003 1.00 0.41 C ATOM 2308 C THR A 148 -10.799 10.756 7.716 1.00 0.42 C ATOM 2309 O THR A 148 -10.717 11.135 8.885 1.00 0.49 O ATOM 2310 CB THR A 148 -13.151 9.910 7.841 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.944 8.501 7.667 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.572 10.265 7.444 1.00 0.52 C ATOM 0 H THR A 148 -11.998 9.155 5.608 1.00 0.37 H new ATOM 0 HA THR A 148 -12.522 11.733 6.898 1.00 0.41 H new ATOM 0 HB THR A 148 -12.996 10.164 8.890 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.981 8.280 6.713 1.00 0.40 H new ATOM 0 HG21 THR A 148 -15.273 9.687 8.046 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.742 11.329 7.611 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.723 10.035 6.389 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.747 10.379 6.984 1.00 0.39 N ATOM 2321 CA ARG A 149 -8.382 10.351 7.517 1.00 0.46 C ATOM 2322 C ARG A 149 -8.317 9.479 8.771 1.00 0.48 C ATOM 2323 O ARG A 149 -7.713 9.849 9.779 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.891 11.770 7.824 1.00 0.54 C ATOM 2325 CG ARG A 149 -6.382 11.884 7.964 1.00 0.98 C ATOM 2326 CD ARG A 149 -5.960 13.291 8.374 1.00 0.93 C ATOM 2327 NE ARG A 149 -4.600 13.312 8.914 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.503 13.395 8.166 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.590 13.467 6.838 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -2.310 13.407 8.754 1.00 1.39 N ATOM 0 H ARG A 149 -9.817 10.086 6.010 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.727 9.919 6.760 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -8.224 12.438 7.030 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -8.358 12.114 8.747 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -6.030 11.167 8.706 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -5.908 11.623 7.018 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -6.019 13.955 7.511 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -6.654 13.676 9.121 1.00 0.93 H new ATOM 0 HE ARG A 149 -4.486 13.260 9.926 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.504 13.459 6.386 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.742 13.530 6.274 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -2.242 13.353 9.770 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.463 13.470 8.189 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.934 8.310 8.684 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.974 7.373 9.792 1.00 0.42 C ATOM 2346 C GLN A 150 -8.076 6.175 9.527 1.00 0.42 C ATOM 2347 O GLN A 150 -8.241 5.478 8.526 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.411 6.904 10.023 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.523 5.723 10.972 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.945 5.224 11.142 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.904 5.992 11.071 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -12.089 3.929 11.371 1.00 0.87 N ATOM 0 H GLN A 150 -9.418 7.987 7.846 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.609 7.882 10.684 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -10.995 7.734 10.420 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.853 6.632 9.065 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.901 4.908 10.602 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.127 6.009 11.946 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -11.268 3.326 11.423 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -13.021 3.534 11.496 1.00 0.87 H new ATOM 2361 N GLY A 151 -7.104 5.973 10.412 1.00 0.42 N ATOM 2362 CA GLY A 151 -6.197 4.844 10.301 1.00 0.51 C ATOM 2363 C GLY A 151 -5.148 5.007 9.216 1.00 0.45 C ATOM 2364 O GLY A 151 -4.294 4.136 9.042 1.00 0.42 O ATOM 0 H GLY A 151 -6.927 6.579 11.213 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.697 4.696 11.258 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.776 3.942 10.101 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.195 6.123 8.494 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.249 6.375 7.414 1.00 0.50 C ATOM 2370 C VAL A 152 -2.819 6.393 7.942 1.00 0.39 C ATOM 2371 O VAL A 152 -1.911 5.820 7.329 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.547 7.706 6.692 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.641 7.874 5.481 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -6.010 7.776 6.279 1.00 0.67 C ATOM 0 H VAL A 152 -5.878 6.866 8.638 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.360 5.562 6.696 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.347 8.523 7.385 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.867 8.818 4.986 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.600 7.873 5.803 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.807 7.051 4.786 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.200 8.722 5.772 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.238 6.950 5.605 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.642 7.706 7.164 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.636 7.030 9.089 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.324 7.126 9.717 1.00 0.38 C ATOM 2386 C ASP A 153 -0.854 5.751 10.164 1.00 0.32 C ATOM 2387 O ASP A 153 0.253 5.326 9.838 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.367 8.059 10.932 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.640 9.506 10.576 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -0.763 10.361 10.826 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -2.744 9.800 10.062 1.00 1.24 O ATOM 0 H ASP A 153 -3.384 7.491 9.607 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.630 7.531 8.981 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -2.138 7.711 11.620 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -0.416 7.997 11.461 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.723 5.056 10.893 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.414 3.726 11.419 1.00 0.32 C ATOM 2398 C ASP A 154 -0.964 2.772 10.320 1.00 0.31 C ATOM 2399 O ASP A 154 0.031 2.069 10.477 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.631 3.140 12.138 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.578 3.363 13.633 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.356 4.204 14.140 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -1.757 2.703 14.309 1.00 1.00 O ATOM 0 H ASP A 154 -2.654 5.394 11.135 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.592 3.842 12.125 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.539 3.592 11.738 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.690 2.071 11.934 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.685 2.764 9.208 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.365 1.882 8.089 1.00 0.32 C ATOM 2410 C ALA A 155 0.056 2.123 7.583 1.00 0.29 C ATOM 2411 O ALA A 155 0.831 1.181 7.415 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.372 2.066 6.966 1.00 0.37 C ATOM 0 H ALA A 155 -2.499 3.360 9.054 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.421 0.853 8.443 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -2.120 1.402 6.139 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.371 1.828 7.331 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.348 3.100 6.621 1.00 0.37 H new ATOM 2418 N PHE A 156 0.403 3.393 7.374 1.00 0.28 N ATOM 2419 CA PHE A 156 1.734 3.756 6.887 1.00 0.30 C ATOM 2420 C PHE A 156 2.811 3.433 7.925 1.00 0.29 C ATOM 2421 O PHE A 156 3.865 2.893 7.590 1.00 0.33 O ATOM 2422 CB PHE A 156 1.790 5.246 6.525 1.00 0.36 C ATOM 2423 CG PHE A 156 1.312 5.546 5.128 1.00 0.55 C ATOM 2424 CD1 PHE A 156 2.005 5.071 4.028 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.173 6.301 4.920 1.00 0.92 C ATOM 2426 CE1 PHE A 156 1.569 5.346 2.742 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.268 6.581 3.640 1.00 1.05 C ATOM 2428 CZ PHE A 156 0.430 6.103 2.549 1.00 1.11 C ATOM 0 H PHE A 156 -0.218 4.186 7.534 1.00 0.28 H new ATOM 0 HA PHE A 156 1.930 3.165 5.992 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.183 5.807 7.236 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.816 5.599 6.633 1.00 0.36 H new ATOM 0 HD1 PHE A 156 2.896 4.479 4.174 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.380 6.677 5.768 1.00 0.92 H new ATOM 0 HE1 PHE A 156 2.119 4.969 1.892 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.159 7.174 3.494 1.00 1.05 H new ATOM 0 HZ PHE A 156 0.087 6.320 1.548 1.00 1.11 H new ATOM 2438 N TYR A 157 2.540 3.767 9.183 1.00 0.29 N ATOM 2439 CA TYR A 157 3.480 3.514 10.272 1.00 0.34 C ATOM 2440 C TYR A 157 3.718 2.019 10.472 1.00 0.32 C ATOM 2441 O TYR A 157 4.855 1.586 10.670 1.00 0.35 O ATOM 2442 CB TYR A 157 2.972 4.137 11.574 1.00 0.43 C ATOM 2443 CG TYR A 157 3.106 5.644 11.628 1.00 0.47 C ATOM 2444 CD1 TYR A 157 4.278 6.279 11.229 1.00 0.86 C ATOM 2445 CD2 TYR A 157 2.057 6.433 12.088 1.00 0.88 C ATOM 2446 CE1 TYR A 157 4.397 7.655 11.285 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.171 7.806 12.144 1.00 0.98 C ATOM 2448 CZ TYR A 157 3.340 8.410 11.743 1.00 0.79 C ATOM 2449 OH TYR A 157 3.452 9.778 11.803 1.00 0.99 O ATOM 0 H TYR A 157 1.672 4.216 9.475 1.00 0.29 H new ATOM 0 HA TYR A 157 4.429 3.976 9.998 1.00 0.34 H new ATOM 0 HB2 TYR A 157 1.924 3.871 11.708 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.520 3.703 12.410 1.00 0.43 H new ATOM 0 HD1 TYR A 157 5.107 5.688 10.870 1.00 0.86 H new ATOM 0 HD2 TYR A 157 1.138 5.963 12.406 1.00 0.88 H new ATOM 0 HE1 TYR A 157 5.312 8.135 10.972 1.00 0.98 H new ATOM 0 HE2 TYR A 157 1.346 8.405 12.501 1.00 0.98 H new ATOM 0 HH TYR A 157 2.618 10.160 12.147 1.00 0.99 H new ATOM 2459 N THR A 158 2.651 1.232 10.411 1.00 0.29 N ATOM 2460 CA THR A 158 2.760 -0.208 10.585 1.00 0.28 C ATOM 2461 C THR A 158 3.640 -0.816 9.493 1.00 0.25 C ATOM 2462 O THR A 158 4.446 -1.703 9.767 1.00 0.29 O ATOM 2463 CB THR A 158 1.373 -0.886 10.589 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.534 -0.260 11.572 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.491 -2.375 10.892 1.00 0.34 C ATOM 0 H THR A 158 1.703 1.567 10.243 1.00 0.29 H new ATOM 0 HA THR A 158 3.224 -0.387 11.555 1.00 0.28 H new ATOM 0 HB THR A 158 0.933 -0.771 9.599 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.139 0.554 11.195 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.499 -2.827 10.888 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.110 -2.853 10.133 1.00 0.34 H new ATOM 0 HG23 THR A 158 1.948 -2.512 11.872 1.00 0.34 H new ATOM 2473 N LEU A 159 3.521 -0.298 8.270 1.00 0.23 N ATOM 2474 CA LEU A 159 4.321 -0.796 7.154 1.00 0.23 C ATOM 2475 C LEU A 159 5.802 -0.556 7.429 1.00 0.22 C ATOM 2476 O LEU A 159 6.639 -1.417 7.173 1.00 0.21 O ATOM 2477 CB LEU A 159 3.902 -0.123 5.842 1.00 0.25 C ATOM 2478 CG LEU A 159 4.654 -0.596 4.589 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.512 -2.098 4.408 1.00 0.40 C ATOM 2480 CD2 LEU A 159 4.144 0.132 3.359 1.00 0.42 C ATOM 0 H LEU A 159 2.883 0.461 8.029 1.00 0.23 H new ATOM 0 HA LEU A 159 4.150 -1.868 7.053 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.836 -0.293 5.691 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.042 0.953 5.945 1.00 0.25 H new ATOM 0 HG LEU A 159 5.711 -0.365 4.720 1.00 0.28 H new ATOM 0 HD11 LEU A 159 5.053 -2.410 3.514 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.923 -2.610 5.278 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.458 -2.354 4.302 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.687 -0.215 2.480 1.00 0.42 H new ATOM 0 HD22 LEU A 159 3.080 -0.070 3.232 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.298 1.204 3.481 1.00 0.42 H new ATOM 2492 N VAL A 160 6.112 0.610 7.985 1.00 0.26 N ATOM 2493 CA VAL A 160 7.489 0.959 8.322 1.00 0.29 C ATOM 2494 C VAL A 160 8.058 -0.052 9.319 1.00 0.27 C ATOM 2495 O VAL A 160 9.203 -0.496 9.190 1.00 0.28 O ATOM 2496 CB VAL A 160 7.590 2.386 8.912 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.006 2.686 9.392 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.147 3.421 7.888 1.00 0.34 C ATOM 0 H VAL A 160 5.428 1.331 8.213 1.00 0.26 H new ATOM 0 HA VAL A 160 8.070 0.934 7.400 1.00 0.29 H new ATOM 0 HB VAL A 160 6.924 2.439 9.773 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.045 3.696 9.801 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.288 1.970 10.164 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.699 2.607 8.554 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.225 4.418 8.321 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.785 3.357 7.007 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.113 3.230 7.601 1.00 0.34 H new ATOM 2508 N ARG A 161 7.240 -0.437 10.294 1.00 0.26 N ATOM 2509 CA ARG A 161 7.652 -1.405 11.302 1.00 0.28 C ATOM 2510 C ARG A 161 7.842 -2.783 10.671 1.00 0.23 C ATOM 2511 O ARG A 161 8.761 -3.520 11.033 1.00 0.23 O ATOM 2512 CB ARG A 161 6.618 -1.488 12.424 1.00 0.37 C ATOM 2513 CG ARG A 161 6.887 -0.541 13.586 1.00 0.51 C ATOM 2514 CD ARG A 161 6.468 0.883 13.256 1.00 0.61 C ATOM 2515 NE ARG A 161 6.648 1.799 14.384 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.700 2.091 15.284 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.493 1.543 15.192 1.00 0.82 N ATOM 2518 NH2 ARG A 161 5.963 2.950 16.264 1.00 0.90 N ATOM 0 H ARG A 161 6.287 -0.092 10.406 1.00 0.26 H new ATOM 0 HA ARG A 161 8.601 -1.073 11.723 1.00 0.28 H new ATOM 0 HB2 ARG A 161 5.632 -1.271 12.012 1.00 0.37 H new ATOM 0 HB3 ARG A 161 6.588 -2.510 12.801 1.00 0.37 H new ATOM 0 HG2 ARG A 161 6.347 -0.884 14.468 1.00 0.51 H new ATOM 0 HG3 ARG A 161 7.948 -0.560 13.834 1.00 0.51 H new ATOM 0 HD2 ARG A 161 7.049 1.241 12.406 1.00 0.61 H new ATOM 0 HD3 ARG A 161 5.421 0.889 12.952 1.00 0.61 H new ATOM 0 HE ARG A 161 7.559 2.246 14.492 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.284 0.895 14.432 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.776 1.770 15.881 1.00 0.82 H new ATOM 0 HH21 ARG A 161 6.884 3.384 16.328 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.244 3.175 16.951 1.00 0.90 H new ATOM 2532 N GLU A 162 6.963 -3.118 9.728 1.00 0.22 N ATOM 2533 CA GLU A 162 7.026 -4.398 9.024 1.00 0.22 C ATOM 2534 C GLU A 162 8.350 -4.544 8.283 1.00 0.21 C ATOM 2535 O GLU A 162 8.983 -5.603 8.322 1.00 0.25 O ATOM 2536 CB GLU A 162 5.864 -4.533 8.035 1.00 0.25 C ATOM 2537 CG GLU A 162 4.508 -4.676 8.707 1.00 0.31 C ATOM 2538 CD GLU A 162 4.493 -5.753 9.770 1.00 0.52 C ATOM 2539 OE1 GLU A 162 4.778 -6.922 9.445 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.211 -5.436 10.944 1.00 0.68 O ATOM 0 H GLU A 162 6.194 -2.517 9.432 1.00 0.22 H new ATOM 0 HA GLU A 162 6.949 -5.190 9.769 1.00 0.22 H new ATOM 0 HB2 GLU A 162 5.848 -3.658 7.385 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.038 -5.400 7.398 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.228 -3.723 9.157 1.00 0.31 H new ATOM 0 HG3 GLU A 162 3.756 -4.906 7.952 1.00 0.31 H new ATOM 2547 N ILE A 163 8.766 -3.473 7.623 1.00 0.20 N ATOM 2548 CA ILE A 163 10.015 -3.471 6.872 1.00 0.23 C ATOM 2549 C ILE A 163 11.211 -3.577 7.812 1.00 0.22 C ATOM 2550 O ILE A 163 12.122 -4.372 7.581 1.00 0.22 O ATOM 2551 CB ILE A 163 10.161 -2.193 6.019 1.00 0.29 C ATOM 2552 CG1 ILE A 163 8.917 -1.965 5.160 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.393 -2.286 5.132 1.00 0.42 C ATOM 2554 CD1 ILE A 163 8.789 -0.545 4.651 1.00 0.31 C ATOM 0 H ILE A 163 8.255 -2.591 7.592 1.00 0.20 H new ATOM 0 HA ILE A 163 9.990 -4.337 6.210 1.00 0.23 H new ATOM 0 HB ILE A 163 10.273 -1.347 6.697 1.00 0.29 H new ATOM 0 HG12 ILE A 163 8.942 -2.647 4.310 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.031 -2.215 5.744 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.482 -1.377 4.537 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.281 -2.401 5.754 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.300 -3.146 4.469 1.00 0.42 H new ATOM 0 HD11 ILE A 163 7.885 -0.454 4.049 1.00 0.31 H new ATOM 0 HD12 ILE A 163 8.733 0.141 5.496 1.00 0.31 H new ATOM 0 HD13 ILE A 163 9.657 -0.298 4.040 1.00 0.31 H new ATOM 2566 N ARG A 164 11.190 -2.782 8.881 1.00 0.22 N ATOM 2567 CA ARG A 164 12.276 -2.779 9.862 1.00 0.23 C ATOM 2568 C ARG A 164 12.499 -4.169 10.452 1.00 0.23 C ATOM 2569 O ARG A 164 13.642 -4.604 10.604 1.00 0.25 O ATOM 2570 CB ARG A 164 11.997 -1.771 10.980 1.00 0.26 C ATOM 2571 CG ARG A 164 12.370 -0.349 10.605 1.00 0.33 C ATOM 2572 CD ARG A 164 12.101 0.613 11.747 1.00 0.42 C ATOM 2573 NE ARG A 164 12.469 1.989 11.405 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.938 3.067 11.983 1.00 0.66 C ATOM 2575 NH1 ARG A 164 11.016 2.918 12.927 1.00 0.69 N ATOM 2576 NH2 ARG A 164 12.334 4.290 11.626 1.00 0.87 N ATOM 0 H ARG A 164 10.433 -2.131 9.090 1.00 0.22 H new ATOM 0 HA ARG A 164 13.186 -2.482 9.340 1.00 0.23 H new ATOM 0 HB2 ARG A 164 10.939 -1.807 11.238 1.00 0.26 H new ATOM 0 HB3 ARG A 164 12.552 -2.063 11.871 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.425 -0.308 10.333 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.802 -0.042 9.727 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.044 0.576 12.011 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.661 0.296 12.627 1.00 0.42 H new ATOM 0 HE ARG A 164 13.174 2.131 10.681 1.00 0.55 H new ATOM 0 HH11 ARG A 164 10.718 1.983 13.206 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.606 3.738 13.373 1.00 0.69 H new ATOM 0 HH21 ARG A 164 13.048 4.405 10.906 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.923 5.110 12.073 1.00 0.87 H new ATOM 2590 N LYS A 165 11.407 -4.868 10.763 1.00 0.27 N ATOM 2591 CA LYS A 165 11.481 -6.217 11.327 1.00 0.32 C ATOM 2592 C LYS A 165 12.210 -7.164 10.381 1.00 0.31 C ATOM 2593 O LYS A 165 12.930 -8.057 10.817 1.00 0.33 O ATOM 2594 CB LYS A 165 10.080 -6.757 11.614 1.00 0.43 C ATOM 2595 CG LYS A 165 9.496 -6.277 12.938 1.00 0.87 C ATOM 2596 CD LYS A 165 8.124 -6.882 13.195 1.00 0.97 C ATOM 2597 CE LYS A 165 7.102 -6.383 12.193 1.00 0.74 C ATOM 2598 NZ LYS A 165 5.794 -7.067 12.340 1.00 0.80 N ATOM 0 H LYS A 165 10.457 -4.521 10.633 1.00 0.27 H new ATOM 0 HA LYS A 165 12.039 -6.156 12.261 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.413 -6.460 10.804 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.114 -7.846 11.616 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.170 -6.543 13.752 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.420 -5.190 12.930 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.188 -7.969 13.141 1.00 0.97 H new ATOM 0 HD3 LYS A 165 7.798 -6.632 14.205 1.00 0.97 H new ATOM 0 HE2 LYS A 165 6.965 -5.309 12.320 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.480 -6.539 11.183 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.027 -6.401 12.117 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.750 -7.876 11.688 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 5.687 -7.404 13.318 1.00 0.80 H new ATOM 2612 N HIS A 166 12.026 -6.959 9.084 1.00 0.31 N ATOM 2613 CA HIS A 166 12.677 -7.793 8.084 1.00 0.32 C ATOM 2614 C HIS A 166 14.128 -7.351 7.891 1.00 0.29 C ATOM 2615 O HIS A 166 15.000 -8.163 7.598 1.00 0.34 O ATOM 2616 CB HIS A 166 11.911 -7.724 6.753 1.00 0.37 C ATOM 2617 CG HIS A 166 12.589 -8.419 5.607 1.00 0.46 C ATOM 2618 ND1 HIS A 166 12.493 -9.777 5.374 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.368 -7.927 4.615 1.00 0.54 C ATOM 2620 CE1 HIS A 166 13.184 -10.084 4.292 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.722 -8.983 3.817 1.00 0.67 N ATOM 0 H HIS A 166 11.432 -6.224 8.700 1.00 0.31 H new ATOM 0 HA HIS A 166 12.673 -8.826 8.432 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.923 -8.162 6.894 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.761 -6.677 6.489 1.00 0.37 H new ATOM 0 HD1 HIS A 166 11.970 -10.439 5.948 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.656 -6.895 4.478 1.00 0.54 H new ATOM 0 HE1 HIS A 166 13.289 -11.072 3.869 1.00 0.71 H new ATOM 2630 N LYS A 167 14.375 -6.063 8.079 1.00 0.27 N ATOM 2631 CA LYS A 167 15.715 -5.506 7.913 1.00 0.30 C ATOM 2632 C LYS A 167 16.673 -6.006 8.988 1.00 0.29 C ATOM 2633 O LYS A 167 17.863 -6.183 8.729 1.00 0.40 O ATOM 2634 CB LYS A 167 15.670 -3.977 7.929 1.00 0.37 C ATOM 2635 CG LYS A 167 15.045 -3.383 6.682 1.00 0.45 C ATOM 2636 CD LYS A 167 15.043 -1.868 6.729 1.00 0.62 C ATOM 2637 CE LYS A 167 14.961 -1.272 5.336 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.222 -1.455 4.576 1.00 0.97 N ATOM 0 H LYS A 167 13.666 -5.381 8.347 1.00 0.27 H new ATOM 0 HA LYS A 167 16.086 -5.844 6.946 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.108 -3.646 8.802 1.00 0.37 H new ATOM 0 HB3 LYS A 167 16.684 -3.592 8.038 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.594 -3.720 5.803 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.023 -3.746 6.578 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.199 -1.522 7.325 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.948 -1.516 7.224 1.00 0.62 H new ATOM 0 HE2 LYS A 167 14.139 -1.736 4.791 1.00 1.11 H new ATOM 0 HE3 LYS A 167 14.734 -0.209 5.410 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 16.005 -1.822 3.627 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.711 -0.541 4.490 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.834 -2.130 5.077 1.00 0.97 H new ATOM 2652 N GLU A 168 16.158 -6.228 10.188 1.00 0.26 N ATOM 2653 CA GLU A 168 16.975 -6.709 11.295 1.00 0.29 C ATOM 2654 C GLU A 168 16.739 -8.198 11.529 1.00 0.33 C ATOM 2655 O GLU A 168 17.078 -8.742 12.587 1.00 0.47 O ATOM 2656 CB GLU A 168 16.667 -5.910 12.560 1.00 0.35 C ATOM 2657 CG GLU A 168 15.208 -5.971 12.989 1.00 0.42 C ATOM 2658 CD GLU A 168 14.921 -5.099 14.191 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.917 -5.629 15.325 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.687 -3.884 14.007 1.00 1.12 O ATOM 0 H GLU A 168 15.176 -6.083 10.422 1.00 0.26 H new ATOM 0 HA GLU A 168 18.026 -6.568 11.041 1.00 0.29 H new ATOM 0 HB2 GLU A 168 17.290 -6.282 13.373 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.944 -4.869 12.396 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.575 -5.659 12.158 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.944 -7.003 13.221 1.00 0.42 H new ATOM 2667 N LYS A 169 16.169 -8.849 10.528 1.00 0.34 N ATOM 2668 CA LYS A 169 15.872 -10.273 10.598 1.00 0.41 C ATOM 2669 C LYS A 169 17.061 -11.085 10.090 1.00 0.59 C ATOM 2670 O LYS A 169 17.067 -11.450 8.894 1.00 0.72 O ATOM 2671 CB LYS A 169 14.618 -10.591 9.773 1.00 0.43 C ATOM 2672 CG LYS A 169 13.683 -11.597 10.424 1.00 0.69 C ATOM 2673 CD LYS A 169 12.322 -11.597 9.744 1.00 0.81 C ATOM 2674 CE LYS A 169 11.346 -12.524 10.446 1.00 1.07 C ATOM 2675 NZ LYS A 169 10.968 -12.015 11.790 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.996 -11.332 10.881 1.00 0.82 O ATOM 0 H LYS A 169 15.900 -8.409 9.648 1.00 0.34 H new ATOM 0 HA LYS A 169 15.685 -10.543 11.637 1.00 0.41 H new ATOM 0 HB2 LYS A 169 14.070 -9.666 9.594 1.00 0.43 H new ATOM 0 HB3 LYS A 169 14.925 -10.974 8.799 1.00 0.43 H new ATOM 0 HG2 LYS A 169 14.121 -12.594 10.369 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.565 -11.358 11.481 1.00 0.69 H new ATOM 0 HD2 LYS A 169 11.920 -10.584 9.734 1.00 0.81 H new ATOM 0 HD3 LYS A 169 12.434 -11.905 8.705 1.00 0.81 H new ATOM 0 HE2 LYS A 169 10.450 -12.638 9.836 1.00 1.07 H new ATOM 0 HE3 LYS A 169 11.792 -13.514 10.545 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.157 -12.557 12.151 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 11.773 -12.121 12.440 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 10.709 -11.010 11.720 1.00 1.47 H new