USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1032 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 35 ASN : amide:sc= -3.25 K(o=-6.3,f=-9.6!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -3.05! C(o=-6.3!,f=-11!) USER MOD Set 2.1: A 33 TYR OH : rot -91:sc= 0.436 USER MOD Set 2.2: A 61 SER OG : rot 15:sc= 1.4 USER MOD Set 2.3: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 1.08 USER MOD Single : A 6 SER OG : rot 21:sc= 0.772 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0177) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -153:sc= -5.12! (180deg=-7.27!) USER MOD Single : A 15 THR OG1 : rot -18:sc= 0.699 USER MOD Single : A 19 HIS : no HE2:sc= -3.95! C(o=-3.9!,f=-8.1!) USER MOD Single : A 20 ASN : amide:sc= -2.95! K(o=-3!,f=-2.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -175:sc= -0.0577 (180deg=-0.205) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0.111 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -9:sc= -0.0138 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.858) USER MOD Single : A 63 SER OG : rot 75:sc= 0.41 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 69 GLN : amide:sc= 0.156 K(o=0.16,f=-1.5) USER MOD Single : A 70 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.033) USER MOD Single : A 76 GLN : amide:sc= 0.252 K(o=0.25,f=-0.61) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.0383 X(o=0.038,f=-0.21) USER MOD Single : A 80 ASN : amide:sc= -1.26 K(o=-1.3,f=-9.3!) USER MOD Single : A 83 CYS SG : rot -143:sc= -0.233 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -48:sc= 0.757 USER MOD Single : A 96 SER OG : rot 178:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.23) USER MOD Single : A 106 LYS NZ :NH3+ -103:sc= -0.584 (180deg=-2.32!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.2!) USER MOD Single : A 114 LYS NZ :NH3+ -104:sc= -0.634 (180deg=-3.38!) USER MOD Single : A 115 TYR OH : rot 1:sc= 0.226 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -114:sc= 1.12 (180deg=-0.493!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.062 -26.451 -5.227 1.00 0.00 N ATOM 2 CA GLY A 1 5.746 -27.157 -4.159 1.00 0.00 C ATOM 3 C GLY A 1 5.553 -26.494 -2.810 1.00 0.00 C ATOM 4 O GLY A 1 6.457 -25.833 -2.300 1.00 0.00 O ATOM 0 H1 GLY A 1 5.225 -26.943 -6.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.042 -26.423 -5.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.429 -25.480 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.379 -28.182 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.811 -27.209 -4.386 1.00 0.00 H new ATOM 8 N SER A 2 4.370 -26.670 -2.229 1.00 0.00 N ATOM 9 CA SER A 2 4.059 -26.080 -0.933 1.00 0.00 C ATOM 10 C SER A 2 3.286 -27.063 -0.059 1.00 0.00 C ATOM 11 O SER A 2 2.615 -27.963 -0.564 1.00 0.00 O ATOM 12 CB SER A 2 3.249 -24.795 -1.115 1.00 0.00 C ATOM 13 OG SER A 2 2.739 -24.333 0.124 1.00 0.00 O ATOM 0 H SER A 2 3.611 -27.217 -2.636 1.00 0.00 H new ATOM 0 HA SER A 2 4.999 -25.841 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.878 -24.025 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.426 -24.975 -1.806 1.00 0.00 H new ATOM 0 HG SER A 2 2.227 -23.510 -0.020 1.00 0.00 H new ATOM 19 N SER A 3 3.385 -26.883 1.254 1.00 0.00 N ATOM 20 CA SER A 3 2.698 -27.755 2.199 1.00 0.00 C ATOM 21 C SER A 3 1.469 -27.065 2.781 1.00 0.00 C ATOM 22 O SER A 3 1.239 -25.879 2.547 1.00 0.00 O ATOM 23 CB SER A 3 3.647 -28.168 3.326 1.00 0.00 C ATOM 24 OG SER A 3 4.763 -28.879 2.819 1.00 0.00 O ATOM 0 H SER A 3 3.934 -26.141 1.688 1.00 0.00 H new ATOM 0 HA SER A 3 2.372 -28.646 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.989 -27.282 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.113 -28.788 4.046 1.00 0.00 H new ATOM 0 HG SER A 3 5.355 -29.130 3.559 1.00 0.00 H new ATOM 30 N GLY A 4 0.680 -27.818 3.542 1.00 0.00 N ATOM 31 CA GLY A 4 -0.517 -27.262 4.146 1.00 0.00 C ATOM 32 C GLY A 4 -0.235 -26.003 4.941 1.00 0.00 C ATOM 33 O GLY A 4 -0.666 -24.913 4.564 1.00 0.00 O ATOM 0 H GLY A 4 0.848 -28.802 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.244 -27.039 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.970 -28.007 4.800 1.00 0.00 H new ATOM 37 N SER A 5 0.490 -26.152 6.046 1.00 0.00 N ATOM 38 CA SER A 5 0.824 -25.018 6.899 1.00 0.00 C ATOM 39 C SER A 5 2.106 -24.340 6.424 1.00 0.00 C ATOM 40 O SER A 5 3.210 -24.766 6.764 1.00 0.00 O ATOM 41 CB SER A 5 0.984 -25.474 8.350 1.00 0.00 C ATOM 42 OG SER A 5 2.064 -26.381 8.484 1.00 0.00 O ATOM 0 H SER A 5 0.857 -27.047 6.371 1.00 0.00 H new ATOM 0 HA SER A 5 0.008 -24.298 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.151 -24.608 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.063 -25.948 8.689 1.00 0.00 H new ATOM 0 HG SER A 5 2.795 -26.110 7.890 1.00 0.00 H new ATOM 48 N SER A 6 1.950 -23.282 5.634 1.00 0.00 N ATOM 49 CA SER A 6 3.094 -22.546 5.108 1.00 0.00 C ATOM 50 C SER A 6 2.690 -21.132 4.702 1.00 0.00 C ATOM 51 O SER A 6 1.624 -20.920 4.126 1.00 0.00 O ATOM 52 CB SER A 6 3.692 -23.282 3.908 1.00 0.00 C ATOM 53 OG SER A 6 4.557 -24.323 4.328 1.00 0.00 O ATOM 0 H SER A 6 1.043 -22.916 5.344 1.00 0.00 H new ATOM 0 HA SER A 6 3.845 -22.479 5.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.891 -23.695 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.241 -22.578 3.283 1.00 0.00 H new ATOM 0 HG SER A 6 4.340 -24.577 5.249 1.00 0.00 H new ATOM 59 N GLY A 7 3.551 -20.166 5.008 1.00 0.00 N ATOM 60 CA GLY A 7 3.267 -18.784 4.668 1.00 0.00 C ATOM 61 C GLY A 7 2.524 -18.057 5.771 1.00 0.00 C ATOM 62 O GLY A 7 2.994 -17.039 6.281 1.00 0.00 O ATOM 0 H GLY A 7 4.440 -20.316 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.202 -18.264 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.675 -18.752 3.753 1.00 0.00 H new ATOM 66 N LEU A 8 1.359 -18.578 6.140 1.00 0.00 N ATOM 67 CA LEU A 8 0.547 -17.971 7.189 1.00 0.00 C ATOM 68 C LEU A 8 1.395 -17.643 8.413 1.00 0.00 C ATOM 69 O LEU A 8 1.312 -16.545 8.964 1.00 0.00 O ATOM 70 CB LEU A 8 -0.597 -18.907 7.582 1.00 0.00 C ATOM 71 CG LEU A 8 -1.831 -18.875 6.680 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.698 -19.892 5.557 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.092 -19.136 7.492 1.00 0.00 C ATOM 0 H LEU A 8 0.955 -19.419 5.728 1.00 0.00 H new ATOM 0 HA LEU A 8 0.130 -17.042 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.214 -19.927 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.908 -18.662 8.598 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.907 -17.882 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.586 -19.855 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.817 -19.660 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.596 -20.891 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.961 -19.110 6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.024 -20.116 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.195 -18.370 8.260 1.00 0.00 H new ATOM 85 N LYS A 9 2.213 -18.602 8.833 1.00 0.00 N ATOM 86 CA LYS A 9 3.081 -18.416 9.990 1.00 0.00 C ATOM 87 C LYS A 9 3.779 -17.061 9.935 1.00 0.00 C ATOM 88 O LYS A 9 3.790 -16.317 10.915 1.00 0.00 O ATOM 89 CB LYS A 9 4.122 -19.535 10.059 1.00 0.00 C ATOM 90 CG LYS A 9 4.984 -19.489 11.308 1.00 0.00 C ATOM 91 CD LYS A 9 6.231 -18.648 11.094 1.00 0.00 C ATOM 92 CE LYS A 9 7.372 -19.478 10.526 1.00 0.00 C ATOM 93 NZ LYS A 9 8.296 -18.656 9.697 1.00 0.00 N ATOM 0 H LYS A 9 2.293 -19.517 8.389 1.00 0.00 H new ATOM 0 HA LYS A 9 2.461 -18.450 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.612 -20.497 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.766 -19.475 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.405 -19.079 12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.271 -20.502 11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.005 -17.826 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.539 -18.204 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.928 -19.938 11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.965 -20.289 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.153 -19.206 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.824 -18.392 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.558 -17.796 10.219 1.00 0.00 H new ATOM 107 N MET A 10 4.359 -16.746 8.781 1.00 0.00 N ATOM 108 CA MET A 10 5.056 -15.478 8.598 1.00 0.00 C ATOM 109 C MET A 10 4.130 -14.301 8.888 1.00 0.00 C ATOM 110 O MET A 10 4.558 -13.280 9.428 1.00 0.00 O ATOM 111 CB MET A 10 5.603 -15.374 7.173 1.00 0.00 C ATOM 112 CG MET A 10 6.859 -16.197 6.942 1.00 0.00 C ATOM 113 SD MET A 10 8.332 -15.428 7.643 1.00 0.00 S ATOM 114 CE MET A 10 9.312 -15.164 6.168 1.00 0.00 C ATOM 0 H MET A 10 4.360 -17.351 7.960 1.00 0.00 H new ATOM 0 HA MET A 10 5.887 -15.444 9.302 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.833 -15.697 6.473 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.818 -14.329 6.951 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.726 -17.186 7.381 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.003 -16.340 5.871 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.257 -14.693 6.439 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.508 -16.121 5.685 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.768 -14.516 5.481 1.00 0.00 H new ATOM 124 N LEU A 11 2.861 -14.450 8.525 1.00 0.00 N ATOM 125 CA LEU A 11 1.874 -13.399 8.746 1.00 0.00 C ATOM 126 C LEU A 11 2.102 -12.711 10.089 1.00 0.00 C ATOM 127 O LEU A 11 2.440 -11.528 10.142 1.00 0.00 O ATOM 128 CB LEU A 11 0.460 -13.980 8.692 1.00 0.00 C ATOM 129 CG LEU A 11 -0.660 -12.990 8.370 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.935 -12.088 9.564 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.304 -12.162 7.144 1.00 0.00 C ATOM 0 H LEU A 11 2.491 -15.288 8.076 1.00 0.00 H new ATOM 0 HA LEU A 11 1.986 -12.658 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.443 -14.773 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.242 -14.444 9.654 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.566 -13.555 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.735 -11.390 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.235 -12.696 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.032 -11.531 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.112 -11.463 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.615 -11.607 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.159 -12.822 6.289 1.00 0.00 H new ATOM 143 N ARG A 12 1.919 -13.460 11.171 1.00 0.00 N ATOM 144 CA ARG A 12 2.106 -12.923 12.513 1.00 0.00 C ATOM 145 C ARG A 12 3.343 -12.032 12.574 1.00 0.00 C ATOM 146 O ARG A 12 3.344 -11.000 13.245 1.00 0.00 O ATOM 147 CB ARG A 12 2.232 -14.061 13.528 1.00 0.00 C ATOM 148 CG ARG A 12 1.021 -14.978 13.569 1.00 0.00 C ATOM 149 CD ARG A 12 1.094 -15.945 14.740 1.00 0.00 C ATOM 150 NE ARG A 12 2.189 -16.899 14.594 1.00 0.00 N ATOM 151 CZ ARG A 12 2.505 -17.802 15.517 1.00 0.00 C ATOM 152 NH1 ARG A 12 1.813 -17.872 16.645 1.00 0.00 N ATOM 153 NH2 ARG A 12 3.516 -18.636 15.311 1.00 0.00 N ATOM 0 H ARG A 12 1.641 -14.441 11.144 1.00 0.00 H new ATOM 0 HA ARG A 12 1.233 -12.320 12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.117 -14.652 13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.389 -13.636 14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.113 -14.380 13.646 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.956 -15.538 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.223 -15.384 15.666 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.151 -16.485 14.823 1.00 0.00 H new ATOM 0 HE ARG A 12 2.742 -16.871 13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.035 -17.232 16.807 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.058 -18.566 17.351 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.051 -18.584 14.444 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.758 -19.329 16.019 1.00 0.00 H new ATOM 167 N ASP A 13 4.394 -12.439 11.871 1.00 0.00 N ATOM 168 CA ASP A 13 5.637 -11.678 11.845 1.00 0.00 C ATOM 169 C ASP A 13 5.395 -10.258 11.343 1.00 0.00 C ATOM 170 O ASP A 13 5.875 -9.290 11.934 1.00 0.00 O ATOM 171 CB ASP A 13 6.669 -12.376 10.958 1.00 0.00 C ATOM 172 CG ASP A 13 8.079 -11.876 11.205 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.651 -12.214 12.263 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.610 -11.148 10.341 1.00 0.00 O ATOM 0 H ASP A 13 4.410 -13.292 11.312 1.00 0.00 H new ATOM 0 HA ASP A 13 6.022 -11.624 12.863 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.631 -13.450 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.409 -12.219 9.911 1.00 0.00 H new ATOM 179 N MET A 14 4.649 -10.141 10.250 1.00 0.00 N ATOM 180 CA MET A 14 4.343 -8.839 9.669 1.00 0.00 C ATOM 181 C MET A 14 3.523 -7.991 10.637 1.00 0.00 C ATOM 182 O MET A 14 3.924 -6.887 11.005 1.00 0.00 O ATOM 183 CB MET A 14 3.583 -9.009 8.352 1.00 0.00 C ATOM 184 CG MET A 14 4.461 -9.466 7.199 1.00 0.00 C ATOM 185 SD MET A 14 4.544 -11.262 7.058 1.00 0.00 S ATOM 186 CE MET A 14 3.469 -11.541 5.653 1.00 0.00 C ATOM 0 H MET A 14 4.245 -10.932 9.749 1.00 0.00 H new ATOM 0 HA MET A 14 5.285 -8.327 9.472 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.780 -9.732 8.496 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.114 -8.061 8.088 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.077 -9.050 6.268 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.467 -9.069 7.334 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.034 -12.538 5.720 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.673 -10.797 5.651 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.046 -11.458 4.732 1.00 0.00 H new ATOM 196 N THR A 15 2.371 -8.514 11.046 1.00 0.00 N ATOM 197 CA THR A 15 1.494 -7.805 11.969 1.00 0.00 C ATOM 198 C THR A 15 2.259 -7.331 13.199 1.00 0.00 C ATOM 199 O THR A 15 1.918 -6.314 13.800 1.00 0.00 O ATOM 200 CB THR A 15 0.318 -8.692 12.420 1.00 0.00 C ATOM 201 OG1 THR A 15 0.811 -9.848 13.105 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.523 -9.123 11.227 1.00 0.00 C ATOM 0 H THR A 15 2.024 -9.427 10.752 1.00 0.00 H new ATOM 0 HA THR A 15 1.102 -6.941 11.432 1.00 0.00 H new ATOM 0 HB THR A 15 -0.309 -8.110 13.096 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.761 -9.971 12.897 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.347 -9.748 11.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.921 -8.241 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.096 -9.689 10.531 1.00 0.00 H new ATOM 210 N GLY A 16 3.297 -8.077 13.569 1.00 0.00 N ATOM 211 CA GLY A 16 4.094 -7.716 14.726 1.00 0.00 C ATOM 212 C GLY A 16 4.750 -6.357 14.578 1.00 0.00 C ATOM 213 O GLY A 16 4.841 -5.595 15.541 1.00 0.00 O ATOM 0 H GLY A 16 3.599 -8.924 13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.461 -7.716 15.613 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.863 -8.472 14.883 1.00 0.00 H new ATOM 217 N LEU A 17 5.209 -6.052 13.369 1.00 0.00 N ATOM 218 CA LEU A 17 5.862 -4.776 13.098 1.00 0.00 C ATOM 219 C LEU A 17 5.067 -3.620 13.696 1.00 0.00 C ATOM 220 O LEU A 17 3.850 -3.695 13.869 1.00 0.00 O ATOM 221 CB LEU A 17 6.022 -4.574 11.590 1.00 0.00 C ATOM 222 CG LEU A 17 6.868 -5.617 10.859 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.567 -5.598 9.368 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.349 -5.373 11.109 1.00 0.00 C ATOM 0 H LEU A 17 5.141 -6.671 12.561 1.00 0.00 H new ATOM 0 HA LEU A 17 6.848 -4.793 13.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.030 -4.559 11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.465 -3.593 11.420 1.00 0.00 H new ATOM 0 HG LEU A 17 6.612 -6.602 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.178 -6.347 8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.513 -5.822 9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.794 -4.612 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.936 -6.125 10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.620 -4.381 10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.553 -5.438 12.178 1.00 0.00 H new ATOM 236 N PRO A 18 5.769 -2.523 14.018 1.00 0.00 N ATOM 237 CA PRO A 18 5.148 -1.329 14.599 1.00 0.00 C ATOM 238 C PRO A 18 4.265 -0.590 13.600 1.00 0.00 C ATOM 239 O PRO A 18 3.155 -0.170 13.928 1.00 0.00 O ATOM 240 CB PRO A 18 6.347 -0.464 14.995 1.00 0.00 C ATOM 241 CG PRO A 18 7.445 -0.898 14.086 1.00 0.00 C ATOM 242 CD PRO A 18 7.221 -2.364 13.839 1.00 0.00 C ATOM 0 HA PRO A 18 4.489 -1.576 15.431 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.128 0.597 14.872 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.616 -0.615 16.040 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.423 -0.337 13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.420 -0.723 14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.536 -2.655 12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.782 -2.980 14.542 1.00 0.00 H new ATOM 250 N HIS A 19 4.765 -0.434 12.378 1.00 0.00 N ATOM 251 CA HIS A 19 4.020 0.254 11.329 1.00 0.00 C ATOM 252 C HIS A 19 2.829 -0.582 10.870 1.00 0.00 C ATOM 253 O HIS A 19 2.063 -0.166 10.002 1.00 0.00 O ATOM 254 CB HIS A 19 4.933 0.559 10.141 1.00 0.00 C ATOM 255 CG HIS A 19 5.815 -0.588 9.755 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.979 -0.901 10.424 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.696 -1.501 8.762 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.540 -1.955 9.858 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.781 -2.339 8.848 1.00 0.00 N ATOM 0 H HIS A 19 5.682 -0.774 12.090 1.00 0.00 H new ATOM 0 HA HIS A 19 3.646 1.192 11.739 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.320 0.840 9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.556 1.420 10.383 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.349 -0.398 11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.897 -1.559 8.038 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.462 -2.423 10.169 1.00 0.00 H new ATOM 267 N ASN A 20 2.681 -1.765 11.459 1.00 0.00 N ATOM 268 CA ASN A 20 1.585 -2.661 11.109 1.00 0.00 C ATOM 269 C ASN A 20 0.771 -3.032 12.344 1.00 0.00 C ATOM 270 O ASN A 20 0.264 -4.149 12.453 1.00 0.00 O ATOM 271 CB ASN A 20 2.126 -3.926 10.441 1.00 0.00 C ATOM 272 CG ASN A 20 2.727 -3.648 9.077 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.246 -2.790 8.337 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.785 -4.376 8.737 1.00 0.00 N ATOM 0 H ASN A 20 3.306 -2.125 12.180 1.00 0.00 H new ATOM 0 HA ASN A 20 0.932 -2.140 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.882 -4.377 11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.320 -4.653 10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.232 -4.234 7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.151 -5.077 9.382 1.00 0.00 H new ATOM 281 N ARG A 21 0.649 -2.089 13.272 1.00 0.00 N ATOM 282 CA ARG A 21 -0.103 -2.317 14.500 1.00 0.00 C ATOM 283 C ARG A 21 -1.502 -1.716 14.400 1.00 0.00 C ATOM 284 O ARG A 21 -2.411 -2.105 15.135 1.00 0.00 O ATOM 285 CB ARG A 21 0.638 -1.716 15.696 1.00 0.00 C ATOM 286 CG ARG A 21 2.093 -2.146 15.790 1.00 0.00 C ATOM 287 CD ARG A 21 2.232 -3.494 16.480 1.00 0.00 C ATOM 288 NE ARG A 21 1.816 -3.437 17.879 1.00 0.00 N ATOM 289 CZ ARG A 21 2.034 -4.416 18.751 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.660 -5.520 18.369 1.00 0.00 N ATOM 291 NH2 ARG A 21 1.625 -4.290 20.007 1.00 0.00 N ATOM 0 H ARG A 21 1.062 -1.159 13.197 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.198 -3.393 14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.593 -0.629 15.632 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.123 -2.003 16.613 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.522 -2.202 14.790 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.661 -1.395 16.339 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.631 -4.235 15.953 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.269 -3.825 16.423 1.00 0.00 H new ATOM 0 HE ARG A 21 1.332 -2.600 18.204 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.976 -5.619 17.404 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.826 -6.270 19.040 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.143 -3.441 20.304 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.793 -5.042 20.676 1.00 0.00 H new ATOM 305 N LYS A 22 -1.668 -0.765 13.487 1.00 0.00 N ATOM 306 CA LYS A 22 -2.956 -0.110 13.290 1.00 0.00 C ATOM 307 C LYS A 22 -3.324 -0.068 11.810 1.00 0.00 C ATOM 308 O LYS A 22 -2.474 -0.270 10.943 1.00 0.00 O ATOM 309 CB LYS A 22 -2.921 1.311 13.858 1.00 0.00 C ATOM 310 CG LYS A 22 -2.708 1.360 15.361 1.00 0.00 C ATOM 311 CD LYS A 22 -2.770 2.784 15.886 1.00 0.00 C ATOM 312 CE LYS A 22 -2.984 2.814 17.392 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.695 2.755 18.137 1.00 0.00 N ATOM 0 H LYS A 22 -0.927 -0.431 12.872 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.714 -0.688 13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.123 1.870 13.368 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.857 1.813 13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.467 0.755 15.857 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.741 0.922 15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.845 3.305 15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.580 3.320 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.520 3.723 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.612 1.973 17.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.884 2.778 19.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.195 1.875 17.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.105 3.571 17.876 1.00 0.00 H new ATOM 327 N CYS A 23 -4.596 0.195 11.529 1.00 0.00 N ATOM 328 CA CYS A 23 -5.077 0.265 10.155 1.00 0.00 C ATOM 329 C CYS A 23 -4.278 1.286 9.349 1.00 0.00 C ATOM 330 O CYS A 23 -3.470 2.033 9.901 1.00 0.00 O ATOM 331 CB CYS A 23 -6.563 0.629 10.130 1.00 0.00 C ATOM 332 SG CYS A 23 -7.462 -0.014 8.682 1.00 0.00 S ATOM 0 H CYS A 23 -5.312 0.363 12.235 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.942 -0.716 9.700 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.035 0.248 11.036 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.661 1.714 10.152 1.00 0.00 H new ATOM 337 N PHE A 24 -4.510 1.312 8.041 1.00 0.00 N ATOM 338 CA PHE A 24 -3.812 2.240 7.159 1.00 0.00 C ATOM 339 C PHE A 24 -4.652 3.489 6.910 1.00 0.00 C ATOM 340 O PHE A 24 -4.120 4.561 6.623 1.00 0.00 O ATOM 341 CB PHE A 24 -3.481 1.561 5.829 1.00 0.00 C ATOM 342 CG PHE A 24 -2.612 2.394 4.931 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.173 3.319 4.065 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.234 2.252 4.952 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.376 4.088 3.237 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.432 3.018 4.127 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.004 3.936 3.268 1.00 0.00 C ATOM 0 H PHE A 24 -5.176 0.701 7.568 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.884 2.539 7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.981 0.613 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.410 1.328 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.246 3.441 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.781 1.535 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.826 4.806 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.641 2.899 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.379 4.534 2.621 1.00 0.00 H new ATOM 357 N ASP A 25 -5.968 3.342 7.022 1.00 0.00 N ATOM 358 CA ASP A 25 -6.883 4.457 6.809 1.00 0.00 C ATOM 359 C ASP A 25 -7.456 4.950 8.134 1.00 0.00 C ATOM 360 O ASP A 25 -7.134 6.046 8.594 1.00 0.00 O ATOM 361 CB ASP A 25 -8.017 4.043 5.871 1.00 0.00 C ATOM 362 CG ASP A 25 -7.567 3.042 4.825 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.370 3.055 4.468 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.411 2.246 4.364 1.00 0.00 O ATOM 0 H ASP A 25 -6.425 2.461 7.259 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.323 5.272 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.830 3.612 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.416 4.928 5.375 1.00 0.00 H new ATOM 369 N CYS A 26 -8.309 4.133 8.744 1.00 0.00 N ATOM 370 CA CYS A 26 -8.929 4.485 10.015 1.00 0.00 C ATOM 371 C CYS A 26 -7.947 4.302 11.169 1.00 0.00 C ATOM 372 O CYS A 26 -8.299 4.492 12.333 1.00 0.00 O ATOM 373 CB CYS A 26 -10.176 3.631 10.252 1.00 0.00 C ATOM 374 SG CYS A 26 -9.819 1.903 10.706 1.00 0.00 S ATOM 0 H CYS A 26 -8.586 3.222 8.378 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.219 5.535 9.971 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.771 4.088 11.043 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.786 3.639 9.349 1.00 0.00 H new ATOM 379 N ASP A 27 -6.715 3.932 10.837 1.00 0.00 N ATOM 380 CA ASP A 27 -5.682 3.725 11.844 1.00 0.00 C ATOM 381 C ASP A 27 -6.252 3.022 13.072 1.00 0.00 C ATOM 382 O ASP A 27 -5.856 3.307 14.201 1.00 0.00 O ATOM 383 CB ASP A 27 -5.059 5.061 12.250 1.00 0.00 C ATOM 384 CG ASP A 27 -3.967 5.504 11.296 1.00 0.00 C ATOM 385 OD1 ASP A 27 -4.300 5.966 10.185 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.778 5.390 11.662 1.00 0.00 O ATOM 0 H ASP A 27 -6.408 3.769 9.878 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.910 3.090 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.836 5.824 12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.647 4.976 13.255 1.00 0.00 H new ATOM 391 N GLN A 28 -7.186 2.104 12.841 1.00 0.00 N ATOM 392 CA GLN A 28 -7.812 1.362 13.929 1.00 0.00 C ATOM 393 C GLN A 28 -6.828 0.378 14.554 1.00 0.00 C ATOM 394 O GLN A 28 -5.914 -0.108 13.888 1.00 0.00 O ATOM 395 CB GLN A 28 -9.046 0.615 13.421 1.00 0.00 C ATOM 396 CG GLN A 28 -9.481 -0.527 14.326 1.00 0.00 C ATOM 397 CD GLN A 28 -10.676 -1.282 13.778 1.00 0.00 C ATOM 398 OE1 GLN A 28 -10.552 -2.421 13.328 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.844 -0.650 13.814 1.00 0.00 N ATOM 0 H GLN A 28 -7.525 1.857 11.911 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.118 2.076 14.694 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.871 1.320 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.838 0.220 12.426 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.649 -1.218 14.458 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.727 -0.131 15.312 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.901 0.294 14.196 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.683 -1.109 13.460 1.00 0.00 H new ATOM 408 N ARG A 29 -7.022 0.089 15.837 1.00 0.00 N ATOM 409 CA ARG A 29 -6.151 -0.835 16.552 1.00 0.00 C ATOM 410 C ARG A 29 -6.638 -2.273 16.394 1.00 0.00 C ATOM 411 O ARG A 29 -7.599 -2.688 17.040 1.00 0.00 O ATOM 412 CB ARG A 29 -6.088 -0.467 18.035 1.00 0.00 C ATOM 413 CG ARG A 29 -4.788 -0.874 18.709 1.00 0.00 C ATOM 414 CD ARG A 29 -4.774 -2.357 19.043 1.00 0.00 C ATOM 415 NE ARG A 29 -4.257 -3.162 17.939 1.00 0.00 N ATOM 416 CZ ARG A 29 -3.793 -4.398 18.085 1.00 0.00 C ATOM 417 NH1 ARG A 29 -3.781 -4.968 19.282 1.00 0.00 N ATOM 418 NH2 ARG A 29 -3.339 -5.065 17.032 1.00 0.00 N ATOM 0 H ARG A 29 -7.775 0.482 16.402 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.152 -0.758 16.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.220 0.610 18.139 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.921 -0.942 18.554 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.949 -0.640 18.054 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.653 -0.293 19.621 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.163 -2.523 19.930 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.785 -2.683 19.287 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.252 -2.752 17.005 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.129 -4.457 20.094 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.424 -5.917 19.391 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.346 -4.629 16.110 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.983 -6.014 17.144 1.00 0.00 H new ATOM 432 N GLY A 30 -5.967 -3.028 15.530 1.00 0.00 N ATOM 433 CA GLY A 30 -6.346 -4.410 15.302 1.00 0.00 C ATOM 434 C GLY A 30 -6.781 -4.664 13.872 1.00 0.00 C ATOM 435 O GLY A 30 -7.947 -4.949 13.597 1.00 0.00 O ATOM 0 H GLY A 30 -5.168 -2.707 14.984 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.504 -5.059 15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.158 -4.677 15.978 1.00 0.00 H new ATOM 439 N PRO A 31 -5.830 -4.560 12.933 1.00 0.00 N ATOM 440 CA PRO A 31 -6.098 -4.776 11.508 1.00 0.00 C ATOM 441 C PRO A 31 -6.392 -6.237 11.188 1.00 0.00 C ATOM 442 O PRO A 31 -5.664 -7.136 11.613 1.00 0.00 O ATOM 443 CB PRO A 31 -4.799 -4.331 10.831 1.00 0.00 C ATOM 444 CG PRO A 31 -3.749 -4.509 11.873 1.00 0.00 C ATOM 445 CD PRO A 31 -4.419 -4.225 13.189 1.00 0.00 C ATOM 0 HA PRO A 31 -6.979 -4.229 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.586 -4.933 9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.859 -3.293 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.345 -5.521 11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.914 -3.829 11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.001 -4.832 13.992 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.301 -3.182 13.483 1.00 0.00 H new ATOM 453 N THR A 32 -7.462 -6.470 10.434 1.00 0.00 N ATOM 454 CA THR A 32 -7.853 -7.823 10.058 1.00 0.00 C ATOM 455 C THR A 32 -7.973 -7.959 8.544 1.00 0.00 C ATOM 456 O THR A 32 -8.667 -8.845 8.044 1.00 0.00 O ATOM 457 CB THR A 32 -9.192 -8.222 10.706 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.226 -7.324 10.287 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.084 -8.207 12.223 1.00 0.00 C ATOM 0 H THR A 32 -8.074 -5.739 10.072 1.00 0.00 H new ATOM 0 HA THR A 32 -7.071 -8.490 10.420 1.00 0.00 H new ATOM 0 HB THR A 32 -9.439 -9.234 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.074 -7.586 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.042 -8.492 12.659 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.316 -8.913 12.540 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.816 -7.205 12.559 1.00 0.00 H new ATOM 467 N TYR A 33 -7.293 -7.077 7.820 1.00 0.00 N ATOM 468 CA TYR A 33 -7.326 -7.098 6.362 1.00 0.00 C ATOM 469 C TYR A 33 -6.027 -6.548 5.780 1.00 0.00 C ATOM 470 O TYR A 33 -5.260 -5.876 6.470 1.00 0.00 O ATOM 471 CB TYR A 33 -8.514 -6.285 5.846 1.00 0.00 C ATOM 472 CG TYR A 33 -9.778 -7.098 5.680 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.615 -7.345 6.761 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.135 -7.620 4.443 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.771 -8.088 6.615 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.289 -8.363 4.287 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.103 -8.594 5.376 1.00 0.00 C ATOM 478 OH TYR A 33 -13.253 -9.335 5.225 1.00 0.00 O ATOM 0 H TYR A 33 -6.713 -6.339 8.218 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.437 -8.134 6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.708 -5.464 6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.250 -5.840 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.358 -6.949 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.499 -7.442 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.410 -8.271 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.552 -8.761 3.318 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.051 -10.284 5.362 1.00 0.00 H new ATOM 488 N VAL A 34 -5.788 -6.838 4.505 1.00 0.00 N ATOM 489 CA VAL A 34 -4.584 -6.372 3.828 1.00 0.00 C ATOM 490 C VAL A 34 -4.871 -6.033 2.370 1.00 0.00 C ATOM 491 O VAL A 34 -5.345 -6.874 1.608 1.00 0.00 O ATOM 492 CB VAL A 34 -3.463 -7.426 3.888 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.931 -7.561 5.307 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.963 -8.765 3.368 1.00 0.00 C ATOM 0 H VAL A 34 -6.412 -7.394 3.920 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.255 -5.473 4.349 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.644 -7.096 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.140 -8.310 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.532 -6.602 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.739 -7.867 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.158 -9.498 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.800 -9.103 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.290 -8.655 2.334 1.00 0.00 H new ATOM 504 N ASN A 35 -4.579 -4.794 1.988 1.00 0.00 N ATOM 505 CA ASN A 35 -4.805 -4.342 0.619 1.00 0.00 C ATOM 506 C ASN A 35 -3.686 -4.818 -0.302 1.00 0.00 C ATOM 507 O ASN A 35 -2.715 -4.100 -0.538 1.00 0.00 O ATOM 508 CB ASN A 35 -4.905 -2.816 0.574 1.00 0.00 C ATOM 509 CG ASN A 35 -5.771 -2.328 -0.571 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.444 -3.116 -1.235 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.757 -1.021 -0.807 1.00 0.00 N ATOM 0 H ASN A 35 -4.185 -4.085 2.607 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.745 -4.771 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.315 -2.453 1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.906 -2.392 0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.320 -0.633 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.184 -0.405 -0.231 1.00 0.00 H new ATOM 518 N MET A 36 -3.830 -6.033 -0.821 1.00 0.00 N ATOM 519 CA MET A 36 -2.832 -6.604 -1.718 1.00 0.00 C ATOM 520 C MET A 36 -2.365 -5.571 -2.738 1.00 0.00 C ATOM 521 O MET A 36 -1.165 -5.401 -2.961 1.00 0.00 O ATOM 522 CB MET A 36 -3.403 -7.827 -2.438 1.00 0.00 C ATOM 523 CG MET A 36 -3.813 -8.949 -1.498 1.00 0.00 C ATOM 524 SD MET A 36 -2.557 -9.308 -0.255 1.00 0.00 S ATOM 525 CE MET A 36 -1.175 -9.774 -1.295 1.00 0.00 C ATOM 0 H MET A 36 -4.628 -6.641 -0.636 1.00 0.00 H new ATOM 0 HA MET A 36 -1.974 -6.912 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.269 -7.521 -3.025 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.660 -8.205 -3.140 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.744 -8.679 -1.000 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.012 -9.850 -2.079 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.347 -10.110 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.478 -10.581 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.858 -8.914 -1.886 1.00 0.00 H new ATOM 535 N THR A 37 -3.319 -4.883 -3.357 1.00 0.00 N ATOM 536 CA THR A 37 -3.005 -3.868 -4.355 1.00 0.00 C ATOM 537 C THR A 37 -1.998 -2.858 -3.814 1.00 0.00 C ATOM 538 O THR A 37 -1.076 -2.448 -4.519 1.00 0.00 O ATOM 539 CB THR A 37 -4.271 -3.119 -4.812 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.276 -4.056 -5.213 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.956 -2.180 -5.967 1.00 0.00 C ATOM 0 H THR A 37 -4.316 -5.010 -3.185 1.00 0.00 H new ATOM 0 HA THR A 37 -2.571 -4.388 -5.209 1.00 0.00 H new ATOM 0 HB THR A 37 -4.640 -2.528 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.013 -3.579 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.865 -1.662 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.211 -1.450 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.566 -2.755 -6.807 1.00 0.00 H new ATOM 549 N VAL A 38 -2.181 -2.462 -2.559 1.00 0.00 N ATOM 550 CA VAL A 38 -1.288 -1.501 -1.923 1.00 0.00 C ATOM 551 C VAL A 38 -0.412 -2.176 -0.874 1.00 0.00 C ATOM 552 O VAL A 38 0.211 -1.510 -0.048 1.00 0.00 O ATOM 553 CB VAL A 38 -2.076 -0.356 -1.259 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.161 0.825 -0.972 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.245 0.064 -2.136 1.00 0.00 C ATOM 0 H VAL A 38 -2.940 -2.792 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.656 -1.088 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.475 -0.714 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.735 1.624 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.361 0.511 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.731 1.187 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.791 0.874 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.871 0.405 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.912 -0.785 -2.284 1.00 0.00 H new ATOM 565 N GLY A 39 -0.369 -3.505 -0.912 1.00 0.00 N ATOM 566 CA GLY A 39 0.434 -4.249 0.040 1.00 0.00 C ATOM 567 C GLY A 39 0.383 -3.652 1.433 1.00 0.00 C ATOM 568 O GLY A 39 1.360 -3.716 2.179 1.00 0.00 O ATOM 0 H GLY A 39 -0.876 -4.079 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.085 -5.281 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.468 -4.275 -0.303 1.00 0.00 H new ATOM 572 N SER A 40 -0.759 -3.069 1.784 1.00 0.00 N ATOM 573 CA SER A 40 -0.932 -2.454 3.094 1.00 0.00 C ATOM 574 C SER A 40 -1.868 -3.285 3.966 1.00 0.00 C ATOM 575 O SER A 40 -2.557 -4.181 3.477 1.00 0.00 O ATOM 576 CB SER A 40 -1.482 -1.034 2.945 1.00 0.00 C ATOM 577 OG SER A 40 -2.843 -1.053 2.552 1.00 0.00 O ATOM 0 H SER A 40 -1.578 -3.010 1.179 1.00 0.00 H new ATOM 0 HA SER A 40 0.043 -2.410 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.381 -0.500 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.895 -0.489 2.206 1.00 0.00 H new ATOM 0 HG SER A 40 -3.171 -0.134 2.465 1.00 0.00 H new ATOM 583 N PHE A 41 -1.888 -2.982 5.259 1.00 0.00 N ATOM 584 CA PHE A 41 -2.738 -3.701 6.201 1.00 0.00 C ATOM 585 C PHE A 41 -3.944 -2.855 6.600 1.00 0.00 C ATOM 586 O PHE A 41 -3.800 -1.801 7.219 1.00 0.00 O ATOM 587 CB PHE A 41 -1.940 -4.091 7.446 1.00 0.00 C ATOM 588 CG PHE A 41 -1.094 -5.318 7.257 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.008 -5.301 6.396 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.386 -6.488 7.938 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.772 -6.428 6.220 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.609 -7.618 7.766 1.00 0.00 C ATOM 593 CZ PHE A 41 0.470 -7.588 6.905 1.00 0.00 C ATOM 0 H PHE A 41 -1.325 -2.243 5.679 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.097 -4.606 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.298 -3.258 7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.631 -4.260 8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.231 -4.397 5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.230 -6.518 8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.617 -6.401 5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.846 -8.524 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.077 -8.471 6.768 1.00 0.00 H new ATOM 603 N VAL A 42 -5.134 -3.325 6.239 1.00 0.00 N ATOM 604 CA VAL A 42 -6.366 -2.614 6.559 1.00 0.00 C ATOM 605 C VAL A 42 -7.311 -3.491 7.373 1.00 0.00 C ATOM 606 O VAL A 42 -6.985 -4.630 7.709 1.00 0.00 O ATOM 607 CB VAL A 42 -7.090 -2.144 5.284 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.328 -1.002 4.628 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.269 -3.303 4.315 1.00 0.00 C ATOM 0 H VAL A 42 -5.271 -4.195 5.725 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.084 -1.743 7.150 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.078 -1.777 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.854 -0.683 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.257 -0.165 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.326 -1.339 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.782 -2.953 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.292 -3.702 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.861 -4.086 4.790 1.00 0.00 H new ATOM 619 N CYS A 43 -8.485 -2.953 7.687 1.00 0.00 N ATOM 620 CA CYS A 43 -9.479 -3.686 8.462 1.00 0.00 C ATOM 621 C CYS A 43 -10.681 -4.052 7.596 1.00 0.00 C ATOM 622 O CYS A 43 -10.731 -3.722 6.411 1.00 0.00 O ATOM 623 CB CYS A 43 -9.936 -2.853 9.662 1.00 0.00 C ATOM 624 SG CYS A 43 -10.998 -1.439 9.225 1.00 0.00 S ATOM 0 H CYS A 43 -8.771 -2.012 7.417 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.018 -4.606 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.476 -3.499 10.354 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.057 -2.484 10.190 1.00 0.00 H new ATOM 629 N THR A 44 -11.650 -4.736 8.197 1.00 0.00 N ATOM 630 CA THR A 44 -12.851 -5.149 7.482 1.00 0.00 C ATOM 631 C THR A 44 -13.643 -3.941 6.996 1.00 0.00 C ATOM 632 O THR A 44 -14.171 -3.939 5.883 1.00 0.00 O ATOM 633 CB THR A 44 -13.760 -6.021 8.368 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.905 -6.450 7.622 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.211 -5.255 9.602 1.00 0.00 C ATOM 0 H THR A 44 -11.626 -5.016 9.178 1.00 0.00 H new ATOM 0 HA THR A 44 -12.522 -5.735 6.624 1.00 0.00 H new ATOM 0 HB THR A 44 -13.189 -6.892 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.477 -7.005 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.852 -5.892 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.339 -4.955 10.183 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.766 -4.368 9.297 1.00 0.00 H new ATOM 643 N SER A 45 -13.722 -2.913 7.835 1.00 0.00 N ATOM 644 CA SER A 45 -14.453 -1.699 7.491 1.00 0.00 C ATOM 645 C SER A 45 -13.892 -1.069 6.219 1.00 0.00 C ATOM 646 O SER A 45 -14.573 -0.996 5.196 1.00 0.00 O ATOM 647 CB SER A 45 -14.386 -0.695 8.643 1.00 0.00 C ATOM 648 OG SER A 45 -15.263 0.396 8.420 1.00 0.00 O ATOM 0 H SER A 45 -13.289 -2.897 8.758 1.00 0.00 H new ATOM 0 HA SER A 45 -15.494 -1.969 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.648 -1.191 9.578 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.365 -0.329 8.752 1.00 0.00 H new ATOM 0 HG SER A 45 -15.203 1.023 9.171 1.00 0.00 H new ATOM 654 N CYS A 46 -12.645 -0.616 6.291 1.00 0.00 N ATOM 655 CA CYS A 46 -11.991 0.009 5.148 1.00 0.00 C ATOM 656 C CYS A 46 -12.018 -0.916 3.934 1.00 0.00 C ATOM 657 O CYS A 46 -12.518 -0.548 2.872 1.00 0.00 O ATOM 658 CB CYS A 46 -10.545 0.370 5.496 1.00 0.00 C ATOM 659 SG CYS A 46 -10.382 1.493 6.921 1.00 0.00 S ATOM 0 H CYS A 46 -12.067 -0.670 7.130 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.537 0.920 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.993 -0.546 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.078 0.833 4.627 1.00 0.00 H new ATOM 664 N SER A 47 -11.476 -2.118 4.101 1.00 0.00 N ATOM 665 CA SER A 47 -11.434 -3.095 3.019 1.00 0.00 C ATOM 666 C SER A 47 -12.699 -3.019 2.170 1.00 0.00 C ATOM 667 O SER A 47 -12.654 -3.190 0.953 1.00 0.00 O ATOM 668 CB SER A 47 -11.269 -4.507 3.585 1.00 0.00 C ATOM 669 OG SER A 47 -12.323 -4.825 4.478 1.00 0.00 O ATOM 0 H SER A 47 -11.060 -2.439 4.975 1.00 0.00 H new ATOM 0 HA SER A 47 -10.578 -2.863 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.249 -5.229 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.313 -4.585 4.103 1.00 0.00 H new ATOM 0 HG SER A 47 -12.855 -4.021 4.656 1.00 0.00 H new ATOM 675 N GLY A 48 -13.828 -2.761 2.823 1.00 0.00 N ATOM 676 CA GLY A 48 -15.090 -2.667 2.113 1.00 0.00 C ATOM 677 C GLY A 48 -15.168 -1.440 1.228 1.00 0.00 C ATOM 678 O GLY A 48 -15.640 -1.513 0.093 1.00 0.00 O ATOM 0 H GLY A 48 -13.891 -2.615 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.228 -3.560 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.908 -2.644 2.833 1.00 0.00 H new ATOM 682 N SER A 49 -14.704 -0.307 1.747 1.00 0.00 N ATOM 683 CA SER A 49 -14.727 0.943 0.997 1.00 0.00 C ATOM 684 C SER A 49 -13.744 0.897 -0.168 1.00 0.00 C ATOM 685 O SER A 49 -14.099 1.201 -1.308 1.00 0.00 O ATOM 686 CB SER A 49 -14.392 2.120 1.916 1.00 0.00 C ATOM 687 OG SER A 49 -15.472 2.412 2.786 1.00 0.00 O ATOM 0 H SER A 49 -14.308 -0.230 2.684 1.00 0.00 H new ATOM 0 HA SER A 49 -15.731 1.078 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.503 1.887 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.157 2.999 1.315 1.00 0.00 H new ATOM 0 HG SER A 49 -15.232 3.166 3.364 1.00 0.00 H new ATOM 693 N LEU A 50 -12.506 0.514 0.125 1.00 0.00 N ATOM 694 CA LEU A 50 -11.470 0.427 -0.897 1.00 0.00 C ATOM 695 C LEU A 50 -12.023 -0.175 -2.185 1.00 0.00 C ATOM 696 O LEU A 50 -11.707 0.284 -3.282 1.00 0.00 O ATOM 697 CB LEU A 50 -10.296 -0.413 -0.391 1.00 0.00 C ATOM 698 CG LEU A 50 -9.191 0.349 0.340 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.274 -0.616 1.076 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.395 1.203 -0.636 1.00 0.00 C ATOM 0 H LEU A 50 -12.196 0.259 1.063 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.121 1.437 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.686 -1.179 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.852 -0.930 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.656 1.008 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.493 -0.055 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.853 -1.184 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.818 -1.301 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.613 1.738 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.942 0.563 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.060 1.920 -1.118 1.00 0.00 H new ATOM 712 N ARG A 51 -12.853 -1.204 -2.042 1.00 0.00 N ATOM 713 CA ARG A 51 -13.452 -1.868 -3.193 1.00 0.00 C ATOM 714 C ARG A 51 -14.300 -0.892 -4.003 1.00 0.00 C ATOM 715 O ARG A 51 -14.254 -0.887 -5.233 1.00 0.00 O ATOM 716 CB ARG A 51 -14.310 -3.050 -2.737 1.00 0.00 C ATOM 717 CG ARG A 51 -13.515 -4.155 -2.061 1.00 0.00 C ATOM 718 CD ARG A 51 -14.306 -5.452 -2.000 1.00 0.00 C ATOM 719 NE ARG A 51 -13.722 -6.406 -1.060 1.00 0.00 N ATOM 720 CZ ARG A 51 -13.953 -7.713 -1.101 1.00 0.00 C ATOM 721 NH1 ARG A 51 -14.751 -8.220 -2.031 1.00 0.00 N ATOM 722 NH2 ARG A 51 -13.385 -8.516 -0.211 1.00 0.00 N ATOM 0 H ARG A 51 -13.125 -1.595 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.647 -2.236 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.073 -2.689 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.831 -3.465 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.585 -4.320 -2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.244 -3.845 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.333 -5.237 -1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.345 -5.900 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.103 -6.048 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.189 -7.606 -2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.927 -9.224 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.770 -8.130 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.563 -9.520 -0.243 1.00 0.00 H new ATOM 736 N GLY A 52 -15.074 -0.067 -3.305 1.00 0.00 N ATOM 737 CA GLY A 52 -15.922 0.901 -3.976 1.00 0.00 C ATOM 738 C GLY A 52 -15.171 1.703 -5.020 1.00 0.00 C ATOM 739 O GLY A 52 -15.729 2.059 -6.059 1.00 0.00 O ATOM 0 H GLY A 52 -15.129 -0.052 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.755 0.383 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.348 1.580 -3.237 1.00 0.00 H new ATOM 743 N LEU A 53 -13.904 1.992 -4.744 1.00 0.00 N ATOM 744 CA LEU A 53 -13.076 2.760 -5.667 1.00 0.00 C ATOM 745 C LEU A 53 -13.118 2.156 -7.067 1.00 0.00 C ATOM 746 O LEU A 53 -13.612 1.046 -7.261 1.00 0.00 O ATOM 747 CB LEU A 53 -11.632 2.811 -5.165 1.00 0.00 C ATOM 748 CG LEU A 53 -11.432 3.361 -3.752 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.975 3.240 -3.333 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.892 4.810 -3.674 1.00 0.00 C ATOM 0 H LEU A 53 -13.428 1.706 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.474 3.774 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.219 1.803 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.049 3.420 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.037 2.770 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.852 3.636 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.678 2.191 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.350 3.805 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.742 5.185 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.314 5.413 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.950 4.870 -3.931 1.00 0.00 H new ATOM 762 N ASN A 54 -12.594 2.895 -8.040 1.00 0.00 N ATOM 763 CA ASN A 54 -12.571 2.431 -9.423 1.00 0.00 C ATOM 764 C ASN A 54 -11.231 2.750 -10.081 1.00 0.00 C ATOM 765 O ASN A 54 -10.842 3.909 -10.225 1.00 0.00 O ATOM 766 CB ASN A 54 -13.708 3.076 -10.218 1.00 0.00 C ATOM 767 CG ASN A 54 -13.963 2.372 -11.537 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.469 2.792 -12.583 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.737 1.294 -11.492 1.00 0.00 N ATOM 0 H ASN A 54 -12.180 3.816 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.707 1.349 -9.420 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.619 3.062 -9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.467 4.122 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.943 0.778 -12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.125 0.982 -10.602 1.00 0.00 H new ATOM 776 N PRO A 55 -10.508 1.697 -10.490 1.00 0.00 N ATOM 777 CA PRO A 55 -10.960 0.313 -10.322 1.00 0.00 C ATOM 778 C PRO A 55 -10.954 -0.126 -8.862 1.00 0.00 C ATOM 779 O PRO A 55 -10.274 0.455 -8.017 1.00 0.00 O ATOM 780 CB PRO A 55 -9.938 -0.494 -11.127 1.00 0.00 C ATOM 781 CG PRO A 55 -8.712 0.352 -11.139 1.00 0.00 C ATOM 782 CD PRO A 55 -9.192 1.777 -11.146 1.00 0.00 C ATOM 0 HA PRO A 55 -11.989 0.177 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.746 -1.463 -10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.295 -0.688 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.092 0.153 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.101 0.142 -12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.512 2.433 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.272 2.169 -12.160 1.00 0.00 H new ATOM 790 N PRO A 56 -11.730 -1.177 -8.557 1.00 0.00 N ATOM 791 CA PRO A 56 -11.831 -1.718 -7.198 1.00 0.00 C ATOM 792 C PRO A 56 -10.547 -2.412 -6.754 1.00 0.00 C ATOM 793 O PRO A 56 -10.055 -3.318 -7.426 1.00 0.00 O ATOM 794 CB PRO A 56 -12.976 -2.728 -7.302 1.00 0.00 C ATOM 795 CG PRO A 56 -12.995 -3.132 -8.736 1.00 0.00 C ATOM 796 CD PRO A 56 -12.568 -1.918 -9.514 1.00 0.00 C ATOM 0 HA PRO A 56 -12.001 -0.935 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.808 -3.586 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.925 -2.283 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.319 -3.968 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.991 -3.458 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.010 -2.191 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.424 -1.328 -9.839 1.00 0.00 H new ATOM 804 N HIS A 57 -10.010 -1.980 -5.617 1.00 0.00 N ATOM 805 CA HIS A 57 -8.784 -2.561 -5.082 1.00 0.00 C ATOM 806 C HIS A 57 -8.999 -4.019 -4.690 1.00 0.00 C ATOM 807 O HIS A 57 -10.074 -4.578 -4.908 1.00 0.00 O ATOM 808 CB HIS A 57 -8.301 -1.761 -3.871 1.00 0.00 C ATOM 809 CG HIS A 57 -7.778 -0.402 -4.221 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.996 0.346 -3.366 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.926 0.343 -5.341 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.688 1.493 -3.945 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.240 1.516 -5.145 1.00 0.00 N ATOM 0 H HIS A 57 -10.404 -1.230 -5.049 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.023 -2.521 -5.861 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.124 -1.654 -3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.517 -2.323 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.481 0.066 -6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.087 2.278 -3.511 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.168 2.281 -5.816 1.00 0.00 H new ATOM 821 N ARG A 58 -7.970 -4.630 -4.112 1.00 0.00 N ATOM 822 CA ARG A 58 -8.047 -6.024 -3.692 1.00 0.00 C ATOM 823 C ARG A 58 -7.731 -6.162 -2.206 1.00 0.00 C ATOM 824 O ARG A 58 -6.690 -5.702 -1.736 1.00 0.00 O ATOM 825 CB ARG A 58 -7.079 -6.880 -4.511 1.00 0.00 C ATOM 826 CG ARG A 58 -7.555 -8.308 -4.719 1.00 0.00 C ATOM 827 CD ARG A 58 -7.438 -9.125 -3.442 1.00 0.00 C ATOM 828 NE ARG A 58 -8.321 -10.289 -3.455 1.00 0.00 N ATOM 829 CZ ARG A 58 -9.646 -10.207 -3.412 1.00 0.00 C ATOM 830 NH1 ARG A 58 -10.238 -9.023 -3.355 1.00 0.00 N ATOM 831 NH2 ARG A 58 -10.381 -11.312 -3.428 1.00 0.00 N ATOM 0 H ARG A 58 -7.073 -4.182 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.065 -6.373 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.927 -6.412 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.111 -6.898 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.592 -8.302 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.967 -8.777 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.407 -9.454 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.680 -8.496 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.897 -11.215 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.676 -8.172 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.256 -8.963 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.928 -12.225 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.398 -11.248 -3.395 1.00 0.00 H new ATOM 845 N VAL A 59 -8.637 -6.798 -1.470 1.00 0.00 N ATOM 846 CA VAL A 59 -8.456 -6.998 -0.037 1.00 0.00 C ATOM 847 C VAL A 59 -8.740 -8.442 0.357 1.00 0.00 C ATOM 848 O VAL A 59 -9.726 -9.035 -0.082 1.00 0.00 O ATOM 849 CB VAL A 59 -9.369 -6.064 0.780 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.700 -4.715 0.994 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.714 -5.898 0.088 1.00 0.00 C ATOM 0 H VAL A 59 -9.504 -7.184 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.415 -6.763 0.186 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.541 -6.515 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.360 -4.069 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.764 -4.855 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.496 -4.253 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.347 -5.235 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.563 -5.469 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.196 -6.871 -0.008 1.00 0.00 H new ATOM 861 N LYS A 60 -7.871 -9.005 1.189 1.00 0.00 N ATOM 862 CA LYS A 60 -8.028 -10.381 1.646 1.00 0.00 C ATOM 863 C LYS A 60 -7.873 -10.472 3.161 1.00 0.00 C ATOM 864 O LYS A 60 -6.826 -10.129 3.709 1.00 0.00 O ATOM 865 CB LYS A 60 -7.002 -11.287 0.962 1.00 0.00 C ATOM 866 CG LYS A 60 -7.290 -11.530 -0.509 1.00 0.00 C ATOM 867 CD LYS A 60 -6.101 -12.161 -1.214 1.00 0.00 C ATOM 868 CE LYS A 60 -5.988 -13.644 -0.896 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.202 -14.374 -1.929 1.00 0.00 N ATOM 0 H LYS A 60 -7.049 -8.529 1.561 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.031 -10.714 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.013 -10.841 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.973 -12.245 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.159 -12.180 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.541 -10.586 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.201 -12.025 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.186 -11.652 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.515 -13.772 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.986 -14.077 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.988 -15.333 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.755 -14.433 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.313 -13.866 -2.112 1.00 0.00 H new ATOM 883 N SER A 61 -8.922 -10.939 3.831 1.00 0.00 N ATOM 884 CA SER A 61 -8.902 -11.073 5.283 1.00 0.00 C ATOM 885 C SER A 61 -7.596 -11.706 5.753 1.00 0.00 C ATOM 886 O SER A 61 -6.939 -12.428 5.002 1.00 0.00 O ATOM 887 CB SER A 61 -10.089 -11.916 5.754 1.00 0.00 C ATOM 888 OG SER A 61 -11.276 -11.144 5.802 1.00 0.00 O ATOM 0 H SER A 61 -9.795 -11.231 3.392 1.00 0.00 H new ATOM 0 HA SER A 61 -8.978 -10.076 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.228 -12.762 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.878 -12.327 6.742 1.00 0.00 H new ATOM 0 HG SER A 61 -11.147 -10.313 5.298 1.00 0.00 H new ATOM 894 N ILE A 62 -7.227 -11.430 6.999 1.00 0.00 N ATOM 895 CA ILE A 62 -6.000 -11.973 7.570 1.00 0.00 C ATOM 896 C ILE A 62 -6.259 -13.308 8.260 1.00 0.00 C ATOM 897 O ILE A 62 -5.411 -14.200 8.247 1.00 0.00 O ATOM 898 CB ILE A 62 -5.370 -10.998 8.582 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.729 -9.816 7.852 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.343 -11.718 9.442 1.00 0.00 C ATOM 901 CD1 ILE A 62 -3.987 -8.870 8.771 1.00 0.00 C ATOM 0 H ILE A 62 -7.760 -10.834 7.633 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.306 -12.123 6.743 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.155 -10.615 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.038 -10.195 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.504 -9.262 7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.907 -11.016 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.828 -12.529 9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.557 -12.126 8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.558 -8.056 8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.678 -8.462 9.508 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.189 -9.410 9.281 1.00 0.00 H new ATOM 913 N SER A 63 -7.437 -13.438 8.862 1.00 0.00 N ATOM 914 CA SER A 63 -7.807 -14.664 9.560 1.00 0.00 C ATOM 915 C SER A 63 -8.770 -15.498 8.720 1.00 0.00 C ATOM 916 O SER A 63 -8.595 -16.707 8.572 1.00 0.00 O ATOM 917 CB SER A 63 -8.446 -14.333 10.910 1.00 0.00 C ATOM 918 OG SER A 63 -9.634 -13.579 10.742 1.00 0.00 O ATOM 0 H SER A 63 -8.151 -12.710 8.880 1.00 0.00 H new ATOM 0 HA SER A 63 -6.901 -15.246 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.670 -15.256 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.740 -13.772 11.522 1.00 0.00 H new ATOM 0 HG SER A 63 -10.354 -14.167 10.431 1.00 0.00 H new ATOM 924 N MET A 64 -9.788 -14.842 8.171 1.00 0.00 N ATOM 925 CA MET A 64 -10.778 -15.522 7.345 1.00 0.00 C ATOM 926 C MET A 64 -10.145 -16.050 6.062 1.00 0.00 C ATOM 927 O MET A 64 -10.455 -17.154 5.613 1.00 0.00 O ATOM 928 CB MET A 64 -11.929 -14.573 7.006 1.00 0.00 C ATOM 929 CG MET A 64 -12.961 -14.449 8.115 1.00 0.00 C ATOM 930 SD MET A 64 -12.402 -13.402 9.471 1.00 0.00 S ATOM 931 CE MET A 64 -13.284 -11.884 9.114 1.00 0.00 C ATOM 0 H MET A 64 -9.948 -13.841 8.284 1.00 0.00 H new ATOM 0 HA MET A 64 -11.168 -16.367 7.912 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.522 -13.586 6.787 1.00 0.00 H new ATOM 0 HB3 MET A 64 -12.422 -14.923 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.884 -14.041 7.703 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.195 -15.441 8.500 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.041 -11.136 9.868 1.00 0.00 H new ATOM 0 HE2 MET A 64 -12.992 -11.516 8.131 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.357 -12.075 9.125 1.00 0.00 H new ATOM 941 N THR A 65 -9.255 -15.255 5.475 1.00 0.00 N ATOM 942 CA THR A 65 -8.580 -15.643 4.243 1.00 0.00 C ATOM 943 C THR A 65 -7.103 -15.927 4.491 1.00 0.00 C ATOM 944 O THR A 65 -6.437 -15.205 5.234 1.00 0.00 O ATOM 945 CB THR A 65 -8.706 -14.549 3.165 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.087 -14.290 2.889 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.998 -14.966 1.885 1.00 0.00 C ATOM 0 H THR A 65 -8.985 -14.339 5.833 1.00 0.00 H new ATOM 0 HA THR A 65 -9.067 -16.551 3.888 1.00 0.00 H new ATOM 0 HB THR A 65 -8.235 -13.642 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.159 -13.593 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.101 -14.178 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.941 -15.134 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.444 -15.885 1.505 1.00 0.00 H new ATOM 955 N THR A 66 -6.595 -16.985 3.866 1.00 0.00 N ATOM 956 CA THR A 66 -5.197 -17.365 4.019 1.00 0.00 C ATOM 957 C THR A 66 -4.330 -16.720 2.945 1.00 0.00 C ATOM 958 O THR A 66 -4.823 -15.965 2.106 1.00 0.00 O ATOM 959 CB THR A 66 -5.020 -18.894 3.955 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.276 -19.362 2.626 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.958 -19.588 4.932 1.00 0.00 C ATOM 0 H THR A 66 -7.132 -17.594 3.249 1.00 0.00 H new ATOM 0 HA THR A 66 -4.880 -17.010 4.999 1.00 0.00 H new ATOM 0 HB THR A 66 -3.992 -19.131 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.160 -20.335 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.815 -20.667 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.741 -19.252 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.990 -19.343 4.682 1.00 0.00 H new ATOM 969 N PHE A 67 -3.036 -17.021 2.975 1.00 0.00 N ATOM 970 CA PHE A 67 -2.100 -16.469 2.003 1.00 0.00 C ATOM 971 C PHE A 67 -1.108 -17.532 1.539 1.00 0.00 C ATOM 972 O PHE A 67 -1.160 -18.681 1.979 1.00 0.00 O ATOM 973 CB PHE A 67 -1.347 -15.281 2.605 1.00 0.00 C ATOM 974 CG PHE A 67 -2.232 -14.111 2.927 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.040 -13.548 1.952 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.257 -13.575 4.204 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.854 -12.471 2.245 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.071 -12.498 4.504 1.00 0.00 C ATOM 979 CZ PHE A 67 -3.871 -11.946 3.523 1.00 0.00 C ATOM 0 H PHE A 67 -2.612 -17.644 3.662 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.671 -16.128 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.841 -15.605 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.574 -14.960 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.033 -13.956 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.633 -14.003 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.477 -12.040 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.081 -12.089 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.509 -11.106 3.754 1.00 0.00 H new ATOM 989 N THR A 68 -0.204 -17.140 0.647 1.00 0.00 N ATOM 990 CA THR A 68 0.799 -18.057 0.121 1.00 0.00 C ATOM 991 C THR A 68 2.189 -17.431 0.153 1.00 0.00 C ATOM 992 O THR A 68 2.329 -16.209 0.101 1.00 0.00 O ATOM 993 CB THR A 68 0.473 -18.479 -1.324 1.00 0.00 C ATOM 994 OG1 THR A 68 1.540 -19.271 -1.857 1.00 0.00 O ATOM 995 CG2 THR A 68 0.249 -17.260 -2.206 1.00 0.00 C ATOM 0 H THR A 68 -0.146 -16.193 0.273 1.00 0.00 H new ATOM 0 HA THR A 68 0.786 -18.939 0.761 1.00 0.00 H new ATOM 0 HB THR A 68 -0.443 -19.070 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.323 -19.536 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.020 -17.583 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.584 -16.676 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.150 -16.647 -2.214 1.00 0.00 H new ATOM 1003 N GLN A 69 3.212 -18.275 0.240 1.00 0.00 N ATOM 1004 CA GLN A 69 4.590 -17.802 0.279 1.00 0.00 C ATOM 1005 C GLN A 69 4.785 -16.614 -0.658 1.00 0.00 C ATOM 1006 O GLN A 69 5.259 -15.557 -0.243 1.00 0.00 O ATOM 1007 CB GLN A 69 5.550 -18.930 -0.103 1.00 0.00 C ATOM 1008 CG GLN A 69 7.016 -18.564 0.062 1.00 0.00 C ATOM 1009 CD GLN A 69 7.439 -18.489 1.516 1.00 0.00 C ATOM 1010 OE1 GLN A 69 6.673 -18.833 2.416 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.665 -18.037 1.753 1.00 0.00 N ATOM 0 H GLN A 69 3.112 -19.289 0.285 1.00 0.00 H new ATOM 0 HA GLN A 69 4.807 -17.478 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.331 -19.805 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.370 -19.214 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.631 -19.302 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.203 -17.603 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.266 -17.763 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.005 -17.964 2.712 1.00 0.00 H new ATOM 1020 N GLN A 70 4.417 -16.797 -1.922 1.00 0.00 N ATOM 1021 CA GLN A 70 4.553 -15.740 -2.917 1.00 0.00 C ATOM 1022 C GLN A 70 3.954 -14.433 -2.409 1.00 0.00 C ATOM 1023 O GLN A 70 4.636 -13.411 -2.343 1.00 0.00 O ATOM 1024 CB GLN A 70 3.875 -16.152 -4.225 1.00 0.00 C ATOM 1025 CG GLN A 70 4.396 -17.461 -4.795 1.00 0.00 C ATOM 1026 CD GLN A 70 5.880 -17.414 -5.103 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.669 -18.164 -4.529 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.268 -16.529 -6.014 1.00 0.00 N ATOM 0 H GLN A 70 4.023 -17.667 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 70 5.616 -15.583 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.802 -16.241 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.017 -15.362 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.201 -18.265 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.847 -17.700 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.580 -15.927 -6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.254 -16.452 -6.262 1.00 0.00 H new ATOM 1037 N GLU A 71 2.674 -14.474 -2.051 1.00 0.00 N ATOM 1038 CA GLU A 71 1.984 -13.292 -1.550 1.00 0.00 C ATOM 1039 C GLU A 71 2.687 -12.733 -0.316 1.00 0.00 C ATOM 1040 O GLU A 71 3.081 -11.567 -0.288 1.00 0.00 O ATOM 1041 CB GLU A 71 0.529 -13.628 -1.213 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.325 -13.926 -2.434 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.784 -14.145 -2.086 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.057 -14.771 -1.040 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.654 -13.690 -2.858 1.00 0.00 O ATOM 0 H GLU A 71 2.095 -15.312 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 71 2.003 -12.533 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.509 -14.490 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.089 -12.793 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.244 -13.099 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.062 -14.813 -2.936 1.00 0.00 H new ATOM 1052 N ILE A 72 2.839 -13.574 0.702 1.00 0.00 N ATOM 1053 CA ILE A 72 3.494 -13.165 1.938 1.00 0.00 C ATOM 1054 C ILE A 72 4.656 -12.218 1.657 1.00 0.00 C ATOM 1055 O ILE A 72 4.638 -11.058 2.069 1.00 0.00 O ATOM 1056 CB ILE A 72 4.016 -14.380 2.727 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.857 -15.298 3.119 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.777 -13.922 3.963 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.827 -14.627 4.001 1.00 0.00 C ATOM 0 H ILE A 72 2.518 -14.542 0.695 1.00 0.00 H new ATOM 0 HA ILE A 72 2.744 -12.648 2.537 1.00 0.00 H new ATOM 0 HB ILE A 72 4.700 -14.941 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.369 -15.660 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.254 -16.171 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.140 -14.792 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.623 -13.305 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.114 -13.341 4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.035 -15.336 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.301 -14.290 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.402 -13.771 3.477 1.00 0.00 H new ATOM 1071 N GLU A 73 5.665 -12.720 0.952 1.00 0.00 N ATOM 1072 CA GLU A 73 6.835 -11.918 0.615 1.00 0.00 C ATOM 1073 C GLU A 73 6.421 -10.584 -0.001 1.00 0.00 C ATOM 1074 O GLU A 73 6.791 -9.519 0.493 1.00 0.00 O ATOM 1075 CB GLU A 73 7.741 -12.680 -0.354 1.00 0.00 C ATOM 1076 CG GLU A 73 8.471 -13.849 0.287 1.00 0.00 C ATOM 1077 CD GLU A 73 8.925 -14.880 -0.728 1.00 0.00 C ATOM 1078 OE1 GLU A 73 9.183 -14.496 -1.889 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.024 -16.070 -0.363 1.00 0.00 O ATOM 0 H GLU A 73 5.696 -13.678 0.603 1.00 0.00 H new ATOM 0 HA GLU A 73 7.385 -11.719 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.141 -13.049 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.474 -11.990 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.337 -13.476 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.816 -14.326 1.016 1.00 0.00 H new ATOM 1086 N PHE A 74 5.652 -10.652 -1.083 1.00 0.00 N ATOM 1087 CA PHE A 74 5.189 -9.451 -1.768 1.00 0.00 C ATOM 1088 C PHE A 74 4.728 -8.397 -0.765 1.00 0.00 C ATOM 1089 O PHE A 74 5.002 -7.207 -0.928 1.00 0.00 O ATOM 1090 CB PHE A 74 4.046 -9.793 -2.726 1.00 0.00 C ATOM 1091 CG PHE A 74 3.166 -8.621 -3.053 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.136 -8.253 -2.203 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.371 -7.886 -4.210 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.324 -7.175 -2.502 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.562 -6.806 -4.514 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.538 -6.450 -3.658 1.00 0.00 C ATOM 0 H PHE A 74 5.337 -11.526 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 74 6.023 -9.044 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.464 -10.192 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.437 -10.582 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.965 -8.815 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.171 -8.160 -4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.523 -6.900 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.731 -6.242 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.906 -5.606 -3.892 1.00 0.00 H new ATOM 1106 N LEU A 75 4.027 -8.841 0.272 1.00 0.00 N ATOM 1107 CA LEU A 75 3.527 -7.937 1.301 1.00 0.00 C ATOM 1108 C LEU A 75 4.673 -7.375 2.136 1.00 0.00 C ATOM 1109 O LEU A 75 4.778 -6.164 2.326 1.00 0.00 O ATOM 1110 CB LEU A 75 2.531 -8.665 2.207 1.00 0.00 C ATOM 1111 CG LEU A 75 1.079 -8.685 1.728 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.324 -9.842 2.362 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.395 -7.363 2.043 1.00 0.00 C ATOM 0 H LEU A 75 3.792 -9.822 0.422 1.00 0.00 H new ATOM 0 HA LEU A 75 3.021 -7.108 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.867 -9.695 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.561 -8.201 3.193 1.00 0.00 H new ATOM 0 HG LEU A 75 1.075 -8.824 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.707 -9.840 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.800 -10.783 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.337 -9.734 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.637 -7.396 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.410 -7.193 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.922 -6.552 1.540 1.00 0.00 H new ATOM 1125 N GLN A 76 5.531 -8.263 2.629 1.00 0.00 N ATOM 1126 CA GLN A 76 6.670 -7.854 3.441 1.00 0.00 C ATOM 1127 C GLN A 76 7.542 -6.852 2.691 1.00 0.00 C ATOM 1128 O GLN A 76 7.826 -5.763 3.191 1.00 0.00 O ATOM 1129 CB GLN A 76 7.503 -9.074 3.840 1.00 0.00 C ATOM 1130 CG GLN A 76 6.985 -9.784 5.081 1.00 0.00 C ATOM 1131 CD GLN A 76 7.976 -10.789 5.633 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.908 -11.204 4.943 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.779 -11.188 6.885 1.00 0.00 N ATOM 0 H GLN A 76 5.459 -9.269 2.480 1.00 0.00 H new ATOM 0 HA GLN A 76 6.288 -7.373 4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.521 -9.779 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.532 -8.760 4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.756 -9.045 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.052 -10.294 4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.994 -10.818 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.413 -11.864 7.311 1.00 0.00 H new ATOM 1142 N LYS A 77 7.964 -7.227 1.488 1.00 0.00 N ATOM 1143 CA LYS A 77 8.803 -6.361 0.667 1.00 0.00 C ATOM 1144 C LYS A 77 8.260 -4.936 0.649 1.00 0.00 C ATOM 1145 O LYS A 77 9.024 -3.971 0.606 1.00 0.00 O ATOM 1146 CB LYS A 77 8.888 -6.905 -0.761 1.00 0.00 C ATOM 1147 CG LYS A 77 9.397 -8.333 -0.839 1.00 0.00 C ATOM 1148 CD LYS A 77 10.911 -8.380 -0.959 1.00 0.00 C ATOM 1149 CE LYS A 77 11.397 -9.764 -1.362 1.00 0.00 C ATOM 1150 NZ LYS A 77 12.820 -9.984 -0.985 1.00 0.00 N ATOM 0 H LYS A 77 7.739 -8.125 1.060 1.00 0.00 H new ATOM 0 HA LYS A 77 9.802 -6.344 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.900 -6.855 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.544 -6.262 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.085 -8.881 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.947 -8.834 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.241 -7.649 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.361 -8.098 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.774 -10.521 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.283 -9.890 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.113 -10.938 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.418 -9.278 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.925 -9.890 0.045 1.00 0.00 H new ATOM 1164 N HIS A 78 6.938 -4.810 0.683 1.00 0.00 N ATOM 1165 CA HIS A 78 6.293 -3.502 0.673 1.00 0.00 C ATOM 1166 C HIS A 78 5.940 -3.059 2.089 1.00 0.00 C ATOM 1167 O HIS A 78 6.609 -2.205 2.669 1.00 0.00 O ATOM 1168 CB HIS A 78 5.033 -3.538 -0.192 1.00 0.00 C ATOM 1169 CG HIS A 78 5.305 -3.360 -1.654 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.322 -4.409 -2.549 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.570 -2.247 -2.377 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.588 -3.949 -3.759 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.742 -2.639 -3.682 1.00 0.00 N ATOM 0 H HIS A 78 6.292 -5.598 0.718 1.00 0.00 H new ATOM 0 HA HIS A 78 6.994 -2.782 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.524 -4.490 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.352 -2.755 0.140 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.155 -5.387 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.634 -1.238 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.666 -4.543 -4.658 1.00 0.00 H new ATOM 1181 N GLY A 79 4.882 -3.646 2.642 1.00 0.00 N ATOM 1182 CA GLY A 79 4.458 -3.298 3.985 1.00 0.00 C ATOM 1183 C GLY A 79 4.192 -1.814 4.143 1.00 0.00 C ATOM 1184 O GLY A 79 4.655 -1.005 3.341 1.00 0.00 O ATOM 0 H GLY A 79 4.312 -4.356 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.554 -3.854 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.226 -3.604 4.696 1.00 0.00 H new ATOM 1188 N ASN A 80 3.441 -1.456 5.180 1.00 0.00 N ATOM 1189 CA ASN A 80 3.112 -0.060 5.439 1.00 0.00 C ATOM 1190 C ASN A 80 4.374 0.758 5.698 1.00 0.00 C ATOM 1191 O ASN A 80 4.349 1.987 5.654 1.00 0.00 O ATOM 1192 CB ASN A 80 2.166 0.049 6.637 1.00 0.00 C ATOM 1193 CG ASN A 80 0.846 -0.657 6.396 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.670 -1.343 5.389 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.091 -0.492 7.323 1.00 0.00 N ATOM 0 H ASN A 80 3.049 -2.114 5.854 1.00 0.00 H new ATOM 0 HA ASN A 80 2.616 0.340 4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.648 -0.377 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.978 1.101 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.000 -0.943 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.098 0.086 8.142 1.00 0.00 H new ATOM 1202 N GLU A 81 5.476 0.065 5.968 1.00 0.00 N ATOM 1203 CA GLU A 81 6.748 0.727 6.234 1.00 0.00 C ATOM 1204 C GLU A 81 7.044 1.783 5.173 1.00 0.00 C ATOM 1205 O GLU A 81 7.091 2.977 5.466 1.00 0.00 O ATOM 1206 CB GLU A 81 7.882 -0.299 6.280 1.00 0.00 C ATOM 1207 CG GLU A 81 9.083 0.158 7.092 1.00 0.00 C ATOM 1208 CD GLU A 81 9.977 -0.994 7.509 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.531 -1.668 6.616 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.122 -1.221 8.729 1.00 0.00 O ATOM 0 H GLU A 81 5.514 -0.954 6.008 1.00 0.00 H new ATOM 0 HA GLU A 81 6.676 1.221 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.502 -1.230 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.204 -0.518 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.664 0.870 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.737 0.685 7.981 1.00 0.00 H new ATOM 1217 N VAL A 82 7.245 1.332 3.939 1.00 0.00 N ATOM 1218 CA VAL A 82 7.536 2.237 2.833 1.00 0.00 C ATOM 1219 C VAL A 82 6.258 2.659 2.117 1.00 0.00 C ATOM 1220 O VAL A 82 6.123 3.807 1.693 1.00 0.00 O ATOM 1221 CB VAL A 82 8.492 1.588 1.814 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.829 1.268 2.465 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.866 0.336 1.219 1.00 0.00 C ATOM 0 H VAL A 82 7.212 0.346 3.680 1.00 0.00 H new ATOM 0 HA VAL A 82 8.016 3.117 3.262 1.00 0.00 H new ATOM 0 HB VAL A 82 8.669 2.297 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.491 0.810 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.281 2.187 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.674 0.577 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.555 -0.109 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.658 -0.380 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.936 0.599 0.714 1.00 0.00 H new ATOM 1233 N CYS A 83 5.324 1.724 1.985 1.00 0.00 N ATOM 1234 CA CYS A 83 4.056 1.999 1.320 1.00 0.00 C ATOM 1235 C CYS A 83 3.493 3.347 1.758 1.00 0.00 C ATOM 1236 O CYS A 83 3.424 4.290 0.969 1.00 0.00 O ATOM 1237 CB CYS A 83 3.047 0.889 1.620 1.00 0.00 C ATOM 1238 SG CYS A 83 3.112 -0.500 0.465 1.00 0.00 S ATOM 0 H CYS A 83 5.421 0.769 2.330 1.00 0.00 H new ATOM 0 HA CYS A 83 4.238 2.034 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.222 0.517 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.043 1.312 1.606 1.00 0.00 H new ATOM 0 HG CYS A 83 1.908 -0.935 0.241 1.00 0.00 H new ATOM 1244 N LYS A 84 3.089 3.431 3.021 1.00 0.00 N ATOM 1245 CA LYS A 84 2.531 4.663 3.566 1.00 0.00 C ATOM 1246 C LYS A 84 3.310 5.878 3.073 1.00 0.00 C ATOM 1247 O LYS A 84 2.789 6.692 2.311 1.00 0.00 O ATOM 1248 CB LYS A 84 2.546 4.621 5.096 1.00 0.00 C ATOM 1249 CG LYS A 84 1.705 5.708 5.742 1.00 0.00 C ATOM 1250 CD LYS A 84 1.121 5.248 7.067 1.00 0.00 C ATOM 1251 CE LYS A 84 2.187 4.636 7.964 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.590 3.919 9.124 1.00 0.00 N ATOM 0 H LYS A 84 3.138 2.660 3.687 1.00 0.00 H new ATOM 0 HA LYS A 84 1.501 4.749 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.184 3.648 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.575 4.714 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.317 6.596 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.898 5.994 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.658 6.094 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.334 4.516 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.796 3.943 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.852 5.420 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.348 3.516 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.029 4.585 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.975 3.154 8.780 1.00 0.00 H new ATOM 1266 N GLN A 85 4.559 5.992 3.511 1.00 0.00 N ATOM 1267 CA GLN A 85 5.409 7.108 3.112 1.00 0.00 C ATOM 1268 C GLN A 85 5.281 7.383 1.617 1.00 0.00 C ATOM 1269 O GLN A 85 5.078 8.524 1.201 1.00 0.00 O ATOM 1270 CB GLN A 85 6.868 6.817 3.466 1.00 0.00 C ATOM 1271 CG GLN A 85 7.230 7.175 4.899 1.00 0.00 C ATOM 1272 CD GLN A 85 8.660 6.815 5.247 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.592 7.560 4.944 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.843 5.666 5.888 1.00 0.00 N ATOM 0 H GLN A 85 5.005 5.326 4.142 1.00 0.00 H new ATOM 0 HA GLN A 85 5.081 7.994 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.068 5.758 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.515 7.372 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.081 8.244 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.553 6.659 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.042 5.078 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.784 5.371 6.148 1.00 0.00 H new ATOM 1283 N ILE A 86 5.402 6.330 0.815 1.00 0.00 N ATOM 1284 CA ILE A 86 5.299 6.459 -0.633 1.00 0.00 C ATOM 1285 C ILE A 86 3.999 7.149 -1.033 1.00 0.00 C ATOM 1286 O ILE A 86 3.939 7.838 -2.051 1.00 0.00 O ATOM 1287 CB ILE A 86 5.373 5.086 -1.327 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.805 4.549 -1.293 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.874 5.189 -2.760 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.887 3.039 -1.350 1.00 0.00 C ATOM 0 H ILE A 86 5.571 5.379 1.143 1.00 0.00 H new ATOM 0 HA ILE A 86 6.144 7.067 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 86 4.731 4.389 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.361 4.967 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.293 4.897 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.933 4.211 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.839 5.532 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.492 5.898 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.932 2.730 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.360 2.613 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.428 2.684 -2.273 1.00 0.00 H new ATOM 1302 N TRP A 87 2.963 6.960 -0.224 1.00 0.00 N ATOM 1303 CA TRP A 87 1.664 7.566 -0.493 1.00 0.00 C ATOM 1304 C TRP A 87 1.537 8.914 0.208 1.00 0.00 C ATOM 1305 O TRP A 87 0.619 9.686 -0.072 1.00 0.00 O ATOM 1306 CB TRP A 87 0.540 6.634 -0.038 1.00 0.00 C ATOM 1307 CG TRP A 87 0.413 5.401 -0.882 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.852 4.146 -0.571 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.192 5.307 -2.176 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.557 3.278 -1.594 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.085 3.965 -2.590 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.816 6.226 -3.025 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.577 3.522 -3.815 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.303 5.785 -4.241 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.182 4.443 -4.626 1.00 0.00 C ATOM 0 H TRP A 87 2.997 6.393 0.623 1.00 0.00 H new ATOM 0 HA TRP A 87 1.581 7.727 -1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.717 6.341 0.997 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.404 7.178 -0.058 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.357 3.876 0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.780 2.283 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.916 7.262 -2.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.484 2.488 -4.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.785 6.487 -4.906 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.574 4.129 -5.582 1.00 0.00 H new ATOM 1326 N LEU A 88 2.463 9.192 1.118 1.00 0.00 N ATOM 1327 CA LEU A 88 2.455 10.449 1.859 1.00 0.00 C ATOM 1328 C LEU A 88 3.593 11.357 1.405 1.00 0.00 C ATOM 1329 O LEU A 88 3.998 12.270 2.123 1.00 0.00 O ATOM 1330 CB LEU A 88 2.570 10.180 3.361 1.00 0.00 C ATOM 1331 CG LEU A 88 1.644 9.101 3.922 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.517 9.239 5.431 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.275 9.176 3.261 1.00 0.00 C ATOM 0 H LEU A 88 3.229 8.564 1.361 1.00 0.00 H new ATOM 0 HA LEU A 88 1.510 10.954 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.599 9.898 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.374 11.111 3.893 1.00 0.00 H new ATOM 0 HG LEU A 88 2.079 8.126 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.854 8.463 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.500 9.135 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.106 10.219 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.371 8.400 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.167 10.154 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.381 9.027 2.186 1.00 0.00 H new ATOM 1345 N GLY A 89 4.105 11.101 0.204 1.00 0.00 N ATOM 1346 CA GLY A 89 5.190 11.904 -0.327 1.00 0.00 C ATOM 1347 C GLY A 89 5.031 13.377 -0.006 1.00 0.00 C ATOM 1348 O GLY A 89 5.921 13.991 0.585 1.00 0.00 O ATOM 0 H GLY A 89 3.787 10.351 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.136 11.546 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.239 11.774 -1.408 1.00 0.00 H new ATOM 1352 N LEU A 90 3.898 13.947 -0.398 1.00 0.00 N ATOM 1353 CA LEU A 90 3.625 15.359 -0.150 1.00 0.00 C ATOM 1354 C LEU A 90 3.117 15.574 1.271 1.00 0.00 C ATOM 1355 O LEU A 90 3.502 16.533 1.942 1.00 0.00 O ATOM 1356 CB LEU A 90 2.600 15.885 -1.156 1.00 0.00 C ATOM 1357 CG LEU A 90 3.117 16.132 -2.574 1.00 0.00 C ATOM 1358 CD1 LEU A 90 1.957 16.335 -3.537 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.049 17.334 -2.600 1.00 0.00 C ATOM 0 H LEU A 90 3.153 13.454 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 90 4.558 15.910 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.776 15.174 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.190 16.819 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 90 3.679 15.254 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.344 16.509 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.327 15.446 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.368 17.196 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.407 17.495 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.511 18.219 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.898 17.151 -1.941 1.00 0.00 H new ATOM 1371 N PHE A 91 2.250 14.675 1.727 1.00 0.00 N ATOM 1372 CA PHE A 91 1.690 14.766 3.070 1.00 0.00 C ATOM 1373 C PHE A 91 2.792 14.720 4.124 1.00 0.00 C ATOM 1374 O PHE A 91 3.229 13.645 4.535 1.00 0.00 O ATOM 1375 CB PHE A 91 0.694 13.629 3.308 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.263 13.896 4.434 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.088 13.603 5.742 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.513 14.439 4.185 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.791 13.847 6.781 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.396 14.685 5.220 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.034 14.390 6.519 1.00 0.00 C ATOM 0 H PHE A 91 1.920 13.876 1.186 1.00 0.00 H new ATOM 0 HA PHE A 91 1.170 15.720 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.127 13.456 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.245 12.713 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.059 13.179 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.801 14.673 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.506 13.613 7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.368 15.108 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.721 14.583 7.329 1.00 0.00 H new ATOM 1391 N ASP A 92 3.238 15.894 4.557 1.00 0.00 N ATOM 1392 CA ASP A 92 4.289 15.990 5.563 1.00 0.00 C ATOM 1393 C ASP A 92 3.812 16.786 6.774 1.00 0.00 C ATOM 1394 O ASP A 92 4.499 17.693 7.243 1.00 0.00 O ATOM 1395 CB ASP A 92 5.537 16.643 4.967 1.00 0.00 C ATOM 1396 CG ASP A 92 6.634 16.840 5.995 1.00 0.00 C ATOM 1397 OD1 ASP A 92 7.032 15.845 6.636 1.00 0.00 O ATOM 1398 OD2 ASP A 92 7.094 17.990 6.158 1.00 0.00 O ATOM 0 H ASP A 92 2.888 16.793 4.227 1.00 0.00 H new ATOM 0 HA ASP A 92 4.538 14.980 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.913 16.024 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.269 17.608 4.537 1.00 0.00 H new ATOM 1403 N ASP A 93 2.630 16.440 7.274 1.00 0.00 N ATOM 1404 CA ASP A 93 2.060 17.123 8.430 1.00 0.00 C ATOM 1405 C ASP A 93 2.048 18.633 8.218 1.00 0.00 C ATOM 1406 O ASP A 93 2.309 19.402 9.143 1.00 0.00 O ATOM 1407 CB ASP A 93 2.852 16.779 9.693 1.00 0.00 C ATOM 1408 CG ASP A 93 2.023 16.926 10.953 1.00 0.00 C ATOM 1409 OD1 ASP A 93 1.819 18.075 11.399 1.00 0.00 O ATOM 1410 OD2 ASP A 93 1.577 15.892 11.494 1.00 0.00 O ATOM 0 H ASP A 93 2.049 15.691 6.897 1.00 0.00 H new ATOM 0 HA ASP A 93 1.031 16.784 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.219 15.755 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.726 17.427 9.759 1.00 0.00 H new ATOM 1415 N ARG A 94 1.744 19.051 6.993 1.00 0.00 N ATOM 1416 CA ARG A 94 1.700 20.470 6.659 1.00 0.00 C ATOM 1417 C ARG A 94 0.325 21.057 6.963 1.00 0.00 C ATOM 1418 O ARG A 94 -0.228 21.814 6.164 1.00 0.00 O ATOM 1419 CB ARG A 94 2.042 20.679 5.183 1.00 0.00 C ATOM 1420 CG ARG A 94 3.525 20.554 4.877 1.00 0.00 C ATOM 1421 CD ARG A 94 4.243 21.884 5.046 1.00 0.00 C ATOM 1422 NE ARG A 94 4.172 22.701 3.837 1.00 0.00 N ATOM 1423 CZ ARG A 94 4.328 24.020 3.832 1.00 0.00 C ATOM 1424 NH1 ARG A 94 4.564 24.668 4.965 1.00 0.00 N ATOM 1425 NH2 ARG A 94 4.250 24.694 2.692 1.00 0.00 N ATOM 0 H ARG A 94 1.525 18.428 6.216 1.00 0.00 H new ATOM 0 HA ARG A 94 2.439 20.986 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.494 19.951 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.698 21.667 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.972 19.811 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.658 20.195 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.802 22.431 5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.287 21.703 5.300 1.00 0.00 H new ATOM 0 HE ARG A 94 3.993 22.233 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.626 24.153 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.683 25.681 4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.070 24.199 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.370 25.707 2.689 1.00 0.00 H new ATOM 1439 N SER A 95 -0.221 20.703 8.121 1.00 0.00 N ATOM 1440 CA SER A 95 -1.534 21.192 8.529 1.00 0.00 C ATOM 1441 C SER A 95 -2.614 20.714 7.564 1.00 0.00 C ATOM 1442 O SER A 95 -3.581 21.427 7.294 1.00 0.00 O ATOM 1443 CB SER A 95 -1.534 22.720 8.596 1.00 0.00 C ATOM 1444 OG SER A 95 -2.768 23.209 9.093 1.00 0.00 O ATOM 0 H SER A 95 0.225 20.079 8.794 1.00 0.00 H new ATOM 0 HA SER A 95 -1.752 20.792 9.519 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.720 23.059 9.237 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.350 23.131 7.603 1.00 0.00 H new ATOM 0 HG SER A 95 -3.507 22.768 8.624 1.00 0.00 H new ATOM 1450 N SER A 96 -2.443 19.501 7.046 1.00 0.00 N ATOM 1451 CA SER A 96 -3.401 18.928 6.108 1.00 0.00 C ATOM 1452 C SER A 96 -4.711 18.585 6.811 1.00 0.00 C ATOM 1453 O SER A 96 -4.888 18.875 7.994 1.00 0.00 O ATOM 1454 CB SER A 96 -2.818 17.675 5.452 1.00 0.00 C ATOM 1455 OG SER A 96 -1.859 18.016 4.466 1.00 0.00 O ATOM 0 H SER A 96 -1.650 18.897 7.260 1.00 0.00 H new ATOM 0 HA SER A 96 -3.606 19.671 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.355 17.045 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.619 17.092 4.998 1.00 0.00 H new ATOM 0 HG SER A 96 -1.472 17.198 4.090 1.00 0.00 H new ATOM 1461 N ALA A 97 -5.626 17.966 6.073 1.00 0.00 N ATOM 1462 CA ALA A 97 -6.920 17.581 6.625 1.00 0.00 C ATOM 1463 C ALA A 97 -7.037 16.065 6.743 1.00 0.00 C ATOM 1464 O ALA A 97 -6.954 15.347 5.746 1.00 0.00 O ATOM 1465 CB ALA A 97 -8.046 18.133 5.764 1.00 0.00 C ATOM 0 H ALA A 97 -5.496 17.720 5.092 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.001 18.005 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.006 17.838 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.981 19.221 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.959 17.736 4.753 1.00 0.00 H new ATOM 1471 N ILE A 98 -7.228 15.584 7.967 1.00 0.00 N ATOM 1472 CA ILE A 98 -7.357 14.154 8.214 1.00 0.00 C ATOM 1473 C ILE A 98 -8.606 13.847 9.033 1.00 0.00 C ATOM 1474 O ILE A 98 -8.910 14.515 10.022 1.00 0.00 O ATOM 1475 CB ILE A 98 -6.125 13.597 8.951 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -4.859 13.830 8.123 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -6.307 12.115 9.243 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -4.817 13.025 6.843 1.00 0.00 C ATOM 0 H ILE A 98 -7.297 16.164 8.803 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.437 13.672 7.240 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.019 14.124 9.899 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.784 14.890 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.988 13.580 8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.428 11.736 9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.189 11.973 9.868 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.435 11.573 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.892 13.240 6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.860 11.962 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.669 13.292 6.217 1.00 0.00 H new ATOM 1490 N PRO A 99 -9.350 12.812 8.613 1.00 0.00 N ATOM 1491 CA PRO A 99 -10.577 12.392 9.295 1.00 0.00 C ATOM 1492 C PRO A 99 -10.299 11.766 10.658 1.00 0.00 C ATOM 1493 O PRO A 99 -9.208 11.252 10.904 1.00 0.00 O ATOM 1494 CB PRO A 99 -11.174 11.353 8.342 1.00 0.00 C ATOM 1495 CG PRO A 99 -10.009 10.824 7.580 1.00 0.00 C ATOM 1496 CD PRO A 99 -9.048 11.973 7.442 1.00 0.00 C ATOM 0 HA PRO A 99 -11.238 13.234 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.682 10.559 8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -11.911 11.803 7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.546 9.989 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.318 10.454 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.012 11.634 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.201 12.515 6.509 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.291 11.813 11.539 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.153 11.250 12.877 1.00 0.00 C ATOM 1506 C ASP A 100 -11.488 9.761 12.876 1.00 0.00 C ATOM 1507 O ASP A 100 -11.992 9.227 13.865 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.061 11.989 13.861 1.00 0.00 C ATOM 1509 CG ASP A 100 -11.374 13.181 14.499 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -11.450 14.287 13.924 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -10.762 13.007 15.573 1.00 0.00 O ATOM 0 H ASP A 100 -12.200 12.235 11.351 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.116 11.371 13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -12.958 12.326 13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.385 11.299 14.641 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.206 9.097 11.761 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.479 7.670 11.631 1.00 0.00 C ATOM 1518 C PHE A 101 -12.764 7.294 12.362 1.00 0.00 C ATOM 1519 O PHE A 101 -12.816 6.287 13.069 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.308 6.853 12.179 1.00 0.00 C ATOM 1521 CG PHE A 101 -8.977 7.532 12.021 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.532 7.928 10.770 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.172 7.773 13.122 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.308 8.553 10.621 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -6.948 8.397 12.979 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.514 8.787 11.727 1.00 0.00 C ATOM 0 H PHE A 101 -10.788 9.524 10.934 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.605 7.444 10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.480 6.650 13.236 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.278 5.889 11.670 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.148 7.746 9.902 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.505 7.470 14.104 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.973 8.858 9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.330 8.580 13.846 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.557 9.274 11.613 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.798 8.110 12.188 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.083 7.864 12.833 1.00 0.00 C ATOM 1538 C ARG A 102 -16.216 7.883 11.812 1.00 0.00 C ATOM 1539 O ARG A 102 -17.226 7.199 11.978 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.342 8.912 13.918 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.991 10.328 13.493 1.00 0.00 C ATOM 1542 CD ARG A 102 -16.165 11.012 12.809 1.00 0.00 C ATOM 1543 NE ARG A 102 -16.074 12.467 12.891 1.00 0.00 N ATOM 1544 CZ ARG A 102 -16.287 13.155 14.007 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -16.600 12.522 15.130 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -16.186 14.478 14.003 1.00 0.00 N ATOM 0 H ARG A 102 -13.772 8.947 11.606 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.048 6.876 13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.394 8.877 14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.764 8.654 14.806 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.690 10.907 14.366 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.137 10.305 12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.201 10.709 11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -17.096 10.680 13.269 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.834 12.983 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.677 11.505 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.763 13.052 15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.944 14.968 13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.350 15.005 14.861 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.041 8.671 10.756 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.049 8.779 9.708 1.00 0.00 C ATOM 1562 C ASP A 103 -16.525 8.214 8.391 1.00 0.00 C ATOM 1563 O ASP A 103 -15.436 8.556 7.930 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.467 10.238 9.521 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.602 10.638 10.442 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.921 9.857 11.364 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.173 11.730 10.242 1.00 0.00 O ATOM 0 H ASP A 103 -15.211 9.244 10.604 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.919 8.197 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.609 10.885 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.770 10.396 8.486 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.317 7.327 7.771 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.954 6.695 6.499 1.00 0.00 C ATOM 1574 C PRO A 104 -16.980 7.679 5.334 1.00 0.00 C ATOM 1575 O PRO A 104 -16.271 7.501 4.344 1.00 0.00 O ATOM 1576 CB PRO A 104 -18.030 5.622 6.315 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.199 6.122 7.092 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.628 6.872 8.263 1.00 0.00 C ATOM 0 HA PRO A 104 -15.938 6.301 6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.281 5.489 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.692 4.654 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.825 6.772 6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.827 5.296 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.262 7.711 8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.528 6.232 9.140 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.799 8.718 5.461 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.916 9.730 4.419 1.00 0.00 C ATOM 1588 C GLN A 105 -16.637 10.554 4.313 1.00 0.00 C ATOM 1589 O GLN A 105 -16.131 10.797 3.217 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.106 10.649 4.701 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.440 10.072 4.254 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.576 10.021 2.745 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.340 11.013 2.054 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.959 8.861 2.224 1.00 0.00 N ATOM 0 H GLN A 105 -18.391 8.881 6.275 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.077 9.219 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.149 10.856 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.945 11.603 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.551 9.066 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -21.249 10.674 4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.144 8.064 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.068 8.767 1.214 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.118 10.981 5.459 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.897 11.776 5.497 1.00 0.00 C ATOM 1605 C LYS A 106 -13.687 10.936 5.101 1.00 0.00 C ATOM 1606 O LYS A 106 -12.844 11.373 4.319 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.688 12.361 6.896 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.837 13.237 7.366 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.829 14.589 6.673 1.00 0.00 C ATOM 1610 CE LYS A 106 -14.815 15.531 7.303 1.00 0.00 C ATOM 1611 NZ LYS A 106 -13.467 15.390 6.685 1.00 0.00 N ATOM 0 H LYS A 106 -16.525 10.789 6.375 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.002 12.591 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.550 11.545 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.769 12.947 6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.783 12.733 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.769 13.380 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.597 14.456 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.823 15.033 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.159 16.560 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.747 15.329 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.850 14.842 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.553 14.897 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.055 16.333 6.531 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.609 9.725 5.646 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.504 8.822 5.347 1.00 0.00 C ATOM 1627 C VAL A 107 -12.532 8.384 3.887 1.00 0.00 C ATOM 1628 O VAL A 107 -11.541 8.515 3.168 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.540 7.574 6.248 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.439 6.600 5.855 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.417 7.969 7.711 1.00 0.00 C ATOM 0 H VAL A 107 -14.298 9.347 6.297 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.583 9.373 5.540 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.499 7.075 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.480 5.724 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.578 6.292 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.469 7.085 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.444 7.074 8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.474 8.492 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.245 8.624 7.982 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.675 7.862 3.454 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.835 7.405 2.079 1.00 0.00 C ATOM 1643 C LYS A 108 -13.311 8.446 1.095 1.00 0.00 C ATOM 1644 O LYS A 108 -12.498 8.136 0.225 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.308 7.107 1.787 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.594 6.832 0.321 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.954 6.182 0.130 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.031 5.427 -1.188 1.00 0.00 C ATOM 1649 NZ LYS A 108 -18.254 4.582 -1.272 1.00 0.00 N ATOM 0 H LYS A 108 -14.504 7.745 4.036 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.254 6.491 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.620 6.245 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.913 7.953 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.554 7.766 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.819 6.183 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.150 5.497 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.731 6.946 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.023 6.137 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.147 4.799 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.270 4.084 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.250 3.887 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.098 5.184 -1.192 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.783 9.680 1.239 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.360 10.766 0.362 1.00 0.00 C ATOM 1665 C GLU A 109 -11.841 10.901 0.358 1.00 0.00 C ATOM 1666 O GLU A 109 -11.214 10.957 -0.701 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.000 12.085 0.802 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.404 12.291 0.260 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.412 12.690 -1.203 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -14.745 12.006 -2.008 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.085 13.685 -1.543 1.00 0.00 O ATOM 0 H GLU A 109 -14.458 9.953 1.954 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.689 10.531 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.032 12.118 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.369 12.912 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.976 11.372 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.906 13.061 0.846 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.254 10.955 1.549 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.807 11.086 1.683 1.00 0.00 C ATOM 1680 C PHE A 110 -9.089 9.961 0.944 1.00 0.00 C ATOM 1681 O PHE A 110 -8.188 10.207 0.140 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.408 11.077 3.160 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.923 11.044 3.380 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.229 9.845 3.334 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.220 12.211 3.632 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.862 9.811 3.536 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.853 12.183 3.833 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.174 10.981 3.786 1.00 0.00 C ATOM 0 H PHE A 110 -11.757 10.910 2.435 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.510 12.036 1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.819 11.963 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.858 10.211 3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.763 8.927 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.746 13.153 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.333 8.870 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.316 13.100 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.106 10.957 3.945 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.492 8.726 1.222 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.887 7.562 0.584 1.00 0.00 C ATOM 1700 C LEU A 111 -8.863 7.723 -0.932 1.00 0.00 C ATOM 1701 O LEU A 111 -7.926 7.282 -1.597 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.654 6.293 0.962 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.180 5.574 2.225 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.115 4.424 2.568 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.755 5.070 2.049 1.00 0.00 C ATOM 0 H LEU A 111 -10.235 8.505 1.885 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.859 7.477 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.705 6.552 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.596 5.595 0.127 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.194 6.285 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.761 3.924 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.120 4.810 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.134 3.712 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.434 4.561 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.716 4.375 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.093 5.913 1.852 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.898 8.358 -1.472 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.994 8.578 -2.910 1.00 0.00 C ATOM 1719 C GLN A 112 -8.931 9.564 -3.382 1.00 0.00 C ATOM 1720 O GLN A 112 -8.380 9.421 -4.473 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.386 9.097 -3.276 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.504 8.119 -2.953 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.690 8.260 -3.887 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.667 9.060 -4.822 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.736 7.480 -3.637 1.00 0.00 N ATOM 0 H GLN A 112 -10.682 8.729 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.826 7.624 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.567 10.032 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.411 9.326 -4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.119 7.101 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.834 8.276 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.712 6.831 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.563 7.530 -4.231 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.648 10.564 -2.553 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.651 11.574 -2.887 1.00 0.00 C ATOM 1736 C GLU A 113 -6.242 10.994 -2.809 1.00 0.00 C ATOM 1737 O GLU A 113 -5.278 11.612 -3.263 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.773 12.775 -1.946 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.118 13.477 -2.027 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.024 14.956 -1.704 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.491 15.296 -0.628 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.484 15.773 -2.529 1.00 0.00 O ATOM 0 H GLU A 113 -9.095 10.696 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.834 11.903 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.608 12.442 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.984 13.490 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.529 13.353 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.814 13.001 -1.336 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.130 9.804 -2.231 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.840 9.138 -2.093 1.00 0.00 C ATOM 1751 C LYS A 114 -4.627 8.126 -3.215 1.00 0.00 C ATOM 1752 O LYS A 114 -3.498 7.897 -3.651 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.747 8.437 -0.736 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.332 8.351 -0.191 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.274 7.526 1.083 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.167 8.007 2.009 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.601 9.169 2.833 1.00 0.00 N ATOM 0 H LYS A 114 -6.918 9.280 -1.850 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.060 9.896 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.372 8.969 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.154 7.430 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.678 7.908 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.956 9.355 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.232 7.584 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.110 6.478 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.861 7.191 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.295 8.286 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.181 10.041 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.638 9.244 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.287 9.034 3.815 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.717 7.526 -3.679 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.649 6.538 -4.749 1.00 0.00 C ATOM 1773 C TYR A 115 -6.434 7.005 -5.971 1.00 0.00 C ATOM 1774 O TYR A 115 -5.944 6.941 -7.098 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.190 5.192 -4.265 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.695 4.799 -2.892 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.397 5.091 -2.489 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.525 4.136 -1.996 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.941 4.733 -1.236 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.077 3.775 -0.740 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.784 4.076 -0.365 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.333 3.718 0.886 1.00 0.00 O ATOM 0 H TYR A 115 -6.659 7.706 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.604 6.420 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.279 5.231 -4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.908 4.418 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.734 5.607 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.538 3.899 -2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.929 4.966 -0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.735 3.260 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.406 4.016 0.997 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.656 7.475 -5.738 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.509 7.952 -6.819 1.00 0.00 C ATOM 1794 C GLU A 116 -7.913 9.195 -7.475 1.00 0.00 C ATOM 1795 O GLU A 116 -8.063 9.409 -8.678 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.912 8.263 -6.293 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.012 8.024 -7.314 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.279 9.242 -8.178 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.106 10.085 -7.773 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -10.662 9.350 -9.258 1.00 0.00 O ATOM 0 H GLU A 116 -8.076 7.535 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.576 7.163 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.105 7.649 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.947 9.303 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.735 7.184 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.929 7.742 -6.796 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.238 10.012 -6.674 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.618 11.234 -7.174 1.00 0.00 C ATOM 1809 C LYS A 117 -5.098 11.156 -7.067 1.00 0.00 C ATOM 1810 O LYS A 117 -4.378 11.818 -7.814 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.133 12.447 -6.395 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.640 12.452 -6.205 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.360 12.880 -7.472 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.870 12.773 -7.318 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.436 13.938 -6.582 1.00 0.00 N ATOM 0 H LYS A 117 -7.106 9.850 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.886 11.344 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.652 12.472 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.838 13.356 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.974 11.456 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.903 13.127 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.090 13.907 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.033 12.258 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.332 12.706 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.117 11.853 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.467 13.828 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.014 13.987 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.223 14.814 -7.101 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.616 10.342 -6.134 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.182 10.174 -5.931 1.00 0.00 C ATOM 1831 C LYS A 118 -2.508 11.519 -5.675 1.00 0.00 C ATOM 1832 O LYS A 118 -1.454 11.812 -6.239 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.549 9.498 -7.149 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.926 8.034 -7.297 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.498 7.482 -8.646 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.082 6.930 -8.599 1.00 0.00 C ATOM 1837 NZ LYS A 118 -0.400 7.038 -9.919 1.00 0.00 N ATOM 0 H LYS A 118 -5.198 9.788 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.036 9.541 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.850 10.035 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.464 9.580 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.458 7.455 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.004 7.922 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.186 6.695 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.558 8.269 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.506 7.470 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.110 5.885 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -0.223 6.086 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.005 7.566 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 0.504 7.538 -9.803 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.122 12.330 -4.820 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.581 13.643 -4.489 1.00 0.00 C ATOM 1853 C ARG A 119 -1.146 13.527 -3.983 1.00 0.00 C ATOM 1854 O ARG A 119 -0.205 13.951 -4.654 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.453 14.326 -3.434 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.046 15.762 -3.146 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.188 16.550 -2.522 1.00 0.00 C ATOM 1858 NE ARG A 119 -3.997 17.991 -2.657 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.953 18.884 -2.429 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.162 18.486 -2.057 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.702 20.179 -2.574 1.00 0.00 N ATOM 0 H ARG A 119 -3.994 12.101 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.580 14.248 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.491 14.311 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.407 13.751 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.187 15.770 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.732 16.245 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.127 16.263 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.271 16.293 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.078 18.331 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.360 17.492 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.894 19.174 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.774 20.490 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.437 20.864 -2.399 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.988 12.953 -2.796 1.00 0.00 N ATOM 1876 CA TRP A 120 0.332 12.782 -2.200 1.00 0.00 C ATOM 1877 C TRP A 120 1.006 11.518 -2.722 1.00 0.00 C ATOM 1878 O TRP A 120 1.610 10.765 -1.958 1.00 0.00 O ATOM 1879 CB TRP A 120 0.222 12.724 -0.675 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.748 13.718 -0.111 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.469 14.986 0.310 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.152 13.524 0.094 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.615 15.593 0.765 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.661 14.718 0.643 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.028 12.460 -0.134 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -4.006 14.873 0.966 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.363 12.616 0.188 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.842 13.815 0.733 1.00 0.00 C ATOM 0 H TRP A 120 -1.757 12.598 -2.227 1.00 0.00 H new ATOM 0 HA TRP A 120 0.944 13.639 -2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.083 11.721 -0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.206 12.900 -0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.508 15.445 0.289 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.676 16.542 1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.669 11.532 -0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.377 15.796 1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.049 11.800 0.017 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.891 13.906 0.974 1.00 0.00 H new ATOM 1899 N TYR A 121 0.900 11.292 -4.026 1.00 0.00 N ATOM 1900 CA TYR A 121 1.498 10.118 -4.650 1.00 0.00 C ATOM 1901 C TYR A 121 2.930 10.405 -5.091 1.00 0.00 C ATOM 1902 O TYR A 121 3.168 11.236 -5.967 1.00 0.00 O ATOM 1903 CB TYR A 121 0.663 9.670 -5.851 1.00 0.00 C ATOM 1904 CG TYR A 121 1.338 8.618 -6.700 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.784 7.426 -6.141 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.531 8.814 -8.062 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.402 6.462 -6.913 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.147 7.855 -8.842 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.582 6.681 -8.263 1.00 0.00 C ATOM 1910 OH TYR A 121 3.196 5.723 -9.036 1.00 0.00 O ATOM 0 H TYR A 121 0.405 11.907 -4.672 1.00 0.00 H new ATOM 0 HA TYR A 121 1.518 9.317 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.290 9.280 -5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.440 10.538 -6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.645 7.251 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.193 9.733 -8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.743 5.542 -6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.287 8.023 -9.900 1.00 0.00 H new ATOM 0 HH TYR A 121 3.243 6.033 -9.965 1.00 0.00 H new ATOM 1920 N VAL A 122 3.882 9.709 -4.476 1.00 0.00 N ATOM 1921 CA VAL A 122 5.291 9.887 -4.805 1.00 0.00 C ATOM 1922 C VAL A 122 6.037 8.557 -4.764 1.00 0.00 C ATOM 1923 O VAL A 122 6.333 8.016 -3.699 1.00 0.00 O ATOM 1924 CB VAL A 122 5.973 10.875 -3.840 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.465 10.953 -4.122 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.329 12.249 -3.944 1.00 0.00 C ATOM 0 H VAL A 122 3.703 9.017 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 122 5.331 10.292 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 122 5.840 10.512 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.930 11.656 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.912 9.967 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.625 11.292 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.823 12.935 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.430 12.622 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.272 12.176 -3.688 1.00 0.00 H new ATOM 1936 N PRO A 123 6.349 8.017 -5.951 1.00 0.00 N ATOM 1937 CA PRO A 123 7.065 6.744 -6.078 1.00 0.00 C ATOM 1938 C PRO A 123 8.520 6.851 -5.634 1.00 0.00 C ATOM 1939 O PRO A 123 9.145 7.909 -5.720 1.00 0.00 O ATOM 1940 CB PRO A 123 6.985 6.440 -7.576 1.00 0.00 C ATOM 1941 CG PRO A 123 6.823 7.771 -8.225 1.00 0.00 C ATOM 1942 CD PRO A 123 6.028 8.608 -7.261 1.00 0.00 C ATOM 0 HA PRO A 123 6.631 5.968 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.886 5.936 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.144 5.784 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.792 8.226 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.306 7.679 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.315 9.658 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.960 8.560 -7.473 1.00 0.00 H new ATOM 1950 N PRO A 124 9.075 5.731 -5.146 1.00 0.00 N ATOM 1951 CA PRO A 124 10.463 5.674 -4.679 1.00 0.00 C ATOM 1952 C PRO A 124 11.464 5.789 -5.824 1.00 0.00 C ATOM 1953 O PRO A 124 12.494 6.449 -5.694 1.00 0.00 O ATOM 1954 CB PRO A 124 10.559 4.295 -4.021 1.00 0.00 C ATOM 1955 CG PRO A 124 9.506 3.481 -4.691 1.00 0.00 C ATOM 1956 CD PRO A 124 8.389 4.435 -5.014 1.00 0.00 C ATOM 0 HA PRO A 124 10.702 6.499 -4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.547 3.857 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.388 4.356 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.892 3.011 -5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.159 2.679 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.876 4.156 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.638 4.456 -4.224 1.00 0.00 H new ATOM 1964 N GLU A 125 11.154 5.141 -6.943 1.00 0.00 N ATOM 1965 CA GLU A 125 12.029 5.172 -8.109 1.00 0.00 C ATOM 1966 C GLU A 125 12.589 6.573 -8.333 1.00 0.00 C ATOM 1967 O GLU A 125 13.716 6.734 -8.801 1.00 0.00 O ATOM 1968 CB GLU A 125 11.270 4.709 -9.355 1.00 0.00 C ATOM 1969 CG GLU A 125 10.959 3.222 -9.361 1.00 0.00 C ATOM 1970 CD GLU A 125 12.103 2.389 -9.906 1.00 0.00 C ATOM 1971 OE1 GLU A 125 12.275 2.355 -11.143 1.00 0.00 O ATOM 1972 OE2 GLU A 125 12.826 1.771 -9.097 1.00 0.00 O ATOM 0 H GLU A 125 10.305 4.589 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 125 12.861 4.493 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.337 5.267 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.858 4.952 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.730 2.898 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.067 3.044 -9.961 1.00 0.00 H new ATOM 1979 N GLN A 126 11.794 7.583 -7.995 1.00 0.00 N ATOM 1980 CA GLN A 126 12.210 8.971 -8.160 1.00 0.00 C ATOM 1981 C GLN A 126 12.554 9.600 -6.814 1.00 0.00 C ATOM 1982 O GLN A 126 13.521 10.351 -6.698 1.00 0.00 O ATOM 1983 CB GLN A 126 11.106 9.778 -8.846 1.00 0.00 C ATOM 1984 CG GLN A 126 11.485 11.227 -9.106 1.00 0.00 C ATOM 1985 CD GLN A 126 12.743 11.361 -9.941 1.00 0.00 C ATOM 1986 OE1 GLN A 126 12.848 10.783 -11.023 1.00 0.00 O ATOM 1987 NE2 GLN A 126 13.706 12.127 -9.442 1.00 0.00 N ATOM 0 H GLN A 126 10.859 7.466 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 126 13.103 8.985 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.854 9.301 -9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.209 9.751 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 126 10.661 11.728 -9.614 1.00 0.00 H new ATOM 0 HG3 GLN A 126 11.630 11.737 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 126 13.576 12.587 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 126 14.576 12.255 -9.960 1.00 0.00 H new ATOM 1996 N ALA A 127 11.755 9.287 -5.799 1.00 0.00 N ATOM 1997 CA ALA A 127 11.976 9.821 -4.460 1.00 0.00 C ATOM 1998 C ALA A 127 13.246 9.246 -3.843 1.00 0.00 C ATOM 1999 O ALA A 127 13.986 8.508 -4.494 1.00 0.00 O ATOM 2000 CB ALA A 127 10.776 9.529 -3.571 1.00 0.00 C ATOM 0 H ALA A 127 10.949 8.667 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 127 12.100 10.901 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.954 9.933 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 127 9.886 9.993 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 127 10.626 8.451 -3.504 1.00 0.00 H new ATOM 2006 N LYS A 128 13.494 9.589 -2.583 1.00 0.00 N ATOM 2007 CA LYS A 128 14.675 9.106 -1.877 1.00 0.00 C ATOM 2008 C LYS A 128 14.285 8.139 -0.764 1.00 0.00 C ATOM 2009 O LYS A 128 13.329 8.379 -0.026 1.00 0.00 O ATOM 2010 CB LYS A 128 15.460 10.283 -1.293 1.00 0.00 C ATOM 2011 CG LYS A 128 14.582 11.338 -0.643 1.00 0.00 C ATOM 2012 CD LYS A 128 14.138 12.388 -1.647 1.00 0.00 C ATOM 2013 CE LYS A 128 15.147 13.522 -1.753 1.00 0.00 C ATOM 2014 NZ LYS A 128 14.515 14.785 -2.224 1.00 0.00 N ATOM 0 H LYS A 128 12.893 10.200 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 128 15.304 8.575 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 128 16.168 9.906 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.045 10.748 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 128 13.706 10.862 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.128 11.818 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.006 11.925 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 128 13.169 12.789 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.610 13.688 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.943 13.236 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.235 15.533 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.095 14.634 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.772 15.072 -1.555 1.00 0.00 H new ATOM 2028 N SER A 129 15.033 7.046 -0.648 1.00 0.00 N ATOM 2029 CA SER A 129 14.764 6.041 0.374 1.00 0.00 C ATOM 2030 C SER A 129 15.686 6.227 1.575 1.00 0.00 C ATOM 2031 O SER A 129 16.720 5.570 1.686 1.00 0.00 O ATOM 2032 CB SER A 129 14.938 4.635 -0.204 1.00 0.00 C ATOM 2033 OG SER A 129 14.437 3.652 0.685 1.00 0.00 O ATOM 0 H SER A 129 15.830 6.834 -1.249 1.00 0.00 H new ATOM 0 HA SER A 129 13.733 6.164 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 129 14.418 4.564 -1.159 1.00 0.00 H new ATOM 0 HB3 SER A 129 15.994 4.448 -0.401 1.00 0.00 H new ATOM 0 HG SER A 129 14.559 2.763 0.292 1.00 0.00 H new ATOM 2039 N GLY A 130 15.303 7.129 2.473 1.00 0.00 N ATOM 2040 CA GLY A 130 16.106 7.387 3.655 1.00 0.00 C ATOM 2041 C GLY A 130 17.248 8.346 3.382 1.00 0.00 C ATOM 2042 O GLY A 130 18.165 8.050 2.615 1.00 0.00 O ATOM 0 H GLY A 130 14.451 7.686 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 130 15.471 7.798 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 130 16.508 6.446 4.030 1.00 0.00 H new ATOM 2046 N PRO A 131 17.200 9.525 4.018 1.00 0.00 N ATOM 2047 CA PRO A 131 18.231 10.555 3.855 1.00 0.00 C ATOM 2048 C PRO A 131 19.557 10.154 4.491 1.00 0.00 C ATOM 2049 O PRO A 131 20.528 10.910 4.455 1.00 0.00 O ATOM 2050 CB PRO A 131 17.638 11.768 4.575 1.00 0.00 C ATOM 2051 CG PRO A 131 16.696 11.192 5.575 1.00 0.00 C ATOM 2052 CD PRO A 131 16.137 9.945 4.947 1.00 0.00 C ATOM 0 HA PRO A 131 18.463 10.736 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 131 18.415 12.360 5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 131 17.121 12.428 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 131 17.210 10.962 6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 131 15.901 11.898 5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 131 15.929 9.178 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 131 15.201 10.143 4.424 1.00 0.00 H new ATOM 2060 N SER A 132 19.592 8.960 5.074 1.00 0.00 N ATOM 2061 CA SER A 132 20.799 8.459 5.722 1.00 0.00 C ATOM 2062 C SER A 132 21.393 7.294 4.937 1.00 0.00 C ATOM 2063 O SER A 132 20.666 6.464 4.391 1.00 0.00 O ATOM 2064 CB SER A 132 20.489 8.020 7.154 1.00 0.00 C ATOM 2065 OG SER A 132 21.680 7.735 7.868 1.00 0.00 O ATOM 0 H SER A 132 18.798 8.321 5.111 1.00 0.00 H new ATOM 0 HA SER A 132 21.531 9.267 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 132 19.933 8.805 7.666 1.00 0.00 H new ATOM 0 HB3 SER A 132 19.851 7.136 7.137 1.00 0.00 H new ATOM 0 HG SER A 132 21.456 7.458 8.781 1.00 0.00 H new ATOM 2071 N SER A 133 22.720 7.239 4.886 1.00 0.00 N ATOM 2072 CA SER A 133 23.414 6.177 4.165 1.00 0.00 C ATOM 2073 C SER A 133 22.674 4.850 4.308 1.00 0.00 C ATOM 2074 O SER A 133 22.234 4.486 5.398 1.00 0.00 O ATOM 2075 CB SER A 133 24.847 6.034 4.681 1.00 0.00 C ATOM 2076 OG SER A 133 25.500 4.934 4.073 1.00 0.00 O ATOM 0 H SER A 133 23.336 7.917 5.335 1.00 0.00 H new ATOM 0 HA SER A 133 23.441 6.446 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 133 25.403 6.949 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 133 24.836 5.902 5.763 1.00 0.00 H new ATOM 0 HG SER A 133 26.415 4.865 4.418 1.00 0.00 H new ATOM 2082 N GLY A 134 22.542 4.131 3.197 1.00 0.00 N ATOM 2083 CA GLY A 134 21.856 2.853 3.219 1.00 0.00 C ATOM 2084 C GLY A 134 22.635 1.789 3.966 1.00 0.00 C ATOM 2085 O GLY A 134 23.083 2.047 5.082 1.00 0.00 O ATOM 0 H GLY A 134 22.898 4.411 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 134 20.878 2.977 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 134 21.682 2.520 2.196 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.698 0.455 8.890 1.00 0.00 ZN