USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=33 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 114 LYS NZ :NH3+ -128:sc= -1.57 (180deg=-4.19!) USER MOD Set 1.2: A 115 TYR OH : rot 146:sc= 0.683 USER MOD Set 2.1: A 35 ASN : amide:sc= -2.78 K(o=-6.5,f=-21!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -3.68! C(o=-6.5!,f=-13!) USER MOD Set 3.1: A 33 TYR OH : rot -86:sc= 0.795 USER MOD Set 3.2: A 44 THR OG1 : rot 71:sc= 0.134 USER MOD Set 3.3: A 61 SER OG : rot -47:sc= 1.79 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.143 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -76:sc= 0.00349 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -129:sc= -2.42 (180deg=-3.63!) USER MOD Single : A 15 THR OG1 : rot -56:sc= 1.27 USER MOD Single : A 19 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-9!) USER MOD Single : A 20 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -144:sc= -1.28 (180deg=-2.16!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -18:sc= -1.81 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.0304 USER MOD Single : A 69 GLN : amide:sc= -0.961 K(o=-0.96,f=-3.1!) USER MOD Single : A 70 GLN : amide:sc= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 76 GLN : amide:sc= -0.752 X(o=-0.75,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.5 K(o=-0.5,f=-1.2) USER MOD Single : A 80 ASN : amide:sc= -0.938 K(o=-0.94,f=-8.9!) USER MOD Single : A 83 CYS SG : rot -117:sc= -1.01 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.405 K(o=0.4,f=-0.26) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -2.21! X(o=-2.2!,f=-1.9) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -119:sc= 1.36 (180deg=0.0325) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.56) USER MOD Single : A 128 LYS NZ :NH3+ -159:sc= -1.31 (180deg=-2.32!) 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 22:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.767 -29.204 -3.274 1.00 0.00 N ATOM 2 CA GLY A 1 6.396 -29.245 -1.967 1.00 0.00 C ATOM 3 C GLY A 1 6.045 -28.040 -1.117 1.00 0.00 C ATOM 4 O GLY A 1 6.512 -26.931 -1.378 1.00 0.00 O ATOM 0 H1 GLY A 1 6.038 -30.049 -3.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.733 -29.182 -3.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.078 -28.352 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.090 -30.153 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.478 -29.297 -2.089 1.00 0.00 H new ATOM 8 N SER A 2 5.218 -28.256 -0.099 1.00 0.00 N ATOM 9 CA SER A 2 4.801 -27.177 0.789 1.00 0.00 C ATOM 10 C SER A 2 4.525 -27.705 2.194 1.00 0.00 C ATOM 11 O SER A 2 3.630 -28.525 2.396 1.00 0.00 O ATOM 12 CB SER A 2 3.551 -26.488 0.236 1.00 0.00 C ATOM 13 OG SER A 2 3.897 -25.441 -0.653 1.00 0.00 O ATOM 0 H SER A 2 4.824 -29.168 0.131 1.00 0.00 H new ATOM 0 HA SER A 2 5.613 -26.452 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.929 -27.218 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.958 -26.089 1.059 1.00 0.00 H new ATOM 0 HG SER A 2 4.766 -25.634 -1.063 1.00 0.00 H new ATOM 19 N SER A 3 5.302 -27.227 3.161 1.00 0.00 N ATOM 20 CA SER A 3 5.146 -27.653 4.547 1.00 0.00 C ATOM 21 C SER A 3 3.813 -27.175 5.115 1.00 0.00 C ATOM 22 O SER A 3 3.279 -26.149 4.696 1.00 0.00 O ATOM 23 CB SER A 3 6.298 -27.119 5.400 1.00 0.00 C ATOM 24 OG SER A 3 6.424 -27.854 6.605 1.00 0.00 O ATOM 0 H SER A 3 6.045 -26.545 3.010 1.00 0.00 H new ATOM 0 HA SER A 3 5.161 -28.743 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.229 -27.177 4.836 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.128 -26.067 5.628 1.00 0.00 H new ATOM 0 HG SER A 3 7.168 -27.494 7.131 1.00 0.00 H new ATOM 30 N GLY A 4 3.281 -27.928 6.074 1.00 0.00 N ATOM 31 CA GLY A 4 2.015 -27.566 6.684 1.00 0.00 C ATOM 32 C GLY A 4 1.839 -26.065 6.807 1.00 0.00 C ATOM 33 O GLY A 4 0.864 -25.505 6.306 1.00 0.00 O ATOM 0 H GLY A 4 3.704 -28.781 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.198 -27.977 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.949 -28.019 7.673 1.00 0.00 H new ATOM 37 N SER A 5 2.784 -25.413 7.477 1.00 0.00 N ATOM 38 CA SER A 5 2.725 -23.968 7.669 1.00 0.00 C ATOM 39 C SER A 5 4.049 -23.315 7.285 1.00 0.00 C ATOM 40 O SER A 5 5.026 -23.380 8.031 1.00 0.00 O ATOM 41 CB SER A 5 2.385 -23.639 9.124 1.00 0.00 C ATOM 42 OG SER A 5 1.099 -24.125 9.469 1.00 0.00 O ATOM 0 H SER A 5 3.599 -25.862 7.896 1.00 0.00 H new ATOM 0 HA SER A 5 1.943 -23.572 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.133 -24.079 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.422 -22.560 9.275 1.00 0.00 H new ATOM 0 HG SER A 5 0.906 -23.904 10.404 1.00 0.00 H new ATOM 48 N SER A 6 4.074 -22.686 6.114 1.00 0.00 N ATOM 49 CA SER A 6 5.278 -22.023 5.627 1.00 0.00 C ATOM 50 C SER A 6 4.992 -20.568 5.272 1.00 0.00 C ATOM 51 O SER A 6 5.900 -19.808 4.937 1.00 0.00 O ATOM 52 CB SER A 6 5.832 -22.759 4.406 1.00 0.00 C ATOM 53 OG SER A 6 4.793 -23.386 3.674 1.00 0.00 O ATOM 0 H SER A 6 3.274 -22.622 5.485 1.00 0.00 H new ATOM 0 HA SER A 6 6.022 -22.044 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.361 -22.056 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.558 -23.506 4.726 1.00 0.00 H new ATOM 0 HG SER A 6 4.502 -24.194 4.146 1.00 0.00 H new ATOM 59 N GLY A 7 3.720 -20.186 5.346 1.00 0.00 N ATOM 60 CA GLY A 7 3.335 -18.823 5.029 1.00 0.00 C ATOM 61 C GLY A 7 2.624 -18.139 6.180 1.00 0.00 C ATOM 62 O GLY A 7 2.533 -16.911 6.222 1.00 0.00 O ATOM 0 H GLY A 7 2.950 -20.796 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.223 -18.250 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.684 -18.827 4.155 1.00 0.00 H new ATOM 66 N LEU A 8 2.116 -18.934 7.116 1.00 0.00 N ATOM 67 CA LEU A 8 1.408 -18.397 8.273 1.00 0.00 C ATOM 68 C LEU A 8 2.388 -17.910 9.334 1.00 0.00 C ATOM 69 O LEU A 8 2.154 -16.897 9.994 1.00 0.00 O ATOM 70 CB LEU A 8 0.482 -19.461 8.867 1.00 0.00 C ATOM 71 CG LEU A 8 -0.948 -19.483 8.327 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.699 -18.232 8.754 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.944 -19.614 6.811 1.00 0.00 C ATOM 0 H LEU A 8 2.181 -19.952 7.096 1.00 0.00 H new ATOM 0 HA LEU A 8 0.811 -17.548 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.929 -20.440 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.439 -19.315 9.946 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.460 -20.350 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.715 -18.265 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.733 -18.182 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.188 -17.351 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.970 -19.628 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.414 -18.768 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.445 -20.540 6.527 1.00 0.00 H new ATOM 85 N LYS A 9 3.490 -18.636 9.493 1.00 0.00 N ATOM 86 CA LYS A 9 4.509 -18.277 10.472 1.00 0.00 C ATOM 87 C LYS A 9 5.037 -16.869 10.216 1.00 0.00 C ATOM 88 O LYS A 9 5.333 -16.127 11.152 1.00 0.00 O ATOM 89 CB LYS A 9 5.663 -19.281 10.429 1.00 0.00 C ATOM 90 CG LYS A 9 6.634 -19.142 11.588 1.00 0.00 C ATOM 91 CD LYS A 9 7.350 -20.451 11.876 1.00 0.00 C ATOM 92 CE LYS A 9 6.482 -21.391 12.699 1.00 0.00 C ATOM 93 NZ LYS A 9 7.300 -22.344 13.499 1.00 0.00 N ATOM 0 H LYS A 9 3.700 -19.477 8.956 1.00 0.00 H new ATOM 0 HA LYS A 9 4.051 -18.301 11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.254 -20.291 10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.207 -19.156 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.367 -18.368 11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.095 -18.817 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.621 -20.933 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.278 -20.249 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.847 -20.808 13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.820 -21.948 12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.672 -22.967 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.887 -22.918 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.913 -21.813 14.150 1.00 0.00 H new ATOM 107 N MET A 10 5.151 -16.507 8.942 1.00 0.00 N ATOM 108 CA MET A 10 5.641 -15.186 8.564 1.00 0.00 C ATOM 109 C MET A 10 4.547 -14.135 8.720 1.00 0.00 C ATOM 110 O MET A 10 4.801 -13.025 9.188 1.00 0.00 O ATOM 111 CB MET A 10 6.148 -15.201 7.120 1.00 0.00 C ATOM 112 CG MET A 10 7.275 -16.193 6.882 1.00 0.00 C ATOM 113 SD MET A 10 8.812 -15.704 7.688 1.00 0.00 S ATOM 114 CE MET A 10 9.883 -15.481 6.270 1.00 0.00 C ATOM 0 H MET A 10 4.911 -17.109 8.155 1.00 0.00 H new ATOM 0 HA MET A 10 6.465 -14.928 9.229 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.318 -15.440 6.455 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.492 -14.202 6.854 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.973 -17.174 7.248 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.447 -16.292 5.810 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.874 -15.177 6.607 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.959 -16.419 5.720 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.469 -14.711 5.619 1.00 0.00 H new ATOM 124 N LEU A 11 3.329 -14.492 8.326 1.00 0.00 N ATOM 125 CA LEU A 11 2.196 -13.579 8.422 1.00 0.00 C ATOM 126 C LEU A 11 2.166 -12.889 9.782 1.00 0.00 C ATOM 127 O LEU A 11 2.222 -11.662 9.867 1.00 0.00 O ATOM 128 CB LEU A 11 0.886 -14.336 8.193 1.00 0.00 C ATOM 129 CG LEU A 11 -0.342 -13.476 7.893 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.062 -12.532 6.734 1.00 0.00 C ATOM 131 CD2 LEU A 11 -1.547 -14.354 7.589 1.00 0.00 C ATOM 0 H LEU A 11 3.101 -15.407 7.937 1.00 0.00 H new ATOM 0 HA LEU A 11 2.309 -12.817 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.030 -15.029 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.677 -14.936 9.078 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.567 -12.878 8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.947 -11.928 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.773 -11.879 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.189 -13.111 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.412 -13.725 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.333 -14.979 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.761 -14.988 8.449 1.00 0.00 H new ATOM 143 N ARG A 12 2.082 -13.685 10.842 1.00 0.00 N ATOM 144 CA ARG A 12 2.046 -13.150 12.198 1.00 0.00 C ATOM 145 C ARG A 12 3.099 -12.061 12.381 1.00 0.00 C ATOM 146 O ARG A 12 2.795 -10.960 12.839 1.00 0.00 O ATOM 147 CB ARG A 12 2.273 -14.269 13.217 1.00 0.00 C ATOM 148 CG ARG A 12 1.642 -13.996 14.572 1.00 0.00 C ATOM 149 CD ARG A 12 2.335 -14.778 15.677 1.00 0.00 C ATOM 150 NE ARG A 12 2.063 -14.218 16.998 1.00 0.00 N ATOM 151 CZ ARG A 12 2.829 -14.436 18.061 1.00 0.00 C ATOM 152 NH1 ARG A 12 3.909 -15.199 17.958 1.00 0.00 N ATOM 153 NH2 ARG A 12 2.517 -13.891 19.229 1.00 0.00 N ATOM 0 H ARG A 12 2.038 -14.703 10.789 1.00 0.00 H new ATOM 0 HA ARG A 12 1.062 -12.712 12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.869 -15.199 12.818 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.345 -14.418 13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.695 -12.930 14.791 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.586 -14.263 14.543 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.004 -15.816 15.648 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.410 -14.781 15.499 1.00 0.00 H new ATOM 0 HE ARG A 12 1.239 -13.627 17.111 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.153 -15.620 17.061 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.496 -15.365 18.776 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.688 -13.303 19.312 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.106 -14.060 20.044 1.00 0.00 H new ATOM 167 N ASP A 13 4.338 -12.377 12.019 1.00 0.00 N ATOM 168 CA ASP A 13 5.436 -11.425 12.142 1.00 0.00 C ATOM 169 C ASP A 13 5.035 -10.058 11.597 1.00 0.00 C ATOM 170 O ASP A 13 5.296 -9.030 12.220 1.00 0.00 O ATOM 171 CB ASP A 13 6.671 -11.941 11.401 1.00 0.00 C ATOM 172 CG ASP A 13 7.911 -11.121 11.701 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.034 -10.009 11.146 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.757 -11.591 12.490 1.00 0.00 O ATOM 0 H ASP A 13 4.607 -13.284 11.638 1.00 0.00 H new ATOM 0 HA ASP A 13 5.674 -11.318 13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.850 -12.980 11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.480 -11.926 10.328 1.00 0.00 H new ATOM 179 N MET A 14 4.399 -10.056 10.430 1.00 0.00 N ATOM 180 CA MET A 14 3.961 -8.815 9.801 1.00 0.00 C ATOM 181 C MET A 14 3.012 -8.048 10.716 1.00 0.00 C ATOM 182 O MET A 14 3.250 -6.884 11.040 1.00 0.00 O ATOM 183 CB MET A 14 3.276 -9.109 8.466 1.00 0.00 C ATOM 184 CG MET A 14 4.230 -9.595 7.387 1.00 0.00 C ATOM 185 SD MET A 14 3.578 -9.352 5.723 1.00 0.00 S ATOM 186 CE MET A 14 3.273 -11.046 5.229 1.00 0.00 C ATOM 0 H MET A 14 4.176 -10.899 9.901 1.00 0.00 H new ATOM 0 HA MET A 14 4.841 -8.198 9.620 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.503 -9.862 8.622 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.776 -8.206 8.117 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.179 -9.067 7.482 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.437 -10.654 7.541 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.734 -11.231 4.259 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.700 -11.723 5.969 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.199 -11.217 5.159 1.00 0.00 H new ATOM 196 N THR A 15 1.934 -8.707 11.129 1.00 0.00 N ATOM 197 CA THR A 15 0.948 -8.086 12.005 1.00 0.00 C ATOM 198 C THR A 15 1.599 -7.554 13.276 1.00 0.00 C ATOM 199 O THR A 15 1.121 -6.591 13.874 1.00 0.00 O ATOM 200 CB THR A 15 -0.166 -9.079 12.389 1.00 0.00 C ATOM 201 OG1 THR A 15 0.369 -10.120 13.213 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.803 -9.684 11.147 1.00 0.00 C ATOM 0 H THR A 15 1.721 -9.671 10.871 1.00 0.00 H new ATOM 0 HA THR A 15 0.510 -7.256 11.450 1.00 0.00 H new ATOM 0 HB THR A 15 -0.932 -8.536 12.943 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.114 -10.555 12.748 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.586 -10.382 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.235 -8.891 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.045 -10.213 10.570 1.00 0.00 H new ATOM 210 N GLY A 16 2.695 -8.187 13.684 1.00 0.00 N ATOM 211 CA GLY A 16 3.394 -7.762 14.883 1.00 0.00 C ATOM 212 C GLY A 16 4.101 -6.433 14.701 1.00 0.00 C ATOM 213 O GLY A 16 4.185 -5.634 15.634 1.00 0.00 O ATOM 0 H GLY A 16 3.111 -8.986 13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.683 -7.682 15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.123 -8.522 15.164 1.00 0.00 H new ATOM 217 N LEU A 17 4.611 -6.196 13.498 1.00 0.00 N ATOM 218 CA LEU A 17 5.316 -4.955 13.197 1.00 0.00 C ATOM 219 C LEU A 17 4.552 -3.750 13.737 1.00 0.00 C ATOM 220 O LEU A 17 3.332 -3.779 13.896 1.00 0.00 O ATOM 221 CB LEU A 17 5.516 -4.812 11.687 1.00 0.00 C ATOM 222 CG LEU A 17 6.473 -5.813 11.039 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.415 -5.703 9.523 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.894 -5.592 11.537 1.00 0.00 C ATOM 0 H LEU A 17 4.550 -6.847 12.715 1.00 0.00 H new ATOM 0 HA LEU A 17 6.290 -4.992 13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.544 -4.903 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.882 -3.806 11.483 1.00 0.00 H new ATOM 0 HG LEU A 17 6.162 -6.819 11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.103 -6.423 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.401 -5.912 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.700 -4.695 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.561 -6.313 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.215 -4.581 11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.925 -5.723 12.619 1.00 0.00 H new ATOM 236 N PRO A 18 5.285 -2.664 14.024 1.00 0.00 N ATOM 237 CA PRO A 18 4.697 -1.428 14.547 1.00 0.00 C ATOM 238 C PRO A 18 3.852 -0.702 13.506 1.00 0.00 C ATOM 239 O PRO A 18 2.757 -0.224 13.805 1.00 0.00 O ATOM 240 CB PRO A 18 5.919 -0.586 14.925 1.00 0.00 C ATOM 241 CG PRO A 18 7.013 -1.093 14.050 1.00 0.00 C ATOM 242 CD PRO A 18 6.745 -2.560 13.859 1.00 0.00 C ATOM 0 HA PRO A 18 4.020 -1.620 15.379 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.736 0.475 14.756 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.169 -0.702 15.979 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.022 -0.570 13.094 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.988 -0.931 14.510 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.064 -2.902 12.874 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.277 -3.165 14.594 1.00 0.00 H new ATOM 250 N HIS A 19 4.365 -0.624 12.283 1.00 0.00 N ATOM 251 CA HIS A 19 3.656 0.043 11.197 1.00 0.00 C ATOM 252 C HIS A 19 2.439 -0.769 10.763 1.00 0.00 C ATOM 253 O HIS A 19 1.590 -0.282 10.019 1.00 0.00 O ATOM 254 CB HIS A 19 4.590 0.258 10.006 1.00 0.00 C ATOM 255 CG HIS A 19 5.509 -0.896 9.749 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.688 -1.088 10.438 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.416 -1.924 8.872 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.281 -2.182 9.996 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.529 -2.709 9.046 1.00 0.00 N ATOM 0 H HIS A 19 5.269 -1.015 12.019 1.00 0.00 H new ATOM 0 HA HIS A 19 3.314 1.012 11.561 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.991 0.441 9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.186 1.154 10.179 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.046 -0.480 11.174 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.616 -2.094 8.167 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.221 -2.579 10.351 1.00 0.00 H new ATOM 267 N ASN A 20 2.363 -2.010 11.234 1.00 0.00 N ATOM 268 CA ASN A 20 1.251 -2.890 10.894 1.00 0.00 C ATOM 269 C ASN A 20 0.451 -3.261 12.139 1.00 0.00 C ATOM 270 O ASN A 20 -0.020 -4.391 12.272 1.00 0.00 O ATOM 271 CB ASN A 20 1.767 -4.157 10.209 1.00 0.00 C ATOM 272 CG ASN A 20 2.377 -3.872 8.850 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.019 -2.897 8.189 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.302 -4.725 8.426 1.00 0.00 N ATOM 0 H ASN A 20 3.058 -2.428 11.852 1.00 0.00 H new ATOM 0 HA ASN A 20 0.594 -2.356 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.512 -4.633 10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.946 -4.865 10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.747 -4.586 7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.568 -5.520 9.008 1.00 0.00 H new ATOM 281 N ARG A 21 0.301 -2.302 13.047 1.00 0.00 N ATOM 282 CA ARG A 21 -0.442 -2.528 14.281 1.00 0.00 C ATOM 283 C ARG A 21 -1.906 -2.134 14.114 1.00 0.00 C ATOM 284 O ARG A 21 -2.797 -2.745 14.705 1.00 0.00 O ATOM 285 CB ARG A 21 0.183 -1.735 15.430 1.00 0.00 C ATOM 286 CG ARG A 21 1.620 -2.130 15.732 1.00 0.00 C ATOM 287 CD ARG A 21 1.696 -3.509 16.369 1.00 0.00 C ATOM 288 NE ARG A 21 1.458 -3.460 17.810 1.00 0.00 N ATOM 289 CZ ARG A 21 2.376 -3.085 18.693 1.00 0.00 C ATOM 290 NH1 ARG A 21 3.586 -2.726 18.286 1.00 0.00 N ATOM 291 NH2 ARG A 21 2.084 -3.066 19.988 1.00 0.00 N ATOM 0 H ARG A 21 0.684 -1.361 12.951 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.394 -3.592 14.515 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.150 -0.673 15.187 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.420 -1.875 16.327 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.202 -2.121 14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.068 -1.394 16.400 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.961 -4.165 15.902 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.677 -3.943 16.178 1.00 0.00 H new ATOM 0 HE ARG A 21 0.537 -3.728 18.156 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.814 -2.737 17.292 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.289 -2.438 18.967 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.154 -3.340 20.305 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.790 -2.778 20.666 1.00 0.00 H new ATOM 305 N LYS A 22 -2.149 -1.108 13.306 1.00 0.00 N ATOM 306 CA LYS A 22 -3.505 -0.631 13.059 1.00 0.00 C ATOM 307 C LYS A 22 -3.796 -0.568 11.563 1.00 0.00 C ATOM 308 O LYS A 22 -2.913 -0.803 10.738 1.00 0.00 O ATOM 309 CB LYS A 22 -3.703 0.751 13.687 1.00 0.00 C ATOM 310 CG LYS A 22 -3.413 0.789 15.177 1.00 0.00 C ATOM 311 CD LYS A 22 -3.125 2.203 15.652 1.00 0.00 C ATOM 312 CE LYS A 22 -2.872 2.247 17.152 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.442 1.995 17.480 1.00 0.00 N ATOM 0 H LYS A 22 -1.424 -0.590 12.810 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.200 -1.335 13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.055 1.467 13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.730 1.074 13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.265 0.386 15.725 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.560 0.148 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.256 2.595 15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.967 2.850 15.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.168 3.221 17.542 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.495 1.502 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.310 2.033 18.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.166 1.055 17.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.849 2.720 17.028 1.00 0.00 H new ATOM 327 N CYS A 23 -5.039 -0.249 11.220 1.00 0.00 N ATOM 328 CA CYS A 23 -5.447 -0.154 9.824 1.00 0.00 C ATOM 329 C CYS A 23 -4.580 0.851 9.071 1.00 0.00 C ATOM 330 O CYS A 23 -3.765 1.554 9.668 1.00 0.00 O ATOM 331 CB CYS A 23 -6.919 0.252 9.727 1.00 0.00 C ATOM 332 SG CYS A 23 -7.725 -0.237 8.169 1.00 0.00 S ATOM 0 H CYS A 23 -5.782 -0.052 11.890 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.317 -1.135 9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.463 -0.193 10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.994 1.334 9.839 1.00 0.00 H new ATOM 337 N PHE A 24 -4.763 0.914 7.756 1.00 0.00 N ATOM 338 CA PHE A 24 -3.998 1.832 6.921 1.00 0.00 C ATOM 339 C PHE A 24 -4.790 3.107 6.647 1.00 0.00 C ATOM 340 O PHE A 24 -4.287 4.041 6.022 1.00 0.00 O ATOM 341 CB PHE A 24 -3.621 1.159 5.599 1.00 0.00 C ATOM 342 CG PHE A 24 -2.744 2.008 4.724 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.386 2.118 4.979 1.00 0.00 C ATOM 344 CD2 PHE A 24 -3.277 2.694 3.645 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.577 2.899 4.175 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.473 3.476 2.837 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.121 3.578 3.102 1.00 0.00 C ATOM 0 H PHE A 24 -5.435 0.340 7.246 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.088 2.099 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.109 0.220 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.532 0.910 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.955 1.588 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.333 2.617 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.479 2.978 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.901 4.007 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.491 4.187 2.471 1.00 0.00 H new ATOM 357 N ASP A 25 -6.032 3.138 7.119 1.00 0.00 N ATOM 358 CA ASP A 25 -6.894 4.298 6.926 1.00 0.00 C ATOM 359 C ASP A 25 -7.566 4.698 8.236 1.00 0.00 C ATOM 360 O ASP A 25 -7.320 5.782 8.766 1.00 0.00 O ATOM 361 CB ASP A 25 -7.955 4.000 5.865 1.00 0.00 C ATOM 362 CG ASP A 25 -7.468 3.015 4.820 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.248 2.989 4.552 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.306 2.270 4.272 1.00 0.00 O ATOM 0 H ASP A 25 -6.464 2.373 7.638 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.275 5.129 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.846 3.601 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.247 4.929 5.376 1.00 0.00 H new ATOM 369 N CYS A 26 -8.418 3.818 8.752 1.00 0.00 N ATOM 370 CA CYS A 26 -9.127 4.080 9.998 1.00 0.00 C ATOM 371 C CYS A 26 -8.209 3.876 11.200 1.00 0.00 C ATOM 372 O CYS A 26 -8.632 4.013 12.348 1.00 0.00 O ATOM 373 CB CYS A 26 -10.349 3.166 10.116 1.00 0.00 C ATOM 374 SG CYS A 26 -9.948 1.439 10.538 1.00 0.00 S ATOM 0 H CYS A 26 -8.634 2.917 8.326 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.457 5.119 9.987 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.018 3.569 10.876 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.893 3.181 9.172 1.00 0.00 H new ATOM 379 N ASP A 27 -6.950 3.550 10.927 1.00 0.00 N ATOM 380 CA ASP A 27 -5.971 3.329 11.985 1.00 0.00 C ATOM 381 C ASP A 27 -6.624 2.683 13.203 1.00 0.00 C ATOM 382 O ASP A 27 -6.476 3.165 14.326 1.00 0.00 O ATOM 383 CB ASP A 27 -5.313 4.651 12.384 1.00 0.00 C ATOM 384 CG ASP A 27 -3.897 4.463 12.891 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.042 3.999 12.107 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.643 4.779 14.072 1.00 0.00 O ATOM 0 H ASP A 27 -6.584 3.433 9.982 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.206 2.652 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.302 5.322 11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.912 5.133 13.157 1.00 0.00 H new ATOM 391 N GLN A 28 -7.345 1.591 12.972 1.00 0.00 N ATOM 392 CA GLN A 28 -8.022 0.881 14.051 1.00 0.00 C ATOM 393 C GLN A 28 -7.283 -0.406 14.402 1.00 0.00 C ATOM 394 O GLN A 28 -7.379 -1.403 13.686 1.00 0.00 O ATOM 395 CB GLN A 28 -9.465 0.564 13.655 1.00 0.00 C ATOM 396 CG GLN A 28 -10.363 0.242 14.839 1.00 0.00 C ATOM 397 CD GLN A 28 -10.177 -1.175 15.344 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.970 -1.399 16.537 1.00 0.00 O ATOM 399 NE2 GLN A 28 -10.251 -2.142 14.437 1.00 0.00 N ATOM 0 H GLN A 28 -7.476 1.179 12.048 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.028 1.526 14.930 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.880 1.415 13.115 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.467 -0.282 12.967 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.156 0.942 15.648 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.404 0.387 14.551 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.424 -1.911 13.459 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.135 -3.115 14.719 1.00 0.00 H new ATOM 408 N ARG A 29 -6.547 -0.378 15.508 1.00 0.00 N ATOM 409 CA ARG A 29 -5.791 -1.542 15.953 1.00 0.00 C ATOM 410 C ARG A 29 -6.580 -2.826 15.714 1.00 0.00 C ATOM 411 O ARG A 29 -7.805 -2.845 15.831 1.00 0.00 O ATOM 412 CB ARG A 29 -5.442 -1.414 17.437 1.00 0.00 C ATOM 413 CG ARG A 29 -6.658 -1.358 18.346 1.00 0.00 C ATOM 414 CD ARG A 29 -7.090 -2.748 18.786 1.00 0.00 C ATOM 415 NE ARG A 29 -8.510 -2.799 19.123 1.00 0.00 N ATOM 416 CZ ARG A 29 -9.235 -3.911 19.083 1.00 0.00 C ATOM 417 NH1 ARG A 29 -8.676 -5.058 18.723 1.00 0.00 N ATOM 418 NH2 ARG A 29 -10.522 -3.877 19.404 1.00 0.00 N ATOM 0 H ARG A 29 -6.458 0.439 16.113 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.869 -1.589 15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.819 -2.259 17.729 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.846 -0.513 17.585 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.430 -0.752 19.223 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.481 -0.868 17.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.881 -3.462 17.989 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.501 -3.054 19.651 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.970 -1.933 19.404 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.687 -5.088 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.235 -5.911 18.693 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.955 -2.996 19.682 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.078 -4.732 19.373 1.00 0.00 H new ATOM 432 N GLY A 30 -5.869 -3.899 15.380 1.00 0.00 N ATOM 433 CA GLY A 30 -6.519 -5.172 15.129 1.00 0.00 C ATOM 434 C GLY A 30 -6.887 -5.358 13.671 1.00 0.00 C ATOM 435 O GLY A 30 -8.008 -5.739 13.335 1.00 0.00 O ATOM 0 H GLY A 30 -4.854 -3.909 15.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.858 -5.981 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.419 -5.243 15.740 1.00 0.00 H new ATOM 439 N PRO A 31 -5.927 -5.084 12.775 1.00 0.00 N ATOM 440 CA PRO A 31 -6.132 -5.216 11.329 1.00 0.00 C ATOM 441 C PRO A 31 -6.261 -6.671 10.892 1.00 0.00 C ATOM 442 O PRO A 31 -5.313 -7.448 10.997 1.00 0.00 O ATOM 443 CB PRO A 31 -4.870 -4.588 10.733 1.00 0.00 C ATOM 444 CG PRO A 31 -3.835 -4.737 11.795 1.00 0.00 C ATOM 445 CD PRO A 31 -4.567 -4.626 13.104 1.00 0.00 C ATOM 0 HA PRO A 31 -7.056 -4.739 11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.571 -5.094 9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.031 -3.540 10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.326 -5.698 11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.072 -3.964 11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.109 -5.247 13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.567 -3.602 13.478 1.00 0.00 H new ATOM 453 N THR A 32 -7.442 -7.034 10.401 1.00 0.00 N ATOM 454 CA THR A 32 -7.696 -8.396 9.948 1.00 0.00 C ATOM 455 C THR A 32 -7.868 -8.449 8.434 1.00 0.00 C ATOM 456 O THR A 32 -8.568 -9.315 7.909 1.00 0.00 O ATOM 457 CB THR A 32 -8.952 -8.985 10.617 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.117 -8.272 10.187 1.00 0.00 O ATOM 459 CG2 THR A 32 -8.840 -8.917 12.132 1.00 0.00 C ATOM 0 H THR A 32 -8.238 -6.403 10.307 1.00 0.00 H new ATOM 0 HA THR A 32 -6.828 -8.991 10.233 1.00 0.00 H new ATOM 0 HB THR A 32 -9.037 -10.031 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.911 -8.654 10.616 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.739 -9.339 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.969 -9.486 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.732 -7.878 12.443 1.00 0.00 H new ATOM 467 N TYR A 33 -7.224 -7.519 7.737 1.00 0.00 N ATOM 468 CA TYR A 33 -7.307 -7.459 6.283 1.00 0.00 C ATOM 469 C TYR A 33 -6.034 -6.867 5.688 1.00 0.00 C ATOM 470 O TYR A 33 -5.350 -6.067 6.327 1.00 0.00 O ATOM 471 CB TYR A 33 -8.518 -6.629 5.854 1.00 0.00 C ATOM 472 CG TYR A 33 -9.795 -7.431 5.744 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.458 -7.877 6.880 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.337 -7.745 4.504 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.625 -8.611 6.785 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.503 -8.477 4.398 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.143 -8.908 5.541 1.00 0.00 C ATOM 478 OH TYR A 33 -13.305 -9.639 5.441 1.00 0.00 O ATOM 0 H TYR A 33 -6.639 -6.796 8.156 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.421 -8.476 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.667 -5.822 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.307 -6.165 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.054 -7.646 7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.837 -7.411 3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.128 -8.950 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.911 -8.711 3.426 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.093 -10.595 5.463 1.00 0.00 H new ATOM 488 N VAL A 34 -5.721 -7.266 4.459 1.00 0.00 N ATOM 489 CA VAL A 34 -4.531 -6.774 3.775 1.00 0.00 C ATOM 490 C VAL A 34 -4.816 -6.502 2.303 1.00 0.00 C ATOM 491 O VAL A 34 -5.353 -7.354 1.596 1.00 0.00 O ATOM 492 CB VAL A 34 -3.366 -7.776 3.885 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.878 -7.873 5.322 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.789 -9.141 3.363 1.00 0.00 C ATOM 0 H VAL A 34 -6.275 -7.929 3.917 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.247 -5.843 4.265 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.540 -7.416 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.055 -8.585 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.534 -6.894 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.694 -8.209 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.955 -9.837 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.631 -9.510 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.085 -9.055 2.318 1.00 0.00 H new ATOM 504 N ASN A 35 -4.452 -5.308 1.846 1.00 0.00 N ATOM 505 CA ASN A 35 -4.669 -4.922 0.456 1.00 0.00 C ATOM 506 C ASN A 35 -3.574 -5.488 -0.442 1.00 0.00 C ATOM 507 O ASN A 35 -2.406 -5.119 -0.322 1.00 0.00 O ATOM 508 CB ASN A 35 -4.713 -3.398 0.329 1.00 0.00 C ATOM 509 CG ASN A 35 -5.154 -2.946 -1.050 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.922 -3.633 -2.045 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.793 -1.784 -1.114 1.00 0.00 N ATOM 0 H ASN A 35 -4.005 -4.591 2.418 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.626 -5.334 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.395 -2.993 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.726 -2.989 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.114 -1.427 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.963 -1.248 -0.263 1.00 0.00 H new ATOM 518 N MET A 36 -3.960 -6.386 -1.343 1.00 0.00 N ATOM 519 CA MET A 36 -3.011 -7.001 -2.264 1.00 0.00 C ATOM 520 C MET A 36 -2.574 -6.010 -3.337 1.00 0.00 C ATOM 521 O MET A 36 -1.441 -6.057 -3.817 1.00 0.00 O ATOM 522 CB MET A 36 -3.631 -8.238 -2.917 1.00 0.00 C ATOM 523 CG MET A 36 -4.028 -9.317 -1.922 1.00 0.00 C ATOM 524 SD MET A 36 -2.760 -9.612 -0.675 1.00 0.00 S ATOM 525 CE MET A 36 -1.381 -10.108 -1.705 1.00 0.00 C ATOM 0 H MET A 36 -4.923 -6.704 -1.455 1.00 0.00 H new ATOM 0 HA MET A 36 -2.132 -7.302 -1.694 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.512 -7.936 -3.484 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.921 -8.657 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.956 -9.028 -1.429 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.227 -10.245 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.804 -10.879 -1.194 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.756 -10.501 -2.650 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.743 -9.246 -1.898 1.00 0.00 H new ATOM 535 N THR A 37 -3.480 -5.112 -3.711 1.00 0.00 N ATOM 536 CA THR A 37 -3.188 -4.110 -4.729 1.00 0.00 C ATOM 537 C THR A 37 -2.118 -3.136 -4.251 1.00 0.00 C ATOM 538 O THR A 37 -1.091 -2.956 -4.906 1.00 0.00 O ATOM 539 CB THR A 37 -4.451 -3.318 -5.116 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.330 -4.143 -5.888 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.087 -2.073 -5.910 1.00 0.00 C ATOM 0 H THR A 37 -4.422 -5.058 -3.324 1.00 0.00 H new ATOM 0 HA THR A 37 -2.822 -4.646 -5.604 1.00 0.00 H new ATOM 0 HB THR A 37 -4.955 -3.010 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.131 -3.632 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.995 -1.530 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.442 -1.433 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.562 -2.363 -6.820 1.00 0.00 H new ATOM 549 N VAL A 38 -2.363 -2.510 -3.105 1.00 0.00 N ATOM 550 CA VAL A 38 -1.419 -1.555 -2.538 1.00 0.00 C ATOM 551 C VAL A 38 -0.357 -2.262 -1.702 1.00 0.00 C ATOM 552 O VAL A 38 0.780 -1.803 -1.608 1.00 0.00 O ATOM 553 CB VAL A 38 -2.135 -0.510 -1.661 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.218 0.671 -1.381 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.423 -0.050 -2.326 1.00 0.00 C ATOM 0 H VAL A 38 -3.208 -2.647 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.940 -1.048 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.391 -0.974 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.741 1.399 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.326 0.324 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.929 1.138 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.916 0.688 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.194 0.397 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.084 -0.905 -2.469 1.00 0.00 H new ATOM 565 N GLY A 39 -0.738 -3.383 -1.097 1.00 0.00 N ATOM 566 CA GLY A 39 0.193 -4.136 -0.277 1.00 0.00 C ATOM 567 C GLY A 39 0.256 -3.623 1.148 1.00 0.00 C ATOM 568 O GLY A 39 1.319 -3.623 1.769 1.00 0.00 O ATOM 0 H GLY A 39 -1.674 -3.783 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.101 -5.186 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.187 -4.086 -0.722 1.00 0.00 H new ATOM 572 N SER A 40 -0.885 -3.183 1.669 1.00 0.00 N ATOM 573 CA SER A 40 -0.954 -2.660 3.028 1.00 0.00 C ATOM 574 C SER A 40 -1.854 -3.529 3.900 1.00 0.00 C ATOM 575 O SER A 40 -2.438 -4.506 3.430 1.00 0.00 O ATOM 576 CB SER A 40 -1.472 -1.220 3.017 1.00 0.00 C ATOM 577 OG SER A 40 -2.881 -1.186 2.872 1.00 0.00 O ATOM 0 H SER A 40 -1.775 -3.178 1.170 1.00 0.00 H new ATOM 0 HA SER A 40 0.052 -2.674 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.186 -0.720 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.006 -0.669 2.200 1.00 0.00 H new ATOM 0 HG SER A 40 -3.187 -0.255 2.870 1.00 0.00 H new ATOM 583 N PHE A 41 -1.962 -3.167 5.174 1.00 0.00 N ATOM 584 CA PHE A 41 -2.791 -3.914 6.114 1.00 0.00 C ATOM 585 C PHE A 41 -4.013 -3.100 6.527 1.00 0.00 C ATOM 586 O PHE A 41 -3.891 -2.063 7.179 1.00 0.00 O ATOM 587 CB PHE A 41 -1.976 -4.297 7.351 1.00 0.00 C ATOM 588 CG PHE A 41 -1.068 -5.473 7.131 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.008 -5.381 6.263 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.291 -6.670 7.792 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.845 -6.461 6.058 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.456 -7.753 7.592 1.00 0.00 C ATOM 593 CZ PHE A 41 0.612 -7.649 6.723 1.00 0.00 C ATOM 0 H PHE A 41 -1.486 -2.361 5.580 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.133 -4.822 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.378 -3.440 7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.659 -4.524 8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.195 -4.454 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.126 -6.758 8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.680 -6.376 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.639 -8.680 8.115 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.264 -8.495 6.564 1.00 0.00 H new ATOM 603 N VAL A 42 -5.193 -3.577 6.142 1.00 0.00 N ATOM 604 CA VAL A 42 -6.438 -2.896 6.473 1.00 0.00 C ATOM 605 C VAL A 42 -7.354 -3.793 7.298 1.00 0.00 C ATOM 606 O VAL A 42 -6.983 -4.909 7.664 1.00 0.00 O ATOM 607 CB VAL A 42 -7.186 -2.447 5.203 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.370 -1.417 4.438 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.508 -3.646 4.323 1.00 0.00 C ATOM 0 H VAL A 42 -5.312 -4.433 5.600 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.171 -2.017 7.060 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.125 -1.981 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.915 -1.112 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.196 -0.547 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.413 -1.852 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.036 -3.311 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.582 -4.143 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.136 -4.345 4.876 1.00 0.00 H new ATOM 619 N CYS A 43 -8.552 -3.298 7.590 1.00 0.00 N ATOM 620 CA CYS A 43 -9.522 -4.054 8.373 1.00 0.00 C ATOM 621 C CYS A 43 -10.698 -4.492 7.505 1.00 0.00 C ATOM 622 O CYS A 43 -10.743 -4.205 6.308 1.00 0.00 O ATOM 623 CB CYS A 43 -10.026 -3.213 9.547 1.00 0.00 C ATOM 624 SG CYS A 43 -10.975 -1.738 9.054 1.00 0.00 S ATOM 0 H CYS A 43 -8.874 -2.376 7.296 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.026 -4.945 8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.651 -3.837 10.185 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.172 -2.898 10.147 1.00 0.00 H new ATOM 629 N THR A 44 -11.650 -5.190 8.117 1.00 0.00 N ATOM 630 CA THR A 44 -12.826 -5.669 7.401 1.00 0.00 C ATOM 631 C THR A 44 -13.732 -4.513 6.996 1.00 0.00 C ATOM 632 O THR A 44 -14.466 -4.602 6.011 1.00 0.00 O ATOM 633 CB THR A 44 -13.635 -6.666 8.253 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.619 -7.317 7.443 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.315 -5.957 9.415 1.00 0.00 C ATOM 0 H THR A 44 -11.629 -5.436 9.107 1.00 0.00 H new ATOM 0 HA THR A 44 -12.466 -6.176 6.506 1.00 0.00 H new ATOM 0 HB THR A 44 -12.946 -7.410 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.176 -7.933 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.880 -6.681 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.561 -5.487 10.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.992 -5.194 9.030 1.00 0.00 H new ATOM 643 N SER A 45 -13.676 -3.427 7.760 1.00 0.00 N ATOM 644 CA SER A 45 -14.495 -2.253 7.482 1.00 0.00 C ATOM 645 C SER A 45 -14.037 -1.563 6.200 1.00 0.00 C ATOM 646 O SER A 45 -14.749 -1.559 5.196 1.00 0.00 O ATOM 647 CB SER A 45 -14.431 -1.271 8.653 1.00 0.00 C ATOM 648 OG SER A 45 -15.391 -0.239 8.507 1.00 0.00 O ATOM 0 H SER A 45 -13.072 -3.336 8.577 1.00 0.00 H new ATOM 0 HA SER A 45 -15.525 -2.583 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.605 -1.804 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.433 -0.837 8.714 1.00 0.00 H new ATOM 0 HG SER A 45 -15.331 0.374 9.269 1.00 0.00 H new ATOM 654 N CYS A 46 -12.844 -0.980 6.243 1.00 0.00 N ATOM 655 CA CYS A 46 -12.290 -0.287 5.087 1.00 0.00 C ATOM 656 C CYS A 46 -12.210 -1.218 3.880 1.00 0.00 C ATOM 657 O CYS A 46 -12.565 -0.837 2.765 1.00 0.00 O ATOM 658 CB CYS A 46 -10.899 0.263 5.413 1.00 0.00 C ATOM 659 SG CYS A 46 -10.846 1.312 6.901 1.00 0.00 S ATOM 0 H CYS A 46 -12.242 -0.974 7.067 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.953 0.542 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.211 -0.572 5.545 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.539 0.840 4.561 1.00 0.00 H new ATOM 664 N SER A 47 -11.742 -2.440 4.113 1.00 0.00 N ATOM 665 CA SER A 47 -11.612 -3.425 3.045 1.00 0.00 C ATOM 666 C SER A 47 -12.805 -3.358 2.096 1.00 0.00 C ATOM 667 O SER A 47 -12.645 -3.387 0.877 1.00 0.00 O ATOM 668 CB SER A 47 -11.492 -4.832 3.633 1.00 0.00 C ATOM 669 OG SER A 47 -12.601 -5.135 4.462 1.00 0.00 O ATOM 0 H SER A 47 -11.447 -2.772 5.031 1.00 0.00 H new ATOM 0 HA SER A 47 -10.708 -3.196 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.427 -5.562 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.571 -4.911 4.210 1.00 0.00 H new ATOM 0 HG SER A 47 -13.055 -4.305 4.718 1.00 0.00 H new ATOM 675 N GLY A 48 -14.003 -3.269 2.667 1.00 0.00 N ATOM 676 CA GLY A 48 -15.206 -3.199 1.858 1.00 0.00 C ATOM 677 C GLY A 48 -15.374 -1.852 1.184 1.00 0.00 C ATOM 678 O GLY A 48 -15.922 -1.765 0.085 1.00 0.00 O ATOM 0 H GLY A 48 -14.162 -3.244 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.175 -3.980 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.074 -3.398 2.486 1.00 0.00 H new ATOM 682 N SER A 49 -14.903 -0.799 1.843 1.00 0.00 N ATOM 683 CA SER A 49 -15.008 0.551 1.302 1.00 0.00 C ATOM 684 C SER A 49 -14.081 0.731 0.104 1.00 0.00 C ATOM 685 O SER A 49 -14.493 1.224 -0.947 1.00 0.00 O ATOM 686 CB SER A 49 -14.673 1.583 2.381 1.00 0.00 C ATOM 687 OG SER A 49 -15.695 1.647 3.360 1.00 0.00 O ATOM 0 H SER A 49 -14.445 -0.854 2.753 1.00 0.00 H new ATOM 0 HA SER A 49 -16.035 0.703 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.726 1.324 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.542 2.563 1.923 1.00 0.00 H new ATOM 0 HG SER A 49 -15.456 2.312 4.039 1.00 0.00 H new ATOM 693 N LEU A 50 -12.826 0.328 0.271 1.00 0.00 N ATOM 694 CA LEU A 50 -11.837 0.444 -0.796 1.00 0.00 C ATOM 695 C LEU A 50 -12.415 -0.025 -2.127 1.00 0.00 C ATOM 696 O LEU A 50 -12.272 0.647 -3.149 1.00 0.00 O ATOM 697 CB LEU A 50 -10.590 -0.372 -0.453 1.00 0.00 C ATOM 698 CG LEU A 50 -9.561 0.320 0.442 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.715 -0.709 1.177 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.679 1.250 -0.379 1.00 0.00 C ATOM 0 H LEU A 50 -12.469 -0.082 1.134 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.562 1.494 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.906 -1.293 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.099 -0.657 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.094 0.917 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.988 -0.198 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.359 -1.334 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.191 -1.333 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.953 1.734 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.154 0.675 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.297 2.009 -0.859 1.00 0.00 H new ATOM 712 N ARG A 51 -13.071 -1.181 -2.107 1.00 0.00 N ATOM 713 CA ARG A 51 -13.671 -1.740 -3.313 1.00 0.00 C ATOM 714 C ARG A 51 -14.511 -0.691 -4.038 1.00 0.00 C ATOM 715 O ARG A 51 -14.484 -0.600 -5.264 1.00 0.00 O ATOM 716 CB ARG A 51 -14.539 -2.950 -2.962 1.00 0.00 C ATOM 717 CG ARG A 51 -13.769 -4.079 -2.297 1.00 0.00 C ATOM 718 CD ARG A 51 -14.490 -5.409 -2.448 1.00 0.00 C ATOM 719 NE ARG A 51 -14.080 -6.119 -3.656 1.00 0.00 N ATOM 720 CZ ARG A 51 -13.000 -6.890 -3.725 1.00 0.00 C ATOM 721 NH1 ARG A 51 -12.227 -7.050 -2.660 1.00 0.00 N ATOM 722 NH2 ARG A 51 -12.693 -7.504 -4.861 1.00 0.00 N ATOM 0 H ARG A 51 -13.200 -1.748 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.866 -2.058 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.343 -2.630 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.007 -3.327 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.774 -4.151 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.634 -3.855 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.289 -6.031 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.566 -5.237 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.654 -6.018 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.461 -6.581 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.399 -7.642 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.286 -7.384 -5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.864 -8.096 -4.913 1.00 0.00 H new ATOM 736 N GLY A 52 -15.255 0.098 -3.269 1.00 0.00 N ATOM 737 CA GLY A 52 -16.092 1.129 -3.856 1.00 0.00 C ATOM 738 C GLY A 52 -15.339 1.993 -4.847 1.00 0.00 C ATOM 739 O GLY A 52 -15.885 2.388 -5.878 1.00 0.00 O ATOM 0 H GLY A 52 -15.293 0.042 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.940 0.662 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.497 1.759 -3.064 1.00 0.00 H new ATOM 743 N LEU A 53 -14.082 2.289 -4.536 1.00 0.00 N ATOM 744 CA LEU A 53 -13.252 3.114 -5.406 1.00 0.00 C ATOM 745 C LEU A 53 -13.159 2.509 -6.803 1.00 0.00 C ATOM 746 O LEU A 53 -13.599 1.383 -7.034 1.00 0.00 O ATOM 747 CB LEU A 53 -11.851 3.270 -4.811 1.00 0.00 C ATOM 748 CG LEU A 53 -11.786 3.805 -3.381 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.441 3.479 -2.750 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.035 5.306 -3.361 1.00 0.00 C ATOM 0 H LEU A 53 -13.615 1.970 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.717 4.097 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.357 2.299 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.277 3.937 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.567 3.319 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.413 3.868 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.301 2.398 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.644 3.937 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.985 5.669 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.277 5.809 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.022 5.517 -3.773 1.00 0.00 H new ATOM 762 N ASN A 54 -12.580 3.263 -7.732 1.00 0.00 N ATOM 763 CA ASN A 54 -12.427 2.800 -9.107 1.00 0.00 C ATOM 764 C ASN A 54 -11.066 3.199 -9.667 1.00 0.00 C ATOM 765 O ASN A 54 -10.715 4.378 -9.734 1.00 0.00 O ATOM 766 CB ASN A 54 -13.541 3.373 -9.986 1.00 0.00 C ATOM 767 CG ASN A 54 -13.893 2.457 -11.143 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.750 1.582 -11.018 1.00 0.00 O ATOM 769 ND2 ASN A 54 -13.230 2.654 -12.276 1.00 0.00 N ATOM 0 H ASN A 54 -12.209 4.197 -7.558 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.495 1.712 -9.108 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.429 3.543 -9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.231 4.343 -10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.423 2.068 -13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.528 3.391 -12.334 1.00 0.00 H new ATOM 776 N PRO A 55 -10.278 2.195 -10.080 1.00 0.00 N ATOM 777 CA PRO A 55 -10.685 0.788 -10.005 1.00 0.00 C ATOM 778 C PRO A 55 -10.747 0.279 -8.569 1.00 0.00 C ATOM 779 O PRO A 55 -10.090 0.804 -7.669 1.00 0.00 O ATOM 780 CB PRO A 55 -9.586 0.060 -10.783 1.00 0.00 C ATOM 781 CG PRO A 55 -8.396 0.950 -10.682 1.00 0.00 C ATOM 782 CD PRO A 55 -8.931 2.355 -10.652 1.00 0.00 C ATOM 0 HA PRO A 55 -11.686 0.631 -10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.383 -0.922 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.875 -0.098 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.821 0.732 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.727 0.805 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.310 3.009 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.967 2.792 -11.650 1.00 0.00 H new ATOM 790 N PRO A 56 -11.554 -0.768 -8.346 1.00 0.00 N ATOM 791 CA PRO A 56 -11.721 -1.372 -7.021 1.00 0.00 C ATOM 792 C PRO A 56 -10.470 -2.113 -6.560 1.00 0.00 C ATOM 793 O PRO A 56 -9.997 -3.030 -7.232 1.00 0.00 O ATOM 794 CB PRO A 56 -12.880 -2.352 -7.220 1.00 0.00 C ATOM 795 CG PRO A 56 -12.848 -2.686 -8.672 1.00 0.00 C ATOM 796 CD PRO A 56 -12.367 -1.445 -9.372 1.00 0.00 C ATOM 0 HA PRO A 56 -11.907 -0.622 -6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.755 -3.244 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.832 -1.902 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.181 -3.526 -8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.837 -2.976 -9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.778 -1.686 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.198 -0.822 -9.702 1.00 0.00 H new ATOM 804 N HIS A 57 -9.939 -1.710 -5.410 1.00 0.00 N ATOM 805 CA HIS A 57 -8.743 -2.337 -4.859 1.00 0.00 C ATOM 806 C HIS A 57 -8.994 -3.811 -4.553 1.00 0.00 C ATOM 807 O HIS A 57 -10.084 -4.328 -4.797 1.00 0.00 O ATOM 808 CB HIS A 57 -8.298 -1.609 -3.591 1.00 0.00 C ATOM 809 CG HIS A 57 -7.621 -0.300 -3.857 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.879 0.371 -2.908 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.576 0.462 -4.975 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.408 1.489 -3.430 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.816 1.568 -4.684 1.00 0.00 N ATOM 0 H HIS A 57 -10.318 -0.952 -4.842 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.951 -2.269 -5.604 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.168 -1.436 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.619 -2.253 -3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.050 0.241 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.794 2.215 -2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.601 2.327 -5.331 1.00 0.00 H new ATOM 821 N ARG A 58 -7.978 -4.481 -4.019 1.00 0.00 N ATOM 822 CA ARG A 58 -8.088 -5.895 -3.682 1.00 0.00 C ATOM 823 C ARG A 58 -7.785 -6.126 -2.204 1.00 0.00 C ATOM 824 O ARG A 58 -6.712 -5.772 -1.717 1.00 0.00 O ATOM 825 CB ARG A 58 -7.134 -6.723 -4.545 1.00 0.00 C ATOM 826 CG ARG A 58 -7.051 -8.183 -4.131 1.00 0.00 C ATOM 827 CD ARG A 58 -8.332 -8.930 -4.466 1.00 0.00 C ATOM 828 NE ARG A 58 -8.345 -9.405 -5.847 1.00 0.00 N ATOM 829 CZ ARG A 58 -9.141 -10.374 -6.284 1.00 0.00 C ATOM 830 NH1 ARG A 58 -9.986 -10.968 -5.452 1.00 0.00 N ATOM 831 NH2 ARG A 58 -9.094 -10.751 -7.555 1.00 0.00 N ATOM 0 H ARG A 58 -7.069 -4.067 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.112 -6.212 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.456 -6.667 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.138 -6.283 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.209 -8.658 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.860 -8.248 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.444 -9.778 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.187 -8.275 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.707 -8.968 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.026 -10.681 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.596 -11.712 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.446 -10.296 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.706 -11.495 -7.889 1.00 0.00 H new ATOM 845 N VAL A 59 -8.739 -6.723 -1.496 1.00 0.00 N ATOM 846 CA VAL A 59 -8.575 -7.002 -0.075 1.00 0.00 C ATOM 847 C VAL A 59 -8.789 -8.482 0.222 1.00 0.00 C ATOM 848 O VAL A 59 -9.497 -9.178 -0.507 1.00 0.00 O ATOM 849 CB VAL A 59 -9.553 -6.172 0.777 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.996 -4.778 1.022 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.916 -6.101 0.106 1.00 0.00 C ATOM 0 H VAL A 59 -9.633 -7.023 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.553 -6.726 0.186 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.675 -6.663 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.700 -4.206 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.045 -4.854 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.843 -4.274 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.594 -5.511 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.815 -5.633 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.316 -7.108 -0.012 1.00 0.00 H new ATOM 861 N LYS A 60 -8.174 -8.959 1.299 1.00 0.00 N ATOM 862 CA LYS A 60 -8.298 -10.356 1.696 1.00 0.00 C ATOM 863 C LYS A 60 -8.111 -10.513 3.202 1.00 0.00 C ATOM 864 O LYS A 60 -7.103 -10.079 3.760 1.00 0.00 O ATOM 865 CB LYS A 60 -7.271 -11.212 0.952 1.00 0.00 C ATOM 866 CG LYS A 60 -7.742 -11.677 -0.415 1.00 0.00 C ATOM 867 CD LYS A 60 -6.640 -12.404 -1.168 1.00 0.00 C ATOM 868 CE LYS A 60 -6.655 -13.896 -0.874 1.00 0.00 C ATOM 869 NZ LYS A 60 -7.695 -14.607 -1.668 1.00 0.00 N ATOM 0 H LYS A 60 -7.584 -8.398 1.913 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.301 -10.694 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.351 -10.640 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.029 -12.084 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.601 -12.337 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.076 -10.818 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.762 -12.242 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.672 -11.987 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.676 -14.320 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.838 -14.055 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.673 -15.621 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.632 -14.220 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.507 -14.477 -2.682 1.00 0.00 H new ATOM 883 N SER A 61 -9.087 -11.137 3.853 1.00 0.00 N ATOM 884 CA SER A 61 -9.030 -11.349 5.295 1.00 0.00 C ATOM 885 C SER A 61 -7.729 -12.040 5.692 1.00 0.00 C ATOM 886 O SER A 61 -7.182 -12.841 4.933 1.00 0.00 O ATOM 887 CB SER A 61 -10.225 -12.185 5.757 1.00 0.00 C ATOM 888 OG SER A 61 -11.437 -11.465 5.612 1.00 0.00 O ATOM 0 H SER A 61 -9.927 -11.505 3.405 1.00 0.00 H new ATOM 0 HA SER A 61 -9.067 -10.374 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.274 -13.107 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.091 -12.472 6.800 1.00 0.00 H new ATOM 0 HG SER A 61 -11.326 -10.561 5.975 1.00 0.00 H new ATOM 894 N ILE A 62 -7.238 -11.723 6.885 1.00 0.00 N ATOM 895 CA ILE A 62 -6.002 -12.313 7.384 1.00 0.00 C ATOM 896 C ILE A 62 -6.265 -13.661 8.046 1.00 0.00 C ATOM 897 O ILE A 62 -5.524 -14.622 7.837 1.00 0.00 O ATOM 898 CB ILE A 62 -5.303 -11.385 8.395 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.944 -10.053 7.733 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.058 -12.056 8.957 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.507 -8.989 8.715 1.00 0.00 C ATOM 0 H ILE A 62 -7.677 -11.061 7.524 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.350 -12.455 6.522 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.989 -11.187 9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.145 -10.219 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.807 -9.689 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.575 -11.388 9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.339 -12.981 9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.367 -12.280 8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.268 -8.072 8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.313 -8.794 9.423 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.625 -9.333 9.255 1.00 0.00 H new ATOM 913 N SER A 63 -7.326 -13.726 8.844 1.00 0.00 N ATOM 914 CA SER A 63 -7.686 -14.956 9.539 1.00 0.00 C ATOM 915 C SER A 63 -8.655 -15.788 8.704 1.00 0.00 C ATOM 916 O SER A 63 -8.408 -16.964 8.436 1.00 0.00 O ATOM 917 CB SER A 63 -8.312 -14.635 10.898 1.00 0.00 C ATOM 918 OG SER A 63 -7.465 -13.795 11.663 1.00 0.00 O ATOM 0 H SER A 63 -7.951 -12.941 9.025 1.00 0.00 H new ATOM 0 HA SER A 63 -6.776 -15.536 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.276 -14.149 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.501 -15.560 11.443 1.00 0.00 H new ATOM 0 HG SER A 63 -7.888 -13.603 12.526 1.00 0.00 H new ATOM 924 N MET A 64 -9.757 -15.168 8.297 1.00 0.00 N ATOM 925 CA MET A 64 -10.763 -15.851 7.491 1.00 0.00 C ATOM 926 C MET A 64 -10.143 -16.434 6.226 1.00 0.00 C ATOM 927 O MET A 64 -10.496 -17.534 5.798 1.00 0.00 O ATOM 928 CB MET A 64 -11.892 -14.886 7.122 1.00 0.00 C ATOM 929 CG MET A 64 -13.028 -15.544 6.357 1.00 0.00 C ATOM 930 SD MET A 64 -14.132 -16.486 7.427 1.00 0.00 S ATOM 931 CE MET A 64 -15.722 -16.094 6.703 1.00 0.00 C ATOM 0 H MET A 64 -9.977 -14.195 8.511 1.00 0.00 H new ATOM 0 HA MET A 64 -11.173 -16.669 8.083 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.289 -14.439 8.033 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.483 -14.074 6.521 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.601 -14.778 5.835 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.613 -16.206 5.597 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.510 -16.604 7.257 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.886 -15.017 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.739 -16.421 5.663 1.00 0.00 H new ATOM 941 N THR A 65 -9.215 -15.691 5.630 1.00 0.00 N ATOM 942 CA THR A 65 -8.547 -16.134 4.413 1.00 0.00 C ATOM 943 C THR A 65 -7.055 -16.339 4.649 1.00 0.00 C ATOM 944 O THR A 65 -6.419 -15.573 5.374 1.00 0.00 O ATOM 945 CB THR A 65 -8.739 -15.123 3.267 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.129 -14.811 3.117 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.196 -15.678 1.959 1.00 0.00 C ATOM 0 H THR A 65 -8.909 -14.780 5.971 1.00 0.00 H new ATOM 0 HA THR A 65 -9.002 -17.083 4.130 1.00 0.00 H new ATOM 0 HB THR A 65 -8.188 -14.216 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.243 -14.166 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.343 -14.946 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.132 -15.888 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.724 -16.598 1.707 1.00 0.00 H new ATOM 955 N THR A 66 -6.500 -17.378 4.032 1.00 0.00 N ATOM 956 CA THR A 66 -5.083 -17.685 4.175 1.00 0.00 C ATOM 957 C THR A 66 -4.270 -17.069 3.042 1.00 0.00 C ATOM 958 O THR A 66 -4.811 -16.371 2.184 1.00 0.00 O ATOM 959 CB THR A 66 -4.836 -19.205 4.201 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.084 -19.764 2.906 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.730 -19.880 5.230 1.00 0.00 C ATOM 0 H THR A 66 -7.012 -18.021 3.428 1.00 0.00 H new ATOM 0 HA THR A 66 -4.762 -17.256 5.124 1.00 0.00 H new ATOM 0 HB THR A 66 -3.796 -19.378 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.923 -20.730 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.538 -20.953 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.518 -19.473 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.775 -19.698 4.979 1.00 0.00 H new ATOM 969 N PHE A 67 -2.967 -17.331 3.044 1.00 0.00 N ATOM 970 CA PHE A 67 -2.079 -16.802 2.016 1.00 0.00 C ATOM 971 C PHE A 67 -0.973 -17.801 1.686 1.00 0.00 C ATOM 972 O PHE A 67 -0.889 -18.873 2.286 1.00 0.00 O ATOM 973 CB PHE A 67 -1.465 -15.478 2.474 1.00 0.00 C ATOM 974 CG PHE A 67 -2.466 -14.365 2.600 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.036 -13.797 1.472 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.838 -13.887 3.846 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.956 -12.772 1.585 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.759 -12.863 3.965 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.319 -12.306 2.833 1.00 0.00 C ATOM 0 H PHE A 67 -2.503 -17.907 3.746 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.669 -16.629 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.976 -15.627 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.691 -15.181 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.758 -14.159 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.403 -14.320 4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.391 -12.336 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.040 -12.499 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.040 -11.507 2.923 1.00 0.00 H new ATOM 989 N THR A 68 -0.127 -17.442 0.726 1.00 0.00 N ATOM 990 CA THR A 68 0.972 -18.305 0.314 1.00 0.00 C ATOM 991 C THR A 68 2.293 -17.543 0.295 1.00 0.00 C ATOM 992 O THR A 68 2.315 -16.328 0.103 1.00 0.00 O ATOM 993 CB THR A 68 0.721 -18.908 -1.081 1.00 0.00 C ATOM 994 OG1 THR A 68 1.866 -19.655 -1.506 1.00 0.00 O ATOM 995 CG2 THR A 68 0.417 -17.816 -2.096 1.00 0.00 C ATOM 0 H THR A 68 -0.182 -16.559 0.219 1.00 0.00 H new ATOM 0 HA THR A 68 1.031 -19.111 1.045 1.00 0.00 H new ATOM 0 HB THR A 68 -0.141 -19.572 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.697 -20.036 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.243 -18.266 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.473 -17.268 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.262 -17.131 -2.157 1.00 0.00 H new ATOM 1003 N GLN A 69 3.390 -18.266 0.494 1.00 0.00 N ATOM 1004 CA GLN A 69 4.715 -17.656 0.500 1.00 0.00 C ATOM 1005 C GLN A 69 4.801 -16.532 -0.527 1.00 0.00 C ATOM 1006 O GLN A 69 5.302 -15.447 -0.231 1.00 0.00 O ATOM 1007 CB GLN A 69 5.785 -18.710 0.210 1.00 0.00 C ATOM 1008 CG GLN A 69 7.190 -18.270 0.589 1.00 0.00 C ATOM 1009 CD GLN A 69 7.308 -17.890 2.052 1.00 0.00 C ATOM 1010 OE1 GLN A 69 6.442 -18.222 2.863 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.383 -17.192 2.398 1.00 0.00 N ATOM 0 H GLN A 69 3.388 -19.274 0.653 1.00 0.00 H new ATOM 0 HA GLN A 69 4.889 -17.234 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.540 -19.623 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.764 -18.955 -0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.891 -19.076 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.479 -17.419 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.075 -16.939 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.517 -16.909 3.369 1.00 0.00 H new ATOM 1020 N GLN A 70 4.310 -16.798 -1.732 1.00 0.00 N ATOM 1021 CA GLN A 70 4.333 -15.808 -2.802 1.00 0.00 C ATOM 1022 C GLN A 70 3.740 -14.484 -2.332 1.00 0.00 C ATOM 1023 O GLN A 70 4.422 -13.460 -2.316 1.00 0.00 O ATOM 1024 CB GLN A 70 3.560 -16.322 -4.019 1.00 0.00 C ATOM 1025 CG GLN A 70 4.140 -17.596 -4.614 1.00 0.00 C ATOM 1026 CD GLN A 70 5.549 -17.405 -5.139 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.517 -17.868 -4.535 1.00 0.00 O ATOM 1028 NE2 GLN A 70 5.672 -16.721 -6.270 1.00 0.00 N ATOM 0 H GLN A 70 3.891 -17.691 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 70 5.372 -15.640 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.525 -16.504 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.547 -15.546 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.142 -18.379 -3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.497 -17.939 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.843 -16.355 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.596 -16.561 -6.672 1.00 0.00 H new ATOM 1037 N GLU A 71 2.468 -14.514 -1.949 1.00 0.00 N ATOM 1038 CA GLU A 71 1.784 -13.314 -1.479 1.00 0.00 C ATOM 1039 C GLU A 71 2.487 -12.731 -0.256 1.00 0.00 C ATOM 1040 O GLU A 71 2.813 -11.544 -0.223 1.00 0.00 O ATOM 1041 CB GLU A 71 0.326 -13.631 -1.139 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.452 -14.233 -2.297 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.810 -13.206 -3.355 1.00 0.00 C ATOM 1044 OE1 GLU A 71 0.083 -12.828 -4.142 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -1.983 -12.782 -3.395 1.00 0.00 O ATOM 0 H GLU A 71 1.890 -15.355 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 71 1.811 -12.575 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.300 -14.322 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.170 -12.716 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.138 -15.028 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.365 -14.692 -1.917 1.00 0.00 H new ATOM 1052 N ILE A 72 2.717 -13.574 0.745 1.00 0.00 N ATOM 1053 CA ILE A 72 3.382 -13.143 1.968 1.00 0.00 C ATOM 1054 C ILE A 72 4.556 -12.219 1.660 1.00 0.00 C ATOM 1055 O ILE A 72 4.573 -11.062 2.078 1.00 0.00 O ATOM 1056 CB ILE A 72 3.890 -14.344 2.787 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.711 -15.127 3.369 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.821 -13.875 3.895 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.950 -14.369 4.435 1.00 0.00 C ATOM 0 H ILE A 72 2.453 -14.559 0.733 1.00 0.00 H new ATOM 0 HA ILE A 72 2.640 -12.601 2.555 1.00 0.00 H new ATOM 0 HB ILE A 72 4.450 -15.005 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.026 -15.390 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.079 -16.062 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.171 -14.736 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.675 -13.357 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.285 -13.195 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.129 -14.984 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.621 -14.129 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.552 -13.447 4.012 1.00 0.00 H new ATOM 1071 N GLU A 73 5.534 -12.739 0.925 1.00 0.00 N ATOM 1072 CA GLU A 73 6.711 -11.960 0.560 1.00 0.00 C ATOM 1073 C GLU A 73 6.309 -10.637 -0.084 1.00 0.00 C ATOM 1074 O GLU A 73 6.657 -9.563 0.407 1.00 0.00 O ATOM 1075 CB GLU A 73 7.600 -12.757 -0.397 1.00 0.00 C ATOM 1076 CG GLU A 73 8.205 -14.003 0.229 1.00 0.00 C ATOM 1077 CD GLU A 73 9.485 -13.712 0.988 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.522 -13.473 0.334 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.450 -13.723 2.236 1.00 0.00 O ATOM 0 H GLU A 73 5.534 -13.696 0.571 1.00 0.00 H new ATOM 0 HA GLU A 73 7.270 -11.745 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.013 -13.047 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.404 -12.113 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.480 -14.453 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.409 -14.735 -0.552 1.00 0.00 H new ATOM 1086 N PHE A 74 5.575 -10.722 -1.189 1.00 0.00 N ATOM 1087 CA PHE A 74 5.127 -9.532 -1.902 1.00 0.00 C ATOM 1088 C PHE A 74 4.703 -8.439 -0.925 1.00 0.00 C ATOM 1089 O PHE A 74 4.996 -7.260 -1.130 1.00 0.00 O ATOM 1090 CB PHE A 74 3.963 -9.878 -2.834 1.00 0.00 C ATOM 1091 CG PHE A 74 3.195 -8.677 -3.305 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.234 -8.091 -2.496 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.433 -8.132 -4.556 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.525 -6.986 -2.927 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.727 -7.027 -4.993 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.773 -6.452 -4.177 1.00 0.00 C ATOM 0 H PHE A 74 5.278 -11.603 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 74 5.962 -9.160 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.349 -10.415 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.283 -10.554 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.037 -8.503 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.179 -8.576 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.778 -6.540 -2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.921 -6.614 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.222 -5.587 -4.515 1.00 0.00 H new ATOM 1106 N LEU A 75 4.012 -8.838 0.136 1.00 0.00 N ATOM 1107 CA LEU A 75 3.547 -7.894 1.146 1.00 0.00 C ATOM 1108 C LEU A 75 4.704 -7.414 2.017 1.00 0.00 C ATOM 1109 O LEU A 75 4.725 -6.266 2.460 1.00 0.00 O ATOM 1110 CB LEU A 75 2.470 -8.540 2.019 1.00 0.00 C ATOM 1111 CG LEU A 75 1.036 -8.442 1.498 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.152 -9.480 2.171 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.482 -7.043 1.720 1.00 0.00 C ATOM 0 H LEU A 75 3.761 -9.809 0.320 1.00 0.00 H new ATOM 0 HA LEU A 75 3.121 -7.032 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.718 -9.594 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.508 -8.082 3.007 1.00 0.00 H new ATOM 0 HG LEU A 75 1.045 -8.641 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.865 -9.395 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.537 -10.478 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.149 -9.312 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.539 -6.992 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.487 -6.814 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.101 -6.318 1.191 1.00 0.00 H new ATOM 1125 N GLN A 76 5.665 -8.301 2.257 1.00 0.00 N ATOM 1126 CA GLN A 76 6.826 -7.967 3.074 1.00 0.00 C ATOM 1127 C GLN A 76 7.740 -6.987 2.346 1.00 0.00 C ATOM 1128 O GLN A 76 8.256 -6.042 2.943 1.00 0.00 O ATOM 1129 CB GLN A 76 7.602 -9.234 3.436 1.00 0.00 C ATOM 1130 CG GLN A 76 6.865 -10.144 4.405 1.00 0.00 C ATOM 1131 CD GLN A 76 7.805 -10.969 5.261 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.866 -10.497 5.670 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.419 -12.209 5.538 1.00 0.00 N ATOM 0 H GLN A 76 5.662 -9.256 1.898 1.00 0.00 H new ATOM 0 HA GLN A 76 6.471 -7.493 3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.820 -9.789 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.559 -8.951 3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.227 -9.540 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.210 -10.811 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.531 -12.559 5.178 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.010 -12.811 6.111 1.00 0.00 H new ATOM 1142 N LYS A 77 7.935 -7.217 1.052 1.00 0.00 N ATOM 1143 CA LYS A 77 8.786 -6.355 0.241 1.00 0.00 C ATOM 1144 C LYS A 77 8.225 -4.938 0.181 1.00 0.00 C ATOM 1145 O LYS A 77 8.913 -4.004 -0.232 1.00 0.00 O ATOM 1146 CB LYS A 77 8.921 -6.921 -1.175 1.00 0.00 C ATOM 1147 CG LYS A 77 7.674 -6.741 -2.023 1.00 0.00 C ATOM 1148 CD LYS A 77 8.017 -6.608 -3.497 1.00 0.00 C ATOM 1149 CE LYS A 77 8.236 -7.967 -4.144 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.211 -7.896 -5.267 1.00 0.00 N ATOM 0 H LYS A 77 7.515 -7.994 0.542 1.00 0.00 H new ATOM 0 HA LYS A 77 9.771 -6.319 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.761 -6.437 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.157 -7.983 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.009 -7.592 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.133 -5.854 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.212 -6.084 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.916 -6.002 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.596 -8.672 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.285 -8.351 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.333 -8.842 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.856 -7.243 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.126 -7.554 -4.911 1.00 0.00 H new ATOM 1164 N HIS A 78 6.972 -4.784 0.598 1.00 0.00 N ATOM 1165 CA HIS A 78 6.319 -3.480 0.593 1.00 0.00 C ATOM 1166 C HIS A 78 5.955 -3.050 2.011 1.00 0.00 C ATOM 1167 O HIS A 78 6.609 -2.189 2.597 1.00 0.00 O ATOM 1168 CB HIS A 78 5.065 -3.517 -0.280 1.00 0.00 C ATOM 1169 CG HIS A 78 5.345 -3.336 -1.740 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.297 -4.372 -2.649 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.677 -2.231 -2.448 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.589 -3.913 -3.852 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.823 -2.616 -3.758 1.00 0.00 N ATOM 0 H HIS A 78 6.389 -5.546 0.944 1.00 0.00 H new ATOM 0 HA HIS A 78 7.018 -2.752 0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.557 -4.470 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.380 -2.736 0.050 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.071 -5.342 -2.427 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.803 -1.233 -2.056 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.630 -4.498 -4.759 1.00 0.00 H new ATOM 1181 N GLY A 79 4.904 -3.656 2.556 1.00 0.00 N ATOM 1182 CA GLY A 79 4.470 -3.322 3.900 1.00 0.00 C ATOM 1183 C GLY A 79 4.166 -1.846 4.061 1.00 0.00 C ATOM 1184 O GLY A 79 4.629 -1.021 3.275 1.00 0.00 O ATOM 0 H GLY A 79 4.346 -4.372 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.580 -3.902 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.245 -3.610 4.611 1.00 0.00 H new ATOM 1188 N ASN A 80 3.384 -1.512 5.083 1.00 0.00 N ATOM 1189 CA ASN A 80 3.017 -0.125 5.343 1.00 0.00 C ATOM 1190 C ASN A 80 4.257 0.729 5.592 1.00 0.00 C ATOM 1191 O ASN A 80 4.190 1.957 5.572 1.00 0.00 O ATOM 1192 CB ASN A 80 2.077 -0.042 6.548 1.00 0.00 C ATOM 1193 CG ASN A 80 0.788 -0.810 6.330 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.682 -1.616 5.405 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.199 -0.564 7.184 1.00 0.00 N ATOM 0 H ASN A 80 2.993 -2.183 5.744 1.00 0.00 H new ATOM 0 HA ASN A 80 2.503 0.260 4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.585 -0.433 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.844 1.003 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.090 -1.052 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.066 0.112 7.936 1.00 0.00 H new ATOM 1202 N GLU A 81 5.387 0.068 5.824 1.00 0.00 N ATOM 1203 CA GLU A 81 6.641 0.767 6.077 1.00 0.00 C ATOM 1204 C GLU A 81 6.933 1.778 4.971 1.00 0.00 C ATOM 1205 O GLU A 81 6.962 2.985 5.210 1.00 0.00 O ATOM 1206 CB GLU A 81 7.795 -0.233 6.185 1.00 0.00 C ATOM 1207 CG GLU A 81 9.075 0.372 6.736 1.00 0.00 C ATOM 1208 CD GLU A 81 9.398 1.718 6.115 1.00 0.00 C ATOM 1209 OE1 GLU A 81 8.887 2.740 6.619 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.160 1.749 5.127 1.00 0.00 O ATOM 0 H GLU A 81 5.459 -0.949 5.842 1.00 0.00 H new ATOM 0 HA GLU A 81 6.544 1.304 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.489 -1.060 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.996 -0.651 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.983 0.487 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.903 -0.314 6.558 1.00 0.00 H new ATOM 1217 N VAL A 82 7.149 1.275 3.760 1.00 0.00 N ATOM 1218 CA VAL A 82 7.438 2.133 2.617 1.00 0.00 C ATOM 1219 C VAL A 82 6.155 2.561 1.913 1.00 0.00 C ATOM 1220 O VAL A 82 6.043 3.693 1.439 1.00 0.00 O ATOM 1221 CB VAL A 82 8.355 1.425 1.602 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.688 1.070 2.243 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.675 0.184 1.044 1.00 0.00 C ATOM 0 H VAL A 82 7.129 0.278 3.545 1.00 0.00 H new ATOM 0 HA VAL A 82 7.949 3.015 3.004 1.00 0.00 H new ATOM 0 HB VAL A 82 8.547 2.108 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.322 0.571 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.179 1.980 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.519 0.405 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.337 -0.303 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.450 -0.505 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.749 0.470 0.545 1.00 0.00 H new ATOM 1233 N CYS A 83 5.190 1.651 1.849 1.00 0.00 N ATOM 1234 CA CYS A 83 3.913 1.934 1.202 1.00 0.00 C ATOM 1235 C CYS A 83 3.379 3.298 1.628 1.00 0.00 C ATOM 1236 O CYS A 83 3.317 4.230 0.827 1.00 0.00 O ATOM 1237 CB CYS A 83 2.894 0.845 1.540 1.00 0.00 C ATOM 1238 SG CYS A 83 2.966 -0.597 0.451 1.00 0.00 S ATOM 0 H CYS A 83 5.267 0.711 2.237 1.00 0.00 H new ATOM 0 HA CYS A 83 4.074 1.948 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.054 0.519 2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.892 1.272 1.493 1.00 0.00 H new ATOM 0 HG CYS A 83 1.839 -0.716 -0.186 1.00 0.00 H new ATOM 1244 N LYS A 84 2.992 3.406 2.895 1.00 0.00 N ATOM 1245 CA LYS A 84 2.462 4.655 3.429 1.00 0.00 C ATOM 1246 C LYS A 84 3.281 5.846 2.943 1.00 0.00 C ATOM 1247 O LYS A 84 2.783 6.692 2.201 1.00 0.00 O ATOM 1248 CB LYS A 84 2.455 4.617 4.959 1.00 0.00 C ATOM 1249 CG LYS A 84 1.553 5.664 5.589 1.00 0.00 C ATOM 1250 CD LYS A 84 0.955 5.170 6.896 1.00 0.00 C ATOM 1251 CE LYS A 84 0.333 6.309 7.689 1.00 0.00 C ATOM 1252 NZ LYS A 84 -0.343 5.821 8.924 1.00 0.00 N ATOM 0 H LYS A 84 3.036 2.643 3.571 1.00 0.00 H new ATOM 0 HA LYS A 84 1.439 4.770 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.135 3.628 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.473 4.760 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.123 6.575 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.752 5.921 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.198 4.414 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.730 4.690 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.106 7.029 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.388 6.835 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.754 6.627 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.098 5.154 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.350 5.341 9.533 1.00 0.00 H new ATOM 1266 N GLN A 85 4.540 5.904 3.366 1.00 0.00 N ATOM 1267 CA GLN A 85 5.428 6.992 2.972 1.00 0.00 C ATOM 1268 C GLN A 85 5.297 7.290 1.482 1.00 0.00 C ATOM 1269 O GLN A 85 5.158 8.445 1.080 1.00 0.00 O ATOM 1270 CB GLN A 85 6.879 6.641 3.308 1.00 0.00 C ATOM 1271 CG GLN A 85 7.263 6.953 4.746 1.00 0.00 C ATOM 1272 CD GLN A 85 8.620 6.394 5.122 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.615 7.119 5.156 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.669 5.097 5.406 1.00 0.00 N ATOM 0 H GLN A 85 4.968 5.211 3.981 1.00 0.00 H new ATOM 0 HA GLN A 85 5.138 7.883 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.040 5.580 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.541 7.188 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.267 8.033 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.507 6.544 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.820 4.534 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.556 4.665 5.665 1.00 0.00 H new ATOM 1283 N ILE A 86 5.342 6.241 0.668 1.00 0.00 N ATOM 1284 CA ILE A 86 5.228 6.391 -0.777 1.00 0.00 C ATOM 1285 C ILE A 86 3.942 7.119 -1.154 1.00 0.00 C ATOM 1286 O ILE A 86 3.887 7.818 -2.166 1.00 0.00 O ATOM 1287 CB ILE A 86 5.258 5.025 -1.489 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.672 4.442 -1.460 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.766 5.164 -2.922 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.743 3.006 -1.930 1.00 0.00 C ATOM 0 H ILE A 86 5.457 5.278 0.985 1.00 0.00 H new ATOM 0 HA ILE A 86 6.086 6.980 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 86 4.592 4.342 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.321 5.053 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.061 4.503 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.793 4.191 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.743 5.541 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.409 5.860 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.775 2.658 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.120 2.382 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.385 2.941 -2.958 1.00 0.00 H new ATOM 1302 N TRP A 87 2.912 6.952 -0.333 1.00 0.00 N ATOM 1303 CA TRP A 87 1.626 7.596 -0.579 1.00 0.00 C ATOM 1304 C TRP A 87 1.540 8.934 0.146 1.00 0.00 C ATOM 1305 O TRP A 87 0.618 9.718 -0.083 1.00 0.00 O ATOM 1306 CB TRP A 87 0.483 6.684 -0.132 1.00 0.00 C ATOM 1307 CG TRP A 87 0.356 5.441 -0.958 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.747 4.180 -0.607 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.197 5.339 -2.275 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.470 3.301 -1.626 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.110 3.987 -2.660 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.759 6.258 -3.165 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.563 3.535 -3.896 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.208 5.807 -4.392 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.109 4.456 -4.748 1.00 0.00 C ATOM 0 H TRP A 87 2.941 6.377 0.509 1.00 0.00 H new ATOM 0 HA TRP A 87 1.537 7.779 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.637 6.405 0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.454 7.239 -0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.206 3.913 0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.665 2.300 -1.614 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.841 7.302 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.486 2.494 -4.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.643 6.509 -5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.471 4.135 -5.714 1.00 0.00 H new ATOM 1326 N LEU A 88 2.505 9.191 1.022 1.00 0.00 N ATOM 1327 CA LEU A 88 2.538 10.436 1.782 1.00 0.00 C ATOM 1328 C LEU A 88 3.772 11.259 1.426 1.00 0.00 C ATOM 1329 O LEU A 88 4.195 12.124 2.191 1.00 0.00 O ATOM 1330 CB LEU A 88 2.522 10.142 3.283 1.00 0.00 C ATOM 1331 CG LEU A 88 1.596 9.012 3.735 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.145 9.235 5.171 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.395 8.903 2.808 1.00 0.00 C ATOM 0 H LEU A 88 3.275 8.554 1.224 1.00 0.00 H new ATOM 0 HA LEU A 88 1.651 11.014 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.538 9.900 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.235 11.053 3.808 1.00 0.00 H new ATOM 0 HG LEU A 88 2.150 8.074 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.487 8.422 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.016 9.262 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.609 10.181 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.253 8.094 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.160 9.841 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.736 8.696 1.794 1.00 0.00 H new ATOM 1345 N GLY A 89 4.345 10.983 0.258 1.00 0.00 N ATOM 1346 CA GLY A 89 5.524 11.707 -0.180 1.00 0.00 C ATOM 1347 C GLY A 89 5.383 13.206 -0.002 1.00 0.00 C ATOM 1348 O GLY A 89 6.249 13.853 0.587 1.00 0.00 O ATOM 0 H GLY A 89 4.013 10.271 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.391 11.357 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.714 11.485 -1.230 1.00 0.00 H new ATOM 1352 N LEU A 90 4.289 13.760 -0.514 1.00 0.00 N ATOM 1353 CA LEU A 90 4.038 15.193 -0.410 1.00 0.00 C ATOM 1354 C LEU A 90 3.349 15.531 0.908 1.00 0.00 C ATOM 1355 O LEU A 90 3.660 16.540 1.543 1.00 0.00 O ATOM 1356 CB LEU A 90 3.179 15.667 -1.584 1.00 0.00 C ATOM 1357 CG LEU A 90 3.901 15.827 -2.922 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.898 15.994 -4.053 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.856 17.011 -2.875 1.00 0.00 C ATOM 0 H LEU A 90 3.562 13.239 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 90 4.998 15.708 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.360 14.960 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.732 16.625 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 90 4.482 14.924 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.430 16.107 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.255 15.115 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.289 16.880 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.361 17.109 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.296 17.922 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.596 16.851 -2.091 1.00 0.00 H new ATOM 1371 N PHE A 91 2.412 14.681 1.315 1.00 0.00 N ATOM 1372 CA PHE A 91 1.680 14.889 2.559 1.00 0.00 C ATOM 1373 C PHE A 91 2.600 15.434 3.648 1.00 0.00 C ATOM 1374 O PHE A 91 3.766 15.051 3.739 1.00 0.00 O ATOM 1375 CB PHE A 91 1.041 13.579 3.024 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.089 13.774 3.994 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.165 14.069 5.324 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.405 13.664 3.576 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.874 14.249 6.218 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.448 13.843 4.465 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.182 14.137 5.788 1.00 0.00 C ATOM 0 H PHE A 91 2.142 13.842 0.802 1.00 0.00 H new ATOM 0 HA PHE A 91 0.895 15.622 2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.673 13.035 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.805 12.956 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.186 14.159 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.619 13.435 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.663 14.477 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.469 13.753 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.995 14.279 6.485 1.00 0.00 H new ATOM 1391 N ASP A 92 2.067 16.331 4.469 1.00 0.00 N ATOM 1392 CA ASP A 92 2.838 16.930 5.552 1.00 0.00 C ATOM 1393 C ASP A 92 1.935 17.295 6.726 1.00 0.00 C ATOM 1394 O ASP A 92 1.171 18.258 6.659 1.00 0.00 O ATOM 1395 CB ASP A 92 3.576 18.174 5.055 1.00 0.00 C ATOM 1396 CG ASP A 92 4.950 17.850 4.501 1.00 0.00 C ATOM 1397 OD1 ASP A 92 5.692 17.094 5.162 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.283 18.352 3.407 1.00 0.00 O ATOM 0 H ASP A 92 1.104 16.660 4.405 1.00 0.00 H new ATOM 0 HA ASP A 92 3.568 16.196 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.981 18.661 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.677 18.885 5.875 1.00 0.00 H new ATOM 1403 N ASP A 93 2.026 16.518 7.800 1.00 0.00 N ATOM 1404 CA ASP A 93 1.217 16.759 8.989 1.00 0.00 C ATOM 1405 C ASP A 93 1.153 18.249 9.310 1.00 0.00 C ATOM 1406 O ASP A 93 0.154 18.738 9.838 1.00 0.00 O ATOM 1407 CB ASP A 93 1.786 15.992 10.183 1.00 0.00 C ATOM 1408 CG ASP A 93 1.209 16.464 11.503 1.00 0.00 C ATOM 1409 OD1 ASP A 93 -0.002 16.766 11.547 1.00 0.00 O ATOM 1410 OD2 ASP A 93 1.968 16.532 12.493 1.00 0.00 O ATOM 0 H ASP A 93 2.652 15.716 7.871 1.00 0.00 H new ATOM 0 HA ASP A 93 0.206 16.405 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.580 14.929 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.870 16.107 10.202 1.00 0.00 H new ATOM 1415 N ARG A 94 2.226 18.965 8.989 1.00 0.00 N ATOM 1416 CA ARG A 94 2.293 20.399 9.245 1.00 0.00 C ATOM 1417 C ARG A 94 1.082 21.114 8.653 1.00 0.00 C ATOM 1418 O ARG A 94 0.342 21.795 9.363 1.00 0.00 O ATOM 1419 CB ARG A 94 3.580 20.983 8.660 1.00 0.00 C ATOM 1420 CG ARG A 94 4.788 20.825 9.568 1.00 0.00 C ATOM 1421 CD ARG A 94 5.295 19.392 9.577 1.00 0.00 C ATOM 1422 NE ARG A 94 4.645 18.588 10.609 1.00 0.00 N ATOM 1423 CZ ARG A 94 5.037 18.566 11.878 1.00 0.00 C ATOM 1424 NH1 ARG A 94 6.069 19.300 12.270 1.00 0.00 N ATOM 1425 NH2 ARG A 94 4.395 17.809 12.759 1.00 0.00 N ATOM 0 H ARG A 94 3.061 18.575 8.551 1.00 0.00 H new ATOM 0 HA ARG A 94 2.291 20.551 10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.788 20.499 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.427 22.042 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.584 21.491 9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.524 21.125 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.120 18.939 8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.373 19.390 9.741 1.00 0.00 H new ATOM 0 HE ARG A 94 3.847 18.012 10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.565 19.884 11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.367 19.281 13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.600 17.243 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.697 17.793 13.733 1.00 0.00 H new ATOM 1439 N SER A 95 0.886 20.954 7.348 1.00 0.00 N ATOM 1440 CA SER A 95 -0.233 21.587 6.660 1.00 0.00 C ATOM 1441 C SER A 95 -1.491 20.731 6.766 1.00 0.00 C ATOM 1442 O SER A 95 -2.430 21.075 7.484 1.00 0.00 O ATOM 1443 CB SER A 95 0.114 21.824 5.189 1.00 0.00 C ATOM 1444 OG SER A 95 -0.896 22.577 4.541 1.00 0.00 O ATOM 0 H SER A 95 1.487 20.392 6.746 1.00 0.00 H new ATOM 0 HA SER A 95 -0.426 22.546 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.066 22.350 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.239 20.867 4.683 1.00 0.00 H new ATOM 0 HG SER A 95 -0.649 22.716 3.603 1.00 0.00 H new ATOM 1450 N SER A 96 -1.502 19.614 6.045 1.00 0.00 N ATOM 1451 CA SER A 96 -2.646 18.710 6.054 1.00 0.00 C ATOM 1452 C SER A 96 -2.779 18.016 7.407 1.00 0.00 C ATOM 1453 O SER A 96 -1.828 17.964 8.186 1.00 0.00 O ATOM 1454 CB SER A 96 -2.506 17.666 4.945 1.00 0.00 C ATOM 1455 OG SER A 96 -3.776 17.235 4.487 1.00 0.00 O ATOM 0 H SER A 96 -0.732 19.314 5.448 1.00 0.00 H new ATOM 0 HA SER A 96 -3.545 19.300 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.940 18.087 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.940 16.811 5.315 1.00 0.00 H new ATOM 0 HG SER A 96 -3.659 16.569 3.778 1.00 0.00 H new ATOM 1461 N ALA A 97 -3.967 17.484 7.677 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.225 16.792 8.934 1.00 0.00 C ATOM 1463 C ALA A 97 -5.077 15.547 8.709 1.00 0.00 C ATOM 1464 O ALA A 97 -6.113 15.604 8.047 1.00 0.00 O ATOM 1465 CB ALA A 97 -4.905 17.728 9.922 1.00 0.00 C ATOM 0 H ALA A 97 -4.765 17.519 7.043 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.268 16.476 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.092 17.198 10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.260 18.585 10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.851 18.072 9.505 1.00 0.00 H new ATOM 1471 N ILE A 98 -4.633 14.424 9.265 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.356 13.166 9.125 1.00 0.00 C ATOM 1473 C ILE A 98 -6.818 13.324 9.529 1.00 0.00 C ATOM 1474 O ILE A 98 -7.142 13.903 10.566 1.00 0.00 O ATOM 1475 CB ILE A 98 -4.717 12.053 9.975 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.243 11.880 9.604 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.472 10.745 9.790 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.029 11.094 8.329 1.00 0.00 C ATOM 0 H ILE A 98 -3.777 14.360 9.816 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.301 12.885 8.073 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.777 12.339 11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.786 12.864 9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.727 11.377 10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.008 9.968 10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.509 10.877 10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.441 10.452 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.961 11.011 8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.456 10.097 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.516 11.607 7.499 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.723 12.795 8.693 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.166 12.862 8.943 1.00 0.00 C ATOM 1492 C PRO A 99 -9.592 11.985 10.115 1.00 0.00 C ATOM 1493 O PRO A 99 -8.754 11.400 10.802 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.777 12.345 7.638 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.723 11.475 7.045 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.408 12.091 7.439 1.00 0.00 C ATOM 0 HA PRO A 99 -9.487 13.869 9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.694 11.785 7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.035 13.166 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.803 10.454 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.822 11.426 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.638 11.334 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.040 12.776 6.675 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.899 11.899 10.339 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.436 11.092 11.428 1.00 0.00 C ATOM 1506 C ASP A 100 -11.615 9.641 10.992 1.00 0.00 C ATOM 1507 O ASP A 100 -11.611 9.335 9.800 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.773 11.663 11.903 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.795 11.750 10.786 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -14.048 10.716 10.132 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.343 12.850 10.568 1.00 0.00 O ATOM 0 H ASP A 100 -11.606 12.378 9.781 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.724 11.120 12.253 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.167 11.038 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.612 12.656 12.323 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.770 8.751 11.967 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.948 7.331 11.684 1.00 0.00 C ATOM 1518 C PHE A 101 -13.285 6.832 12.224 1.00 0.00 C ATOM 1519 O PHE A 101 -13.383 5.715 12.731 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.803 6.520 12.295 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.467 7.199 12.193 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.928 7.515 10.956 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.750 7.520 13.334 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.699 8.139 10.858 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.520 8.145 13.242 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.994 8.454 12.003 1.00 0.00 C ATOM 0 H PHE A 101 -11.776 8.988 12.959 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.941 7.198 10.602 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.025 6.327 13.345 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.748 5.552 11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.475 7.271 10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.156 7.280 14.306 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.290 8.380 9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.971 8.391 14.139 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.033 8.941 11.930 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.311 7.669 12.113 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.642 7.315 12.591 1.00 0.00 C ATOM 1538 C ARG A 102 -16.684 7.508 11.494 1.00 0.00 C ATOM 1539 O ARG A 102 -17.708 6.825 11.469 1.00 0.00 O ATOM 1540 CB ARG A 102 -16.009 8.160 13.813 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.989 8.081 14.937 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.495 8.766 16.197 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.909 8.192 17.405 1.00 0.00 N ATOM 1544 CZ ARG A 102 -14.967 8.773 18.598 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -15.583 9.939 18.742 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -14.410 8.188 19.650 1.00 0.00 N ATOM 0 H ARG A 102 -14.246 8.598 11.696 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.631 6.263 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.118 9.200 13.505 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.979 7.836 14.190 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.765 7.037 15.154 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.057 8.547 14.617 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.261 9.829 16.150 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.581 8.681 16.245 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.429 7.295 17.328 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.013 10.391 17.936 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.626 10.383 19.659 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.936 7.291 19.543 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.455 8.635 20.566 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.416 8.443 10.589 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.329 8.726 9.488 1.00 0.00 C ATOM 1562 C ASP A 103 -16.742 8.258 8.160 1.00 0.00 C ATOM 1563 O ASP A 103 -15.628 8.622 7.784 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.637 10.223 9.425 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.816 10.609 10.297 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.603 10.871 11.499 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.951 10.648 9.778 1.00 0.00 O ATOM 0 H ASP A 103 -15.574 9.018 10.596 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.255 8.180 9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.757 10.785 9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.845 10.505 8.393 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.508 7.431 7.432 1.00 0.00 N ATOM 1573 CA PRO A 104 -17.083 6.896 6.136 1.00 0.00 C ATOM 1574 C PRO A 104 -17.040 7.967 5.052 1.00 0.00 C ATOM 1575 O PRO A 104 -16.279 7.859 4.090 1.00 0.00 O ATOM 1576 CB PRO A 104 -18.157 5.853 5.814 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.361 6.305 6.565 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.846 6.956 7.820 1.00 0.00 C ATOM 0 HA PRO A 104 -16.072 6.490 6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.354 5.805 4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.847 4.856 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.949 7.007 5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -20.013 5.464 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.487 7.778 8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.797 6.249 8.649 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.860 9.000 5.214 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.914 10.092 4.248 1.00 0.00 C ATOM 1588 C GLN A 105 -16.569 10.803 4.155 1.00 0.00 C ATOM 1589 O GLN A 105 -16.055 11.042 3.061 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.006 11.090 4.636 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.416 10.562 4.424 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.863 9.630 5.533 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.656 9.908 6.715 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -21.481 8.517 5.158 1.00 0.00 N ATOM 0 H GLN A 105 -18.496 9.104 6.005 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.149 9.669 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.882 11.362 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.877 12.002 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -21.108 11.401 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.463 10.035 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.632 8.326 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.805 7.852 5.860 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.001 11.139 5.308 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.714 11.823 5.357 1.00 0.00 C ATOM 1605 C LYS A 106 -13.593 10.907 4.877 1.00 0.00 C ATOM 1606 O LYS A 106 -12.893 11.219 3.913 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.422 12.301 6.781 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.396 13.353 7.282 1.00 0.00 C ATOM 1609 CD LYS A 106 -14.927 14.757 6.937 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.396 15.771 7.969 1.00 0.00 C ATOM 1611 NZ LYS A 106 -14.410 15.934 9.073 1.00 0.00 N ATOM 0 H LYS A 106 -16.412 10.949 6.222 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.763 12.686 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.447 11.445 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.411 12.707 6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.379 13.179 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.508 13.261 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.839 14.774 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.304 15.036 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.561 16.733 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.354 15.453 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.766 16.633 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.271 15.021 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.503 16.261 8.683 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.428 9.775 5.555 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.393 8.813 5.195 1.00 0.00 C ATOM 1627 C VAL A 107 -12.379 8.557 3.692 1.00 0.00 C ATOM 1628 O VAL A 107 -11.317 8.489 3.073 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.592 7.475 5.931 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.532 6.469 5.506 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.565 7.686 7.437 1.00 0.00 C ATOM 0 H VAL A 107 -13.998 9.502 6.356 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.439 9.246 5.495 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.569 7.074 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.688 5.530 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.604 6.296 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.543 6.860 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.707 6.730 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.604 8.110 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.365 8.369 7.723 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.565 8.417 3.110 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.691 8.170 1.679 1.00 0.00 C ATOM 1643 C LYS A 108 -13.025 9.281 0.874 1.00 0.00 C ATOM 1644 O LYS A 108 -12.082 9.036 0.123 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.166 8.057 1.288 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.383 7.675 -0.166 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.743 7.032 -0.378 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.887 6.482 -1.788 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.330 5.107 -1.907 1.00 0.00 N ATOM 0 H LYS A 108 -14.454 8.470 3.608 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.188 7.230 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.646 7.315 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.658 9.010 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.298 8.563 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.600 6.985 -0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.882 6.227 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.527 7.766 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.940 6.472 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.377 7.142 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.448 4.768 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.319 5.120 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.834 4.471 -1.257 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.521 10.504 1.039 1.00 0.00 N ATOM 1664 CA GLU A 109 -12.971 11.652 0.328 1.00 0.00 C ATOM 1665 C GLU A 109 -11.450 11.686 0.442 1.00 0.00 C ATOM 1666 O GLU A 109 -10.740 11.629 -0.562 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.564 12.952 0.878 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.072 13.050 0.715 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.550 14.480 0.558 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.336 15.062 -0.525 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.139 15.017 1.520 1.00 0.00 O ATOM 0 H GLU A 109 -14.301 10.725 1.658 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.237 11.556 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.315 13.036 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.097 13.797 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.378 12.471 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.557 12.602 1.582 1.00 0.00 H new ATOM 1678 N PHE A 110 -10.957 11.781 1.672 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.520 11.824 1.919 1.00 0.00 C ATOM 1680 C PHE A 110 -8.813 10.667 1.220 1.00 0.00 C ATOM 1681 O PHE A 110 -7.802 10.860 0.543 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.237 11.777 3.422 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.793 11.532 3.752 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.200 10.312 3.468 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.027 12.522 4.347 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.871 10.084 3.771 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.698 12.300 4.652 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.119 11.079 4.364 1.00 0.00 C ATOM 0 H PHE A 110 -11.531 11.830 2.514 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.135 12.760 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.550 12.719 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.843 10.991 3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.783 9.530 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.474 13.478 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.421 9.129 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.112 13.080 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.080 10.903 4.602 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.352 9.464 1.388 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.774 8.274 0.774 1.00 0.00 C ATOM 1700 C LEU A 111 -8.652 8.445 -0.737 1.00 0.00 C ATOM 1701 O LEU A 111 -7.592 8.208 -1.314 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.627 7.046 1.093 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.274 6.298 2.379 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.241 5.148 2.611 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.841 5.789 2.323 1.00 0.00 C ATOM 0 H LEU A 111 -10.188 9.287 1.944 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.775 8.131 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.670 7.358 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.551 6.349 0.259 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.360 6.992 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.974 4.628 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.256 5.537 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.188 4.453 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.607 5.259 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.729 5.111 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.160 6.632 2.206 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.745 8.859 -1.370 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.760 9.063 -2.814 1.00 0.00 C ATOM 1719 C GLN A 112 -8.680 10.054 -3.235 1.00 0.00 C ATOM 1720 O GLN A 112 -7.905 9.788 -4.152 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.133 9.564 -3.265 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.202 8.483 -3.276 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.572 9.022 -3.637 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -14.216 8.538 -4.569 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.026 10.028 -2.900 1.00 0.00 N ATOM 0 H GLN A 112 -10.631 9.060 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.555 8.106 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.451 10.371 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.045 9.987 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.922 7.707 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.248 8.013 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.459 10.398 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.942 10.431 -3.096 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.636 11.197 -2.557 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.651 12.228 -2.863 1.00 0.00 C ATOM 1736 C GLU A 113 -6.233 11.688 -2.707 1.00 0.00 C ATOM 1737 O GLU A 113 -5.266 12.314 -3.144 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.850 13.441 -1.951 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.245 14.038 -2.027 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.508 14.740 -3.345 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.721 15.639 -3.707 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.502 14.389 -4.016 1.00 0.00 O ATOM 0 H GLU A 113 -9.270 11.432 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.793 12.534 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.645 13.148 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.121 14.207 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.982 13.248 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.378 14.746 -1.209 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.115 10.522 -2.081 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.816 9.896 -1.868 1.00 0.00 C ATOM 1751 C LYS A 114 -4.696 8.605 -2.671 1.00 0.00 C ATOM 1752 O LYS A 114 -3.600 8.071 -2.846 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.605 9.606 -0.380 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.531 8.566 -0.109 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.355 8.321 1.380 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.920 6.891 1.662 1.00 0.00 C ATOM 1757 NZ LYS A 114 -3.992 5.911 1.332 1.00 0.00 N ATOM 0 H LYS A 114 -6.904 9.991 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.046 10.588 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.338 10.533 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.546 9.265 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.795 7.631 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.586 8.898 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.613 9.013 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.293 8.526 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.027 6.662 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.650 6.794 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.157 5.289 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.869 6.420 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.699 5.339 0.514 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.828 8.108 -3.156 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.849 6.879 -3.940 1.00 0.00 C ATOM 1773 C TYR A 115 -6.362 7.142 -5.353 1.00 0.00 C ATOM 1774 O TYR A 115 -5.699 6.812 -6.336 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.725 5.828 -3.255 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.979 4.978 -2.252 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.805 4.323 -2.603 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.447 4.832 -0.952 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.121 3.545 -1.690 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.768 4.057 -0.031 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.606 3.415 -0.405 1.00 0.00 C ATOM 1782 OH TYR A 115 -3.926 2.642 0.508 1.00 0.00 O ATOM 0 H TYR A 115 -6.743 8.537 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.828 6.504 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.551 6.329 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.161 5.180 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.421 4.424 -3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.357 5.333 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.211 3.041 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.145 3.955 0.976 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.015 3.036 1.401 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.546 7.740 -5.444 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.147 8.047 -6.736 1.00 0.00 C ATOM 1794 C GLU A 116 -7.410 9.195 -7.420 1.00 0.00 C ATOM 1795 O GLU A 116 -6.890 9.043 -8.526 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.624 8.407 -6.563 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.551 7.203 -6.584 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.992 7.581 -6.867 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.413 8.675 -6.437 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.698 6.782 -7.518 1.00 0.00 O ATOM 0 H GLU A 116 -8.107 8.021 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.067 7.160 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.752 8.937 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.917 9.094 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.208 6.499 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.496 6.690 -5.624 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.369 10.344 -6.755 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.696 11.519 -7.296 1.00 0.00 C ATOM 1809 C LYS A 117 -5.181 11.369 -7.202 1.00 0.00 C ATOM 1810 O LYS A 117 -4.438 11.957 -7.989 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.141 12.778 -6.549 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.649 12.909 -6.423 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.242 13.672 -7.596 1.00 0.00 C ATOM 1814 CE LYS A 117 -9.614 12.739 -8.738 1.00 0.00 C ATOM 1815 NZ LYS A 117 -10.675 13.320 -9.606 1.00 0.00 N ATOM 0 H LYS A 117 -7.795 10.487 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.971 11.612 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.700 12.774 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.750 13.654 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.098 11.917 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.894 13.422 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.127 14.217 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.525 14.413 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.729 12.529 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.957 11.787 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -10.900 12.654 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.529 13.497 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.338 14.215 -10.014 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.728 10.577 -6.237 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.301 10.346 -6.041 1.00 0.00 C ATOM 1831 C LYS A 118 -2.565 11.661 -5.807 1.00 0.00 C ATOM 1832 O LYS A 118 -1.465 11.867 -6.319 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.709 9.627 -7.255 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.149 8.178 -7.378 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.662 7.556 -8.676 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.256 6.993 -8.531 1.00 0.00 C ATOM 1837 NZ LYS A 118 -0.555 6.908 -9.842 1.00 0.00 N ATOM 0 H LYS A 118 -5.329 10.083 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.177 9.718 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.996 10.163 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.621 9.664 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.764 7.607 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.237 8.122 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.344 6.761 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.675 8.305 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.681 7.622 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.306 6.001 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -0.314 5.916 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.176 7.273 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 0.316 7.476 -9.807 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.178 12.547 -5.028 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.580 13.842 -4.726 1.00 0.00 C ATOM 1853 C ARG A 119 -1.155 13.674 -4.207 1.00 0.00 C ATOM 1854 O ARG A 119 -0.193 14.070 -4.866 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.426 14.590 -3.694 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.359 16.102 -3.832 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.647 16.761 -3.365 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.528 18.216 -3.307 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.391 18.999 -2.670 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.430 18.470 -2.039 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.214 20.314 -2.662 1.00 0.00 N ATOM 0 H ARG A 119 -4.088 12.391 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.547 14.423 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.464 14.271 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.095 14.310 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.521 16.485 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.171 16.366 -4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.458 16.490 -4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.913 16.379 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.739 18.654 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.568 17.459 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.091 19.074 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.415 20.724 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.877 20.915 -2.173 1.00 0.00 H new ATOM 1875 N TRP A 120 -1.027 13.087 -3.023 1.00 0.00 N ATOM 1876 CA TRP A 120 0.280 12.868 -2.415 1.00 0.00 C ATOM 1877 C TRP A 120 0.905 11.572 -2.920 1.00 0.00 C ATOM 1878 O TRP A 120 1.333 10.729 -2.131 1.00 0.00 O ATOM 1879 CB TRP A 120 0.158 12.829 -0.891 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.689 13.934 -0.335 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.290 15.210 -0.054 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.077 13.861 0.008 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.347 15.934 0.444 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.455 15.129 0.491 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.038 12.848 -0.048 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.751 15.408 0.915 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.324 13.126 0.374 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.671 14.397 0.850 1.00 0.00 C ATOM 0 H TRP A 120 -1.813 12.754 -2.464 1.00 0.00 H new ATOM 0 HA TRP A 120 0.928 13.697 -2.699 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.266 11.870 -0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.154 12.888 -0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.709 15.593 -0.201 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.312 16.912 0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.780 11.865 -0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.021 16.387 1.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.074 12.350 0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.685 14.583 1.172 1.00 0.00 H new ATOM 1899 N TYR A 121 0.955 11.419 -4.239 1.00 0.00 N ATOM 1900 CA TYR A 121 1.526 10.224 -4.848 1.00 0.00 C ATOM 1901 C TYR A 121 2.974 10.463 -5.265 1.00 0.00 C ATOM 1902 O TYR A 121 3.280 11.429 -5.964 1.00 0.00 O ATOM 1903 CB TYR A 121 0.698 9.800 -6.063 1.00 0.00 C ATOM 1904 CG TYR A 121 1.348 8.713 -6.889 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.721 7.505 -6.314 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.587 8.895 -8.246 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.316 6.510 -7.065 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.180 7.904 -9.005 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.543 6.714 -8.410 1.00 0.00 C ATOM 1910 OH TYR A 121 3.134 5.725 -9.163 1.00 0.00 O ATOM 0 H TYR A 121 0.607 12.108 -4.906 1.00 0.00 H new ATOM 0 HA TYR A 121 1.507 9.425 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.278 9.453 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.524 10.671 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.543 7.341 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.305 9.826 -8.715 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.602 5.577 -6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.358 8.061 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 121 3.221 6.028 -10.091 1.00 0.00 H new ATOM 1920 N VAL A 122 3.862 9.575 -4.830 1.00 0.00 N ATOM 1921 CA VAL A 122 5.279 9.687 -5.157 1.00 0.00 C ATOM 1922 C VAL A 122 5.948 8.318 -5.180 1.00 0.00 C ATOM 1923 O VAL A 122 6.211 7.711 -4.141 1.00 0.00 O ATOM 1924 CB VAL A 122 6.018 10.591 -4.153 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.514 10.581 -4.425 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.467 12.009 -4.207 1.00 0.00 C ATOM 0 H VAL A 122 3.625 8.770 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 122 5.340 10.134 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 122 5.853 10.199 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.019 11.225 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.894 9.564 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.703 10.947 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.001 12.634 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.599 12.413 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.406 11.997 -3.958 1.00 0.00 H new ATOM 1936 N PRO A 123 6.231 7.817 -6.391 1.00 0.00 N ATOM 1937 CA PRO A 123 6.874 6.513 -6.578 1.00 0.00 C ATOM 1938 C PRO A 123 8.332 6.517 -6.131 1.00 0.00 C ATOM 1939 O PRO A 123 9.029 7.528 -6.212 1.00 0.00 O ATOM 1940 CB PRO A 123 6.780 6.284 -8.089 1.00 0.00 C ATOM 1941 CG PRO A 123 6.694 7.652 -8.675 1.00 0.00 C ATOM 1942 CD PRO A 123 5.946 8.486 -7.672 1.00 0.00 C ATOM 0 HA PRO A 123 6.396 5.734 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.652 5.747 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.904 5.688 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.688 8.061 -8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.174 7.634 -9.633 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.292 9.520 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.877 8.508 -7.885 1.00 0.00 H new ATOM 1950 N PRO A 124 8.806 5.359 -5.647 1.00 0.00 N ATOM 1951 CA PRO A 124 10.186 5.203 -5.178 1.00 0.00 C ATOM 1952 C PRO A 124 11.196 5.252 -6.320 1.00 0.00 C ATOM 1953 O PRO A 124 12.297 5.778 -6.164 1.00 0.00 O ATOM 1954 CB PRO A 124 10.184 3.818 -4.525 1.00 0.00 C ATOM 1955 CG PRO A 124 9.079 3.083 -5.200 1.00 0.00 C ATOM 1956 CD PRO A 124 8.031 4.113 -5.521 1.00 0.00 C ATOM 0 HA PRO A 124 10.481 6.007 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.139 3.313 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.015 3.887 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.434 2.592 -6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.676 2.305 -4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.502 3.874 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.282 4.184 -4.732 1.00 0.00 H new ATOM 1964 N GLU A 125 10.812 4.701 -7.467 1.00 0.00 N ATOM 1965 CA GLU A 125 11.685 4.682 -8.635 1.00 0.00 C ATOM 1966 C GLU A 125 12.479 5.981 -8.741 1.00 0.00 C ATOM 1967 O GLU A 125 13.632 5.982 -9.170 1.00 0.00 O ATOM 1968 CB GLU A 125 10.866 4.466 -9.909 1.00 0.00 C ATOM 1969 CG GLU A 125 10.626 3.002 -10.237 1.00 0.00 C ATOM 1970 CD GLU A 125 9.352 2.783 -11.028 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.411 2.827 -12.275 1.00 0.00 O ATOM 1972 OE2 GLU A 125 8.294 2.566 -10.400 1.00 0.00 O ATOM 0 H GLU A 125 9.903 4.262 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 125 12.386 3.856 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.904 4.968 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.381 4.938 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 125 11.473 2.617 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.577 2.429 -9.311 1.00 0.00 H new ATOM 1979 N GLN A 126 11.851 7.085 -8.348 1.00 0.00 N ATOM 1980 CA GLN A 126 12.497 8.391 -8.401 1.00 0.00 C ATOM 1981 C GLN A 126 13.050 8.780 -7.034 1.00 0.00 C ATOM 1982 O GLN A 126 14.202 9.197 -6.915 1.00 0.00 O ATOM 1983 CB GLN A 126 11.510 9.453 -8.886 1.00 0.00 C ATOM 1984 CG GLN A 126 12.179 10.663 -9.519 1.00 0.00 C ATOM 1985 CD GLN A 126 13.227 10.279 -10.545 1.00 0.00 C ATOM 1986 OE1 GLN A 126 12.904 9.773 -11.620 1.00 0.00 O ATOM 1987 NE2 GLN A 126 14.491 10.519 -10.219 1.00 0.00 N ATOM 0 H GLN A 126 10.896 7.101 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 126 13.327 8.329 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.832 9.003 -9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.902 9.784 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.421 11.285 -9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.643 11.266 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 126 14.714 10.940 -9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 126 15.239 10.282 -10.870 1.00 0.00 H new ATOM 1996 N ALA A 127 12.221 8.642 -6.005 1.00 0.00 N ATOM 1997 CA ALA A 127 12.627 8.978 -4.646 1.00 0.00 C ATOM 1998 C ALA A 127 13.942 8.296 -4.281 1.00 0.00 C ATOM 1999 O ALA A 127 14.915 8.956 -3.918 1.00 0.00 O ATOM 2000 CB ALA A 127 11.537 8.589 -3.658 1.00 0.00 C ATOM 0 H ALA A 127 11.264 8.300 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 127 12.781 10.056 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.854 8.846 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.620 9.126 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.356 7.516 -3.720 1.00 0.00 H new ATOM 2006 N LYS A 128 13.963 6.971 -4.381 1.00 0.00 N ATOM 2007 CA LYS A 128 15.158 6.199 -4.062 1.00 0.00 C ATOM 2008 C LYS A 128 16.210 6.349 -5.156 1.00 0.00 C ATOM 2009 O LYS A 128 16.210 5.605 -6.137 1.00 0.00 O ATOM 2010 CB LYS A 128 14.802 4.721 -3.882 1.00 0.00 C ATOM 2011 CG LYS A 128 15.936 3.888 -3.310 1.00 0.00 C ATOM 2012 CD LYS A 128 15.619 2.403 -3.366 1.00 0.00 C ATOM 2013 CE LYS A 128 16.044 1.792 -4.692 1.00 0.00 C ATOM 2014 NZ LYS A 128 15.229 2.307 -5.827 1.00 0.00 N ATOM 0 H LYS A 128 13.166 6.410 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 128 15.571 6.584 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.936 4.642 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 128 14.508 4.306 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 128 16.852 4.087 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.121 4.183 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.127 1.891 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.549 2.253 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.096 2.011 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.949 0.707 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.286 1.642 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.238 2.404 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.593 3.235 -6.123 1.00 0.00 H new ATOM 2028 N SER A 129 17.106 7.315 -4.981 1.00 0.00 N ATOM 2029 CA SER A 129 18.162 7.564 -5.955 1.00 0.00 C ATOM 2030 C SER A 129 19.322 6.593 -5.758 1.00 0.00 C ATOM 2031 O SER A 129 19.836 6.438 -4.651 1.00 0.00 O ATOM 2032 CB SER A 129 18.663 9.005 -5.838 1.00 0.00 C ATOM 2033 OG SER A 129 19.227 9.449 -7.060 1.00 0.00 O ATOM 0 H SER A 129 17.122 7.938 -4.174 1.00 0.00 H new ATOM 0 HA SER A 129 17.747 7.411 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 129 17.838 9.659 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.408 9.071 -5.045 1.00 0.00 H new ATOM 0 HG SER A 129 19.538 10.373 -6.960 1.00 0.00 H new ATOM 2039 N GLY A 130 19.730 5.939 -6.842 1.00 0.00 N ATOM 2040 CA GLY A 130 20.826 4.991 -6.768 1.00 0.00 C ATOM 2041 C GLY A 130 21.335 4.586 -8.137 1.00 0.00 C ATOM 2042 O GLY A 130 20.568 4.436 -9.089 1.00 0.00 O ATOM 0 H GLY A 130 19.321 6.049 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 130 21.643 5.429 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 130 20.498 4.103 -6.228 1.00 0.00 H new ATOM 2046 N PRO A 131 22.659 4.403 -8.250 1.00 0.00 N ATOM 2047 CA PRO A 131 23.299 4.011 -9.510 1.00 0.00 C ATOM 2048 C PRO A 131 22.968 2.577 -9.907 1.00 0.00 C ATOM 2049 O PRO A 131 23.023 2.220 -11.084 1.00 0.00 O ATOM 2050 CB PRO A 131 24.793 4.151 -9.206 1.00 0.00 C ATOM 2051 CG PRO A 131 24.897 3.984 -7.730 1.00 0.00 C ATOM 2052 CD PRO A 131 23.633 4.563 -7.158 1.00 0.00 C ATOM 0 HA PRO A 131 22.961 4.622 -10.347 1.00 0.00 H new ATOM 0 HB2 PRO A 131 25.376 3.395 -9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 131 25.172 5.123 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 131 25.000 2.932 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 131 25.774 4.500 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 131 23.319 4.033 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 131 23.759 5.610 -6.883 1.00 0.00 H new ATOM 2060 N SER A 132 22.623 1.758 -8.918 1.00 0.00 N ATOM 2061 CA SER A 132 22.285 0.361 -9.164 1.00 0.00 C ATOM 2062 C SER A 132 20.840 0.073 -8.770 1.00 0.00 C ATOM 2063 O SER A 132 20.499 0.056 -7.587 1.00 0.00 O ATOM 2064 CB SER A 132 23.230 -0.558 -8.388 1.00 0.00 C ATOM 2065 OG SER A 132 24.585 -0.240 -8.656 1.00 0.00 O ATOM 0 H SER A 132 22.570 2.038 -7.939 1.00 0.00 H new ATOM 0 HA SER A 132 22.397 0.169 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 132 23.036 -0.466 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 132 23.036 -1.596 -8.659 1.00 0.00 H new ATOM 0 HG SER A 132 25.169 -0.840 -8.147 1.00 0.00 H new ATOM 2071 N SER A 133 19.994 -0.152 -9.770 1.00 0.00 N ATOM 2072 CA SER A 133 18.584 -0.436 -9.529 1.00 0.00 C ATOM 2073 C SER A 133 18.059 -1.466 -10.524 1.00 0.00 C ATOM 2074 O SER A 133 18.276 -1.348 -11.730 1.00 0.00 O ATOM 2075 CB SER A 133 17.760 0.850 -9.626 1.00 0.00 C ATOM 2076 OG SER A 133 17.731 1.338 -10.956 1.00 0.00 O ATOM 0 H SER A 133 20.260 -0.143 -10.755 1.00 0.00 H new ATOM 0 HA SER A 133 18.488 -0.846 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 133 16.743 0.661 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 133 18.183 1.608 -8.966 1.00 0.00 H new ATOM 0 HG SER A 133 17.933 0.607 -11.577 1.00 0.00 H new ATOM 2082 N GLY A 134 17.366 -2.477 -10.010 1.00 0.00 N ATOM 2083 CA GLY A 134 16.821 -3.514 -10.866 1.00 0.00 C ATOM 2084 C GLY A 134 17.384 -4.885 -10.548 1.00 0.00 C ATOM 2085 O GLY A 134 18.153 -5.417 -11.347 1.00 0.00 O ATOM 0 H GLY A 134 17.172 -2.596 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.737 -3.536 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 134 17.033 -3.270 -11.907 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.890 0.201 8.648 1.00 0.00 ZN