USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1032 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= -3.17! C(o=-3.7!,f=-6.8!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.525 K(o=-3.7,f=-4.6) USER MOD Set 2.1: A 10 MET CE :methyl -148:sc= -0.145 (180deg=0) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.144 X(o=-0.29,f=-0.0038) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.144 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -135:sc= -0.555 (180deg=-3.8!) USER MOD Single : A 15 THR OG1 : rot -50:sc= 1.23 USER MOD Single : A 19 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-12!) USER MOD Single : A 20 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot -66:sc= 1.07 USER MOD Single : A 33 TYR OH : rot -93:sc= 0.0411 USER MOD Single : A 36 MET CE :methyl -161:sc= -1.73 (180deg=-2.64) USER MOD Single : A 37 THR OG1 : rot -130:sc= 0.404 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -53:sc= 1.09 USER MOD Single : A 49 SER OG : rot -100:sc= -0.0257 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= -0.0903 (180deg=-1.2) USER MOD Single : A 61 SER OG : rot -2:sc= 1.7 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 3:sc= 0.337 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 69 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.85) USER MOD Single : A 70 GLN : amide:sc= -4.27! C(o=-4.3!,f=-7.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -2.46 K(o=-2.5,f=-17!) USER MOD Single : A 83 CYS SG : rot -160:sc= -0.704 USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= -1.55 (180deg=-5.09!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.101 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.4) 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= 0 K(o=0,f=-1) USER MOD Single : A 114 LYS NZ :NH3+ -133:sc= -0.0118 (180deg=-1.12) USER MOD Single : A 115 TYR OH : rot 79:sc= 0.72 USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.09) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -0.153 (180deg=-0.58) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 9:sc= 0.54 USER MOD Single : A 133 SER OG : rot 36:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.347 -27.466 14.404 1.00 0.00 N ATOM 2 CA GLY A 1 4.952 -27.737 14.699 1.00 0.00 C ATOM 3 C GLY A 1 4.112 -26.475 14.734 1.00 0.00 C ATOM 4 O GLY A 1 3.687 -26.034 15.801 1.00 0.00 O ATOM 0 H1 GLY A 1 6.879 -28.360 14.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.422 -27.005 13.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.741 -26.839 15.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.550 -28.417 13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.879 -28.245 15.660 1.00 0.00 H new ATOM 8 N SER A 2 3.873 -25.893 13.563 1.00 0.00 N ATOM 9 CA SER A 2 3.083 -24.671 13.465 1.00 0.00 C ATOM 10 C SER A 2 1.695 -24.966 12.904 1.00 0.00 C ATOM 11 O SER A 2 1.436 -26.059 12.401 1.00 0.00 O ATOM 12 CB SER A 2 3.795 -23.647 12.579 1.00 0.00 C ATOM 13 OG SER A 2 4.948 -23.132 13.223 1.00 0.00 O ATOM 0 H SER A 2 4.215 -26.248 12.670 1.00 0.00 H new ATOM 0 HA SER A 2 2.972 -24.258 14.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.079 -24.112 11.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.113 -22.831 12.340 1.00 0.00 H new ATOM 0 HG SER A 2 5.387 -22.481 12.637 1.00 0.00 H new ATOM 19 N SER A 3 0.805 -23.982 12.995 1.00 0.00 N ATOM 20 CA SER A 3 -0.558 -24.136 12.501 1.00 0.00 C ATOM 21 C SER A 3 -0.650 -23.744 11.030 1.00 0.00 C ATOM 22 O SER A 3 -0.290 -22.631 10.649 1.00 0.00 O ATOM 23 CB SER A 3 -1.522 -23.284 13.329 1.00 0.00 C ATOM 24 OG SER A 3 -2.811 -23.256 12.741 1.00 0.00 O ATOM 0 H SER A 3 1.004 -23.070 13.406 1.00 0.00 H new ATOM 0 HA SER A 3 -0.837 -25.185 12.597 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.589 -23.684 14.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.135 -22.269 13.413 1.00 0.00 H new ATOM 0 HG SER A 3 -3.409 -22.707 13.290 1.00 0.00 H new ATOM 30 N GLY A 4 -1.136 -24.669 10.207 1.00 0.00 N ATOM 31 CA GLY A 4 -1.267 -24.402 8.786 1.00 0.00 C ATOM 32 C GLY A 4 0.047 -24.550 8.045 1.00 0.00 C ATOM 33 O GLY A 4 0.580 -25.653 7.928 1.00 0.00 O ATOM 0 H GLY A 4 -1.441 -25.598 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.001 -25.084 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.649 -23.391 8.643 1.00 0.00 H new ATOM 37 N SER A 5 0.569 -23.436 7.541 1.00 0.00 N ATOM 38 CA SER A 5 1.826 -23.448 6.802 1.00 0.00 C ATOM 39 C SER A 5 2.733 -22.308 7.255 1.00 0.00 C ATOM 40 O SER A 5 2.323 -21.443 8.029 1.00 0.00 O ATOM 41 CB SER A 5 1.560 -23.336 5.300 1.00 0.00 C ATOM 42 OG SER A 5 2.748 -23.541 4.555 1.00 0.00 O ATOM 0 H SER A 5 0.141 -22.514 7.631 1.00 0.00 H new ATOM 0 HA SER A 5 2.329 -24.393 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.810 -24.070 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.150 -22.352 5.073 1.00 0.00 H new ATOM 0 HG SER A 5 2.551 -23.466 3.598 1.00 0.00 H new ATOM 48 N SER A 6 3.970 -22.315 6.768 1.00 0.00 N ATOM 49 CA SER A 6 4.938 -21.284 7.125 1.00 0.00 C ATOM 50 C SER A 6 4.352 -19.892 6.913 1.00 0.00 C ATOM 51 O SER A 6 4.368 -19.055 7.815 1.00 0.00 O ATOM 52 CB SER A 6 6.214 -21.444 6.296 1.00 0.00 C ATOM 53 OG SER A 6 7.167 -20.451 6.631 1.00 0.00 O ATOM 0 H SER A 6 4.325 -23.023 6.125 1.00 0.00 H new ATOM 0 HA SER A 6 5.182 -21.400 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.640 -22.433 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.973 -21.378 5.235 1.00 0.00 H new ATOM 0 HG SER A 6 7.974 -20.576 6.089 1.00 0.00 H new ATOM 59 N GLY A 7 3.834 -19.651 5.712 1.00 0.00 N ATOM 60 CA GLY A 7 3.250 -18.359 5.402 1.00 0.00 C ATOM 61 C GLY A 7 2.169 -17.959 6.387 1.00 0.00 C ATOM 62 O GLY A 7 2.184 -16.850 6.921 1.00 0.00 O ATOM 0 H GLY A 7 3.808 -20.327 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.033 -17.601 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.829 -18.386 4.397 1.00 0.00 H new ATOM 66 N LEU A 8 1.227 -18.864 6.628 1.00 0.00 N ATOM 67 CA LEU A 8 0.131 -18.600 7.554 1.00 0.00 C ATOM 68 C LEU A 8 0.641 -17.916 8.819 1.00 0.00 C ATOM 69 O LEU A 8 0.059 -16.937 9.286 1.00 0.00 O ATOM 70 CB LEU A 8 -0.581 -19.904 7.918 1.00 0.00 C ATOM 71 CG LEU A 8 -1.740 -20.312 7.008 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.761 -19.189 6.909 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.227 -20.691 5.627 1.00 0.00 C ATOM 0 H LEU A 8 1.200 -19.787 6.195 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.576 -17.933 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.155 -20.708 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.959 -19.816 8.937 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.229 -21.184 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.579 -19.497 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.152 -18.965 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.285 -18.299 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.066 -20.978 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.713 -19.839 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.534 -21.528 5.713 1.00 0.00 H new ATOM 85 N LYS A 9 1.733 -18.438 9.368 1.00 0.00 N ATOM 86 CA LYS A 9 2.324 -17.876 10.577 1.00 0.00 C ATOM 87 C LYS A 9 3.015 -16.550 10.279 1.00 0.00 C ATOM 88 O LYS A 9 2.815 -15.562 10.986 1.00 0.00 O ATOM 89 CB LYS A 9 3.326 -18.861 11.184 1.00 0.00 C ATOM 90 CG LYS A 9 3.492 -18.712 12.686 1.00 0.00 C ATOM 91 CD LYS A 9 2.406 -19.457 13.444 1.00 0.00 C ATOM 92 CE LYS A 9 2.767 -19.627 14.912 1.00 0.00 C ATOM 93 NZ LYS A 9 1.678 -20.295 15.677 1.00 0.00 N ATOM 0 H LYS A 9 2.226 -19.249 8.995 1.00 0.00 H new ATOM 0 HA LYS A 9 1.523 -17.694 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.003 -19.878 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.295 -18.722 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.470 -19.090 12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.464 -17.656 12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.465 -18.914 13.360 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.251 -20.436 12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.682 -20.213 14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.973 -18.651 15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.962 -20.392 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.811 -19.723 15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.498 -21.237 15.275 1.00 0.00 H new ATOM 107 N MET A 10 3.828 -16.534 9.228 1.00 0.00 N ATOM 108 CA MET A 10 4.546 -15.327 8.835 1.00 0.00 C ATOM 109 C MET A 10 3.695 -14.085 9.077 1.00 0.00 C ATOM 110 O MET A 10 4.126 -13.146 9.748 1.00 0.00 O ATOM 111 CB MET A 10 4.949 -15.404 7.361 1.00 0.00 C ATOM 112 CG MET A 10 6.204 -16.227 7.116 1.00 0.00 C ATOM 113 SD MET A 10 6.871 -15.998 5.457 1.00 0.00 S ATOM 114 CE MET A 10 8.247 -14.901 5.794 1.00 0.00 C ATOM 0 H MET A 10 4.006 -17.343 8.633 1.00 0.00 H new ATOM 0 HA MET A 10 5.445 -15.254 9.447 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.126 -15.833 6.790 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.107 -14.394 6.983 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.962 -15.953 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 10 5.978 -17.282 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 10 8.400 -14.238 4.943 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.030 -14.308 6.682 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.149 -15.490 5.962 1.00 0.00 H new ATOM 124 N LEU A 11 2.486 -14.086 8.528 1.00 0.00 N ATOM 125 CA LEU A 11 1.574 -12.958 8.684 1.00 0.00 C ATOM 126 C LEU A 11 1.701 -12.343 10.074 1.00 0.00 C ATOM 127 O LEU A 11 1.842 -11.128 10.215 1.00 0.00 O ATOM 128 CB LEU A 11 0.131 -13.406 8.442 1.00 0.00 C ATOM 129 CG LEU A 11 -0.366 -13.319 6.999 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.729 -13.980 6.863 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.428 -11.868 6.543 1.00 0.00 C ATOM 0 H LEU A 11 2.114 -14.855 7.971 1.00 0.00 H new ATOM 0 HA LEU A 11 1.842 -12.202 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.031 -14.438 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.526 -12.802 9.068 1.00 0.00 H new ATOM 0 HG LEU A 11 0.339 -13.851 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.067 -13.908 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.655 -15.029 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.444 -13.477 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.784 -11.825 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.111 -11.313 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.566 -11.425 6.602 1.00 0.00 H new ATOM 143 N ARG A 12 1.653 -13.190 11.097 1.00 0.00 N ATOM 144 CA ARG A 12 1.764 -12.730 12.476 1.00 0.00 C ATOM 145 C ARG A 12 2.942 -11.773 12.636 1.00 0.00 C ATOM 146 O ARG A 12 2.825 -10.732 13.283 1.00 0.00 O ATOM 147 CB ARG A 12 1.928 -13.921 13.421 1.00 0.00 C ATOM 148 CG ARG A 12 0.791 -14.927 13.337 1.00 0.00 C ATOM 149 CD ARG A 12 -0.366 -14.536 14.243 1.00 0.00 C ATOM 150 NE ARG A 12 -1.291 -13.618 13.584 1.00 0.00 N ATOM 151 CZ ARG A 12 -2.329 -13.057 14.194 1.00 0.00 C ATOM 152 NH1 ARG A 12 -2.573 -13.319 15.471 1.00 0.00 N ATOM 153 NH2 ARG A 12 -3.125 -12.231 13.528 1.00 0.00 N ATOM 0 H ARG A 12 1.538 -14.199 10.997 1.00 0.00 H new ATOM 0 HA ARG A 12 0.848 -12.197 12.730 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.867 -14.427 13.195 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.002 -13.554 14.445 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.441 -14.997 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.156 -15.915 13.617 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.904 -15.433 14.552 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.024 -14.070 15.148 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.131 -13.395 12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.963 -13.953 15.987 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.371 -12.887 15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.940 -12.026 12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.922 -11.801 13.998 1.00 0.00 H new ATOM 167 N ASP A 13 4.075 -12.134 12.045 1.00 0.00 N ATOM 168 CA ASP A 13 5.275 -11.308 12.121 1.00 0.00 C ATOM 169 C ASP A 13 5.001 -9.903 11.594 1.00 0.00 C ATOM 170 O ASP A 13 5.402 -8.912 12.203 1.00 0.00 O ATOM 171 CB ASP A 13 6.414 -11.951 11.330 1.00 0.00 C ATOM 172 CG ASP A 13 7.708 -11.168 11.437 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.762 -10.037 10.910 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.667 -11.686 12.047 1.00 0.00 O ATOM 0 H ASP A 13 4.188 -12.993 11.508 1.00 0.00 H new ATOM 0 HA ASP A 13 5.569 -11.233 13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.576 -12.966 11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.126 -12.029 10.282 1.00 0.00 H new ATOM 179 N MET A 14 4.318 -9.826 10.456 1.00 0.00 N ATOM 180 CA MET A 14 3.991 -8.542 9.847 1.00 0.00 C ATOM 181 C MET A 14 3.146 -7.692 10.790 1.00 0.00 C ATOM 182 O MET A 14 3.528 -6.578 11.149 1.00 0.00 O ATOM 183 CB MET A 14 3.247 -8.755 8.527 1.00 0.00 C ATOM 184 CG MET A 14 4.073 -9.473 7.472 1.00 0.00 C ATOM 185 SD MET A 14 3.629 -8.986 5.794 1.00 0.00 S ATOM 186 CE MET A 14 2.858 -10.489 5.198 1.00 0.00 C ATOM 0 H MET A 14 3.981 -10.637 9.938 1.00 0.00 H new ATOM 0 HA MET A 14 4.924 -8.014 9.649 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.340 -9.329 8.719 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.935 -7.787 8.135 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.130 -9.265 7.639 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.939 -10.549 7.581 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.224 -10.713 4.196 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.104 -11.314 5.867 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.777 -10.356 5.168 1.00 0.00 H new ATOM 196 N THR A 15 1.995 -8.224 11.188 1.00 0.00 N ATOM 197 CA THR A 15 1.095 -7.514 12.088 1.00 0.00 C ATOM 198 C THR A 15 1.860 -6.884 13.246 1.00 0.00 C ATOM 199 O THR A 15 1.547 -5.776 13.681 1.00 0.00 O ATOM 200 CB THR A 15 0.011 -8.450 12.653 1.00 0.00 C ATOM 201 OG1 THR A 15 0.613 -9.462 13.468 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.781 -9.102 11.529 1.00 0.00 C ATOM 0 H THR A 15 1.664 -9.145 10.901 1.00 0.00 H new ATOM 0 HA THR A 15 0.617 -6.729 11.502 1.00 0.00 H new ATOM 0 HB THR A 15 -0.671 -7.854 13.259 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.354 -9.877 12.980 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.541 -9.759 11.953 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.262 -8.330 10.928 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.108 -9.685 10.900 1.00 0.00 H new ATOM 210 N GLY A 16 2.867 -7.597 13.742 1.00 0.00 N ATOM 211 CA GLY A 16 3.662 -7.091 14.845 1.00 0.00 C ATOM 212 C GLY A 16 4.265 -5.732 14.550 1.00 0.00 C ATOM 213 O GLY A 16 4.225 -4.831 15.388 1.00 0.00 O ATOM 0 H GLY A 16 3.146 -8.516 13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.039 -7.023 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.461 -7.799 15.068 1.00 0.00 H new ATOM 217 N LEU A 17 4.828 -5.583 13.356 1.00 0.00 N ATOM 218 CA LEU A 17 5.444 -4.324 12.952 1.00 0.00 C ATOM 219 C LEU A 17 4.642 -3.134 13.468 1.00 0.00 C ATOM 220 O LEU A 17 3.423 -3.201 13.633 1.00 0.00 O ATOM 221 CB LEU A 17 5.557 -4.255 11.428 1.00 0.00 C ATOM 222 CG LEU A 17 6.473 -5.291 10.775 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.293 -5.286 9.265 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.926 -5.024 11.141 1.00 0.00 C ATOM 0 H LEU A 17 4.871 -6.319 12.651 1.00 0.00 H new ATOM 0 HA LEU A 17 6.443 -4.281 13.387 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.559 -4.364 11.004 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.913 -3.262 11.155 1.00 0.00 H new ATOM 0 HG LEU A 17 6.200 -6.277 11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.953 -6.029 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.258 -5.526 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.539 -4.299 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.564 -5.771 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.212 -4.031 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.045 -5.079 12.223 1.00 0.00 H new ATOM 236 N PRO A 18 5.338 -2.018 13.727 1.00 0.00 N ATOM 237 CA PRO A 18 4.710 -0.791 14.226 1.00 0.00 C ATOM 238 C PRO A 18 3.836 -0.118 13.173 1.00 0.00 C ATOM 239 O PRO A 18 2.743 0.363 13.474 1.00 0.00 O ATOM 240 CB PRO A 18 5.903 0.100 14.579 1.00 0.00 C ATOM 241 CG PRO A 18 7.011 -0.388 13.710 1.00 0.00 C ATOM 242 CD PRO A 18 6.793 -1.868 13.554 1.00 0.00 C ATOM 0 HA PRO A 18 4.044 -0.987 15.066 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.683 1.150 14.388 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.161 0.016 15.635 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.997 0.113 12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.981 -0.182 14.162 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.120 -2.222 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.347 -2.437 14.300 1.00 0.00 H new ATOM 250 N HIS A 19 4.324 -0.088 11.937 1.00 0.00 N ATOM 251 CA HIS A 19 3.586 0.526 10.838 1.00 0.00 C ATOM 252 C HIS A 19 2.327 -0.273 10.517 1.00 0.00 C ATOM 253 O HIS A 19 1.526 0.125 9.672 1.00 0.00 O ATOM 254 CB HIS A 19 4.471 0.627 9.595 1.00 0.00 C ATOM 255 CG HIS A 19 5.356 -0.563 9.392 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.655 -0.623 9.852 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.123 -1.745 8.774 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.182 -1.789 9.525 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.273 -2.489 8.871 1.00 0.00 N ATOM 0 H HIS A 19 5.227 -0.481 11.671 1.00 0.00 H new ATOM 0 HA HIS A 19 3.290 1.529 11.146 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.837 0.752 8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.090 1.521 9.671 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.134 0.118 10.365 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.204 -2.047 8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.186 -2.115 9.754 1.00 0.00 H new ATOM 267 N ASN A 20 2.158 -1.402 11.197 1.00 0.00 N ATOM 268 CA ASN A 20 0.997 -2.258 10.983 1.00 0.00 C ATOM 269 C ASN A 20 0.113 -2.296 12.225 1.00 0.00 C ATOM 270 O ASN A 20 -1.068 -2.638 12.150 1.00 0.00 O ATOM 271 CB ASN A 20 1.442 -3.675 10.616 1.00 0.00 C ATOM 272 CG ASN A 20 1.616 -3.858 9.121 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.761 -3.456 8.331 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.728 -4.467 8.725 1.00 0.00 N ATOM 0 H ASN A 20 2.811 -1.746 11.901 1.00 0.00 H new ATOM 0 HA ASN A 20 0.417 -1.842 10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.383 -3.899 11.118 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.706 -4.390 10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.901 -4.618 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.409 -4.784 9.415 1.00 0.00 H new ATOM 281 N ARG A 21 0.691 -1.941 13.368 1.00 0.00 N ATOM 282 CA ARG A 21 -0.044 -1.935 14.627 1.00 0.00 C ATOM 283 C ARG A 21 -1.431 -1.326 14.444 1.00 0.00 C ATOM 284 O ARG A 21 -2.347 -1.597 15.221 1.00 0.00 O ATOM 285 CB ARG A 21 0.731 -1.155 15.691 1.00 0.00 C ATOM 286 CG ARG A 21 1.938 -1.902 16.235 1.00 0.00 C ATOM 287 CD ARG A 21 1.520 -3.081 17.099 1.00 0.00 C ATOM 288 NE ARG A 21 0.661 -2.671 18.207 1.00 0.00 N ATOM 289 CZ ARG A 21 1.118 -2.118 19.325 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.417 -1.910 19.483 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.273 -1.772 20.288 1.00 0.00 N ATOM 0 H ARG A 21 1.666 -1.654 13.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.160 -2.968 14.956 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.062 -0.208 15.266 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.060 -0.917 16.516 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.552 -2.256 15.407 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.555 -1.221 16.821 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.995 -3.812 16.485 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.408 -3.575 17.493 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.344 -2.817 18.117 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.069 -2.175 18.745 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.765 -1.485 20.343 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.728 -1.931 20.170 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.624 -1.347 21.146 1.00 0.00 H new ATOM 305 N LYS A 22 -1.578 -0.502 13.412 1.00 0.00 N ATOM 306 CA LYS A 22 -2.852 0.145 13.125 1.00 0.00 C ATOM 307 C LYS A 22 -3.143 0.136 11.628 1.00 0.00 C ATOM 308 O LYS A 22 -2.226 0.070 10.808 1.00 0.00 O ATOM 309 CB LYS A 22 -2.845 1.585 13.645 1.00 0.00 C ATOM 310 CG LYS A 22 -1.488 2.260 13.546 1.00 0.00 C ATOM 311 CD LYS A 22 -1.241 2.814 12.153 1.00 0.00 C ATOM 312 CE LYS A 22 0.232 3.118 11.927 1.00 0.00 C ATOM 313 NZ LYS A 22 0.654 4.365 12.624 1.00 0.00 N ATOM 0 H LYS A 22 -0.830 -0.267 12.760 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.637 -0.415 13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.574 2.169 13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.168 1.588 14.686 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.428 3.068 14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.705 1.544 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.584 2.095 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.827 3.722 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.834 2.282 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.423 3.217 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.664 4.538 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.097 5.168 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.496 4.262 13.647 1.00 0.00 H new ATOM 327 N CYS A 23 -4.423 0.203 11.277 1.00 0.00 N ATOM 328 CA CYS A 23 -4.834 0.204 9.879 1.00 0.00 C ATOM 329 C CYS A 23 -4.041 1.233 9.079 1.00 0.00 C ATOM 330 O CYS A 23 -3.184 1.931 9.621 1.00 0.00 O ATOM 331 CB CYS A 23 -6.331 0.497 9.766 1.00 0.00 C ATOM 332 SG CYS A 23 -7.134 -0.277 8.325 1.00 0.00 S ATOM 0 H CYS A 23 -5.194 0.257 11.943 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.632 -0.784 9.466 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.827 0.153 10.673 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.476 1.576 9.713 1.00 0.00 H new ATOM 337 N PHE A 24 -4.333 1.322 7.785 1.00 0.00 N ATOM 338 CA PHE A 24 -3.648 2.265 6.910 1.00 0.00 C ATOM 339 C PHE A 24 -4.464 3.544 6.742 1.00 0.00 C ATOM 340 O PHE A 24 -3.911 4.641 6.664 1.00 0.00 O ATOM 341 CB PHE A 24 -3.389 1.629 5.542 1.00 0.00 C ATOM 342 CG PHE A 24 -2.531 2.472 4.642 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.033 3.630 4.070 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.224 2.105 4.367 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.246 4.408 3.242 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.432 2.879 3.540 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.945 4.031 2.975 1.00 0.00 C ATOM 0 H PHE A 24 -5.040 0.752 7.320 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.694 2.522 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.910 0.661 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.344 1.442 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.051 3.928 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.819 1.204 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.648 5.310 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.587 2.584 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.329 4.635 2.326 1.00 0.00 H new ATOM 357 N ASP A 25 -5.783 3.393 6.688 1.00 0.00 N ATOM 358 CA ASP A 25 -6.677 4.535 6.530 1.00 0.00 C ATOM 359 C ASP A 25 -7.240 4.975 7.878 1.00 0.00 C ATOM 360 O ASP A 25 -6.890 6.038 8.391 1.00 0.00 O ATOM 361 CB ASP A 25 -7.820 4.187 5.575 1.00 0.00 C ATOM 362 CG ASP A 25 -7.398 3.203 4.501 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.400 3.479 3.802 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.064 2.157 4.361 1.00 0.00 O ATOM 0 H ASP A 25 -6.257 2.492 6.751 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.102 5.360 6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.649 3.766 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.187 5.099 5.104 1.00 0.00 H new ATOM 369 N CYS A 26 -8.113 4.150 8.446 1.00 0.00 N ATOM 370 CA CYS A 26 -8.726 4.454 9.733 1.00 0.00 C ATOM 371 C CYS A 26 -7.720 4.287 10.868 1.00 0.00 C ATOM 372 O CYS A 26 -8.041 4.512 12.035 1.00 0.00 O ATOM 373 CB CYS A 26 -9.936 3.547 9.972 1.00 0.00 C ATOM 374 SG CYS A 26 -9.512 1.794 10.229 1.00 0.00 S ATOM 0 H CYS A 26 -8.412 3.266 8.035 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.056 5.493 9.714 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.482 3.909 10.843 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.610 3.625 9.119 1.00 0.00 H new ATOM 379 N ASP A 27 -6.501 3.891 10.517 1.00 0.00 N ATOM 380 CA ASP A 27 -5.447 3.695 11.505 1.00 0.00 C ATOM 381 C ASP A 27 -5.965 2.906 12.703 1.00 0.00 C ATOM 382 O ASP A 27 -5.486 3.077 13.824 1.00 0.00 O ATOM 383 CB ASP A 27 -4.894 5.044 11.967 1.00 0.00 C ATOM 384 CG ASP A 27 -3.798 5.563 11.056 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.890 5.342 9.831 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.849 6.191 11.570 1.00 0.00 O ATOM 0 H ASP A 27 -6.219 3.700 9.556 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.645 3.124 11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.705 5.772 12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.504 4.946 12.980 1.00 0.00 H new ATOM 391 N GLN A 28 -6.946 2.044 12.458 1.00 0.00 N ATOM 392 CA GLN A 28 -7.530 1.231 13.519 1.00 0.00 C ATOM 393 C GLN A 28 -6.502 0.259 14.088 1.00 0.00 C ATOM 394 O GLN A 28 -5.970 -0.588 13.370 1.00 0.00 O ATOM 395 CB GLN A 28 -8.741 0.460 12.990 1.00 0.00 C ATOM 396 CG GLN A 28 -9.297 -0.552 13.979 1.00 0.00 C ATOM 397 CD GLN A 28 -10.118 -1.635 13.308 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.923 -1.937 12.130 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.043 -2.226 14.054 1.00 0.00 N ATOM 0 H GLN A 28 -7.353 1.890 11.535 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.853 1.898 14.318 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.526 1.169 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.460 -0.057 12.073 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.473 -1.012 14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.915 -0.035 14.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.171 -1.944 15.026 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.626 -2.962 13.655 1.00 0.00 H new ATOM 408 N ARG A 29 -6.228 0.386 15.382 1.00 0.00 N ATOM 409 CA ARG A 29 -5.262 -0.480 16.047 1.00 0.00 C ATOM 410 C ARG A 29 -5.741 -1.929 16.047 1.00 0.00 C ATOM 411 O ARG A 29 -6.391 -2.378 16.990 1.00 0.00 O ATOM 412 CB ARG A 29 -5.027 -0.009 17.483 1.00 0.00 C ATOM 413 CG ARG A 29 -3.825 -0.659 18.148 1.00 0.00 C ATOM 414 CD ARG A 29 -4.072 -2.134 18.427 1.00 0.00 C ATOM 415 NE ARG A 29 -3.138 -2.668 19.415 1.00 0.00 N ATOM 416 CZ ARG A 29 -2.980 -3.965 19.650 1.00 0.00 C ATOM 417 NH1 ARG A 29 -3.689 -4.857 18.972 1.00 0.00 N ATOM 418 NH2 ARG A 29 -2.110 -4.374 20.566 1.00 0.00 N ATOM 0 H ARG A 29 -6.661 1.080 15.991 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.323 -0.426 15.496 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.891 1.073 17.484 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.917 -0.219 18.076 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.950 -0.550 17.507 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.602 -0.143 19.082 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.093 -2.270 18.783 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.980 -2.699 17.499 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.577 -2.008 19.954 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.358 -4.547 18.267 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.565 -5.853 19.155 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.562 -3.691 21.090 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.989 -5.371 20.746 1.00 0.00 H new ATOM 432 N GLY A 30 -5.415 -2.655 14.982 1.00 0.00 N ATOM 433 CA GLY A 30 -5.821 -4.045 14.879 1.00 0.00 C ATOM 434 C GLY A 30 -6.344 -4.395 13.500 1.00 0.00 C ATOM 435 O GLY A 30 -7.539 -4.614 13.304 1.00 0.00 O ATOM 0 H GLY A 30 -4.877 -2.306 14.189 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.972 -4.687 15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.593 -4.251 15.620 1.00 0.00 H new ATOM 439 N PRO A 31 -5.435 -4.451 12.515 1.00 0.00 N ATOM 440 CA PRO A 31 -5.789 -4.776 11.130 1.00 0.00 C ATOM 441 C PRO A 31 -6.202 -6.234 10.964 1.00 0.00 C ATOM 442 O PRO A 31 -5.641 -7.126 11.601 1.00 0.00 O ATOM 443 CB PRO A 31 -4.497 -4.495 10.359 1.00 0.00 C ATOM 444 CG PRO A 31 -3.412 -4.655 11.367 1.00 0.00 C ATOM 445 CD PRO A 31 -3.993 -4.201 12.677 1.00 0.00 C ATOM 0 HA PRO A 31 -6.644 -4.197 10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.372 -5.190 9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.499 -3.491 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.083 -5.693 11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.540 -4.059 11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.580 -4.761 13.516 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.786 -3.147 12.865 1.00 0.00 H new ATOM 453 N THR A 32 -7.188 -6.471 10.104 1.00 0.00 N ATOM 454 CA THR A 32 -7.677 -7.821 9.855 1.00 0.00 C ATOM 455 C THR A 32 -7.822 -8.086 8.360 1.00 0.00 C ATOM 456 O THR A 32 -8.507 -9.024 7.950 1.00 0.00 O ATOM 457 CB THR A 32 -9.034 -8.063 10.542 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.577 -9.321 10.126 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.014 -6.948 10.211 1.00 0.00 C ATOM 0 H THR A 32 -7.663 -5.745 9.568 1.00 0.00 H new ATOM 0 HA THR A 32 -6.940 -8.506 10.273 1.00 0.00 H new ATOM 0 HB THR A 32 -8.873 -8.076 11.620 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.793 -9.284 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.965 -7.140 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.611 -5.995 10.555 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.169 -6.908 9.133 1.00 0.00 H new ATOM 467 N TYR A 33 -7.175 -7.255 7.551 1.00 0.00 N ATOM 468 CA TYR A 33 -7.233 -7.399 6.102 1.00 0.00 C ATOM 469 C TYR A 33 -5.958 -6.873 5.450 1.00 0.00 C ATOM 470 O TYR A 33 -5.121 -6.255 6.106 1.00 0.00 O ATOM 471 CB TYR A 33 -8.449 -6.657 5.543 1.00 0.00 C ATOM 472 CG TYR A 33 -9.726 -7.465 5.591 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.436 -7.609 6.777 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.223 -8.084 4.451 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.603 -8.346 6.825 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.390 -8.822 4.490 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.076 -8.951 5.679 1.00 0.00 C ATOM 478 OH TYR A 33 -13.238 -9.687 5.722 1.00 0.00 O ATOM 0 H TYR A 33 -6.604 -6.474 7.875 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.325 -8.460 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.591 -5.734 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.247 -6.373 4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.069 -7.137 7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.688 -7.987 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.143 -8.448 7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.763 -9.295 3.594 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.022 -10.630 5.882 1.00 0.00 H new ATOM 488 N VAL A 34 -5.819 -7.123 4.151 1.00 0.00 N ATOM 489 CA VAL A 34 -4.648 -6.674 3.408 1.00 0.00 C ATOM 490 C VAL A 34 -5.034 -6.184 2.017 1.00 0.00 C ATOM 491 O VAL A 34 -5.825 -6.820 1.322 1.00 0.00 O ATOM 492 CB VAL A 34 -3.604 -7.799 3.272 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.946 -8.081 4.614 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.247 -9.057 2.709 1.00 0.00 C ATOM 0 H VAL A 34 -6.503 -7.634 3.592 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.212 -5.850 3.973 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.831 -7.472 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.212 -8.878 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.449 -7.179 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.705 -8.388 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.495 -9.841 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.041 -9.390 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.666 -8.843 1.726 1.00 0.00 H new ATOM 504 N ASN A 35 -4.471 -5.049 1.618 1.00 0.00 N ATOM 505 CA ASN A 35 -4.756 -4.472 0.309 1.00 0.00 C ATOM 506 C ASN A 35 -3.742 -4.947 -0.727 1.00 0.00 C ATOM 507 O ASN A 35 -2.992 -4.148 -1.287 1.00 0.00 O ATOM 508 CB ASN A 35 -4.745 -2.944 0.388 1.00 0.00 C ATOM 509 CG ASN A 35 -5.578 -2.303 -0.704 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.052 -2.979 -1.618 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.762 -0.990 -0.615 1.00 0.00 N ATOM 0 H ASN A 35 -3.814 -4.510 2.182 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.747 -4.805 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.123 -2.630 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.718 -2.586 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.314 -0.503 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.351 -0.469 0.159 1.00 0.00 H new ATOM 518 N MET A 36 -3.728 -6.252 -0.978 1.00 0.00 N ATOM 519 CA MET A 36 -2.807 -6.832 -1.949 1.00 0.00 C ATOM 520 C MET A 36 -2.566 -5.873 -3.110 1.00 0.00 C ATOM 521 O MET A 36 -1.477 -5.839 -3.686 1.00 0.00 O ATOM 522 CB MET A 36 -3.357 -8.160 -2.475 1.00 0.00 C ATOM 523 CG MET A 36 -2.974 -9.357 -1.621 1.00 0.00 C ATOM 524 SD MET A 36 -1.375 -10.053 -2.080 1.00 0.00 S ATOM 525 CE MET A 36 -0.739 -10.529 -0.474 1.00 0.00 C ATOM 0 H MET A 36 -4.343 -6.927 -0.523 1.00 0.00 H new ATOM 0 HA MET A 36 -1.856 -7.013 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.444 -8.097 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.994 -8.318 -3.491 1.00 0.00 H new ATOM 0 HG2 MET A 36 -2.949 -9.058 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.741 -10.126 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.342 -10.656 -0.534 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.973 -9.753 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.198 -11.468 -0.165 1.00 0.00 H new ATOM 535 N THR A 37 -3.587 -5.094 -3.451 1.00 0.00 N ATOM 536 CA THR A 37 -3.486 -4.136 -4.545 1.00 0.00 C ATOM 537 C THR A 37 -2.329 -3.168 -4.322 1.00 0.00 C ATOM 538 O THR A 37 -1.484 -2.984 -5.198 1.00 0.00 O ATOM 539 CB THR A 37 -4.789 -3.331 -4.709 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.836 -4.185 -5.185 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.593 -2.174 -5.677 1.00 0.00 C ATOM 0 H THR A 37 -4.494 -5.108 -2.985 1.00 0.00 H new ATOM 0 HA THR A 37 -3.306 -4.711 -5.453 1.00 0.00 H new ATOM 0 HB THR A 37 -5.064 -2.926 -3.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.274 -3.767 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.527 -1.621 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.816 -1.510 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.295 -2.561 -6.651 1.00 0.00 H new ATOM 549 N VAL A 38 -2.297 -2.552 -3.145 1.00 0.00 N ATOM 550 CA VAL A 38 -1.243 -1.604 -2.806 1.00 0.00 C ATOM 551 C VAL A 38 -0.098 -2.294 -2.074 1.00 0.00 C ATOM 552 O VAL A 38 1.073 -2.008 -2.321 1.00 0.00 O ATOM 553 CB VAL A 38 -1.780 -0.456 -1.931 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.687 0.568 -1.663 1.00 0.00 C ATOM 555 CG2 VAL A 38 -2.984 0.199 -2.591 1.00 0.00 C ATOM 0 H VAL A 38 -2.990 -2.693 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.874 -1.192 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.099 -0.871 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.085 1.371 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.143 0.087 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.334 0.980 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.350 1.008 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.693 0.600 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.772 -0.541 -2.726 1.00 0.00 H new ATOM 565 N GLY A 39 -0.444 -3.206 -1.171 1.00 0.00 N ATOM 566 CA GLY A 39 0.566 -3.924 -0.416 1.00 0.00 C ATOM 567 C GLY A 39 0.612 -3.501 1.039 1.00 0.00 C ATOM 568 O GLY A 39 1.637 -3.651 1.704 1.00 0.00 O ATOM 0 H GLY A 39 -1.406 -3.461 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.366 -4.994 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.542 -3.757 -0.871 1.00 0.00 H new ATOM 572 N SER A 40 -0.501 -2.969 1.535 1.00 0.00 N ATOM 573 CA SER A 40 -0.581 -2.518 2.919 1.00 0.00 C ATOM 574 C SER A 40 -1.553 -3.383 3.717 1.00 0.00 C ATOM 575 O SER A 40 -2.135 -4.331 3.189 1.00 0.00 O ATOM 576 CB SER A 40 -1.020 -1.053 2.975 1.00 0.00 C ATOM 577 OG SER A 40 -2.432 -0.942 2.925 1.00 0.00 O ATOM 0 H SER A 40 -1.359 -2.840 0.999 1.00 0.00 H new ATOM 0 HA SER A 40 0.410 -2.611 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.648 -0.593 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.579 -0.506 2.142 1.00 0.00 H new ATOM 0 HG SER A 40 -2.687 0.003 2.964 1.00 0.00 H new ATOM 583 N PHE A 41 -1.723 -3.049 4.992 1.00 0.00 N ATOM 584 CA PHE A 41 -2.622 -3.794 5.864 1.00 0.00 C ATOM 585 C PHE A 41 -3.863 -2.971 6.198 1.00 0.00 C ATOM 586 O PHE A 41 -3.767 -1.893 6.785 1.00 0.00 O ATOM 587 CB PHE A 41 -1.901 -4.196 7.152 1.00 0.00 C ATOM 588 CG PHE A 41 -1.039 -5.417 7.001 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.062 -5.474 6.020 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.206 -6.507 7.840 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.733 -6.596 5.879 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.414 -7.631 7.703 1.00 0.00 C ATOM 593 CZ PHE A 41 0.556 -7.676 6.721 1.00 0.00 C ATOM 0 H PHE A 41 -1.249 -2.267 5.444 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.936 -4.694 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.282 -3.364 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.641 -4.378 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.080 -4.632 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.963 -6.478 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.492 -6.628 5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.553 -8.474 8.364 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.175 -8.554 6.612 1.00 0.00 H new ATOM 603 N VAL A 42 -5.028 -3.486 5.818 1.00 0.00 N ATOM 604 CA VAL A 42 -6.288 -2.800 6.077 1.00 0.00 C ATOM 605 C VAL A 42 -7.195 -3.636 6.972 1.00 0.00 C ATOM 606 O VAL A 42 -6.869 -4.772 7.317 1.00 0.00 O ATOM 607 CB VAL A 42 -7.031 -2.479 4.766 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.252 -1.464 3.944 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.275 -3.751 3.968 1.00 0.00 C ATOM 0 H VAL A 42 -5.125 -4.376 5.330 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.043 -1.867 6.585 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.998 -2.042 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.793 -1.250 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.135 -0.544 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.269 -1.869 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.801 -3.506 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.320 -4.219 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.879 -4.440 4.558 1.00 0.00 H new ATOM 619 N CYS A 43 -8.337 -3.067 7.344 1.00 0.00 N ATOM 620 CA CYS A 43 -9.294 -3.760 8.199 1.00 0.00 C ATOM 621 C CYS A 43 -10.576 -4.077 7.435 1.00 0.00 C ATOM 622 O CYS A 43 -10.698 -3.769 6.249 1.00 0.00 O ATOM 623 CB CYS A 43 -9.617 -2.910 9.430 1.00 0.00 C ATOM 624 SG CYS A 43 -10.681 -1.473 9.082 1.00 0.00 S ATOM 0 H CYS A 43 -8.622 -2.128 7.067 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.843 -4.699 8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.106 -3.539 10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.684 -2.560 9.871 1.00 0.00 H new ATOM 629 N THR A 44 -11.530 -4.696 8.123 1.00 0.00 N ATOM 630 CA THR A 44 -12.802 -5.057 7.511 1.00 0.00 C ATOM 631 C THR A 44 -13.539 -3.822 7.006 1.00 0.00 C ATOM 632 O THR A 44 -14.090 -3.823 5.905 1.00 0.00 O ATOM 633 CB THR A 44 -13.709 -5.812 8.501 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.917 -6.659 9.341 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.742 -6.648 7.760 1.00 0.00 C ATOM 0 H THR A 44 -11.445 -4.958 9.105 1.00 0.00 H new ATOM 0 HA THR A 44 -12.573 -5.710 6.669 1.00 0.00 H new ATOM 0 HB THR A 44 -14.232 -5.078 9.114 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.500 -7.135 9.969 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.371 -7.172 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.362 -5.997 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.235 -7.375 7.125 1.00 0.00 H new ATOM 643 N SER A 45 -13.545 -2.769 7.817 1.00 0.00 N ATOM 644 CA SER A 45 -14.217 -1.527 7.453 1.00 0.00 C ATOM 645 C SER A 45 -13.662 -0.972 6.145 1.00 0.00 C ATOM 646 O SER A 45 -14.357 -0.928 5.130 1.00 0.00 O ATOM 647 CB SER A 45 -14.060 -0.492 8.568 1.00 0.00 C ATOM 648 OG SER A 45 -14.695 -0.923 9.759 1.00 0.00 O ATOM 0 H SER A 45 -13.092 -2.751 8.731 1.00 0.00 H new ATOM 0 HA SER A 45 -15.276 -1.743 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.001 -0.318 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.487 0.459 8.248 1.00 0.00 H new ATOM 0 HG SER A 45 -14.578 -0.244 10.456 1.00 0.00 H new ATOM 654 N CYS A 46 -12.403 -0.548 6.177 1.00 0.00 N ATOM 655 CA CYS A 46 -11.751 0.006 4.996 1.00 0.00 C ATOM 656 C CYS A 46 -11.937 -0.913 3.792 1.00 0.00 C ATOM 657 O CYS A 46 -12.409 -0.485 2.739 1.00 0.00 O ATOM 658 CB CYS A 46 -10.260 0.220 5.264 1.00 0.00 C ATOM 659 SG CYS A 46 -9.908 1.380 6.624 1.00 0.00 S ATOM 0 H CYS A 46 -11.813 -0.578 7.009 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.214 0.967 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.801 -0.742 5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.788 0.590 4.354 1.00 0.00 H new ATOM 664 N SER A 47 -11.561 -2.177 3.956 1.00 0.00 N ATOM 665 CA SER A 47 -11.682 -3.156 2.882 1.00 0.00 C ATOM 666 C SER A 47 -12.924 -2.886 2.038 1.00 0.00 C ATOM 667 O SER A 47 -12.937 -3.137 0.834 1.00 0.00 O ATOM 668 CB SER A 47 -11.740 -4.572 3.458 1.00 0.00 C ATOM 669 OG SER A 47 -13.034 -4.868 3.954 1.00 0.00 O ATOM 0 H SER A 47 -11.170 -2.547 4.822 1.00 0.00 H new ATOM 0 HA SER A 47 -10.804 -3.068 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.469 -5.293 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.008 -4.672 4.260 1.00 0.00 H new ATOM 0 HG SER A 47 -13.314 -4.166 4.578 1.00 0.00 H new ATOM 675 N GLY A 48 -13.969 -2.372 2.682 1.00 0.00 N ATOM 676 CA GLY A 48 -15.202 -2.077 1.976 1.00 0.00 C ATOM 677 C GLY A 48 -15.110 -0.807 1.154 1.00 0.00 C ATOM 678 O GLY A 48 -15.563 -0.765 0.011 1.00 0.00 O ATOM 0 H GLY A 48 -13.983 -2.155 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.451 -2.912 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.015 -1.982 2.696 1.00 0.00 H new ATOM 682 N SER A 49 -14.523 0.233 1.738 1.00 0.00 N ATOM 683 CA SER A 49 -14.377 1.512 1.054 1.00 0.00 C ATOM 684 C SER A 49 -13.564 1.354 -0.228 1.00 0.00 C ATOM 685 O SER A 49 -14.042 1.659 -1.321 1.00 0.00 O ATOM 686 CB SER A 49 -13.706 2.534 1.974 1.00 0.00 C ATOM 687 OG SER A 49 -13.785 3.840 1.430 1.00 0.00 O ATOM 0 H SER A 49 -14.141 0.215 2.684 1.00 0.00 H new ATOM 0 HA SER A 49 -15.372 1.870 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.184 2.515 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.661 2.262 2.124 1.00 0.00 H new ATOM 0 HG SER A 49 -12.933 4.068 1.003 1.00 0.00 H new ATOM 693 N LEU A 50 -12.334 0.874 -0.084 1.00 0.00 N ATOM 694 CA LEU A 50 -11.453 0.675 -1.229 1.00 0.00 C ATOM 695 C LEU A 50 -12.185 -0.036 -2.363 1.00 0.00 C ATOM 696 O LEU A 50 -12.091 0.365 -3.523 1.00 0.00 O ATOM 697 CB LEU A 50 -10.222 -0.135 -0.816 1.00 0.00 C ATOM 698 CG LEU A 50 -9.226 0.579 0.099 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.361 -0.431 0.837 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.361 1.540 -0.702 1.00 0.00 C ATOM 0 H LEU A 50 -11.924 0.616 0.814 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.134 1.655 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.560 -1.042 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.697 -0.446 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.786 1.154 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.658 0.095 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.995 -1.080 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.809 -1.033 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.658 2.039 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.809 0.986 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.995 2.284 -1.184 1.00 0.00 H new ATOM 712 N ARG A 51 -12.916 -1.091 -2.019 1.00 0.00 N ATOM 713 CA ARG A 51 -13.665 -1.857 -3.007 1.00 0.00 C ATOM 714 C ARG A 51 -14.613 -0.953 -3.791 1.00 0.00 C ATOM 715 O ARG A 51 -14.894 -1.199 -4.963 1.00 0.00 O ATOM 716 CB ARG A 51 -14.457 -2.974 -2.325 1.00 0.00 C ATOM 717 CG ARG A 51 -13.597 -4.143 -1.875 1.00 0.00 C ATOM 718 CD ARG A 51 -14.398 -5.141 -1.054 1.00 0.00 C ATOM 719 NE ARG A 51 -15.387 -5.848 -1.864 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.255 -6.721 -1.368 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.258 -6.994 -0.070 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.124 -7.324 -2.169 1.00 0.00 N ATOM 0 H ARG A 51 -13.005 -1.435 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.952 -2.299 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.978 -2.563 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.220 -3.339 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.176 -4.643 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.759 -3.773 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.720 -5.863 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.902 -4.619 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.412 -5.660 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.592 -6.533 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.926 -7.665 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.126 -7.117 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.790 -7.995 -1.786 1.00 0.00 H new ATOM 736 N GLY A 52 -15.101 0.095 -3.134 1.00 0.00 N ATOM 737 CA GLY A 52 -16.012 1.019 -3.784 1.00 0.00 C ATOM 738 C GLY A 52 -15.328 1.855 -4.848 1.00 0.00 C ATOM 739 O GLY A 52 -15.961 2.282 -5.814 1.00 0.00 O ATOM 0 H GLY A 52 -14.882 0.320 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.831 0.459 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.452 1.678 -3.035 1.00 0.00 H new ATOM 743 N LEU A 53 -14.033 2.090 -4.671 1.00 0.00 N ATOM 744 CA LEU A 53 -13.262 2.882 -5.623 1.00 0.00 C ATOM 745 C LEU A 53 -13.273 2.236 -7.004 1.00 0.00 C ATOM 746 O LEU A 53 -13.698 1.092 -7.162 1.00 0.00 O ATOM 747 CB LEU A 53 -11.821 3.043 -5.134 1.00 0.00 C ATOM 748 CG LEU A 53 -11.650 3.624 -3.730 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.203 3.509 -3.278 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.109 5.074 -3.693 1.00 0.00 C ATOM 0 H LEU A 53 -13.494 1.744 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.726 3.866 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.337 2.067 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.289 3.683 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.271 3.050 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.100 3.927 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.908 2.460 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.562 4.057 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.980 5.471 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.515 5.662 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.161 5.130 -3.973 1.00 0.00 H new ATOM 762 N ASN A 54 -12.801 2.976 -8.002 1.00 0.00 N ATOM 763 CA ASN A 54 -12.755 2.474 -9.371 1.00 0.00 C ATOM 764 C ASN A 54 -11.436 2.846 -10.042 1.00 0.00 C ATOM 765 O ASN A 54 -11.083 4.019 -10.166 1.00 0.00 O ATOM 766 CB ASN A 54 -13.928 3.031 -10.180 1.00 0.00 C ATOM 767 CG ASN A 54 -14.096 2.328 -11.513 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.445 1.149 -11.566 1.00 0.00 O ATOM 769 ND2 ASN A 54 -13.848 3.052 -12.599 1.00 0.00 N ATOM 0 H ASN A 54 -12.445 3.925 -7.889 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.831 1.387 -9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.846 2.930 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.775 4.097 -10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.945 2.633 -13.524 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.561 4.027 -12.508 1.00 0.00 H new ATOM 776 N PRO A 55 -10.690 1.824 -10.488 1.00 0.00 N ATOM 777 CA PRO A 55 -11.100 0.424 -10.346 1.00 0.00 C ATOM 778 C PRO A 55 -11.057 -0.048 -8.896 1.00 0.00 C ATOM 779 O PRO A 55 -10.309 0.474 -8.070 1.00 0.00 O ATOM 780 CB PRO A 55 -10.070 -0.334 -11.186 1.00 0.00 C ATOM 781 CG PRO A 55 -8.868 0.547 -11.198 1.00 0.00 C ATOM 782 CD PRO A 55 -9.389 1.957 -11.164 1.00 0.00 C ATOM 0 HA PRO A 55 -12.130 0.266 -10.666 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.843 -1.307 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.438 -0.515 -12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.228 0.346 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.266 0.374 -12.090 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.718 2.620 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.498 2.369 -12.167 1.00 0.00 H new ATOM 790 N PRO A 56 -11.878 -1.061 -8.579 1.00 0.00 N ATOM 791 CA PRO A 56 -11.951 -1.626 -7.228 1.00 0.00 C ATOM 792 C PRO A 56 -10.691 -2.400 -6.855 1.00 0.00 C ATOM 793 O PRO A 56 -10.249 -3.281 -7.594 1.00 0.00 O ATOM 794 CB PRO A 56 -13.155 -2.569 -7.303 1.00 0.00 C ATOM 795 CG PRO A 56 -13.258 -2.938 -8.742 1.00 0.00 C ATOM 796 CD PRO A 56 -12.797 -1.732 -9.513 1.00 0.00 C ATOM 0 HA PRO A 56 -12.045 -0.852 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.007 -3.450 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.064 -2.079 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.638 -3.806 -8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.283 -3.201 -9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.294 -2.014 -10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.632 -1.087 -9.788 1.00 0.00 H new ATOM 804 N HIS A 57 -10.116 -2.067 -5.703 1.00 0.00 N ATOM 805 CA HIS A 57 -8.907 -2.732 -5.232 1.00 0.00 C ATOM 806 C HIS A 57 -9.208 -4.165 -4.800 1.00 0.00 C ATOM 807 O HIS A 57 -10.334 -4.641 -4.940 1.00 0.00 O ATOM 808 CB HIS A 57 -8.293 -1.955 -4.067 1.00 0.00 C ATOM 809 CG HIS A 57 -7.834 -0.579 -4.441 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.777 0.055 -3.824 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.294 0.284 -5.377 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.608 1.250 -4.362 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.515 1.412 -5.308 1.00 0.00 N ATOM 0 H HIS A 57 -10.468 -1.341 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.194 -2.761 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.027 -1.879 -3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.446 -2.517 -3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.120 0.116 -6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.856 1.971 -4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.620 2.241 -5.893 1.00 0.00 H new ATOM 821 N ARG A 58 -8.194 -4.845 -4.276 1.00 0.00 N ATOM 822 CA ARG A 58 -8.350 -6.223 -3.827 1.00 0.00 C ATOM 823 C ARG A 58 -7.964 -6.362 -2.357 1.00 0.00 C ATOM 824 O ARG A 58 -6.805 -6.174 -1.988 1.00 0.00 O ATOM 825 CB ARG A 58 -7.494 -7.161 -4.680 1.00 0.00 C ATOM 826 CG ARG A 58 -7.724 -8.634 -4.385 1.00 0.00 C ATOM 827 CD ARG A 58 -7.191 -9.516 -5.502 1.00 0.00 C ATOM 828 NE ARG A 58 -7.256 -10.934 -5.158 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.945 -11.910 -6.004 1.00 0.00 C ATOM 830 NH1 ARG A 58 -6.550 -11.623 -7.237 1.00 0.00 N ATOM 831 NH2 ARG A 58 -7.028 -13.177 -5.617 1.00 0.00 N ATOM 0 H ARG A 58 -7.256 -4.464 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.399 -6.498 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.704 -6.973 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.442 -6.927 -4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.236 -8.899 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.790 -8.817 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.765 -9.337 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.158 -9.242 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.556 -11.189 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.484 -10.651 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.312 -12.375 -7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.331 -13.402 -4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.789 -13.926 -6.267 1.00 0.00 H new ATOM 845 N VAL A 59 -8.944 -6.693 -1.522 1.00 0.00 N ATOM 846 CA VAL A 59 -8.708 -6.858 -0.093 1.00 0.00 C ATOM 847 C VAL A 59 -9.012 -8.283 0.354 1.00 0.00 C ATOM 848 O VAL A 59 -9.833 -8.973 -0.251 1.00 0.00 O ATOM 849 CB VAL A 59 -9.562 -5.879 0.734 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.912 -4.505 0.774 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.972 -5.795 0.169 1.00 0.00 C ATOM 0 H VAL A 59 -9.909 -6.852 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.653 -6.644 0.080 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.626 -6.253 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.530 -3.827 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.924 -4.583 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.815 -4.119 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.562 -5.099 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.930 -5.445 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.435 -6.781 0.199 1.00 0.00 H new ATOM 861 N LYS A 60 -8.345 -8.720 1.417 1.00 0.00 N ATOM 862 CA LYS A 60 -8.545 -10.063 1.948 1.00 0.00 C ATOM 863 C LYS A 60 -8.147 -10.132 3.419 1.00 0.00 C ATOM 864 O LYS A 60 -7.213 -9.456 3.851 1.00 0.00 O ATOM 865 CB LYS A 60 -7.732 -11.078 1.141 1.00 0.00 C ATOM 866 CG LYS A 60 -6.237 -10.812 1.157 1.00 0.00 C ATOM 867 CD LYS A 60 -5.468 -11.904 0.433 1.00 0.00 C ATOM 868 CE LYS A 60 -6.201 -12.368 -0.816 1.00 0.00 C ATOM 869 NZ LYS A 60 -6.355 -11.269 -1.809 1.00 0.00 N ATOM 0 H LYS A 60 -7.660 -8.163 1.928 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.604 -10.306 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.919 -12.077 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.082 -11.073 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.033 -9.850 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.890 -10.744 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.480 -11.534 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.318 -12.750 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.656 -13.195 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.184 -12.748 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.364 -11.045 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.850 -10.424 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.959 -11.569 -2.723 1.00 0.00 H new ATOM 883 N SER A 61 -8.860 -10.953 4.182 1.00 0.00 N ATOM 884 CA SER A 61 -8.583 -11.108 5.605 1.00 0.00 C ATOM 885 C SER A 61 -7.178 -11.660 5.828 1.00 0.00 C ATOM 886 O SER A 61 -6.575 -12.237 4.922 1.00 0.00 O ATOM 887 CB SER A 61 -9.615 -12.035 6.250 1.00 0.00 C ATOM 888 OG SER A 61 -10.920 -11.494 6.147 1.00 0.00 O ATOM 0 H SER A 61 -9.634 -11.521 3.839 1.00 0.00 H new ATOM 0 HA SER A 61 -8.647 -10.125 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.584 -13.012 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.364 -12.190 7.299 1.00 0.00 H new ATOM 0 HG SER A 61 -10.877 -10.616 5.713 1.00 0.00 H new ATOM 894 N ILE A 62 -6.662 -11.478 7.039 1.00 0.00 N ATOM 895 CA ILE A 62 -5.329 -11.958 7.382 1.00 0.00 C ATOM 896 C ILE A 62 -5.386 -13.364 7.970 1.00 0.00 C ATOM 897 O ILE A 62 -4.548 -14.211 7.661 1.00 0.00 O ATOM 898 CB ILE A 62 -4.635 -11.021 8.387 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.536 -9.606 7.814 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.254 -11.553 8.739 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.386 -8.535 8.872 1.00 0.00 C ATOM 0 H ILE A 62 -7.147 -11.001 7.799 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.752 -11.976 6.457 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.232 -10.983 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.685 -9.556 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.428 -9.399 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.775 -10.880 9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.348 -12.544 9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.648 -11.617 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.322 -7.558 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.249 -8.557 9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.479 -8.717 9.448 1.00 0.00 H new ATOM 913 N SER A 63 -6.381 -13.606 8.817 1.00 0.00 N ATOM 914 CA SER A 63 -6.546 -14.909 9.450 1.00 0.00 C ATOM 915 C SER A 63 -7.684 -15.689 8.799 1.00 0.00 C ATOM 916 O SER A 63 -7.645 -16.917 8.724 1.00 0.00 O ATOM 917 CB SER A 63 -6.819 -14.742 10.947 1.00 0.00 C ATOM 918 OG SER A 63 -8.014 -14.013 11.169 1.00 0.00 O ATOM 0 H SER A 63 -7.085 -12.917 9.081 1.00 0.00 H new ATOM 0 HA SER A 63 -5.621 -15.470 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.894 -15.722 11.418 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.982 -14.226 11.417 1.00 0.00 H new ATOM 0 HG SER A 63 -8.167 -13.921 12.133 1.00 0.00 H new ATOM 924 N MET A 64 -8.695 -14.967 8.328 1.00 0.00 N ATOM 925 CA MET A 64 -9.844 -15.591 7.682 1.00 0.00 C ATOM 926 C MET A 64 -9.537 -15.913 6.223 1.00 0.00 C ATOM 927 O MET A 64 -10.443 -16.176 5.430 1.00 0.00 O ATOM 928 CB MET A 64 -11.065 -14.673 7.768 1.00 0.00 C ATOM 929 CG MET A 64 -11.797 -14.758 9.097 1.00 0.00 C ATOM 930 SD MET A 64 -13.265 -13.713 9.150 1.00 0.00 S ATOM 931 CE MET A 64 -14.556 -14.932 8.914 1.00 0.00 C ATOM 0 H MET A 64 -8.742 -13.949 8.381 1.00 0.00 H new ATOM 0 HA MET A 64 -10.062 -16.523 8.204 1.00 0.00 H new ATOM 0 HB2 MET A 64 -10.748 -13.643 7.603 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.757 -14.926 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.085 -15.793 9.283 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.119 -14.467 9.900 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.528 -14.439 8.923 1.00 0.00 H new ATOM 0 HE2 MET A 64 -14.412 -15.434 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.514 -15.666 9.718 1.00 0.00 H new ATOM 941 N THR A 65 -8.255 -15.892 5.873 1.00 0.00 N ATOM 942 CA THR A 65 -7.829 -16.180 4.509 1.00 0.00 C ATOM 943 C THR A 65 -6.400 -16.709 4.480 1.00 0.00 C ATOM 944 O THR A 65 -5.508 -16.157 5.126 1.00 0.00 O ATOM 945 CB THR A 65 -7.920 -14.929 3.616 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.289 -14.543 3.450 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.293 -15.189 2.254 1.00 0.00 C ATOM 0 H THR A 65 -7.493 -15.678 6.516 1.00 0.00 H new ATOM 0 HA THR A 65 -8.504 -16.943 4.121 1.00 0.00 H new ATOM 0 HB THR A 65 -7.372 -14.122 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.862 -15.135 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.369 -14.291 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.243 -15.453 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.817 -16.009 1.763 1.00 0.00 H new ATOM 955 N THR A 66 -6.186 -17.783 3.725 1.00 0.00 N ATOM 956 CA THR A 66 -4.865 -18.387 3.611 1.00 0.00 C ATOM 957 C THR A 66 -4.021 -17.669 2.564 1.00 0.00 C ATOM 958 O THR A 66 -4.537 -17.201 1.550 1.00 0.00 O ATOM 959 CB THR A 66 -4.959 -19.879 3.243 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.809 -20.560 4.172 1.00 0.00 O ATOM 961 CG2 THR A 66 -3.582 -20.524 3.241 1.00 0.00 C ATOM 0 H THR A 66 -6.912 -18.252 3.183 1.00 0.00 H new ATOM 0 HA THR A 66 -4.388 -18.291 4.587 1.00 0.00 H new ATOM 0 HB THR A 66 -5.380 -19.957 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.865 -21.508 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.674 -21.578 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.946 -20.022 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.137 -20.435 4.232 1.00 0.00 H new ATOM 969 N PHE A 67 -2.719 -17.586 2.817 1.00 0.00 N ATOM 970 CA PHE A 67 -1.802 -16.924 1.896 1.00 0.00 C ATOM 971 C PHE A 67 -0.681 -17.869 1.472 1.00 0.00 C ATOM 972 O PHE A 67 -0.453 -18.903 2.100 1.00 0.00 O ATOM 973 CB PHE A 67 -1.210 -15.671 2.544 1.00 0.00 C ATOM 974 CG PHE A 67 -2.226 -14.597 2.809 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.156 -14.741 3.826 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.251 -13.444 2.041 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.092 -13.754 4.073 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.185 -12.454 2.284 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.107 -12.610 3.301 1.00 0.00 C ATOM 0 H PHE A 67 -2.275 -17.969 3.652 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.365 -16.634 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.733 -15.949 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.430 -15.271 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.150 -15.634 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.533 -13.317 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.811 -13.878 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.194 -11.559 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.838 -11.838 3.492 1.00 0.00 H new ATOM 989 N THR A 68 0.017 -17.506 0.400 1.00 0.00 N ATOM 990 CA THR A 68 1.113 -18.320 -0.110 1.00 0.00 C ATOM 991 C THR A 68 2.457 -17.635 0.112 1.00 0.00 C ATOM 992 O THR A 68 2.512 -16.457 0.465 1.00 0.00 O ATOM 993 CB THR A 68 0.942 -18.616 -1.612 1.00 0.00 C ATOM 994 OG1 THR A 68 2.199 -18.995 -2.183 1.00 0.00 O ATOM 995 CG2 THR A 68 0.393 -17.400 -2.343 1.00 0.00 C ATOM 0 H THR A 68 -0.158 -16.653 -0.132 1.00 0.00 H new ATOM 0 HA THR A 68 1.092 -19.259 0.442 1.00 0.00 H new ATOM 0 HB THR A 68 0.233 -19.437 -1.720 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.081 -19.183 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.281 -17.632 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.577 -17.132 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.082 -16.564 -2.226 1.00 0.00 H new ATOM 1003 N GLN A 69 3.537 -18.379 -0.099 1.00 0.00 N ATOM 1004 CA GLN A 69 4.881 -17.842 0.078 1.00 0.00 C ATOM 1005 C GLN A 69 5.101 -16.622 -0.810 1.00 0.00 C ATOM 1006 O GLN A 69 5.473 -15.552 -0.329 1.00 0.00 O ATOM 1007 CB GLN A 69 5.927 -18.912 -0.238 1.00 0.00 C ATOM 1008 CG GLN A 69 7.295 -18.621 0.358 1.00 0.00 C ATOM 1009 CD GLN A 69 8.103 -17.652 -0.483 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.187 -17.791 -1.703 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.703 -16.662 0.168 1.00 0.00 N ATOM 0 H GLN A 69 3.508 -19.355 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 69 4.988 -17.536 1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.575 -19.874 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.024 -19.005 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.171 -18.211 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.848 -19.555 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.606 -16.585 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.260 -15.979 -0.345 1.00 0.00 H new ATOM 1020 N GLN A 70 4.868 -16.791 -2.108 1.00 0.00 N ATOM 1021 CA GLN A 70 5.042 -15.703 -3.063 1.00 0.00 C ATOM 1022 C GLN A 70 4.270 -14.464 -2.623 1.00 0.00 C ATOM 1023 O GLN A 70 4.743 -13.339 -2.779 1.00 0.00 O ATOM 1024 CB GLN A 70 4.580 -16.139 -4.454 1.00 0.00 C ATOM 1025 CG GLN A 70 3.070 -16.262 -4.583 1.00 0.00 C ATOM 1026 CD GLN A 70 2.405 -14.947 -4.940 1.00 0.00 C ATOM 1027 OE1 GLN A 70 2.982 -13.876 -4.752 1.00 0.00 O ATOM 1028 NE2 GLN A 70 1.185 -15.022 -5.457 1.00 0.00 N ATOM 0 H GLN A 70 4.558 -17.670 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 70 6.102 -15.453 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.942 -15.421 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.036 -17.099 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.834 -17.003 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.658 -16.630 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.745 -15.932 -5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.688 -14.170 -5.716 1.00 0.00 H new ATOM 1037 N GLU A 71 3.079 -14.679 -2.072 1.00 0.00 N ATOM 1038 CA GLU A 71 2.241 -13.578 -1.610 1.00 0.00 C ATOM 1039 C GLU A 71 2.868 -12.887 -0.403 1.00 0.00 C ATOM 1040 O GLU A 71 3.130 -11.684 -0.430 1.00 0.00 O ATOM 1041 CB GLU A 71 0.844 -14.087 -1.252 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.129 -14.066 -2.419 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.570 -14.247 -1.981 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -1.867 -15.272 -1.332 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.399 -13.365 -2.288 1.00 0.00 O ATOM 0 H GLU A 71 2.673 -15.605 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 71 2.159 -12.853 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.924 -15.106 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.441 -13.478 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.031 -13.120 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.135 -14.856 -3.122 1.00 0.00 H new ATOM 1052 N ILE A 72 3.104 -13.656 0.655 1.00 0.00 N ATOM 1053 CA ILE A 72 3.699 -13.118 1.872 1.00 0.00 C ATOM 1054 C ILE A 72 4.843 -12.163 1.548 1.00 0.00 C ATOM 1055 O ILE A 72 4.895 -11.046 2.061 1.00 0.00 O ATOM 1056 CB ILE A 72 4.226 -14.241 2.785 1.00 0.00 C ATOM 1057 CG1 ILE A 72 3.065 -15.089 3.309 1.00 0.00 C ATOM 1058 CG2 ILE A 72 5.025 -13.655 3.939 1.00 0.00 C ATOM 1059 CD1 ILE A 72 2.194 -14.365 4.312 1.00 0.00 C ATOM 0 H ILE A 72 2.892 -14.653 0.694 1.00 0.00 H new ATOM 0 HA ILE A 72 2.912 -12.575 2.395 1.00 0.00 H new ATOM 0 HB ILE A 72 4.886 -14.883 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.449 -15.407 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.464 -15.992 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.390 -14.461 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.871 -13.091 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.387 -12.992 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.392 -15.025 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.796 -14.070 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.766 -13.477 3.848 1.00 0.00 H new ATOM 1071 N GLU A 73 5.757 -12.611 0.693 1.00 0.00 N ATOM 1072 CA GLU A 73 6.900 -11.795 0.301 1.00 0.00 C ATOM 1073 C GLU A 73 6.441 -10.478 -0.319 1.00 0.00 C ATOM 1074 O GLU A 73 6.830 -9.399 0.128 1.00 0.00 O ATOM 1075 CB GLU A 73 7.783 -12.557 -0.689 1.00 0.00 C ATOM 1076 CG GLU A 73 8.870 -13.384 -0.023 1.00 0.00 C ATOM 1077 CD GLU A 73 10.036 -12.541 0.454 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.464 -11.640 -0.297 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.520 -12.782 1.580 1.00 0.00 O ATOM 0 H GLU A 73 5.728 -13.534 0.259 1.00 0.00 H new ATOM 0 HA GLU A 73 7.480 -11.572 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.156 -13.214 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.247 -11.845 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.444 -13.921 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.233 -14.134 -0.726 1.00 0.00 H new ATOM 1086 N PHE A 74 5.611 -10.575 -1.353 1.00 0.00 N ATOM 1087 CA PHE A 74 5.100 -9.393 -2.036 1.00 0.00 C ATOM 1088 C PHE A 74 4.650 -8.336 -1.031 1.00 0.00 C ATOM 1089 O PHE A 74 4.820 -7.137 -1.256 1.00 0.00 O ATOM 1090 CB PHE A 74 3.933 -9.772 -2.951 1.00 0.00 C ATOM 1091 CG PHE A 74 3.046 -8.612 -3.302 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.077 -8.170 -2.415 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.180 -7.963 -4.519 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.259 -7.104 -2.736 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.364 -6.896 -4.845 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.403 -6.465 -3.952 1.00 0.00 C ATOM 0 H PHE A 74 5.278 -11.460 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 74 5.906 -8.976 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.328 -10.208 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.335 -10.542 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.960 -8.665 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.931 -8.295 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.507 -6.770 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.478 -6.400 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.766 -5.630 -4.204 1.00 0.00 H new ATOM 1106 N LEU A 75 4.074 -8.789 0.077 1.00 0.00 N ATOM 1107 CA LEU A 75 3.599 -7.883 1.117 1.00 0.00 C ATOM 1108 C LEU A 75 4.767 -7.292 1.900 1.00 0.00 C ATOM 1109 O LEU A 75 4.987 -6.082 1.884 1.00 0.00 O ATOM 1110 CB LEU A 75 2.653 -8.619 2.068 1.00 0.00 C ATOM 1111 CG LEU A 75 1.175 -8.619 1.676 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.403 -9.633 2.507 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.579 -7.228 1.840 1.00 0.00 C ATOM 0 H LEU A 75 3.925 -9.778 0.278 1.00 0.00 H new ATOM 0 HA LEU A 75 3.059 -7.068 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.986 -9.653 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.746 -8.173 3.058 1.00 0.00 H new ATOM 0 HG LEU A 75 1.097 -8.904 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.647 -9.619 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.813 -10.629 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.489 -9.378 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.473 -7.247 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.669 -6.914 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.114 -6.525 1.201 1.00 0.00 H new ATOM 1125 N GLN A 76 5.513 -8.156 2.582 1.00 0.00 N ATOM 1126 CA GLN A 76 6.659 -7.718 3.370 1.00 0.00 C ATOM 1127 C GLN A 76 7.537 -6.762 2.569 1.00 0.00 C ATOM 1128 O GLN A 76 7.839 -5.656 3.018 1.00 0.00 O ATOM 1129 CB GLN A 76 7.482 -8.925 3.825 1.00 0.00 C ATOM 1130 CG GLN A 76 6.971 -9.560 5.108 1.00 0.00 C ATOM 1131 CD GLN A 76 8.024 -10.403 5.801 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.959 -9.876 6.404 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.878 -11.720 5.718 1.00 0.00 N ATOM 0 H GLN A 76 5.344 -9.162 2.605 1.00 0.00 H new ATOM 0 HA GLN A 76 6.285 -7.190 4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.481 -9.674 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.517 -8.615 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.633 -8.777 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.105 -10.181 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.088 -12.114 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.556 -12.337 6.164 1.00 0.00 H new ATOM 1142 N LYS A 77 7.945 -7.196 1.381 1.00 0.00 N ATOM 1143 CA LYS A 77 8.787 -6.379 0.516 1.00 0.00 C ATOM 1144 C LYS A 77 8.319 -4.927 0.514 1.00 0.00 C ATOM 1145 O LYS A 77 9.131 -4.003 0.461 1.00 0.00 O ATOM 1146 CB LYS A 77 8.776 -6.932 -0.911 1.00 0.00 C ATOM 1147 CG LYS A 77 9.600 -8.196 -1.080 1.00 0.00 C ATOM 1148 CD LYS A 77 9.741 -8.579 -2.543 1.00 0.00 C ATOM 1149 CE LYS A 77 10.819 -7.757 -3.233 1.00 0.00 C ATOM 1150 NZ LYS A 77 12.179 -8.319 -3.001 1.00 0.00 N ATOM 0 H LYS A 77 7.706 -8.110 0.995 1.00 0.00 H new ATOM 0 HA LYS A 77 9.805 -6.413 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.746 -7.138 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.154 -6.168 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.588 -8.048 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.130 -9.013 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.984 -9.639 -2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.788 -8.432 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.619 -7.721 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.783 -6.731 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.885 -7.731 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.381 -8.330 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.222 -9.289 -3.373 1.00 0.00 H new ATOM 1164 N HIS A 78 7.005 -4.734 0.572 1.00 0.00 N ATOM 1165 CA HIS A 78 6.430 -3.393 0.579 1.00 0.00 C ATOM 1166 C HIS A 78 5.963 -3.010 1.980 1.00 0.00 C ATOM 1167 O HIS A 78 6.606 -2.214 2.663 1.00 0.00 O ATOM 1168 CB HIS A 78 5.259 -3.314 -0.401 1.00 0.00 C ATOM 1169 CG HIS A 78 5.683 -3.193 -1.832 1.00 0.00 C ATOM 1170 ND1 HIS A 78 6.002 -4.280 -2.618 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.839 -2.103 -2.620 1.00 0.00 C ATOM 1172 CE1 HIS A 78 6.337 -3.865 -3.826 1.00 0.00 C ATOM 1173 NE2 HIS A 78 6.246 -2.548 -3.854 1.00 0.00 N ATOM 0 H HIS A 78 6.319 -5.488 0.615 1.00 0.00 H new ATOM 0 HA HIS A 78 7.203 -2.690 0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.641 -4.204 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.636 -2.458 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.674 -1.075 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.635 -4.495 -4.651 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.446 -1.957 -4.661 1.00 0.00 H new ATOM 1181 N GLY A 79 4.838 -3.581 2.401 1.00 0.00 N ATOM 1182 CA GLY A 79 4.304 -3.286 3.718 1.00 0.00 C ATOM 1183 C GLY A 79 4.064 -1.804 3.927 1.00 0.00 C ATOM 1184 O GLY A 79 4.607 -0.972 3.202 1.00 0.00 O ATOM 0 H GLY A 79 4.287 -4.242 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.367 -3.826 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.996 -3.650 4.477 1.00 0.00 H new ATOM 1188 N ASN A 80 3.245 -1.473 4.920 1.00 0.00 N ATOM 1189 CA ASN A 80 2.932 -0.081 5.221 1.00 0.00 C ATOM 1190 C ASN A 80 4.205 0.720 5.476 1.00 0.00 C ATOM 1191 O ASN A 80 4.193 1.950 5.440 1.00 0.00 O ATOM 1192 CB ASN A 80 2.010 0.004 6.439 1.00 0.00 C ATOM 1193 CG ASN A 80 0.701 -0.732 6.226 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.605 -1.616 5.375 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.315 -0.370 7.001 1.00 0.00 N ATOM 0 H ASN A 80 2.786 -2.150 5.530 1.00 0.00 H new ATOM 0 HA ASN A 80 2.422 0.346 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.521 -0.412 7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.803 1.051 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.220 -0.830 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.190 0.368 7.694 1.00 0.00 H new ATOM 1202 N GLU A 81 5.301 0.013 5.734 1.00 0.00 N ATOM 1203 CA GLU A 81 6.582 0.659 5.995 1.00 0.00 C ATOM 1204 C GLU A 81 6.912 1.674 4.904 1.00 0.00 C ATOM 1205 O GLU A 81 6.968 2.878 5.157 1.00 0.00 O ATOM 1206 CB GLU A 81 7.696 -0.386 6.088 1.00 0.00 C ATOM 1207 CG GLU A 81 9.079 0.214 6.274 1.00 0.00 C ATOM 1208 CD GLU A 81 10.089 -0.796 6.783 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.695 -1.500 5.948 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.274 -0.882 8.014 1.00 0.00 O ATOM 0 H GLU A 81 5.327 -1.006 5.768 1.00 0.00 H new ATOM 0 HA GLU A 81 6.507 1.185 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.485 -1.057 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.691 -0.992 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.425 0.621 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.019 1.047 6.975 1.00 0.00 H new ATOM 1217 N VAL A 82 7.129 1.179 3.690 1.00 0.00 N ATOM 1218 CA VAL A 82 7.453 2.042 2.560 1.00 0.00 C ATOM 1219 C VAL A 82 6.190 2.508 1.845 1.00 0.00 C ATOM 1220 O VAL A 82 6.120 3.639 1.361 1.00 0.00 O ATOM 1221 CB VAL A 82 8.366 1.323 1.549 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.645 0.851 2.225 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.633 0.156 0.904 1.00 0.00 C ATOM 0 H VAL A 82 7.086 0.185 3.464 1.00 0.00 H new ATOM 0 HA VAL A 82 7.979 2.907 2.963 1.00 0.00 H new ATOM 0 HB VAL A 82 8.637 2.030 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.277 0.345 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.178 1.709 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.397 0.160 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.293 -0.340 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.330 -0.554 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.750 0.525 0.383 1.00 0.00 H new ATOM 1233 N CYS A 83 5.195 1.631 1.782 1.00 0.00 N ATOM 1234 CA CYS A 83 3.932 1.953 1.125 1.00 0.00 C ATOM 1235 C CYS A 83 3.437 3.333 1.545 1.00 0.00 C ATOM 1236 O CYS A 83 3.406 4.265 0.741 1.00 0.00 O ATOM 1237 CB CYS A 83 2.877 0.896 1.456 1.00 0.00 C ATOM 1238 SG CYS A 83 2.831 -0.490 0.297 1.00 0.00 S ATOM 0 H CYS A 83 5.237 0.692 2.177 1.00 0.00 H new ATOM 0 HA CYS A 83 4.102 1.961 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.066 0.511 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.896 1.371 1.476 1.00 0.00 H new ATOM 0 HG CYS A 83 1.684 -1.095 0.389 1.00 0.00 H new ATOM 1244 N LYS A 84 3.049 3.456 2.810 1.00 0.00 N ATOM 1245 CA LYS A 84 2.554 4.722 3.339 1.00 0.00 C ATOM 1246 C LYS A 84 3.421 5.885 2.866 1.00 0.00 C ATOM 1247 O LYS A 84 2.962 6.748 2.118 1.00 0.00 O ATOM 1248 CB LYS A 84 2.525 4.683 4.869 1.00 0.00 C ATOM 1249 CG LYS A 84 1.665 5.771 5.489 1.00 0.00 C ATOM 1250 CD LYS A 84 1.051 5.316 6.802 1.00 0.00 C ATOM 1251 CE LYS A 84 -0.082 4.328 6.574 1.00 0.00 C ATOM 1252 NZ LYS A 84 0.403 2.920 6.557 1.00 0.00 N ATOM 0 H LYS A 84 3.068 2.694 3.488 1.00 0.00 H new ATOM 0 HA LYS A 84 1.541 4.872 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.154 3.710 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.543 4.778 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.270 6.662 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.873 6.051 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.818 4.854 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.676 6.181 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.829 4.445 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.575 4.553 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.320 2.536 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.398 2.892 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.171 2.347 7.208 1.00 0.00 H new ATOM 1266 N GLN A 85 4.675 5.900 3.307 1.00 0.00 N ATOM 1267 CA GLN A 85 5.604 6.957 2.927 1.00 0.00 C ATOM 1268 C GLN A 85 5.518 7.248 1.433 1.00 0.00 C ATOM 1269 O GLN A 85 5.482 8.406 1.017 1.00 0.00 O ATOM 1270 CB GLN A 85 7.035 6.565 3.300 1.00 0.00 C ATOM 1271 CG GLN A 85 7.414 6.932 4.726 1.00 0.00 C ATOM 1272 CD GLN A 85 8.907 6.845 4.974 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.617 7.850 4.920 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.393 5.639 5.247 1.00 0.00 N ATOM 0 H GLN A 85 5.070 5.193 3.927 1.00 0.00 H new ATOM 0 HA GLN A 85 5.328 7.861 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.155 5.490 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.727 7.051 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.073 7.945 4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.895 6.268 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.768 4.833 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.391 5.519 5.422 1.00 0.00 H new ATOM 1283 N ILE A 86 5.485 6.189 0.630 1.00 0.00 N ATOM 1284 CA ILE A 86 5.402 6.332 -0.818 1.00 0.00 C ATOM 1285 C ILE A 86 4.138 7.083 -1.225 1.00 0.00 C ATOM 1286 O ILE A 86 4.114 7.771 -2.246 1.00 0.00 O ATOM 1287 CB ILE A 86 5.419 4.961 -1.521 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.824 4.357 -1.471 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.946 5.098 -2.960 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.837 2.848 -1.582 1.00 0.00 C ATOM 0 H ILE A 86 5.514 5.224 0.958 1.00 0.00 H new ATOM 0 HA ILE A 86 6.277 6.902 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 86 4.737 4.291 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.421 4.778 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.303 4.649 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.964 4.121 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.929 5.491 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.606 5.780 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.865 2.489 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.268 2.418 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.387 2.549 -2.529 1.00 0.00 H new ATOM 1302 N TRP A 87 3.091 6.947 -0.419 1.00 0.00 N ATOM 1303 CA TRP A 87 1.824 7.615 -0.695 1.00 0.00 C ATOM 1304 C TRP A 87 1.757 8.966 0.007 1.00 0.00 C ATOM 1305 O TRP A 87 0.872 9.777 -0.269 1.00 0.00 O ATOM 1306 CB TRP A 87 0.654 6.736 -0.249 1.00 0.00 C ATOM 1307 CG TRP A 87 0.477 5.509 -1.092 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.839 4.233 -0.768 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.104 5.444 -2.399 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.518 3.378 -1.795 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.062 4.097 -2.807 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.657 6.393 -3.264 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.552 3.677 -4.041 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.142 5.975 -4.488 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.087 4.627 -4.868 1.00 0.00 C ATOM 0 H TRP A 87 3.094 6.381 0.430 1.00 0.00 H new ATOM 0 HA TRP A 87 1.756 7.782 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.808 6.437 0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.264 7.323 -0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.309 3.939 0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.684 2.372 -1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.704 7.434 -2.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.511 2.639 -4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.571 6.700 -5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.474 4.332 -5.832 1.00 0.00 H new ATOM 1326 N LEU A 88 2.697 9.204 0.915 1.00 0.00 N ATOM 1327 CA LEU A 88 2.745 10.459 1.657 1.00 0.00 C ATOM 1328 C LEU A 88 3.961 11.285 1.251 1.00 0.00 C ATOM 1329 O LEU A 88 4.397 12.169 1.987 1.00 0.00 O ATOM 1330 CB LEU A 88 2.779 10.184 3.161 1.00 0.00 C ATOM 1331 CG LEU A 88 1.848 9.080 3.663 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.388 9.374 5.083 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.653 8.927 2.734 1.00 0.00 C ATOM 0 H LEU A 88 3.437 8.544 1.155 1.00 0.00 H new ATOM 0 HA LEU A 88 1.847 11.028 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.800 9.925 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.530 11.107 3.685 1.00 0.00 H new ATOM 0 HG LEU A 88 2.400 8.140 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.726 8.578 5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.255 9.432 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.853 10.323 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.001 8.137 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.100 9.865 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.001 8.669 1.734 1.00 0.00 H new ATOM 1345 N GLY A 89 4.503 10.992 0.073 1.00 0.00 N ATOM 1346 CA GLY A 89 5.663 11.718 -0.411 1.00 0.00 C ATOM 1347 C GLY A 89 5.486 13.221 -0.320 1.00 0.00 C ATOM 1348 O GLY A 89 6.426 13.946 0.007 1.00 0.00 O ATOM 0 H GLY A 89 4.160 10.265 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.539 11.423 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.855 11.440 -1.447 1.00 0.00 H new ATOM 1352 N LEU A 90 4.278 13.691 -0.610 1.00 0.00 N ATOM 1353 CA LEU A 90 3.980 15.119 -0.561 1.00 0.00 C ATOM 1354 C LEU A 90 2.975 15.427 0.544 1.00 0.00 C ATOM 1355 O LEU A 90 2.364 16.497 0.561 1.00 0.00 O ATOM 1356 CB LEU A 90 3.435 15.593 -1.910 1.00 0.00 C ATOM 1357 CG LEU A 90 4.478 15.905 -2.983 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.814 16.070 -4.341 1.00 0.00 C ATOM 1359 CD2 LEU A 90 5.263 17.156 -2.615 1.00 0.00 C ATOM 0 H LEU A 90 3.489 13.105 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 90 4.906 15.652 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.763 14.827 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.836 16.488 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 90 5.173 15.068 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.572 16.292 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.297 15.148 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.096 16.889 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.001 17.363 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.581 18.001 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.770 17.000 -1.663 1.00 0.00 H new ATOM 1371 N PHE A 91 2.809 14.485 1.466 1.00 0.00 N ATOM 1372 CA PHE A 91 1.879 14.657 2.576 1.00 0.00 C ATOM 1373 C PHE A 91 2.627 14.775 3.900 1.00 0.00 C ATOM 1374 O PHE A 91 3.319 13.847 4.319 1.00 0.00 O ATOM 1375 CB PHE A 91 0.899 13.483 2.634 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.125 13.611 3.725 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.230 13.427 5.052 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.443 13.915 3.424 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.711 13.543 6.058 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.388 14.033 4.426 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.021 13.848 5.745 1.00 0.00 C ATOM 0 H PHE A 91 3.306 13.594 1.467 1.00 0.00 H new ATOM 0 HA PHE A 91 1.322 15.579 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.388 13.399 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.459 12.559 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.253 13.190 5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.735 14.061 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.422 13.395 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.412 14.270 4.178 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.757 13.942 6.530 1.00 0.00 H new ATOM 1391 N ASP A 92 2.484 15.923 4.553 1.00 0.00 N ATOM 1392 CA ASP A 92 3.146 16.164 5.830 1.00 0.00 C ATOM 1393 C ASP A 92 2.123 16.336 6.948 1.00 0.00 C ATOM 1394 O ASP A 92 1.135 17.054 6.794 1.00 0.00 O ATOM 1395 CB ASP A 92 4.037 17.404 5.741 1.00 0.00 C ATOM 1396 CG ASP A 92 5.355 17.122 5.046 1.00 0.00 C ATOM 1397 OD1 ASP A 92 6.061 16.185 5.473 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.680 17.838 4.077 1.00 0.00 O ATOM 0 H ASP A 92 1.916 16.701 4.219 1.00 0.00 H new ATOM 0 HA ASP A 92 3.766 15.297 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.507 18.190 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.232 17.780 6.745 1.00 0.00 H new ATOM 1403 N ASP A 93 2.367 15.673 8.073 1.00 0.00 N ATOM 1404 CA ASP A 93 1.467 15.753 9.218 1.00 0.00 C ATOM 1405 C ASP A 93 1.323 17.194 9.697 1.00 0.00 C ATOM 1406 O ASP A 93 0.253 17.606 10.144 1.00 0.00 O ATOM 1407 CB ASP A 93 1.978 14.871 10.358 1.00 0.00 C ATOM 1408 CG ASP A 93 3.488 14.917 10.493 1.00 0.00 C ATOM 1409 OD1 ASP A 93 4.074 15.988 10.229 1.00 0.00 O ATOM 1410 OD2 ASP A 93 4.083 13.883 10.861 1.00 0.00 O ATOM 0 H ASP A 93 3.180 15.074 8.217 1.00 0.00 H new ATOM 0 HA ASP A 93 0.487 15.395 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.522 15.192 11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.663 13.842 10.187 1.00 0.00 H new ATOM 1415 N ARG A 94 2.409 17.955 9.602 1.00 0.00 N ATOM 1416 CA ARG A 94 2.405 19.349 10.028 1.00 0.00 C ATOM 1417 C ARG A 94 1.678 20.225 9.012 1.00 0.00 C ATOM 1418 O ARG A 94 1.050 21.220 9.373 1.00 0.00 O ATOM 1419 CB ARG A 94 3.838 19.851 10.217 1.00 0.00 C ATOM 1420 CG ARG A 94 4.506 20.288 8.924 1.00 0.00 C ATOM 1421 CD ARG A 94 5.779 21.075 9.193 1.00 0.00 C ATOM 1422 NE ARG A 94 6.710 21.011 8.070 1.00 0.00 N ATOM 1423 CZ ARG A 94 7.534 19.991 7.856 1.00 0.00 C ATOM 1424 NH1 ARG A 94 7.542 18.956 8.684 1.00 0.00 N ATOM 1425 NH2 ARG A 94 8.352 20.005 6.811 1.00 0.00 N ATOM 0 H ARG A 94 3.303 17.629 9.234 1.00 0.00 H new ATOM 0 HA ARG A 94 1.877 19.411 10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.831 20.689 10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.433 19.061 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.740 19.412 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.814 20.900 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.526 22.116 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.264 20.685 10.088 1.00 0.00 H new ATOM 0 HE ARG A 94 6.729 21.792 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.914 18.941 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.176 18.174 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.348 20.799 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.984 19.221 6.648 1.00 0.00 H new ATOM 1439 N SER A 95 1.768 19.849 7.741 1.00 0.00 N ATOM 1440 CA SER A 95 1.123 20.603 6.672 1.00 0.00 C ATOM 1441 C SER A 95 -0.384 20.368 6.676 1.00 0.00 C ATOM 1442 O SER A 95 -1.162 21.261 7.010 1.00 0.00 O ATOM 1443 CB SER A 95 1.709 20.209 5.315 1.00 0.00 C ATOM 1444 OG SER A 95 3.063 20.613 5.208 1.00 0.00 O ATOM 0 H SER A 95 2.282 19.026 7.426 1.00 0.00 H new ATOM 0 HA SER A 95 1.309 21.663 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.637 19.129 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.125 20.667 4.516 1.00 0.00 H new ATOM 0 HG SER A 95 3.415 20.348 4.333 1.00 0.00 H new ATOM 1450 N SER A 96 -0.789 19.158 6.301 1.00 0.00 N ATOM 1451 CA SER A 96 -2.203 18.805 6.256 1.00 0.00 C ATOM 1452 C SER A 96 -2.623 18.083 7.533 1.00 0.00 C ATOM 1453 O SER A 96 -1.785 17.566 8.271 1.00 0.00 O ATOM 1454 CB SER A 96 -2.493 17.924 5.039 1.00 0.00 C ATOM 1455 OG SER A 96 -2.322 18.649 3.833 1.00 0.00 O ATOM 0 H SER A 96 -0.158 18.406 6.024 1.00 0.00 H new ATOM 0 HA SER A 96 -2.780 19.726 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.829 17.060 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.513 17.543 5.097 1.00 0.00 H new ATOM 0 HG SER A 96 -2.511 18.064 3.070 1.00 0.00 H new ATOM 1461 N ALA A 97 -3.928 18.052 7.786 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.460 17.392 8.971 1.00 0.00 C ATOM 1463 C ALA A 97 -5.071 16.040 8.618 1.00 0.00 C ATOM 1464 O ALA A 97 -5.516 15.825 7.491 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.493 18.279 9.650 1.00 0.00 C ATOM 0 H ALA A 97 -4.635 18.476 7.186 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.635 17.219 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.882 17.773 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.027 19.219 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.311 18.481 8.958 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.089 15.133 9.589 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.646 13.802 9.381 1.00 0.00 C ATOM 1473 C ILE A 98 -7.148 13.787 9.647 1.00 0.00 C ATOM 1474 O ILE A 98 -7.637 14.366 10.617 1.00 0.00 O ATOM 1475 CB ILE A 98 -4.965 12.759 10.285 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.456 12.738 10.030 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.566 11.381 10.050 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.084 12.253 8.647 1.00 0.00 C ATOM 0 H ILE A 98 -4.724 15.296 10.528 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.462 13.542 8.339 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.135 13.036 11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.057 13.742 10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.979 12.097 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.074 10.654 10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.632 11.405 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.423 11.095 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.000 12.265 8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.452 11.237 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.532 12.908 7.899 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.898 13.107 8.767 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.354 12.997 8.887 1.00 0.00 C ATOM 1492 C PRO A 99 -9.775 12.127 10.066 1.00 0.00 C ATOM 1493 O PRO A 99 -8.946 11.735 10.887 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.771 12.346 7.566 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.565 11.594 7.117 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.381 12.393 7.587 1.00 0.00 C ATOM 0 HA PRO A 99 -9.822 13.965 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.624 11.681 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.067 13.095 6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.551 10.590 7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.555 11.483 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.539 11.750 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.033 13.084 6.820 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.067 11.828 10.144 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.597 11.002 11.222 1.00 0.00 C ATOM 1506 C ASP A 100 -11.584 9.527 10.834 1.00 0.00 C ATOM 1507 O ASP A 100 -11.404 9.184 9.665 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.021 11.437 11.573 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.072 12.836 12.155 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.528 13.764 11.520 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.657 13.004 13.245 1.00 0.00 O ATOM 0 H ASP A 100 -11.767 12.146 9.473 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.959 11.135 12.095 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.641 11.396 10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.447 10.733 12.288 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.774 8.659 11.822 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.782 7.220 11.584 1.00 0.00 C ATOM 1518 C PHE A 101 -13.119 6.608 11.993 1.00 0.00 C ATOM 1519 O PHE A 101 -13.613 5.683 11.349 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.644 6.548 12.354 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.357 7.322 12.318 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.909 7.892 11.137 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.595 7.479 13.465 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.725 8.605 11.100 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.411 8.191 13.434 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.975 8.753 12.250 1.00 0.00 C ATOM 0 H PHE A 101 -11.924 8.927 12.795 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.638 7.053 10.517 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.948 6.413 13.392 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.473 5.554 11.940 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.492 7.778 10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.930 7.040 14.393 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.387 9.045 10.173 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.827 8.308 14.335 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.049 9.308 12.224 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.698 7.132 13.069 1.00 0.00 N ATOM 1537 CA ARG A 102 -14.976 6.637 13.565 1.00 0.00 C ATOM 1538 C ARG A 102 -16.013 6.591 12.447 1.00 0.00 C ATOM 1539 O ARG A 102 -16.872 5.710 12.420 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.481 7.522 14.707 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.716 7.335 16.007 1.00 0.00 C ATOM 1542 CD ARG A 102 -14.888 8.529 16.932 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.208 9.718 16.423 1.00 0.00 N ATOM 1544 CZ ARG A 102 -13.808 10.722 17.194 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -14.018 10.682 18.503 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -13.196 11.770 16.657 1.00 0.00 N ATOM 0 H ARG A 102 -13.302 7.899 13.613 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.824 5.624 13.938 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.414 8.567 14.403 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.535 7.308 14.882 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.064 6.432 16.508 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.658 7.191 15.790 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.950 8.743 17.054 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.497 8.282 17.919 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.031 9.780 15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.488 9.878 18.920 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.710 11.455 19.093 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.032 11.805 15.651 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.889 12.541 17.250 1.00 0.00 H new ATOM 1560 N ASP A 103 -15.926 7.545 11.527 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.856 7.613 10.406 1.00 0.00 C ATOM 1562 C ASP A 103 -16.184 7.159 9.114 1.00 0.00 C ATOM 1563 O ASP A 103 -15.133 7.666 8.721 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.391 9.037 10.244 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.209 9.487 11.439 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.301 8.922 11.657 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -17.756 10.403 12.156 1.00 0.00 O ATOM 0 H ASP A 103 -15.221 8.282 11.535 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.689 6.942 10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.555 9.722 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.006 9.091 9.345 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.802 6.180 8.437 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.281 5.636 7.179 1.00 0.00 C ATOM 1574 C PRO A 104 -16.386 6.632 6.029 1.00 0.00 C ATOM 1575 O PRO A 104 -15.456 6.778 5.237 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.177 4.422 6.920 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.448 4.730 7.634 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.058 5.529 8.846 1.00 0.00 C ATOM 0 HA PRO A 104 -15.221 5.393 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.347 4.276 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.722 3.506 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.127 5.295 6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.967 3.815 7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.823 6.260 9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.914 4.891 9.718 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.524 7.313 5.945 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.750 8.295 4.890 1.00 0.00 C ATOM 1588 C GLN A 105 -16.550 9.225 4.747 1.00 0.00 C ATOM 1589 O GLN A 105 -15.986 9.366 3.662 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.010 9.110 5.185 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.292 8.440 4.716 1.00 0.00 C ATOM 1592 CD GLN A 105 -21.492 8.819 5.561 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.524 9.889 6.169 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -22.487 7.941 5.603 1.00 0.00 N ATOM 0 H GLN A 105 -18.303 7.203 6.594 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.885 7.759 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.075 9.288 6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.923 10.085 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.482 8.714 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.162 7.358 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -22.418 7.066 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -23.321 8.141 6.155 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.165 9.859 5.849 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.031 10.776 5.848 1.00 0.00 C ATOM 1605 C LYS A 106 -13.789 10.105 5.272 1.00 0.00 C ATOM 1606 O LYS A 106 -13.196 10.593 4.310 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.746 11.269 7.268 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.922 11.982 7.913 1.00 0.00 C ATOM 1609 CD LYS A 106 -16.149 13.352 7.297 1.00 0.00 C ATOM 1610 CE LYS A 106 -17.098 14.191 8.139 1.00 0.00 C ATOM 1611 NZ LYS A 106 -18.492 13.669 8.092 1.00 0.00 N ATOM 0 H LYS A 106 -16.622 9.755 6.755 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.286 11.629 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.463 10.419 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.891 11.945 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.822 11.377 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.742 12.088 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.195 13.870 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.556 13.238 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.750 14.205 9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.084 15.221 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.107 14.268 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.833 13.679 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.510 12.695 8.455 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.399 8.982 5.867 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.228 8.241 5.412 1.00 0.00 C ATOM 1627 C VAL A 107 -12.283 7.997 3.908 1.00 0.00 C ATOM 1628 O VAL A 107 -11.364 8.360 3.175 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.103 6.888 6.136 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.931 6.092 5.583 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.955 7.099 7.636 1.00 0.00 C ATOM 0 H VAL A 107 -13.877 8.565 6.666 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.356 8.852 5.647 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.014 6.316 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.859 5.139 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.084 5.910 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.009 6.655 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.868 6.133 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.061 7.690 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.830 7.625 8.017 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.369 7.380 3.454 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.547 7.088 2.036 1.00 0.00 C ATOM 1643 C LYS A 108 -13.025 8.233 1.175 1.00 0.00 C ATOM 1644 O LYS A 108 -12.235 8.020 0.256 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.024 6.836 1.728 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.310 6.622 0.252 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.692 6.032 0.031 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.248 6.410 -1.334 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.906 7.746 -1.313 1.00 0.00 N ATOM 0 H LYS A 108 -14.139 7.072 4.048 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.975 6.190 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.358 5.961 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.610 7.683 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.230 7.572 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.558 5.957 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.643 4.947 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.368 6.384 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.441 6.414 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.967 5.656 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.272 7.968 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.692 7.735 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.214 8.469 -1.031 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.470 9.448 1.481 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.046 10.626 0.734 1.00 0.00 C ATOM 1665 C GLU A 109 -11.526 10.759 0.744 1.00 0.00 C ATOM 1666 O GLU A 109 -10.876 10.658 -0.297 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.683 11.887 1.322 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.199 11.825 1.397 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.796 13.007 2.135 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.769 14.127 1.583 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.291 12.812 3.264 1.00 0.00 O ATOM 0 H GLU A 109 -14.123 9.642 2.240 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.376 10.508 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.285 12.052 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.392 12.746 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.608 11.788 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.497 10.902 1.895 1.00 0.00 H new ATOM 1678 N PHE A 110 -10.966 10.987 1.927 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.522 11.136 2.074 1.00 0.00 C ATOM 1680 C PHE A 110 -8.782 10.054 1.293 1.00 0.00 C ATOM 1681 O PHE A 110 -7.764 10.321 0.653 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.129 11.073 3.551 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.645 11.044 3.776 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -6.897 9.935 3.413 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -6.997 12.126 4.350 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.530 9.906 3.618 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.630 12.102 4.557 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.896 10.990 4.192 1.00 0.00 C ATOM 0 H PHE A 110 -11.490 11.073 2.798 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.239 12.109 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.550 11.936 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.574 10.185 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.388 9.084 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.566 12.997 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.959 9.036 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.136 12.952 5.004 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.829 10.969 4.355 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.301 8.832 1.350 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.690 7.708 0.648 1.00 0.00 C ATOM 1700 C LEU A 111 -8.680 7.947 -0.858 1.00 0.00 C ATOM 1701 O LEU A 111 -7.700 7.642 -1.537 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.441 6.414 0.966 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.021 5.692 2.247 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.052 4.642 2.630 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.649 5.056 2.075 1.00 0.00 C ATOM 0 H LEU A 111 -10.143 8.594 1.875 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.659 7.616 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.505 6.642 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.314 5.729 0.128 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.962 6.425 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.736 4.138 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.016 5.122 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.143 3.911 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.366 4.547 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.682 4.336 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.915 5.829 1.848 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.776 8.495 -1.373 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.892 8.776 -2.799 1.00 0.00 C ATOM 1719 C GLN A 112 -8.777 9.708 -3.262 1.00 0.00 C ATOM 1720 O GLN A 112 -8.002 9.367 -4.156 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.254 9.398 -3.108 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.413 8.424 -2.969 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.665 8.901 -3.680 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.720 8.933 -4.909 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.678 9.274 -2.907 1.00 0.00 N ATOM 0 H GLN A 112 -10.596 8.753 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.800 7.833 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.418 10.243 -2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.242 9.793 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.118 7.455 -3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.634 8.277 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.588 9.231 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.546 9.604 -3.328 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.703 10.885 -2.649 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.683 11.866 -3.001 1.00 0.00 C ATOM 1736 C GLU A 113 -6.285 11.271 -2.862 1.00 0.00 C ATOM 1737 O GLU A 113 -5.303 11.845 -3.335 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.811 13.108 -2.116 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.162 13.795 -2.223 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.431 14.341 -3.612 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.608 15.141 -4.105 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.464 13.968 -4.206 1.00 0.00 O ATOM 0 H GLU A 113 -9.336 11.182 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.835 12.153 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.639 12.823 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.029 13.818 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.947 13.087 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.209 14.610 -1.501 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.202 10.117 -2.210 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.925 9.442 -2.008 1.00 0.00 C ATOM 1751 C LYS A 114 -4.691 8.388 -3.085 1.00 0.00 C ATOM 1752 O LYS A 114 -3.556 8.158 -3.505 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.883 8.790 -0.624 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.478 8.463 -0.148 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.499 7.680 1.154 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.247 7.939 1.980 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.499 7.766 3.437 1.00 0.00 N ATOM 0 H LYS A 114 -7.004 9.629 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.133 10.188 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.356 9.457 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.473 7.874 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.959 7.885 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.916 9.386 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.381 7.956 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.580 6.615 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.456 7.258 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.890 8.951 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.097 8.572 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.524 7.719 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.052 6.886 3.764 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.769 7.752 -3.529 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.680 6.722 -4.557 1.00 0.00 C ATOM 1773 C TYR A 115 -6.460 7.128 -5.804 1.00 0.00 C ATOM 1774 O TYR A 115 -5.911 7.173 -6.904 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.210 5.390 -4.022 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.535 4.938 -2.747 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.150 4.951 -2.628 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.281 4.500 -1.660 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.529 4.538 -1.465 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.669 4.086 -0.493 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.293 4.107 -0.401 1.00 0.00 C ATOM 1782 OH TYR A 115 -3.678 3.697 0.760 1.00 0.00 O ATOM 0 H TYR A 115 -6.715 7.932 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.631 6.605 -4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.282 5.480 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.077 4.623 -4.785 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.549 5.290 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.359 4.483 -1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.452 4.553 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.264 3.748 0.342 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.404 4.481 1.280 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.743 7.423 -5.622 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.599 7.825 -6.732 1.00 0.00 C ATOM 1794 C GLU A 116 -7.987 8.997 -7.493 1.00 0.00 C ATOM 1795 O GLU A 116 -8.042 9.052 -8.722 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.990 8.205 -6.221 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.089 8.022 -7.254 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.317 9.266 -8.090 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.594 9.451 -9.090 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.221 10.056 -7.742 1.00 0.00 O ATOM 0 H GLU A 116 -8.212 7.391 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.689 6.979 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.223 7.601 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.977 9.246 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.831 7.190 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.017 7.754 -6.748 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.404 9.935 -6.754 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.780 11.107 -7.357 1.00 0.00 C ATOM 1809 C LYS A 117 -5.260 11.008 -7.295 1.00 0.00 C ATOM 1810 O LYS A 117 -4.555 11.562 -8.139 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.248 12.381 -6.648 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.749 12.435 -6.423 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.497 12.708 -7.717 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.986 12.897 -7.471 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.278 14.198 -6.808 1.00 0.00 N ATOM 0 H LYS A 117 -7.351 9.906 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.081 11.149 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.742 12.458 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.946 13.247 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.088 11.490 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.981 13.213 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.090 13.600 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.344 11.880 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.520 12.845 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.358 12.082 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.281 14.439 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.074 14.123 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.683 14.942 -7.226 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.759 10.296 -6.291 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.321 10.120 -6.120 1.00 0.00 C ATOM 1831 C LYS A 118 -2.625 11.466 -5.948 1.00 0.00 C ATOM 1832 O LYS A 118 -1.617 11.741 -6.598 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.731 9.378 -7.321 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.493 8.118 -7.692 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.782 7.338 -8.786 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.788 6.344 -8.207 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.415 5.018 -7.949 1.00 0.00 N ATOM 0 H LYS A 118 -5.328 9.831 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.157 9.529 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.715 10.049 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.696 9.115 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.607 7.488 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.496 8.383 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.517 6.808 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.262 8.030 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.953 6.223 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.379 6.739 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.672 4.302 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.000 5.072 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.012 4.753 -8.759 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.170 12.300 -5.068 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.600 13.618 -4.811 1.00 0.00 C ATOM 1853 C ARG A 119 -1.137 13.505 -4.393 1.00 0.00 C ATOM 1854 O ARG A 119 -0.235 13.849 -5.158 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.398 14.338 -3.723 1.00 0.00 C ATOM 1856 CG ARG A 119 -2.882 15.733 -3.412 1.00 0.00 C ATOM 1857 CD ARG A 119 -3.887 16.530 -2.594 1.00 0.00 C ATOM 1858 NE ARG A 119 -3.540 17.947 -2.531 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.380 18.892 -2.122 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -5.609 18.571 -1.742 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.991 20.160 -2.093 1.00 0.00 N ATOM 0 H ARG A 119 -4.004 12.087 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.653 14.196 -5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.440 14.406 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.376 13.740 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.942 15.661 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.670 16.259 -4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.879 16.419 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.936 16.123 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.602 18.227 -2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.911 17.597 -1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.252 19.298 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.046 20.410 -2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.637 20.884 -1.779 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.910 13.023 -3.177 1.00 0.00 N ATOM 1876 CA TRP A 120 0.444 12.866 -2.658 1.00 0.00 C ATOM 1877 C TRP A 120 1.051 11.543 -3.110 1.00 0.00 C ATOM 1878 O TRP A 120 1.606 10.796 -2.304 1.00 0.00 O ATOM 1879 CB TRP A 120 0.439 12.943 -1.130 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.525 13.956 -0.590 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.290 15.286 -0.390 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.876 13.719 -0.179 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.413 15.891 0.121 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.400 14.951 0.259 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.694 12.587 -0.139 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.704 15.079 0.730 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -3.988 12.716 0.329 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.483 13.954 0.758 1.00 0.00 C ATOM 0 H TRP A 120 -1.645 12.734 -2.532 1.00 0.00 H new ATOM 0 HA TRP A 120 1.054 13.678 -3.054 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.190 11.962 -0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.443 13.186 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.642 15.789 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.498 16.879 0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.322 11.628 -0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.087 16.033 1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.629 11.847 0.365 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.499 14.022 1.118 1.00 0.00 H new ATOM 1899 N TYR A 121 0.941 11.258 -4.403 1.00 0.00 N ATOM 1900 CA TYR A 121 1.478 10.023 -4.962 1.00 0.00 C ATOM 1901 C TYR A 121 2.889 10.236 -5.500 1.00 0.00 C ATOM 1902 O TYR A 121 3.122 11.108 -6.337 1.00 0.00 O ATOM 1903 CB TYR A 121 0.567 9.505 -6.077 1.00 0.00 C ATOM 1904 CG TYR A 121 1.188 8.400 -6.901 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.679 7.249 -6.299 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.282 8.507 -8.284 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.247 6.237 -7.048 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.847 7.500 -9.041 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.329 6.367 -8.419 1.00 0.00 C ATOM 1910 OH TYR A 121 2.893 5.361 -9.169 1.00 0.00 O ATOM 0 H TYR A 121 0.485 11.866 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 121 1.522 9.282 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.361 9.141 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.304 10.334 -6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.616 7.143 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.907 9.393 -8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.625 5.349 -6.563 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.911 7.599 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 121 2.872 5.609 -10.117 1.00 0.00 H new ATOM 1920 N VAL A 122 3.829 9.432 -5.013 1.00 0.00 N ATOM 1921 CA VAL A 122 5.218 9.529 -5.446 1.00 0.00 C ATOM 1922 C VAL A 122 5.922 8.181 -5.343 1.00 0.00 C ATOM 1923 O VAL A 122 6.271 7.716 -4.258 1.00 0.00 O ATOM 1924 CB VAL A 122 5.994 10.566 -4.611 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.451 10.617 -5.044 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.346 11.937 -4.729 1.00 0.00 C ATOM 0 H VAL A 122 3.654 8.706 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 122 5.203 9.849 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 122 5.961 10.263 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.983 11.355 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.907 9.637 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.508 10.896 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.907 12.657 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.347 12.251 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.320 11.887 -4.366 1.00 0.00 H new ATOM 1936 N PRO A 123 6.136 7.536 -6.499 1.00 0.00 N ATOM 1937 CA PRO A 123 6.801 6.231 -6.566 1.00 0.00 C ATOM 1938 C PRO A 123 8.285 6.319 -6.227 1.00 0.00 C ATOM 1939 O PRO A 123 8.926 7.356 -6.400 1.00 0.00 O ATOM 1940 CB PRO A 123 6.611 5.811 -8.026 1.00 0.00 C ATOM 1941 CG PRO A 123 6.448 7.090 -8.771 1.00 0.00 C ATOM 1942 CD PRO A 123 5.746 8.031 -7.830 1.00 0.00 C ATOM 0 HA PRO A 123 6.386 5.525 -5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.470 5.247 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.737 5.171 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.415 7.491 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.866 6.941 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.062 9.063 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.665 8.005 -7.968 1.00 0.00 H new ATOM 1950 N PRO A 124 8.847 5.206 -5.732 1.00 0.00 N ATOM 1951 CA PRO A 124 10.262 5.132 -5.359 1.00 0.00 C ATOM 1952 C PRO A 124 11.185 5.176 -6.572 1.00 0.00 C ATOM 1953 O PRO A 124 12.179 5.901 -6.582 1.00 0.00 O ATOM 1954 CB PRO A 124 10.373 3.779 -4.652 1.00 0.00 C ATOM 1955 CG PRO A 124 9.258 2.966 -5.213 1.00 0.00 C ATOM 1956 CD PRO A 124 8.143 3.934 -5.499 1.00 0.00 C ATOM 0 HA PRO A 124 10.565 5.977 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.339 3.311 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.279 3.888 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.570 2.450 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.939 2.201 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.561 3.631 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.449 4.006 -4.662 1.00 0.00 H new ATOM 1964 N GLU A 125 10.848 4.395 -7.594 1.00 0.00 N ATOM 1965 CA GLU A 125 11.648 4.345 -8.813 1.00 0.00 C ATOM 1966 C GLU A 125 12.239 5.715 -9.132 1.00 0.00 C ATOM 1967 O GLU A 125 13.369 5.819 -9.608 1.00 0.00 O ATOM 1968 CB GLU A 125 10.797 3.858 -9.988 1.00 0.00 C ATOM 1969 CG GLU A 125 9.665 4.804 -10.352 1.00 0.00 C ATOM 1970 CD GLU A 125 8.555 4.115 -11.123 1.00 0.00 C ATOM 1971 OE1 GLU A 125 7.953 3.167 -10.577 1.00 0.00 O ATOM 1972 OE2 GLU A 125 8.289 4.525 -12.272 1.00 0.00 O ATOM 0 H GLU A 125 10.028 3.789 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 125 12.467 3.644 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.439 3.721 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.379 2.882 -9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.254 5.240 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.061 5.626 -10.948 1.00 0.00 H new ATOM 1979 N GLN A 126 11.466 6.763 -8.865 1.00 0.00 N ATOM 1980 CA GLN A 126 11.913 8.127 -9.125 1.00 0.00 C ATOM 1981 C GLN A 126 12.443 8.778 -7.852 1.00 0.00 C ATOM 1982 O GLN A 126 13.564 9.284 -7.823 1.00 0.00 O ATOM 1983 CB GLN A 126 10.766 8.961 -9.699 1.00 0.00 C ATOM 1984 CG GLN A 126 11.217 10.282 -10.301 1.00 0.00 C ATOM 1985 CD GLN A 126 10.100 11.002 -11.031 1.00 0.00 C ATOM 1986 OE1 GLN A 126 8.924 10.843 -10.702 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.463 11.800 -12.028 1.00 0.00 N ATOM 0 H GLN A 126 10.528 6.694 -8.469 1.00 0.00 H new ATOM 0 HA GLN A 126 12.722 8.085 -9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.252 8.379 -10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.041 9.160 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.602 10.925 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.040 10.100 -10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 126 11.450 11.902 -12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 126 9.755 12.311 -12.556 1.00 0.00 H new ATOM 1996 N ALA A 127 11.629 8.762 -6.802 1.00 0.00 N ATOM 1997 CA ALA A 127 12.016 9.349 -5.525 1.00 0.00 C ATOM 1998 C ALA A 127 13.459 8.999 -5.176 1.00 0.00 C ATOM 1999 O ALA A 127 14.265 9.877 -4.869 1.00 0.00 O ATOM 2000 CB ALA A 127 11.076 8.884 -4.423 1.00 0.00 C ATOM 0 H ALA A 127 10.697 8.349 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 127 11.944 10.433 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.377 9.330 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.057 9.190 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.119 7.798 -4.342 1.00 0.00 H new ATOM 2006 N LYS A 128 13.778 7.710 -5.223 1.00 0.00 N ATOM 2007 CA LYS A 128 15.124 7.243 -4.912 1.00 0.00 C ATOM 2008 C LYS A 128 15.619 6.266 -5.973 1.00 0.00 C ATOM 2009 O LYS A 128 14.861 5.847 -6.848 1.00 0.00 O ATOM 2010 CB LYS A 128 15.148 6.573 -3.536 1.00 0.00 C ATOM 2011 CG LYS A 128 14.991 7.548 -2.382 1.00 0.00 C ATOM 2012 CD LYS A 128 16.331 8.120 -1.950 1.00 0.00 C ATOM 2013 CE LYS A 128 16.705 9.345 -2.770 1.00 0.00 C ATOM 2014 NZ LYS A 128 17.680 10.214 -2.056 1.00 0.00 N ATOM 0 H LYS A 128 13.122 6.970 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 128 15.788 8.107 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.349 5.834 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.088 6.034 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.326 8.360 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.521 7.042 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.290 8.386 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.104 7.359 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.130 9.028 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.806 9.918 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.909 11.038 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.265 10.537 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.548 9.675 -1.862 1.00 0.00 H new ATOM 2028 N SER A 129 16.896 5.906 -5.889 1.00 0.00 N ATOM 2029 CA SER A 129 17.493 4.980 -6.844 1.00 0.00 C ATOM 2030 C SER A 129 17.773 3.630 -6.190 1.00 0.00 C ATOM 2031 O SER A 129 18.563 3.533 -5.253 1.00 0.00 O ATOM 2032 CB SER A 129 18.790 5.563 -7.410 1.00 0.00 C ATOM 2033 OG SER A 129 18.524 6.453 -8.480 1.00 0.00 O ATOM 0 H SER A 129 17.537 6.241 -5.170 1.00 0.00 H new ATOM 0 HA SER A 129 16.784 4.830 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 129 19.331 6.087 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.435 4.755 -7.756 1.00 0.00 H new ATOM 0 HG SER A 129 19.368 6.813 -8.823 1.00 0.00 H new ATOM 2039 N GLY A 130 17.116 2.589 -6.693 1.00 0.00 N ATOM 2040 CA GLY A 130 17.306 1.258 -6.146 1.00 0.00 C ATOM 2041 C GLY A 130 16.087 0.376 -6.332 1.00 0.00 C ATOM 2042 O GLY A 130 15.413 0.001 -5.372 1.00 0.00 O ATOM 0 H GLY A 130 16.456 2.644 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 130 18.166 0.790 -6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 130 17.537 1.335 -5.083 1.00 0.00 H new ATOM 2046 N PRO A 131 15.788 0.031 -7.593 1.00 0.00 N ATOM 2047 CA PRO A 131 14.640 -0.816 -7.931 1.00 0.00 C ATOM 2048 C PRO A 131 14.831 -2.259 -7.478 1.00 0.00 C ATOM 2049 O PRO A 131 13.872 -3.026 -7.395 1.00 0.00 O ATOM 2050 CB PRO A 131 14.579 -0.739 -9.458 1.00 0.00 C ATOM 2051 CG PRO A 131 15.973 -0.421 -9.877 1.00 0.00 C ATOM 2052 CD PRO A 131 16.547 0.440 -8.786 1.00 0.00 C ATOM 0 HA PRO A 131 13.728 -0.481 -7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 131 14.241 -1.682 -9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 131 13.881 0.030 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 131 16.559 -1.331 -10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 131 15.983 0.102 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 131 17.616 0.269 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 131 16.417 1.501 -9.001 1.00 0.00 H new ATOM 2060 N SER A 132 16.076 -2.623 -7.185 1.00 0.00 N ATOM 2061 CA SER A 132 16.393 -3.976 -6.743 1.00 0.00 C ATOM 2062 C SER A 132 15.639 -5.010 -7.575 1.00 0.00 C ATOM 2063 O SER A 132 15.109 -5.984 -7.042 1.00 0.00 O ATOM 2064 CB SER A 132 16.047 -4.146 -5.262 1.00 0.00 C ATOM 2065 OG SER A 132 14.654 -4.006 -5.045 1.00 0.00 O ATOM 0 H SER A 132 16.881 -2.000 -7.246 1.00 0.00 H new ATOM 0 HA SER A 132 17.463 -4.135 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 132 16.375 -5.127 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 132 16.587 -3.405 -4.672 1.00 0.00 H new ATOM 0 HG SER A 132 14.190 -3.973 -5.908 1.00 0.00 H new ATOM 2071 N SER A 133 15.597 -4.789 -8.885 1.00 0.00 N ATOM 2072 CA SER A 133 14.905 -5.698 -9.791 1.00 0.00 C ATOM 2073 C SER A 133 15.894 -6.392 -10.723 1.00 0.00 C ATOM 2074 O SER A 133 16.561 -5.747 -11.530 1.00 0.00 O ATOM 2075 CB SER A 133 13.861 -4.938 -10.612 1.00 0.00 C ATOM 2076 OG SER A 133 12.984 -4.209 -9.771 1.00 0.00 O ATOM 0 H SER A 133 16.034 -3.989 -9.342 1.00 0.00 H new ATOM 0 HA SER A 133 14.403 -6.457 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 133 14.361 -4.256 -11.300 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.289 -5.640 -11.218 1.00 0.00 H new ATOM 0 HG SER A 133 13.482 -3.863 -9.001 1.00 0.00 H new ATOM 2082 N GLY A 134 15.982 -7.714 -10.603 1.00 0.00 N ATOM 2083 CA GLY A 134 16.891 -8.475 -11.440 1.00 0.00 C ATOM 2084 C GLY A 134 16.373 -9.867 -11.742 1.00 0.00 C ATOM 2085 O GLY A 134 16.326 -10.698 -10.836 1.00 0.00 O ATOM 0 H GLY A 134 15.440 -8.271 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 134 17.053 -7.940 -12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 134 17.859 -8.550 -10.945 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.329 0.297 8.548 1.00 0.00 ZN