USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 762 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 61 GLN : amide:sc= 0 K(o=-0.18,f=-0.82) USER MOD Set 1.2: A 111 LYS NZ :NH3+ -171:sc= -0.175 (180deg=-0.314) USER MOD Set 2.1: A 103 TYR OH : rot 178:sc= 0.519 USER MOD Set 2.2: A 124 SER OG : rot 120:sc= 0.515 USER MOD Set 3.1: A 93 THR OG1 : rot 180:sc= 0.312 USER MOD Set 3.2: A 106 GLN : amide:sc= -2.07! K(o=-1.8!,f=-0.44) USER MOD Single : A 48 SER OG : rot 25:sc= 0.0909 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.00766) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -0.0235 (180deg=-0.192) USER MOD Single : A 54 MET CE :methyl -161:sc= -0.137 (180deg=-0.7) USER MOD Single : A 55 CYS SG : rot 33:sc= 0.2 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 1.18 (180deg=0.683) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.00587 (180deg=-0.142) USER MOD Single : A 64 ASN : amide:sc= -2.26! C(o=-2.3!,f=-6.7!) USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.0801 USER MOD Single : A 68 MET CE :methyl -154:sc= -0.225 (180deg=-0.963) USER MOD Single : A 70 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.66) USER MOD Single : A 74 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.21) USER MOD Single : A 78 TYR OH : rot -159:sc= -1.44 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 83 GLN : amide:sc= -0.955 K(o=-0.96,f=-1.8) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.62) USER MOD Single : A 95 SER OG : rot 180:sc= -0.111 USER MOD Single : A 101 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.12) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.13) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 73:sc= 0.919 USER MOD Single : A 127 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.8!) USER MOD Single : A 129 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.233) USER MOD Single : A 135 SER OG : rot 70:sc= -1.93! USER MOD Single : A 138 LYS NZ :NH3+ -172:sc=-0.00453 (180deg=-0.0757) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 -22.675 -20.141 7.997 1.00 44.42 N ATOM 2 CA SER A 48 -21.213 -20.299 8.146 1.00 33.14 C ATOM 3 C SER A 48 -20.486 -19.228 7.345 1.00 34.14 C ATOM 4 O SER A 48 -20.945 -18.816 6.278 1.00 42.13 O ATOM 5 CB SER A 48 -20.790 -21.694 7.675 1.00 54.41 C ATOM 6 OG SER A 48 -21.484 -22.704 8.392 1.00 5.03 O ATOM 0 HA SER A 48 -20.948 -20.186 9.197 1.00 33.14 H new ATOM 0 HB2 SER A 48 -20.989 -21.798 6.608 1.00 54.41 H new ATOM 0 HB3 SER A 48 -19.716 -21.818 7.812 1.00 54.41 H new ATOM 0 HG SER A 48 -22.333 -22.345 8.724 1.00 5.03 H new ATOM 12 N ASP A 49 -19.356 -18.771 7.863 1.00 52.22 N ATOM 13 CA ASP A 49 -18.606 -17.700 7.225 1.00 53.12 C ATOM 14 C ASP A 49 -17.157 -18.113 7.005 1.00 60.13 C ATOM 15 O ASP A 49 -16.394 -18.262 7.963 1.00 32.33 O ATOM 16 CB ASP A 49 -18.665 -16.433 8.077 1.00 13.54 C ATOM 17 CG ASP A 49 -17.945 -15.264 7.435 1.00 12.25 C ATOM 18 OD1 ASP A 49 -16.719 -15.128 7.637 1.00 32.21 O ATOM 19 OD2 ASP A 49 -18.602 -14.462 6.739 1.00 60.01 O ATOM 0 H ASP A 49 -18.938 -19.125 8.724 1.00 52.22 H new ATOM 0 HA ASP A 49 -19.059 -17.497 6.255 1.00 53.12 H new ATOM 0 HB2 ASP A 49 -19.707 -16.163 8.248 1.00 13.54 H new ATOM 0 HB3 ASP A 49 -18.224 -16.635 9.053 1.00 13.54 H new ATOM 24 N PRO A 50 -16.767 -18.323 5.741 1.00 61.45 N ATOM 25 CA PRO A 50 -15.398 -18.674 5.374 1.00 40.11 C ATOM 26 C PRO A 50 -14.479 -17.458 5.404 1.00 4.13 C ATOM 27 O PRO A 50 -14.562 -16.577 4.543 1.00 52.44 O ATOM 28 CB PRO A 50 -15.523 -19.219 3.941 1.00 15.32 C ATOM 29 CG PRO A 50 -16.986 -19.230 3.629 1.00 73.42 C ATOM 30 CD PRO A 50 -17.626 -18.242 4.559 1.00 32.24 C ATOM 0 HA PRO A 50 -14.961 -19.392 6.068 1.00 40.11 H new ATOM 0 HB2 PRO A 50 -14.979 -18.591 3.236 1.00 15.32 H new ATOM 0 HB3 PRO A 50 -15.101 -20.221 3.867 1.00 15.32 H new ATOM 0 HG2 PRO A 50 -17.163 -18.955 2.589 1.00 73.42 H new ATOM 0 HG3 PRO A 50 -17.406 -20.226 3.772 1.00 73.42 H new ATOM 0 HD2 PRO A 50 -17.642 -17.237 4.136 1.00 32.24 H new ATOM 0 HD3 PRO A 50 -18.658 -18.508 4.787 1.00 32.24 H new ATOM 38 N LYS A 51 -13.614 -17.402 6.402 1.00 14.44 N ATOM 39 CA LYS A 51 -12.711 -16.274 6.565 1.00 71.22 C ATOM 40 C LYS A 51 -11.270 -16.744 6.677 1.00 30.13 C ATOM 41 O LYS A 51 -11.005 -17.925 6.917 1.00 0.45 O ATOM 42 CB LYS A 51 -13.092 -15.449 7.800 1.00 73.32 C ATOM 43 CG LYS A 51 -13.250 -16.275 9.070 1.00 40.11 C ATOM 44 CD LYS A 51 -13.366 -15.394 10.307 1.00 73.33 C ATOM 45 CE LYS A 51 -14.556 -14.443 10.229 1.00 12.35 C ATOM 46 NZ LYS A 51 -15.854 -15.163 10.126 1.00 30.23 N ATOM 0 H LYS A 51 -13.517 -18.126 7.114 1.00 14.44 H new ATOM 0 HA LYS A 51 -12.802 -15.643 5.681 1.00 71.22 H new ATOM 0 HB2 LYS A 51 -12.329 -14.688 7.966 1.00 73.32 H new ATOM 0 HB3 LYS A 51 -14.027 -14.925 7.600 1.00 73.32 H new ATOM 0 HG2 LYS A 51 -14.137 -16.903 8.987 1.00 40.11 H new ATOM 0 HG3 LYS A 51 -12.395 -16.943 9.178 1.00 40.11 H new ATOM 0 HD2 LYS A 51 -13.464 -16.024 11.191 1.00 73.33 H new ATOM 0 HD3 LYS A 51 -12.449 -14.817 10.427 1.00 73.33 H new ATOM 0 HE2 LYS A 51 -14.567 -13.806 11.113 1.00 12.35 H new ATOM 0 HE3 LYS A 51 -14.438 -13.788 9.366 1.00 12.35 H new ATOM 0 HZ1 LYS A 51 -16.621 -14.545 10.460 1.00 30.23 H new ATOM 0 HZ2 LYS A 51 -16.028 -15.426 9.135 1.00 30.23 H new ATOM 0 HZ3 LYS A 51 -15.822 -16.022 10.711 1.00 30.23 H new ATOM 60 N LYS A 52 -10.346 -15.813 6.496 1.00 72.44 N ATOM 61 CA LYS A 52 -8.928 -16.107 6.616 1.00 51.21 C ATOM 62 C LYS A 52 -8.532 -16.079 8.087 1.00 24.23 C ATOM 63 O LYS A 52 -9.084 -15.300 8.865 1.00 2.24 O ATOM 64 CB LYS A 52 -8.094 -15.077 5.841 1.00 52.54 C ATOM 65 CG LYS A 52 -8.614 -14.783 4.442 1.00 10.12 C ATOM 66 CD LYS A 52 -8.603 -16.018 3.558 1.00 31.33 C ATOM 67 CE LYS A 52 -9.255 -15.744 2.211 1.00 3.41 C ATOM 68 NZ LYS A 52 -9.341 -16.969 1.372 1.00 13.32 N ATOM 0 H LYS A 52 -10.556 -14.842 6.264 1.00 72.44 H new ATOM 0 HA LYS A 52 -8.737 -17.095 6.197 1.00 51.21 H new ATOM 0 HB2 LYS A 52 -8.065 -14.147 6.409 1.00 52.54 H new ATOM 0 HB3 LYS A 52 -7.068 -15.438 5.767 1.00 52.54 H new ATOM 0 HG2 LYS A 52 -9.630 -14.394 4.508 1.00 10.12 H new ATOM 0 HG3 LYS A 52 -8.003 -14.005 3.985 1.00 10.12 H new ATOM 0 HD2 LYS A 52 -7.576 -16.349 3.406 1.00 31.33 H new ATOM 0 HD3 LYS A 52 -9.129 -16.831 4.059 1.00 31.33 H new ATOM 0 HE2 LYS A 52 -10.256 -15.342 2.368 1.00 3.41 H new ATOM 0 HE3 LYS A 52 -8.685 -14.981 1.681 1.00 3.41 H new ATOM 0 HZ1 LYS A 52 -9.791 -16.737 0.464 1.00 13.32 H new ATOM 0 HZ2 LYS A 52 -8.385 -17.339 1.199 1.00 13.32 H new ATOM 0 HZ3 LYS A 52 -9.907 -17.689 1.865 1.00 13.32 H new ATOM 82 N LYS A 53 -7.597 -16.930 8.473 1.00 72.43 N ATOM 83 CA LYS A 53 -7.111 -16.940 9.842 1.00 10.32 C ATOM 84 C LYS A 53 -6.046 -15.874 10.020 1.00 2.45 C ATOM 85 O LYS A 53 -5.028 -15.877 9.324 1.00 51.23 O ATOM 86 CB LYS A 53 -6.552 -18.313 10.213 1.00 13.43 C ATOM 87 CG LYS A 53 -7.600 -19.414 10.234 1.00 65.54 C ATOM 88 CD LYS A 53 -6.984 -20.763 10.568 1.00 74.30 C ATOM 89 CE LYS A 53 -5.982 -21.193 9.511 1.00 33.11 C ATOM 90 NZ LYS A 53 -6.618 -21.377 8.180 1.00 21.44 N ATOM 0 H LYS A 53 -7.161 -17.620 7.861 1.00 72.43 H new ATOM 0 HA LYS A 53 -7.948 -16.724 10.506 1.00 10.32 H new ATOM 0 HB2 LYS A 53 -5.770 -18.581 9.502 1.00 13.43 H new ATOM 0 HB3 LYS A 53 -6.083 -18.251 11.195 1.00 13.43 H new ATOM 0 HG2 LYS A 53 -8.369 -19.172 10.968 1.00 65.54 H new ATOM 0 HG3 LYS A 53 -8.092 -19.468 9.263 1.00 65.54 H new ATOM 0 HD2 LYS A 53 -6.490 -20.709 11.538 1.00 74.30 H new ATOM 0 HD3 LYS A 53 -7.771 -21.513 10.652 1.00 74.30 H new ATOM 0 HE2 LYS A 53 -5.193 -20.445 9.435 1.00 33.11 H new ATOM 0 HE3 LYS A 53 -5.509 -22.126 9.818 1.00 33.11 H new ATOM 0 HZ1 LYS A 53 -5.954 -21.860 7.542 1.00 21.44 H new ATOM 0 HZ2 LYS A 53 -7.479 -21.951 8.283 1.00 21.44 H new ATOM 0 HZ3 LYS A 53 -6.866 -20.449 7.783 1.00 21.44 H new ATOM 104 N MET A 54 -6.285 -14.961 10.948 1.00 54.31 N ATOM 105 CA MET A 54 -5.366 -13.861 11.182 1.00 55.24 C ATOM 106 C MET A 54 -4.080 -14.363 11.822 1.00 51.21 C ATOM 107 O MET A 54 -4.077 -14.816 12.969 1.00 63.12 O ATOM 108 CB MET A 54 -6.007 -12.789 12.069 1.00 33.45 C ATOM 109 CG MET A 54 -5.090 -11.603 12.342 1.00 71.14 C ATOM 110 SD MET A 54 -5.854 -10.351 13.392 1.00 13.41 S ATOM 111 CE MET A 54 -7.254 -9.869 12.383 1.00 62.24 C ATOM 0 H MET A 54 -7.108 -14.961 11.551 1.00 54.31 H new ATOM 0 HA MET A 54 -5.129 -13.415 10.216 1.00 55.24 H new ATOM 0 HB2 MET A 54 -6.920 -12.431 11.592 1.00 33.45 H new ATOM 0 HB3 MET A 54 -6.299 -13.239 13.018 1.00 33.45 H new ATOM 0 HG2 MET A 54 -4.176 -11.959 12.817 1.00 71.14 H new ATOM 0 HG3 MET A 54 -4.801 -11.148 11.395 1.00 71.14 H new ATOM 0 HE1 MET A 54 -7.624 -8.899 12.714 1.00 62.24 H new ATOM 0 HE2 MET A 54 -6.945 -9.803 11.340 1.00 62.24 H new ATOM 0 HE3 MET A 54 -8.046 -10.612 12.481 1.00 62.24 H new ATOM 121 N CYS A 55 -2.997 -14.296 11.068 1.00 13.24 N ATOM 122 CA CYS A 55 -1.692 -14.679 11.572 1.00 1.15 C ATOM 123 C CYS A 55 -1.022 -13.474 12.219 1.00 71.12 C ATOM 124 O CYS A 55 -0.788 -12.455 11.563 1.00 72.14 O ATOM 125 CB CYS A 55 -0.831 -15.227 10.431 1.00 44.30 C ATOM 126 SG CYS A 55 -1.637 -16.537 9.477 1.00 14.41 S ATOM 0 H CYS A 55 -2.997 -13.978 10.099 1.00 13.24 H new ATOM 0 HA CYS A 55 -1.807 -15.462 12.322 1.00 1.15 H new ATOM 0 HB2 CYS A 55 -0.569 -14.409 9.760 1.00 44.30 H new ATOM 0 HB3 CYS A 55 0.102 -15.611 10.844 1.00 44.30 H new ATOM 0 HG CYS A 55 -2.917 -16.315 9.430 1.00 14.41 H new ATOM 132 N LYS A 56 -0.743 -13.579 13.510 1.00 73.04 N ATOM 133 CA LYS A 56 -0.125 -12.485 14.244 1.00 65.22 C ATOM 134 C LYS A 56 1.372 -12.451 13.978 1.00 64.41 C ATOM 135 O LYS A 56 2.144 -13.200 14.580 1.00 13.11 O ATOM 136 CB LYS A 56 -0.402 -12.617 15.747 1.00 14.31 C ATOM 137 CG LYS A 56 0.240 -11.524 16.593 1.00 62.20 C ATOM 138 CD LYS A 56 -0.179 -10.137 16.135 1.00 53.21 C ATOM 139 CE LYS A 56 0.541 -9.047 16.915 1.00 34.10 C ATOM 140 NZ LYS A 56 2.022 -9.140 16.776 1.00 73.52 N ATOM 0 H LYS A 56 -0.935 -14.410 14.070 1.00 73.04 H new ATOM 0 HA LYS A 56 -0.561 -11.548 13.899 1.00 65.22 H new ATOM 0 HB2 LYS A 56 -1.480 -12.603 15.910 1.00 14.31 H new ATOM 0 HB3 LYS A 56 -0.040 -13.587 16.089 1.00 14.31 H new ATOM 0 HG2 LYS A 56 -0.039 -11.662 17.638 1.00 62.20 H new ATOM 0 HG3 LYS A 56 1.325 -11.612 16.539 1.00 62.20 H new ATOM 0 HD2 LYS A 56 0.034 -10.025 15.072 1.00 53.21 H new ATOM 0 HD3 LYS A 56 -1.256 -10.022 16.259 1.00 53.21 H new ATOM 0 HE2 LYS A 56 0.206 -8.071 16.565 1.00 34.10 H new ATOM 0 HE3 LYS A 56 0.271 -9.118 17.969 1.00 34.10 H new ATOM 0 HZ1 LYS A 56 2.445 -8.204 16.938 1.00 73.52 H new ATOM 0 HZ2 LYS A 56 2.395 -9.814 17.475 1.00 73.52 H new ATOM 0 HZ3 LYS A 56 2.261 -9.467 15.818 1.00 73.52 H new ATOM 154 N GLU A 57 1.773 -11.596 13.056 1.00 4.13 N ATOM 155 CA GLU A 57 3.174 -11.455 12.710 1.00 15.03 C ATOM 156 C GLU A 57 3.871 -10.576 13.739 1.00 72.04 C ATOM 157 O GLU A 57 3.241 -9.711 14.356 1.00 22.32 O ATOM 158 CB GLU A 57 3.308 -10.856 11.307 1.00 32.20 C ATOM 159 CG GLU A 57 4.730 -10.844 10.774 1.00 45.04 C ATOM 160 CD GLU A 57 5.364 -12.220 10.792 1.00 52.34 C ATOM 161 OE1 GLU A 57 4.993 -13.061 9.948 1.00 45.12 O ATOM 162 OE2 GLU A 57 6.242 -12.462 11.648 1.00 65.31 O ATOM 0 H GLU A 57 1.145 -10.987 12.532 1.00 4.13 H new ATOM 0 HA GLU A 57 3.648 -12.437 12.712 1.00 15.03 H new ATOM 0 HB2 GLU A 57 2.678 -11.421 10.620 1.00 32.20 H new ATOM 0 HB3 GLU A 57 2.928 -9.835 11.321 1.00 32.20 H new ATOM 0 HG2 GLU A 57 4.730 -10.460 9.754 1.00 45.04 H new ATOM 0 HG3 GLU A 57 5.334 -10.161 11.371 1.00 45.04 H new ATOM 169 N ARG A 58 5.158 -10.811 13.940 1.00 74.52 N ATOM 170 CA ARG A 58 5.935 -10.022 14.882 1.00 71.23 C ATOM 171 C ARG A 58 6.103 -8.602 14.357 1.00 25.13 C ATOM 172 O ARG A 58 6.456 -8.395 13.193 1.00 31.41 O ATOM 173 CB ARG A 58 7.305 -10.661 15.120 1.00 64.04 C ATOM 174 CG ARG A 58 8.124 -10.847 13.853 1.00 61.54 C ATOM 175 CD ARG A 58 9.537 -11.301 14.165 1.00 22.24 C ATOM 176 NE ARG A 58 10.334 -11.481 12.953 1.00 51.04 N ATOM 177 CZ ARG A 58 11.509 -10.892 12.734 1.00 13.11 C ATOM 178 NH1 ARG A 58 12.025 -10.068 13.641 1.00 25.41 N ATOM 179 NH2 ARG A 58 12.171 -11.135 11.609 1.00 43.04 N ATOM 0 H ARG A 58 5.686 -11.542 13.463 1.00 74.52 H new ATOM 0 HA ARG A 58 5.401 -9.990 15.832 1.00 71.23 H new ATOM 0 HB2 ARG A 58 7.868 -10.041 15.818 1.00 64.04 H new ATOM 0 HB3 ARG A 58 7.165 -11.631 15.597 1.00 64.04 H new ATOM 0 HG2 ARG A 58 7.639 -11.581 13.210 1.00 61.54 H new ATOM 0 HG3 ARG A 58 8.156 -9.909 13.299 1.00 61.54 H new ATOM 0 HD2 ARG A 58 10.019 -10.567 14.811 1.00 22.24 H new ATOM 0 HD3 ARG A 58 9.502 -12.239 14.719 1.00 22.24 H new ATOM 0 HE ARG A 58 9.967 -12.097 12.228 1.00 51.04 H new ATOM 0 HH11 ARG A 58 11.521 -9.885 14.509 1.00 25.41 H new ATOM 0 HH12 ARG A 58 12.925 -9.619 13.469 1.00 25.41 H new ATOM 0 HH21 ARG A 58 11.780 -11.771 10.914 1.00 43.04 H new ATOM 0 HH22 ARG A 58 13.071 -10.685 11.439 1.00 43.04 H new ATOM 193 N ILE A 59 5.831 -7.620 15.201 1.00 43.14 N ATOM 194 CA ILE A 59 5.942 -6.231 14.793 1.00 43.24 C ATOM 195 C ILE A 59 6.951 -5.482 15.659 1.00 4.33 C ATOM 196 O ILE A 59 6.593 -4.903 16.685 1.00 64.34 O ATOM 197 CB ILE A 59 4.577 -5.507 14.846 1.00 21.10 C ATOM 198 CG1 ILE A 59 3.541 -6.273 14.020 1.00 5.34 C ATOM 199 CG2 ILE A 59 4.708 -4.081 14.332 1.00 22.05 C ATOM 200 CD1 ILE A 59 2.154 -5.664 14.057 1.00 40.34 C ATOM 0 H ILE A 59 5.534 -7.758 16.167 1.00 43.14 H new ATOM 0 HA ILE A 59 6.291 -6.234 13.760 1.00 43.24 H new ATOM 0 HB ILE A 59 4.245 -5.471 15.883 1.00 21.10 H new ATOM 0 HG12 ILE A 59 3.879 -6.320 12.985 1.00 5.34 H new ATOM 0 HG13 ILE A 59 3.487 -7.299 14.384 1.00 5.34 H new ATOM 0 HG21 ILE A 59 3.737 -3.587 14.377 1.00 22.05 H new ATOM 0 HG22 ILE A 59 5.421 -3.536 14.950 1.00 22.05 H new ATOM 0 HG23 ILE A 59 5.059 -4.097 13.300 1.00 22.05 H new ATOM 0 HD11 ILE A 59 1.477 -6.263 13.448 1.00 40.34 H new ATOM 0 HD12 ILE A 59 1.794 -5.642 15.085 1.00 40.34 H new ATOM 0 HD13 ILE A 59 2.192 -4.648 13.664 1.00 40.34 H new ATOM 212 N PRO A 60 8.239 -5.535 15.286 1.00 11.33 N ATOM 213 CA PRO A 60 9.283 -4.721 15.904 1.00 4.24 C ATOM 214 C PRO A 60 9.288 -3.318 15.308 1.00 71.12 C ATOM 215 O PRO A 60 9.749 -2.356 15.925 1.00 34.05 O ATOM 216 CB PRO A 60 10.586 -5.455 15.550 1.00 45.14 C ATOM 217 CG PRO A 60 10.183 -6.675 14.779 1.00 34.33 C ATOM 218 CD PRO A 60 8.800 -6.417 14.260 1.00 2.21 C ATOM 0 HA PRO A 60 9.143 -4.603 16.978 1.00 4.24 H new ATOM 0 HB2 PRO A 60 11.242 -4.819 14.956 1.00 45.14 H new ATOM 0 HB3 PRO A 60 11.136 -5.728 16.451 1.00 45.14 H new ATOM 0 HG2 PRO A 60 10.876 -6.861 13.959 1.00 34.33 H new ATOM 0 HG3 PRO A 60 10.199 -7.559 15.417 1.00 34.33 H new ATOM 0 HD2 PRO A 60 8.816 -5.941 13.280 1.00 2.21 H new ATOM 0 HD3 PRO A 60 8.226 -7.338 14.158 1.00 2.21 H new ATOM 226 N GLN A 61 8.760 -3.229 14.096 1.00 61.04 N ATOM 227 CA GLN A 61 8.642 -1.975 13.373 1.00 3.34 C ATOM 228 C GLN A 61 7.171 -1.588 13.274 1.00 1.53 C ATOM 229 O GLN A 61 6.466 -2.030 12.361 1.00 3.44 O ATOM 230 CB GLN A 61 9.245 -2.134 11.982 1.00 63.43 C ATOM 231 CG GLN A 61 9.187 -0.885 11.128 1.00 74.24 C ATOM 232 CD GLN A 61 9.705 -1.151 9.737 1.00 42.02 C ATOM 233 OE1 GLN A 61 8.949 -1.512 8.835 1.00 42.33 O ATOM 234 NE2 GLN A 61 11.001 -0.992 9.561 1.00 73.44 N ATOM 0 H GLN A 61 8.399 -4.034 13.584 1.00 61.04 H new ATOM 0 HA GLN A 61 9.180 -1.188 13.902 1.00 3.34 H new ATOM 0 HB2 GLN A 61 10.286 -2.442 12.084 1.00 63.43 H new ATOM 0 HB3 GLN A 61 8.724 -2.939 11.463 1.00 63.43 H new ATOM 0 HG2 GLN A 61 8.159 -0.526 11.074 1.00 74.24 H new ATOM 0 HG3 GLN A 61 9.777 -0.095 11.594 1.00 74.24 H new ATOM 0 HE21 GLN A 61 11.588 -0.691 10.339 1.00 73.44 H new ATOM 0 HE22 GLN A 61 11.417 -1.170 8.647 1.00 73.44 H new ATOM 243 N PRO A 62 6.681 -0.800 14.241 1.00 44.21 N ATOM 244 CA PRO A 62 5.286 -0.411 14.321 1.00 72.44 C ATOM 245 C PRO A 62 5.019 0.948 13.678 1.00 43.31 C ATOM 246 O PRO A 62 5.811 1.424 12.859 1.00 20.44 O ATOM 247 CB PRO A 62 5.067 -0.342 15.832 1.00 33.03 C ATOM 248 CG PRO A 62 6.398 0.040 16.410 1.00 22.01 C ATOM 249 CD PRO A 62 7.447 -0.217 15.349 1.00 45.15 C ATOM 0 HA PRO A 62 4.624 -1.097 13.794 1.00 72.44 H new ATOM 0 HB2 PRO A 62 4.303 0.393 16.085 1.00 33.03 H new ATOM 0 HB3 PRO A 62 4.729 -1.301 16.224 1.00 33.03 H new ATOM 0 HG2 PRO A 62 6.401 1.089 16.705 1.00 22.01 H new ATOM 0 HG3 PRO A 62 6.608 -0.544 17.306 1.00 22.01 H new ATOM 0 HD2 PRO A 62 7.948 0.703 15.049 1.00 45.15 H new ATOM 0 HD3 PRO A 62 8.219 -0.899 15.705 1.00 45.15 H new ATOM 257 N LYS A 63 3.898 1.557 14.064 1.00 31.24 N ATOM 258 CA LYS A 63 3.484 2.853 13.545 1.00 34.54 C ATOM 259 C LYS A 63 3.334 2.784 12.028 1.00 60.50 C ATOM 260 O LYS A 63 4.056 3.445 11.277 1.00 51.15 O ATOM 261 CB LYS A 63 4.484 3.947 13.946 1.00 75.22 C ATOM 262 CG LYS A 63 3.930 5.357 13.816 1.00 14.11 C ATOM 263 CD LYS A 63 2.825 5.612 14.829 1.00 71.42 C ATOM 264 CE LYS A 63 2.184 6.976 14.633 1.00 1.33 C ATOM 265 NZ LYS A 63 1.417 7.055 13.363 1.00 41.53 N ATOM 0 H LYS A 63 3.252 1.161 14.747 1.00 31.24 H new ATOM 0 HA LYS A 63 2.518 3.110 13.979 1.00 34.54 H new ATOM 0 HB2 LYS A 63 4.796 3.782 14.977 1.00 75.22 H new ATOM 0 HB3 LYS A 63 5.376 3.857 13.325 1.00 75.22 H new ATOM 0 HG2 LYS A 63 4.733 6.080 13.960 1.00 14.11 H new ATOM 0 HG3 LYS A 63 3.544 5.507 12.808 1.00 14.11 H new ATOM 0 HD2 LYS A 63 2.064 4.837 14.740 1.00 71.42 H new ATOM 0 HD3 LYS A 63 3.233 5.544 15.837 1.00 71.42 H new ATOM 0 HE2 LYS A 63 1.520 7.188 15.471 1.00 1.33 H new ATOM 0 HE3 LYS A 63 2.958 7.744 14.637 1.00 1.33 H new ATOM 0 HZ1 LYS A 63 0.835 7.917 13.362 1.00 41.53 H new ATOM 0 HZ2 LYS A 63 2.077 7.082 12.560 1.00 41.53 H new ATOM 0 HZ3 LYS A 63 0.801 6.221 13.277 1.00 41.53 H new ATOM 279 N ASN A 64 2.406 1.953 11.587 1.00 24.41 N ATOM 280 CA ASN A 64 2.171 1.756 10.166 1.00 51.34 C ATOM 281 C ASN A 64 0.941 2.514 9.700 1.00 62.13 C ATOM 282 O ASN A 64 -0.042 2.670 10.429 1.00 41.52 O ATOM 283 CB ASN A 64 2.035 0.268 9.828 1.00 13.33 C ATOM 284 CG ASN A 64 0.868 -0.411 10.524 1.00 11.44 C ATOM 285 OD1 ASN A 64 0.465 -0.029 11.622 1.00 33.11 O ATOM 286 ND2 ASN A 64 0.324 -1.435 9.892 1.00 24.45 N ATOM 0 H ASN A 64 1.800 1.401 12.195 1.00 24.41 H new ATOM 0 HA ASN A 64 3.038 2.152 9.637 1.00 51.34 H new ATOM 0 HB2 ASN A 64 1.917 0.158 8.750 1.00 13.33 H new ATOM 0 HB3 ASN A 64 2.958 -0.244 10.102 1.00 13.33 H new ATOM 0 HD21 ASN A 64 -0.457 -1.938 10.313 1.00 24.45 H new ATOM 0 HD22 ASN A 64 0.685 -1.723 8.983 1.00 24.45 H new ATOM 293 N THR A 65 1.018 2.977 8.472 1.00 23.24 N ATOM 294 CA THR A 65 -0.041 3.746 7.854 1.00 10.14 C ATOM 295 C THR A 65 -1.261 2.871 7.587 1.00 42.50 C ATOM 296 O THR A 65 -2.379 3.364 7.440 1.00 21.24 O ATOM 297 CB THR A 65 0.479 4.326 6.539 1.00 41.11 C ATOM 298 OG1 THR A 65 1.012 3.257 5.754 1.00 64.42 O ATOM 299 CG2 THR A 65 1.572 5.347 6.809 1.00 32.45 C ATOM 0 H THR A 65 1.826 2.829 7.867 1.00 23.24 H new ATOM 0 HA THR A 65 -0.342 4.549 8.527 1.00 10.14 H new ATOM 0 HB THR A 65 -0.336 4.820 6.009 1.00 41.11 H new ATOM 0 HG1 THR A 65 1.204 3.580 4.849 1.00 64.42 H new ATOM 0 HG21 THR A 65 1.933 5.752 5.864 1.00 32.45 H new ATOM 0 HG22 THR A 65 1.172 6.155 7.421 1.00 32.45 H new ATOM 0 HG23 THR A 65 2.396 4.867 7.337 1.00 32.45 H new ATOM 307 N VAL A 66 -1.022 1.564 7.533 1.00 73.03 N ATOM 308 CA VAL A 66 -2.080 0.581 7.344 1.00 2.20 C ATOM 309 C VAL A 66 -3.098 0.675 8.477 1.00 72.31 C ATOM 310 O VAL A 66 -4.309 0.657 8.249 1.00 22.21 O ATOM 311 CB VAL A 66 -1.498 -0.848 7.285 1.00 40.11 C ATOM 312 CG1 VAL A 66 -2.587 -1.881 7.028 1.00 72.03 C ATOM 313 CG2 VAL A 66 -0.410 -0.928 6.223 1.00 32.42 C ATOM 0 H VAL A 66 -0.090 1.158 7.619 1.00 73.03 H new ATOM 0 HA VAL A 66 -2.575 0.796 6.397 1.00 2.20 H new ATOM 0 HB VAL A 66 -1.056 -1.076 8.255 1.00 40.11 H new ATOM 0 HG11 VAL A 66 -2.143 -2.876 6.992 1.00 72.03 H new ATOM 0 HG12 VAL A 66 -3.324 -1.841 7.830 1.00 72.03 H new ATOM 0 HG13 VAL A 66 -3.075 -1.667 6.077 1.00 72.03 H new ATOM 0 HG21 VAL A 66 -0.007 -1.940 6.191 1.00 32.42 H new ATOM 0 HG22 VAL A 66 -0.831 -0.674 5.250 1.00 32.42 H new ATOM 0 HG23 VAL A 66 0.389 -0.227 6.467 1.00 32.42 H new ATOM 323 N ALA A 67 -2.598 0.794 9.702 1.00 24.14 N ATOM 324 CA ALA A 67 -3.459 0.975 10.859 1.00 3.41 C ATOM 325 C ALA A 67 -4.171 2.319 10.778 1.00 63.10 C ATOM 326 O ALA A 67 -5.357 2.422 11.081 1.00 14.33 O ATOM 327 CB ALA A 67 -2.653 0.869 12.145 1.00 54.44 C ATOM 0 H ALA A 67 -1.601 0.768 9.917 1.00 24.14 H new ATOM 0 HA ALA A 67 -4.210 0.185 10.863 1.00 3.41 H new ATOM 0 HB1 ALA A 67 -3.314 1.007 13.001 1.00 54.44 H new ATOM 0 HB2 ALA A 67 -2.186 -0.114 12.202 1.00 54.44 H new ATOM 0 HB3 ALA A 67 -1.881 1.638 12.155 1.00 54.44 H new ATOM 333 N MET A 68 -3.433 3.337 10.341 1.00 21.53 N ATOM 334 CA MET A 68 -3.971 4.687 10.176 1.00 25.14 C ATOM 335 C MET A 68 -5.161 4.699 9.219 1.00 32.21 C ATOM 336 O MET A 68 -6.161 5.371 9.465 1.00 54.11 O ATOM 337 CB MET A 68 -2.888 5.621 9.638 1.00 15.43 C ATOM 338 CG MET A 68 -1.679 5.762 10.546 1.00 1.14 C ATOM 339 SD MET A 68 -2.006 6.794 11.985 1.00 71.11 S ATOM 340 CE MET A 68 -2.309 8.373 11.192 1.00 41.30 C ATOM 0 H MET A 68 -2.448 3.251 10.092 1.00 21.53 H new ATOM 0 HA MET A 68 -4.307 5.030 11.154 1.00 25.14 H new ATOM 0 HB2 MET A 68 -2.558 5.254 8.666 1.00 15.43 H new ATOM 0 HB3 MET A 68 -3.323 6.607 9.475 1.00 15.43 H new ATOM 0 HG2 MET A 68 -1.362 4.773 10.878 1.00 1.14 H new ATOM 0 HG3 MET A 68 -0.852 6.188 9.979 1.00 1.14 H new ATOM 0 HE1 MET A 68 -2.074 9.180 11.886 1.00 41.30 H new ATOM 0 HE2 MET A 68 -1.681 8.462 10.306 1.00 41.30 H new ATOM 0 HE3 MET A 68 -3.357 8.439 10.901 1.00 41.30 H new ATOM 350 N LEU A 69 -5.044 3.954 8.126 1.00 10.43 N ATOM 351 CA LEU A 69 -6.105 3.882 7.131 1.00 11.33 C ATOM 352 C LEU A 69 -7.377 3.297 7.731 1.00 44.34 C ATOM 353 O LEU A 69 -8.480 3.731 7.405 1.00 54.02 O ATOM 354 CB LEU A 69 -5.662 3.047 5.930 1.00 71.23 C ATOM 355 CG LEU A 69 -5.599 3.808 4.602 1.00 52.21 C ATOM 356 CD1 LEU A 69 -5.217 2.875 3.467 1.00 22.11 C ATOM 357 CD2 LEU A 69 -6.930 4.479 4.309 1.00 64.41 C ATOM 0 H LEU A 69 -4.223 3.390 7.907 1.00 10.43 H new ATOM 0 HA LEU A 69 -6.316 4.897 6.795 1.00 11.33 H new ATOM 0 HB2 LEU A 69 -4.677 2.630 6.140 1.00 71.23 H new ATOM 0 HB3 LEU A 69 -6.347 2.207 5.818 1.00 71.23 H new ATOM 0 HG LEU A 69 -4.833 4.579 4.687 1.00 52.21 H new ATOM 0 HD11 LEU A 69 -5.178 3.435 2.533 1.00 22.11 H new ATOM 0 HD12 LEU A 69 -4.239 2.438 3.669 1.00 22.11 H new ATOM 0 HD13 LEU A 69 -5.959 2.081 3.383 1.00 22.11 H new ATOM 0 HD21 LEU A 69 -6.867 5.015 3.362 1.00 64.41 H new ATOM 0 HD22 LEU A 69 -7.713 3.723 4.247 1.00 64.41 H new ATOM 0 HD23 LEU A 69 -7.167 5.181 5.108 1.00 64.41 H new ATOM 369 N ASN A 70 -7.213 2.338 8.636 1.00 2.34 N ATOM 370 CA ASN A 70 -8.351 1.711 9.306 1.00 32.40 C ATOM 371 C ASN A 70 -9.049 2.711 10.218 1.00 32.20 C ATOM 372 O ASN A 70 -10.236 2.575 10.523 1.00 72.43 O ATOM 373 CB ASN A 70 -7.899 0.492 10.119 1.00 33.14 C ATOM 374 CG ASN A 70 -7.729 -0.752 9.266 1.00 33.05 C ATOM 375 OD1 ASN A 70 -8.662 -1.533 9.102 1.00 60.31 O ATOM 376 ND2 ASN A 70 -6.538 -0.950 8.718 1.00 32.20 N ATOM 0 H ASN A 70 -6.304 1.977 8.924 1.00 2.34 H new ATOM 0 HA ASN A 70 -9.053 1.379 8.541 1.00 32.40 H new ATOM 0 HB2 ASN A 70 -6.955 0.720 10.613 1.00 33.14 H new ATOM 0 HB3 ASN A 70 -8.629 0.293 10.903 1.00 33.14 H new ATOM 0 HD21 ASN A 70 -6.374 -1.773 8.138 1.00 32.20 H new ATOM 0 HD22 ASN A 70 -5.786 -0.279 8.876 1.00 32.20 H new ATOM 383 N GLU A 71 -8.301 3.720 10.644 1.00 25.33 N ATOM 384 CA GLU A 71 -8.835 4.769 11.501 1.00 32.24 C ATOM 385 C GLU A 71 -9.609 5.793 10.674 1.00 44.31 C ATOM 386 O GLU A 71 -10.464 6.515 11.192 1.00 41.44 O ATOM 387 CB GLU A 71 -7.689 5.469 12.237 1.00 12.34 C ATOM 388 CG GLU A 71 -6.681 4.514 12.856 1.00 20.54 C ATOM 389 CD GLU A 71 -7.204 3.802 14.085 1.00 43.11 C ATOM 390 OE1 GLU A 71 -8.054 2.903 13.944 1.00 31.02 O ATOM 391 OE2 GLU A 71 -6.745 4.125 15.199 1.00 42.34 O ATOM 0 H GLU A 71 -7.315 3.834 10.408 1.00 25.33 H new ATOM 0 HA GLU A 71 -9.512 4.315 12.224 1.00 32.24 H new ATOM 0 HB2 GLU A 71 -7.171 6.127 11.540 1.00 12.34 H new ATOM 0 HB3 GLU A 71 -8.106 6.101 13.022 1.00 12.34 H new ATOM 0 HG2 GLU A 71 -6.390 3.773 12.112 1.00 20.54 H new ATOM 0 HG3 GLU A 71 -5.781 5.069 13.122 1.00 20.54 H new ATOM 398 N LEU A 72 -9.295 5.856 9.387 1.00 70.03 N ATOM 399 CA LEU A 72 -9.899 6.843 8.499 1.00 32.42 C ATOM 400 C LEU A 72 -11.042 6.253 7.679 1.00 40.24 C ATOM 401 O LEU A 72 -12.203 6.611 7.878 1.00 53.25 O ATOM 402 CB LEU A 72 -8.847 7.431 7.556 1.00 31.42 C ATOM 403 CG LEU A 72 -7.731 8.228 8.233 1.00 50.13 C ATOM 404 CD1 LEU A 72 -6.801 8.819 7.188 1.00 31.31 C ATOM 405 CD2 LEU A 72 -8.313 9.328 9.114 1.00 62.55 C ATOM 0 H LEU A 72 -8.625 5.235 8.933 1.00 70.03 H new ATOM 0 HA LEU A 72 -10.308 7.631 9.131 1.00 32.42 H new ATOM 0 HB2 LEU A 72 -8.396 6.617 6.989 1.00 31.42 H new ATOM 0 HB3 LEU A 72 -9.349 8.079 6.838 1.00 31.42 H new ATOM 0 HG LEU A 72 -7.158 7.552 8.868 1.00 50.13 H new ATOM 0 HD11 LEU A 72 -6.011 9.384 7.682 1.00 31.31 H new ATOM 0 HD12 LEU A 72 -6.359 8.016 6.599 1.00 31.31 H new ATOM 0 HD13 LEU A 72 -7.365 9.482 6.532 1.00 31.31 H new ATOM 0 HD21 LEU A 72 -7.502 9.883 9.586 1.00 62.55 H new ATOM 0 HD22 LEU A 72 -8.909 10.006 8.503 1.00 62.55 H new ATOM 0 HD23 LEU A 72 -8.944 8.883 9.883 1.00 62.55 H new ATOM 417 N ARG A 73 -10.714 5.339 6.775 1.00 22.25 N ATOM 418 CA ARG A 73 -11.673 4.859 5.794 1.00 34.41 C ATOM 419 C ARG A 73 -11.660 3.336 5.717 1.00 75.23 C ATOM 420 O ARG A 73 -10.613 2.731 5.508 1.00 73.11 O ATOM 421 CB ARG A 73 -11.333 5.447 4.420 1.00 43.44 C ATOM 422 CG ARG A 73 -12.341 5.115 3.339 1.00 74.10 C ATOM 423 CD ARG A 73 -13.689 5.759 3.607 1.00 13.01 C ATOM 424 NE ARG A 73 -13.999 6.799 2.629 1.00 71.41 N ATOM 425 CZ ARG A 73 -14.591 7.954 2.923 1.00 53.42 C ATOM 426 NH1 ARG A 73 -14.903 8.251 4.178 1.00 31.14 N ATOM 427 NH2 ARG A 73 -14.873 8.808 1.951 1.00 1.12 N ATOM 0 H ARG A 73 -9.789 4.916 6.702 1.00 22.25 H new ATOM 0 HA ARG A 73 -12.670 5.178 6.099 1.00 34.41 H new ATOM 0 HB2 ARG A 73 -11.256 6.531 4.509 1.00 43.44 H new ATOM 0 HB3 ARG A 73 -10.353 5.082 4.113 1.00 43.44 H new ATOM 0 HG2 ARG A 73 -11.963 5.452 2.374 1.00 74.10 H new ATOM 0 HG3 ARG A 73 -12.461 4.034 3.274 1.00 74.10 H new ATOM 0 HD2 ARG A 73 -14.467 4.996 3.585 1.00 13.01 H new ATOM 0 HD3 ARG A 73 -13.693 6.189 4.608 1.00 13.01 H new ATOM 0 HE ARG A 73 -13.745 6.628 1.656 1.00 71.41 H new ATOM 0 HH11 ARG A 73 -14.689 7.592 4.926 1.00 31.14 H new ATOM 0 HH12 ARG A 73 -15.357 9.139 4.394 1.00 31.14 H new ATOM 0 HH21 ARG A 73 -14.637 8.578 0.986 1.00 1.12 H new ATOM 0 HH22 ARG A 73 -15.327 9.695 2.168 1.00 1.12 H new ATOM 441 N HIS A 74 -12.828 2.728 5.889 1.00 31.43 N ATOM 442 CA HIS A 74 -12.976 1.285 5.730 1.00 34.31 C ATOM 443 C HIS A 74 -13.033 0.922 4.248 1.00 23.11 C ATOM 444 O HIS A 74 -13.198 1.796 3.395 1.00 54.31 O ATOM 445 CB HIS A 74 -14.240 0.787 6.449 1.00 22.35 C ATOM 446 CG HIS A 74 -15.511 1.443 5.986 1.00 2.14 C ATOM 447 ND1 HIS A 74 -16.111 2.493 6.642 1.00 71.54 N ATOM 448 CD2 HIS A 74 -16.300 1.176 4.911 1.00 23.54 C ATOM 449 CE1 HIS A 74 -17.218 2.826 5.967 1.00 22.31 C ATOM 450 NE2 HIS A 74 -17.379 2.057 4.907 1.00 2.35 N ATOM 0 H HIS A 74 -13.689 3.213 6.139 1.00 31.43 H new ATOM 0 HA HIS A 74 -12.111 0.798 6.179 1.00 34.31 H new ATOM 0 HB2 HIS A 74 -14.326 -0.290 6.304 1.00 22.35 H new ATOM 0 HB3 HIS A 74 -14.126 0.956 7.520 1.00 22.35 H new ATOM 0 HD2 HIS A 74 -16.119 0.404 4.178 1.00 23.54 H new ATOM 0 HE1 HIS A 74 -17.891 3.620 6.253 1.00 22.31 H new ATOM 0 HE2 HIS A 74 -18.137 2.099 4.226 1.00 2.35 H new ATOM 458 N GLY A 75 -12.906 -0.365 3.944 1.00 23.13 N ATOM 459 CA GLY A 75 -12.907 -0.790 2.563 1.00 70.43 C ATOM 460 C GLY A 75 -11.538 -0.635 1.949 1.00 42.20 C ATOM 461 O GLY A 75 -11.409 -0.276 0.784 1.00 61.55 O ATOM 0 H GLY A 75 -12.803 -1.115 4.627 1.00 23.13 H new ATOM 0 HA2 GLY A 75 -13.222 -1.831 2.500 1.00 70.43 H new ATOM 0 HA3 GLY A 75 -13.631 -0.203 1.999 1.00 70.43 H new ATOM 465 N LEU A 76 -10.513 -0.886 2.752 1.00 74.10 N ATOM 466 CA LEU A 76 -9.140 -0.798 2.293 1.00 32.44 C ATOM 467 C LEU A 76 -8.597 -2.192 1.996 1.00 33.02 C ATOM 468 O LEU A 76 -8.238 -2.948 2.904 1.00 64.40 O ATOM 469 CB LEU A 76 -8.248 -0.070 3.317 1.00 4.45 C ATOM 470 CG LEU A 76 -8.233 -0.642 4.744 1.00 23.14 C ATOM 471 CD1 LEU A 76 -6.984 -0.187 5.480 1.00 14.21 C ATOM 472 CD2 LEU A 76 -9.469 -0.209 5.522 1.00 23.21 C ATOM 0 H LEU A 76 -10.612 -1.154 3.731 1.00 74.10 H new ATOM 0 HA LEU A 76 -9.126 -0.211 1.374 1.00 32.44 H new ATOM 0 HB2 LEU A 76 -7.226 -0.069 2.939 1.00 4.45 H new ATOM 0 HB3 LEU A 76 -8.569 0.970 3.370 1.00 4.45 H new ATOM 0 HG LEU A 76 -8.234 -1.729 4.668 1.00 23.14 H new ATOM 0 HD11 LEU A 76 -6.986 -0.599 6.489 1.00 14.21 H new ATOM 0 HD12 LEU A 76 -6.100 -0.537 4.947 1.00 14.21 H new ATOM 0 HD13 LEU A 76 -6.969 0.902 5.533 1.00 14.21 H new ATOM 0 HD21 LEU A 76 -9.431 -0.628 6.527 1.00 23.21 H new ATOM 0 HD22 LEU A 76 -9.498 0.879 5.583 1.00 23.21 H new ATOM 0 HD23 LEU A 76 -10.364 -0.567 5.013 1.00 23.21 H new ATOM 484 N ILE A 77 -8.570 -2.541 0.722 1.00 20.11 N ATOM 485 CA ILE A 77 -8.101 -3.850 0.303 1.00 44.15 C ATOM 486 C ILE A 77 -6.690 -3.756 -0.266 1.00 51.22 C ATOM 487 O ILE A 77 -6.472 -3.109 -1.291 1.00 13.14 O ATOM 488 CB ILE A 77 -9.035 -4.489 -0.755 1.00 53.40 C ATOM 489 CG1 ILE A 77 -10.484 -4.532 -0.251 1.00 65.20 C ATOM 490 CG2 ILE A 77 -8.556 -5.889 -1.119 1.00 31.23 C ATOM 491 CD1 ILE A 77 -11.305 -3.322 -0.647 1.00 73.32 C ATOM 0 H ILE A 77 -8.868 -1.935 -0.042 1.00 20.11 H new ATOM 0 HA ILE A 77 -8.101 -4.485 1.189 1.00 44.15 H new ATOM 0 HB ILE A 77 -9.004 -3.869 -1.651 1.00 53.40 H new ATOM 0 HG12 ILE A 77 -10.967 -5.429 -0.638 1.00 65.20 H new ATOM 0 HG13 ILE A 77 -10.479 -4.616 0.836 1.00 65.20 H new ATOM 0 HG21 ILE A 77 -9.225 -6.321 -1.863 1.00 31.23 H new ATOM 0 HG22 ILE A 77 -7.547 -5.834 -1.527 1.00 31.23 H new ATOM 0 HG23 ILE A 77 -8.553 -6.516 -0.227 1.00 31.23 H new ATOM 0 HD11 ILE A 77 -12.317 -3.425 -0.255 1.00 73.32 H new ATOM 0 HD12 ILE A 77 -10.847 -2.422 -0.238 1.00 73.32 H new ATOM 0 HD13 ILE A 77 -11.343 -3.248 -1.734 1.00 73.32 H new ATOM 503 N TYR A 78 -5.739 -4.391 0.411 1.00 30.14 N ATOM 504 CA TYR A 78 -4.356 -4.427 -0.055 1.00 10.34 C ATOM 505 C TYR A 78 -4.108 -5.694 -0.858 1.00 60.42 C ATOM 506 O TYR A 78 -4.336 -6.803 -0.369 1.00 50.01 O ATOM 507 CB TYR A 78 -3.372 -4.379 1.118 1.00 75.41 C ATOM 508 CG TYR A 78 -3.501 -3.162 1.998 1.00 14.55 C ATOM 509 CD1 TYR A 78 -2.813 -1.993 1.707 1.00 54.14 C ATOM 510 CD2 TYR A 78 -4.300 -3.192 3.132 1.00 15.45 C ATOM 511 CE1 TYR A 78 -2.913 -0.888 2.527 1.00 63.31 C ATOM 512 CE2 TYR A 78 -4.410 -2.091 3.953 1.00 24.51 C ATOM 513 CZ TYR A 78 -3.716 -0.941 3.645 1.00 52.21 C ATOM 514 OH TYR A 78 -3.817 0.153 4.467 1.00 74.32 O ATOM 0 H TYR A 78 -5.901 -4.889 1.286 1.00 30.14 H new ATOM 0 HA TYR A 78 -4.196 -3.550 -0.683 1.00 10.34 H new ATOM 0 HB2 TYR A 78 -3.513 -5.270 1.730 1.00 75.41 H new ATOM 0 HB3 TYR A 78 -2.356 -4.420 0.725 1.00 75.41 H new ATOM 0 HD1 TYR A 78 -2.190 -1.947 0.826 1.00 54.14 H new ATOM 0 HD2 TYR A 78 -4.844 -4.093 3.375 1.00 15.45 H new ATOM 0 HE1 TYR A 78 -2.365 0.013 2.294 1.00 63.31 H new ATOM 0 HE2 TYR A 78 -5.036 -2.129 4.832 1.00 24.51 H new ATOM 0 HH TYR A 78 -4.135 -0.129 5.350 1.00 74.32 H new ATOM 524 N LYS A 79 -3.641 -5.529 -2.080 1.00 72.05 N ATOM 525 CA LYS A 79 -3.345 -6.664 -2.935 1.00 53.54 C ATOM 526 C LYS A 79 -2.006 -6.470 -3.641 1.00 21.31 C ATOM 527 O LYS A 79 -1.639 -5.353 -4.006 1.00 54.44 O ATOM 528 CB LYS A 79 -4.475 -6.862 -3.953 1.00 4.51 C ATOM 529 CG LYS A 79 -4.707 -5.656 -4.850 1.00 75.20 C ATOM 530 CD LYS A 79 -5.905 -5.855 -5.762 1.00 33.50 C ATOM 531 CE LYS A 79 -7.213 -5.822 -4.989 1.00 72.13 C ATOM 532 NZ LYS A 79 -8.377 -6.050 -5.880 1.00 53.11 N ATOM 0 H LYS A 79 -3.458 -4.620 -2.504 1.00 72.05 H new ATOM 0 HA LYS A 79 -3.272 -7.560 -2.318 1.00 53.54 H new ATOM 0 HB2 LYS A 79 -4.245 -7.727 -4.575 1.00 4.51 H new ATOM 0 HB3 LYS A 79 -5.398 -7.090 -3.419 1.00 4.51 H new ATOM 0 HG2 LYS A 79 -4.862 -4.770 -4.235 1.00 75.20 H new ATOM 0 HG3 LYS A 79 -3.817 -5.475 -5.453 1.00 75.20 H new ATOM 0 HD2 LYS A 79 -5.914 -5.077 -6.525 1.00 33.50 H new ATOM 0 HD3 LYS A 79 -5.813 -6.809 -6.280 1.00 33.50 H new ATOM 0 HE2 LYS A 79 -7.195 -6.584 -4.209 1.00 72.13 H new ATOM 0 HE3 LYS A 79 -7.318 -4.858 -4.491 1.00 72.13 H new ATOM 0 HZ1 LYS A 79 -9.253 -6.021 -5.321 1.00 53.11 H new ATOM 0 HZ2 LYS A 79 -8.407 -5.309 -6.609 1.00 53.11 H new ATOM 0 HZ3 LYS A 79 -8.288 -6.980 -6.336 1.00 53.11 H new ATOM 546 N LEU A 80 -1.267 -7.551 -3.807 1.00 44.30 N ATOM 547 CA LEU A 80 0.004 -7.496 -4.510 1.00 62.31 C ATOM 548 C LEU A 80 -0.246 -7.605 -6.006 1.00 65.52 C ATOM 549 O LEU A 80 -0.579 -8.679 -6.508 1.00 14.25 O ATOM 550 CB LEU A 80 0.922 -8.629 -4.039 1.00 33.44 C ATOM 551 CG LEU A 80 2.330 -8.634 -4.644 1.00 34.24 C ATOM 552 CD1 LEU A 80 3.109 -7.404 -4.202 1.00 60.14 C ATOM 553 CD2 LEU A 80 3.071 -9.904 -4.253 1.00 34.04 C ATOM 0 H LEU A 80 -1.523 -8.477 -3.466 1.00 44.30 H new ATOM 0 HA LEU A 80 0.496 -6.547 -4.295 1.00 62.31 H new ATOM 0 HB2 LEU A 80 1.012 -8.573 -2.954 1.00 33.44 H new ATOM 0 HB3 LEU A 80 0.443 -9.581 -4.270 1.00 33.44 H new ATOM 0 HG LEU A 80 2.238 -8.607 -5.730 1.00 34.24 H new ATOM 0 HD11 LEU A 80 4.106 -7.427 -4.642 1.00 60.14 H new ATOM 0 HD12 LEU A 80 2.587 -6.505 -4.531 1.00 60.14 H new ATOM 0 HD13 LEU A 80 3.193 -7.397 -3.115 1.00 60.14 H new ATOM 0 HD21 LEU A 80 4.069 -9.892 -4.691 1.00 34.04 H new ATOM 0 HD22 LEU A 80 3.151 -9.959 -3.167 1.00 34.04 H new ATOM 0 HD23 LEU A 80 2.524 -10.772 -4.621 1.00 34.04 H new ATOM 565 N GLU A 81 -0.110 -6.495 -6.716 1.00 15.21 N ATOM 566 CA GLU A 81 -0.418 -6.491 -8.139 1.00 24.34 C ATOM 567 C GLU A 81 0.800 -6.861 -8.980 1.00 75.31 C ATOM 568 O GLU A 81 0.659 -7.430 -10.058 1.00 74.31 O ATOM 569 CB GLU A 81 -1.001 -5.146 -8.597 1.00 13.33 C ATOM 570 CG GLU A 81 -0.139 -3.933 -8.287 1.00 45.23 C ATOM 571 CD GLU A 81 -0.578 -2.713 -9.071 1.00 11.41 C ATOM 572 OE1 GLU A 81 -1.678 -2.182 -8.796 1.00 0.45 O ATOM 573 OE2 GLU A 81 0.162 -2.295 -9.985 1.00 24.24 O ATOM 0 H GLU A 81 0.205 -5.601 -6.340 1.00 15.21 H new ATOM 0 HA GLU A 81 -1.181 -7.254 -8.294 1.00 24.34 H new ATOM 0 HB2 GLU A 81 -1.169 -5.188 -9.673 1.00 13.33 H new ATOM 0 HB3 GLU A 81 -1.975 -5.010 -8.127 1.00 13.33 H new ATOM 0 HG2 GLU A 81 -0.188 -3.716 -7.220 1.00 45.23 H new ATOM 0 HG3 GLU A 81 0.902 -4.158 -8.519 1.00 45.23 H new ATOM 580 N SER A 82 1.990 -6.545 -8.490 1.00 13.22 N ATOM 581 CA SER A 82 3.215 -6.881 -9.206 1.00 35.40 C ATOM 582 C SER A 82 4.387 -7.032 -8.242 1.00 2.41 C ATOM 583 O SER A 82 4.450 -6.358 -7.212 1.00 51.33 O ATOM 584 CB SER A 82 3.532 -5.813 -10.259 1.00 54.51 C ATOM 585 OG SER A 82 2.490 -5.711 -11.217 1.00 41.31 O ATOM 0 H SER A 82 2.135 -6.059 -7.605 1.00 13.22 H new ATOM 0 HA SER A 82 3.059 -7.835 -9.709 1.00 35.40 H new ATOM 0 HB2 SER A 82 3.676 -4.849 -9.771 1.00 54.51 H new ATOM 0 HB3 SER A 82 4.468 -6.060 -10.761 1.00 54.51 H new ATOM 0 HG SER A 82 2.717 -5.022 -11.875 1.00 41.31 H new ATOM 591 N GLN A 83 5.299 -7.933 -8.572 1.00 53.11 N ATOM 592 CA GLN A 83 6.498 -8.136 -7.781 1.00 2.22 C ATOM 593 C GLN A 83 7.665 -8.448 -8.708 1.00 41.11 C ATOM 594 O GLN A 83 7.657 -9.461 -9.409 1.00 63.12 O ATOM 595 CB GLN A 83 6.285 -9.274 -6.771 1.00 31.22 C ATOM 596 CG GLN A 83 7.355 -9.352 -5.690 1.00 32.10 C ATOM 597 CD GLN A 83 8.664 -9.956 -6.167 1.00 43.43 C ATOM 598 OE1 GLN A 83 8.686 -10.831 -7.033 1.00 63.13 O ATOM 599 NE2 GLN A 83 9.765 -9.479 -5.614 1.00 71.34 N ATOM 0 H GLN A 83 5.228 -8.539 -9.390 1.00 53.11 H new ATOM 0 HA GLN A 83 6.722 -7.228 -7.221 1.00 2.22 H new ATOM 0 HB2 GLN A 83 5.312 -9.147 -6.296 1.00 31.22 H new ATOM 0 HB3 GLN A 83 6.256 -10.222 -7.308 1.00 31.22 H new ATOM 0 HG2 GLN A 83 7.546 -8.349 -5.308 1.00 32.10 H new ATOM 0 HG3 GLN A 83 6.975 -9.943 -4.857 1.00 32.10 H new ATOM 0 HE21 GLN A 83 9.704 -8.754 -4.899 1.00 71.34 H new ATOM 0 HE22 GLN A 83 10.676 -9.836 -5.902 1.00 71.34 H new ATOM 608 N THR A 84 8.660 -7.575 -8.716 1.00 55.04 N ATOM 609 CA THR A 84 9.807 -7.723 -9.597 1.00 31.21 C ATOM 610 C THR A 84 11.088 -7.292 -8.896 1.00 54.05 C ATOM 611 O THR A 84 11.070 -6.370 -8.083 1.00 32.43 O ATOM 612 CB THR A 84 9.631 -6.876 -10.875 1.00 2.51 C ATOM 613 OG1 THR A 84 9.258 -5.535 -10.515 1.00 52.40 O ATOM 614 CG2 THR A 84 8.579 -7.473 -11.798 1.00 61.21 C ATOM 0 H THR A 84 8.696 -6.750 -8.117 1.00 55.04 H new ATOM 0 HA THR A 84 9.877 -8.777 -9.866 1.00 31.21 H new ATOM 0 HB THR A 84 10.580 -6.866 -11.410 1.00 2.51 H new ATOM 0 HG1 THR A 84 9.148 -4.997 -11.327 1.00 52.40 H new ATOM 0 HG21 THR A 84 8.481 -6.851 -12.688 1.00 61.21 H new ATOM 0 HG22 THR A 84 8.880 -8.479 -12.090 1.00 61.21 H new ATOM 0 HG23 THR A 84 7.622 -7.517 -11.279 1.00 61.21 H new ATOM 622 N GLY A 85 12.189 -7.965 -9.185 1.00 44.34 N ATOM 623 CA GLY A 85 13.467 -7.521 -8.668 1.00 55.52 C ATOM 624 C GLY A 85 14.316 -8.646 -8.118 1.00 61.54 C ATOM 625 O GLY A 85 13.903 -9.810 -8.132 1.00 45.14 O ATOM 0 H GLY A 85 12.223 -8.804 -9.764 1.00 44.34 H new ATOM 0 HA2 GLY A 85 14.016 -7.016 -9.463 1.00 55.52 H new ATOM 0 HA3 GLY A 85 13.297 -6.786 -7.881 1.00 55.52 H new ATOM 629 N PRO A 86 15.517 -8.312 -7.621 1.00 53.12 N ATOM 630 CA PRO A 86 16.463 -9.285 -7.062 1.00 54.30 C ATOM 631 C PRO A 86 16.005 -9.836 -5.717 1.00 14.42 C ATOM 632 O PRO A 86 14.926 -9.501 -5.237 1.00 22.30 O ATOM 633 CB PRO A 86 17.743 -8.464 -6.891 1.00 52.23 C ATOM 634 CG PRO A 86 17.276 -7.064 -6.721 1.00 30.13 C ATOM 635 CD PRO A 86 16.046 -6.937 -7.571 1.00 65.51 C ATOM 0 HA PRO A 86 16.576 -10.160 -7.702 1.00 54.30 H new ATOM 0 HB2 PRO A 86 18.315 -8.798 -6.025 1.00 52.23 H new ATOM 0 HB3 PRO A 86 18.394 -8.561 -7.760 1.00 52.23 H new ATOM 0 HG2 PRO A 86 17.053 -6.851 -5.676 1.00 30.13 H new ATOM 0 HG3 PRO A 86 18.043 -6.355 -7.034 1.00 30.13 H new ATOM 0 HD2 PRO A 86 15.326 -6.246 -7.133 1.00 65.51 H new ATOM 0 HD3 PRO A 86 16.283 -6.562 -8.567 1.00 65.51 H new ATOM 643 N VAL A 87 16.828 -10.678 -5.103 1.00 54.12 N ATOM 644 CA VAL A 87 16.482 -11.257 -3.813 1.00 73.34 C ATOM 645 C VAL A 87 17.057 -10.428 -2.670 1.00 53.34 C ATOM 646 O VAL A 87 16.578 -10.499 -1.537 1.00 61.52 O ATOM 647 CB VAL A 87 16.958 -12.723 -3.684 1.00 52.31 C ATOM 648 CG1 VAL A 87 16.306 -13.588 -4.754 1.00 30.14 C ATOM 649 CG2 VAL A 87 18.475 -12.820 -3.764 1.00 50.11 C ATOM 0 H VAL A 87 17.731 -10.972 -5.474 1.00 54.12 H new ATOM 0 HA VAL A 87 15.394 -11.250 -3.750 1.00 73.34 H new ATOM 0 HB VAL A 87 16.654 -13.092 -2.705 1.00 52.31 H new ATOM 0 HG11 VAL A 87 16.651 -14.617 -4.650 1.00 30.14 H new ATOM 0 HG12 VAL A 87 15.223 -13.555 -4.638 1.00 30.14 H new ATOM 0 HG13 VAL A 87 16.577 -13.212 -5.741 1.00 30.14 H new ATOM 0 HG21 VAL A 87 18.778 -13.863 -3.670 1.00 50.11 H new ATOM 0 HG22 VAL A 87 18.815 -12.428 -4.723 1.00 50.11 H new ATOM 0 HG23 VAL A 87 18.920 -12.239 -2.956 1.00 50.11 H new ATOM 659 N HIS A 88 18.080 -9.631 -2.974 1.00 42.14 N ATOM 660 CA HIS A 88 18.694 -8.773 -1.968 1.00 13.13 C ATOM 661 C HIS A 88 17.878 -7.496 -1.794 1.00 21.25 C ATOM 662 O HIS A 88 17.943 -6.843 -0.753 1.00 55.44 O ATOM 663 CB HIS A 88 20.150 -8.441 -2.337 1.00 2.01 C ATOM 664 CG HIS A 88 20.313 -7.580 -3.556 1.00 23.42 C ATOM 665 ND1 HIS A 88 20.525 -8.070 -4.825 1.00 22.52 N ATOM 666 CD2 HIS A 88 20.310 -6.228 -3.675 1.00 45.13 C ATOM 667 CE1 HIS A 88 20.645 -7.027 -5.655 1.00 21.04 C ATOM 668 NE2 HIS A 88 20.522 -5.885 -5.006 1.00 13.53 N ATOM 0 H HIS A 88 18.497 -9.563 -3.902 1.00 42.14 H new ATOM 0 HA HIS A 88 18.705 -9.312 -1.021 1.00 13.13 H new ATOM 0 HB2 HIS A 88 20.619 -7.939 -1.490 1.00 2.01 H new ATOM 0 HB3 HIS A 88 20.691 -9.374 -2.494 1.00 2.01 H new ATOM 0 HD2 HIS A 88 20.166 -5.529 -2.864 1.00 45.13 H new ATOM 0 HE1 HIS A 88 20.820 -7.109 -6.718 1.00 21.04 H new ATOM 0 HE2 HIS A 88 20.572 -4.945 -5.399 1.00 13.53 H new ATOM 676 N ALA A 89 17.109 -7.148 -2.820 1.00 62.42 N ATOM 677 CA ALA A 89 16.260 -5.965 -2.772 1.00 74.44 C ATOM 678 C ALA A 89 15.136 -6.065 -3.795 1.00 31.41 C ATOM 679 O ALA A 89 15.193 -5.447 -4.858 1.00 34.52 O ATOM 680 CB ALA A 89 17.077 -4.702 -3.001 1.00 64.43 C ATOM 0 H ALA A 89 17.057 -7.669 -3.695 1.00 62.42 H new ATOM 0 HA ALA A 89 15.816 -5.910 -1.778 1.00 74.44 H new ATOM 0 HB1 ALA A 89 16.421 -3.832 -2.961 1.00 64.43 H new ATOM 0 HB2 ALA A 89 17.840 -4.617 -2.228 1.00 64.43 H new ATOM 0 HB3 ALA A 89 17.555 -4.751 -3.979 1.00 64.43 H new ATOM 686 N PRO A 90 14.110 -6.869 -3.500 1.00 22.43 N ATOM 687 CA PRO A 90 12.973 -7.048 -4.395 1.00 2.54 C ATOM 688 C PRO A 90 12.037 -5.849 -4.358 1.00 14.10 C ATOM 689 O PRO A 90 11.996 -5.113 -3.374 1.00 10.33 O ATOM 690 CB PRO A 90 12.258 -8.294 -3.854 1.00 2.02 C ATOM 691 CG PRO A 90 13.090 -8.800 -2.717 1.00 34.43 C ATOM 692 CD PRO A 90 13.965 -7.662 -2.276 1.00 61.42 C ATOM 0 HA PRO A 90 13.289 -7.152 -5.433 1.00 2.54 H new ATOM 0 HB2 PRO A 90 11.250 -8.048 -3.518 1.00 2.02 H new ATOM 0 HB3 PRO A 90 12.159 -9.053 -4.630 1.00 2.02 H new ATOM 0 HG2 PRO A 90 12.457 -9.141 -1.897 1.00 34.43 H new ATOM 0 HG3 PRO A 90 13.693 -9.652 -3.029 1.00 34.43 H new ATOM 0 HD2 PRO A 90 13.505 -7.086 -1.473 1.00 61.42 H new ATOM 0 HD3 PRO A 90 14.928 -8.013 -1.905 1.00 61.42 H new ATOM 700 N LEU A 91 11.293 -5.643 -5.428 1.00 13.12 N ATOM 701 CA LEU A 91 10.314 -4.578 -5.458 1.00 64.45 C ATOM 702 C LEU A 91 8.913 -5.168 -5.431 1.00 51.12 C ATOM 703 O LEU A 91 8.504 -5.897 -6.338 1.00 4.21 O ATOM 704 CB LEU A 91 10.520 -3.677 -6.688 1.00 21.24 C ATOM 705 CG LEU A 91 9.709 -2.371 -6.714 1.00 63.44 C ATOM 706 CD1 LEU A 91 8.272 -2.623 -7.139 1.00 72.02 C ATOM 707 CD2 LEU A 91 9.750 -1.687 -5.355 1.00 52.15 C ATOM 0 H LEU A 91 11.348 -6.197 -6.283 1.00 13.12 H new ATOM 0 HA LEU A 91 10.443 -3.953 -4.574 1.00 64.45 H new ATOM 0 HB2 LEU A 91 11.578 -3.425 -6.755 1.00 21.24 H new ATOM 0 HB3 LEU A 91 10.272 -4.252 -7.580 1.00 21.24 H new ATOM 0 HG LEU A 91 10.166 -1.710 -7.450 1.00 63.44 H new ATOM 0 HD11 LEU A 91 7.724 -1.681 -7.148 1.00 72.02 H new ATOM 0 HD12 LEU A 91 8.259 -3.059 -8.138 1.00 72.02 H new ATOM 0 HD13 LEU A 91 7.800 -3.310 -6.437 1.00 72.02 H new ATOM 0 HD21 LEU A 91 9.170 -0.765 -5.394 1.00 52.15 H new ATOM 0 HD22 LEU A 91 9.326 -2.350 -4.601 1.00 52.15 H new ATOM 0 HD23 LEU A 91 10.783 -1.455 -5.095 1.00 52.15 H new ATOM 719 N PHE A 92 8.198 -4.860 -4.368 1.00 42.14 N ATOM 720 CA PHE A 92 6.827 -5.294 -4.202 1.00 31.12 C ATOM 721 C PHE A 92 5.894 -4.133 -4.494 1.00 10.14 C ATOM 722 O PHE A 92 6.133 -3.012 -4.045 1.00 64.23 O ATOM 723 CB PHE A 92 6.601 -5.814 -2.778 1.00 23.12 C ATOM 724 CG PHE A 92 7.273 -7.128 -2.503 1.00 4.03 C ATOM 725 CD1 PHE A 92 8.640 -7.193 -2.299 1.00 74.50 C ATOM 726 CD2 PHE A 92 6.536 -8.300 -2.447 1.00 14.34 C ATOM 727 CE1 PHE A 92 9.261 -8.397 -2.041 1.00 24.22 C ATOM 728 CE2 PHE A 92 7.153 -9.508 -2.188 1.00 62.35 C ATOM 729 CZ PHE A 92 8.517 -9.556 -1.988 1.00 72.32 C ATOM 0 H PHE A 92 8.553 -4.300 -3.593 1.00 42.14 H new ATOM 0 HA PHE A 92 6.620 -6.106 -4.899 1.00 31.12 H new ATOM 0 HB2 PHE A 92 6.967 -5.073 -2.067 1.00 23.12 H new ATOM 0 HB3 PHE A 92 5.530 -5.920 -2.605 1.00 23.12 H new ATOM 0 HD1 PHE A 92 9.229 -6.289 -2.342 1.00 74.50 H new ATOM 0 HD2 PHE A 92 5.468 -8.268 -2.607 1.00 14.34 H new ATOM 0 HE1 PHE A 92 10.328 -8.432 -1.881 1.00 24.22 H new ATOM 0 HE2 PHE A 92 6.568 -10.415 -2.142 1.00 62.35 H new ATOM 0 HZ PHE A 92 9.001 -10.501 -1.790 1.00 72.32 H new ATOM 739 N THR A 93 4.854 -4.392 -5.261 1.00 34.15 N ATOM 740 CA THR A 93 3.906 -3.359 -5.619 1.00 64.35 C ATOM 741 C THR A 93 2.525 -3.711 -5.085 1.00 22.14 C ATOM 742 O THR A 93 1.825 -4.564 -5.642 1.00 74.23 O ATOM 743 CB THR A 93 3.844 -3.165 -7.143 1.00 62.01 C ATOM 744 OG1 THR A 93 5.172 -3.037 -7.668 1.00 12.41 O ATOM 745 CG2 THR A 93 3.039 -1.926 -7.499 1.00 4.53 C ATOM 0 H THR A 93 4.645 -5.312 -5.649 1.00 34.15 H new ATOM 0 HA THR A 93 4.240 -2.424 -5.170 1.00 64.35 H new ATOM 0 HB THR A 93 3.355 -4.036 -7.580 1.00 62.01 H new ATOM 0 HG1 THR A 93 5.129 -2.915 -8.639 1.00 12.41 H new ATOM 0 HG21 THR A 93 3.010 -1.810 -8.582 1.00 4.53 H new ATOM 0 HG22 THR A 93 2.023 -2.030 -7.117 1.00 4.53 H new ATOM 0 HG23 THR A 93 3.506 -1.048 -7.053 1.00 4.53 H new ATOM 753 N ILE A 94 2.158 -3.078 -3.988 1.00 21.44 N ATOM 754 CA ILE A 94 0.875 -3.315 -3.355 1.00 24.22 C ATOM 755 C ILE A 94 -0.101 -2.224 -3.749 1.00 33.20 C ATOM 756 O ILE A 94 0.214 -1.036 -3.667 1.00 33.53 O ATOM 757 CB ILE A 94 1.013 -3.353 -1.817 1.00 21.54 C ATOM 758 CG1 ILE A 94 1.821 -4.582 -1.389 1.00 54.25 C ATOM 759 CG2 ILE A 94 -0.355 -3.338 -1.142 1.00 41.22 C ATOM 760 CD1 ILE A 94 1.020 -5.865 -1.328 1.00 74.04 C ATOM 0 H ILE A 94 2.738 -2.387 -3.512 1.00 21.44 H new ATOM 0 HA ILE A 94 0.503 -4.282 -3.692 1.00 24.22 H new ATOM 0 HB ILE A 94 1.547 -2.458 -1.498 1.00 21.54 H new ATOM 0 HG12 ILE A 94 2.649 -4.718 -2.084 1.00 54.25 H new ATOM 0 HG13 ILE A 94 2.256 -4.392 -0.408 1.00 54.25 H new ATOM 0 HG21 ILE A 94 -0.227 -3.365 -0.060 1.00 41.22 H new ATOM 0 HG22 ILE A 94 -0.889 -2.430 -1.421 1.00 41.22 H new ATOM 0 HG23 ILE A 94 -0.928 -4.208 -1.462 1.00 41.22 H new ATOM 0 HD11 ILE A 94 1.668 -6.684 -1.017 1.00 74.04 H new ATOM 0 HD12 ILE A 94 0.207 -5.753 -0.610 1.00 74.04 H new ATOM 0 HD13 ILE A 94 0.607 -6.083 -2.313 1.00 74.04 H new ATOM 772 N SER A 95 -1.264 -2.626 -4.204 1.00 42.40 N ATOM 773 CA SER A 95 -2.307 -1.688 -4.530 1.00 23.32 C ATOM 774 C SER A 95 -3.416 -1.762 -3.500 1.00 32.34 C ATOM 775 O SER A 95 -3.870 -2.849 -3.135 1.00 74.44 O ATOM 776 CB SER A 95 -2.853 -1.971 -5.926 1.00 44.50 C ATOM 777 OG SER A 95 -2.843 -3.358 -6.209 1.00 71.52 O ATOM 0 H SER A 95 -1.511 -3.604 -4.357 1.00 42.40 H new ATOM 0 HA SER A 95 -1.891 -0.680 -4.520 1.00 23.32 H new ATOM 0 HB2 SER A 95 -3.871 -1.588 -6.006 1.00 44.50 H new ATOM 0 HB3 SER A 95 -2.255 -1.442 -6.667 1.00 44.50 H new ATOM 0 HG SER A 95 -3.199 -3.511 -7.109 1.00 71.52 H new ATOM 783 N VAL A 96 -3.827 -0.613 -3.009 1.00 0.51 N ATOM 784 CA VAL A 96 -4.933 -0.554 -2.082 1.00 44.10 C ATOM 785 C VAL A 96 -6.004 0.371 -2.622 1.00 24.52 C ATOM 786 O VAL A 96 -5.742 1.530 -2.952 1.00 24.33 O ATOM 787 CB VAL A 96 -4.506 -0.101 -0.666 1.00 50.34 C ATOM 788 CG1 VAL A 96 -3.868 1.282 -0.689 1.00 62.42 C ATOM 789 CG2 VAL A 96 -5.705 -0.128 0.272 1.00 44.33 C ATOM 0 H VAL A 96 -3.412 0.291 -3.236 1.00 0.51 H new ATOM 0 HA VAL A 96 -5.326 -1.566 -1.985 1.00 44.10 H new ATOM 0 HB VAL A 96 -3.753 -0.799 -0.299 1.00 50.34 H new ATOM 0 HG11 VAL A 96 -3.581 1.567 0.323 1.00 62.42 H new ATOM 0 HG12 VAL A 96 -2.984 1.264 -1.326 1.00 62.42 H new ATOM 0 HG13 VAL A 96 -4.583 2.006 -1.081 1.00 62.42 H new ATOM 0 HG21 VAL A 96 -5.396 0.192 1.267 1.00 44.33 H new ATOM 0 HG22 VAL A 96 -6.476 0.546 -0.103 1.00 44.33 H new ATOM 0 HG23 VAL A 96 -6.103 -1.141 0.324 1.00 44.33 H new ATOM 799 N GLU A 97 -7.202 -0.149 -2.746 1.00 10.04 N ATOM 800 CA GLU A 97 -8.298 0.643 -3.233 1.00 64.23 C ATOM 801 C GLU A 97 -9.107 1.153 -2.060 1.00 14.34 C ATOM 802 O GLU A 97 -9.794 0.390 -1.388 1.00 31.03 O ATOM 803 CB GLU A 97 -9.160 -0.175 -4.172 1.00 72.10 C ATOM 804 CG GLU A 97 -9.943 0.676 -5.149 1.00 43.11 C ATOM 805 CD GLU A 97 -10.481 -0.126 -6.313 1.00 71.21 C ATOM 806 OE1 GLU A 97 -9.723 -0.374 -7.274 1.00 13.11 O ATOM 807 OE2 GLU A 97 -11.662 -0.522 -6.271 1.00 45.43 O ATOM 0 H GLU A 97 -7.439 -1.114 -2.516 1.00 10.04 H new ATOM 0 HA GLU A 97 -7.912 1.496 -3.792 1.00 64.23 H new ATOM 0 HB2 GLU A 97 -8.527 -0.867 -4.728 1.00 72.10 H new ATOM 0 HB3 GLU A 97 -9.854 -0.778 -3.587 1.00 72.10 H new ATOM 0 HG2 GLU A 97 -10.772 1.154 -4.627 1.00 43.11 H new ATOM 0 HG3 GLU A 97 -9.302 1.473 -5.526 1.00 43.11 H new ATOM 814 N VAL A 98 -8.994 2.437 -1.810 1.00 4.50 N ATOM 815 CA VAL A 98 -9.634 3.051 -0.663 1.00 20.43 C ATOM 816 C VAL A 98 -10.731 3.987 -1.128 1.00 4.45 C ATOM 817 O VAL A 98 -10.483 4.869 -1.951 1.00 54.11 O ATOM 818 CB VAL A 98 -8.630 3.829 0.203 1.00 61.34 C ATOM 819 CG1 VAL A 98 -9.285 4.283 1.493 1.00 10.51 C ATOM 820 CG2 VAL A 98 -7.400 2.986 0.495 1.00 33.43 C ATOM 0 H VAL A 98 -8.460 3.084 -2.390 1.00 4.50 H new ATOM 0 HA VAL A 98 -10.056 2.252 -0.053 1.00 20.43 H new ATOM 0 HB VAL A 98 -8.311 4.711 -0.352 1.00 61.34 H new ATOM 0 HG11 VAL A 98 -8.561 4.832 2.095 1.00 10.51 H new ATOM 0 HG12 VAL A 98 -10.131 4.930 1.263 1.00 10.51 H new ATOM 0 HG13 VAL A 98 -9.634 3.413 2.050 1.00 10.51 H new ATOM 0 HG21 VAL A 98 -6.704 3.558 1.109 1.00 33.43 H new ATOM 0 HG22 VAL A 98 -7.696 2.083 1.028 1.00 33.43 H new ATOM 0 HG23 VAL A 98 -6.916 2.712 -0.442 1.00 33.43 H new ATOM 830 N ASP A 99 -11.941 3.764 -0.617 1.00 53.24 N ATOM 831 CA ASP A 99 -13.148 4.497 -1.033 1.00 35.34 C ATOM 832 C ASP A 99 -13.565 4.130 -2.452 1.00 22.32 C ATOM 833 O ASP A 99 -14.748 4.098 -2.785 1.00 24.34 O ATOM 834 CB ASP A 99 -12.948 6.013 -0.916 1.00 23.22 C ATOM 835 CG ASP A 99 -14.224 6.792 -1.177 1.00 63.44 C ATOM 836 OD1 ASP A 99 -14.579 7.002 -2.357 1.00 4.13 O ATOM 837 OD2 ASP A 99 -14.880 7.192 -0.198 1.00 54.42 O ATOM 0 H ASP A 99 -12.118 3.065 0.104 1.00 53.24 H new ATOM 0 HA ASP A 99 -13.949 4.201 -0.355 1.00 35.34 H new ATOM 0 HB2 ASP A 99 -12.579 6.251 0.082 1.00 23.22 H new ATOM 0 HB3 ASP A 99 -12.182 6.330 -1.623 1.00 23.22 H new ATOM 842 N GLY A 100 -12.589 3.810 -3.256 1.00 2.55 N ATOM 843 CA GLY A 100 -12.812 3.537 -4.651 1.00 0.31 C ATOM 844 C GLY A 100 -11.632 3.983 -5.482 1.00 73.42 C ATOM 845 O GLY A 100 -11.521 3.642 -6.661 1.00 43.44 O ATOM 0 H GLY A 100 -11.615 3.731 -2.963 1.00 2.55 H new ATOM 0 HA2 GLY A 100 -12.981 2.470 -4.795 1.00 0.31 H new ATOM 0 HA3 GLY A 100 -13.713 4.050 -4.987 1.00 0.31 H new ATOM 849 N GLN A 101 -10.746 4.749 -4.856 1.00 31.54 N ATOM 850 CA GLN A 101 -9.519 5.196 -5.505 1.00 64.33 C ATOM 851 C GLN A 101 -8.436 4.147 -5.294 1.00 73.04 C ATOM 852 O GLN A 101 -8.256 3.661 -4.180 1.00 15.55 O ATOM 853 CB GLN A 101 -9.056 6.531 -4.918 1.00 52.31 C ATOM 854 CG GLN A 101 -8.153 7.339 -5.838 1.00 31.44 C ATOM 855 CD GLN A 101 -8.874 7.848 -7.075 1.00 3.32 C ATOM 856 OE1 GLN A 101 -9.466 8.928 -7.062 1.00 2.44 O ATOM 857 NE2 GLN A 101 -8.802 7.095 -8.158 1.00 54.14 N ATOM 0 H GLN A 101 -10.855 5.075 -3.896 1.00 31.54 H new ATOM 0 HA GLN A 101 -9.709 5.331 -6.570 1.00 64.33 H new ATOM 0 HB2 GLN A 101 -9.933 7.130 -4.671 1.00 52.31 H new ATOM 0 HB3 GLN A 101 -8.527 6.340 -3.984 1.00 52.31 H new ATOM 0 HG2 GLN A 101 -7.745 8.186 -5.287 1.00 31.44 H new ATOM 0 HG3 GLN A 101 -7.308 6.722 -6.144 1.00 31.44 H new ATOM 0 HE21 GLN A 101 -8.302 6.206 -8.129 1.00 54.14 H new ATOM 0 HE22 GLN A 101 -9.246 7.402 -9.023 1.00 54.14 H new ATOM 866 N LYS A 102 -7.721 3.791 -6.348 1.00 52.31 N ATOM 867 CA LYS A 102 -6.695 2.767 -6.236 1.00 11.15 C ATOM 868 C LYS A 102 -5.330 3.409 -6.038 1.00 23.42 C ATOM 869 O LYS A 102 -4.785 4.038 -6.946 1.00 61.04 O ATOM 870 CB LYS A 102 -6.703 1.856 -7.471 1.00 1.41 C ATOM 871 CG LYS A 102 -5.997 0.523 -7.253 1.00 43.15 C ATOM 872 CD LYS A 102 -4.522 0.565 -7.644 1.00 14.50 C ATOM 873 CE LYS A 102 -4.336 0.486 -9.154 1.00 42.03 C ATOM 874 NZ LYS A 102 -2.922 0.216 -9.535 1.00 32.34 N ATOM 0 H LYS A 102 -7.829 4.190 -7.280 1.00 52.31 H new ATOM 0 HA LYS A 102 -6.911 2.149 -5.364 1.00 11.15 H new ATOM 0 HB2 LYS A 102 -7.735 1.667 -7.765 1.00 1.41 H new ATOM 0 HB3 LYS A 102 -6.226 2.378 -8.300 1.00 1.41 H new ATOM 0 HG2 LYS A 102 -6.082 0.239 -6.204 1.00 43.15 H new ATOM 0 HG3 LYS A 102 -6.501 -0.249 -7.834 1.00 43.15 H new ATOM 0 HD2 LYS A 102 -4.073 1.485 -7.270 1.00 14.50 H new ATOM 0 HD3 LYS A 102 -3.996 -0.263 -7.169 1.00 14.50 H new ATOM 0 HE2 LYS A 102 -4.975 -0.300 -9.556 1.00 42.03 H new ATOM 0 HE3 LYS A 102 -4.660 1.423 -9.607 1.00 42.03 H new ATOM 0 HZ1 LYS A 102 -2.850 0.137 -10.570 1.00 32.34 H new ATOM 0 HZ2 LYS A 102 -2.318 0.996 -9.204 1.00 32.34 H new ATOM 0 HZ3 LYS A 102 -2.608 -0.674 -9.098 1.00 32.34 H new ATOM 888 N TYR A 103 -4.796 3.260 -4.837 1.00 21.04 N ATOM 889 CA TYR A 103 -3.502 3.822 -4.492 1.00 31.05 C ATOM 890 C TYR A 103 -2.429 2.756 -4.638 1.00 43.14 C ATOM 891 O TYR A 103 -2.728 1.562 -4.573 1.00 30.13 O ATOM 892 CB TYR A 103 -3.517 4.359 -3.056 1.00 11.43 C ATOM 893 CG TYR A 103 -4.568 5.418 -2.820 1.00 71.01 C ATOM 894 CD1 TYR A 103 -5.877 5.072 -2.509 1.00 74.01 C ATOM 895 CD2 TYR A 103 -4.251 6.766 -2.905 1.00 52.23 C ATOM 896 CE1 TYR A 103 -6.838 6.040 -2.297 1.00 10.52 C ATOM 897 CE2 TYR A 103 -5.205 7.737 -2.694 1.00 54.02 C ATOM 898 CZ TYR A 103 -6.495 7.372 -2.387 1.00 45.44 C ATOM 899 OH TYR A 103 -7.446 8.340 -2.166 1.00 11.53 O ATOM 0 H TYR A 103 -5.245 2.748 -4.077 1.00 21.04 H new ATOM 0 HA TYR A 103 -3.284 4.649 -5.168 1.00 31.05 H new ATOM 0 HB2 TYR A 103 -3.687 3.530 -2.368 1.00 11.43 H new ATOM 0 HB3 TYR A 103 -2.536 4.773 -2.821 1.00 11.43 H new ATOM 0 HD1 TYR A 103 -6.147 4.029 -2.432 1.00 74.01 H new ATOM 0 HD2 TYR A 103 -3.239 7.059 -3.141 1.00 52.23 H new ATOM 0 HE1 TYR A 103 -7.853 5.755 -2.062 1.00 10.52 H new ATOM 0 HE2 TYR A 103 -4.941 8.781 -2.769 1.00 54.02 H new ATOM 0 HH TYR A 103 -7.033 9.226 -2.236 1.00 11.53 H new ATOM 909 N LEU A 104 -1.191 3.176 -4.831 1.00 61.33 N ATOM 910 CA LEU A 104 -0.113 2.233 -5.061 1.00 51.15 C ATOM 911 C LEU A 104 1.014 2.439 -4.061 1.00 74.22 C ATOM 912 O LEU A 104 1.328 3.571 -3.689 1.00 71.20 O ATOM 913 CB LEU A 104 0.429 2.383 -6.482 1.00 32.44 C ATOM 914 CG LEU A 104 1.081 1.130 -7.049 1.00 24.14 C ATOM 915 CD1 LEU A 104 0.048 0.025 -7.172 1.00 13.54 C ATOM 916 CD2 LEU A 104 1.724 1.424 -8.396 1.00 31.53 C ATOM 0 H LEU A 104 -0.909 4.156 -4.833 1.00 61.33 H new ATOM 0 HA LEU A 104 -0.514 1.228 -4.932 1.00 51.15 H new ATOM 0 HB2 LEU A 104 -0.389 2.680 -7.139 1.00 32.44 H new ATOM 0 HB3 LEU A 104 1.158 3.193 -6.495 1.00 32.44 H new ATOM 0 HG LEU A 104 1.867 0.800 -6.369 1.00 24.14 H new ATOM 0 HD11 LEU A 104 0.519 -0.870 -7.578 1.00 13.54 H new ATOM 0 HD12 LEU A 104 -0.366 -0.197 -6.188 1.00 13.54 H new ATOM 0 HD13 LEU A 104 -0.752 0.348 -7.838 1.00 13.54 H new ATOM 0 HD21 LEU A 104 2.185 0.516 -8.785 1.00 31.53 H new ATOM 0 HD22 LEU A 104 0.963 1.773 -9.094 1.00 31.53 H new ATOM 0 HD23 LEU A 104 2.486 2.194 -8.275 1.00 31.53 H new ATOM 928 N GLY A 105 1.602 1.340 -3.619 1.00 30.24 N ATOM 929 CA GLY A 105 2.742 1.403 -2.735 1.00 45.51 C ATOM 930 C GLY A 105 3.820 0.435 -3.161 1.00 54.33 C ATOM 931 O GLY A 105 3.542 -0.740 -3.414 1.00 13.13 O ATOM 0 H GLY A 105 1.305 0.395 -3.861 1.00 30.24 H new ATOM 0 HA2 GLY A 105 3.143 2.417 -2.727 1.00 45.51 H new ATOM 0 HA3 GLY A 105 2.428 1.176 -1.716 1.00 45.51 H new ATOM 935 N GLN A 106 5.045 0.917 -3.258 1.00 53.20 N ATOM 936 CA GLN A 106 6.144 0.091 -3.724 1.00 12.32 C ATOM 937 C GLN A 106 7.242 0.025 -2.672 1.00 50.43 C ATOM 938 O GLN A 106 7.752 1.054 -2.227 1.00 30.22 O ATOM 939 CB GLN A 106 6.688 0.631 -5.043 1.00 64.31 C ATOM 940 CG GLN A 106 5.619 0.772 -6.114 1.00 4.23 C ATOM 941 CD GLN A 106 6.200 0.864 -7.504 1.00 71.45 C ATOM 942 OE1 GLN A 106 6.515 1.949 -7.995 1.00 3.41 O ATOM 943 NE2 GLN A 106 6.337 -0.279 -8.147 1.00 1.40 N ATOM 0 H GLN A 106 5.304 1.875 -3.021 1.00 53.20 H new ATOM 0 HA GLN A 106 5.775 -0.920 -3.894 1.00 12.32 H new ATOM 0 HB2 GLN A 106 7.150 1.603 -4.868 1.00 64.31 H new ATOM 0 HB3 GLN A 106 7.472 -0.034 -5.406 1.00 64.31 H new ATOM 0 HG2 GLN A 106 4.943 -0.082 -6.062 1.00 4.23 H new ATOM 0 HG3 GLN A 106 5.024 1.663 -5.913 1.00 4.23 H new ATOM 0 HE21 GLN A 106 6.062 -1.153 -7.698 1.00 1.40 H new ATOM 0 HE22 GLN A 106 6.718 -0.289 -9.093 1.00 1.40 H new ATOM 952 N GLY A 107 7.588 -1.186 -2.271 1.00 65.22 N ATOM 953 CA GLY A 107 8.590 -1.372 -1.243 1.00 21.45 C ATOM 954 C GLY A 107 9.416 -2.616 -1.474 1.00 51.33 C ATOM 955 O GLY A 107 9.201 -3.334 -2.445 1.00 13.20 O ATOM 0 H GLY A 107 7.191 -2.049 -2.641 1.00 65.22 H new ATOM 0 HA2 GLY A 107 9.246 -0.502 -1.215 1.00 21.45 H new ATOM 0 HA3 GLY A 107 8.103 -1.436 -0.270 1.00 21.45 H new ATOM 959 N ARG A 108 10.356 -2.879 -0.578 1.00 54.41 N ATOM 960 CA ARG A 108 11.247 -4.026 -0.719 1.00 24.21 C ATOM 961 C ARG A 108 10.612 -5.303 -0.180 1.00 42.24 C ATOM 962 O ARG A 108 11.189 -6.385 -0.284 1.00 71.25 O ATOM 963 CB ARG A 108 12.572 -3.763 -0.007 1.00 1.11 C ATOM 964 CG ARG A 108 13.309 -2.563 -0.564 1.00 42.55 C ATOM 965 CD ARG A 108 13.575 -2.734 -2.053 1.00 24.22 C ATOM 966 NE ARG A 108 14.087 -1.518 -2.677 1.00 42.13 N ATOM 967 CZ ARG A 108 13.848 -1.189 -3.947 1.00 5.10 C ATOM 968 NH1 ARG A 108 13.109 -1.984 -4.712 1.00 42.05 N ATOM 969 NH2 ARG A 108 14.351 -0.076 -4.458 1.00 43.44 N ATOM 0 H ARG A 108 10.523 -2.315 0.255 1.00 54.41 H new ATOM 0 HA ARG A 108 11.432 -4.166 -1.784 1.00 24.21 H new ATOM 0 HB2 ARG A 108 12.384 -3.607 1.055 1.00 1.11 H new ATOM 0 HB3 ARG A 108 13.207 -4.645 -0.092 1.00 1.11 H new ATOM 0 HG2 ARG A 108 12.722 -1.660 -0.396 1.00 42.55 H new ATOM 0 HG3 ARG A 108 14.253 -2.432 -0.034 1.00 42.55 H new ATOM 0 HD2 ARG A 108 14.292 -3.542 -2.199 1.00 24.22 H new ATOM 0 HD3 ARG A 108 12.652 -3.032 -2.551 1.00 24.22 H new ATOM 0 HE ARG A 108 14.657 -0.888 -2.113 1.00 42.13 H new ATOM 0 HH11 ARG A 108 12.724 -2.847 -4.328 1.00 42.05 H new ATOM 0 HH12 ARG A 108 12.927 -1.732 -5.683 1.00 42.05 H new ATOM 0 HH21 ARG A 108 14.926 0.537 -3.879 1.00 43.44 H new ATOM 0 HH22 ARG A 108 14.164 0.169 -5.430 1.00 43.44 H new ATOM 983 N SER A 109 9.422 -5.172 0.379 1.00 54.43 N ATOM 984 CA SER A 109 8.715 -6.299 0.969 1.00 4.34 C ATOM 985 C SER A 109 7.216 -6.051 0.871 1.00 61.13 C ATOM 986 O SER A 109 6.795 -4.918 0.623 1.00 24.14 O ATOM 987 CB SER A 109 9.125 -6.479 2.435 1.00 33.22 C ATOM 988 OG SER A 109 10.537 -6.541 2.580 1.00 1.13 O ATOM 0 H SER A 109 8.919 -4.287 0.438 1.00 54.43 H new ATOM 0 HA SER A 109 8.972 -7.210 0.428 1.00 4.34 H new ATOM 0 HB2 SER A 109 8.734 -5.651 3.027 1.00 33.22 H new ATOM 0 HB3 SER A 109 8.678 -7.392 2.829 1.00 33.22 H new ATOM 0 HG SER A 109 10.764 -6.654 3.527 1.00 1.13 H new ATOM 994 N LYS A 110 6.414 -7.096 1.059 1.00 70.22 N ATOM 995 CA LYS A 110 4.961 -6.965 1.004 1.00 61.24 C ATOM 996 C LYS A 110 4.479 -5.977 2.056 1.00 74.23 C ATOM 997 O LYS A 110 3.551 -5.207 1.819 1.00 24.23 O ATOM 998 CB LYS A 110 4.283 -8.317 1.235 1.00 1.22 C ATOM 999 CG LYS A 110 4.502 -9.313 0.114 1.00 73.40 C ATOM 1000 CD LYS A 110 3.742 -10.602 0.368 1.00 63.32 C ATOM 1001 CE LYS A 110 3.964 -11.599 -0.753 1.00 5.22 C ATOM 1002 NZ LYS A 110 3.198 -12.855 -0.540 1.00 14.11 N ATOM 0 H LYS A 110 6.745 -8.041 1.250 1.00 70.22 H new ATOM 0 HA LYS A 110 4.696 -6.600 0.012 1.00 61.24 H new ATOM 0 HB2 LYS A 110 4.655 -8.745 2.166 1.00 1.22 H new ATOM 0 HB3 LYS A 110 3.212 -8.158 1.363 1.00 1.22 H new ATOM 0 HG2 LYS A 110 4.178 -8.877 -0.831 1.00 73.40 H new ATOM 0 HG3 LYS A 110 5.566 -9.528 0.018 1.00 73.40 H new ATOM 0 HD2 LYS A 110 4.064 -11.037 1.314 1.00 63.32 H new ATOM 0 HD3 LYS A 110 2.677 -10.387 0.462 1.00 63.32 H new ATOM 0 HE2 LYS A 110 3.668 -11.150 -1.701 1.00 5.22 H new ATOM 0 HE3 LYS A 110 5.027 -11.830 -0.827 1.00 5.22 H new ATOM 0 HZ1 LYS A 110 3.378 -13.509 -1.328 1.00 14.11 H new ATOM 0 HZ2 LYS A 110 3.498 -13.297 0.352 1.00 14.11 H new ATOM 0 HZ3 LYS A 110 2.182 -12.638 -0.495 1.00 14.11 H new ATOM 1016 N LYS A 111 5.125 -6.003 3.217 1.00 21.51 N ATOM 1017 CA LYS A 111 4.772 -5.113 4.309 1.00 42.53 C ATOM 1018 C LYS A 111 5.082 -3.667 3.946 1.00 24.05 C ATOM 1019 O LYS A 111 4.225 -2.792 4.074 1.00 2.32 O ATOM 1020 CB LYS A 111 5.524 -5.500 5.582 1.00 23.43 C ATOM 1021 CG LYS A 111 5.321 -4.505 6.710 1.00 3.14 C ATOM 1022 CD LYS A 111 6.194 -4.812 7.912 1.00 63.52 C ATOM 1023 CE LYS A 111 6.161 -3.654 8.889 1.00 11.51 C ATOM 1024 NZ LYS A 111 6.955 -3.919 10.116 1.00 0.31 N ATOM 0 H LYS A 111 5.899 -6.635 3.423 1.00 21.51 H new ATOM 0 HA LYS A 111 3.701 -5.208 4.489 1.00 42.53 H new ATOM 0 HB2 LYS A 111 5.193 -6.486 5.909 1.00 23.43 H new ATOM 0 HB3 LYS A 111 6.588 -5.579 5.360 1.00 23.43 H new ATOM 0 HG2 LYS A 111 5.543 -3.500 6.350 1.00 3.14 H new ATOM 0 HG3 LYS A 111 4.274 -4.511 7.013 1.00 3.14 H new ATOM 0 HD2 LYS A 111 5.845 -5.721 8.402 1.00 63.52 H new ATOM 0 HD3 LYS A 111 7.219 -4.997 7.589 1.00 63.52 H new ATOM 0 HE2 LYS A 111 6.544 -2.759 8.399 1.00 11.51 H new ATOM 0 HE3 LYS A 111 5.128 -3.447 9.167 1.00 11.51 H new ATOM 0 HZ1 LYS A 111 6.778 -3.168 10.813 1.00 0.31 H new ATOM 0 HZ2 LYS A 111 6.677 -4.837 10.518 1.00 0.31 H new ATOM 0 HZ3 LYS A 111 7.967 -3.938 9.877 1.00 0.31 H new ATOM 1038 N VAL A 112 6.312 -3.426 3.496 1.00 4.02 N ATOM 1039 CA VAL A 112 6.740 -2.087 3.104 1.00 51.01 C ATOM 1040 C VAL A 112 5.803 -1.521 2.046 1.00 34.31 C ATOM 1041 O VAL A 112 5.282 -0.418 2.192 1.00 21.05 O ATOM 1042 CB VAL A 112 8.178 -2.076 2.541 1.00 73.12 C ATOM 1043 CG1 VAL A 112 8.654 -0.646 2.326 1.00 34.24 C ATOM 1044 CG2 VAL A 112 9.139 -2.827 3.451 1.00 60.22 C ATOM 0 H VAL A 112 7.030 -4.143 3.394 1.00 4.02 H new ATOM 0 HA VAL A 112 6.714 -1.474 4.005 1.00 51.01 H new ATOM 0 HB VAL A 112 8.163 -2.589 1.580 1.00 73.12 H new ATOM 0 HG11 VAL A 112 9.669 -0.656 1.929 1.00 34.24 H new ATOM 0 HG12 VAL A 112 7.993 -0.145 1.619 1.00 34.24 H new ATOM 0 HG13 VAL A 112 8.641 -0.112 3.276 1.00 34.24 H new ATOM 0 HG21 VAL A 112 10.141 -2.799 3.024 1.00 60.22 H new ATOM 0 HG22 VAL A 112 9.150 -2.358 4.435 1.00 60.22 H new ATOM 0 HG23 VAL A 112 8.814 -3.863 3.547 1.00 60.22 H new ATOM 1054 N ALA A 113 5.578 -2.302 0.997 1.00 31.44 N ATOM 1055 CA ALA A 113 4.727 -1.888 -0.109 1.00 30.21 C ATOM 1056 C ALA A 113 3.307 -1.603 0.364 1.00 31.54 C ATOM 1057 O ALA A 113 2.668 -0.657 -0.093 1.00 41.42 O ATOM 1058 CB ALA A 113 4.727 -2.955 -1.187 1.00 51.01 C ATOM 0 H ALA A 113 5.978 -3.234 0.890 1.00 31.44 H new ATOM 0 HA ALA A 113 5.128 -0.963 -0.524 1.00 30.21 H new ATOM 0 HB1 ALA A 113 4.088 -2.639 -2.012 1.00 51.01 H new ATOM 0 HB2 ALA A 113 5.743 -3.104 -1.552 1.00 51.01 H new ATOM 0 HB3 ALA A 113 4.349 -3.890 -0.773 1.00 51.01 H new ATOM 1064 N ARG A 114 2.827 -2.422 1.290 1.00 52.21 N ATOM 1065 CA ARG A 114 1.497 -2.257 1.853 1.00 11.11 C ATOM 1066 C ARG A 114 1.396 -0.928 2.605 1.00 41.22 C ATOM 1067 O ARG A 114 0.429 -0.180 2.449 1.00 53.51 O ATOM 1068 CB ARG A 114 1.197 -3.428 2.789 1.00 40.22 C ATOM 1069 CG ARG A 114 -0.221 -3.451 3.323 1.00 43.53 C ATOM 1070 CD ARG A 114 -0.437 -4.612 4.277 1.00 50.41 C ATOM 1071 NE ARG A 114 -0.463 -5.900 3.579 1.00 21.41 N ATOM 1072 CZ ARG A 114 -1.238 -6.928 3.939 1.00 71.20 C ATOM 1073 NH1 ARG A 114 -2.026 -6.826 5.004 1.00 43.11 N ATOM 1074 NH2 ARG A 114 -1.214 -8.057 3.239 1.00 33.44 N ATOM 0 H ARG A 114 3.346 -3.214 1.669 1.00 52.21 H new ATOM 0 HA ARG A 114 0.763 -2.245 1.047 1.00 11.11 H new ATOM 0 HB2 ARG A 114 1.388 -4.361 2.258 1.00 40.22 H new ATOM 0 HB3 ARG A 114 1.889 -3.392 3.630 1.00 40.22 H new ATOM 0 HG2 ARG A 114 -0.433 -2.513 3.836 1.00 43.53 H new ATOM 0 HG3 ARG A 114 -0.923 -3.526 2.492 1.00 43.53 H new ATOM 0 HD2 ARG A 114 0.357 -4.620 5.023 1.00 50.41 H new ATOM 0 HD3 ARG A 114 -1.376 -4.471 4.812 1.00 50.41 H new ATOM 0 HE ARG A 114 0.147 -6.019 2.770 1.00 21.41 H new ATOM 0 HH11 ARG A 114 -2.040 -5.963 5.547 1.00 43.11 H new ATOM 0 HH12 ARG A 114 -2.617 -7.611 5.278 1.00 43.11 H new ATOM 0 HH21 ARG A 114 -0.604 -8.140 2.426 1.00 33.44 H new ATOM 0 HH22 ARG A 114 -1.806 -8.841 3.515 1.00 33.44 H new ATOM 1088 N ILE A 115 2.406 -0.647 3.415 1.00 34.51 N ATOM 1089 CA ILE A 115 2.491 0.609 4.152 1.00 73.13 C ATOM 1090 C ILE A 115 2.588 1.809 3.203 1.00 12.53 C ATOM 1091 O ILE A 115 1.877 2.800 3.371 1.00 75.32 O ATOM 1092 CB ILE A 115 3.693 0.585 5.122 1.00 43.01 C ATOM 1093 CG1 ILE A 115 3.406 -0.398 6.261 1.00 33.45 C ATOM 1094 CG2 ILE A 115 3.992 1.977 5.667 1.00 34.12 C ATOM 1095 CD1 ILE A 115 4.563 -0.596 7.211 1.00 75.02 C ATOM 0 H ILE A 115 3.188 -1.280 3.581 1.00 34.51 H new ATOM 0 HA ILE A 115 1.575 0.719 4.733 1.00 73.13 H new ATOM 0 HB ILE A 115 4.578 0.255 4.578 1.00 43.01 H new ATOM 0 HG12 ILE A 115 2.544 -0.042 6.825 1.00 33.45 H new ATOM 0 HG13 ILE A 115 3.132 -1.362 5.834 1.00 33.45 H new ATOM 0 HG21 ILE A 115 4.843 1.927 6.346 1.00 34.12 H new ATOM 0 HG22 ILE A 115 4.226 2.649 4.841 1.00 34.12 H new ATOM 0 HG23 ILE A 115 3.121 2.352 6.204 1.00 34.12 H new ATOM 0 HD11 ILE A 115 4.279 -1.306 7.988 1.00 75.02 H new ATOM 0 HD12 ILE A 115 5.422 -0.983 6.663 1.00 75.02 H new ATOM 0 HD13 ILE A 115 4.825 0.358 7.669 1.00 75.02 H new ATOM 1107 N GLU A 116 3.450 1.714 2.202 1.00 30.53 N ATOM 1108 CA GLU A 116 3.608 2.781 1.220 1.00 54.42 C ATOM 1109 C GLU A 116 2.300 3.062 0.487 1.00 22.12 C ATOM 1110 O GLU A 116 1.972 4.216 0.199 1.00 3.01 O ATOM 1111 CB GLU A 116 4.706 2.398 0.239 1.00 23.03 C ATOM 1112 CG GLU A 116 6.053 2.243 0.915 1.00 21.10 C ATOM 1113 CD GLU A 116 6.703 3.574 1.224 1.00 11.41 C ATOM 1114 OE1 GLU A 116 6.324 4.212 2.230 1.00 13.53 O ATOM 1115 OE2 GLU A 116 7.593 3.997 0.456 1.00 54.33 O ATOM 0 H GLU A 116 4.054 0.907 2.046 1.00 30.53 H new ATOM 0 HA GLU A 116 3.888 3.698 1.739 1.00 54.42 H new ATOM 0 HB2 GLU A 116 4.440 1.463 -0.254 1.00 23.03 H new ATOM 0 HB3 GLU A 116 4.777 3.159 -0.538 1.00 23.03 H new ATOM 0 HG2 GLU A 116 5.929 1.680 1.840 1.00 21.10 H new ATOM 0 HG3 GLU A 116 6.713 1.660 0.273 1.00 21.10 H new ATOM 1122 N ALA A 117 1.550 2.007 0.198 1.00 32.34 N ATOM 1123 CA ALA A 117 0.248 2.146 -0.439 1.00 3.20 C ATOM 1124 C ALA A 117 -0.709 2.927 0.454 1.00 14.34 C ATOM 1125 O ALA A 117 -1.377 3.862 0.006 1.00 35.13 O ATOM 1126 CB ALA A 117 -0.330 0.779 -0.765 1.00 41.44 C ATOM 0 H ALA A 117 1.822 1.044 0.395 1.00 32.34 H new ATOM 0 HA ALA A 117 0.379 2.701 -1.368 1.00 3.20 H new ATOM 0 HB1 ALA A 117 -1.303 0.900 -1.241 1.00 41.44 H new ATOM 0 HB2 ALA A 117 0.342 0.252 -1.442 1.00 41.44 H new ATOM 0 HB3 ALA A 117 -0.444 0.204 0.154 1.00 41.44 H new ATOM 1132 N ALA A 118 -0.747 2.546 1.725 1.00 4.33 N ATOM 1133 CA ALA A 118 -1.605 3.199 2.702 1.00 42.32 C ATOM 1134 C ALA A 118 -1.161 4.639 2.948 1.00 4.34 C ATOM 1135 O ALA A 118 -1.986 5.520 3.189 1.00 22.12 O ATOM 1136 CB ALA A 118 -1.602 2.413 4.000 1.00 51.25 C ATOM 0 H ALA A 118 -0.188 1.782 2.104 1.00 4.33 H new ATOM 0 HA ALA A 118 -2.620 3.226 2.305 1.00 42.32 H new ATOM 0 HB1 ALA A 118 -2.246 2.908 4.727 1.00 51.25 H new ATOM 0 HB2 ALA A 118 -1.971 1.404 3.815 1.00 51.25 H new ATOM 0 HB3 ALA A 118 -0.586 2.362 4.392 1.00 51.25 H new ATOM 1142 N ALA A 119 0.144 4.873 2.874 1.00 53.33 N ATOM 1143 CA ALA A 119 0.699 6.207 3.075 1.00 43.11 C ATOM 1144 C ALA A 119 0.173 7.178 2.025 1.00 30.11 C ATOM 1145 O ALA A 119 -0.180 8.317 2.337 1.00 52.52 O ATOM 1146 CB ALA A 119 2.220 6.161 3.046 1.00 24.13 C ATOM 0 H ALA A 119 0.840 4.154 2.676 1.00 53.33 H new ATOM 0 HA ALA A 119 0.382 6.563 4.055 1.00 43.11 H new ATOM 0 HB1 ALA A 119 2.617 7.165 3.197 1.00 24.13 H new ATOM 0 HB2 ALA A 119 2.579 5.505 3.839 1.00 24.13 H new ATOM 0 HB3 ALA A 119 2.554 5.780 2.081 1.00 24.13 H new ATOM 1152 N THR A 120 0.109 6.716 0.782 1.00 22.21 N ATOM 1153 CA THR A 120 -0.412 7.527 -0.305 1.00 24.41 C ATOM 1154 C THR A 120 -1.905 7.785 -0.115 1.00 24.20 C ATOM 1155 O THR A 120 -2.406 8.863 -0.433 1.00 4.44 O ATOM 1156 CB THR A 120 -0.157 6.855 -1.668 1.00 64.15 C ATOM 1157 OG1 THR A 120 1.247 6.607 -1.818 1.00 2.34 O ATOM 1158 CG2 THR A 120 -0.646 7.727 -2.820 1.00 32.41 C ATOM 0 H THR A 120 0.412 5.783 0.504 1.00 22.21 H new ATOM 0 HA THR A 120 0.113 8.482 -0.291 1.00 24.41 H new ATOM 0 HB THR A 120 -0.711 5.917 -1.696 1.00 64.15 H new ATOM 0 HG1 THR A 120 1.511 5.860 -1.241 1.00 2.34 H new ATOM 0 HG21 THR A 120 -0.451 7.223 -3.766 1.00 32.41 H new ATOM 0 HG22 THR A 120 -1.717 7.901 -2.716 1.00 32.41 H new ATOM 0 HG23 THR A 120 -0.120 8.682 -2.802 1.00 32.41 H new ATOM 1166 N ALA A 121 -2.605 6.796 0.423 1.00 74.34 N ATOM 1167 CA ALA A 121 -4.019 6.945 0.725 1.00 73.51 C ATOM 1168 C ALA A 121 -4.227 8.018 1.790 1.00 21.44 C ATOM 1169 O ALA A 121 -5.086 8.885 1.645 1.00 41.44 O ATOM 1170 CB ALA A 121 -4.608 5.623 1.183 1.00 3.20 C ATOM 0 H ALA A 121 -2.216 5.883 0.659 1.00 74.34 H new ATOM 0 HA ALA A 121 -4.534 7.255 -0.184 1.00 73.51 H new ATOM 0 HB1 ALA A 121 -5.667 5.754 1.405 1.00 3.20 H new ATOM 0 HB2 ALA A 121 -4.491 4.880 0.394 1.00 3.20 H new ATOM 0 HB3 ALA A 121 -4.089 5.285 2.080 1.00 3.20 H new ATOM 1176 N LEU A 122 -3.418 7.966 2.847 1.00 3.42 N ATOM 1177 CA LEU A 122 -3.512 8.933 3.941 1.00 23.40 C ATOM 1178 C LEU A 122 -3.325 10.358 3.436 1.00 30.32 C ATOM 1179 O LEU A 122 -4.151 11.232 3.696 1.00 51.50 O ATOM 1180 CB LEU A 122 -2.461 8.649 5.019 1.00 32.14 C ATOM 1181 CG LEU A 122 -2.548 7.284 5.700 1.00 5.31 C ATOM 1182 CD1 LEU A 122 -1.532 7.195 6.823 1.00 24.01 C ATOM 1183 CD2 LEU A 122 -3.951 7.026 6.226 1.00 24.24 C ATOM 0 H LEU A 122 -2.689 7.263 2.970 1.00 3.42 H new ATOM 0 HA LEU A 122 -4.509 8.831 4.370 1.00 23.40 H new ATOM 0 HB2 LEU A 122 -1.473 8.745 4.569 1.00 32.14 H new ATOM 0 HB3 LEU A 122 -2.539 9.420 5.785 1.00 32.14 H new ATOM 0 HG LEU A 122 -2.322 6.516 4.960 1.00 5.31 H new ATOM 0 HD11 LEU A 122 -1.603 6.218 7.301 1.00 24.01 H new ATOM 0 HD12 LEU A 122 -0.529 7.329 6.418 1.00 24.01 H new ATOM 0 HD13 LEU A 122 -1.733 7.974 7.558 1.00 24.01 H new ATOM 0 HD21 LEU A 122 -3.986 6.048 6.706 1.00 24.24 H new ATOM 0 HD22 LEU A 122 -4.215 7.796 6.951 1.00 24.24 H new ATOM 0 HD23 LEU A 122 -4.660 7.049 5.398 1.00 24.24 H new ATOM 1195 N ARG A 123 -2.245 10.581 2.696 1.00 71.12 N ATOM 1196 CA ARG A 123 -1.913 11.918 2.214 1.00 21.03 C ATOM 1197 C ARG A 123 -2.888 12.385 1.138 1.00 63.45 C ATOM 1198 O ARG A 123 -2.863 13.545 0.729 1.00 4.32 O ATOM 1199 CB ARG A 123 -0.477 11.962 1.688 1.00 12.22 C ATOM 1200 CG ARG A 123 -0.206 11.013 0.535 1.00 63.45 C ATOM 1201 CD ARG A 123 1.250 11.080 0.099 1.00 12.25 C ATOM 1202 NE ARG A 123 1.621 9.956 -0.759 1.00 24.03 N ATOM 1203 CZ ARG A 123 2.532 10.021 -1.729 1.00 44.14 C ATOM 1204 NH1 ARG A 123 3.153 11.168 -1.990 1.00 41.32 N ATOM 1205 NH2 ARG A 123 2.819 8.931 -2.432 1.00 23.45 N ATOM 0 H ARG A 123 -1.585 9.855 2.417 1.00 71.12 H new ATOM 0 HA ARG A 123 -1.998 12.601 3.059 1.00 21.03 H new ATOM 0 HB2 ARG A 123 -0.251 12.979 1.367 1.00 12.22 H new ATOM 0 HB3 ARG A 123 0.205 11.726 2.505 1.00 12.22 H new ATOM 0 HG2 ARG A 123 -0.453 9.994 0.833 1.00 63.45 H new ATOM 0 HG3 ARG A 123 -0.852 11.264 -0.306 1.00 63.45 H new ATOM 0 HD2 ARG A 123 1.426 12.015 -0.433 1.00 12.25 H new ATOM 0 HD3 ARG A 123 1.891 11.090 0.980 1.00 12.25 H new ATOM 0 HE ARG A 123 1.152 9.064 -0.605 1.00 24.03 H new ATOM 0 HH11 ARG A 123 2.932 12.003 -1.447 1.00 41.32 H new ATOM 0 HH12 ARG A 123 3.850 11.213 -2.734 1.00 41.32 H new ATOM 0 HH21 ARG A 123 2.343 8.052 -2.228 1.00 23.45 H new ATOM 0 HH22 ARG A 123 3.515 8.973 -3.176 1.00 23.45 H new ATOM 1219 N SER A 124 -3.734 11.478 0.673 1.00 62.33 N ATOM 1220 CA SER A 124 -4.786 11.834 -0.260 1.00 24.04 C ATOM 1221 C SER A 124 -5.969 12.405 0.511 1.00 73.30 C ATOM 1222 O SER A 124 -6.711 13.249 0.004 1.00 23.43 O ATOM 1223 CB SER A 124 -5.218 10.606 -1.063 1.00 74.43 C ATOM 1224 OG SER A 124 -6.066 10.952 -2.147 1.00 22.11 O ATOM 0 H SER A 124 -3.710 10.491 0.928 1.00 62.33 H new ATOM 0 HA SER A 124 -4.414 12.585 -0.957 1.00 24.04 H new ATOM 0 HB2 SER A 124 -4.335 10.092 -1.443 1.00 74.43 H new ATOM 0 HB3 SER A 124 -5.736 9.907 -0.406 1.00 74.43 H new ATOM 0 HG SER A 124 -5.651 10.672 -2.989 1.00 22.11 H new ATOM 1230 N PHE A 125 -6.119 11.956 1.753 1.00 15.40 N ATOM 1231 CA PHE A 125 -7.204 12.422 2.604 1.00 63.33 C ATOM 1232 C PHE A 125 -6.810 13.722 3.287 1.00 0.12 C ATOM 1233 O PHE A 125 -7.504 14.734 3.167 1.00 10.33 O ATOM 1234 CB PHE A 125 -7.570 11.377 3.665 1.00 73.43 C ATOM 1235 CG PHE A 125 -8.040 10.064 3.103 1.00 65.41 C ATOM 1236 CD1 PHE A 125 -9.042 10.017 2.146 1.00 33.11 C ATOM 1237 CD2 PHE A 125 -7.482 8.875 3.543 1.00 40.24 C ATOM 1238 CE1 PHE A 125 -9.476 8.809 1.641 1.00 32.12 C ATOM 1239 CE2 PHE A 125 -7.913 7.666 3.043 1.00 32.14 C ATOM 1240 CZ PHE A 125 -8.910 7.633 2.089 1.00 41.21 C ATOM 0 H PHE A 125 -5.503 11.271 2.191 1.00 15.40 H new ATOM 0 HA PHE A 125 -8.075 12.589 1.971 1.00 63.33 H new ATOM 0 HB2 PHE A 125 -6.700 11.198 4.297 1.00 73.43 H new ATOM 0 HB3 PHE A 125 -8.351 11.785 4.306 1.00 73.43 H new ATOM 0 HD1 PHE A 125 -9.487 10.935 1.792 1.00 33.11 H new ATOM 0 HD2 PHE A 125 -6.700 8.896 4.287 1.00 40.24 H new ATOM 0 HE1 PHE A 125 -10.258 8.784 0.896 1.00 32.12 H new ATOM 0 HE2 PHE A 125 -7.472 6.746 3.397 1.00 32.14 H new ATOM 0 HZ PHE A 125 -9.247 6.686 1.693 1.00 41.21 H new ATOM 1250 N ILE A 126 -5.685 13.697 3.987 1.00 42.23 N ATOM 1251 CA ILE A 126 -5.205 14.875 4.687 1.00 22.13 C ATOM 1252 C ILE A 126 -3.773 15.193 4.283 1.00 23.11 C ATOM 1253 O ILE A 126 -2.930 14.305 4.169 1.00 74.21 O ATOM 1254 CB ILE A 126 -5.294 14.762 6.238 1.00 32.41 C ATOM 1255 CG1 ILE A 126 -4.319 13.718 6.816 1.00 12.42 C ATOM 1256 CG2 ILE A 126 -6.723 14.457 6.673 1.00 42.21 C ATOM 1257 CD1 ILE A 126 -4.714 12.274 6.582 1.00 3.41 C ATOM 0 H ILE A 126 -5.090 12.874 4.084 1.00 42.23 H new ATOM 0 HA ILE A 126 -5.870 15.686 4.389 1.00 22.13 H new ATOM 0 HB ILE A 126 -4.996 15.730 6.641 1.00 32.41 H new ATOM 0 HG12 ILE A 126 -3.333 13.884 6.382 1.00 12.42 H new ATOM 0 HG13 ILE A 126 -4.227 13.884 7.889 1.00 12.42 H new ATOM 0 HG21 ILE A 126 -6.764 14.382 7.760 1.00 42.21 H new ATOM 0 HG22 ILE A 126 -7.384 15.257 6.339 1.00 42.21 H new ATOM 0 HG23 ILE A 126 -7.044 13.514 6.232 1.00 42.21 H new ATOM 0 HD11 ILE A 126 -3.967 11.616 7.025 1.00 3.41 H new ATOM 0 HD12 ILE A 126 -5.684 12.083 7.042 1.00 3.41 H new ATOM 0 HD13 ILE A 126 -4.776 12.083 5.511 1.00 3.41 H new ATOM 1269 N GLN A 127 -3.519 16.464 4.040 1.00 65.32 N ATOM 1270 CA GLN A 127 -2.184 16.925 3.704 1.00 75.33 C ATOM 1271 C GLN A 127 -1.478 17.395 4.961 1.00 44.41 C ATOM 1272 O GLN A 127 -2.118 17.628 5.990 1.00 12.01 O ATOM 1273 CB GLN A 127 -2.234 18.061 2.673 1.00 15.02 C ATOM 1274 CG GLN A 127 -2.742 19.400 3.212 1.00 2.24 C ATOM 1275 CD GLN A 127 -4.174 19.350 3.723 1.00 5.11 C ATOM 1276 OE1 GLN A 127 -5.123 19.572 2.971 1.00 32.32 O ATOM 1277 NE2 GLN A 127 -4.341 19.053 5.005 1.00 22.11 N ATOM 0 H GLN A 127 -4.224 17.201 4.069 1.00 65.32 H new ATOM 0 HA GLN A 127 -1.632 16.095 3.263 1.00 75.33 H new ATOM 0 HB2 GLN A 127 -1.233 18.206 2.266 1.00 15.02 H new ATOM 0 HB3 GLN A 127 -2.873 17.753 1.846 1.00 15.02 H new ATOM 0 HG2 GLN A 127 -2.088 19.728 4.020 1.00 2.24 H new ATOM 0 HG3 GLN A 127 -2.673 20.149 2.423 1.00 2.24 H new ATOM 0 HE21 GLN A 127 -3.530 18.875 5.597 1.00 22.11 H new ATOM 0 HE22 GLN A 127 -5.281 19.002 5.399 1.00 22.11 H new ATOM 1286 N PHE A 128 -0.172 17.540 4.886 1.00 43.42 N ATOM 1287 CA PHE A 128 0.599 17.933 6.048 1.00 13.52 C ATOM 1288 C PHE A 128 1.408 19.187 5.761 1.00 73.40 C ATOM 1289 O PHE A 128 1.686 19.976 6.662 1.00 62.22 O ATOM 1290 CB PHE A 128 1.513 16.785 6.469 1.00 64.12 C ATOM 1291 CG PHE A 128 0.771 15.494 6.665 1.00 24.10 C ATOM 1292 CD1 PHE A 128 0.042 15.268 7.821 1.00 31.51 C ATOM 1293 CD2 PHE A 128 0.795 14.509 5.690 1.00 32.24 C ATOM 1294 CE1 PHE A 128 -0.646 14.083 8.002 1.00 33.21 C ATOM 1295 CE2 PHE A 128 0.110 13.322 5.866 1.00 22.44 C ATOM 1296 CZ PHE A 128 -0.610 13.108 7.025 1.00 71.12 C ATOM 0 H PHE A 128 0.376 17.393 4.038 1.00 43.42 H new ATOM 0 HA PHE A 128 -0.086 18.159 6.865 1.00 13.52 H new ATOM 0 HB2 PHE A 128 2.285 16.644 5.712 1.00 64.12 H new ATOM 0 HB3 PHE A 128 2.021 17.052 7.396 1.00 64.12 H new ATOM 0 HD1 PHE A 128 0.011 16.026 8.589 1.00 31.51 H new ATOM 0 HD2 PHE A 128 1.356 14.671 4.782 1.00 32.24 H new ATOM 0 HE1 PHE A 128 -1.212 13.920 8.907 1.00 33.21 H new ATOM 0 HE2 PHE A 128 0.138 12.563 5.098 1.00 22.44 H new ATOM 0 HZ PHE A 128 -1.144 12.180 7.167 1.00 71.12 H new ATOM 1306 N LYS A 129 1.775 19.372 4.502 1.00 10.35 N ATOM 1307 CA LYS A 129 2.536 20.542 4.099 1.00 32.43 C ATOM 1308 C LYS A 129 1.636 21.553 3.395 1.00 61.31 C ATOM 1309 O LYS A 129 0.437 21.323 3.233 1.00 41.42 O ATOM 1310 CB LYS A 129 3.689 20.136 3.179 1.00 4.30 C ATOM 1311 CG LYS A 129 4.628 19.110 3.794 1.00 23.14 C ATOM 1312 CD LYS A 129 5.255 19.620 5.084 1.00 62.24 C ATOM 1313 CE LYS A 129 6.209 18.598 5.681 1.00 3.54 C ATOM 1314 NZ LYS A 129 7.347 18.293 4.771 1.00 40.11 N ATOM 0 H LYS A 129 1.558 18.726 3.743 1.00 10.35 H new ATOM 0 HA LYS A 129 2.947 21.008 4.995 1.00 32.43 H new ATOM 0 HB2 LYS A 129 3.279 19.732 2.254 1.00 4.30 H new ATOM 0 HB3 LYS A 129 4.260 21.025 2.913 1.00 4.30 H new ATOM 0 HG2 LYS A 129 4.080 18.190 3.995 1.00 23.14 H new ATOM 0 HG3 LYS A 129 5.414 18.863 3.081 1.00 23.14 H new ATOM 0 HD2 LYS A 129 5.791 20.548 4.887 1.00 62.24 H new ATOM 0 HD3 LYS A 129 4.471 19.852 5.804 1.00 62.24 H new ATOM 0 HE2 LYS A 129 6.594 18.973 6.629 1.00 3.54 H new ATOM 0 HE3 LYS A 129 5.665 17.679 5.900 1.00 3.54 H new ATOM 0 HZ1 LYS A 129 8.079 17.771 5.294 1.00 40.11 H new ATOM 0 HZ2 LYS A 129 7.010 17.714 3.976 1.00 40.11 H new ATOM 0 HZ3 LYS A 129 7.748 19.181 4.407 1.00 40.11 H new ATOM 1328 N ASP A 130 2.225 22.658 2.964 1.00 40.55 N ATOM 1329 CA ASP A 130 1.486 23.727 2.295 1.00 32.13 C ATOM 1330 C ASP A 130 1.469 23.520 0.783 1.00 42.05 C ATOM 1331 O ASP A 130 1.317 24.468 0.009 1.00 24.45 O ATOM 1332 CB ASP A 130 2.097 25.091 2.641 1.00 62.52 C ATOM 1333 CG ASP A 130 3.587 25.142 2.378 1.00 5.21 C ATOM 1334 OD1 ASP A 130 4.351 24.548 3.170 1.00 55.01 O ATOM 1335 OD2 ASP A 130 4.009 25.775 1.388 1.00 35.42 O ATOM 0 H ASP A 130 3.223 22.842 3.065 1.00 40.55 H new ATOM 0 HA ASP A 130 0.456 23.701 2.650 1.00 32.13 H new ATOM 0 HB2 ASP A 130 1.601 25.866 2.057 1.00 62.52 H new ATOM 0 HB3 ASP A 130 1.909 25.314 3.691 1.00 62.52 H new ATOM 1340 N GLY A 131 1.590 22.267 0.368 1.00 22.03 N ATOM 1341 CA GLY A 131 1.535 21.935 -1.042 1.00 63.40 C ATOM 1342 C GLY A 131 0.107 21.875 -1.552 1.00 2.04 C ATOM 1343 O GLY A 131 -0.332 20.853 -2.084 1.00 0.33 O ATOM 0 H GLY A 131 1.726 21.468 0.988 1.00 22.03 H new ATOM 0 HA2 GLY A 131 2.094 22.677 -1.612 1.00 63.40 H new ATOM 0 HA3 GLY A 131 2.021 20.974 -1.208 1.00 63.40 H new ATOM 1347 N ALA A 132 -0.614 22.974 -1.378 1.00 14.14 N ATOM 1348 CA ALA A 132 -2.006 23.069 -1.790 1.00 42.32 C ATOM 1349 C ALA A 132 -2.126 23.147 -3.308 1.00 54.11 C ATOM 1350 O ALA A 132 -1.120 23.083 -4.020 1.00 21.11 O ATOM 1351 CB ALA A 132 -2.653 24.285 -1.142 1.00 74.31 C ATOM 0 H ALA A 132 -0.250 23.824 -0.947 1.00 14.14 H new ATOM 0 HA ALA A 132 -2.526 22.169 -1.461 1.00 42.32 H new ATOM 0 HB1 ALA A 132 -3.695 24.352 -1.454 1.00 74.31 H new ATOM 0 HB2 ALA A 132 -2.604 24.189 -0.057 1.00 74.31 H new ATOM 0 HB3 ALA A 132 -2.124 25.187 -1.450 1.00 74.31 H new ATOM 1357 N VAL A 133 -3.356 23.283 -3.798 1.00 42.35 N ATOM 1358 CA VAL A 133 -3.613 23.371 -5.231 1.00 43.15 C ATOM 1359 C VAL A 133 -2.794 24.488 -5.871 1.00 52.34 C ATOM 1360 O VAL A 133 -2.887 25.650 -5.469 1.00 0.20 O ATOM 1361 CB VAL A 133 -5.114 23.604 -5.528 1.00 32.45 C ATOM 1362 CG1 VAL A 133 -5.351 23.803 -7.018 1.00 54.41 C ATOM 1363 CG2 VAL A 133 -5.943 22.439 -5.015 1.00 24.21 C ATOM 0 H VAL A 133 -4.194 23.335 -3.219 1.00 42.35 H new ATOM 0 HA VAL A 133 -3.315 22.415 -5.662 1.00 43.15 H new ATOM 0 HB VAL A 133 -5.424 24.511 -5.009 1.00 32.45 H new ATOM 0 HG11 VAL A 133 -6.414 23.965 -7.199 1.00 54.41 H new ATOM 0 HG12 VAL A 133 -4.788 24.670 -7.363 1.00 54.41 H new ATOM 0 HG13 VAL A 133 -5.021 22.917 -7.560 1.00 54.41 H new ATOM 0 HG21 VAL A 133 -6.996 22.618 -5.232 1.00 24.21 H new ATOM 0 HG22 VAL A 133 -5.623 21.520 -5.507 1.00 24.21 H new ATOM 0 HG23 VAL A 133 -5.806 22.341 -3.938 1.00 24.21 H new ATOM 1373 N LEU A 134 -1.967 24.114 -6.841 1.00 41.04 N ATOM 1374 CA LEU A 134 -1.182 25.074 -7.602 1.00 33.11 C ATOM 1375 C LEU A 134 -2.106 25.999 -8.386 1.00 71.31 C ATOM 1376 O LEU A 134 -2.654 25.621 -9.420 1.00 52.14 O ATOM 1377 CB LEU A 134 -0.226 24.342 -8.551 1.00 21.22 C ATOM 1378 CG LEU A 134 0.706 25.239 -9.369 1.00 71.31 C ATOM 1379 CD1 LEU A 134 1.609 26.050 -8.449 1.00 24.35 C ATOM 1380 CD2 LEU A 134 1.528 24.396 -10.330 1.00 31.12 C ATOM 0 H LEU A 134 -1.824 23.143 -7.119 1.00 41.04 H new ATOM 0 HA LEU A 134 -0.591 25.675 -6.911 1.00 33.11 H new ATOM 0 HB2 LEU A 134 0.383 23.653 -7.965 1.00 21.22 H new ATOM 0 HB3 LEU A 134 -0.817 23.738 -9.240 1.00 21.22 H new ATOM 0 HG LEU A 134 0.104 25.937 -9.950 1.00 71.31 H new ATOM 0 HD11 LEU A 134 2.265 26.682 -9.048 1.00 24.35 H new ATOM 0 HD12 LEU A 134 0.998 26.675 -7.798 1.00 24.35 H new ATOM 0 HD13 LEU A 134 2.211 25.374 -7.842 1.00 24.35 H new ATOM 0 HD21 LEU A 134 2.188 25.043 -10.908 1.00 31.12 H new ATOM 0 HD22 LEU A 134 2.125 23.679 -9.766 1.00 31.12 H new ATOM 0 HD23 LEU A 134 0.861 23.861 -11.006 1.00 31.12 H new ATOM 1392 N SER A 135 -2.290 27.198 -7.870 1.00 42.13 N ATOM 1393 CA SER A 135 -3.202 28.156 -8.465 1.00 5.32 C ATOM 1394 C SER A 135 -2.617 29.558 -8.314 1.00 75.22 C ATOM 1395 O SER A 135 -1.858 29.816 -7.378 1.00 30.24 O ATOM 1396 CB SER A 135 -4.568 28.046 -7.772 1.00 62.52 C ATOM 1397 OG SER A 135 -5.577 28.750 -8.474 1.00 54.50 O ATOM 0 H SER A 135 -1.815 27.535 -7.032 1.00 42.13 H new ATOM 0 HA SER A 135 -3.337 27.950 -9.527 1.00 5.32 H new ATOM 0 HB2 SER A 135 -4.849 26.996 -7.689 1.00 62.52 H new ATOM 0 HB3 SER A 135 -4.492 28.437 -6.757 1.00 62.52 H new ATOM 0 HG SER A 135 -5.773 28.288 -9.316 1.00 54.50 H new ATOM 1403 N PRO A 136 -2.929 30.484 -9.234 1.00 45.42 N ATOM 1404 CA PRO A 136 -2.374 31.842 -9.202 1.00 40.51 C ATOM 1405 C PRO A 136 -3.037 32.744 -8.168 1.00 72.45 C ATOM 1406 O PRO A 136 -3.002 33.972 -8.282 1.00 55.32 O ATOM 1407 CB PRO A 136 -2.640 32.361 -10.611 1.00 3.31 C ATOM 1408 CG PRO A 136 -3.877 31.648 -11.037 1.00 74.22 C ATOM 1409 CD PRO A 136 -3.822 30.285 -10.394 1.00 2.33 C ATOM 0 HA PRO A 136 -1.322 31.835 -8.917 1.00 40.51 H new ATOM 0 HB2 PRO A 136 -2.781 33.442 -10.617 1.00 3.31 H new ATOM 0 HB3 PRO A 136 -1.806 32.145 -11.279 1.00 3.31 H new ATOM 0 HG2 PRO A 136 -4.767 32.191 -10.721 1.00 74.22 H new ATOM 0 HG3 PRO A 136 -3.923 31.564 -12.123 1.00 74.22 H new ATOM 0 HD2 PRO A 136 -4.811 29.947 -10.085 1.00 2.33 H new ATOM 0 HD3 PRO A 136 -3.428 29.534 -11.079 1.00 2.33 H new ATOM 1417 N LEU A 137 -3.601 32.127 -7.149 1.00 33.34 N ATOM 1418 CA LEU A 137 -4.258 32.847 -6.076 1.00 13.40 C ATOM 1419 C LEU A 137 -3.210 33.420 -5.138 1.00 13.31 C ATOM 1420 O LEU A 137 -2.646 32.707 -4.307 1.00 23.45 O ATOM 1421 CB LEU A 137 -5.190 31.901 -5.322 1.00 74.52 C ATOM 1422 CG LEU A 137 -6.034 31.002 -6.220 1.00 41.51 C ATOM 1423 CD1 LEU A 137 -6.752 29.951 -5.390 1.00 53.44 C ATOM 1424 CD2 LEU A 137 -7.036 31.826 -7.016 1.00 64.41 C ATOM 0 H LEU A 137 -3.617 31.113 -7.041 1.00 33.34 H new ATOM 0 HA LEU A 137 -4.849 33.666 -6.487 1.00 13.40 H new ATOM 0 HB2 LEU A 137 -4.594 31.275 -4.659 1.00 74.52 H new ATOM 0 HB3 LEU A 137 -5.855 32.491 -4.691 1.00 74.52 H new ATOM 0 HG LEU A 137 -5.371 30.498 -6.923 1.00 41.51 H new ATOM 0 HD11 LEU A 137 -7.350 29.317 -6.044 1.00 53.44 H new ATOM 0 HD12 LEU A 137 -6.019 29.340 -4.864 1.00 53.44 H new ATOM 0 HD13 LEU A 137 -7.403 30.441 -4.666 1.00 53.44 H new ATOM 0 HD21 LEU A 137 -7.628 31.166 -7.650 1.00 64.41 H new ATOM 0 HD22 LEU A 137 -7.696 32.358 -6.331 1.00 64.41 H new ATOM 0 HD23 LEU A 137 -6.503 32.545 -7.638 1.00 64.41 H new ATOM 1436 N LYS A 138 -2.927 34.700 -5.303 1.00 3.24 N ATOM 1437 CA LYS A 138 -1.844 35.346 -4.581 1.00 4.44 C ATOM 1438 C LYS A 138 -2.303 36.668 -3.975 1.00 13.14 C ATOM 1439 O LYS A 138 -2.769 37.561 -4.686 1.00 32.40 O ATOM 1440 CB LYS A 138 -0.660 35.566 -5.530 1.00 24.52 C ATOM 1441 CG LYS A 138 -1.045 36.267 -6.826 1.00 5.32 C ATOM 1442 CD LYS A 138 0.123 36.363 -7.792 1.00 10.25 C ATOM 1443 CE LYS A 138 -0.254 37.147 -9.041 1.00 41.15 C ATOM 1444 NZ LYS A 138 -1.343 36.493 -9.817 1.00 74.01 N ATOM 0 H LYS A 138 -3.436 35.317 -5.936 1.00 3.24 H new ATOM 0 HA LYS A 138 -1.531 34.700 -3.761 1.00 4.44 H new ATOM 0 HB2 LYS A 138 0.101 36.156 -5.019 1.00 24.52 H new ATOM 0 HB3 LYS A 138 -0.210 34.602 -5.767 1.00 24.52 H new ATOM 0 HG2 LYS A 138 -1.864 35.727 -7.301 1.00 5.32 H new ATOM 0 HG3 LYS A 138 -1.412 37.268 -6.601 1.00 5.32 H new ATOM 0 HD2 LYS A 138 0.967 36.845 -7.299 1.00 10.25 H new ATOM 0 HD3 LYS A 138 0.448 35.361 -8.073 1.00 10.25 H new ATOM 0 HE2 LYS A 138 -0.568 38.151 -8.755 1.00 41.15 H new ATOM 0 HE3 LYS A 138 0.625 37.257 -9.676 1.00 41.15 H new ATOM 0 HZ1 LYS A 138 -1.470 36.989 -10.722 1.00 74.01 H new ATOM 0 HZ2 LYS A 138 -1.092 35.500 -9.998 1.00 74.01 H new ATOM 0 HZ3 LYS A 138 -2.229 36.533 -9.273 1.00 74.01 H new ATOM 1458 N PRO A 139 -2.228 36.790 -2.647 1.00 44.04 N ATOM 1459 CA PRO A 139 -2.535 38.026 -1.943 1.00 2.35 C ATOM 1460 C PRO A 139 -1.316 38.940 -1.849 1.00 13.33 C ATOM 1461 O PRO A 139 -0.206 38.487 -1.557 1.00 10.34 O ATOM 1462 CB PRO A 139 -2.961 37.553 -0.546 1.00 74.15 C ATOM 1463 CG PRO A 139 -2.676 36.078 -0.489 1.00 12.42 C ATOM 1464 CD PRO A 139 -1.867 35.731 -1.709 1.00 72.05 C ATOM 0 HA PRO A 139 -3.301 38.610 -2.453 1.00 2.35 H new ATOM 0 HB2 PRO A 139 -2.409 38.085 0.229 1.00 74.15 H new ATOM 0 HB3 PRO A 139 -4.019 37.750 -0.376 1.00 74.15 H new ATOM 0 HG2 PRO A 139 -2.128 35.827 0.419 1.00 12.42 H new ATOM 0 HG3 PRO A 139 -3.605 35.508 -0.469 1.00 12.42 H new ATOM 0 HD2 PRO A 139 -0.798 35.725 -1.497 1.00 72.05 H new ATOM 0 HD3 PRO A 139 -2.121 34.744 -2.096 1.00 72.05 H new ATOM 1472 N ALA A 140 -1.523 40.224 -2.097 1.00 3.24 N ATOM 1473 CA ALA A 140 -0.445 41.194 -2.038 1.00 34.10 C ATOM 1474 C ALA A 140 -0.566 42.039 -0.779 1.00 73.12 C ATOM 1475 O ALA A 140 -1.422 42.949 -0.756 1.00 37.44 O ATOM 1476 CB ALA A 140 -0.453 42.073 -3.281 1.00 55.12 C ATOM 1477 OXT ALA A 140 0.179 41.781 0.189 1.00 37.44 O ATOM 0 H ALA A 140 -2.432 40.618 -2.342 1.00 3.24 H new ATOM 0 HA ALA A 140 0.505 40.661 -2.004 1.00 34.10 H new ATOM 0 HB1 ALA A 140 0.361 42.795 -3.221 1.00 55.12 H new ATOM 0 HB2 ALA A 140 -0.323 41.452 -4.167 1.00 55.12 H new ATOM 0 HB3 ALA A 140 -1.403 42.603 -3.346 1.00 55.12 H new TER 1483 ALA A 140