USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 588 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 75 SER OG : rot 180:sc= 0.21 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.214 K(o=0.42,f=-0.63) USER MOD Set 2.1: A 67 CYS SG : rot 139:sc= 2 USER MOD Set 2.2: A 70 CYS SG : rot -44:sc= 1.38 USER MOD Set 2.3: A 72 LYS NZ :NH3+ -169:sc= 0.808 (180deg=0.00704) USER MOD Set 2.4: A 74 TYR OH : rot 63:sc= 1.29 USER MOD Set 2.5: A 83 HIS : no HE2:sc= 1.18 K(o=7,f=-1) USER MOD Set 2.6: A 88 HIS : no HD1:sc= 0.34 K(o=7,f=-0.47) USER MOD Set 3.1: A 66 HIS : no HE2:sc= 0.523 K(o=1.4,f=-2.6) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 167:sc= 0.875 (180deg=0) USER MOD Set 4.1: A 46 CYS SG : rot 80:sc= 0.733 USER MOD Set 4.2: A 51 HIS : no HE2:sc= 1.85 K(o=2.6,f=-9.2!) USER MOD Set 5.1: A 39 CYS SG : rot 150:sc= 2.33 USER MOD Set 5.2: A 42 CYS SG : rot -39:sc= 1.17 USER MOD Set 5.3: A 55 HIS : no HE2:sc= 0.828 K(o=4.3,f=-2.6) USER MOD Set 5.4: A 60 HIS : no HD1:sc=-0.00163 K(o=4.3,f=-2.4) USER MOD Set 6.1: A 22 LYS NZ :NH3+ 154:sc= 1.16 (180deg=-0.00113) USER MOD Set 6.2: A 26 ASN : amide:sc= 0.92 K(o=2.1,f=-8.3!) USER MOD Set 7.1: A 19 SER OG : rot 110:sc= 0.284 USER MOD Set 7.2: A 24 ASN : amide:sc= 0.287 K(o=0.57,f=-0.34) USER MOD Set 8.1: A 12 CYS SG : rot 145:sc= 2.33 USER MOD Set 8.2: A 15 CYS SG : rot -43:sc= 1.06 USER MOD Set 8.3: A 28 HIS : no HE2:sc= 0.261 K(o=3.7,f=-0.75) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.14) USER MOD Single : A 14 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.84) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 149:sc= 0.586 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LYS A 8 14.925 -20.860 26.605 1.00 0.00 N ATOM 69 CA LYS A 8 14.003 -20.012 25.821 1.00 0.00 C ATOM 70 C LYS A 8 14.742 -18.879 25.065 1.00 0.00 C ATOM 71 O LYS A 8 14.509 -17.703 25.349 1.00 0.00 O ATOM 72 CB LYS A 8 12.834 -19.526 26.699 1.00 0.00 C ATOM 73 CG LYS A 8 11.963 -20.683 27.209 1.00 0.00 C ATOM 74 CD LYS A 8 10.792 -20.160 28.052 1.00 0.00 C ATOM 75 CE LYS A 8 9.915 -21.326 28.524 1.00 0.00 C ATOM 76 NZ LYS A 8 8.760 -20.848 29.330 1.00 0.00 N ATOM 0 HA LYS A 8 13.562 -20.621 25.032 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.229 -18.970 27.549 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.216 -18.835 26.126 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.580 -21.255 26.364 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.570 -21.364 27.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.172 -19.610 28.913 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.196 -19.462 27.465 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.552 -21.882 27.660 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.514 -22.016 29.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.188 -21.662 29.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.108 -20.338 30.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.175 -20.209 28.754 1.00 0.00 H new ATOM 90 N PRO A 9 15.666 -19.212 24.139 1.00 0.00 N ATOM 91 CA PRO A 9 16.515 -18.253 23.419 1.00 0.00 C ATOM 92 C PRO A 9 15.765 -17.219 22.580 1.00 0.00 C ATOM 93 O PRO A 9 16.266 -16.112 22.376 1.00 0.00 O ATOM 94 CB PRO A 9 17.395 -19.105 22.499 1.00 0.00 C ATOM 95 CG PRO A 9 16.703 -20.457 22.394 1.00 0.00 C ATOM 96 CD PRO A 9 16.002 -20.568 23.738 1.00 0.00 C ATOM 0 HA PRO A 9 17.064 -17.662 24.152 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.498 -18.642 21.518 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.400 -19.211 22.908 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.998 -20.489 21.564 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.415 -21.267 22.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.106 -21.183 23.659 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.649 -21.042 24.476 1.00 0.00 H new ATOM 104 N TYR A 10 14.579 -17.567 22.083 1.00 0.00 N ATOM 105 CA TYR A 10 13.776 -16.694 21.230 1.00 0.00 C ATOM 106 C TYR A 10 12.878 -15.775 22.073 1.00 0.00 C ATOM 107 O TYR A 10 11.842 -16.208 22.577 1.00 0.00 O ATOM 108 CB TYR A 10 12.967 -17.557 20.258 1.00 0.00 C ATOM 109 CG TYR A 10 13.821 -18.422 19.357 1.00 0.00 C ATOM 110 CD1 TYR A 10 14.183 -19.716 19.773 1.00 0.00 C ATOM 111 CD2 TYR A 10 14.295 -17.919 18.131 1.00 0.00 C ATOM 112 CE1 TYR A 10 14.988 -20.525 18.955 1.00 0.00 C ATOM 113 CE2 TYR A 10 15.109 -18.725 17.311 1.00 0.00 C ATOM 114 CZ TYR A 10 15.449 -20.034 17.713 1.00 0.00 C ATOM 115 OH TYR A 10 16.232 -20.808 16.912 1.00 0.00 O ATOM 0 H TYR A 10 14.145 -18.472 22.263 1.00 0.00 H new ATOM 0 HA TYR A 10 14.430 -16.040 20.652 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.293 -18.196 20.828 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.345 -16.908 19.641 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.840 -20.089 20.727 1.00 0.00 H new ATOM 0 HD2 TYR A 10 14.035 -16.918 17.820 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.254 -21.522 19.275 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.474 -18.339 16.371 1.00 0.00 H new ATOM 0 HH TYR A 10 16.456 -20.313 16.097 1.00 0.00 H new ATOM 125 N LYS A 11 13.280 -14.510 22.230 1.00 0.00 N ATOM 126 CA LYS A 11 12.568 -13.472 23.008 1.00 0.00 C ATOM 127 C LYS A 11 11.708 -12.578 22.104 1.00 0.00 C ATOM 128 O LYS A 11 12.083 -12.308 20.960 1.00 0.00 O ATOM 129 CB LYS A 11 13.553 -12.596 23.813 1.00 0.00 C ATOM 130 CG LYS A 11 14.160 -13.223 25.081 1.00 0.00 C ATOM 131 CD LYS A 11 15.202 -14.314 24.807 1.00 0.00 C ATOM 132 CE LYS A 11 15.996 -14.714 26.058 1.00 0.00 C ATOM 133 NZ LYS A 11 15.186 -15.520 27.008 1.00 0.00 N ATOM 0 H LYS A 11 14.140 -14.161 21.807 1.00 0.00 H new ATOM 0 HA LYS A 11 11.913 -13.997 23.704 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.370 -12.308 23.152 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.037 -11.680 24.100 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.623 -12.436 25.676 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.356 -13.647 25.683 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.701 -15.194 24.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.894 -13.964 24.041 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.876 -15.284 25.760 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.354 -13.816 26.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.770 -15.780 27.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.369 -14.962 27.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.851 -16.383 26.534 1.00 0.00 H new ATOM 147 N CYS A 12 10.608 -12.055 22.643 1.00 0.00 N ATOM 148 CA CYS A 12 9.784 -11.038 21.997 1.00 0.00 C ATOM 149 C CYS A 12 10.469 -9.651 22.081 1.00 0.00 C ATOM 150 O CYS A 12 10.999 -9.285 23.137 1.00 0.00 O ATOM 151 CB CYS A 12 8.401 -11.076 22.652 1.00 0.00 C ATOM 152 SG CYS A 12 7.260 -9.852 21.942 1.00 0.00 S ATOM 0 H CYS A 12 10.259 -12.333 23.560 1.00 0.00 H new ATOM 0 HA CYS A 12 9.665 -11.238 20.932 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.976 -12.073 22.538 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.504 -10.894 23.722 1.00 0.00 H new ATOM 0 HG CYS A 12 6.055 -10.339 21.929 1.00 0.00 H new ATOM 157 N PRO A 13 10.476 -8.864 20.989 1.00 0.00 N ATOM 158 CA PRO A 13 10.986 -7.497 20.975 1.00 0.00 C ATOM 159 C PRO A 13 9.995 -6.497 21.601 1.00 0.00 C ATOM 160 O PRO A 13 10.365 -5.340 21.819 1.00 0.00 O ATOM 161 CB PRO A 13 11.248 -7.203 19.494 1.00 0.00 C ATOM 162 CG PRO A 13 10.176 -8.016 18.771 1.00 0.00 C ATOM 163 CD PRO A 13 9.990 -9.236 19.672 1.00 0.00 C ATOM 0 HA PRO A 13 11.887 -7.392 21.579 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.160 -6.139 19.275 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.251 -7.508 19.196 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.250 -7.452 18.662 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.496 -8.301 17.769 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.941 -9.528 19.716 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.543 -10.091 19.283 1.00 0.00 H new ATOM 171 N GLN A 14 8.749 -6.910 21.875 1.00 0.00 N ATOM 172 CA GLN A 14 7.666 -6.030 22.335 1.00 0.00 C ATOM 173 C GLN A 14 7.219 -6.293 23.781 1.00 0.00 C ATOM 174 O GLN A 14 6.745 -5.359 24.436 1.00 0.00 O ATOM 175 CB GLN A 14 6.466 -6.120 21.377 1.00 0.00 C ATOM 176 CG GLN A 14 6.874 -5.882 19.912 1.00 0.00 C ATOM 177 CD GLN A 14 5.793 -5.247 19.034 1.00 0.00 C ATOM 178 OE1 GLN A 14 4.934 -4.491 19.470 1.00 0.00 O ATOM 179 NE2 GLN A 14 5.815 -5.495 17.741 1.00 0.00 N ATOM 0 H GLN A 14 8.461 -7.884 21.781 1.00 0.00 H new ATOM 0 HA GLN A 14 8.074 -5.019 22.328 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.003 -7.102 21.469 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.715 -5.385 21.667 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.756 -5.242 19.896 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.164 -6.836 19.472 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.521 -6.121 17.354 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.126 -5.061 17.127 1.00 0.00 H new ATOM 188 N CYS A 15 7.372 -7.523 24.292 1.00 0.00 N ATOM 189 CA CYS A 15 7.011 -7.872 25.674 1.00 0.00 C ATOM 190 C CYS A 15 7.973 -8.893 26.324 1.00 0.00 C ATOM 191 O CYS A 15 8.980 -9.295 25.740 1.00 0.00 O ATOM 192 CB CYS A 15 5.531 -8.303 25.701 1.00 0.00 C ATOM 193 SG CYS A 15 5.281 -9.901 24.901 1.00 0.00 S ATOM 0 H CYS A 15 7.750 -8.305 23.758 1.00 0.00 H new ATOM 0 HA CYS A 15 7.127 -6.990 26.304 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.187 -8.356 26.734 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.924 -7.548 25.202 1.00 0.00 H new ATOM 0 HG CYS A 15 5.979 -9.952 23.805 1.00 0.00 H new ATOM 198 N SER A 16 7.673 -9.294 27.564 1.00 0.00 N ATOM 199 CA SER A 16 8.487 -10.214 28.381 1.00 0.00 C ATOM 200 C SER A 16 8.464 -11.681 27.909 1.00 0.00 C ATOM 201 O SER A 16 9.100 -12.539 28.527 1.00 0.00 O ATOM 202 CB SER A 16 8.043 -10.139 29.850 1.00 0.00 C ATOM 203 OG SER A 16 8.068 -8.797 30.323 1.00 0.00 O ATOM 0 H SER A 16 6.831 -8.980 28.046 1.00 0.00 H new ATOM 0 HA SER A 16 9.517 -9.878 28.265 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.036 -10.545 29.950 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.699 -10.757 30.464 1.00 0.00 H new ATOM 0 HG SER A 16 7.780 -8.775 31.259 1.00 0.00 H new ATOM 209 N TYR A 17 7.728 -11.993 26.837 1.00 0.00 N ATOM 210 CA TYR A 17 7.595 -13.338 26.271 1.00 0.00 C ATOM 211 C TYR A 17 8.917 -13.932 25.758 1.00 0.00 C ATOM 212 O TYR A 17 9.762 -13.229 25.193 1.00 0.00 O ATOM 213 CB TYR A 17 6.571 -13.289 25.132 1.00 0.00 C ATOM 214 CG TYR A 17 6.340 -14.618 24.428 1.00 0.00 C ATOM 215 CD1 TYR A 17 5.430 -15.543 24.975 1.00 0.00 C ATOM 216 CD2 TYR A 17 7.027 -14.932 23.237 1.00 0.00 C ATOM 217 CE1 TYR A 17 5.174 -16.759 24.313 1.00 0.00 C ATOM 218 CE2 TYR A 17 6.766 -16.142 22.566 1.00 0.00 C ATOM 219 CZ TYR A 17 5.821 -17.050 23.095 1.00 0.00 C ATOM 220 OH TYR A 17 5.506 -18.188 22.421 1.00 0.00 O ATOM 0 H TYR A 17 7.192 -11.293 26.324 1.00 0.00 H new ATOM 0 HA TYR A 17 7.266 -13.995 27.076 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.621 -12.935 25.531 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.901 -12.556 24.396 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.927 -15.319 25.904 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.756 -14.242 22.838 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.481 -17.470 24.739 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.287 -16.376 21.649 1.00 0.00 H new ATOM 0 HH TYR A 17 5.612 -18.038 21.458 1.00 0.00 H new ATOM 230 N ALA A 18 9.056 -15.253 25.898 1.00 0.00 N ATOM 231 CA ALA A 18 10.120 -16.045 25.287 1.00 0.00 C ATOM 232 C ALA A 18 9.672 -17.496 25.010 1.00 0.00 C ATOM 233 O ALA A 18 8.777 -18.016 25.681 1.00 0.00 O ATOM 234 CB ALA A 18 11.358 -16.011 26.192 1.00 0.00 C ATOM 0 H ALA A 18 8.412 -15.814 26.456 1.00 0.00 H new ATOM 0 HA ALA A 18 10.367 -15.607 24.320 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.155 -16.601 25.740 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.693 -14.981 26.312 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.107 -16.427 27.168 1.00 0.00 H new ATOM 240 N SER A 19 10.326 -18.165 24.056 1.00 0.00 N ATOM 241 CA SER A 19 10.134 -19.591 23.750 1.00 0.00 C ATOM 242 C SER A 19 11.429 -20.273 23.277 1.00 0.00 C ATOM 243 O SER A 19 12.425 -19.619 22.960 1.00 0.00 O ATOM 244 CB SER A 19 9.025 -19.760 22.702 1.00 0.00 C ATOM 245 OG SER A 19 8.570 -21.107 22.691 1.00 0.00 O ATOM 0 H SER A 19 11.023 -17.721 23.458 1.00 0.00 H new ATOM 0 HA SER A 19 9.838 -20.083 24.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.196 -19.089 22.926 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.400 -19.486 21.716 1.00 0.00 H new ATOM 0 HG SER A 19 7.663 -21.149 23.061 1.00 0.00 H new ATOM 251 N ALA A 20 11.425 -21.607 23.231 1.00 0.00 N ATOM 252 CA ALA A 20 12.519 -22.439 22.725 1.00 0.00 C ATOM 253 C ALA A 20 12.500 -22.665 21.196 1.00 0.00 C ATOM 254 O ALA A 20 13.394 -23.327 20.662 1.00 0.00 O ATOM 255 CB ALA A 20 12.515 -23.755 23.518 1.00 0.00 C ATOM 0 H ALA A 20 10.631 -22.158 23.557 1.00 0.00 H new ATOM 0 HA ALA A 20 13.456 -21.904 22.882 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.321 -24.397 23.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.661 -23.542 24.577 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.560 -24.261 23.378 1.00 0.00 H new ATOM 261 N ILE A 21 11.492 -22.136 20.490 1.00 0.00 N ATOM 262 CA ILE A 21 11.218 -22.408 19.069 1.00 0.00 C ATOM 263 C ILE A 21 10.939 -21.094 18.316 1.00 0.00 C ATOM 264 O ILE A 21 10.139 -20.274 18.771 1.00 0.00 O ATOM 265 CB ILE A 21 10.033 -23.407 18.960 1.00 0.00 C ATOM 266 CG1 ILE A 21 10.332 -24.730 19.713 1.00 0.00 C ATOM 267 CG2 ILE A 21 9.671 -23.698 17.495 1.00 0.00 C ATOM 268 CD1 ILE A 21 9.231 -25.797 19.645 1.00 0.00 C ATOM 0 H ILE A 21 10.823 -21.486 20.903 1.00 0.00 H new ATOM 0 HA ILE A 21 12.091 -22.863 18.601 1.00 0.00 H new ATOM 0 HB ILE A 21 9.175 -22.931 19.434 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.251 -25.156 19.310 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.521 -24.496 20.761 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.838 -24.400 17.459 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.385 -22.770 17.000 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.533 -24.130 16.986 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.544 -26.679 20.204 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.313 -25.400 20.078 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.053 -26.071 18.605 1.00 0.00 H new ATOM 280 N LYS A 22 11.533 -20.915 17.126 1.00 0.00 N ATOM 281 CA LYS A 22 11.324 -19.729 16.267 1.00 0.00 C ATOM 282 C LYS A 22 9.871 -19.591 15.794 1.00 0.00 C ATOM 283 O LYS A 22 9.320 -18.494 15.827 1.00 0.00 O ATOM 284 CB LYS A 22 12.314 -19.780 15.086 1.00 0.00 C ATOM 285 CG LYS A 22 12.261 -18.581 14.120 1.00 0.00 C ATOM 286 CD LYS A 22 12.406 -17.213 14.810 1.00 0.00 C ATOM 287 CE LYS A 22 12.701 -16.060 13.839 1.00 0.00 C ATOM 288 NZ LYS A 22 11.660 -15.906 12.789 1.00 0.00 N ATOM 0 H LYS A 22 12.180 -21.594 16.725 1.00 0.00 H new ATOM 0 HA LYS A 22 11.520 -18.835 16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.325 -19.857 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.126 -20.691 14.517 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.054 -18.689 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.315 -18.605 13.579 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.488 -16.992 15.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.208 -17.270 15.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.782 -15.130 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.667 -16.231 13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.645 -14.921 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.876 -16.537 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.730 -16.153 13.184 1.00 0.00 H new ATOM 302 N ALA A 23 9.214 -20.697 15.443 1.00 0.00 N ATOM 303 CA ALA A 23 7.787 -20.724 15.098 1.00 0.00 C ATOM 304 C ALA A 23 6.878 -20.246 16.247 1.00 0.00 C ATOM 305 O ALA A 23 5.899 -19.539 16.003 1.00 0.00 O ATOM 306 CB ALA A 23 7.421 -22.140 14.636 1.00 0.00 C ATOM 0 H ALA A 23 9.661 -21.612 15.389 1.00 0.00 H new ATOM 0 HA ALA A 23 7.616 -20.015 14.288 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.363 -22.176 14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.018 -22.404 13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.621 -22.848 15.440 1.00 0.00 H new ATOM 312 N ASN A 24 7.226 -20.545 17.504 1.00 0.00 N ATOM 313 CA ASN A 24 6.490 -20.061 18.679 1.00 0.00 C ATOM 314 C ASN A 24 6.696 -18.555 18.922 1.00 0.00 C ATOM 315 O ASN A 24 5.822 -17.906 19.494 1.00 0.00 O ATOM 316 CB ASN A 24 6.913 -20.864 19.921 1.00 0.00 C ATOM 317 CG ASN A 24 6.459 -22.312 19.961 1.00 0.00 C ATOM 318 OD1 ASN A 24 5.748 -22.822 19.107 1.00 0.00 O ATOM 319 ND2 ASN A 24 6.869 -23.019 20.988 1.00 0.00 N ATOM 0 H ASN A 24 8.028 -21.131 17.736 1.00 0.00 H new ATOM 0 HA ASN A 24 5.427 -20.209 18.486 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.001 -20.842 19.991 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.527 -20.358 20.806 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.595 -23.997 21.076 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.462 -22.590 21.698 1.00 0.00 H new ATOM 326 N LEU A 25 7.815 -17.975 18.476 1.00 0.00 N ATOM 327 CA LEU A 25 7.991 -16.522 18.447 1.00 0.00 C ATOM 328 C LEU A 25 7.214 -15.895 17.277 1.00 0.00 C ATOM 329 O LEU A 25 6.490 -14.926 17.489 1.00 0.00 O ATOM 330 CB LEU A 25 9.487 -16.168 18.446 1.00 0.00 C ATOM 331 CG LEU A 25 9.760 -14.652 18.390 1.00 0.00 C ATOM 332 CD1 LEU A 25 9.150 -13.889 19.569 1.00 0.00 C ATOM 333 CD2 LEU A 25 11.264 -14.390 18.381 1.00 0.00 C ATOM 0 H LEU A 25 8.619 -18.497 18.127 1.00 0.00 H new ATOM 0 HA LEU A 25 7.566 -16.089 19.353 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.950 -16.580 19.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.965 -16.647 17.592 1.00 0.00 H new ATOM 0 HG LEU A 25 9.291 -14.293 17.474 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.377 -12.827 19.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.069 -14.030 19.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.569 -14.266 20.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.446 -13.316 18.341 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.710 -14.800 19.287 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.711 -14.866 17.508 1.00 0.00 H new ATOM 345 N ASN A 26 7.273 -16.471 16.069 1.00 0.00 N ATOM 346 CA ASN A 26 6.497 -15.990 14.915 1.00 0.00 C ATOM 347 C ASN A 26 5.000 -15.891 15.250 1.00 0.00 C ATOM 348 O ASN A 26 4.368 -14.866 14.993 1.00 0.00 O ATOM 349 CB ASN A 26 6.626 -16.955 13.725 1.00 0.00 C ATOM 350 CG ASN A 26 8.010 -17.176 13.158 1.00 0.00 C ATOM 351 OD1 ASN A 26 8.953 -16.422 13.351 1.00 0.00 O ATOM 352 ND2 ASN A 26 8.132 -18.239 12.400 1.00 0.00 N ATOM 0 H ASN A 26 7.858 -17.281 15.863 1.00 0.00 H new ATOM 0 HA ASN A 26 6.897 -15.008 14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.228 -17.923 14.031 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.987 -16.587 12.922 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.027 -18.450 11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.332 -18.855 12.252 1.00 0.00 H new ATOM 359 N VAL A 27 4.443 -16.952 15.850 1.00 0.00 N ATOM 360 CA VAL A 27 3.012 -17.044 16.168 1.00 0.00 C ATOM 361 C VAL A 27 2.586 -16.032 17.224 1.00 0.00 C ATOM 362 O VAL A 27 1.486 -15.486 17.182 1.00 0.00 O ATOM 363 CB VAL A 27 2.642 -18.479 16.583 1.00 0.00 C ATOM 364 CG1 VAL A 27 2.677 -18.805 18.077 1.00 0.00 C ATOM 365 CG2 VAL A 27 1.257 -18.788 16.034 1.00 0.00 C ATOM 0 H VAL A 27 4.976 -17.775 16.130 1.00 0.00 H new ATOM 0 HA VAL A 27 2.460 -16.794 15.262 1.00 0.00 H new ATOM 0 HB VAL A 27 3.428 -19.106 16.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.396 -19.847 18.229 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.684 -18.641 18.462 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.977 -18.159 18.607 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.972 -19.802 16.315 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.537 -18.081 16.445 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.269 -18.703 14.947 1.00 0.00 H new ATOM 375 N HIS A 28 3.495 -15.757 18.152 1.00 0.00 N ATOM 376 CA HIS A 28 3.310 -14.793 19.221 1.00 0.00 C ATOM 377 C HIS A 28 3.264 -13.344 18.706 1.00 0.00 C ATOM 378 O HIS A 28 2.426 -12.551 19.140 1.00 0.00 O ATOM 379 CB HIS A 28 4.439 -15.004 20.234 1.00 0.00 C ATOM 380 CG HIS A 28 4.433 -13.952 21.313 1.00 0.00 C ATOM 381 ND1 HIS A 28 3.619 -13.916 22.418 1.00 0.00 N ATOM 382 CD2 HIS A 28 5.139 -12.779 21.289 1.00 0.00 C ATOM 383 CE1 HIS A 28 3.818 -12.749 23.048 1.00 0.00 C ATOM 384 NE2 HIS A 28 4.735 -11.998 22.389 1.00 0.00 N ATOM 0 H HIS A 28 4.407 -16.214 18.179 1.00 0.00 H new ATOM 0 HA HIS A 28 2.342 -14.955 19.696 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.339 -15.990 20.688 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.398 -14.987 19.717 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.974 -14.650 22.710 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.879 -12.501 20.553 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.317 -12.448 23.956 1.00 0.00 H new ATOM 392 N LEU A 29 4.126 -12.999 17.742 1.00 0.00 N ATOM 393 CA LEU A 29 4.208 -11.650 17.167 1.00 0.00 C ATOM 394 C LEU A 29 2.914 -11.243 16.449 1.00 0.00 C ATOM 395 O LEU A 29 2.578 -10.059 16.443 1.00 0.00 O ATOM 396 CB LEU A 29 5.406 -11.563 16.204 1.00 0.00 C ATOM 397 CG LEU A 29 6.788 -11.694 16.865 1.00 0.00 C ATOM 398 CD1 LEU A 29 7.858 -11.938 15.802 1.00 0.00 C ATOM 399 CD2 LEU A 29 7.185 -10.448 17.649 1.00 0.00 C ATOM 0 H LEU A 29 4.793 -13.655 17.335 1.00 0.00 H new ATOM 0 HA LEU A 29 4.350 -10.950 17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.305 -12.346 15.452 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.361 -10.609 15.679 1.00 0.00 H new ATOM 0 HG LEU A 29 6.718 -12.534 17.556 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.833 -12.029 16.281 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.632 -12.857 15.262 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.874 -11.102 15.103 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.169 -10.596 18.094 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.216 -9.590 16.977 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.454 -10.266 18.437 1.00 0.00 H new ATOM 411 N ARG A 30 2.133 -12.210 15.940 1.00 0.00 N ATOM 412 CA ARG A 30 0.815 -11.990 15.302 1.00 0.00 C ATOM 413 C ARG A 30 -0.180 -11.215 16.177 1.00 0.00 C ATOM 414 O ARG A 30 -1.115 -10.599 15.666 1.00 0.00 O ATOM 415 CB ARG A 30 0.170 -13.334 14.914 1.00 0.00 C ATOM 416 CG ARG A 30 0.992 -14.147 13.904 1.00 0.00 C ATOM 417 CD ARG A 30 0.322 -15.487 13.565 1.00 0.00 C ATOM 418 NE ARG A 30 -0.943 -15.307 12.823 1.00 0.00 N ATOM 419 CZ ARG A 30 -1.863 -16.228 12.590 1.00 0.00 C ATOM 420 NH1 ARG A 30 -1.738 -17.459 12.999 1.00 0.00 N ATOM 421 NH2 ARG A 30 -2.945 -15.924 11.930 1.00 0.00 N ATOM 0 H ARG A 30 2.404 -13.193 15.959 1.00 0.00 H new ATOM 0 HA ARG A 30 1.023 -11.383 14.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.026 -13.931 15.815 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.818 -13.145 14.495 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.123 -13.566 12.991 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.987 -14.331 14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.006 -16.093 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.126 -16.036 14.486 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.126 -14.375 12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.908 -17.742 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.471 -18.140 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.085 -14.972 11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.652 -16.638 11.753 1.00 0.00 H new ATOM 552 N ALA A 38 -1.416 -2.080 3.000 1.00 0.00 N ATOM 553 CA ALA A 38 -1.383 -2.309 1.552 1.00 0.00 C ATOM 554 C ALA A 38 -0.001 -2.025 0.936 1.00 0.00 C ATOM 555 O ALA A 38 0.698 -1.102 1.369 1.00 0.00 O ATOM 556 CB ALA A 38 -2.474 -1.461 0.886 1.00 0.00 C ATOM 0 HA ALA A 38 -1.577 -3.366 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.456 -1.626 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.449 -1.747 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.293 -0.407 1.095 1.00 0.00 H new ATOM 562 N CYS A 39 0.368 -2.777 -0.105 1.00 0.00 N ATOM 563 CA CYS A 39 1.561 -2.517 -0.902 1.00 0.00 C ATOM 564 C CYS A 39 1.442 -1.199 -1.684 1.00 0.00 C ATOM 565 O CYS A 39 0.374 -0.819 -2.176 1.00 0.00 O ATOM 566 CB CYS A 39 1.776 -3.762 -1.759 1.00 0.00 C ATOM 567 SG CYS A 39 3.221 -3.702 -2.860 1.00 0.00 S ATOM 0 H CYS A 39 -0.161 -3.591 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 39 2.447 -2.357 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.877 -4.624 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.884 -3.926 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 39 3.687 -4.904 -3.030 1.00 0.00 H new ATOM 572 N ASP A 40 2.562 -0.484 -1.782 1.00 0.00 N ATOM 573 CA ASP A 40 2.674 0.754 -2.562 1.00 0.00 C ATOM 574 C ASP A 40 2.906 0.474 -4.063 1.00 0.00 C ATOM 575 O ASP A 40 2.921 1.402 -4.876 1.00 0.00 O ATOM 576 CB ASP A 40 3.784 1.626 -1.948 1.00 0.00 C ATOM 577 CG ASP A 40 3.781 3.066 -2.492 1.00 0.00 C ATOM 578 OD1 ASP A 40 2.743 3.762 -2.361 1.00 0.00 O ATOM 579 OD2 ASP A 40 4.831 3.534 -2.996 1.00 0.00 O ATOM 0 H ASP A 40 3.430 -0.749 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 40 1.731 1.298 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.663 1.651 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.753 1.168 -2.150 1.00 0.00 H new ATOM 584 N TYR A 41 3.076 -0.802 -4.437 1.00 0.00 N ATOM 585 CA TYR A 41 3.503 -1.230 -5.775 1.00 0.00 C ATOM 586 C TYR A 41 2.506 -2.172 -6.469 1.00 0.00 C ATOM 587 O TYR A 41 2.451 -2.194 -7.702 1.00 0.00 O ATOM 588 CB TYR A 41 4.876 -1.897 -5.664 1.00 0.00 C ATOM 589 CG TYR A 41 5.971 -1.032 -5.070 1.00 0.00 C ATOM 590 CD1 TYR A 41 6.162 -1.031 -3.677 1.00 0.00 C ATOM 591 CD2 TYR A 41 6.788 -0.239 -5.899 1.00 0.00 C ATOM 592 CE1 TYR A 41 7.173 -0.235 -3.106 1.00 0.00 C ATOM 593 CE2 TYR A 41 7.804 0.556 -5.331 1.00 0.00 C ATOM 594 CZ TYR A 41 7.999 0.557 -3.931 1.00 0.00 C ATOM 595 OH TYR A 41 8.977 1.321 -3.370 1.00 0.00 O ATOM 0 H TYR A 41 2.916 -1.584 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 41 3.553 -0.339 -6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.777 -2.796 -5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.188 -2.217 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.533 -1.641 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.636 -0.240 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.316 -0.231 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.433 1.164 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 41 9.458 1.806 -4.073 1.00 0.00 H new ATOM 605 N CYS A 42 1.709 -2.921 -5.698 1.00 0.00 N ATOM 606 CA CYS A 42 0.585 -3.727 -6.202 1.00 0.00 C ATOM 607 C CYS A 42 -0.652 -3.693 -5.278 1.00 0.00 C ATOM 608 O CYS A 42 -0.670 -3.026 -4.242 1.00 0.00 O ATOM 609 CB CYS A 42 1.056 -5.162 -6.506 1.00 0.00 C ATOM 610 SG CYS A 42 1.555 -6.035 -5.008 1.00 0.00 S ATOM 0 H CYS A 42 1.827 -2.987 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 42 0.249 -3.273 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.253 -5.712 -6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.893 -5.130 -7.204 1.00 0.00 H new ATOM 0 HG CYS A 42 2.183 -5.216 -4.218 1.00 0.00 H new ATOM 615 N SER A 43 -1.700 -4.429 -5.662 1.00 0.00 N ATOM 616 CA SER A 43 -2.952 -4.586 -4.905 1.00 0.00 C ATOM 617 C SER A 43 -2.822 -5.468 -3.646 1.00 0.00 C ATOM 618 O SER A 43 -3.827 -5.748 -2.986 1.00 0.00 O ATOM 619 CB SER A 43 -4.053 -5.143 -5.820 1.00 0.00 C ATOM 620 OG SER A 43 -4.201 -4.345 -6.987 1.00 0.00 O ATOM 0 H SER A 43 -1.703 -4.951 -6.538 1.00 0.00 H new ATOM 0 HA SER A 43 -3.215 -3.589 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.810 -6.167 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.998 -5.178 -5.277 1.00 0.00 H new ATOM 0 HG SER A 43 -4.906 -4.722 -7.553 1.00 0.00 H new ATOM 626 N PHE A 44 -1.613 -5.934 -3.305 1.00 0.00 N ATOM 627 CA PHE A 44 -1.351 -6.776 -2.134 1.00 0.00 C ATOM 628 C PHE A 44 -1.695 -6.090 -0.811 1.00 0.00 C ATOM 629 O PHE A 44 -1.522 -4.880 -0.651 1.00 0.00 O ATOM 630 CB PHE A 44 0.119 -7.193 -2.115 1.00 0.00 C ATOM 631 CG PHE A 44 0.576 -8.055 -0.950 1.00 0.00 C ATOM 632 CD1 PHE A 44 0.376 -9.448 -0.973 1.00 0.00 C ATOM 633 CD2 PHE A 44 1.230 -7.465 0.150 1.00 0.00 C ATOM 634 CE1 PHE A 44 0.832 -10.245 0.094 1.00 0.00 C ATOM 635 CE2 PHE A 44 1.693 -8.261 1.213 1.00 0.00 C ATOM 636 CZ PHE A 44 1.494 -9.651 1.184 1.00 0.00 C ATOM 0 H PHE A 44 -0.774 -5.731 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.000 -7.647 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.330 -7.732 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.728 -6.289 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.128 -9.906 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.377 -6.395 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.674 -11.313 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.201 -7.804 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.849 -10.264 1.999 1.00 0.00 H new ATOM 646 N THR A 45 -2.110 -6.896 0.162 1.00 0.00 N ATOM 647 CA THR A 45 -2.386 -6.484 1.542 1.00 0.00 C ATOM 648 C THR A 45 -1.956 -7.546 2.548 1.00 0.00 C ATOM 649 O THR A 45 -2.012 -8.747 2.265 1.00 0.00 O ATOM 650 CB THR A 45 -3.872 -6.169 1.767 1.00 0.00 C ATOM 651 OG1 THR A 45 -4.729 -7.206 1.322 1.00 0.00 O ATOM 652 CG2 THR A 45 -4.287 -4.890 1.055 1.00 0.00 C ATOM 0 H THR A 45 -2.270 -7.892 0.009 1.00 0.00 H new ATOM 0 HA THR A 45 -1.802 -5.577 1.700 1.00 0.00 H new ATOM 0 HB THR A 45 -3.977 -6.057 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.661 -6.955 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.345 -4.699 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.697 -4.055 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.117 -4.998 -0.016 1.00 0.00 H new ATOM 660 N CYS A 46 -1.572 -7.105 3.745 1.00 0.00 N ATOM 661 CA CYS A 46 -1.200 -7.988 4.855 1.00 0.00 C ATOM 662 C CYS A 46 -1.569 -7.391 6.223 1.00 0.00 C ATOM 663 O CYS A 46 -1.592 -6.171 6.392 1.00 0.00 O ATOM 664 CB CYS A 46 0.303 -8.294 4.762 1.00 0.00 C ATOM 665 SG CYS A 46 0.729 -9.669 5.870 1.00 0.00 S ATOM 0 H CYS A 46 -1.509 -6.114 3.976 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.767 -8.915 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.568 -8.548 3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.880 -7.409 5.030 1.00 0.00 H new ATOM 0 HG CYS A 46 0.410 -10.796 5.306 1.00 0.00 H new ATOM 671 N LEU A 47 -1.809 -8.262 7.209 1.00 0.00 N ATOM 672 CA LEU A 47 -2.076 -7.912 8.612 1.00 0.00 C ATOM 673 C LEU A 47 -0.790 -7.555 9.399 1.00 0.00 C ATOM 674 O LEU A 47 -0.860 -7.202 10.579 1.00 0.00 O ATOM 675 CB LEU A 47 -2.873 -9.053 9.283 1.00 0.00 C ATOM 676 CG LEU A 47 -4.381 -9.159 8.959 1.00 0.00 C ATOM 677 CD1 LEU A 47 -5.167 -7.932 9.428 1.00 0.00 C ATOM 678 CD2 LEU A 47 -4.693 -9.387 7.479 1.00 0.00 C ATOM 0 H LEU A 47 -1.824 -9.269 7.048 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.679 -7.004 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.403 -9.998 9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.768 -8.946 10.363 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.697 -10.043 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.220 -8.057 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.062 -7.823 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.779 -7.041 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.772 -9.449 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.299 -8.557 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.230 -10.317 7.149 1.00 0.00 H new ATOM 690 N SER A 48 0.385 -7.649 8.760 1.00 0.00 N ATOM 691 CA SER A 48 1.697 -7.300 9.316 1.00 0.00 C ATOM 692 C SER A 48 2.506 -6.427 8.361 1.00 0.00 C ATOM 693 O SER A 48 2.779 -6.792 7.214 1.00 0.00 O ATOM 694 CB SER A 48 2.487 -8.566 9.661 1.00 0.00 C ATOM 695 OG SER A 48 3.798 -8.219 10.083 1.00 0.00 O ATOM 0 H SER A 48 0.448 -7.985 7.799 1.00 0.00 H new ATOM 0 HA SER A 48 1.520 -6.726 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.977 -9.120 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.537 -9.222 8.792 1.00 0.00 H new ATOM 0 HG SER A 48 4.297 -9.033 10.303 1.00 0.00 H new ATOM 701 N LYS A 49 2.961 -5.285 8.886 1.00 0.00 N ATOM 702 CA LYS A 49 3.908 -4.378 8.230 1.00 0.00 C ATOM 703 C LYS A 49 5.286 -5.010 8.024 1.00 0.00 C ATOM 704 O LYS A 49 5.960 -4.720 7.037 1.00 0.00 O ATOM 705 CB LYS A 49 4.031 -3.061 9.014 1.00 0.00 C ATOM 706 CG LYS A 49 4.015 -3.160 10.550 1.00 0.00 C ATOM 707 CD LYS A 49 4.173 -1.767 11.173 1.00 0.00 C ATOM 708 CE LYS A 49 3.950 -1.843 12.688 1.00 0.00 C ATOM 709 NZ LYS A 49 4.125 -0.515 13.334 1.00 0.00 N ATOM 0 H LYS A 49 2.672 -4.956 9.807 1.00 0.00 H new ATOM 0 HA LYS A 49 3.505 -4.167 7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.959 -2.574 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.215 -2.407 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.080 -3.611 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.821 -3.811 10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.168 -1.376 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.458 -1.076 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.947 -2.217 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.650 -2.556 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.967 -0.604 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.091 -0.170 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.440 0.158 12.935 1.00 0.00 H new ATOM 723 N GLY A 50 5.688 -5.911 8.920 1.00 0.00 N ATOM 724 CA GLY A 50 6.952 -6.635 8.828 1.00 0.00 C ATOM 725 C GLY A 50 6.970 -7.649 7.680 1.00 0.00 C ATOM 726 O GLY A 50 7.968 -7.750 6.964 1.00 0.00 O ATOM 0 H GLY A 50 5.136 -6.161 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.765 -5.922 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.138 -7.154 9.768 1.00 0.00 H new ATOM 730 N HIS A 51 5.846 -8.325 7.410 1.00 0.00 N ATOM 731 CA HIS A 51 5.703 -9.159 6.211 1.00 0.00 C ATOM 732 C HIS A 51 5.541 -8.314 4.937 1.00 0.00 C ATOM 733 O HIS A 51 6.100 -8.667 3.897 1.00 0.00 O ATOM 734 CB HIS A 51 4.536 -10.136 6.379 1.00 0.00 C ATOM 735 CG HIS A 51 4.374 -11.087 5.212 1.00 0.00 C ATOM 736 ND1 HIS A 51 3.189 -11.405 4.591 1.00 0.00 N ATOM 737 CD2 HIS A 51 5.362 -11.774 4.554 1.00 0.00 C ATOM 738 CE1 HIS A 51 3.448 -12.260 3.589 1.00 0.00 C ATOM 739 NE2 HIS A 51 4.768 -12.509 3.515 1.00 0.00 N ATOM 0 H HIS A 51 5.020 -8.310 8.008 1.00 0.00 H new ATOM 0 HA HIS A 51 6.623 -9.732 6.094 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.684 -10.714 7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.614 -9.570 6.507 1.00 0.00 H new ATOM 0 HD1 HIS A 51 2.268 -11.051 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.415 -11.753 4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.702 -12.687 2.935 1.00 0.00 H new ATOM 747 N LEU A 52 4.855 -7.166 5.008 1.00 0.00 N ATOM 748 CA LEU A 52 4.748 -6.236 3.878 1.00 0.00 C ATOM 749 C LEU A 52 6.121 -5.693 3.434 1.00 0.00 C ATOM 750 O LEU A 52 6.383 -5.590 2.234 1.00 0.00 O ATOM 751 CB LEU A 52 3.785 -5.097 4.248 1.00 0.00 C ATOM 752 CG LEU A 52 3.612 -4.061 3.122 1.00 0.00 C ATOM 753 CD1 LEU A 52 2.992 -4.687 1.874 1.00 0.00 C ATOM 754 CD2 LEU A 52 2.705 -2.932 3.595 1.00 0.00 C ATOM 0 H LEU A 52 4.361 -6.858 5.846 1.00 0.00 H new ATOM 0 HA LEU A 52 4.349 -6.780 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.812 -5.519 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.153 -4.594 5.142 1.00 0.00 H new ATOM 0 HG LEU A 52 4.602 -3.681 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.885 -3.927 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.637 -5.487 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.012 -5.095 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.586 -2.202 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.730 -3.337 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.150 -2.448 4.465 1.00 0.00 H new ATOM 766 N LYS A 53 7.029 -5.415 4.380 1.00 0.00 N ATOM 767 CA LYS A 53 8.427 -5.074 4.077 1.00 0.00 C ATOM 768 C LYS A 53 9.098 -6.185 3.267 1.00 0.00 C ATOM 769 O LYS A 53 9.661 -5.911 2.210 1.00 0.00 O ATOM 770 CB LYS A 53 9.163 -4.756 5.389 1.00 0.00 C ATOM 771 CG LYS A 53 10.691 -4.693 5.225 1.00 0.00 C ATOM 772 CD LYS A 53 11.393 -4.230 6.511 1.00 0.00 C ATOM 773 CE LYS A 53 11.126 -2.769 6.908 1.00 0.00 C ATOM 774 NZ LYS A 53 11.733 -1.799 5.954 1.00 0.00 N ATOM 0 H LYS A 53 6.815 -5.420 5.377 1.00 0.00 H new ATOM 0 HA LYS A 53 8.467 -4.184 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.806 -3.802 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.914 -5.515 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.065 -5.677 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.940 -4.012 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.080 -4.876 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.468 -4.367 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.050 -2.600 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.524 -2.589 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.525 -0.829 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.763 -1.940 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.336 -1.950 5.005 1.00 0.00 H new ATOM 788 N VAL A 54 8.977 -7.440 3.706 1.00 0.00 N ATOM 789 CA VAL A 54 9.540 -8.601 2.992 1.00 0.00 C ATOM 790 C VAL A 54 8.915 -8.769 1.603 1.00 0.00 C ATOM 791 O VAL A 54 9.631 -9.047 0.645 1.00 0.00 O ATOM 792 CB VAL A 54 9.395 -9.890 3.823 1.00 0.00 C ATOM 793 CG1 VAL A 54 9.885 -11.131 3.071 1.00 0.00 C ATOM 794 CG2 VAL A 54 10.221 -9.791 5.105 1.00 0.00 C ATOM 0 H VAL A 54 8.487 -7.686 4.566 1.00 0.00 H new ATOM 0 HA VAL A 54 10.604 -8.410 2.851 1.00 0.00 H new ATOM 0 HB VAL A 54 8.331 -9.992 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.760 -12.011 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.305 -11.255 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.939 -11.011 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.109 -10.709 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.271 -9.648 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.873 -8.945 5.698 1.00 0.00 H new ATOM 804 N HIS A 55 7.606 -8.542 1.460 1.00 0.00 N ATOM 805 CA HIS A 55 6.918 -8.559 0.165 1.00 0.00 C ATOM 806 C HIS A 55 7.518 -7.543 -0.818 1.00 0.00 C ATOM 807 O HIS A 55 7.781 -7.876 -1.972 1.00 0.00 O ATOM 808 CB HIS A 55 5.412 -8.318 0.376 1.00 0.00 C ATOM 809 CG HIS A 55 4.653 -8.030 -0.901 1.00 0.00 C ATOM 810 ND1 HIS A 55 4.152 -8.967 -1.772 1.00 0.00 N ATOM 811 CD2 HIS A 55 4.358 -6.798 -1.424 1.00 0.00 C ATOM 812 CE1 HIS A 55 3.579 -8.328 -2.801 1.00 0.00 C ATOM 813 NE2 HIS A 55 3.695 -6.987 -2.655 1.00 0.00 N ATOM 0 H HIS A 55 6.989 -8.340 2.246 1.00 0.00 H new ATOM 0 HA HIS A 55 7.058 -9.542 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.977 -9.195 0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.280 -7.481 1.062 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.207 -9.979 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.593 -5.846 -0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.092 -8.816 -3.632 1.00 0.00 H new ATOM 821 N ILE A 56 7.805 -6.318 -0.381 1.00 0.00 N ATOM 822 CA ILE A 56 8.429 -5.306 -1.243 1.00 0.00 C ATOM 823 C ILE A 56 9.899 -5.659 -1.534 1.00 0.00 C ATOM 824 O ILE A 56 10.335 -5.568 -2.680 1.00 0.00 O ATOM 825 CB ILE A 56 8.233 -3.904 -0.628 1.00 0.00 C ATOM 826 CG1 ILE A 56 6.729 -3.543 -0.544 1.00 0.00 C ATOM 827 CG2 ILE A 56 8.986 -2.860 -1.466 1.00 0.00 C ATOM 828 CD1 ILE A 56 6.424 -2.355 0.377 1.00 0.00 C ATOM 0 H ILE A 56 7.616 -5.998 0.569 1.00 0.00 H new ATOM 0 HA ILE A 56 7.937 -5.294 -2.216 1.00 0.00 H new ATOM 0 HB ILE A 56 8.636 -3.909 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.364 -3.316 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.176 -4.414 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.845 -1.872 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.049 -3.102 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.600 -2.864 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.351 -2.165 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.757 -2.585 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.947 -1.470 0.015 1.00 0.00 H new ATOM 840 N GLU A 57 10.641 -6.145 -0.540 1.00 0.00 N ATOM 841 CA GLU A 57 12.057 -6.546 -0.659 1.00 0.00 C ATOM 842 C GLU A 57 12.280 -7.802 -1.518 1.00 0.00 C ATOM 843 O GLU A 57 13.408 -8.067 -1.943 1.00 0.00 O ATOM 844 CB GLU A 57 12.616 -6.810 0.746 1.00 0.00 C ATOM 845 CG GLU A 57 12.765 -5.544 1.595 1.00 0.00 C ATOM 846 CD GLU A 57 14.103 -4.828 1.325 1.00 0.00 C ATOM 847 OE1 GLU A 57 14.192 -4.045 0.348 1.00 0.00 O ATOM 848 OE2 GLU A 57 15.074 -5.039 2.092 1.00 0.00 O ATOM 0 H GLU A 57 10.270 -6.278 0.401 1.00 0.00 H new ATOM 0 HA GLU A 57 12.572 -5.726 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.959 -7.509 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.589 -7.293 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.940 -4.864 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.699 -5.805 2.651 1.00 0.00 H new ATOM 855 N ARG A 58 11.216 -8.570 -1.780 1.00 0.00 N ATOM 856 CA ARG A 58 11.244 -9.772 -2.643 1.00 0.00 C ATOM 857 C ARG A 58 10.593 -9.570 -4.007 1.00 0.00 C ATOM 858 O ARG A 58 11.134 -10.050 -5.004 1.00 0.00 O ATOM 859 CB ARG A 58 10.703 -11.009 -1.899 1.00 0.00 C ATOM 860 CG ARG A 58 9.178 -11.178 -1.886 1.00 0.00 C ATOM 861 CD ARG A 58 8.720 -12.224 -0.865 1.00 0.00 C ATOM 862 NE ARG A 58 7.251 -12.397 -0.898 1.00 0.00 N ATOM 863 CZ ARG A 58 6.427 -12.511 0.132 1.00 0.00 C ATOM 864 NH1 ARG A 58 6.839 -12.518 1.364 1.00 0.00 N ATOM 865 NH2 ARG A 58 5.145 -12.622 -0.052 1.00 0.00 N ATOM 0 H ARG A 58 10.292 -8.376 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 58 12.294 -9.959 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.143 -11.899 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.052 -10.968 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.710 -10.220 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.838 -11.470 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.206 -13.177 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.031 -11.920 0.135 1.00 0.00 H new ATOM 0 HE ARG A 58 6.823 -12.433 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.835 -12.433 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.167 -12.608 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.764 -12.622 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.520 -12.709 0.750 1.00 0.00 H new ATOM 879 N VAL A 59 9.458 -8.864 -4.067 1.00 0.00 N ATOM 880 CA VAL A 59 8.683 -8.708 -5.306 1.00 0.00 C ATOM 881 C VAL A 59 9.082 -7.435 -6.064 1.00 0.00 C ATOM 882 O VAL A 59 9.308 -7.482 -7.272 1.00 0.00 O ATOM 883 CB VAL A 59 7.156 -8.745 -5.064 1.00 0.00 C ATOM 884 CG1 VAL A 59 6.380 -8.755 -6.388 1.00 0.00 C ATOM 885 CG2 VAL A 59 6.713 -9.993 -4.288 1.00 0.00 C ATOM 0 H VAL A 59 9.051 -8.386 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 59 8.929 -9.569 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 59 6.938 -7.848 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.310 -8.781 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.618 -7.856 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.660 -9.635 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.633 -9.968 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.985 -10.886 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.207 -10.012 -3.316 1.00 0.00 H new ATOM 895 N HIS A 60 9.194 -6.302 -5.357 1.00 0.00 N ATOM 896 CA HIS A 60 9.360 -4.960 -5.945 1.00 0.00 C ATOM 897 C HIS A 60 10.762 -4.342 -5.781 1.00 0.00 C ATOM 898 O HIS A 60 10.969 -3.148 -6.021 1.00 0.00 O ATOM 899 CB HIS A 60 8.238 -4.049 -5.443 1.00 0.00 C ATOM 900 CG HIS A 60 6.868 -4.661 -5.573 1.00 0.00 C ATOM 901 ND1 HIS A 60 6.185 -4.917 -6.740 1.00 0.00 N ATOM 902 CD2 HIS A 60 6.071 -5.061 -4.541 1.00 0.00 C ATOM 903 CE1 HIS A 60 4.991 -5.442 -6.423 1.00 0.00 C ATOM 904 NE2 HIS A 60 4.863 -5.545 -5.080 1.00 0.00 N ATOM 0 H HIS A 60 9.172 -6.290 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 60 9.277 -5.072 -7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 60 8.420 -3.803 -4.397 1.00 0.00 H new ATOM 0 HB3 HIS A 60 8.264 -3.112 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.323 -5.015 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.239 -5.740 -7.139 1.00 0.00 H new ATOM 0 HE2 HIS A 60 4.058 -5.900 -4.564 1.00 0.00 H new ATOM 912 N LYS A 61 11.743 -5.162 -5.400 1.00 0.00 N ATOM 913 CA LYS A 61 13.152 -4.783 -5.214 1.00 0.00 C ATOM 914 C LYS A 61 13.785 -4.406 -6.559 1.00 0.00 C ATOM 915 O LYS A 61 13.785 -5.211 -7.492 1.00 0.00 O ATOM 916 CB LYS A 61 13.851 -5.939 -4.478 1.00 0.00 C ATOM 917 CG LYS A 61 15.321 -5.724 -4.071 1.00 0.00 C ATOM 918 CD LYS A 61 16.382 -5.862 -5.178 1.00 0.00 C ATOM 919 CE LYS A 61 16.234 -7.157 -5.988 1.00 0.00 C ATOM 920 NZ LYS A 61 17.386 -7.380 -6.902 1.00 0.00 N ATOM 0 H LYS A 61 11.575 -6.149 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 61 13.258 -3.889 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.279 -6.161 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.802 -6.824 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.410 -4.727 -3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.561 -6.436 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.311 -5.008 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.375 -5.832 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.144 -8.002 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.313 -7.117 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.245 -8.265 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.457 -6.587 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.263 -7.444 -6.346 1.00 0.00 H new ATOM 997 N GLN A 65 11.695 2.183 -13.713 1.00 0.00 N ATOM 998 CA GLN A 65 11.221 3.575 -13.657 1.00 0.00 C ATOM 999 C GLN A 65 11.115 4.178 -15.068 1.00 0.00 C ATOM 1000 O GLN A 65 11.552 3.556 -16.038 1.00 0.00 O ATOM 1001 CB GLN A 65 12.192 4.391 -12.781 1.00 0.00 C ATOM 1002 CG GLN A 65 12.202 3.979 -11.299 1.00 0.00 C ATOM 1003 CD GLN A 65 10.951 4.393 -10.519 1.00 0.00 C ATOM 1004 OE1 GLN A 65 9.994 4.958 -11.033 1.00 0.00 O ATOM 1005 NE2 GLN A 65 10.920 4.145 -9.228 1.00 0.00 N ATOM 0 HA GLN A 65 10.223 3.603 -13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.200 4.287 -13.182 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.928 5.446 -12.851 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.313 2.896 -11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.077 4.417 -10.818 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.707 3.675 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.109 4.422 -8.675 1.00 0.00 H new ATOM 1014 N HIS A 66 10.559 5.387 -15.207 1.00 0.00 N ATOM 1015 CA HIS A 66 10.596 6.143 -16.467 1.00 0.00 C ATOM 1016 C HIS A 66 10.874 7.646 -16.289 1.00 0.00 C ATOM 1017 O HIS A 66 10.558 8.245 -15.259 1.00 0.00 O ATOM 1018 CB HIS A 66 9.325 5.880 -17.294 1.00 0.00 C ATOM 1019 CG HIS A 66 8.047 6.425 -16.700 1.00 0.00 C ATOM 1020 ND1 HIS A 66 7.006 5.687 -16.184 1.00 0.00 N ATOM 1021 CD2 HIS A 66 7.672 7.741 -16.639 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.028 6.534 -15.821 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.383 7.804 -16.092 1.00 0.00 N ATOM 0 H HIS A 66 10.071 5.869 -14.452 1.00 0.00 H new ATOM 0 HA HIS A 66 11.455 5.770 -17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.460 6.313 -18.285 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.214 4.804 -17.428 1.00 0.00 H new ATOM 0 HD1 HIS A 66 6.981 4.671 -16.093 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.267 8.584 -16.957 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.090 6.238 -15.375 1.00 0.00 H new ATOM 1031 N CYS A 67 11.438 8.252 -17.336 1.00 0.00 N ATOM 1032 CA CYS A 67 11.767 9.671 -17.448 1.00 0.00 C ATOM 1033 C CYS A 67 10.529 10.561 -17.649 1.00 0.00 C ATOM 1034 O CYS A 67 9.607 10.221 -18.398 1.00 0.00 O ATOM 1035 CB CYS A 67 12.776 9.775 -18.595 1.00 0.00 C ATOM 1036 SG CYS A 67 13.370 11.476 -18.861 1.00 0.00 S ATOM 0 H CYS A 67 11.691 7.733 -18.177 1.00 0.00 H new ATOM 0 HA CYS A 67 12.196 10.046 -16.519 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.627 9.127 -18.384 1.00 0.00 H new ATOM 0 HB3 CYS A 67 12.315 9.408 -19.512 1.00 0.00 H new ATOM 0 HG CYS A 67 14.646 11.456 -19.110 1.00 0.00 H new ATOM 1041 N ARG A 68 10.530 11.732 -17.001 1.00 0.00 N ATOM 1042 CA ARG A 68 9.471 12.755 -17.115 1.00 0.00 C ATOM 1043 C ARG A 68 9.705 13.764 -18.245 1.00 0.00 C ATOM 1044 O ARG A 68 8.855 14.627 -18.462 1.00 0.00 O ATOM 1045 CB ARG A 68 9.202 13.392 -15.736 1.00 0.00 C ATOM 1046 CG ARG A 68 10.295 14.339 -15.201 1.00 0.00 C ATOM 1047 CD ARG A 68 10.152 15.812 -15.624 1.00 0.00 C ATOM 1048 NE ARG A 68 8.974 16.467 -15.017 1.00 0.00 N ATOM 1049 CZ ARG A 68 7.854 16.849 -15.607 1.00 0.00 C ATOM 1050 NH1 ARG A 68 7.575 16.584 -16.853 1.00 0.00 N ATOM 1051 NH2 ARG A 68 6.961 17.520 -14.935 1.00 0.00 N ATOM 0 H ARG A 68 11.281 12.006 -16.368 1.00 0.00 H new ATOM 0 HA ARG A 68 8.553 12.255 -17.424 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.265 13.946 -15.791 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.057 12.591 -15.011 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.295 14.289 -14.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.266 13.974 -15.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.052 16.357 -15.340 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.075 15.868 -16.710 1.00 0.00 H new ATOM 0 HE ARG A 68 9.033 16.647 -14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.237 16.057 -17.423 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.695 16.903 -17.258 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.127 17.750 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.097 17.815 -15.389 1.00 0.00 H new ATOM 1065 N PHE A 69 10.834 13.675 -18.953 1.00 0.00 N ATOM 1066 CA PHE A 69 11.200 14.586 -20.048 1.00 0.00 C ATOM 1067 C PHE A 69 11.128 13.926 -21.440 1.00 0.00 C ATOM 1068 O PHE A 69 10.765 14.601 -22.407 1.00 0.00 O ATOM 1069 CB PHE A 69 12.613 15.132 -19.800 1.00 0.00 C ATOM 1070 CG PHE A 69 12.847 15.847 -18.483 1.00 0.00 C ATOM 1071 CD1 PHE A 69 12.568 17.223 -18.367 1.00 0.00 C ATOM 1072 CD2 PHE A 69 13.406 15.155 -17.389 1.00 0.00 C ATOM 1073 CE1 PHE A 69 12.862 17.904 -17.171 1.00 0.00 C ATOM 1074 CE2 PHE A 69 13.701 15.837 -16.196 1.00 0.00 C ATOM 1075 CZ PHE A 69 13.437 17.213 -16.089 1.00 0.00 C ATOM 0 H PHE A 69 11.535 12.955 -18.780 1.00 0.00 H new ATOM 0 HA PHE A 69 10.469 15.395 -20.052 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.315 14.301 -19.865 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.858 15.820 -20.609 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.128 17.756 -19.197 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.608 14.097 -17.468 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.646 18.959 -17.084 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.131 15.303 -15.361 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.675 17.740 -15.177 1.00 0.00 H new ATOM 1085 N CYS A 70 11.453 12.627 -21.548 1.00 0.00 N ATOM 1086 CA CYS A 70 11.476 11.864 -22.811 1.00 0.00 C ATOM 1087 C CYS A 70 10.745 10.498 -22.769 1.00 0.00 C ATOM 1088 O CYS A 70 10.750 9.761 -23.761 1.00 0.00 O ATOM 1089 CB CYS A 70 12.918 11.774 -23.337 1.00 0.00 C ATOM 1090 SG CYS A 70 13.967 10.735 -22.288 1.00 0.00 S ATOM 0 H CYS A 70 11.714 12.062 -20.740 1.00 0.00 H new ATOM 0 HA CYS A 70 10.878 12.425 -23.529 1.00 0.00 H new ATOM 0 HB2 CYS A 70 12.909 11.372 -24.350 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.344 12.775 -23.396 1.00 0.00 H new ATOM 0 HG CYS A 70 13.743 11.014 -21.038 1.00 0.00 H new ATOM 1095 N LYS A 71 10.088 10.166 -21.643 1.00 0.00 N ATOM 1096 CA LYS A 71 9.317 8.923 -21.401 1.00 0.00 C ATOM 1097 C LYS A 71 10.115 7.612 -21.544 1.00 0.00 C ATOM 1098 O LYS A 71 9.523 6.529 -21.536 1.00 0.00 O ATOM 1099 CB LYS A 71 8.000 8.940 -22.215 1.00 0.00 C ATOM 1100 CG LYS A 71 7.058 10.123 -21.907 1.00 0.00 C ATOM 1101 CD LYS A 71 5.951 9.818 -20.885 1.00 0.00 C ATOM 1102 CE LYS A 71 6.470 9.422 -19.496 1.00 0.00 C ATOM 1103 NZ LYS A 71 5.349 9.228 -18.539 1.00 0.00 N ATOM 0 H LYS A 71 10.077 10.786 -20.833 1.00 0.00 H new ATOM 0 HA LYS A 71 9.063 8.925 -20.341 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.247 8.959 -23.277 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.463 8.010 -22.029 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.654 10.957 -21.537 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.594 10.451 -22.837 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.312 10.695 -20.785 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.327 9.012 -21.271 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.051 8.503 -19.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.142 10.195 -19.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.701 8.754 -17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.948 10.153 -18.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.613 8.642 -18.981 1.00 0.00 H new ATOM 1117 N LYS A 72 11.450 7.682 -21.624 1.00 0.00 N ATOM 1118 CA LYS A 72 12.357 6.521 -21.677 1.00 0.00 C ATOM 1119 C LYS A 72 12.298 5.706 -20.378 1.00 0.00 C ATOM 1120 O LYS A 72 12.276 6.288 -19.292 1.00 0.00 O ATOM 1121 CB LYS A 72 13.785 7.013 -21.969 1.00 0.00 C ATOM 1122 CG LYS A 72 14.705 5.849 -22.364 1.00 0.00 C ATOM 1123 CD LYS A 72 16.049 6.342 -22.920 1.00 0.00 C ATOM 1124 CE LYS A 72 16.964 5.165 -23.281 1.00 0.00 C ATOM 1125 NZ LYS A 72 17.454 4.442 -22.078 1.00 0.00 N ATOM 0 H LYS A 72 11.946 8.573 -21.655 1.00 0.00 H new ATOM 0 HA LYS A 72 12.039 5.854 -22.478 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.761 7.750 -22.772 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.187 7.514 -21.088 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.882 5.216 -21.495 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.208 5.231 -23.112 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.877 6.957 -23.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.541 6.976 -22.182 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.423 4.471 -23.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.816 5.532 -23.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.208 3.780 -22.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.829 5.126 -21.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.669 3.913 -21.647 1.00 0.00 H new ATOM 1139 N LYS A 73 12.307 4.373 -20.477 1.00 0.00 N ATOM 1140 CA LYS A 73 12.327 3.453 -19.324 1.00 0.00 C ATOM 1141 C LYS A 73 13.751 3.176 -18.832 1.00 0.00 C ATOM 1142 O LYS A 73 14.691 3.105 -19.627 1.00 0.00 O ATOM 1143 CB LYS A 73 11.566 2.155 -19.649 1.00 0.00 C ATOM 1144 CG LYS A 73 10.050 2.409 -19.713 1.00 0.00 C ATOM 1145 CD LYS A 73 9.248 1.201 -20.219 1.00 0.00 C ATOM 1146 CE LYS A 73 9.334 -0.002 -19.269 1.00 0.00 C ATOM 1147 NZ LYS A 73 8.493 -1.132 -19.747 1.00 0.00 N ATOM 0 H LYS A 73 12.301 3.889 -21.375 1.00 0.00 H new ATOM 0 HA LYS A 73 11.810 3.944 -18.500 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.912 1.755 -20.602 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.781 1.403 -18.890 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.693 2.682 -18.720 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.859 3.261 -20.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.204 1.488 -20.343 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.617 0.910 -21.203 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.371 -0.328 -19.185 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.012 0.297 -18.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.573 -1.929 -19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.500 -0.826 -19.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.817 -1.432 -20.689 1.00 0.00 H new ATOM 1161 N TYR A 74 13.887 3.018 -17.516 1.00 0.00 N ATOM 1162 CA TYR A 74 15.155 2.891 -16.788 1.00 0.00 C ATOM 1163 C TYR A 74 15.161 1.716 -15.798 1.00 0.00 C ATOM 1164 O TYR A 74 14.163 1.431 -15.134 1.00 0.00 O ATOM 1165 CB TYR A 74 15.502 4.237 -16.123 1.00 0.00 C ATOM 1166 CG TYR A 74 16.329 5.086 -17.066 1.00 0.00 C ATOM 1167 CD1 TYR A 74 15.713 5.839 -18.085 1.00 0.00 C ATOM 1168 CD2 TYR A 74 17.727 4.954 -17.034 1.00 0.00 C ATOM 1169 CE1 TYR A 74 16.490 6.368 -19.135 1.00 0.00 C ATOM 1170 CE2 TYR A 74 18.509 5.475 -18.081 1.00 0.00 C ATOM 1171 CZ TYR A 74 17.883 6.142 -19.156 1.00 0.00 C ATOM 1172 OH TYR A 74 18.617 6.509 -20.243 1.00 0.00 O ATOM 0 H TYR A 74 13.078 2.973 -16.896 1.00 0.00 H new ATOM 0 HA TYR A 74 15.940 2.650 -17.505 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.587 4.765 -15.854 1.00 0.00 H new ATOM 0 HB3 TYR A 74 16.054 4.063 -15.199 1.00 0.00 H new ATOM 0 HD1 TYR A 74 14.647 6.011 -18.062 1.00 0.00 H new ATOM 0 HD2 TYR A 74 18.202 4.452 -16.204 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.022 6.944 -19.920 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.583 5.365 -18.062 1.00 0.00 H new ATOM 0 HH TYR A 74 18.566 7.481 -20.359 1.00 0.00 H new ATOM 1182 N SER A 75 16.310 1.038 -15.709 1.00 0.00 N ATOM 1183 CA SER A 75 16.526 -0.204 -14.946 1.00 0.00 C ATOM 1184 C SER A 75 16.661 -0.004 -13.430 1.00 0.00 C ATOM 1185 O SER A 75 16.405 -0.924 -12.651 1.00 0.00 O ATOM 1186 CB SER A 75 17.791 -0.886 -15.479 1.00 0.00 C ATOM 1187 OG SER A 75 18.904 0.005 -15.448 1.00 0.00 O ATOM 0 H SER A 75 17.155 1.351 -16.187 1.00 0.00 H new ATOM 0 HA SER A 75 15.636 -0.817 -15.088 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.012 -1.770 -14.880 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.622 -1.227 -16.500 1.00 0.00 H new ATOM 0 HG SER A 75 19.699 -0.453 -15.791 1.00 0.00 H new ATOM 1193 N ASP A 76 17.051 1.199 -13.008 1.00 0.00 N ATOM 1194 CA ASP A 76 17.224 1.620 -11.617 1.00 0.00 C ATOM 1195 C ASP A 76 16.897 3.117 -11.519 1.00 0.00 C ATOM 1196 O ASP A 76 17.205 3.877 -12.444 1.00 0.00 O ATOM 1197 CB ASP A 76 18.678 1.341 -11.183 1.00 0.00 C ATOM 1198 CG ASP A 76 18.882 1.392 -9.662 1.00 0.00 C ATOM 1199 OD1 ASP A 76 18.629 2.453 -9.051 1.00 0.00 O ATOM 1200 OD2 ASP A 76 19.314 0.372 -9.076 1.00 0.00 O ATOM 0 H ASP A 76 17.267 1.949 -13.665 1.00 0.00 H new ATOM 0 HA ASP A 76 16.557 1.067 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.976 0.359 -11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 76 19.336 2.070 -11.655 1.00 0.00 H new ATOM 1205 N VAL A 77 16.316 3.569 -10.403 1.00 0.00 N ATOM 1206 CA VAL A 77 16.095 5.004 -10.169 1.00 0.00 C ATOM 1207 C VAL A 77 17.410 5.785 -10.212 1.00 0.00 C ATOM 1208 O VAL A 77 17.443 6.848 -10.819 1.00 0.00 O ATOM 1209 CB VAL A 77 15.316 5.251 -8.861 1.00 0.00 C ATOM 1210 CG1 VAL A 77 16.120 4.975 -7.584 1.00 0.00 C ATOM 1211 CG2 VAL A 77 14.777 6.684 -8.808 1.00 0.00 C ATOM 0 H VAL A 77 15.990 2.966 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 77 15.474 5.380 -10.982 1.00 0.00 H new ATOM 0 HB VAL A 77 14.497 4.532 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.497 5.174 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 77 16.438 3.933 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 77 16.997 5.622 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.232 6.833 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.608 7.387 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.107 6.852 -9.651 1.00 0.00 H new ATOM 1221 N LYS A 78 18.524 5.245 -9.696 1.00 0.00 N ATOM 1222 CA LYS A 78 19.843 5.908 -9.739 1.00 0.00 C ATOM 1223 C LYS A 78 20.355 6.096 -11.170 1.00 0.00 C ATOM 1224 O LYS A 78 20.948 7.132 -11.480 1.00 0.00 O ATOM 1225 CB LYS A 78 20.860 5.130 -8.886 1.00 0.00 C ATOM 1226 CG LYS A 78 20.500 5.165 -7.392 1.00 0.00 C ATOM 1227 CD LYS A 78 21.586 4.490 -6.544 1.00 0.00 C ATOM 1228 CE LYS A 78 21.217 4.572 -5.058 1.00 0.00 C ATOM 1229 NZ LYS A 78 22.274 3.981 -4.195 1.00 0.00 N ATOM 0 H LYS A 78 18.539 4.335 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 78 19.720 6.906 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.902 4.095 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 78 21.854 5.553 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.373 6.199 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.546 4.662 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.697 3.448 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.547 4.975 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.060 5.614 -4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.275 4.051 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.989 4.055 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.406 2.980 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.167 4.494 -4.339 1.00 0.00 H new ATOM 1243 N ASN A 79 20.062 5.150 -12.067 1.00 0.00 N ATOM 1244 CA ASN A 79 20.391 5.276 -13.488 1.00 0.00 C ATOM 1245 C ASN A 79 19.515 6.328 -14.189 1.00 0.00 C ATOM 1246 O ASN A 79 20.009 7.056 -15.054 1.00 0.00 O ATOM 1247 CB ASN A 79 20.284 3.899 -14.177 1.00 0.00 C ATOM 1248 CG ASN A 79 21.340 2.892 -13.743 1.00 0.00 C ATOM 1249 OD1 ASN A 79 22.394 3.228 -13.222 1.00 0.00 O ATOM 1250 ND2 ASN A 79 21.103 1.619 -13.970 1.00 0.00 N ATOM 0 H ASN A 79 19.591 4.277 -11.828 1.00 0.00 H new ATOM 0 HA ASN A 79 21.420 5.627 -13.570 1.00 0.00 H new ATOM 0 HB2 ASN A 79 19.298 3.482 -13.975 1.00 0.00 H new ATOM 0 HB3 ASN A 79 20.356 4.040 -15.255 1.00 0.00 H new ATOM 0 HD21 ASN A 79 21.797 0.917 -13.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 20.225 1.333 -14.404 1.00 0.00 H new ATOM 1257 N LEU A 80 18.252 6.471 -13.775 1.00 0.00 N ATOM 1258 CA LEU A 80 17.371 7.538 -14.254 1.00 0.00 C ATOM 1259 C LEU A 80 17.898 8.933 -13.874 1.00 0.00 C ATOM 1260 O LEU A 80 17.872 9.841 -14.704 1.00 0.00 O ATOM 1261 CB LEU A 80 15.960 7.309 -13.696 1.00 0.00 C ATOM 1262 CG LEU A 80 14.918 8.328 -14.178 1.00 0.00 C ATOM 1263 CD1 LEU A 80 14.712 8.262 -15.687 1.00 0.00 C ATOM 1264 CD2 LEU A 80 13.580 8.057 -13.496 1.00 0.00 C ATOM 0 H LEU A 80 17.812 5.849 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 80 17.342 7.505 -15.343 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.629 6.309 -13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.003 7.338 -12.607 1.00 0.00 H new ATOM 0 HG LEU A 80 15.291 9.319 -13.921 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.967 9.000 -15.985 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.654 8.473 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.367 7.266 -15.964 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.843 8.782 -13.840 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.243 7.051 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.698 8.144 -12.416 1.00 0.00 H new ATOM 1276 N ILE A 81 18.425 9.106 -12.653 1.00 0.00 N ATOM 1277 CA ILE A 81 19.028 10.384 -12.230 1.00 0.00 C ATOM 1278 C ILE A 81 20.224 10.725 -13.118 1.00 0.00 C ATOM 1279 O ILE A 81 20.321 11.841 -13.624 1.00 0.00 O ATOM 1280 CB ILE A 81 19.482 10.370 -10.755 1.00 0.00 C ATOM 1281 CG1 ILE A 81 18.455 9.768 -9.790 1.00 0.00 C ATOM 1282 CG2 ILE A 81 19.869 11.790 -10.315 1.00 0.00 C ATOM 1283 CD1 ILE A 81 17.027 10.313 -9.892 1.00 0.00 C ATOM 0 H ILE A 81 18.447 8.378 -11.939 1.00 0.00 H new ATOM 0 HA ILE A 81 18.252 11.142 -12.332 1.00 0.00 H new ATOM 0 HB ILE A 81 20.349 9.712 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 81 18.423 8.691 -9.953 1.00 0.00 H new ATOM 0 HG13 ILE A 81 18.809 9.925 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 81 20.189 11.774 -9.273 1.00 0.00 H new ATOM 0 HG22 ILE A 81 20.685 12.155 -10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 81 19.009 12.451 -10.420 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.393 9.812 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 81 17.032 11.385 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 81 16.639 10.131 -10.894 1.00 0.00 H new ATOM 1295 N LYS A 82 21.106 9.750 -13.361 1.00 0.00 N ATOM 1296 CA LYS A 82 22.279 9.912 -14.230 1.00 0.00 C ATOM 1297 C LYS A 82 21.884 10.291 -15.667 1.00 0.00 C ATOM 1298 O LYS A 82 22.479 11.199 -16.241 1.00 0.00 O ATOM 1299 CB LYS A 82 23.114 8.623 -14.154 1.00 0.00 C ATOM 1300 CG LYS A 82 24.431 8.706 -14.941 1.00 0.00 C ATOM 1301 CD LYS A 82 25.353 7.503 -14.683 1.00 0.00 C ATOM 1302 CE LYS A 82 24.723 6.171 -15.119 1.00 0.00 C ATOM 1303 NZ LYS A 82 25.643 5.027 -14.879 1.00 0.00 N ATOM 0 H LYS A 82 21.026 8.817 -12.957 1.00 0.00 H new ATOM 0 HA LYS A 82 22.888 10.746 -13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 82 23.336 8.403 -13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.522 7.791 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 82 24.210 8.767 -16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 82 24.954 9.624 -14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 82 26.292 7.649 -15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 25.594 7.456 -13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.793 6.012 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 82 24.468 6.218 -16.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.186 4.144 -15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 26.520 5.168 -15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 25.867 4.968 -13.865 1.00 0.00 H new ATOM 1317 N HIS A 83 20.822 9.690 -16.210 1.00 0.00 N ATOM 1318 CA HIS A 83 20.219 10.086 -17.490 1.00 0.00 C ATOM 1319 C HIS A 83 19.699 11.530 -17.486 1.00 0.00 C ATOM 1320 O HIS A 83 19.982 12.280 -18.418 1.00 0.00 O ATOM 1321 CB HIS A 83 19.105 9.089 -17.840 1.00 0.00 C ATOM 1322 CG HIS A 83 18.170 9.558 -18.926 1.00 0.00 C ATOM 1323 ND1 HIS A 83 18.415 9.538 -20.277 1.00 0.00 N ATOM 1324 CD2 HIS A 83 16.917 10.082 -18.752 1.00 0.00 C ATOM 1325 CE1 HIS A 83 17.339 10.014 -20.913 1.00 0.00 C ATOM 1326 NE2 HIS A 83 16.384 10.384 -20.024 1.00 0.00 N ATOM 0 H HIS A 83 20.348 8.902 -15.768 1.00 0.00 H new ATOM 0 HA HIS A 83 20.994 10.060 -18.256 1.00 0.00 H new ATOM 0 HB2 HIS A 83 19.560 8.148 -18.150 1.00 0.00 H new ATOM 0 HB3 HIS A 83 18.524 8.881 -16.941 1.00 0.00 H new ATOM 0 HD1 HIS A 83 19.274 9.214 -20.721 1.00 0.00 H new ATOM 0 HD2 HIS A 83 16.422 10.237 -17.805 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.244 10.093 -21.986 1.00 0.00 H new ATOM 1334 N ILE A 84 19.000 11.964 -16.436 1.00 0.00 N ATOM 1335 CA ILE A 84 18.531 13.354 -16.309 1.00 0.00 C ATOM 1336 C ILE A 84 19.716 14.325 -16.227 1.00 0.00 C ATOM 1337 O ILE A 84 19.729 15.331 -16.933 1.00 0.00 O ATOM 1338 CB ILE A 84 17.556 13.461 -15.117 1.00 0.00 C ATOM 1339 CG1 ILE A 84 16.238 12.733 -15.472 1.00 0.00 C ATOM 1340 CG2 ILE A 84 17.275 14.923 -14.724 1.00 0.00 C ATOM 1341 CD1 ILE A 84 15.412 12.358 -14.241 1.00 0.00 C ATOM 0 H ILE A 84 18.741 11.368 -15.650 1.00 0.00 H new ATOM 0 HA ILE A 84 17.977 13.646 -17.201 1.00 0.00 H new ATOM 0 HB ILE A 84 18.022 12.987 -14.253 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.641 13.372 -16.123 1.00 0.00 H new ATOM 0 HG13 ILE A 84 16.469 11.830 -16.037 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.584 14.947 -13.881 1.00 0.00 H new ATOM 0 HG22 ILE A 84 18.209 15.410 -14.442 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.833 15.449 -15.570 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.500 11.850 -14.556 1.00 0.00 H new ATOM 0 HD12 ILE A 84 15.994 11.695 -13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.152 13.261 -13.688 1.00 0.00 H new ATOM 1353 N ARG A 85 20.757 13.988 -15.458 1.00 0.00 N ATOM 1354 CA ARG A 85 22.016 14.758 -15.364 1.00 0.00 C ATOM 1355 C ARG A 85 22.853 14.792 -16.653 1.00 0.00 C ATOM 1356 O ARG A 85 23.693 15.678 -16.798 1.00 0.00 O ATOM 1357 CB ARG A 85 22.875 14.216 -14.211 1.00 0.00 C ATOM 1358 CG ARG A 85 22.252 14.537 -12.842 1.00 0.00 C ATOM 1359 CD ARG A 85 23.165 14.159 -11.667 1.00 0.00 C ATOM 1360 NE ARG A 85 24.397 14.978 -11.627 1.00 0.00 N ATOM 1361 CZ ARG A 85 24.522 16.216 -11.176 1.00 0.00 C ATOM 1362 NH1 ARG A 85 23.545 16.892 -10.649 1.00 0.00 N ATOM 1363 NH2 ARG A 85 25.653 16.852 -11.236 1.00 0.00 N ATOM 0 H ARG A 85 20.754 13.156 -14.868 1.00 0.00 H new ATOM 0 HA ARG A 85 21.711 15.788 -15.180 1.00 0.00 H new ATOM 0 HB2 ARG A 85 22.987 13.137 -14.316 1.00 0.00 H new ATOM 0 HB3 ARG A 85 23.874 14.648 -14.267 1.00 0.00 H new ATOM 0 HG2 ARG A 85 22.026 15.602 -12.792 1.00 0.00 H new ATOM 0 HG3 ARG A 85 21.305 14.005 -12.746 1.00 0.00 H new ATOM 0 HD2 ARG A 85 22.619 14.282 -10.732 1.00 0.00 H new ATOM 0 HD3 ARG A 85 23.434 13.105 -11.743 1.00 0.00 H new ATOM 0 HE ARG A 85 25.244 14.539 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 85 22.620 16.470 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 85 23.703 17.844 -10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 85 26.473 16.398 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 85 25.721 17.806 -10.881 1.00 0.00 H new ATOM 1377 N ASP A 86 22.636 13.859 -17.578 1.00 0.00 N ATOM 1378 CA ASP A 86 23.342 13.786 -18.866 1.00 0.00 C ATOM 1379 C ASP A 86 22.556 14.409 -20.038 1.00 0.00 C ATOM 1380 O ASP A 86 23.145 15.102 -20.872 1.00 0.00 O ATOM 1381 CB ASP A 86 23.701 12.322 -19.179 1.00 0.00 C ATOM 1382 CG ASP A 86 24.864 11.738 -18.351 1.00 0.00 C ATOM 1383 OD1 ASP A 86 25.671 12.499 -17.763 1.00 0.00 O ATOM 1384 OD2 ASP A 86 25.030 10.494 -18.365 1.00 0.00 O ATOM 0 H ASP A 86 21.950 13.114 -17.455 1.00 0.00 H new ATOM 0 HA ASP A 86 24.249 14.382 -18.761 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.817 11.706 -19.018 1.00 0.00 H new ATOM 0 HB3 ASP A 86 23.955 12.245 -20.236 1.00 0.00 H new ATOM 1389 N ALA A 87 21.241 14.170 -20.115 1.00 0.00 N ATOM 1390 CA ALA A 87 20.385 14.529 -21.254 1.00 0.00 C ATOM 1391 C ALA A 87 19.433 15.715 -20.991 1.00 0.00 C ATOM 1392 O ALA A 87 19.037 16.402 -21.935 1.00 0.00 O ATOM 1393 CB ALA A 87 19.601 13.273 -21.661 1.00 0.00 C ATOM 0 H ALA A 87 20.727 13.708 -19.365 1.00 0.00 H new ATOM 0 HA ALA A 87 21.031 14.877 -22.060 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.954 13.506 -22.507 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.298 12.485 -21.944 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.993 12.935 -20.821 1.00 0.00 H new ATOM 1399 N HIS A 88 19.062 15.958 -19.728 1.00 0.00 N ATOM 1400 CA HIS A 88 18.059 16.954 -19.311 1.00 0.00 C ATOM 1401 C HIS A 88 18.592 17.909 -18.217 1.00 0.00 C ATOM 1402 O HIS A 88 17.840 18.416 -17.380 1.00 0.00 O ATOM 1403 CB HIS A 88 16.796 16.210 -18.857 1.00 0.00 C ATOM 1404 CG HIS A 88 16.290 15.157 -19.813 1.00 0.00 C ATOM 1405 ND1 HIS A 88 15.964 15.323 -21.139 1.00 0.00 N ATOM 1406 CD2 HIS A 88 16.058 13.847 -19.505 1.00 0.00 C ATOM 1407 CE1 HIS A 88 15.540 14.146 -21.624 1.00 0.00 C ATOM 1408 NE2 HIS A 88 15.566 13.199 -20.656 1.00 0.00 N ATOM 0 H HIS A 88 19.464 15.451 -18.939 1.00 0.00 H new ATOM 0 HA HIS A 88 17.821 17.595 -20.160 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.998 15.738 -17.896 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.003 16.940 -18.693 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.223 13.386 -18.543 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.223 13.978 -22.643 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.288 12.221 -20.742 1.00 0.00 H new