USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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: B 12 HIS : no HE2:sc= -4.95! C(o=-3.9!,f=-4.1!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.0168 X(o=-3.9,f=-4.3) USER MOD Set 1.3: B 40 CYS SG : rot -142:sc= 0.419 USER MOD Set 1.4: B 42 GLN : amide:sc= 0 X(o=-3.9,f=-3.9) USER MOD Set 1.5: B 43 CYS SG : rot 138:sc= 0.64 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -4.81! C(o=-3.7!,f=-4.1!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= 0.0129 X(o=-3.7,f=-4.2) USER MOD Set 2.3: A 40 CYS SG : rot -142:sc= 0.422 USER MOD Set 2.4: A 42 GLN : amide:sc= 0 X(o=-3.7,f=-3.9) USER MOD Set 2.5: A 43 CYS SG : rot 138:sc= 0.659 USER MOD Single : A 9 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.0082) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 82:sc= 1.22 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0.794) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.4 F(o=-1.9,f=-1.4) USER MOD Single : B 9 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.005) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0.00407 USER MOD Single : B 18 ASN : amide:sc=-0.00935 K(o=-0.0093,f=-1.4) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 91:sc= 1.19 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 163:sc= 1 (180deg=0.775) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.31) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -8.926 -6.698 -12.057 1.00 0.00 N ATOM 99 CA GLU A 6 -9.355 -5.846 -13.162 1.00 0.00 C ATOM 100 C GLU A 6 -10.882 -5.804 -13.251 1.00 0.00 C ATOM 101 O GLU A 6 -11.480 -4.730 -13.203 1.00 0.00 O ATOM 102 CB GLU A 6 -8.753 -6.328 -14.486 1.00 0.00 C ATOM 103 CG GLU A 6 -7.451 -5.630 -14.847 1.00 0.00 C ATOM 104 CD GLU A 6 -7.650 -4.498 -15.837 1.00 0.00 C ATOM 105 OE1 GLU A 6 -8.296 -4.729 -16.880 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.160 -3.382 -15.567 1.00 0.00 O ATOM 0 HA GLU A 6 -8.994 -4.836 -12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.577 -7.402 -14.427 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.476 -6.167 -15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.990 -5.238 -13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.758 -6.358 -15.268 1.00 0.00 H new ATOM 113 N PRO A 7 -11.549 -6.975 -13.372 1.00 0.00 N ATOM 114 CA PRO A 7 -13.013 -7.044 -13.454 1.00 0.00 C ATOM 115 C PRO A 7 -13.701 -6.180 -12.397 1.00 0.00 C ATOM 116 O PRO A 7 -14.761 -5.604 -12.644 1.00 0.00 O ATOM 117 CB PRO A 7 -13.310 -8.520 -13.197 1.00 0.00 C ATOM 118 CG PRO A 7 -12.101 -9.240 -13.682 1.00 0.00 C ATOM 119 CD PRO A 7 -10.935 -8.320 -13.433 1.00 0.00 C ATOM 0 HA PRO A 7 -13.382 -6.674 -14.411 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.485 -8.710 -12.138 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.204 -8.843 -13.731 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.972 -10.184 -13.153 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.189 -9.478 -14.742 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.422 -8.568 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.196 -8.386 -14.232 1.00 0.00 H new ATOM 127 N ALA A 8 -13.086 -6.097 -11.222 1.00 0.00 N ATOM 128 CA ALA A 8 -13.633 -5.307 -10.125 1.00 0.00 C ATOM 129 C ALA A 8 -13.579 -3.816 -10.439 1.00 0.00 C ATOM 130 O ALA A 8 -14.433 -3.048 -9.996 1.00 0.00 O ATOM 131 CB ALA A 8 -12.879 -5.607 -8.838 1.00 0.00 C ATOM 0 H ALA A 8 -12.208 -6.568 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.679 -5.583 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.295 -5.012 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.975 -6.666 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.826 -5.358 -8.967 1.00 0.00 H new ATOM 137 N GLN A 9 -12.572 -3.415 -11.207 1.00 0.00 N ATOM 138 CA GLN A 9 -12.409 -2.013 -11.581 1.00 0.00 C ATOM 139 C GLN A 9 -13.512 -1.579 -12.542 1.00 0.00 C ATOM 140 O GLN A 9 -14.103 -0.512 -12.383 1.00 0.00 O ATOM 141 CB GLN A 9 -11.037 -1.787 -12.218 1.00 0.00 C ATOM 142 CG GLN A 9 -9.914 -1.647 -11.204 1.00 0.00 C ATOM 143 CD GLN A 9 -8.540 -1.741 -11.841 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.049 -0.780 -12.431 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.911 -2.905 -11.722 1.00 0.00 N ATOM 0 H GLN A 9 -11.857 -4.038 -11.583 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.481 -1.409 -10.677 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.813 -2.620 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.074 -0.888 -12.833 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.009 -0.689 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.014 -2.425 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.355 -3.676 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.984 -3.027 -12.129 1.00 0.00 H new ATOM 154 N GLU A 10 -13.786 -2.418 -13.537 1.00 0.00 N ATOM 155 CA GLU A 10 -14.823 -2.122 -14.520 1.00 0.00 C ATOM 156 C GLU A 10 -16.204 -2.145 -13.872 1.00 0.00 C ATOM 157 O GLU A 10 -17.110 -1.422 -14.289 1.00 0.00 O ATOM 158 CB GLU A 10 -14.767 -3.129 -15.669 1.00 0.00 C ATOM 159 CG GLU A 10 -13.411 -3.198 -16.354 1.00 0.00 C ATOM 160 CD GLU A 10 -13.275 -4.408 -17.256 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.258 -4.747 -17.947 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.184 -5.016 -17.274 1.00 0.00 O ATOM 0 H GLU A 10 -13.306 -3.306 -13.684 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.643 -1.122 -14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.022 -4.117 -15.287 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.525 -2.867 -16.408 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.258 -2.293 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.627 -3.223 -15.597 1.00 0.00 H new ATOM 169 N GLU A 11 -16.357 -2.980 -12.850 1.00 0.00 N ATOM 170 CA GLU A 11 -17.626 -3.100 -12.139 1.00 0.00 C ATOM 171 C GLU A 11 -17.965 -1.809 -11.405 1.00 0.00 C ATOM 172 O GLU A 11 -19.108 -1.354 -11.438 1.00 0.00 O ATOM 173 CB GLU A 11 -17.569 -4.264 -11.149 1.00 0.00 C ATOM 174 CG GLU A 11 -18.863 -4.471 -10.377 1.00 0.00 C ATOM 175 CD GLU A 11 -19.964 -5.070 -11.231 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.480 -4.359 -12.120 1.00 0.00 O ATOM 177 OE2 GLU A 11 -20.312 -6.249 -11.012 1.00 0.00 O ATOM 0 H GLU A 11 -15.617 -3.585 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.408 -3.293 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.328 -5.179 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.758 -4.089 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.673 -5.124 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.199 -3.515 -9.976 1.00 0.00 H new ATOM 184 N HIS A 12 -16.975 -1.219 -10.741 1.00 0.00 N ATOM 185 CA HIS A 12 -17.203 0.019 -10.008 1.00 0.00 C ATOM 186 C HIS A 12 -17.664 1.131 -10.951 1.00 0.00 C ATOM 187 O HIS A 12 -18.538 1.923 -10.611 1.00 0.00 O ATOM 188 CB HIS A 12 -15.944 0.472 -9.250 1.00 0.00 C ATOM 189 CG HIS A 12 -16.195 1.708 -8.446 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.216 1.756 -7.067 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.570 2.931 -8.872 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.618 2.986 -6.709 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.844 3.732 -7.774 1.00 0.00 N ATOM 0 H HIS A 12 -16.020 -1.574 -10.696 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.987 -0.181 -9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.609 -0.329 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.139 0.658 -9.961 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.971 0.995 -6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.645 3.238 -9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.740 3.319 -5.689 1.00 0.00 H new ATOM 201 N GLU A 13 -17.061 1.192 -12.127 1.00 0.00 N ATOM 202 CA GLU A 13 -17.401 2.218 -13.106 1.00 0.00 C ATOM 203 C GLU A 13 -18.851 2.105 -13.590 1.00 0.00 C ATOM 204 O GLU A 13 -19.355 3.015 -14.247 1.00 0.00 O ATOM 205 CB GLU A 13 -16.453 2.135 -14.302 1.00 0.00 C ATOM 206 CG GLU A 13 -15.079 2.729 -14.033 1.00 0.00 C ATOM 207 CD GLU A 13 -14.055 2.328 -15.077 1.00 0.00 C ATOM 208 OE1 GLU A 13 -14.317 2.545 -16.279 1.00 0.00 O ATOM 209 OE2 GLU A 13 -12.993 1.796 -14.693 1.00 0.00 O ATOM 0 H GLU A 13 -16.333 0.544 -12.429 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.294 3.183 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.338 1.091 -14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.904 2.653 -15.149 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.157 3.816 -14.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.735 2.408 -13.050 1.00 0.00 H new ATOM 216 N LYS A 14 -19.516 0.985 -13.293 1.00 0.00 N ATOM 217 CA LYS A 14 -20.891 0.787 -13.740 1.00 0.00 C ATOM 218 C LYS A 14 -21.916 0.916 -12.607 1.00 0.00 C ATOM 219 O LYS A 14 -23.082 1.210 -12.865 1.00 0.00 O ATOM 220 CB LYS A 14 -21.023 -0.585 -14.403 1.00 0.00 C ATOM 221 CG LYS A 14 -21.901 -0.579 -15.642 1.00 0.00 C ATOM 222 CD LYS A 14 -22.232 -1.994 -16.090 1.00 0.00 C ATOM 223 CE LYS A 14 -21.171 -2.552 -17.029 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.678 -2.689 -18.421 1.00 0.00 N ATOM 0 H LYS A 14 -19.128 0.212 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.110 1.579 -14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.031 -0.946 -14.673 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.433 -1.291 -13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.823 -0.036 -15.435 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.393 -0.049 -16.448 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.321 -2.640 -15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.200 -2.000 -16.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.300 -1.897 -17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.840 -3.525 -16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.926 -3.072 -19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.493 -3.334 -18.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.970 -1.757 -18.778 1.00 0.00 H new ATOM 238 N TYR A 15 -21.499 0.683 -11.363 1.00 0.00 N ATOM 239 CA TYR A 15 -22.433 0.769 -10.236 1.00 0.00 C ATOM 240 C TYR A 15 -21.822 1.430 -8.992 1.00 0.00 C ATOM 241 O TYR A 15 -22.436 1.421 -7.924 1.00 0.00 O ATOM 242 CB TYR A 15 -22.929 -0.631 -9.870 1.00 0.00 C ATOM 243 CG TYR A 15 -23.511 -1.400 -11.036 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.852 -1.270 -11.375 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.722 -2.260 -11.792 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.391 -1.972 -12.435 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.255 -2.966 -12.854 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.590 -2.820 -13.171 1.00 0.00 C ATOM 249 OH TYR A 15 -25.121 -3.520 -14.228 1.00 0.00 O ATOM 0 H TYR A 15 -20.542 0.438 -11.111 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.259 1.401 -10.562 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.101 -1.201 -9.449 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.686 -0.545 -9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.483 -0.609 -10.800 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.677 -2.378 -11.546 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.435 -1.858 -12.687 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.629 -3.629 -13.433 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.422 -4.070 -14.640 1.00 0.00 H new ATOM 259 N HIS A 16 -20.617 1.990 -9.120 1.00 0.00 N ATOM 260 CA HIS A 16 -19.930 2.640 -7.995 1.00 0.00 C ATOM 261 C HIS A 16 -20.013 1.806 -6.714 1.00 0.00 C ATOM 262 O HIS A 16 -20.176 2.343 -5.618 1.00 0.00 O ATOM 263 CB HIS A 16 -20.491 4.042 -7.736 1.00 0.00 C ATOM 264 CG HIS A 16 -20.270 5.010 -8.861 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.095 5.718 -8.998 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.109 5.361 -9.868 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.244 6.473 -10.069 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.449 6.292 -10.631 1.00 0.00 N ATOM 0 H HIS A 16 -20.093 2.008 -9.995 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.881 2.725 -8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.561 3.963 -7.544 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.034 4.443 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -18.275 5.668 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.106 4.981 -10.037 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.492 7.151 -10.446 1.00 0.00 H new ATOM 276 N SER A 17 -19.903 0.489 -6.866 1.00 0.00 N ATOM 277 CA SER A 17 -19.968 -0.421 -5.726 1.00 0.00 C ATOM 278 C SER A 17 -18.888 -0.096 -4.699 1.00 0.00 C ATOM 279 O SER A 17 -17.890 0.553 -5.016 1.00 0.00 O ATOM 280 CB SER A 17 -19.821 -1.870 -6.196 1.00 0.00 C ATOM 281 OG SER A 17 -20.593 -2.111 -7.358 1.00 0.00 O ATOM 0 H SER A 17 -19.769 0.028 -7.766 1.00 0.00 H new ATOM 0 HA SER A 17 -20.941 -0.294 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.772 -2.084 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.134 -2.547 -5.401 1.00 0.00 H new ATOM 0 HG SER A 17 -20.480 -3.043 -7.638 1.00 0.00 H new ATOM 287 N ASN A 18 -19.098 -0.549 -3.468 1.00 0.00 N ATOM 288 CA ASN A 18 -18.148 -0.308 -2.390 1.00 0.00 C ATOM 289 C ASN A 18 -17.099 -1.414 -2.330 1.00 0.00 C ATOM 290 O ASN A 18 -17.090 -2.320 -3.163 1.00 0.00 O ATOM 291 CB ASN A 18 -18.885 -0.207 -1.053 1.00 0.00 C ATOM 292 CG ASN A 18 -19.713 1.059 -0.942 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.498 2.021 -1.678 1.00 0.00 O ATOM 294 ND2 ASN A 18 -20.668 1.062 -0.018 1.00 0.00 N ATOM 0 H ASN A 18 -19.920 -1.086 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.638 0.635 -2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.535 -1.074 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.161 -0.236 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -21.258 1.885 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.811 0.241 0.571 1.00 0.00 H new ATOM 301 N VAL A 19 -16.217 -1.334 -1.337 1.00 0.00 N ATOM 302 CA VAL A 19 -15.164 -2.329 -1.164 1.00 0.00 C ATOM 303 C VAL A 19 -15.752 -3.677 -0.759 1.00 0.00 C ATOM 304 O VAL A 19 -15.420 -4.711 -1.339 1.00 0.00 O ATOM 305 CB VAL A 19 -14.140 -1.884 -0.100 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.979 -2.870 -0.018 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.636 -0.482 -0.397 1.00 0.00 C ATOM 0 H VAL A 19 -16.211 -0.590 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.656 -2.428 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.640 -1.870 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.270 -2.535 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.358 -3.856 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.479 -2.924 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.915 -0.186 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.157 -0.467 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.474 0.214 -0.393 1.00 0.00 H new ATOM 317 N LYS A 20 -16.625 -3.653 0.245 1.00 0.00 N ATOM 318 CA LYS A 20 -17.264 -4.871 0.741 1.00 0.00 C ATOM 319 C LYS A 20 -17.946 -5.642 -0.389 1.00 0.00 C ATOM 320 O LYS A 20 -17.843 -6.865 -0.470 1.00 0.00 O ATOM 321 CB LYS A 20 -18.287 -4.528 1.826 1.00 0.00 C ATOM 322 CG LYS A 20 -18.559 -5.669 2.792 1.00 0.00 C ATOM 323 CD LYS A 20 -19.753 -6.499 2.350 1.00 0.00 C ATOM 324 CE LYS A 20 -19.827 -7.824 3.095 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.211 -8.135 3.541 1.00 0.00 N ATOM 0 H LYS A 20 -16.907 -2.802 0.732 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.486 -5.506 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.931 -3.665 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.223 -4.235 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.677 -6.306 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.742 -5.268 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.670 -5.935 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.688 -6.688 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.466 -8.624 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.166 -7.791 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.217 -9.045 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.547 -7.385 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.838 -8.193 2.713 1.00 0.00 H new ATOM 339 N GLU A 21 -18.644 -4.917 -1.256 1.00 0.00 N ATOM 340 CA GLU A 21 -19.342 -5.532 -2.378 1.00 0.00 C ATOM 341 C GLU A 21 -18.353 -6.135 -3.371 1.00 0.00 C ATOM 342 O GLU A 21 -18.515 -7.272 -3.811 1.00 0.00 O ATOM 343 CB GLU A 21 -20.225 -4.505 -3.086 1.00 0.00 C ATOM 344 CG GLU A 21 -21.026 -5.084 -4.239 1.00 0.00 C ATOM 345 CD GLU A 21 -22.404 -4.461 -4.363 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.516 -3.394 -5.004 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.368 -5.038 -3.818 1.00 0.00 O ATOM 0 H GLU A 21 -18.741 -3.903 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.970 -6.331 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.912 -4.067 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.598 -3.696 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.478 -4.933 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.129 -6.160 -4.101 1.00 0.00 H new ATOM 354 N LEU A 22 -17.330 -5.363 -3.719 1.00 0.00 N ATOM 355 CA LEU A 22 -16.316 -5.820 -4.661 1.00 0.00 C ATOM 356 C LEU A 22 -15.515 -6.977 -4.079 1.00 0.00 C ATOM 357 O LEU A 22 -15.146 -7.911 -4.792 1.00 0.00 O ATOM 358 CB LEU A 22 -15.379 -4.668 -5.031 1.00 0.00 C ATOM 359 CG LEU A 22 -16.011 -3.574 -5.894 1.00 0.00 C ATOM 360 CD1 LEU A 22 -15.086 -2.373 -5.999 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.345 -4.116 -7.276 1.00 0.00 C ATOM 0 H LEU A 22 -17.181 -4.419 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.822 -6.170 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.004 -4.215 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.518 -5.075 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 22 -16.936 -3.250 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.554 -1.606 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.897 -1.971 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.143 -2.679 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.794 -3.326 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.433 -4.467 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -17.048 -4.944 -7.182 1.00 0.00 H new ATOM 373 N SER A 23 -15.243 -6.910 -2.781 1.00 0.00 N ATOM 374 CA SER A 23 -14.483 -7.954 -2.105 1.00 0.00 C ATOM 375 C SER A 23 -15.318 -9.221 -1.938 1.00 0.00 C ATOM 376 O SER A 23 -14.804 -10.335 -2.045 1.00 0.00 O ATOM 377 CB SER A 23 -14.007 -7.464 -0.738 1.00 0.00 C ATOM 378 OG SER A 23 -13.527 -8.539 0.052 1.00 0.00 O ATOM 0 H SER A 23 -15.538 -6.144 -2.176 1.00 0.00 H new ATOM 0 HA SER A 23 -13.617 -8.191 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.217 -6.724 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.828 -6.967 -0.221 1.00 0.00 H new ATOM 0 HG SER A 23 -12.605 -8.748 -0.205 1.00 0.00 H new ATOM 384 N HIS A 24 -16.608 -9.045 -1.670 1.00 0.00 N ATOM 385 CA HIS A 24 -17.514 -10.174 -1.480 1.00 0.00 C ATOM 386 C HIS A 24 -17.960 -10.759 -2.819 1.00 0.00 C ATOM 387 O HIS A 24 -18.180 -11.964 -2.936 1.00 0.00 O ATOM 388 CB HIS A 24 -18.737 -9.736 -0.667 1.00 0.00 C ATOM 389 CG HIS A 24 -19.729 -10.832 -0.423 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.499 -11.812 0.512 1.00 0.00 N ATOM 391 CD2 HIS A 24 -20.928 -11.054 -1.013 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.556 -12.604 0.472 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.450 -12.185 -0.437 1.00 0.00 N ATOM 0 H HIS A 24 -17.051 -8.130 -1.579 1.00 0.00 H new ATOM 0 HA HIS A 24 -16.976 -10.949 -0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.401 -9.343 0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.234 -8.919 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.385 -10.456 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.684 -13.478 1.093 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.345 -12.623 -0.657 1.00 0.00 H new ATOM 401 N LYS A 25 -18.101 -9.898 -3.821 1.00 0.00 N ATOM 402 CA LYS A 25 -18.532 -10.333 -5.145 1.00 0.00 C ATOM 403 C LYS A 25 -17.397 -11.012 -5.908 1.00 0.00 C ATOM 404 O LYS A 25 -17.573 -12.099 -6.458 1.00 0.00 O ATOM 405 CB LYS A 25 -19.059 -9.142 -5.949 1.00 0.00 C ATOM 406 CG LYS A 25 -19.769 -9.539 -7.232 1.00 0.00 C ATOM 407 CD LYS A 25 -19.575 -8.498 -8.322 1.00 0.00 C ATOM 408 CE LYS A 25 -20.149 -7.150 -7.913 1.00 0.00 C ATOM 409 NZ LYS A 25 -21.478 -6.892 -8.539 1.00 0.00 N ATOM 0 H LYS A 25 -17.924 -8.897 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.332 -11.061 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.746 -8.570 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.226 -8.483 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.390 -10.502 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.833 -9.667 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.512 -8.391 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -20.056 -8.836 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.247 -7.112 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.455 -6.359 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.959 -6.124 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.346 -6.617 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.057 -7.755 -8.492 1.00 0.00 H new ATOM 423 N PHE A 26 -16.239 -10.363 -5.945 1.00 0.00 N ATOM 424 CA PHE A 26 -15.084 -10.903 -6.652 1.00 0.00 C ATOM 425 C PHE A 26 -14.196 -11.727 -5.723 1.00 0.00 C ATOM 426 O PHE A 26 -14.013 -12.927 -5.930 1.00 0.00 O ATOM 427 CB PHE A 26 -14.276 -9.768 -7.281 1.00 0.00 C ATOM 428 CG PHE A 26 -15.051 -8.987 -8.303 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.162 -9.446 -9.606 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.673 -7.797 -7.962 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.879 -8.733 -10.548 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.391 -7.080 -8.900 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.494 -7.550 -10.195 1.00 0.00 C ATOM 0 H PHE A 26 -16.075 -9.463 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.450 -11.563 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.939 -9.092 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.383 -10.182 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.683 -10.372 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.596 -7.425 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.958 -9.102 -11.560 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.871 -6.154 -8.621 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.055 -6.992 -10.930 1.00 0.00 H new ATOM 443 N GLY A 27 -13.645 -11.077 -4.704 1.00 0.00 N ATOM 444 CA GLY A 27 -12.779 -11.767 -3.764 1.00 0.00 C ATOM 445 C GLY A 27 -11.419 -11.110 -3.651 1.00 0.00 C ATOM 446 O GLY A 27 -10.433 -11.611 -4.193 1.00 0.00 O ATOM 0 H GLY A 27 -13.782 -10.085 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.253 -11.787 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.655 -12.803 -4.080 1.00 0.00 H new ATOM 450 N ILE A 28 -11.368 -9.981 -2.954 1.00 0.00 N ATOM 451 CA ILE A 28 -10.122 -9.248 -2.776 1.00 0.00 C ATOM 452 C ILE A 28 -10.118 -8.488 -1.450 1.00 0.00 C ATOM 453 O ILE A 28 -11.166 -8.038 -0.988 1.00 0.00 O ATOM 454 CB ILE A 28 -9.897 -8.252 -3.930 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.157 -7.419 -4.165 1.00 0.00 C ATOM 456 CG2 ILE A 28 -9.503 -8.994 -5.198 1.00 0.00 C ATOM 457 CD1 ILE A 28 -10.959 -6.278 -5.140 1.00 0.00 C ATOM 0 H ILE A 28 -12.177 -9.553 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.314 -9.980 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.084 -7.579 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.948 -8.070 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.498 -7.016 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.347 -8.278 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.582 -9.550 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.297 -9.687 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.895 -5.732 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.191 -5.604 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.648 -6.675 -6.106 1.00 0.00 H new ATOM 469 N PRO A 29 -8.939 -8.327 -0.814 1.00 0.00 N ATOM 470 CA PRO A 29 -8.830 -7.614 0.460 1.00 0.00 C ATOM 471 C PRO A 29 -9.403 -6.204 0.376 1.00 0.00 C ATOM 472 O PRO A 29 -9.922 -5.796 -0.664 1.00 0.00 O ATOM 473 CB PRO A 29 -7.319 -7.570 0.741 1.00 0.00 C ATOM 474 CG PRO A 29 -6.662 -7.930 -0.551 1.00 0.00 C ATOM 475 CD PRO A 29 -7.629 -8.820 -1.276 1.00 0.00 C ATOM 0 HA PRO A 29 -9.396 -8.110 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.011 -6.579 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.046 -8.272 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.439 -7.038 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.716 -8.442 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.524 -8.735 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.480 -9.870 -1.023 1.00 0.00 H new ATOM 483 N ASN A 30 -9.310 -5.465 1.473 1.00 0.00 N ATOM 484 CA ASN A 30 -9.823 -4.102 1.521 1.00 0.00 C ATOM 485 C ASN A 30 -8.852 -3.122 0.870 1.00 0.00 C ATOM 486 O ASN A 30 -9.262 -2.096 0.332 1.00 0.00 O ATOM 487 CB ASN A 30 -10.089 -3.685 2.968 1.00 0.00 C ATOM 488 CG ASN A 30 -10.957 -4.683 3.709 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.462 -5.661 4.266 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.261 -4.438 3.722 1.00 0.00 N ATOM 0 H ASN A 30 -8.884 -5.786 2.342 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.759 -4.079 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.139 -3.575 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.574 -2.709 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.894 -5.073 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.630 -3.614 3.247 1.00 0.00 H new ATOM 497 N LEU A 31 -7.563 -3.443 0.927 1.00 0.00 N ATOM 498 CA LEU A 31 -6.537 -2.585 0.345 1.00 0.00 C ATOM 499 C LEU A 31 -6.679 -2.505 -1.171 1.00 0.00 C ATOM 500 O LEU A 31 -6.789 -1.417 -1.737 1.00 0.00 O ATOM 501 CB LEU A 31 -5.145 -3.099 0.715 1.00 0.00 C ATOM 502 CG LEU A 31 -3.981 -2.273 0.162 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.824 -0.981 0.950 1.00 0.00 C ATOM 504 CD2 LEU A 31 -2.693 -3.082 0.196 1.00 0.00 C ATOM 0 H LEU A 31 -7.205 -4.289 1.369 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.668 -1.582 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.063 -3.132 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.046 -4.124 0.357 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.199 -2.017 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.992 -0.406 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.740 -0.396 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.627 -1.215 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.875 -2.481 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.469 -3.366 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.811 -3.979 -0.411 1.00 0.00 H new ATOM 516 N VAL A 32 -6.670 -3.660 -1.826 1.00 0.00 N ATOM 517 CA VAL A 32 -6.794 -3.713 -3.280 1.00 0.00 C ATOM 518 C VAL A 32 -8.152 -3.189 -3.736 1.00 0.00 C ATOM 519 O VAL A 32 -8.246 -2.472 -4.732 1.00 0.00 O ATOM 520 CB VAL A 32 -6.599 -5.148 -3.811 1.00 0.00 C ATOM 521 CG1 VAL A 32 -6.569 -5.157 -5.333 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.329 -5.767 -3.244 1.00 0.00 C ATOM 0 H VAL A 32 -6.578 -4.571 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.009 -3.076 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.446 -5.751 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.431 -6.178 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.510 -4.763 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.745 -4.536 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.213 -6.779 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.469 -5.165 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.395 -5.801 -2.157 1.00 0.00 H new ATOM 532 N ALA A 33 -9.203 -3.550 -3.006 1.00 0.00 N ATOM 533 CA ALA A 33 -10.550 -3.114 -3.344 1.00 0.00 C ATOM 534 C ALA A 33 -10.715 -1.614 -3.122 1.00 0.00 C ATOM 535 O ALA A 33 -11.475 -0.952 -3.826 1.00 0.00 O ATOM 536 CB ALA A 33 -11.579 -3.886 -2.531 1.00 0.00 C ATOM 0 H ALA A 33 -9.146 -4.143 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.714 -3.319 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.581 -3.547 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.487 -4.951 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.407 -3.713 -1.469 1.00 0.00 H new ATOM 542 N ARG A 34 -9.995 -1.083 -2.139 1.00 0.00 N ATOM 543 CA ARG A 34 -10.064 0.339 -1.829 1.00 0.00 C ATOM 544 C ARG A 34 -9.397 1.166 -2.925 1.00 0.00 C ATOM 545 O ARG A 34 -9.787 2.306 -3.180 1.00 0.00 O ATOM 546 CB ARG A 34 -9.398 0.625 -0.481 1.00 0.00 C ATOM 547 CG ARG A 34 -10.347 0.497 0.699 1.00 0.00 C ATOM 548 CD ARG A 34 -9.618 0.657 2.024 1.00 0.00 C ATOM 549 NE ARG A 34 -10.533 0.999 3.112 1.00 0.00 N ATOM 550 CZ ARG A 34 -10.168 1.105 4.391 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.909 0.889 4.756 1.00 0.00 N ATOM 552 NH2 ARG A 34 -11.070 1.426 5.309 1.00 0.00 N ATOM 0 H ARG A 34 -9.359 -1.615 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.115 0.622 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.563 -0.062 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.982 1.632 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.130 1.251 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.838 -0.476 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.097 -0.269 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.860 1.434 1.930 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.512 1.167 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.211 0.639 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.641 0.973 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.039 1.591 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.795 1.508 6.288 1.00 0.00 H new ATOM 566 N GLN A 35 -8.394 0.584 -3.573 1.00 0.00 N ATOM 567 CA GLN A 35 -7.676 1.268 -4.643 1.00 0.00 C ATOM 568 C GLN A 35 -8.617 1.621 -5.789 1.00 0.00 C ATOM 569 O GLN A 35 -8.461 2.659 -6.434 1.00 0.00 O ATOM 570 CB GLN A 35 -6.531 0.397 -5.159 1.00 0.00 C ATOM 571 CG GLN A 35 -5.254 0.528 -4.347 1.00 0.00 C ATOM 572 CD GLN A 35 -4.338 1.614 -4.876 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.246 2.698 -4.301 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.653 1.326 -5.977 1.00 0.00 N ATOM 0 H GLN A 35 -8.060 -0.359 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.264 2.191 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.849 -0.646 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.322 0.663 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.508 0.745 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.724 -0.425 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.761 0.414 -6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.019 2.017 -6.379 1.00 0.00 H new ATOM 583 N ILE A 36 -9.594 0.756 -6.039 1.00 0.00 N ATOM 584 CA ILE A 36 -10.557 0.986 -7.107 1.00 0.00 C ATOM 585 C ILE A 36 -11.476 2.153 -6.764 1.00 0.00 C ATOM 586 O ILE A 36 -11.626 3.090 -7.548 1.00 0.00 O ATOM 587 CB ILE A 36 -11.411 -0.270 -7.380 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.514 -1.492 -7.590 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.305 -0.053 -8.594 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.277 -2.797 -7.654 1.00 0.00 C ATOM 0 H ILE A 36 -9.739 -0.108 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.988 1.223 -8.006 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.045 -0.451 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.950 -1.364 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.788 -1.544 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.900 -0.949 -8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.968 0.793 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.688 0.152 -9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.578 -3.620 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.820 -2.947 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.984 -2.765 -8.483 1.00 0.00 H new ATOM 602 N VAL A 37 -12.078 2.091 -5.582 1.00 0.00 N ATOM 603 CA VAL A 37 -12.975 3.146 -5.126 1.00 0.00 C ATOM 604 C VAL A 37 -12.221 4.460 -4.956 1.00 0.00 C ATOM 605 O VAL A 37 -12.738 5.530 -5.276 1.00 0.00 O ATOM 606 CB VAL A 37 -13.648 2.766 -3.792 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.665 3.822 -3.378 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.306 1.399 -3.897 1.00 0.00 C ATOM 0 H VAL A 37 -11.961 1.322 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.746 3.270 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.877 2.719 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.127 3.532 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.164 4.782 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.433 3.908 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.776 1.147 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.062 1.419 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.552 0.650 -4.139 1.00 0.00 H new ATOM 618 N ASN A 38 -10.994 4.370 -4.454 1.00 0.00 N ATOM 619 CA ASN A 38 -10.165 5.552 -4.244 1.00 0.00 C ATOM 620 C ASN A 38 -9.896 6.262 -5.566 1.00 0.00 C ATOM 621 O ASN A 38 -9.863 7.491 -5.626 1.00 0.00 O ATOM 622 CB ASN A 38 -8.845 5.163 -3.580 1.00 0.00 C ATOM 623 CG ASN A 38 -8.948 5.127 -2.069 1.00 0.00 C ATOM 624 OD1 ASN A 38 -8.167 5.773 -1.367 1.00 0.00 O ATOM 625 ND2 ASN A 38 -9.911 4.370 -1.558 1.00 0.00 N ATOM 0 H ASN A 38 -10.551 3.491 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.703 6.235 -3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.533 4.184 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.071 5.873 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.027 4.306 -0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.535 3.852 -2.177 1.00 0.00 H new ATOM 632 N SER A 39 -9.705 5.480 -6.623 1.00 0.00 N ATOM 633 CA SER A 39 -9.438 6.034 -7.944 1.00 0.00 C ATOM 634 C SER A 39 -10.629 6.843 -8.444 1.00 0.00 C ATOM 635 O SER A 39 -10.468 7.812 -9.187 1.00 0.00 O ATOM 636 CB SER A 39 -9.114 4.915 -8.934 1.00 0.00 C ATOM 637 OG SER A 39 -8.255 5.376 -9.961 1.00 0.00 O ATOM 0 H SER A 39 -9.730 4.461 -6.590 1.00 0.00 H new ATOM 0 HA SER A 39 -8.578 6.699 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.644 4.084 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.037 4.534 -9.371 1.00 0.00 H new ATOM 0 HG SER A 39 -8.062 4.641 -10.580 1.00 0.00 H new ATOM 643 N CYS A 40 -11.828 6.439 -8.033 1.00 0.00 N ATOM 644 CA CYS A 40 -13.045 7.129 -8.442 1.00 0.00 C ATOM 645 C CYS A 40 -13.117 8.524 -7.828 1.00 0.00 C ATOM 646 O CYS A 40 -13.126 8.675 -6.606 1.00 0.00 O ATOM 647 CB CYS A 40 -14.278 6.318 -8.033 1.00 0.00 C ATOM 648 SG CYS A 40 -15.833 6.985 -8.672 1.00 0.00 S ATOM 0 H CYS A 40 -11.981 5.639 -7.419 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.025 7.230 -9.527 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.161 5.293 -8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.330 6.277 -6.945 1.00 0.00 H new ATOM 0 HG CYS A 40 -16.765 6.848 -7.776 1.00 0.00 H new ATOM 653 N ALA A 41 -13.171 9.537 -8.684 1.00 0.00 N ATOM 654 CA ALA A 41 -13.248 10.919 -8.226 1.00 0.00 C ATOM 655 C ALA A 41 -14.651 11.252 -7.734 1.00 0.00 C ATOM 656 O ALA A 41 -14.822 11.963 -6.744 1.00 0.00 O ATOM 657 CB ALA A 41 -12.835 11.869 -9.340 1.00 0.00 C ATOM 0 H ALA A 41 -13.163 9.428 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.559 11.040 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.898 12.897 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.811 11.652 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.501 11.740 -10.194 1.00 0.00 H new ATOM 663 N GLN A 42 -15.655 10.727 -8.431 1.00 0.00 N ATOM 664 CA GLN A 42 -17.048 10.961 -8.064 1.00 0.00 C ATOM 665 C GLN A 42 -17.348 10.412 -6.671 1.00 0.00 C ATOM 666 O GLN A 42 -18.199 10.939 -5.957 1.00 0.00 O ATOM 667 CB GLN A 42 -17.980 10.316 -9.091 1.00 0.00 C ATOM 668 CG GLN A 42 -17.670 10.706 -10.526 1.00 0.00 C ATOM 669 CD GLN A 42 -18.915 10.805 -11.386 1.00 0.00 C ATOM 670 OE1 GLN A 42 -19.712 9.869 -11.454 1.00 0.00 O ATOM 671 NE2 GLN A 42 -19.087 11.943 -12.047 1.00 0.00 N ATOM 0 H GLN A 42 -15.530 10.137 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.218 12.038 -8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -17.916 9.232 -8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -19.008 10.596 -8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -17.150 11.664 -10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -16.991 9.972 -10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -18.400 12.692 -11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -19.906 12.069 -12.642 1.00 0.00 H new ATOM 680 N CYS A 43 -16.639 9.353 -6.293 1.00 0.00 N ATOM 681 CA CYS A 43 -16.824 8.733 -4.987 1.00 0.00 C ATOM 682 C CYS A 43 -15.877 9.335 -3.957 1.00 0.00 C ATOM 683 O CYS A 43 -16.199 9.407 -2.770 1.00 0.00 O ATOM 684 CB CYS A 43 -16.609 7.219 -5.076 1.00 0.00 C ATOM 685 SG CYS A 43 -18.044 6.308 -5.694 1.00 0.00 S ATOM 0 H CYS A 43 -15.930 8.906 -6.874 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.848 8.926 -4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.758 7.021 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.349 6.840 -4.087 1.00 0.00 H new ATOM 0 HG CYS A 43 -17.651 5.400 -6.537 1.00 0.00 H new ATOM 690 N GLN A 44 -14.706 9.769 -4.414 1.00 0.00 N ATOM 691 CA GLN A 44 -13.716 10.368 -3.529 1.00 0.00 C ATOM 692 C GLN A 44 -14.258 11.646 -2.898 1.00 0.00 C ATOM 693 O GLN A 44 -14.253 11.800 -1.677 1.00 0.00 O ATOM 694 CB GLN A 44 -12.429 10.669 -4.299 1.00 0.00 C ATOM 695 CG GLN A 44 -11.393 9.559 -4.209 1.00 0.00 C ATOM 696 CD GLN A 44 -10.001 10.032 -4.582 1.00 0.00 C ATOM 697 OE1 GLN A 44 -9.727 10.096 -5.878 1.00 0.00 O flip ATOM 698 NE2 GLN A 44 -9.184 10.339 -3.712 1.00 0.00 N flip ATOM 0 H GLN A 44 -14.421 9.716 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.495 9.656 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.674 10.842 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.994 11.593 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.378 9.162 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.684 8.741 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.440 10.274 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.252 10.658 -3.977 1.00 0.00 H new ATOM 845 N GLU B 6 3.353 -6.638 4.187 1.00 0.00 N ATOM 846 CA GLU B 6 3.791 -5.786 5.289 1.00 0.00 C ATOM 847 C GLU B 6 5.320 -5.760 5.379 1.00 0.00 C ATOM 848 O GLU B 6 5.928 -4.692 5.326 1.00 0.00 O ATOM 849 CB GLU B 6 3.185 -6.254 6.614 1.00 0.00 C ATOM 850 CG GLU B 6 1.890 -5.541 6.971 1.00 0.00 C ATOM 851 CD GLU B 6 2.099 -4.406 7.955 1.00 0.00 C ATOM 852 OE1 GLU B 6 2.740 -4.638 9.002 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.620 -3.285 7.681 1.00 0.00 O ATOM 0 HA GLU B 6 3.440 -4.773 5.092 1.00 0.00 H new ATOM 0 HB2 GLU B 6 2.998 -7.326 6.561 1.00 0.00 H new ATOM 0 HB3 GLU B 6 3.910 -6.096 7.412 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.433 -5.149 6.062 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.189 -6.260 7.395 1.00 0.00 H new ATOM 860 N PRO B 7 5.973 -6.937 5.506 1.00 0.00 N ATOM 861 CA PRO B 7 7.438 -7.021 5.587 1.00 0.00 C ATOM 862 C PRO B 7 8.133 -6.170 4.528 1.00 0.00 C ATOM 863 O PRO B 7 9.200 -5.605 4.770 1.00 0.00 O ATOM 864 CB PRO B 7 7.718 -8.502 5.338 1.00 0.00 C ATOM 865 CG PRO B 7 6.500 -9.205 5.826 1.00 0.00 C ATOM 866 CD PRO B 7 5.344 -8.275 5.573 1.00 0.00 C ATOM 0 HA PRO B 7 7.813 -6.650 6.541 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.892 -8.700 4.280 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.607 -8.832 5.875 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.360 -10.150 5.301 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.585 -9.439 6.887 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.829 -8.521 4.645 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.605 -8.330 6.372 1.00 0.00 H new ATOM 874 N ALA B 8 7.520 -6.086 3.351 1.00 0.00 N ATOM 875 CA ALA B 8 8.076 -5.310 2.251 1.00 0.00 C ATOM 876 C ALA B 8 8.038 -3.816 2.558 1.00 0.00 C ATOM 877 O ALA B 8 8.900 -3.059 2.112 1.00 0.00 O ATOM 878 CB ALA B 8 7.321 -5.606 0.964 1.00 0.00 C ATOM 0 H ALA B 8 6.636 -6.547 3.136 1.00 0.00 H new ATOM 0 HA ALA B 8 9.119 -5.601 2.123 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.746 -5.020 0.150 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.404 -6.667 0.729 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.271 -5.344 1.090 1.00 0.00 H new ATOM 884 N GLN B 9 7.034 -3.399 3.322 1.00 0.00 N ATOM 885 CA GLN B 9 6.887 -1.994 3.690 1.00 0.00 C ATOM 886 C GLN B 9 7.992 -1.567 4.649 1.00 0.00 C ATOM 887 O GLN B 9 8.595 -0.505 4.485 1.00 0.00 O ATOM 888 CB GLN B 9 5.516 -1.749 4.325 1.00 0.00 C ATOM 889 CG GLN B 9 4.395 -1.604 3.310 1.00 0.00 C ATOM 890 CD GLN B 9 3.019 -1.680 3.944 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.539 -0.710 4.530 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.379 -2.837 3.833 1.00 0.00 N ATOM 0 H GLN B 9 6.311 -4.012 3.698 1.00 0.00 H new ATOM 0 HA GLN B 9 6.967 -1.396 2.782 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.283 -2.575 4.997 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.563 -0.846 4.934 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.500 -0.651 2.792 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.488 -2.387 2.558 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.815 -3.615 3.338 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.451 -2.948 4.242 1.00 0.00 H new ATOM 901 N GLU B 10 8.259 -2.402 5.648 1.00 0.00 N ATOM 902 CA GLU B 10 9.297 -2.111 6.630 1.00 0.00 C ATOM 903 C GLU B 10 10.679 -2.153 5.984 1.00 0.00 C ATOM 904 O GLU B 10 11.593 -1.440 6.396 1.00 0.00 O ATOM 905 CB GLU B 10 9.231 -3.112 7.786 1.00 0.00 C ATOM 906 CG GLU B 10 7.874 -3.164 8.468 1.00 0.00 C ATOM 907 CD GLU B 10 7.724 -4.369 9.377 1.00 0.00 C ATOM 908 OE1 GLU B 10 8.705 -4.715 10.069 1.00 0.00 O ATOM 909 OE2 GLU B 10 6.626 -4.965 9.396 1.00 0.00 O ATOM 0 H GLU B 10 7.771 -3.285 5.799 1.00 0.00 H new ATOM 0 HA GLU B 10 9.125 -1.107 7.019 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.478 -4.105 7.410 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.990 -2.853 8.524 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.729 -2.254 9.050 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.091 -3.186 7.710 1.00 0.00 H new ATOM 916 N GLU B 11 10.824 -2.996 4.964 1.00 0.00 N ATOM 917 CA GLU B 11 12.090 -3.133 4.255 1.00 0.00 C ATOM 918 C GLU B 11 12.445 -1.850 3.515 1.00 0.00 C ATOM 919 O GLU B 11 13.593 -1.407 3.545 1.00 0.00 O ATOM 920 CB GLU B 11 12.023 -4.302 3.271 1.00 0.00 C ATOM 921 CG GLU B 11 13.315 -4.527 2.501 1.00 0.00 C ATOM 922 CD GLU B 11 14.409 -5.132 3.360 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.932 -4.421 4.243 1.00 0.00 O ATOM 924 OE2 GLU B 11 14.743 -6.315 3.148 1.00 0.00 O ATOM 0 H GLU B 11 10.078 -3.595 4.611 1.00 0.00 H new ATOM 0 HA GLU B 11 12.869 -3.330 4.992 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.773 -5.211 3.817 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.214 -4.123 2.562 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.119 -5.184 1.654 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.661 -3.577 2.094 1.00 0.00 H new ATOM 931 N HIS B 12 11.461 -1.252 2.848 1.00 0.00 N ATOM 932 CA HIS B 12 11.703 -0.020 2.108 1.00 0.00 C ATOM 933 C HIS B 12 12.176 1.091 3.045 1.00 0.00 C ATOM 934 O HIS B 12 13.057 1.874 2.700 1.00 0.00 O ATOM 935 CB HIS B 12 10.450 0.441 1.346 1.00 0.00 C ATOM 936 CG HIS B 12 10.712 1.670 0.536 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.734 1.712 -0.841 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.101 2.893 0.957 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.149 2.937 -1.205 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.384 3.685 -0.146 1.00 0.00 N ATOM 0 H HIS B 12 10.502 -1.596 2.805 1.00 0.00 H new ATOM 0 HA HIS B 12 12.486 -0.231 1.379 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.108 -0.360 0.690 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.646 0.638 2.055 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.481 0.950 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.179 3.205 1.988 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.273 3.264 -2.227 1.00 0.00 H new ATOM 948 N GLU B 13 11.573 1.166 4.220 1.00 0.00 N ATOM 949 CA GLU B 13 11.923 2.193 5.195 1.00 0.00 C ATOM 950 C GLU B 13 13.371 2.066 5.679 1.00 0.00 C ATOM 951 O GLU B 13 13.883 2.975 6.333 1.00 0.00 O ATOM 952 CB GLU B 13 10.970 2.127 6.391 1.00 0.00 C ATOM 953 CG GLU B 13 9.606 2.733 6.119 1.00 0.00 C ATOM 954 CD GLU B 13 8.578 2.349 7.165 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.840 2.571 8.365 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.509 1.824 6.783 1.00 0.00 O ATOM 0 H GLU B 13 10.837 0.528 4.525 1.00 0.00 H new ATOM 0 HA GLU B 13 11.827 3.158 4.697 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.843 1.085 6.686 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.425 2.644 7.236 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.695 3.819 6.084 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.258 2.410 5.138 1.00 0.00 H new ATOM 963 N LYS B 14 14.023 0.939 5.389 1.00 0.00 N ATOM 964 CA LYS B 14 15.395 0.727 5.838 1.00 0.00 C ATOM 965 C LYS B 14 16.421 0.842 4.705 1.00 0.00 C ATOM 966 O LYS B 14 17.592 1.123 4.961 1.00 0.00 O ATOM 967 CB LYS B 14 15.514 -0.643 6.508 1.00 0.00 C ATOM 968 CG LYS B 14 16.391 -0.639 7.748 1.00 0.00 C ATOM 969 CD LYS B 14 16.708 -2.055 8.205 1.00 0.00 C ATOM 970 CE LYS B 14 15.640 -2.597 9.144 1.00 0.00 C ATOM 971 NZ LYS B 14 16.145 -2.732 10.538 1.00 0.00 N ATOM 0 H LYS B 14 13.627 0.168 4.851 1.00 0.00 H new ATOM 0 HA LYS B 14 15.622 1.519 6.552 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.518 -0.994 6.779 1.00 0.00 H new ATOM 0 HB3 LYS B 14 15.918 -1.356 5.789 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.318 -0.106 7.538 1.00 0.00 H new ATOM 0 HG3 LYS B 14 15.888 -0.100 8.550 1.00 0.00 H new ATOM 0 HD2 LYS B 14 16.793 -2.707 7.336 1.00 0.00 H new ATOM 0 HD3 LYS B 14 17.675 -2.067 8.708 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.776 -1.933 9.133 1.00 0.00 H new ATOM 0 HE3 LYS B 14 15.300 -3.568 8.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.388 -3.104 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 16.954 -3.386 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.446 -1.801 10.890 1.00 0.00 H new ATOM 985 N TYR B 15 16.005 0.605 3.462 1.00 0.00 N ATOM 986 CA TYR B 15 16.940 0.675 2.335 1.00 0.00 C ATOM 987 C TYR B 15 16.336 1.335 1.088 1.00 0.00 C ATOM 988 O TYR B 15 16.950 1.315 0.021 1.00 0.00 O ATOM 989 CB TYR B 15 17.423 -0.731 1.976 1.00 0.00 C ATOM 990 CG TYR B 15 17.996 -1.500 3.145 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.338 -1.383 3.487 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.198 -2.348 3.906 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.869 -2.088 4.550 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.722 -3.055 4.972 1.00 0.00 C ATOM 995 CZ TYR B 15 19.057 -2.921 5.290 1.00 0.00 C ATOM 996 OH TYR B 15 19.583 -3.622 6.350 1.00 0.00 O ATOM 0 H TYR B 15 15.046 0.367 3.210 1.00 0.00 H new ATOM 0 HA TYR B 15 17.772 1.300 2.659 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.590 -1.295 1.557 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.181 -0.656 1.197 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.977 -0.729 2.912 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.152 -2.456 3.660 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.915 -1.987 4.800 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.089 -3.709 5.553 1.00 0.00 H new ATOM 0 HH TYR B 15 18.879 -4.162 6.767 1.00 0.00 H new ATOM 1006 N HIS B 16 15.138 1.910 1.212 1.00 0.00 N ATOM 1007 CA HIS B 16 14.456 2.562 0.084 1.00 0.00 C ATOM 1008 C HIS B 16 14.533 1.718 -1.193 1.00 0.00 C ATOM 1009 O HIS B 16 14.699 2.248 -2.293 1.00 0.00 O ATOM 1010 CB HIS B 16 15.032 3.956 -0.182 1.00 0.00 C ATOM 1011 CG HIS B 16 14.822 4.931 0.939 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.654 5.654 1.070 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.665 5.279 1.943 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.810 6.413 2.136 1.00 0.00 C ATOM 1015 NE2 HIS B 16 15.014 6.220 2.700 1.00 0.00 N ATOM 0 H HIS B 16 14.615 1.939 2.087 1.00 0.00 H new ATOM 0 HA HIS B 16 13.408 2.661 0.366 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.101 3.865 -0.374 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.578 4.358 -1.088 1.00 0.00 H new ATOM 0 HD1 HIS B 16 12.835 5.610 0.464 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.658 4.890 2.114 1.00 0.00 H new ATOM 0 HE1 HIS B 16 13.066 7.101 2.508 1.00 0.00 H new ATOM 1023 N SER B 17 14.409 0.405 -1.036 1.00 0.00 N ATOM 1024 CA SER B 17 14.465 -0.513 -2.170 1.00 0.00 C ATOM 1025 C SER B 17 13.390 -0.181 -3.199 1.00 0.00 C ATOM 1026 O SER B 17 12.399 0.479 -2.887 1.00 0.00 O ATOM 1027 CB SER B 17 14.301 -1.957 -1.694 1.00 0.00 C ATOM 1028 OG SER B 17 15.071 -2.200 -0.529 1.00 0.00 O ATOM 0 H SER B 17 14.269 -0.049 -0.134 1.00 0.00 H new ATOM 0 HA SER B 17 15.440 -0.401 -2.644 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.250 -2.158 -1.488 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.607 -2.641 -2.485 1.00 0.00 H new ATOM 0 HG SER B 17 14.948 -3.129 -0.244 1.00 0.00 H new ATOM 1034 N ASN B 18 13.596 -0.642 -4.428 1.00 0.00 N ATOM 1035 CA ASN B 18 12.649 -0.396 -5.507 1.00 0.00 C ATOM 1036 C ASN B 18 11.587 -1.491 -5.563 1.00 0.00 C ATOM 1037 O ASN B 18 11.569 -2.395 -4.727 1.00 0.00 O ATOM 1038 CB ASN B 18 13.386 -0.311 -6.845 1.00 0.00 C ATOM 1039 CG ASN B 18 14.227 0.945 -6.963 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.021 1.914 -6.231 1.00 0.00 O ATOM 1041 ND2 ASN B 18 15.183 0.935 -7.886 1.00 0.00 N ATOM 0 H ASN B 18 14.412 -1.189 -4.701 1.00 0.00 H new ATOM 0 HA ASN B 18 12.150 0.554 -5.312 1.00 0.00 H new ATOM 0 HB2 ASN B 18 14.026 -1.186 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.661 -0.337 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN B 18 15.781 1.752 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN B 18 15.319 0.110 -8.471 1.00 0.00 H new ATOM 1048 N VAL B 19 10.706 -1.408 -6.556 1.00 0.00 N ATOM 1049 CA VAL B 19 9.644 -2.393 -6.724 1.00 0.00 C ATOM 1050 C VAL B 19 10.216 -3.747 -7.122 1.00 0.00 C ATOM 1051 O VAL B 19 9.874 -4.775 -6.539 1.00 0.00 O ATOM 1052 CB VAL B 19 8.625 -1.944 -7.791 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.453 -2.915 -7.869 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.135 -0.533 -7.501 1.00 0.00 C ATOM 0 H VAL B 19 10.707 -0.667 -7.257 1.00 0.00 H new ATOM 0 HA VAL B 19 9.136 -2.482 -5.764 1.00 0.00 H new ATOM 0 HB VAL B 19 9.126 -1.943 -8.759 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.749 -2.575 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.820 -3.907 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.951 -2.958 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.417 -0.233 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.656 -0.508 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.981 0.155 -7.509 1.00 0.00 H new ATOM 1064 N LYS B 20 11.090 -3.741 -8.124 1.00 0.00 N ATOM 1065 CA LYS B 20 11.717 -4.967 -8.614 1.00 0.00 C ATOM 1066 C LYS B 20 12.392 -5.737 -7.483 1.00 0.00 C ATOM 1067 O LYS B 20 12.274 -6.960 -7.394 1.00 0.00 O ATOM 1068 CB LYS B 20 12.744 -4.639 -9.701 1.00 0.00 C ATOM 1069 CG LYS B 20 13.004 -5.789 -10.661 1.00 0.00 C ATOM 1070 CD LYS B 20 14.190 -6.630 -10.214 1.00 0.00 C ATOM 1071 CE LYS B 20 14.248 -7.959 -10.952 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.632 -8.285 -11.396 1.00 0.00 N ATOM 0 H LYS B 20 11.382 -2.896 -8.616 1.00 0.00 H new ATOM 0 HA LYS B 20 10.932 -5.596 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.397 -3.775 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.683 -4.353 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.116 -6.417 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.191 -5.395 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS B 20 15.114 -6.077 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS B 20 14.123 -6.812 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS B 20 13.878 -8.752 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS B 20 13.587 -7.923 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 15.631 -9.198 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.976 -7.541 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.258 -8.344 -10.567 1.00 0.00 H new ATOM 1086 N GLU B 21 13.096 -5.016 -6.619 1.00 0.00 N ATOM 1087 CA GLU B 21 13.787 -5.634 -5.492 1.00 0.00 C ATOM 1088 C GLU B 21 12.790 -6.220 -4.497 1.00 0.00 C ATOM 1089 O GLU B 21 12.939 -7.357 -4.052 1.00 0.00 O ATOM 1090 CB GLU B 21 14.681 -4.611 -4.789 1.00 0.00 C ATOM 1091 CG GLU B 21 15.476 -5.195 -3.633 1.00 0.00 C ATOM 1092 CD GLU B 21 16.857 -4.584 -3.511 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.982 -3.518 -2.874 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.816 -5.175 -4.051 1.00 0.00 O ATOM 0 H GLU B 21 13.204 -4.003 -6.676 1.00 0.00 H new ATOM 0 HA GLU B 21 14.407 -6.443 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.372 -4.184 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.063 -3.794 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.929 -5.037 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.570 -6.272 -3.768 1.00 0.00 H new ATOM 1101 N LEU B 22 11.777 -5.436 -4.152 1.00 0.00 N ATOM 1102 CA LEU B 22 10.756 -5.877 -3.209 1.00 0.00 C ATOM 1103 C LEU B 22 9.942 -7.029 -3.785 1.00 0.00 C ATOM 1104 O LEU B 22 9.563 -7.954 -3.066 1.00 0.00 O ATOM 1105 CB LEU B 22 9.831 -4.714 -2.845 1.00 0.00 C ATOM 1106 CG LEU B 22 10.475 -3.623 -1.988 1.00 0.00 C ATOM 1107 CD1 LEU B 22 9.561 -2.411 -1.890 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.802 -4.160 -0.602 1.00 0.00 C ATOM 0 H LEU B 22 11.640 -4.491 -4.511 1.00 0.00 H new ATOM 0 HA LEU B 22 11.258 -6.228 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.461 -4.262 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.966 -5.110 -2.313 1.00 0.00 H new ATOM 0 HG LEU B 22 11.404 -3.313 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.036 -1.646 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.376 -2.013 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU B 22 8.615 -2.705 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.260 -3.371 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.886 -4.497 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.495 -4.997 -0.690 1.00 0.00 H new ATOM 1120 N SER B 23 9.673 -6.965 -5.083 1.00 0.00 N ATOM 1121 CA SER B 23 8.901 -8.005 -5.755 1.00 0.00 C ATOM 1122 C SER B 23 9.724 -9.283 -5.915 1.00 0.00 C ATOM 1123 O SER B 23 9.197 -10.388 -5.803 1.00 0.00 O ATOM 1124 CB SER B 23 8.430 -7.518 -7.127 1.00 0.00 C ATOM 1125 OG SER B 23 7.941 -8.591 -7.910 1.00 0.00 O ATOM 0 H SER B 23 9.977 -6.205 -5.692 1.00 0.00 H new ATOM 0 HA SER B 23 8.032 -8.228 -5.136 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.647 -6.770 -7.001 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.256 -7.032 -7.647 1.00 0.00 H new ATOM 0 HG SER B 23 6.979 -8.696 -7.757 1.00 0.00 H new ATOM 1131 N HIS B 24 11.015 -9.122 -6.185 1.00 0.00 N ATOM 1132 CA HIS B 24 11.910 -10.260 -6.368 1.00 0.00 C ATOM 1133 C HIS B 24 12.349 -10.843 -5.024 1.00 0.00 C ATOM 1134 O HIS B 24 12.556 -12.049 -4.900 1.00 0.00 O ATOM 1135 CB HIS B 24 13.138 -9.838 -7.182 1.00 0.00 C ATOM 1136 CG HIS B 24 14.118 -10.948 -7.419 1.00 0.00 C ATOM 1137 ND1 HIS B 24 13.880 -11.929 -8.351 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.314 -11.181 -6.827 1.00 0.00 C ATOM 1139 CE1 HIS B 24 14.927 -12.732 -8.306 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.824 -12.320 -7.396 1.00 0.00 N ATOM 0 H HIS B 24 11.466 -8.212 -6.282 1.00 0.00 H new ATOM 0 HA HIS B 24 11.365 -11.033 -6.910 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.807 -9.446 -8.144 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.644 -9.024 -6.663 1.00 0.00 H new ATOM 0 HD2 HIS B 24 15.777 -10.584 -6.055 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.047 -13.610 -8.924 1.00 0.00 H new ATOM 0 HE2 HIS B 24 16.713 -12.767 -7.171 1.00 0.00 H new ATOM 1148 N LYS B 25 12.498 -9.978 -4.028 1.00 0.00 N ATOM 1149 CA LYS B 25 12.924 -10.411 -2.701 1.00 0.00 C ATOM 1150 C LYS B 25 11.783 -11.074 -1.935 1.00 0.00 C ATOM 1151 O LYS B 25 11.946 -12.160 -1.376 1.00 0.00 O ATOM 1152 CB LYS B 25 13.463 -9.222 -1.904 1.00 0.00 C ATOM 1153 CG LYS B 25 14.168 -9.621 -0.617 1.00 0.00 C ATOM 1154 CD LYS B 25 13.985 -8.571 0.467 1.00 0.00 C ATOM 1155 CE LYS B 25 14.572 -7.229 0.052 1.00 0.00 C ATOM 1156 NZ LYS B 25 15.904 -6.985 0.677 1.00 0.00 N ATOM 0 H LYS B 25 12.331 -8.975 -4.113 1.00 0.00 H new ATOM 0 HA LYS B 25 13.716 -11.148 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.157 -8.661 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.637 -8.552 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.778 -10.577 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.231 -9.763 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.923 -8.453 0.684 1.00 0.00 H new ATOM 0 HD3 LYS B 25 14.463 -8.909 1.386 1.00 0.00 H new ATOM 0 HE2 LYS B 25 14.669 -7.196 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.887 -6.430 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 16.394 -6.224 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 15.775 -6.706 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 16.473 -7.854 0.632 1.00 0.00 H new ATOM 1170 N PHE B 26 10.631 -10.412 -1.902 1.00 0.00 N ATOM 1171 CA PHE B 26 9.469 -10.935 -1.192 1.00 0.00 C ATOM 1172 C PHE B 26 8.574 -11.755 -2.117 1.00 0.00 C ATOM 1173 O PHE B 26 8.376 -12.952 -1.906 1.00 0.00 O ATOM 1174 CB PHE B 26 8.672 -9.788 -0.568 1.00 0.00 C ATOM 1175 CG PHE B 26 9.455 -9.012 0.450 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.561 -9.465 1.754 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.090 -7.830 0.101 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.286 -8.755 2.692 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.815 -7.117 1.036 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.914 -7.580 2.332 1.00 0.00 C ATOM 0 H PHE B 26 10.477 -9.513 -2.358 1.00 0.00 H new ATOM 0 HA PHE B 26 9.828 -11.594 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.342 -9.112 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.775 -10.191 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.071 -10.384 2.041 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.017 -7.463 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE B 26 10.361 -9.119 3.706 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.304 -6.197 0.753 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.482 -7.024 3.063 1.00 0.00 H new ATOM 1190 N GLY B 27 8.029 -11.105 -3.141 1.00 0.00 N ATOM 1191 CA GLY B 27 7.158 -11.790 -4.077 1.00 0.00 C ATOM 1192 C GLY B 27 5.804 -11.120 -4.195 1.00 0.00 C ATOM 1193 O GLY B 27 4.813 -11.607 -3.649 1.00 0.00 O ATOM 0 H GLY B 27 8.176 -10.115 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.633 -11.820 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.024 -12.823 -3.756 1.00 0.00 H new ATOM 1197 N ILE B 28 5.765 -9.995 -4.899 1.00 0.00 N ATOM 1198 CA ILE B 28 4.527 -9.249 -5.079 1.00 0.00 C ATOM 1199 C ILE B 28 4.531 -8.497 -6.409 1.00 0.00 C ATOM 1200 O ILE B 28 5.585 -8.059 -6.874 1.00 0.00 O ATOM 1201 CB ILE B 28 4.311 -8.245 -3.932 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.580 -7.422 -3.701 1.00 0.00 C ATOM 1203 CG2 ILE B 28 3.908 -8.978 -2.660 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.395 -6.277 -2.730 1.00 0.00 C ATOM 0 H ILE B 28 6.578 -9.580 -5.355 1.00 0.00 H new ATOM 0 HA ILE B 28 3.712 -9.973 -5.077 1.00 0.00 H new ATOM 0 HB ILE B 28 3.506 -7.564 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.366 -8.079 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE B 28 5.923 -7.025 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.758 -8.257 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.982 -9.526 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE B 28 4.695 -9.677 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.337 -5.740 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.633 -5.597 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.082 -6.668 -1.762 1.00 0.00 H new ATOM 1216 N PRO B 29 3.353 -8.326 -7.047 1.00 0.00 N ATOM 1217 CA PRO B 29 3.255 -7.618 -8.325 1.00 0.00 C ATOM 1218 C PRO B 29 3.842 -6.213 -8.247 1.00 0.00 C ATOM 1219 O PRO B 29 4.367 -5.806 -7.210 1.00 0.00 O ATOM 1220 CB PRO B 29 1.745 -7.560 -8.606 1.00 0.00 C ATOM 1221 CG PRO B 29 1.082 -7.907 -7.316 1.00 0.00 C ATOM 1222 CD PRO B 29 2.040 -8.802 -6.583 1.00 0.00 C ATOM 0 HA PRO B 29 3.817 -8.122 -9.111 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.447 -6.568 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.465 -8.262 -9.391 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.865 -7.010 -6.736 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.132 -8.412 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO B 29 1.935 -8.708 -5.502 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.881 -9.852 -6.829 1.00 0.00 H new ATOM 1230 N ASN B 30 3.755 -5.479 -9.349 1.00 0.00 N ATOM 1231 CA ASN B 30 4.286 -4.122 -9.405 1.00 0.00 C ATOM 1232 C ASN B 30 3.324 -3.129 -8.758 1.00 0.00 C ATOM 1233 O ASN B 30 3.745 -2.103 -8.225 1.00 0.00 O ATOM 1234 CB ASN B 30 4.555 -3.715 -10.854 1.00 0.00 C ATOM 1235 CG ASN B 30 5.414 -4.727 -11.589 1.00 0.00 C ATOM 1236 OD1 ASN B 30 4.907 -5.704 -12.141 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.720 -4.495 -11.599 1.00 0.00 N ATOM 0 H ASN B 30 3.322 -5.800 -10.215 1.00 0.00 H new ATOM 0 HA ASN B 30 5.223 -4.106 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.606 -3.599 -11.378 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.049 -2.743 -10.870 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.349 -5.140 -12.078 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.095 -3.672 -11.128 1.00 0.00 H new ATOM 1244 N LEU B 31 2.033 -3.436 -8.814 1.00 0.00 N ATOM 1245 CA LEU B 31 1.016 -2.564 -8.237 1.00 0.00 C ATOM 1246 C LEU B 31 1.158 -2.479 -6.720 1.00 0.00 C ATOM 1247 O LEU B 31 1.280 -1.388 -6.161 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.382 -3.065 -8.606 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.538 -2.226 -8.058 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.681 -0.935 -8.851 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.835 -3.021 -8.088 1.00 0.00 C ATOM 0 H LEU B 31 1.666 -4.281 -9.252 1.00 0.00 H new ATOM 0 HA LEU B 31 1.158 -1.564 -8.648 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.463 -3.101 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.492 -4.087 -8.244 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.318 -1.969 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.508 -0.350 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.759 -0.359 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -1.879 -1.170 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.646 -2.409 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.062 -3.308 -9.115 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.727 -3.917 -7.476 1.00 0.00 H new ATOM 1263 N VAL B 32 1.135 -3.629 -6.059 1.00 0.00 N ATOM 1264 CA VAL B 32 1.257 -3.677 -4.606 1.00 0.00 C ATOM 1265 C VAL B 32 2.621 -3.165 -4.151 1.00 0.00 C ATOM 1266 O VAL B 32 2.721 -2.444 -3.158 1.00 0.00 O ATOM 1267 CB VAL B 32 1.049 -5.107 -4.068 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.017 -5.108 -2.545 1.00 0.00 C ATOM 1269 CG2 VAL B 32 -0.228 -5.714 -4.633 1.00 0.00 C ATOM 0 H VAL B 32 1.033 -4.541 -6.504 1.00 0.00 H new ATOM 0 HA VAL B 32 0.477 -3.031 -4.203 1.00 0.00 H new ATOM 0 HB VAL B 32 1.890 -5.720 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL B 32 0.869 -6.126 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL B 32 1.961 -4.721 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.198 -4.478 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -0.356 -6.723 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -1.081 -5.101 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -0.162 -5.753 -5.720 1.00 0.00 H new ATOM 1279 N ALA B 33 3.668 -3.541 -4.879 1.00 0.00 N ATOM 1280 CA ALA B 33 5.021 -3.117 -4.542 1.00 0.00 C ATOM 1281 C ALA B 33 5.200 -1.621 -4.774 1.00 0.00 C ATOM 1282 O ALA B 33 5.968 -0.963 -4.072 1.00 0.00 O ATOM 1283 CB ALA B 33 6.041 -3.905 -5.351 1.00 0.00 C ATOM 0 H ALA B 33 3.605 -4.137 -5.704 1.00 0.00 H new ATOM 0 HA ALA B 33 5.184 -3.317 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.046 -3.577 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.937 -4.968 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.871 -3.736 -6.414 1.00 0.00 H new ATOM 1289 N ARG B 34 4.486 -1.088 -5.759 1.00 0.00 N ATOM 1290 CA ARG B 34 4.570 0.333 -6.077 1.00 0.00 C ATOM 1291 C ARG B 34 3.913 1.173 -4.984 1.00 0.00 C ATOM 1292 O ARG B 34 4.315 2.310 -4.739 1.00 0.00 O ATOM 1293 CB ARG B 34 3.910 0.619 -7.427 1.00 0.00 C ATOM 1294 CG ARG B 34 4.857 0.477 -8.606 1.00 0.00 C ATOM 1295 CD ARG B 34 4.132 0.635 -9.931 1.00 0.00 C ATOM 1296 NE ARG B 34 5.050 0.960 -11.022 1.00 0.00 N ATOM 1297 CZ ARG B 34 4.688 1.064 -12.300 1.00 0.00 C ATOM 1298 NH1 ARG B 34 3.426 0.859 -12.664 1.00 0.00 N ATOM 1299 NH2 ARG B 34 5.593 1.372 -13.219 1.00 0.00 N ATOM 0 H ARG B 34 3.844 -1.617 -6.350 1.00 0.00 H new ATOM 0 HA ARG B 34 5.624 0.605 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG B 34 3.069 -0.061 -7.563 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.504 1.630 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.646 1.225 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.340 -0.500 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.601 -0.288 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG B 34 3.382 1.421 -9.842 1.00 0.00 H new ATOM 0 HE ARG B 34 6.031 1.117 -10.790 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.725 0.620 -11.962 1.00 0.00 H new ATOM 0 HH12 ARG B 34 3.158 0.941 -13.645 1.00 0.00 H new ATOM 0 HH21 ARG B 34 6.563 1.529 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG B 34 5.319 1.452 -14.198 1.00 0.00 H new ATOM 1313 N GLN B 35 2.901 0.605 -4.334 1.00 0.00 N ATOM 1314 CA GLN B 35 2.192 1.302 -3.269 1.00 0.00 C ATOM 1315 C GLN B 35 3.135 1.652 -2.123 1.00 0.00 C ATOM 1316 O GLN B 35 2.990 2.695 -1.484 1.00 0.00 O ATOM 1317 CB GLN B 35 1.038 0.445 -2.749 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.238 0.585 -3.562 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.142 1.684 -3.040 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.223 2.766 -3.620 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.830 1.410 -1.937 1.00 0.00 N ATOM 0 H GLN B 35 2.555 -0.335 -4.527 1.00 0.00 H new ATOM 0 HA GLN B 35 1.792 2.228 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.345 -0.601 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.831 0.718 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.018 0.793 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.778 -0.362 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.733 0.499 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.456 2.110 -1.539 1.00 0.00 H new ATOM 1330 N ILE B 36 4.103 0.777 -1.870 1.00 0.00 N ATOM 1331 CA ILE B 36 5.068 1.002 -0.800 1.00 0.00 C ATOM 1332 C ILE B 36 5.998 2.157 -1.150 1.00 0.00 C ATOM 1333 O ILE B 36 6.159 3.096 -0.372 1.00 0.00 O ATOM 1334 CB ILE B 36 5.909 -0.263 -0.521 1.00 0.00 C ATOM 1335 CG1 ILE B 36 4.999 -1.473 -0.306 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.803 -0.049 0.692 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.749 -2.786 -0.234 1.00 0.00 C ATOM 0 H ILE B 36 4.240 -0.091 -2.389 1.00 0.00 H new ATOM 0 HA ILE B 36 4.502 1.249 0.098 1.00 0.00 H new ATOM 0 HB ILE B 36 6.541 -0.456 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.435 -1.334 0.616 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.274 -1.522 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.389 -0.950 0.875 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.474 0.789 0.506 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.187 0.167 1.565 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.042 -3.601 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.291 -2.947 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.455 -2.757 0.596 1.00 0.00 H new ATOM 1349 N VAL B 37 6.602 2.082 -2.332 1.00 0.00 N ATOM 1350 CA VAL B 37 7.510 3.124 -2.793 1.00 0.00 C ATOM 1351 C VAL B 37 6.770 4.448 -2.970 1.00 0.00 C ATOM 1352 O VAL B 37 7.297 5.514 -2.655 1.00 0.00 O ATOM 1353 CB VAL B 37 8.179 2.732 -4.125 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.208 3.775 -4.543 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.822 1.358 -4.013 1.00 0.00 C ATOM 0 H VAL B 37 6.478 1.310 -2.987 1.00 0.00 H new ATOM 0 HA VAL B 37 8.282 3.241 -2.032 1.00 0.00 H new ATOM 0 HB VAL B 37 7.409 2.691 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.667 3.476 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.718 4.740 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.977 3.856 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.290 1.097 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.578 1.373 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.060 0.618 -3.768 1.00 0.00 H new ATOM 1365 N ASN B 38 5.543 4.368 -3.472 1.00 0.00 N ATOM 1366 CA ASN B 38 4.728 5.556 -3.688 1.00 0.00 C ATOM 1367 C ASN B 38 4.464 6.278 -2.371 1.00 0.00 C ATOM 1368 O ASN B 38 4.444 7.507 -2.318 1.00 0.00 O ATOM 1369 CB ASN B 38 3.402 5.179 -4.350 1.00 0.00 C ATOM 1370 CG ASN B 38 3.504 5.135 -5.862 1.00 0.00 C ATOM 1371 OD1 ASN B 38 2.732 5.782 -6.567 1.00 0.00 O ATOM 1372 ND2 ASN B 38 4.462 4.365 -6.367 1.00 0.00 N ATOM 0 H ASN B 38 5.091 3.493 -3.737 1.00 0.00 H new ATOM 0 HA ASN B 38 5.276 6.227 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN B 38 3.079 4.205 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.637 5.899 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN B 38 4.579 4.294 -7.378 1.00 0.00 H new ATOM 0 HD22 ASN B 38 5.080 3.845 -5.744 1.00 0.00 H new ATOM 1379 N SER B 39 4.263 5.503 -1.311 1.00 0.00 N ATOM 1380 CA SER B 39 4.002 6.068 0.008 1.00 0.00 C ATOM 1381 C SER B 39 5.203 6.864 0.505 1.00 0.00 C ATOM 1382 O SER B 39 5.051 7.839 1.242 1.00 0.00 O ATOM 1383 CB SER B 39 3.666 4.955 1.003 1.00 0.00 C ATOM 1384 OG SER B 39 2.812 5.430 2.029 1.00 0.00 O ATOM 0 H SER B 39 4.276 4.483 -1.339 1.00 0.00 H new ATOM 0 HA SER B 39 3.150 6.743 -0.074 1.00 0.00 H new ATOM 0 HB2 SER B 39 3.186 4.128 0.480 1.00 0.00 H new ATOM 0 HB3 SER B 39 4.585 4.565 1.441 1.00 0.00 H new ATOM 0 HG SER B 39 2.611 4.700 2.651 1.00 0.00 H new ATOM 1390 N CYS B 40 6.396 6.446 0.097 1.00 0.00 N ATOM 1391 CA CYS B 40 7.622 7.124 0.503 1.00 0.00 C ATOM 1392 C CYS B 40 7.707 8.514 -0.119 1.00 0.00 C ATOM 1393 O CYS B 40 7.720 8.660 -1.342 1.00 0.00 O ATOM 1394 CB CYS B 40 8.847 6.300 0.100 1.00 0.00 C ATOM 1395 SG CYS B 40 10.408 6.953 0.736 1.00 0.00 S ATOM 0 H CYS B 40 6.540 5.642 -0.514 1.00 0.00 H new ATOM 0 HA CYS B 40 7.604 7.229 1.588 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.719 5.278 0.457 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.900 6.253 -0.988 1.00 0.00 H new ATOM 0 HG CYS B 40 11.339 6.801 -0.159 1.00 0.00 H new ATOM 1400 N ALA B 41 7.773 9.534 0.733 1.00 0.00 N ATOM 1401 CA ALA B 41 7.863 10.911 0.267 1.00 0.00 C ATOM 1402 C ALA B 41 9.271 11.226 -0.227 1.00 0.00 C ATOM 1403 O ALA B 41 9.449 11.932 -1.221 1.00 0.00 O ATOM 1404 CB ALA B 41 7.460 11.870 1.377 1.00 0.00 C ATOM 0 H ALA B 41 7.766 9.431 1.748 1.00 0.00 H new ATOM 0 HA ALA B 41 7.175 11.036 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA B 41 7.532 12.896 1.015 1.00 0.00 H new ATOM 0 HB2 ALA B 41 6.434 11.664 1.682 1.00 0.00 H new ATOM 0 HB3 ALA B 41 8.125 11.739 2.230 1.00 0.00 H new ATOM 1410 N GLN B 42 10.269 10.694 0.473 1.00 0.00 N ATOM 1411 CA GLN B 42 11.664 10.913 0.106 1.00 0.00 C ATOM 1412 C GLN B 42 11.957 10.353 -1.282 1.00 0.00 C ATOM 1413 O GLN B 42 12.817 10.866 -2.000 1.00 0.00 O ATOM 1414 CB GLN B 42 12.589 10.264 1.138 1.00 0.00 C ATOM 1415 CG GLN B 42 12.281 10.663 2.572 1.00 0.00 C ATOM 1416 CD GLN B 42 13.528 10.754 3.430 1.00 0.00 C ATOM 1417 OE1 GLN B 42 14.316 9.811 3.504 1.00 0.00 O ATOM 1418 NE2 GLN B 42 13.713 11.893 4.086 1.00 0.00 N ATOM 0 H GLN B 42 10.137 10.108 1.298 1.00 0.00 H new ATOM 0 HA GLN B 42 11.846 11.988 0.088 1.00 0.00 H new ATOM 0 HB2 GLN B 42 12.515 9.180 1.048 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.620 10.533 0.909 1.00 0.00 H new ATOM 0 HG2 GLN B 42 11.770 11.626 2.576 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.596 9.937 3.009 1.00 0.00 H new ATOM 0 HE21 GLN B 42 13.035 12.649 3.996 1.00 0.00 H new ATOM 0 HE22 GLN B 42 14.534 12.012 4.680 1.00 0.00 H new ATOM 1427 N CYS B 43 11.238 9.300 -1.656 1.00 0.00 N ATOM 1428 CA CYS B 43 11.420 8.671 -2.959 1.00 0.00 C ATOM 1429 C CYS B 43 10.478 9.280 -3.993 1.00 0.00 C ATOM 1430 O CYS B 43 10.802 9.344 -5.179 1.00 0.00 O ATOM 1431 CB CYS B 43 11.188 7.160 -2.862 1.00 0.00 C ATOM 1432 SG CYS B 43 12.611 6.236 -2.239 1.00 0.00 S ATOM 0 H CYS B 43 10.523 8.864 -1.074 1.00 0.00 H new ATOM 0 HA CYS B 43 12.446 8.850 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.334 6.975 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.924 6.779 -3.849 1.00 0.00 H new ATOM 0 HG CYS B 43 12.207 5.337 -1.391 1.00 0.00 H new ATOM 1437 N GLN B 44 9.313 9.726 -3.538 1.00 0.00 N ATOM 1438 CA GLN B 44 8.327 10.330 -4.427 1.00 0.00 C ATOM 1439 C GLN B 44 8.882 11.601 -5.063 1.00 0.00 C ATOM 1440 O GLN B 44 8.882 11.746 -6.288 1.00 0.00 O ATOM 1441 CB GLN B 44 7.042 10.649 -3.659 1.00 0.00 C ATOM 1442 CG GLN B 44 5.996 9.550 -3.742 1.00 0.00 C ATOM 1443 CD GLN B 44 4.610 10.041 -3.375 1.00 0.00 C ATOM 1444 OE1 GLN B 44 3.797 10.352 -4.244 1.00 0.00 O ATOM 1445 NE2 GLN B 44 4.334 10.114 -2.078 1.00 0.00 N ATOM 0 H GLN B 44 9.028 9.681 -2.560 1.00 0.00 H new ATOM 0 HA GLN B 44 8.099 9.616 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN B 44 7.289 10.826 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN B 44 6.617 11.574 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN B 44 5.979 9.145 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN B 44 6.277 8.734 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN B 44 5.038 9.846 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN B 44 3.418 10.438 -1.769 1.00 0.00 H new