USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 783 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 46 SER OG : rot -86:sc= 0.137 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.54! C(o=-1.4!,f=-5.1!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -7.51! C(o=-8!,f=-8.2!) USER MOD Set 2.2: A 13 MET CE :methyl 178:sc= -0.511 (180deg=-0.489) USER MOD Single : A 9 TYR OH : rot -15:sc= 0.00285 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -5.8! C(o=-7.2!,f=-5.8!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.991 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.67 X(o=-1.7,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 84:sc= 0.487 USER MOD Single : A 36 SER OG : rot 180:sc=-0.000672 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.6) USER MOD Single : A 49 SER OG : rot -170:sc= 0.427 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.00488) USER MOD Single : A 58 SER OG : rot -50:sc= 2.7 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -159:sc= -2.65! (180deg=-3.6!) USER MOD Single : A 69 CYS SG : rot 38:sc= -4.67! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 150:sc= 1.1 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -56:sc= 0.382 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -1.32 F(o=-4.4,f=-1.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 -0.892 6.459 -8.560 1.00 0.00 N ATOM 67 CA TRP A 8 -1.240 5.739 -7.347 1.00 0.00 C ATOM 68 C TRP A 8 -1.308 6.750 -6.200 1.00 0.00 C ATOM 69 O TRP A 8 -2.261 6.749 -5.423 1.00 0.00 O ATOM 70 CB TRP A 8 -0.252 4.601 -7.083 1.00 0.00 C ATOM 71 CG TRP A 8 1.118 4.802 -7.734 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.557 4.309 -8.900 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.216 5.576 -7.206 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.853 4.706 -9.161 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.266 5.501 -8.099 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.318 6.315 -6.014 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.494 6.142 -7.893 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.552 6.949 -5.824 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.618 6.884 -6.712 1.00 0.00 C ATOM 0 HA TRP A 8 -2.214 5.261 -7.448 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.119 4.492 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.682 3.668 -7.447 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.971 3.680 -9.553 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.406 4.461 -9.982 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.509 6.388 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.302 6.068 -8.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.684 7.530 -4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.539 7.404 -6.492 1.00 0.00 H new ATOM 90 N TYR A 9 -0.284 7.588 -6.131 1.00 0.00 N ATOM 91 CA TYR A 9 -0.216 8.602 -5.092 1.00 0.00 C ATOM 92 C TYR A 9 -1.516 9.405 -5.023 1.00 0.00 C ATOM 93 O TYR A 9 -1.745 10.294 -5.842 1.00 0.00 O ATOM 94 CB TYR A 9 0.927 9.537 -5.490 1.00 0.00 C ATOM 95 CG TYR A 9 1.364 10.494 -4.379 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.269 10.077 -3.425 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.852 11.775 -4.331 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.680 10.978 -2.380 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.263 12.676 -3.286 1.00 0.00 C ATOM 100 CZ TYR A 9 2.157 12.233 -2.362 1.00 0.00 C ATOM 101 OH TYR A 9 2.545 13.084 -1.374 1.00 0.00 O ATOM 0 H TYR A 9 0.505 7.586 -6.777 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.059 8.142 -4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.784 8.937 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.620 10.120 -6.358 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.669 9.075 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.143 12.101 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.388 10.664 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.870 13.681 -3.237 1.00 0.00 H new ATOM 0 HH TYR A 9 2.986 12.577 -0.660 1.00 0.00 H new ATOM 111 N HIS A 10 -2.334 9.063 -4.039 1.00 0.00 N ATOM 112 CA HIS A 10 -3.606 9.741 -3.853 1.00 0.00 C ATOM 113 C HIS A 10 -3.380 11.062 -3.115 1.00 0.00 C ATOM 114 O HIS A 10 -4.086 12.040 -3.355 1.00 0.00 O ATOM 115 CB HIS A 10 -4.609 8.830 -3.143 1.00 0.00 C ATOM 116 CG HIS A 10 -5.109 7.686 -3.993 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.231 7.784 -4.797 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.627 6.421 -4.157 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.408 6.624 -5.412 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.413 5.780 -5.014 1.00 0.00 N ATOM 0 H HIS A 10 -2.141 8.325 -3.362 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.042 9.977 -4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.144 8.425 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.461 9.428 -2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.754 6.010 -3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.201 6.388 -6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.293 4.816 -5.324 1.00 0.00 H new ATOM 128 N GLY A 11 -2.392 11.048 -2.232 1.00 0.00 N ATOM 129 CA GLY A 11 -2.064 12.233 -1.458 1.00 0.00 C ATOM 130 C GLY A 11 -2.505 12.076 -0.001 1.00 0.00 C ATOM 131 O GLY A 11 -1.917 11.297 0.748 1.00 0.00 O ATOM 0 H GLY A 11 -1.808 10.235 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.990 12.413 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.550 13.104 -1.897 1.00 0.00 H new ATOM 135 N HIS A 12 -3.535 12.828 0.356 1.00 0.00 N ATOM 136 CA HIS A 12 -4.061 12.781 1.710 1.00 0.00 C ATOM 137 C HIS A 12 -5.278 11.854 1.756 1.00 0.00 C ATOM 138 O HIS A 12 -6.403 12.289 1.514 1.00 0.00 O ATOM 139 CB HIS A 12 -4.370 14.190 2.221 1.00 0.00 C ATOM 140 CG HIS A 12 -4.933 14.225 3.622 1.00 0.00 C ATOM 141 ND1 HIS A 12 -5.846 13.419 4.236 1.00 0.00 N flip ATOM 142 CD2 HIS A 12 -4.559 15.175 4.557 1.00 0.00 C flip ATOM 143 CE1 HIS A 12 -6.019 13.852 5.479 1.00 0.00 C flip ATOM 144 NE2 HIS A 12 -5.222 14.941 5.679 1.00 0.00 N flip ATOM 0 H HIS A 12 -4.020 13.473 -0.268 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.308 12.369 2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.457 14.784 2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.080 14.664 1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.847 15.972 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.681 13.414 6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.150 15.480 6.542 1.00 0.00 H new ATOM 152 N MET A 13 -5.010 10.595 2.068 1.00 0.00 N ATOM 153 CA MET A 13 -6.069 9.603 2.149 1.00 0.00 C ATOM 154 C MET A 13 -6.159 9.011 3.557 1.00 0.00 C ATOM 155 O MET A 13 -5.179 9.017 4.301 1.00 0.00 O ATOM 156 CB MET A 13 -5.798 8.484 1.141 1.00 0.00 C ATOM 157 CG MET A 13 -6.961 7.490 1.100 1.00 0.00 C ATOM 158 SD MET A 13 -6.672 6.264 -0.165 1.00 0.00 S ATOM 159 CE MET A 13 -7.340 7.118 -1.582 1.00 0.00 C ATOM 0 H MET A 13 -4.075 10.239 2.268 1.00 0.00 H new ATOM 0 HA MET A 13 -7.016 10.090 1.919 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.645 8.911 0.150 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.879 7.963 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.070 7.005 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.894 8.017 0.901 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.208 6.504 -2.473 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.402 7.306 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.819 8.066 -1.714 1.00 0.00 H new ATOM 169 N SER A 14 -7.343 8.513 3.880 1.00 0.00 N ATOM 170 CA SER A 14 -7.574 7.918 5.185 1.00 0.00 C ATOM 171 C SER A 14 -7.518 6.393 5.083 1.00 0.00 C ATOM 172 O SER A 14 -8.228 5.794 4.277 1.00 0.00 O ATOM 173 CB SER A 14 -8.920 8.362 5.763 1.00 0.00 C ATOM 174 OG SER A 14 -9.840 7.279 5.865 1.00 0.00 O ATOM 0 H SER A 14 -8.153 8.509 3.260 1.00 0.00 H new ATOM 0 HA SER A 14 -6.789 8.260 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.765 8.800 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.346 9.142 5.132 1.00 0.00 H new ATOM 0 HG SER A 14 -10.686 7.603 6.239 1.00 0.00 H new ATOM 180 N GLY A 15 -6.665 5.807 5.911 1.00 0.00 N ATOM 181 CA GLY A 15 -6.507 4.363 5.924 1.00 0.00 C ATOM 182 C GLY A 15 -7.850 3.662 5.710 1.00 0.00 C ATOM 183 O GLY A 15 -8.041 2.971 4.710 1.00 0.00 O ATOM 0 H GLY A 15 -6.076 6.306 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.808 4.063 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.077 4.049 6.875 1.00 0.00 H new ATOM 187 N GLY A 16 -8.746 3.864 6.665 1.00 0.00 N ATOM 188 CA GLY A 16 -10.065 3.260 6.593 1.00 0.00 C ATOM 189 C GLY A 16 -10.667 3.422 5.196 1.00 0.00 C ATOM 190 O GLY A 16 -11.365 2.534 4.709 1.00 0.00 O ATOM 0 H GLY A 16 -8.584 4.438 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.998 2.201 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.721 3.721 7.331 1.00 0.00 H new ATOM 194 N GLN A 17 -10.375 4.563 4.589 1.00 0.00 N ATOM 195 CA GLN A 17 -10.879 4.853 3.257 1.00 0.00 C ATOM 196 C GLN A 17 -10.257 3.899 2.235 1.00 0.00 C ATOM 197 O GLN A 17 -10.962 3.110 1.608 1.00 0.00 O ATOM 198 CB GLN A 17 -10.615 6.312 2.877 1.00 0.00 C ATOM 199 CG GLN A 17 -11.896 6.990 2.387 1.00 0.00 C ATOM 200 CD GLN A 17 -11.774 8.514 2.467 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.001 9.127 3.497 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.405 9.087 1.326 1.00 0.00 N ATOM 0 H GLN A 17 -9.796 5.298 4.995 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.958 4.701 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.221 6.851 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.854 6.357 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.100 6.691 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.741 6.657 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.231 8.514 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.296 10.100 1.276 1.00 0.00 H new ATOM 211 N ALA A 18 -8.943 4.003 2.099 1.00 0.00 N ATOM 212 CA ALA A 18 -8.219 3.159 1.164 1.00 0.00 C ATOM 213 C ALA A 18 -8.825 1.754 1.177 1.00 0.00 C ATOM 214 O ALA A 18 -9.172 1.214 0.127 1.00 0.00 O ATOM 215 CB ALA A 18 -6.732 3.156 1.525 1.00 0.00 C ATOM 0 H ALA A 18 -8.361 4.659 2.621 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.307 3.547 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.189 2.523 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.343 4.173 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.604 2.770 2.536 1.00 0.00 H new ATOM 221 N GLU A 19 -8.934 1.202 2.376 1.00 0.00 N ATOM 222 CA GLU A 19 -9.492 -0.130 2.539 1.00 0.00 C ATOM 223 C GLU A 19 -10.791 -0.262 1.742 1.00 0.00 C ATOM 224 O GLU A 19 -10.967 -1.220 0.990 1.00 0.00 O ATOM 225 CB GLU A 19 -9.720 -0.451 4.017 1.00 0.00 C ATOM 226 CG GLU A 19 -8.592 -1.326 4.569 1.00 0.00 C ATOM 227 CD GLU A 19 -9.142 -2.403 5.507 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.070 -3.116 5.069 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.622 -2.488 6.640 1.00 0.00 O ATOM 0 H GLU A 19 -8.645 1.653 3.244 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.775 -0.854 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.780 0.475 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.675 -0.963 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.055 -1.796 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.874 -0.705 5.104 1.00 0.00 H new ATOM 236 N THR A 20 -11.667 0.713 1.933 1.00 0.00 N ATOM 237 CA THR A 20 -12.945 0.718 1.242 1.00 0.00 C ATOM 238 C THR A 20 -12.745 1.014 -0.246 1.00 0.00 C ATOM 239 O THR A 20 -13.392 0.405 -1.096 1.00 0.00 O ATOM 240 CB THR A 20 -13.859 1.723 1.944 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.468 0.968 2.989 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.034 2.159 1.066 1.00 0.00 C ATOM 0 H THR A 20 -11.517 1.506 2.557 1.00 0.00 H new ATOM 0 HA THR A 20 -13.422 -0.261 1.286 1.00 0.00 H new ATOM 0 HB THR A 20 -13.279 2.599 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.077 1.544 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.651 2.872 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.655 2.628 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.634 1.288 0.802 1.00 0.00 H new ATOM 250 N LEU A 21 -11.846 1.950 -0.514 1.00 0.00 N ATOM 251 CA LEU A 21 -11.553 2.335 -1.884 1.00 0.00 C ATOM 252 C LEU A 21 -11.048 1.114 -2.656 1.00 0.00 C ATOM 253 O LEU A 21 -11.620 0.743 -3.680 1.00 0.00 O ATOM 254 CB LEU A 21 -10.588 3.522 -1.912 1.00 0.00 C ATOM 255 CG LEU A 21 -11.192 4.886 -1.571 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.816 5.313 -0.151 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.795 5.937 -2.610 1.00 0.00 C ATOM 0 H LEU A 21 -11.311 2.453 0.194 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.458 2.677 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.776 3.321 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.145 3.581 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.278 4.796 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.258 6.286 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.190 4.578 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.731 5.381 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.237 6.897 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.709 6.032 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.155 5.632 -3.592 1.00 0.00 H new ATOM 269 N LEU A 22 -9.983 0.524 -2.134 1.00 0.00 N ATOM 270 CA LEU A 22 -9.395 -0.648 -2.761 1.00 0.00 C ATOM 271 C LEU A 22 -10.482 -1.700 -2.987 1.00 0.00 C ATOM 272 O LEU A 22 -10.499 -2.369 -4.019 1.00 0.00 O ATOM 273 CB LEU A 22 -8.208 -1.156 -1.940 1.00 0.00 C ATOM 274 CG LEU A 22 -6.902 -0.373 -2.093 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.934 -0.695 -0.953 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.273 -0.618 -3.465 1.00 0.00 C ATOM 0 H LEU A 22 -9.512 0.835 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.990 -0.393 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.491 -1.150 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.020 -2.194 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.132 0.691 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.014 -0.126 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.392 -0.428 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.705 -1.761 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.346 -0.050 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.059 -1.680 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.965 -0.299 -4.245 1.00 0.00 H new ATOM 288 N GLN A 23 -11.364 -1.814 -2.004 1.00 0.00 N ATOM 289 CA GLN A 23 -12.452 -2.774 -2.083 1.00 0.00 C ATOM 290 C GLN A 23 -13.481 -2.326 -3.123 1.00 0.00 C ATOM 291 O GLN A 23 -13.961 -3.135 -3.915 1.00 0.00 O ATOM 292 CB GLN A 23 -13.107 -2.973 -0.715 1.00 0.00 C ATOM 293 CG GLN A 23 -12.202 -3.786 0.213 1.00 0.00 C ATOM 294 CD GLN A 23 -12.805 -3.889 1.616 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.749 -3.200 1.965 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.210 -4.786 2.396 1.00 0.00 N ATOM 0 H GLN A 23 -11.347 -1.258 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.042 -3.734 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.319 -2.003 -0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.062 -3.484 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.057 -4.785 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.219 -3.318 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.424 -5.330 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.540 -4.931 3.350 1.00 0.00 H new ATOM 305 N ALA A 24 -13.788 -1.038 -3.088 1.00 0.00 N ATOM 306 CA ALA A 24 -14.751 -0.472 -4.018 1.00 0.00 C ATOM 307 C ALA A 24 -14.424 -0.947 -5.435 1.00 0.00 C ATOM 308 O ALA A 24 -15.326 -1.193 -6.235 1.00 0.00 O ATOM 309 CB ALA A 24 -14.743 1.053 -3.897 1.00 0.00 C ATOM 0 H ALA A 24 -13.387 -0.370 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.759 -0.812 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.465 1.477 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.010 1.339 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.748 1.431 -4.131 1.00 0.00 H new ATOM 315 N LYS A 25 -13.131 -1.061 -5.703 1.00 0.00 N ATOM 316 CA LYS A 25 -12.674 -1.501 -7.010 1.00 0.00 C ATOM 317 C LYS A 25 -12.706 -3.030 -7.068 1.00 0.00 C ATOM 318 O LYS A 25 -13.338 -3.609 -7.950 1.00 0.00 O ATOM 319 CB LYS A 25 -11.303 -0.902 -7.328 1.00 0.00 C ATOM 320 CG LYS A 25 -11.236 -0.427 -8.781 1.00 0.00 C ATOM 321 CD LYS A 25 -11.112 1.096 -8.855 1.00 0.00 C ATOM 322 CE LYS A 25 -11.341 1.596 -10.283 1.00 0.00 C ATOM 323 NZ LYS A 25 -10.325 2.609 -10.646 1.00 0.00 N ATOM 0 H LYS A 25 -12.386 -0.856 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.343 -1.138 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.104 -0.065 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.527 -1.646 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.384 -0.889 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.131 -0.749 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.837 1.557 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.123 1.401 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.294 0.759 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.339 2.026 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.495 2.938 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.389 3.415 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.376 2.187 -10.584 1.00 0.00 H new ATOM 337 N GLY A 26 -12.015 -3.641 -6.116 1.00 0.00 N ATOM 338 CA GLY A 26 -11.957 -5.091 -6.048 1.00 0.00 C ATOM 339 C GLY A 26 -10.703 -5.622 -6.746 1.00 0.00 C ATOM 340 O GLY A 26 -10.180 -6.673 -6.376 1.00 0.00 O ATOM 0 H GLY A 26 -11.491 -3.158 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.960 -5.410 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.845 -5.517 -6.515 1.00 0.00 H new ATOM 344 N GLU A 27 -10.256 -4.872 -7.742 1.00 0.00 N ATOM 345 CA GLU A 27 -9.074 -5.254 -8.495 1.00 0.00 C ATOM 346 C GLU A 27 -8.024 -5.862 -7.562 1.00 0.00 C ATOM 347 O GLU A 27 -7.507 -5.183 -6.677 1.00 0.00 O ATOM 348 CB GLU A 27 -8.501 -4.060 -9.260 1.00 0.00 C ATOM 349 CG GLU A 27 -9.413 -3.666 -10.424 1.00 0.00 C ATOM 350 CD GLU A 27 -9.111 -2.243 -10.900 1.00 0.00 C ATOM 351 OE1 GLU A 27 -7.964 -1.800 -10.672 1.00 0.00 O ATOM 352 OE2 GLU A 27 -10.033 -1.631 -11.481 1.00 0.00 O ATOM 0 H GLU A 27 -10.692 -4.001 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.362 -6.008 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.382 -3.213 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.509 -4.308 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.278 -4.366 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.456 -3.736 -10.114 1.00 0.00 H new ATOM 359 N PRO A 28 -7.733 -7.170 -7.799 1.00 0.00 N ATOM 360 CA PRO A 28 -6.755 -7.877 -6.990 1.00 0.00 C ATOM 361 C PRO A 28 -5.331 -7.456 -7.361 1.00 0.00 C ATOM 362 O PRO A 28 -5.004 -7.328 -8.540 1.00 0.00 O ATOM 363 CB PRO A 28 -7.024 -9.350 -7.246 1.00 0.00 C ATOM 364 CG PRO A 28 -7.829 -9.410 -8.534 1.00 0.00 C ATOM 365 CD PRO A 28 -8.325 -8.006 -8.839 1.00 0.00 C ATOM 0 HA PRO A 28 -6.843 -7.649 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.092 -9.906 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.577 -9.795 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.213 -9.783 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.669 -10.097 -8.428 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.013 -7.683 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.414 -7.957 -8.815 1.00 0.00 H new ATOM 373 N TRP A 29 -4.521 -7.254 -6.332 1.00 0.00 N ATOM 374 CA TRP A 29 -3.140 -6.851 -6.534 1.00 0.00 C ATOM 375 C TRP A 29 -3.132 -5.375 -6.936 1.00 0.00 C ATOM 376 O TRP A 29 -2.504 -5.000 -7.925 1.00 0.00 O ATOM 377 CB TRP A 29 -2.450 -7.753 -7.560 1.00 0.00 C ATOM 378 CG TRP A 29 -2.568 -9.247 -7.253 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.974 -10.228 -8.071 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.259 -9.895 -6.001 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.949 -11.455 -7.441 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.500 -11.247 -6.142 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.790 -9.357 -4.790 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.302 -12.172 -5.111 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.598 -10.296 -3.769 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.836 -11.659 -3.895 1.00 0.00 C ATOM 0 H TRP A 29 -4.795 -7.362 -5.355 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.567 -6.965 -5.614 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.877 -7.560 -8.544 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.395 -7.485 -7.612 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.282 -10.077 -9.095 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.212 -12.350 -7.853 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.593 -8.303 -4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.498 -13.225 -5.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.240 -9.935 -2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.662 -12.320 -3.058 1.00 0.00 H new ATOM 397 N THR A 30 -3.837 -4.576 -6.148 1.00 0.00 N ATOM 398 CA THR A 30 -3.919 -3.149 -6.409 1.00 0.00 C ATOM 399 C THR A 30 -3.329 -2.358 -5.239 1.00 0.00 C ATOM 400 O THR A 30 -3.833 -2.431 -4.119 1.00 0.00 O ATOM 401 CB THR A 30 -5.381 -2.805 -6.699 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.797 -3.808 -7.622 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.531 -1.497 -7.479 1.00 0.00 C ATOM 0 H THR A 30 -4.357 -4.890 -5.328 1.00 0.00 H new ATOM 0 HA THR A 30 -3.326 -2.871 -7.280 1.00 0.00 H new ATOM 0 HB THR A 30 -5.930 -2.733 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.062 -4.614 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.588 -1.300 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.102 -0.678 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.010 -1.581 -8.433 1.00 0.00 H new ATOM 411 N PHE A 31 -2.270 -1.621 -5.539 1.00 0.00 N ATOM 412 CA PHE A 31 -1.607 -0.817 -4.527 1.00 0.00 C ATOM 413 C PHE A 31 -1.888 0.672 -4.737 1.00 0.00 C ATOM 414 O PHE A 31 -2.408 1.068 -5.780 1.00 0.00 O ATOM 415 CB PHE A 31 -0.104 -1.066 -4.673 1.00 0.00 C ATOM 416 CG PHE A 31 0.575 -0.179 -5.718 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.442 -0.464 -7.041 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.311 0.895 -5.325 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.072 0.359 -8.012 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.941 1.718 -6.296 1.00 0.00 C ATOM 421 CZ PHE A 31 1.808 1.433 -7.619 1.00 0.00 C ATOM 0 H PHE A 31 -1.855 -1.564 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.971 -1.091 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.376 -0.905 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.057 -2.111 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.143 -1.316 -7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.416 1.122 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.967 0.132 -9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.526 2.570 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.287 2.059 -8.357 1.00 0.00 H new ATOM 431 N LEU A 32 -1.532 1.457 -3.731 1.00 0.00 N ATOM 432 CA LEU A 32 -1.740 2.893 -3.793 1.00 0.00 C ATOM 433 C LEU A 32 -0.935 3.569 -2.681 1.00 0.00 C ATOM 434 O LEU A 32 -0.926 3.101 -1.544 1.00 0.00 O ATOM 435 CB LEU A 32 -3.234 3.221 -3.756 1.00 0.00 C ATOM 436 CG LEU A 32 -3.866 3.317 -2.366 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.441 4.605 -1.658 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.388 3.182 -2.444 1.00 0.00 C ATOM 0 H LEU A 32 -1.101 1.125 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.374 3.290 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.390 4.169 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.767 2.458 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.499 2.484 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.904 4.648 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.356 4.620 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.759 5.466 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.811 3.254 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.793 3.980 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.646 2.216 -2.878 1.00 0.00 H new ATOM 450 N VAL A 33 -0.279 4.660 -3.049 1.00 0.00 N ATOM 451 CA VAL A 33 0.527 5.405 -2.097 1.00 0.00 C ATOM 452 C VAL A 33 -0.291 6.574 -1.547 1.00 0.00 C ATOM 453 O VAL A 33 -0.948 7.288 -2.304 1.00 0.00 O ATOM 454 CB VAL A 33 1.836 5.848 -2.753 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.884 6.209 -1.698 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.364 4.772 -3.704 1.00 0.00 C ATOM 0 H VAL A 33 -0.289 5.046 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 33 0.800 4.773 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 33 1.630 6.743 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.805 6.520 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.511 7.024 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.084 5.340 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.295 5.112 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.546 3.852 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.628 4.584 -4.485 1.00 0.00 H new ATOM 466 N ARG A 34 -0.226 6.735 -0.233 1.00 0.00 N ATOM 467 CA ARG A 34 -0.953 7.806 0.427 1.00 0.00 C ATOM 468 C ARG A 34 -0.167 8.314 1.637 1.00 0.00 C ATOM 469 O ARG A 34 0.467 7.531 2.343 1.00 0.00 O ATOM 470 CB ARG A 34 -2.334 7.332 0.887 1.00 0.00 C ATOM 471 CG ARG A 34 -2.213 6.293 2.003 1.00 0.00 C ATOM 472 CD ARG A 34 -3.532 5.541 2.197 1.00 0.00 C ATOM 473 NE ARG A 34 -3.455 4.687 3.403 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.565 5.146 4.657 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.757 6.453 4.877 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.482 4.297 5.691 1.00 0.00 N ATOM 0 H ARG A 34 0.319 6.141 0.392 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.080 8.614 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.916 8.184 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.875 6.904 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.419 5.586 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.930 6.785 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.354 6.251 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.743 4.929 1.320 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.309 3.686 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.819 7.099 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.841 6.803 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.335 3.302 5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.566 4.646 6.646 1.00 0.00 H new ATOM 490 N GLU A 35 -0.234 9.621 1.840 1.00 0.00 N ATOM 491 CA GLU A 35 0.464 10.243 2.952 1.00 0.00 C ATOM 492 C GLU A 35 -0.152 9.798 4.280 1.00 0.00 C ATOM 493 O GLU A 35 -1.373 9.726 4.410 1.00 0.00 O ATOM 494 CB GLU A 35 0.449 11.768 2.825 1.00 0.00 C ATOM 495 CG GLU A 35 1.807 12.363 3.203 1.00 0.00 C ATOM 496 CD GLU A 35 1.677 13.844 3.562 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.243 14.608 2.673 1.00 0.00 O ATOM 498 OE2 GLU A 35 2.013 14.179 4.718 1.00 0.00 O ATOM 0 H GLU A 35 -0.761 10.267 1.253 1.00 0.00 H new ATOM 0 HA GLU A 35 1.505 9.920 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.197 12.049 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.326 12.183 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.225 11.816 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.503 12.246 2.372 1.00 0.00 H new ATOM 505 N SER A 36 0.722 9.510 5.234 1.00 0.00 N ATOM 506 CA SER A 36 0.280 9.074 6.547 1.00 0.00 C ATOM 507 C SER A 36 -0.369 10.240 7.295 1.00 0.00 C ATOM 508 O SER A 36 0.143 11.359 7.272 1.00 0.00 O ATOM 509 CB SER A 36 1.445 8.505 7.360 1.00 0.00 C ATOM 510 OG SER A 36 1.177 7.185 7.826 1.00 0.00 O ATOM 0 H SER A 36 1.734 9.570 5.123 1.00 0.00 H new ATOM 0 HA SER A 36 -0.456 8.281 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.346 8.497 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.645 9.156 8.211 1.00 0.00 H new ATOM 0 HG SER A 36 1.945 6.857 8.339 1.00 0.00 H new ATOM 516 N LEU A 37 -1.486 9.939 7.941 1.00 0.00 N ATOM 517 CA LEU A 37 -2.210 10.948 8.694 1.00 0.00 C ATOM 518 C LEU A 37 -1.802 10.870 10.167 1.00 0.00 C ATOM 519 O LEU A 37 -1.939 11.844 10.905 1.00 0.00 O ATOM 520 CB LEU A 37 -3.716 10.810 8.466 1.00 0.00 C ATOM 521 CG LEU A 37 -4.201 11.035 7.032 1.00 0.00 C ATOM 522 CD1 LEU A 37 -5.722 10.906 6.940 1.00 0.00 C ATOM 523 CD2 LEU A 37 -3.706 12.378 6.491 1.00 0.00 C ATOM 0 H LEU A 37 -1.907 9.010 7.958 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.948 11.946 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.021 9.811 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.228 11.518 9.117 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.774 10.256 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.039 11.071 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.022 9.907 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.190 11.648 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.064 12.514 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.084 13.185 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.616 12.394 6.498 1.00 0.00 H new ATOM 535 N SER A 38 -1.309 9.701 10.550 1.00 0.00 N ATOM 536 CA SER A 38 -0.880 9.483 11.921 1.00 0.00 C ATOM 537 C SER A 38 0.542 10.013 12.115 1.00 0.00 C ATOM 538 O SER A 38 0.923 10.386 13.223 1.00 0.00 O ATOM 539 CB SER A 38 -0.949 8.000 12.290 1.00 0.00 C ATOM 540 OG SER A 38 -2.199 7.654 12.879 1.00 0.00 O ATOM 0 H SER A 38 -1.197 8.895 9.935 1.00 0.00 H new ATOM 0 HA SER A 38 -1.556 10.026 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.790 7.396 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.143 7.761 12.984 1.00 0.00 H new ATOM 0 HG SER A 38 -2.204 6.699 13.099 1.00 0.00 H new ATOM 546 N GLN A 39 1.288 10.029 11.020 1.00 0.00 N ATOM 547 CA GLN A 39 2.659 10.508 11.056 1.00 0.00 C ATOM 548 C GLN A 39 2.946 11.389 9.839 1.00 0.00 C ATOM 549 O GLN A 39 2.824 10.939 8.700 1.00 0.00 O ATOM 550 CB GLN A 39 3.645 9.340 11.133 1.00 0.00 C ATOM 551 CG GLN A 39 4.341 9.299 12.495 1.00 0.00 C ATOM 552 CD GLN A 39 3.346 8.972 13.610 1.00 0.00 C ATOM 553 OE1 GLN A 39 2.439 8.172 13.452 1.00 0.00 O ATOM 554 NE2 GLN A 39 3.565 9.635 14.742 1.00 0.00 N ATOM 0 H GLN A 39 0.969 9.718 10.103 1.00 0.00 H new ATOM 0 HA GLN A 39 2.790 11.111 11.955 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.117 8.402 10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.390 9.435 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.134 8.551 12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.813 10.261 12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.343 10.291 14.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.955 9.487 15.546 1.00 0.00 H new ATOM 563 N PRO A 40 3.333 12.660 10.127 1.00 0.00 N ATOM 564 CA PRO A 40 3.638 13.608 9.069 1.00 0.00 C ATOM 565 C PRO A 40 4.997 13.302 8.435 1.00 0.00 C ATOM 566 O PRO A 40 6.036 13.478 9.069 1.00 0.00 O ATOM 567 CB PRO A 40 3.589 14.972 9.737 1.00 0.00 C ATOM 568 CG PRO A 40 3.717 14.711 11.229 1.00 0.00 C ATOM 569 CD PRO A 40 3.489 13.227 11.464 1.00 0.00 C ATOM 0 HA PRO A 40 2.929 13.558 8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.398 15.610 9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.655 15.485 9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.704 15.007 11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.988 15.302 11.784 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.330 12.775 11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.602 13.054 12.073 1.00 0.00 H new ATOM 577 N GLY A 41 4.944 12.850 7.191 1.00 0.00 N ATOM 578 CA GLY A 41 6.157 12.518 6.463 1.00 0.00 C ATOM 579 C GLY A 41 6.129 11.065 5.983 1.00 0.00 C ATOM 580 O GLY A 41 6.530 10.771 4.858 1.00 0.00 O ATOM 0 H GLY A 41 4.080 12.706 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.266 13.185 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.025 12.676 7.104 1.00 0.00 H new ATOM 584 N ASP A 42 5.650 10.195 6.860 1.00 0.00 N ATOM 585 CA ASP A 42 5.564 8.780 6.540 1.00 0.00 C ATOM 586 C ASP A 42 4.445 8.560 5.521 1.00 0.00 C ATOM 587 O ASP A 42 3.665 9.470 5.243 1.00 0.00 O ATOM 588 CB ASP A 42 5.240 7.952 7.785 1.00 0.00 C ATOM 589 CG ASP A 42 6.455 7.520 8.609 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.934 8.363 9.398 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.876 6.357 8.431 1.00 0.00 O ATOM 0 H ASP A 42 5.317 10.443 7.792 1.00 0.00 H new ATOM 0 HA ASP A 42 6.528 8.465 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.573 8.531 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.693 7.061 7.478 1.00 0.00 H new ATOM 596 N PHE A 43 4.401 7.346 4.992 1.00 0.00 N ATOM 597 CA PHE A 43 3.389 6.994 4.009 1.00 0.00 C ATOM 598 C PHE A 43 2.877 5.570 4.235 1.00 0.00 C ATOM 599 O PHE A 43 3.542 4.763 4.883 1.00 0.00 O ATOM 600 CB PHE A 43 4.056 7.071 2.634 1.00 0.00 C ATOM 601 CG PHE A 43 4.254 8.498 2.118 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.252 9.122 1.442 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.432 9.142 2.335 1.00 0.00 C ATOM 604 CE1 PHE A 43 3.436 10.446 0.963 1.00 0.00 C ATOM 605 CE2 PHE A 43 5.615 10.466 1.856 1.00 0.00 C ATOM 606 CZ PHE A 43 4.614 11.090 1.180 1.00 0.00 C ATOM 0 H PHE A 43 5.049 6.594 5.225 1.00 0.00 H new ATOM 0 HA PHE A 43 2.540 7.673 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.026 6.576 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.451 6.517 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.317 8.610 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.228 8.647 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.640 10.942 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.550 10.978 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.754 12.097 0.815 1.00 0.00 H new ATOM 616 N VAL A 44 1.700 5.305 3.689 1.00 0.00 N ATOM 617 CA VAL A 44 1.091 3.993 3.822 1.00 0.00 C ATOM 618 C VAL A 44 0.893 3.383 2.433 1.00 0.00 C ATOM 619 O VAL A 44 0.534 4.085 1.489 1.00 0.00 O ATOM 620 CB VAL A 44 -0.211 4.099 4.619 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.871 2.727 4.777 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.032 4.751 5.982 1.00 0.00 C ATOM 0 H VAL A 44 1.151 5.977 3.153 1.00 0.00 H new ATOM 0 HA VAL A 44 1.745 3.324 4.380 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.895 4.737 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.794 2.831 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.096 2.316 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.193 2.056 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.909 4.814 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.742 4.151 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.437 5.753 5.839 1.00 0.00 H new ATOM 632 N LEU A 45 1.135 2.083 2.353 1.00 0.00 N ATOM 633 CA LEU A 45 0.988 1.371 1.095 1.00 0.00 C ATOM 634 C LEU A 45 -0.121 0.326 1.232 1.00 0.00 C ATOM 635 O LEU A 45 0.088 -0.734 1.819 1.00 0.00 O ATOM 636 CB LEU A 45 2.331 0.787 0.650 1.00 0.00 C ATOM 637 CG LEU A 45 2.283 -0.174 -0.540 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.368 0.364 -1.643 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.691 -0.474 -1.059 1.00 0.00 C ATOM 0 H LEU A 45 1.432 1.504 3.139 1.00 0.00 H new ATOM 0 HA LEU A 45 0.686 2.056 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.998 1.612 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.776 0.264 1.497 1.00 0.00 H new ATOM 0 HG LEU A 45 1.857 -1.118 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.352 -0.338 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.358 0.485 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.742 1.328 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.629 -1.159 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.167 0.454 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.282 -0.930 -0.265 1.00 0.00 H new ATOM 651 N SER A 46 -1.278 0.662 0.679 1.00 0.00 N ATOM 652 CA SER A 46 -2.420 -0.233 0.732 1.00 0.00 C ATOM 653 C SER A 46 -2.505 -1.051 -0.558 1.00 0.00 C ATOM 654 O SER A 46 -2.798 -0.508 -1.623 1.00 0.00 O ATOM 655 CB SER A 46 -3.720 0.544 0.955 1.00 0.00 C ATOM 656 OG SER A 46 -3.565 1.574 1.927 1.00 0.00 O ATOM 0 H SER A 46 -1.448 1.542 0.192 1.00 0.00 H new ATOM 0 HA SER A 46 -2.284 -0.910 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.047 0.982 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.503 -0.143 1.276 1.00 0.00 H new ATOM 0 HG SER A 46 -3.712 1.204 2.822 1.00 0.00 H new ATOM 662 N VAL A 47 -2.244 -2.342 -0.421 1.00 0.00 N ATOM 663 CA VAL A 47 -2.287 -3.240 -1.563 1.00 0.00 C ATOM 664 C VAL A 47 -3.436 -4.234 -1.382 1.00 0.00 C ATOM 665 O VAL A 47 -3.552 -4.870 -0.335 1.00 0.00 O ATOM 666 CB VAL A 47 -0.929 -3.921 -1.745 1.00 0.00 C ATOM 667 CG1 VAL A 47 -0.995 -4.993 -2.835 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.163 -2.894 -2.051 1.00 0.00 C ATOM 0 H VAL A 47 -2.002 -2.788 0.464 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.481 -2.683 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.672 -4.413 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.017 -5.461 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.730 -5.748 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.285 -4.534 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.118 -3.405 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.086 -2.361 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.236 -2.184 -1.227 1.00 0.00 H new ATOM 678 N LEU A 48 -4.256 -4.338 -2.418 1.00 0.00 N ATOM 679 CA LEU A 48 -5.391 -5.244 -2.386 1.00 0.00 C ATOM 680 C LEU A 48 -4.916 -6.662 -2.711 1.00 0.00 C ATOM 681 O LEU A 48 -4.318 -6.894 -3.761 1.00 0.00 O ATOM 682 CB LEU A 48 -6.504 -4.742 -3.308 1.00 0.00 C ATOM 683 CG LEU A 48 -7.922 -5.198 -2.958 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.316 -4.735 -1.555 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.924 -4.735 -4.018 1.00 0.00 C ATOM 0 H LEU A 48 -4.157 -3.810 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.826 -5.274 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.484 -3.652 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.280 -5.066 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.939 -6.288 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.328 -5.072 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.624 -5.155 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.277 -3.647 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.924 -5.072 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.912 -3.647 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.651 -5.156 -4.986 1.00 0.00 H new ATOM 697 N SER A 49 -5.199 -7.572 -1.792 1.00 0.00 N ATOM 698 CA SER A 49 -4.808 -8.961 -1.968 1.00 0.00 C ATOM 699 C SER A 49 -5.910 -9.725 -2.705 1.00 0.00 C ATOM 700 O SER A 49 -7.057 -9.284 -2.744 1.00 0.00 O ATOM 701 CB SER A 49 -4.512 -9.624 -0.622 1.00 0.00 C ATOM 702 OG SER A 49 -5.628 -10.364 -0.134 1.00 0.00 O ATOM 0 H SER A 49 -5.695 -7.375 -0.922 1.00 0.00 H new ATOM 0 HA SER A 49 -3.896 -8.987 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.654 -10.288 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.237 -8.860 0.106 1.00 0.00 H new ATOM 0 HG SER A 49 -5.459 -10.639 0.791 1.00 0.00 H new ATOM 708 N ASP A 50 -5.522 -10.858 -3.272 1.00 0.00 N ATOM 709 CA ASP A 50 -6.462 -11.687 -4.007 1.00 0.00 C ATOM 710 C ASP A 50 -7.059 -12.733 -3.062 1.00 0.00 C ATOM 711 O ASP A 50 -7.513 -13.787 -3.504 1.00 0.00 O ATOM 712 CB ASP A 50 -5.767 -12.427 -5.151 1.00 0.00 C ATOM 713 CG ASP A 50 -5.043 -13.713 -4.746 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.589 -13.765 -3.583 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.961 -14.614 -5.608 1.00 0.00 O ATOM 0 H ASP A 50 -4.570 -11.221 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.236 -11.038 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.510 -12.670 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.046 -11.753 -5.615 1.00 0.00 H new ATOM 720 N GLN A 51 -7.038 -12.404 -1.779 1.00 0.00 N ATOM 721 CA GLN A 51 -7.571 -13.301 -0.768 1.00 0.00 C ATOM 722 C GLN A 51 -8.802 -12.681 -0.104 1.00 0.00 C ATOM 723 O GLN A 51 -8.687 -11.709 0.641 1.00 0.00 O ATOM 724 CB GLN A 51 -6.505 -13.652 0.272 1.00 0.00 C ATOM 725 CG GLN A 51 -5.490 -14.645 -0.296 1.00 0.00 C ATOM 726 CD GLN A 51 -5.210 -15.773 0.699 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.006 -16.677 0.891 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.038 -15.670 1.318 1.00 0.00 N ATOM 0 H GLN A 51 -6.660 -11.529 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.873 -14.228 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.992 -12.745 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.980 -14.078 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.868 -15.064 -1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.561 -14.126 -0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.419 -14.887 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.758 -16.374 2.001 1.00 0.00 H new ATOM 737 N PRO A 52 -9.983 -13.285 -0.404 1.00 0.00 N ATOM 738 CA PRO A 52 -11.234 -12.802 0.155 1.00 0.00 C ATOM 739 C PRO A 52 -11.366 -13.200 1.627 1.00 0.00 C ATOM 740 O PRO A 52 -10.539 -13.945 2.149 1.00 0.00 O ATOM 741 CB PRO A 52 -12.317 -13.408 -0.723 1.00 0.00 C ATOM 742 CG PRO A 52 -11.663 -14.571 -1.450 1.00 0.00 C ATOM 743 CD PRO A 52 -10.158 -14.439 -1.282 1.00 0.00 C ATOM 0 HA PRO A 52 -11.303 -11.714 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.161 -13.748 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.703 -12.673 -1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.011 -15.520 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.932 -14.560 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.728 -15.339 -0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.664 -14.285 -2.242 1.00 0.00 H new ATOM 751 N LYS A 53 -12.413 -12.684 2.254 1.00 0.00 N ATOM 752 CA LYS A 53 -12.664 -12.976 3.655 1.00 0.00 C ATOM 753 C LYS A 53 -13.625 -14.162 3.760 1.00 0.00 C ATOM 754 O LYS A 53 -13.416 -15.065 4.570 1.00 0.00 O ATOM 755 CB LYS A 53 -13.153 -11.723 4.384 1.00 0.00 C ATOM 756 CG LYS A 53 -12.083 -10.629 4.373 1.00 0.00 C ATOM 757 CD LYS A 53 -12.696 -9.258 4.665 1.00 0.00 C ATOM 758 CE LYS A 53 -12.577 -8.909 6.149 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.279 -8.254 6.425 1.00 0.00 N ATOM 0 H LYS A 53 -13.097 -12.066 1.818 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.740 -13.268 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.061 -11.353 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.411 -11.974 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.319 -10.855 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.587 -10.610 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.194 -8.497 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.745 -9.255 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.394 -8.248 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.670 -9.814 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.866 -8.654 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.632 -8.415 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.426 -7.232 6.551 1.00 0.00 H new ATOM 773 N ALA A 54 -14.657 -14.123 2.930 1.00 0.00 N ATOM 774 CA ALA A 54 -15.650 -15.184 2.920 1.00 0.00 C ATOM 775 C ALA A 54 -15.587 -15.922 1.581 1.00 0.00 C ATOM 776 O ALA A 54 -15.935 -17.099 1.501 1.00 0.00 O ATOM 777 CB ALA A 54 -17.033 -14.591 3.195 1.00 0.00 C ATOM 0 H ALA A 54 -14.827 -13.373 2.260 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.445 -15.910 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.778 -15.387 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.033 -14.103 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.275 -13.860 2.424 1.00 0.00 H new ATOM 783 N GLY A 55 -15.142 -15.199 0.564 1.00 0.00 N ATOM 784 CA GLY A 55 -15.030 -15.771 -0.767 1.00 0.00 C ATOM 785 C GLY A 55 -15.771 -14.914 -1.796 1.00 0.00 C ATOM 786 O GLY A 55 -15.530 -13.712 -1.898 1.00 0.00 O ATOM 0 H GLY A 55 -14.855 -14.223 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.979 -15.852 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.439 -16.782 -0.768 1.00 0.00 H new ATOM 790 N PRO A 56 -16.682 -15.584 -2.553 1.00 0.00 N ATOM 791 CA PRO A 56 -17.459 -14.897 -3.570 1.00 0.00 C ATOM 792 C PRO A 56 -18.561 -14.045 -2.936 1.00 0.00 C ATOM 793 O PRO A 56 -19.499 -14.577 -2.344 1.00 0.00 O ATOM 794 CB PRO A 56 -18.002 -16.001 -4.462 1.00 0.00 C ATOM 795 CG PRO A 56 -17.897 -17.282 -3.651 1.00 0.00 C ATOM 796 CD PRO A 56 -16.994 -17.007 -2.460 1.00 0.00 C ATOM 0 HA PRO A 56 -16.863 -14.191 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.036 -15.802 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.427 -16.075 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.883 -17.604 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.489 -18.088 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.495 -17.242 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.090 -17.614 -2.500 1.00 0.00 H new ATOM 804 N GLY A 57 -18.410 -12.737 -3.080 1.00 0.00 N ATOM 805 CA GLY A 57 -19.381 -11.806 -2.529 1.00 0.00 C ATOM 806 C GLY A 57 -18.812 -11.080 -1.308 1.00 0.00 C ATOM 807 O GLY A 57 -19.499 -10.272 -0.686 1.00 0.00 O ATOM 0 H GLY A 57 -17.630 -12.299 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.665 -11.079 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.287 -12.343 -2.248 1.00 0.00 H new ATOM 811 N SER A 58 -17.562 -11.395 -1.002 1.00 0.00 N ATOM 812 CA SER A 58 -16.893 -10.782 0.133 1.00 0.00 C ATOM 813 C SER A 58 -15.738 -9.903 -0.351 1.00 0.00 C ATOM 814 O SER A 58 -15.182 -10.138 -1.423 1.00 0.00 O ATOM 815 CB SER A 58 -16.379 -11.844 1.108 1.00 0.00 C ATOM 816 OG SER A 58 -15.252 -12.545 0.588 1.00 0.00 O ATOM 0 H SER A 58 -16.995 -12.066 -1.520 1.00 0.00 H new ATOM 0 HA SER A 58 -17.616 -10.161 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.107 -11.369 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.178 -12.553 1.326 1.00 0.00 H new ATOM 0 HG SER A 58 -15.451 -12.858 -0.319 1.00 0.00 H new ATOM 822 N PRO A 59 -15.403 -8.883 0.483 1.00 0.00 N ATOM 823 CA PRO A 59 -14.324 -7.968 0.151 1.00 0.00 C ATOM 824 C PRO A 59 -12.960 -8.630 0.356 1.00 0.00 C ATOM 825 O PRO A 59 -12.794 -9.450 1.258 1.00 0.00 O ATOM 826 CB PRO A 59 -14.541 -6.762 1.050 1.00 0.00 C ATOM 827 CG PRO A 59 -15.448 -7.237 2.173 1.00 0.00 C ATOM 828 CD PRO A 59 -16.039 -8.575 1.761 1.00 0.00 C ATOM 0 HA PRO A 59 -14.331 -7.672 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.594 -6.392 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.999 -5.941 0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.885 -7.338 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.240 -6.511 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.830 -9.346 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.123 -8.515 1.660 1.00 0.00 H new ATOM 836 N LEU A 60 -12.019 -8.249 -0.495 1.00 0.00 N ATOM 837 CA LEU A 60 -10.675 -8.796 -0.419 1.00 0.00 C ATOM 838 C LEU A 60 -9.886 -8.048 0.658 1.00 0.00 C ATOM 839 O LEU A 60 -9.814 -6.820 0.640 1.00 0.00 O ATOM 840 CB LEU A 60 -10.009 -8.775 -1.796 1.00 0.00 C ATOM 841 CG LEU A 60 -10.633 -9.684 -2.857 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.048 -9.393 -4.240 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.487 -11.157 -2.471 1.00 0.00 C ATOM 0 H LEU A 60 -12.161 -7.568 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.706 -9.844 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.024 -7.751 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.963 -9.055 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.700 -9.469 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.508 -10.052 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.247 -8.355 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.972 -9.564 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.939 -11.782 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.430 -11.405 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.988 -11.335 -1.520 1.00 0.00 H new ATOM 855 N ARG A 61 -9.313 -8.819 1.570 1.00 0.00 N ATOM 856 CA ARG A 61 -8.532 -8.245 2.652 1.00 0.00 C ATOM 857 C ARG A 61 -7.563 -7.194 2.108 1.00 0.00 C ATOM 858 O ARG A 61 -7.105 -7.297 0.970 1.00 0.00 O ATOM 859 CB ARG A 61 -7.740 -9.325 3.392 1.00 0.00 C ATOM 860 CG ARG A 61 -8.474 -9.773 4.657 1.00 0.00 C ATOM 861 CD ARG A 61 -7.923 -11.106 5.168 1.00 0.00 C ATOM 862 NE ARG A 61 -7.203 -10.900 6.445 1.00 0.00 N ATOM 863 CZ ARG A 61 -5.925 -10.508 6.532 1.00 0.00 C ATOM 864 NH1 ARG A 61 -5.218 -10.276 5.418 1.00 0.00 N ATOM 865 NH2 ARG A 61 -5.354 -10.347 7.734 1.00 0.00 N ATOM 0 H ARG A 61 -9.374 -9.837 1.582 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.226 -7.777 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.584 -10.181 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.754 -8.942 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.370 -9.012 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.539 -9.872 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.738 -11.815 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.250 -11.539 4.427 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.712 -11.067 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.653 -10.398 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.245 -9.978 5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.893 -10.523 8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.381 -10.049 7.800 1.00 0.00 H new ATOM 879 N VAL A 62 -7.278 -6.207 2.945 1.00 0.00 N ATOM 880 CA VAL A 62 -6.372 -5.138 2.561 1.00 0.00 C ATOM 881 C VAL A 62 -5.089 -5.243 3.388 1.00 0.00 C ATOM 882 O VAL A 62 -5.110 -5.735 4.515 1.00 0.00 O ATOM 883 CB VAL A 62 -7.068 -3.784 2.707 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.124 -2.639 2.334 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.349 -3.733 1.872 1.00 0.00 C ATOM 0 H VAL A 62 -7.659 -6.125 3.888 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.092 -5.232 1.512 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.346 -3.661 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.644 -1.688 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.254 -2.657 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.801 -2.756 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.824 -2.760 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.105 -3.889 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.032 -4.514 2.205 1.00 0.00 H new ATOM 895 N THR A 63 -4.001 -4.773 2.795 1.00 0.00 N ATOM 896 CA THR A 63 -2.711 -4.807 3.462 1.00 0.00 C ATOM 897 C THR A 63 -2.057 -3.424 3.431 1.00 0.00 C ATOM 898 O THR A 63 -1.786 -2.886 2.358 1.00 0.00 O ATOM 899 CB THR A 63 -1.864 -5.895 2.798 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.288 -7.099 3.430 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.381 -5.786 3.160 1.00 0.00 C ATOM 0 H THR A 63 -3.987 -4.367 1.860 1.00 0.00 H new ATOM 0 HA THR A 63 -2.818 -5.057 4.518 1.00 0.00 H new ATOM 0 HB THR A 63 -1.978 -5.834 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.790 -7.857 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.174 -6.581 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.002 -4.818 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.262 -5.881 4.239 1.00 0.00 H new ATOM 909 N HIS A 64 -1.823 -2.889 4.620 1.00 0.00 N ATOM 910 CA HIS A 64 -1.206 -1.579 4.742 1.00 0.00 C ATOM 911 C HIS A 64 0.279 -1.740 5.075 1.00 0.00 C ATOM 912 O HIS A 64 0.632 -2.095 6.198 1.00 0.00 O ATOM 913 CB HIS A 64 -1.953 -0.720 5.764 1.00 0.00 C ATOM 914 CG HIS A 64 -3.427 -0.567 5.477 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.952 0.527 4.811 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.482 -1.380 5.772 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.264 0.368 4.715 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.590 -0.814 5.312 1.00 0.00 N ATOM 0 H HIS A 64 -2.049 -3.338 5.507 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.274 -1.051 3.791 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.830 -1.161 6.753 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.495 0.269 5.796 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.419 1.321 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.425 -2.325 6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.954 1.054 4.246 1.00 0.00 H new ATOM 926 N ILE A 65 1.109 -1.470 4.078 1.00 0.00 N ATOM 927 CA ILE A 65 2.547 -1.581 4.250 1.00 0.00 C ATOM 928 C ILE A 65 3.117 -0.214 4.633 1.00 0.00 C ATOM 929 O ILE A 65 3.340 0.634 3.770 1.00 0.00 O ATOM 930 CB ILE A 65 3.192 -2.188 3.003 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.743 -3.637 2.804 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.715 -2.062 3.056 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.866 -3.774 1.557 1.00 0.00 C ATOM 0 H ILE A 65 0.812 -1.174 3.148 1.00 0.00 H new ATOM 0 HA ILE A 65 2.781 -2.265 5.066 1.00 0.00 H new ATOM 0 HB ILE A 65 2.853 -1.623 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.616 -4.282 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.190 -3.974 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.148 -2.502 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.991 -1.009 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.093 -2.585 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.561 -4.814 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.981 -3.146 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.430 -3.460 0.679 1.00 0.00 H new ATOM 945 N LYS A 66 3.336 -0.041 5.929 1.00 0.00 N ATOM 946 CA LYS A 66 3.875 1.209 6.437 1.00 0.00 C ATOM 947 C LYS A 66 5.260 1.445 5.831 1.00 0.00 C ATOM 948 O LYS A 66 6.090 0.537 5.796 1.00 0.00 O ATOM 949 CB LYS A 66 3.864 1.215 7.967 1.00 0.00 C ATOM 950 CG LYS A 66 2.513 1.691 8.503 1.00 0.00 C ATOM 951 CD LYS A 66 2.295 1.216 9.941 1.00 0.00 C ATOM 952 CE LYS A 66 1.471 2.231 10.735 1.00 0.00 C ATOM 953 NZ LYS A 66 0.682 1.550 11.786 1.00 0.00 N ATOM 0 H LYS A 66 3.150 -0.746 6.642 1.00 0.00 H new ATOM 0 HA LYS A 66 3.247 2.046 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.075 0.213 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.656 1.866 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.466 2.779 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.712 1.314 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.785 0.253 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.258 1.064 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.132 2.969 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.804 2.771 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.129 2.254 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.038 0.863 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.325 1.055 12.436 1.00 0.00 H new ATOM 967 N VAL A 67 5.468 2.669 5.368 1.00 0.00 N ATOM 968 CA VAL A 67 6.738 3.036 4.766 1.00 0.00 C ATOM 969 C VAL A 67 7.586 3.790 5.792 1.00 0.00 C ATOM 970 O VAL A 67 7.253 4.911 6.175 1.00 0.00 O ATOM 971 CB VAL A 67 6.497 3.838 3.485 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.814 4.370 2.916 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.750 3.000 2.446 1.00 0.00 C ATOM 0 H VAL A 67 4.778 3.419 5.398 1.00 0.00 H new ATOM 0 HA VAL A 67 7.295 2.145 4.477 1.00 0.00 H new ATOM 0 HB VAL A 67 5.871 4.694 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.615 4.936 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.292 5.019 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.475 3.534 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.592 3.593 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.339 2.117 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.786 2.692 2.852 1.00 0.00 H new ATOM 983 N MET A 68 8.665 3.145 6.210 1.00 0.00 N ATOM 984 CA MET A 68 9.563 3.740 7.185 1.00 0.00 C ATOM 985 C MET A 68 10.432 4.822 6.541 1.00 0.00 C ATOM 986 O MET A 68 11.358 4.515 5.792 1.00 0.00 O ATOM 987 CB MET A 68 10.459 2.654 7.784 1.00 0.00 C ATOM 988 CG MET A 68 9.859 2.101 9.078 1.00 0.00 C ATOM 989 SD MET A 68 8.649 0.843 8.702 1.00 0.00 S ATOM 990 CE MET A 68 9.674 -0.614 8.810 1.00 0.00 C ATOM 0 H MET A 68 8.938 2.215 5.891 1.00 0.00 H new ATOM 0 HA MET A 68 8.963 4.201 7.969 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.588 1.846 7.064 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.449 3.064 7.984 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.647 1.683 9.704 1.00 0.00 H new ATOM 0 HG3 MET A 68 9.394 2.907 9.646 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.206 -1.430 8.258 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.654 -0.402 8.383 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.789 -0.902 9.855 1.00 0.00 H new ATOM 1000 N CYS A 69 10.103 6.066 6.856 1.00 0.00 N ATOM 1001 CA CYS A 69 10.842 7.195 6.317 1.00 0.00 C ATOM 1002 C CYS A 69 11.925 7.585 7.325 1.00 0.00 C ATOM 1003 O CYS A 69 11.674 8.369 8.239 1.00 0.00 O ATOM 1004 CB CYS A 69 9.919 8.370 5.987 1.00 0.00 C ATOM 1005 SG CYS A 69 8.905 8.798 7.449 1.00 0.00 S ATOM 0 H CYS A 69 9.334 6.317 7.478 1.00 0.00 H new ATOM 0 HA CYS A 69 11.310 6.910 5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.510 9.232 5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.272 8.111 5.149 1.00 0.00 H new ATOM 0 HG CYS A 69 9.620 8.667 8.527 1.00 0.00 H new ATOM 1011 N GLU A 70 13.107 7.020 7.124 1.00 0.00 N ATOM 1012 CA GLU A 70 14.229 7.299 8.004 1.00 0.00 C ATOM 1013 C GLU A 70 15.439 7.763 7.190 1.00 0.00 C ATOM 1014 O GLU A 70 15.736 7.201 6.137 1.00 0.00 O ATOM 1015 CB GLU A 70 14.576 6.075 8.854 1.00 0.00 C ATOM 1016 CG GLU A 70 13.514 5.834 9.928 1.00 0.00 C ATOM 1017 CD GLU A 70 14.129 5.880 11.328 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.606 4.815 11.774 1.00 0.00 O ATOM 1019 OE2 GLU A 70 14.107 6.981 11.921 1.00 0.00 O ATOM 0 H GLU A 70 13.312 6.370 6.365 1.00 0.00 H new ATOM 0 HA GLU A 70 13.943 8.102 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.658 5.196 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.548 6.219 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.731 6.588 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.042 4.865 9.766 1.00 0.00 H new ATOM 1026 N GLY A 71 16.104 8.784 7.709 1.00 0.00 N ATOM 1027 CA GLY A 71 17.275 9.330 7.044 1.00 0.00 C ATOM 1028 C GLY A 71 16.976 9.643 5.577 1.00 0.00 C ATOM 1029 O GLY A 71 17.700 9.204 4.685 1.00 0.00 O ATOM 0 H GLY A 71 15.854 9.248 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.598 10.237 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.098 8.619 7.107 1.00 0.00 H new ATOM 1033 N GLY A 72 15.908 10.400 5.372 1.00 0.00 N ATOM 1034 CA GLY A 72 15.504 10.777 4.028 1.00 0.00 C ATOM 1035 C GLY A 72 15.433 9.553 3.113 1.00 0.00 C ATOM 1036 O GLY A 72 15.625 9.666 1.904 1.00 0.00 O ATOM 0 H GLY A 72 15.310 10.763 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.531 11.268 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.212 11.499 3.621 1.00 0.00 H new ATOM 1040 N ARG A 73 15.158 8.411 3.726 1.00 0.00 N ATOM 1041 CA ARG A 73 15.060 7.167 2.982 1.00 0.00 C ATOM 1042 C ARG A 73 13.795 6.406 3.384 1.00 0.00 C ATOM 1043 O ARG A 73 13.354 6.490 4.529 1.00 0.00 O ATOM 1044 CB ARG A 73 16.281 6.279 3.229 1.00 0.00 C ATOM 1045 CG ARG A 73 17.522 6.848 2.538 1.00 0.00 C ATOM 1046 CD ARG A 73 18.801 6.374 3.231 1.00 0.00 C ATOM 1047 NE ARG A 73 19.902 6.271 2.246 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.523 7.326 1.701 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.157 8.569 2.041 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.511 7.137 0.816 1.00 0.00 N ATOM 0 H ARG A 73 15.000 8.321 4.730 1.00 0.00 H new ATOM 0 HA ARG A 73 15.016 7.418 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.463 6.195 4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.084 5.273 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.535 6.539 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.481 7.937 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.075 7.071 4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.632 5.406 3.702 1.00 0.00 H new ATOM 0 HE ARG A 73 20.207 5.339 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.405 8.713 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.630 9.372 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.790 6.191 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.984 7.940 0.401 1.00 0.00 H new ATOM 1064 N TYR A 74 13.248 5.680 2.420 1.00 0.00 N ATOM 1065 CA TYR A 74 12.042 4.905 2.659 1.00 0.00 C ATOM 1066 C TYR A 74 12.349 3.406 2.679 1.00 0.00 C ATOM 1067 O TYR A 74 13.181 2.929 1.908 1.00 0.00 O ATOM 1068 CB TYR A 74 11.107 5.207 1.487 1.00 0.00 C ATOM 1069 CG TYR A 74 10.681 6.673 1.393 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.176 7.318 2.504 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.800 7.351 0.197 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.775 8.698 2.415 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.399 8.732 0.108 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.906 9.337 1.222 1.00 0.00 C ATOM 1075 OH TYR A 74 9.527 10.640 1.138 1.00 0.00 O ATOM 0 H TYR A 74 13.618 5.612 1.472 1.00 0.00 H new ATOM 0 HA TYR A 74 11.602 5.166 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.602 4.923 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.216 4.585 1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.082 6.788 3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.194 6.846 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.379 9.214 3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.488 9.274 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 74 9.678 10.967 0.226 1.00 0.00 H new ATOM 1085 N THR A 75 11.660 2.705 3.567 1.00 0.00 N ATOM 1086 CA THR A 75 11.849 1.270 3.697 1.00 0.00 C ATOM 1087 C THR A 75 10.601 0.621 4.298 1.00 0.00 C ATOM 1088 O THR A 75 9.880 1.250 5.070 1.00 0.00 O ATOM 1089 CB THR A 75 13.115 1.032 4.522 1.00 0.00 C ATOM 1090 OG1 THR A 75 13.035 -0.342 4.892 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.093 1.780 5.857 1.00 0.00 C ATOM 0 H THR A 75 10.970 3.104 4.204 1.00 0.00 H new ATOM 0 HA THR A 75 11.986 0.799 2.723 1.00 0.00 H new ATOM 0 HB THR A 75 13.987 1.342 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.939 -0.710 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.014 1.577 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.009 2.851 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.240 1.446 6.447 1.00 0.00 H new ATOM 1099 N VAL A 76 10.384 -0.631 3.921 1.00 0.00 N ATOM 1100 CA VAL A 76 9.236 -1.373 4.413 1.00 0.00 C ATOM 1101 C VAL A 76 9.647 -2.183 5.644 1.00 0.00 C ATOM 1102 O VAL A 76 8.862 -2.978 6.159 1.00 0.00 O ATOM 1103 CB VAL A 76 8.653 -2.238 3.294 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.508 -1.436 1.999 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.503 -3.491 3.071 1.00 0.00 C ATOM 0 H VAL A 76 10.984 -1.150 3.280 1.00 0.00 H new ATOM 0 HA VAL A 76 8.444 -0.691 4.723 1.00 0.00 H new ATOM 0 HB VAL A 76 7.658 -2.558 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.091 -2.075 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.843 -0.589 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.486 -1.072 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.067 -4.089 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.516 -3.199 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.532 -4.079 3.988 1.00 0.00 H new ATOM 1115 N GLY A 77 10.877 -1.955 6.079 1.00 0.00 N ATOM 1116 CA GLY A 77 11.402 -2.655 7.239 1.00 0.00 C ATOM 1117 C GLY A 77 12.560 -3.575 6.847 1.00 0.00 C ATOM 1118 O GLY A 77 12.917 -4.483 7.597 1.00 0.00 O ATOM 0 H GLY A 77 11.525 -1.295 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.742 -1.933 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.609 -3.241 7.704 1.00 0.00 H new ATOM 1122 N GLY A 78 13.115 -3.308 5.674 1.00 0.00 N ATOM 1123 CA GLY A 78 14.225 -4.101 5.173 1.00 0.00 C ATOM 1124 C GLY A 78 15.490 -3.251 5.041 1.00 0.00 C ATOM 1125 O GLY A 78 15.461 -2.047 5.288 1.00 0.00 O ATOM 0 H GLY A 78 12.817 -2.553 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.413 -4.937 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.965 -4.526 4.203 1.00 0.00 H new ATOM 1129 N LEU A 79 16.570 -3.912 4.652 1.00 0.00 N ATOM 1130 CA LEU A 79 17.843 -3.232 4.484 1.00 0.00 C ATOM 1131 C LEU A 79 17.765 -2.306 3.269 1.00 0.00 C ATOM 1132 O LEU A 79 18.399 -1.252 3.245 1.00 0.00 O ATOM 1133 CB LEU A 79 18.987 -4.247 4.412 1.00 0.00 C ATOM 1134 CG LEU A 79 19.819 -4.411 5.686 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.723 -5.641 5.595 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.611 -3.138 5.991 1.00 0.00 C ATOM 0 H LEU A 79 16.590 -4.911 4.448 1.00 0.00 H new ATOM 0 HA LEU A 79 18.058 -2.605 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.569 -5.218 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.654 -3.956 3.601 1.00 0.00 H new ATOM 0 HG LEU A 79 19.138 -4.574 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.303 -5.735 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.111 -6.533 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.400 -5.533 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.194 -3.281 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.283 -2.920 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 19.922 -2.305 6.129 1.00 0.00 H new ATOM 1148 N GLU A 80 16.984 -2.734 2.288 1.00 0.00 N ATOM 1149 CA GLU A 80 16.815 -1.956 1.072 1.00 0.00 C ATOM 1150 C GLU A 80 16.033 -0.674 1.366 1.00 0.00 C ATOM 1151 O GLU A 80 15.036 -0.703 2.087 1.00 0.00 O ATOM 1152 CB GLU A 80 16.125 -2.782 -0.016 1.00 0.00 C ATOM 1153 CG GLU A 80 16.956 -4.014 -0.378 1.00 0.00 C ATOM 1154 CD GLU A 80 16.144 -4.992 -1.229 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.927 -4.667 -2.416 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.757 -6.043 -0.673 1.00 0.00 O ATOM 0 H GLU A 80 16.461 -3.610 2.310 1.00 0.00 H new ATOM 0 HA GLU A 80 17.802 -1.679 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.139 -3.093 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.974 -2.167 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.849 -3.707 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.292 -4.511 0.532 1.00 0.00 H new ATOM 1163 N THR A 81 16.514 0.419 0.794 1.00 0.00 N ATOM 1164 CA THR A 81 15.873 1.709 0.986 1.00 0.00 C ATOM 1165 C THR A 81 15.612 2.381 -0.363 1.00 0.00 C ATOM 1166 O THR A 81 15.908 1.811 -1.412 1.00 0.00 O ATOM 1167 CB THR A 81 16.754 2.541 1.919 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.084 2.208 1.530 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.665 2.079 3.375 1.00 0.00 C ATOM 0 H THR A 81 17.341 0.438 0.197 1.00 0.00 H new ATOM 0 HA THR A 81 14.894 1.598 1.453 1.00 0.00 H new ATOM 0 HB THR A 81 16.464 3.590 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.721 2.705 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.309 2.703 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.635 2.164 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.987 1.040 3.447 1.00 0.00 H new ATOM 1177 N PHE A 82 15.061 3.584 -0.293 1.00 0.00 N ATOM 1178 CA PHE A 82 14.757 4.340 -1.496 1.00 0.00 C ATOM 1179 C PHE A 82 14.721 5.841 -1.206 1.00 0.00 C ATOM 1180 O PHE A 82 14.661 6.252 -0.048 1.00 0.00 O ATOM 1181 CB PHE A 82 13.374 3.890 -1.969 1.00 0.00 C ATOM 1182 CG PHE A 82 13.191 2.371 -2.005 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.538 1.671 -3.118 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.682 1.722 -0.924 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.368 0.261 -3.151 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.513 0.313 -0.957 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.859 -0.388 -2.070 1.00 0.00 C ATOM 0 H PHE A 82 14.817 4.054 0.579 1.00 0.00 H new ATOM 0 HA PHE A 82 15.523 4.162 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.619 4.321 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.195 4.291 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.943 2.187 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.406 2.278 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.643 -0.295 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.110 -0.203 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.729 -1.460 -2.095 1.00 0.00 H new ATOM 1197 N ASP A 83 14.759 6.620 -2.277 1.00 0.00 N ATOM 1198 CA ASP A 83 14.731 8.067 -2.152 1.00 0.00 C ATOM 1199 C ASP A 83 13.304 8.568 -2.385 1.00 0.00 C ATOM 1200 O ASP A 83 12.832 9.460 -1.681 1.00 0.00 O ATOM 1201 CB ASP A 83 15.639 8.728 -3.191 1.00 0.00 C ATOM 1202 CG ASP A 83 16.304 10.028 -2.735 1.00 0.00 C ATOM 1203 OD1 ASP A 83 16.554 10.141 -1.516 1.00 0.00 O ATOM 1204 OD2 ASP A 83 16.547 10.880 -3.617 1.00 0.00 O ATOM 0 H ASP A 83 14.809 6.276 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 83 15.080 8.325 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.417 8.019 -3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.052 8.932 -4.087 1.00 0.00 H new ATOM 1209 N SER A 84 12.656 7.971 -3.375 1.00 0.00 N ATOM 1210 CA SER A 84 11.292 8.345 -3.709 1.00 0.00 C ATOM 1211 C SER A 84 10.387 7.113 -3.669 1.00 0.00 C ATOM 1212 O SER A 84 10.850 5.991 -3.871 1.00 0.00 O ATOM 1213 CB SER A 84 11.225 9.009 -5.086 1.00 0.00 C ATOM 1214 OG SER A 84 12.092 8.379 -6.025 1.00 0.00 O ATOM 0 H SER A 84 13.050 7.231 -3.956 1.00 0.00 H new ATOM 0 HA SER A 84 10.944 9.067 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.201 8.972 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.493 10.062 -4.994 1.00 0.00 H new ATOM 0 HG SER A 84 12.019 8.831 -6.892 1.00 0.00 H new ATOM 1220 N LEU A 85 9.112 7.363 -3.408 1.00 0.00 N ATOM 1221 CA LEU A 85 8.138 6.287 -3.339 1.00 0.00 C ATOM 1222 C LEU A 85 8.122 5.533 -4.670 1.00 0.00 C ATOM 1223 O LEU A 85 7.876 4.328 -4.703 1.00 0.00 O ATOM 1224 CB LEU A 85 6.769 6.830 -2.923 1.00 0.00 C ATOM 1225 CG LEU A 85 6.434 6.734 -1.433 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.121 5.290 -1.033 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.552 7.335 -0.580 1.00 0.00 C ATOM 0 H LEU A 85 8.731 8.295 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 85 8.418 5.568 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.709 7.877 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.002 6.294 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 85 5.535 7.322 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.886 5.250 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.267 4.930 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.987 4.660 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.289 7.254 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.481 6.795 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.685 8.385 -0.841 1.00 0.00 H new ATOM 1239 N THR A 86 8.387 6.274 -5.736 1.00 0.00 N ATOM 1240 CA THR A 86 8.406 5.691 -7.067 1.00 0.00 C ATOM 1241 C THR A 86 9.456 4.581 -7.148 1.00 0.00 C ATOM 1242 O THR A 86 9.148 3.457 -7.542 1.00 0.00 O ATOM 1243 CB THR A 86 8.634 6.819 -8.075 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.592 7.750 -7.796 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.367 6.380 -9.516 1.00 0.00 C ATOM 0 H THR A 86 8.590 7.273 -5.705 1.00 0.00 H new ATOM 0 HA THR A 86 7.455 5.213 -7.303 1.00 0.00 H new ATOM 0 HB THR A 86 9.659 7.179 -7.990 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.725 7.298 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.544 7.218 -10.190 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.035 5.558 -9.776 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.332 6.050 -9.610 1.00 0.00 H new ATOM 1253 N ASP A 87 10.675 4.936 -6.768 1.00 0.00 N ATOM 1254 CA ASP A 87 11.773 3.984 -6.793 1.00 0.00 C ATOM 1255 C ASP A 87 11.455 2.821 -5.851 1.00 0.00 C ATOM 1256 O ASP A 87 12.091 1.771 -5.920 1.00 0.00 O ATOM 1257 CB ASP A 87 13.075 4.633 -6.321 1.00 0.00 C ATOM 1258 CG ASP A 87 14.066 4.979 -7.434 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.658 4.872 -8.611 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.210 5.342 -7.083 1.00 0.00 O ATOM 0 H ASP A 87 10.926 5.869 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 87 11.895 3.636 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.832 5.545 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.564 3.960 -5.616 1.00 0.00 H new ATOM 1265 N LEU A 88 10.472 3.048 -4.993 1.00 0.00 N ATOM 1266 CA LEU A 88 10.062 2.032 -4.038 1.00 0.00 C ATOM 1267 C LEU A 88 8.947 1.183 -4.651 1.00 0.00 C ATOM 1268 O LEU A 88 9.047 -0.043 -4.693 1.00 0.00 O ATOM 1269 CB LEU A 88 9.683 2.674 -2.702 1.00 0.00 C ATOM 1270 CG LEU A 88 9.325 1.708 -1.571 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.759 2.266 -0.215 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.834 1.361 -1.598 1.00 0.00 C ATOM 0 H LEU A 88 9.947 3.921 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 88 10.891 1.359 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.515 3.296 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.835 3.338 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 88 9.875 0.780 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.493 1.560 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.838 2.421 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.256 3.216 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.606 0.673 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.246 2.271 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.587 0.891 -2.550 1.00 0.00 H new ATOM 1284 N VAL A 89 7.910 1.867 -5.111 1.00 0.00 N ATOM 1285 CA VAL A 89 6.777 1.191 -5.720 1.00 0.00 C ATOM 1286 C VAL A 89 7.246 0.446 -6.971 1.00 0.00 C ATOM 1287 O VAL A 89 6.883 -0.711 -7.181 1.00 0.00 O ATOM 1288 CB VAL A 89 5.659 2.196 -6.006 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.683 1.648 -7.048 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.927 2.583 -4.719 1.00 0.00 C ATOM 0 H VAL A 89 7.830 2.883 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 89 6.362 0.450 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 89 6.115 3.097 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.898 2.382 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.217 1.446 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.237 0.725 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.138 3.298 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.489 1.693 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.632 3.034 -4.021 1.00 0.00 H new ATOM 1300 N GLU A 90 8.045 1.138 -7.769 1.00 0.00 N ATOM 1301 CA GLU A 90 8.567 0.557 -8.994 1.00 0.00 C ATOM 1302 C GLU A 90 9.572 -0.550 -8.669 1.00 0.00 C ATOM 1303 O GLU A 90 10.024 -1.265 -9.563 1.00 0.00 O ATOM 1304 CB GLU A 90 9.199 1.629 -9.884 1.00 0.00 C ATOM 1305 CG GLU A 90 8.128 2.525 -10.508 1.00 0.00 C ATOM 1306 CD GLU A 90 8.296 2.603 -12.027 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.284 3.236 -12.457 1.00 0.00 O ATOM 1308 OE2 GLU A 90 7.432 2.027 -12.724 1.00 0.00 O ATOM 0 H GLU A 90 8.344 2.097 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 90 7.737 0.117 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.888 2.235 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.785 1.154 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.138 2.137 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.191 3.525 -10.080 1.00 0.00 H new ATOM 1315 N HIS A 91 9.893 -0.657 -7.388 1.00 0.00 N ATOM 1316 CA HIS A 91 10.837 -1.664 -6.935 1.00 0.00 C ATOM 1317 C HIS A 91 10.078 -2.916 -6.490 1.00 0.00 C ATOM 1318 O HIS A 91 10.380 -4.021 -6.936 1.00 0.00 O ATOM 1319 CB HIS A 91 11.748 -1.103 -5.841 1.00 0.00 C ATOM 1320 CG HIS A 91 12.449 -2.161 -5.023 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.058 -2.820 -3.895 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.705 -2.646 -5.343 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 13.022 -3.663 -3.546 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.044 -3.556 -4.443 1.00 0.00 N flip ATOM 0 H HIS A 91 9.516 -0.063 -6.650 1.00 0.00 H new ATOM 0 HA HIS A 91 11.491 -1.951 -7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.497 -0.459 -6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.155 -0.477 -5.175 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.174 -2.688 -3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.307 -2.335 -6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.001 -4.325 -2.693 1.00 0.00 H new ATOM 1332 N PHE A 92 9.106 -2.699 -5.615 1.00 0.00 N ATOM 1333 CA PHE A 92 8.301 -3.796 -5.104 1.00 0.00 C ATOM 1334 C PHE A 92 7.207 -4.183 -6.101 1.00 0.00 C ATOM 1335 O PHE A 92 6.509 -5.177 -5.907 1.00 0.00 O ATOM 1336 CB PHE A 92 7.646 -3.305 -3.812 1.00 0.00 C ATOM 1337 CG PHE A 92 8.603 -3.224 -2.621 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.935 -4.352 -1.937 1.00 0.00 C ATOM 1339 CD2 PHE A 92 9.122 -2.024 -2.246 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.823 -4.277 -0.832 1.00 0.00 C ATOM 1341 CE2 PHE A 92 10.011 -1.949 -1.141 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.343 -3.077 -0.457 1.00 0.00 C ATOM 0 H PHE A 92 8.858 -1.780 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 92 8.928 -4.671 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.216 -2.319 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.822 -3.972 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.523 -5.305 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.858 -1.128 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.086 -5.173 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.424 -0.996 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.019 -3.020 0.383 1.00 0.00 H new ATOM 1352 N LYS A 93 7.093 -3.379 -7.148 1.00 0.00 N ATOM 1353 CA LYS A 93 6.096 -3.625 -8.176 1.00 0.00 C ATOM 1354 C LYS A 93 6.401 -4.955 -8.868 1.00 0.00 C ATOM 1355 O LYS A 93 5.568 -5.482 -9.603 1.00 0.00 O ATOM 1356 CB LYS A 93 6.011 -2.437 -9.136 1.00 0.00 C ATOM 1357 CG LYS A 93 4.796 -1.562 -8.820 1.00 0.00 C ATOM 1358 CD LYS A 93 4.756 -0.331 -9.727 1.00 0.00 C ATOM 1359 CE LYS A 93 4.614 -0.736 -11.196 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.735 0.214 -11.913 1.00 0.00 N ATOM 0 H LYS A 93 7.675 -2.556 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 93 5.105 -3.716 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.921 -1.841 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.946 -2.798 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.882 -2.142 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.831 -1.248 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.922 0.309 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.667 0.253 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.596 -0.760 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.203 -1.743 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.650 -0.076 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.794 0.217 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.143 1.169 -11.864 1.00 0.00 H new ATOM 1374 N LYS A 94 7.599 -5.459 -8.609 1.00 0.00 N ATOM 1375 CA LYS A 94 8.025 -6.717 -9.198 1.00 0.00 C ATOM 1376 C LYS A 94 8.316 -7.724 -8.084 1.00 0.00 C ATOM 1377 O LYS A 94 7.649 -8.753 -7.983 1.00 0.00 O ATOM 1378 CB LYS A 94 9.203 -6.492 -10.148 1.00 0.00 C ATOM 1379 CG LYS A 94 9.815 -5.104 -9.943 1.00 0.00 C ATOM 1380 CD LYS A 94 11.103 -4.948 -10.754 1.00 0.00 C ATOM 1381 CE LYS A 94 11.303 -3.496 -11.191 1.00 0.00 C ATOM 1382 NZ LYS A 94 12.005 -3.438 -12.493 1.00 0.00 N ATOM 0 H LYS A 94 8.288 -5.019 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 94 7.229 -7.140 -9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.962 -7.256 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.868 -6.597 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.098 -4.339 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.026 -4.948 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.955 -5.272 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.065 -5.594 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.337 -2.997 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.878 -2.959 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.133 -2.445 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.935 -3.896 -12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.441 -3.933 -13.214 1.00 0.00 H new ATOM 1396 N THR A 95 9.313 -7.393 -7.276 1.00 0.00 N ATOM 1397 CA THR A 95 9.700 -8.256 -6.174 1.00 0.00 C ATOM 1398 C THR A 95 8.487 -8.586 -5.303 1.00 0.00 C ATOM 1399 O THR A 95 8.477 -9.599 -4.604 1.00 0.00 O ATOM 1400 CB THR A 95 10.829 -7.564 -5.406 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.208 -6.413 -4.839 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.902 -6.990 -6.333 1.00 0.00 C ATOM 0 H THR A 95 9.864 -6.539 -7.363 1.00 0.00 H new ATOM 0 HA THR A 95 10.072 -9.215 -6.535 1.00 0.00 H new ATOM 0 HB THR A 95 11.287 -8.273 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.868 -5.906 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.679 -6.510 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.342 -7.794 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.451 -6.255 -7.000 1.00 0.00 H new ATOM 1410 N GLY A 96 7.492 -7.713 -5.374 1.00 0.00 N ATOM 1411 CA GLY A 96 6.277 -7.900 -4.600 1.00 0.00 C ATOM 1412 C GLY A 96 6.534 -7.670 -3.110 1.00 0.00 C ATOM 1413 O GLY A 96 7.628 -7.266 -2.720 1.00 0.00 O ATOM 0 H GLY A 96 7.503 -6.875 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.509 -7.211 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.895 -8.909 -4.755 1.00 0.00 H new ATOM 1417 N ILE A 97 5.507 -7.939 -2.316 1.00 0.00 N ATOM 1418 CA ILE A 97 5.609 -7.767 -0.877 1.00 0.00 C ATOM 1419 C ILE A 97 5.255 -9.085 -0.184 1.00 0.00 C ATOM 1420 O ILE A 97 4.459 -9.868 -0.700 1.00 0.00 O ATOM 1421 CB ILE A 97 4.756 -6.583 -0.418 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.374 -5.256 -0.866 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.526 -6.626 1.094 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.291 -4.209 -1.131 1.00 0.00 C ATOM 0 H ILE A 97 4.601 -8.275 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 97 6.633 -7.522 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 97 3.779 -6.661 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.057 -4.892 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.963 -5.412 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.917 -5.773 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.011 -7.550 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.486 -6.585 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.757 -3.276 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.624 -4.566 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.719 -4.038 -0.219 1.00 0.00 H new ATOM 1436 N GLU A 98 5.864 -9.289 0.975 1.00 0.00 N ATOM 1437 CA GLU A 98 5.623 -10.498 1.744 1.00 0.00 C ATOM 1438 C GLU A 98 4.808 -10.176 2.998 1.00 0.00 C ATOM 1439 O GLU A 98 5.203 -9.332 3.800 1.00 0.00 O ATOM 1440 CB GLU A 98 6.940 -11.187 2.108 1.00 0.00 C ATOM 1441 CG GLU A 98 6.691 -12.418 2.982 1.00 0.00 C ATOM 1442 CD GLU A 98 7.941 -12.782 3.785 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.950 -13.134 3.137 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.860 -12.700 5.030 1.00 0.00 O ATOM 0 H GLU A 98 6.524 -8.637 1.400 1.00 0.00 H new ATOM 0 HA GLU A 98 5.047 -11.189 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.464 -11.482 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.587 -10.487 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.861 -12.224 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.399 -13.261 2.355 1.00 0.00 H new ATOM 1451 N GLU A 99 3.684 -10.866 3.127 1.00 0.00 N ATOM 1452 CA GLU A 99 2.809 -10.664 4.269 1.00 0.00 C ATOM 1453 C GLU A 99 3.372 -11.376 5.501 1.00 0.00 C ATOM 1454 O GLU A 99 4.414 -12.025 5.425 1.00 0.00 O ATOM 1455 CB GLU A 99 1.388 -11.140 3.963 1.00 0.00 C ATOM 1456 CG GLU A 99 0.797 -10.374 2.777 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.520 -11.004 2.319 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -0.447 -12.095 1.714 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.570 -10.380 2.584 1.00 0.00 O ATOM 0 H GLU A 99 3.359 -11.565 2.459 1.00 0.00 H new ATOM 0 HA GLU A 99 2.761 -9.596 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.398 -12.207 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.757 -11.001 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.629 -9.335 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.509 -10.369 1.951 1.00 0.00 H new ATOM 1466 N ALA A 100 2.657 -11.231 6.607 1.00 0.00 N ATOM 1467 CA ALA A 100 3.072 -11.852 7.853 1.00 0.00 C ATOM 1468 C ALA A 100 2.447 -13.245 7.957 1.00 0.00 C ATOM 1469 O ALA A 100 2.982 -14.120 8.636 1.00 0.00 O ATOM 1470 CB ALA A 100 2.685 -10.950 9.027 1.00 0.00 C ATOM 0 H ALA A 100 1.793 -10.692 6.666 1.00 0.00 H new ATOM 0 HA ALA A 100 4.155 -11.974 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.996 -11.416 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.178 -9.984 8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.604 -10.807 9.035 1.00 0.00 H new ATOM 1476 N SER A 101 1.324 -13.406 7.273 1.00 0.00 N ATOM 1477 CA SER A 101 0.620 -14.678 7.280 1.00 0.00 C ATOM 1478 C SER A 101 1.422 -15.724 6.503 1.00 0.00 C ATOM 1479 O SER A 101 1.138 -16.917 6.587 1.00 0.00 O ATOM 1480 CB SER A 101 -0.782 -14.534 6.685 1.00 0.00 C ATOM 1481 OG SER A 101 -1.788 -14.491 7.693 1.00 0.00 O ATOM 0 H SER A 101 0.884 -12.678 6.711 1.00 0.00 H new ATOM 0 HA SER A 101 0.515 -15.005 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.830 -13.625 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.978 -15.369 6.013 1.00 0.00 H new ATOM 0 HG SER A 101 -2.668 -14.397 7.273 1.00 0.00 H new ATOM 1487 N GLY A 102 2.408 -15.237 5.763 1.00 0.00 N ATOM 1488 CA GLY A 102 3.253 -16.115 4.972 1.00 0.00 C ATOM 1489 C GLY A 102 2.982 -15.936 3.477 1.00 0.00 C ATOM 1490 O GLY A 102 3.837 -16.241 2.646 1.00 0.00 O ATOM 0 H GLY A 102 2.640 -14.246 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.301 -15.904 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.073 -17.152 5.256 1.00 0.00 H new ATOM 1494 N ALA A 103 1.789 -15.442 3.179 1.00 0.00 N ATOM 1495 CA ALA A 103 1.395 -15.218 1.799 1.00 0.00 C ATOM 1496 C ALA A 103 2.114 -13.980 1.261 1.00 0.00 C ATOM 1497 O ALA A 103 2.460 -13.079 2.024 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.128 -15.089 1.718 1.00 0.00 C ATOM 0 H ALA A 103 1.082 -15.191 3.870 1.00 0.00 H new ATOM 0 HA ALA A 103 1.685 -16.064 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.424 -14.921 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.591 -16.006 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.455 -14.248 2.330 1.00 0.00 H new ATOM 1504 N PHE A 104 2.319 -13.975 -0.048 1.00 0.00 N ATOM 1505 CA PHE A 104 2.991 -12.862 -0.696 1.00 0.00 C ATOM 1506 C PHE A 104 2.007 -12.037 -1.528 1.00 0.00 C ATOM 1507 O PHE A 104 1.011 -12.564 -2.021 1.00 0.00 O ATOM 1508 CB PHE A 104 4.051 -13.459 -1.624 1.00 0.00 C ATOM 1509 CG PHE A 104 5.446 -13.542 -1.002 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.727 -14.511 -0.090 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.406 -12.649 -1.363 1.00 0.00 C ATOM 1512 CE1 PHE A 104 7.022 -14.588 0.487 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.701 -12.726 -0.786 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.982 -13.695 0.127 1.00 0.00 C ATOM 0 H PHE A 104 2.031 -14.724 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 104 3.431 -12.205 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.737 -14.459 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.104 -12.858 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.965 -15.222 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.183 -11.881 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.245 -15.356 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.463 -12.016 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.967 -13.755 0.566 1.00 0.00 H new ATOM 1524 N VAL A 105 2.322 -10.756 -1.660 1.00 0.00 N ATOM 1525 CA VAL A 105 1.478 -9.853 -2.424 1.00 0.00 C ATOM 1526 C VAL A 105 2.291 -9.251 -3.571 1.00 0.00 C ATOM 1527 O VAL A 105 3.519 -9.334 -3.577 1.00 0.00 O ATOM 1528 CB VAL A 105 0.872 -8.795 -1.500 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.231 -7.665 -2.307 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.137 -9.422 -0.536 1.00 0.00 C ATOM 0 H VAL A 105 3.150 -10.323 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 105 0.642 -10.394 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 105 1.679 -8.366 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.192 -6.926 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.987 -7.191 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.559 -8.072 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.553 -8.648 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.940 -9.891 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.362 -10.174 0.075 1.00 0.00 H new ATOM 1540 N TYR A 106 1.575 -8.657 -4.514 1.00 0.00 N ATOM 1541 CA TYR A 106 2.215 -8.041 -5.664 1.00 0.00 C ATOM 1542 C TYR A 106 1.403 -6.845 -6.167 1.00 0.00 C ATOM 1543 O TYR A 106 0.174 -6.877 -6.160 1.00 0.00 O ATOM 1544 CB TYR A 106 2.248 -9.114 -6.754 1.00 0.00 C ATOM 1545 CG TYR A 106 2.850 -10.445 -6.298 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.220 -10.614 -6.285 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.023 -11.476 -5.901 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.786 -11.866 -5.856 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.590 -12.728 -5.472 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.943 -12.862 -5.471 1.00 0.00 C ATOM 1551 OH TYR A 106 4.478 -14.045 -5.066 1.00 0.00 O ATOM 0 H TYR A 106 0.557 -8.589 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 106 3.210 -7.681 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.232 -9.289 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.821 -8.739 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.867 -9.807 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.951 -11.344 -5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.856 -12.011 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.955 -13.543 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 106 3.758 -14.662 -4.819 1.00 0.00 H new ATOM 1561 N LEU A 107 2.125 -5.818 -6.592 1.00 0.00 N ATOM 1562 CA LEU A 107 1.488 -4.614 -7.098 1.00 0.00 C ATOM 1563 C LEU A 107 1.343 -4.719 -8.617 1.00 0.00 C ATOM 1564 O LEU A 107 2.210 -4.263 -9.360 1.00 0.00 O ATOM 1565 CB LEU A 107 2.250 -3.370 -6.637 1.00 0.00 C ATOM 1566 CG LEU A 107 2.674 -3.349 -5.167 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.906 -4.227 -4.939 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.893 -1.916 -4.680 1.00 0.00 C ATOM 0 H LEU A 107 3.145 -5.795 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 107 0.483 -4.514 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.143 -3.266 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.628 -2.496 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 107 1.864 -3.771 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.186 -4.194 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.678 -5.255 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.733 -3.859 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.194 -1.930 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.675 -1.445 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.967 -1.351 -4.784 1.00 0.00 H new ATOM 1580 N ARG A 108 0.239 -5.322 -9.034 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.030 -5.493 -10.452 1.00 0.00 C ATOM 1582 C ARG A 108 -0.367 -4.145 -11.094 1.00 0.00 C ATOM 1583 O ARG A 108 0.299 -3.719 -12.036 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.192 -6.462 -10.679 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.749 -7.910 -10.456 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.650 -8.883 -11.220 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.143 -9.065 -12.599 1.00 0.00 N ATOM 1588 CZ ARG A 108 -1.508 -10.070 -13.406 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -2.383 -10.990 -12.977 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -0.997 -10.156 -14.642 1.00 0.00 N ATOM 0 H ARG A 108 -0.479 -5.698 -8.415 1.00 0.00 H new ATOM 0 HA ARG A 108 0.868 -5.905 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.010 -6.220 -10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.574 -6.347 -11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.284 -8.032 -10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.777 -8.143 -9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.681 -9.843 -10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.671 -8.502 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.474 -8.383 -12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.771 -10.925 -12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.661 -11.755 -13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.330 -9.456 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.275 -10.921 -15.257 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.401 -3.513 -10.558 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.834 -2.222 -11.067 1.00 0.00 C ATOM 1606 C GLN A 109 -2.207 -1.294 -9.910 1.00 0.00 C ATOM 1607 O GLN A 109 -2.799 -1.731 -8.924 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.003 -2.381 -12.042 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.281 -2.785 -11.304 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.776 -4.155 -11.773 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.377 -4.299 -12.825 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.490 -5.149 -10.938 1.00 0.00 N ATOM 0 H GLN A 109 -1.951 -3.870 -9.777 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.006 -1.773 -11.615 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.167 -1.444 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.757 -3.134 -12.790 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.093 -2.810 -10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.055 -2.037 -11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.984 -4.959 -10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.777 -6.102 -11.162 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.837 0.005 -10.073 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.126 0.999 -9.054 1.00 0.00 C ATOM 1623 C PRO A 110 -3.607 1.384 -9.068 1.00 0.00 C ATOM 1624 O PRO A 110 -4.283 1.227 -10.084 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.206 2.167 -9.370 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.774 1.977 -10.815 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.135 0.559 -11.227 1.00 0.00 C ATOM 0 HA PRO A 110 -1.946 0.630 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.722 3.118 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.344 2.177 -8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.272 2.701 -11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.298 2.143 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.767 0.553 -12.115 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.245 -0.023 -11.466 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.068 1.880 -7.930 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.456 2.289 -7.799 1.00 0.00 C ATOM 1637 C TYR A 111 -5.596 3.807 -7.928 1.00 0.00 C ATOM 1638 O TYR A 111 -4.862 4.558 -7.288 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.889 1.867 -6.393 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.275 2.373 -5.991 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.404 1.825 -6.566 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.398 3.377 -5.052 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.709 2.302 -6.188 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.703 3.854 -4.673 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.794 3.292 -5.260 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.027 3.742 -4.902 1.00 0.00 O ATOM 0 H TYR A 111 -3.505 2.008 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.065 1.833 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.879 0.779 -6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.157 2.233 -5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.308 1.038 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.515 3.805 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.600 1.883 -6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.813 4.639 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.678 3.015 -4.988 1.00 0.00 H new