USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0.00895 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.0636 K(o=0.073,f=-1.9) USER MOD Set 2.1: A 8 CYS SG : rot 149:sc= 0.205 USER MOD Set 2.2: A 34 CYS SG : rot -90:sc= -6.85! USER MOD Single : A 4 GLN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 18 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 20 CYS SG : rot 75:sc= 0.527 USER MOD Single : A 21 GLN : amide:sc= -4.72 K(o=-4.7,f=-9.3!) USER MOD Single : A 25 SER OG : rot 72:sc= 0.351 USER MOD Single : A 29 TYR OH : rot 130:sc= -0.563 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.21) USER MOD Single : A 36 SER OG : rot 166:sc= 0.179 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 45 GLN : amide:sc= -4.7! C(o=-4.7!,f=-7.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00422 USER MOD Single : A 47 HIS : no HD1:sc= -8.03! C(o=-8!,f=-5.9!) USER MOD Single : A 50 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 53 CYS SG : rot -17:sc= -1.81! USER MOD Single : A 60 ASN : amide:sc= -0.619 K(o=-0.62,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0978 USER MOD Single : A 68 GLN : amide:sc= -0.587 K(o=-0.59,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.474 K(o=-0.47,f=-2!) USER MOD Single : A 71 CYS SG : rot 25:sc= -4.67 USER MOD Single : A 99 TYR OH : rot -5:sc= 1.23 USER MOD Single : A 100 HIS : no HD1:sc= -13.1! C(o=-13!,f=-25!) USER MOD Single : A 101 SER OG : rot 180:sc=0.000179 USER MOD Single : A 105 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-3.5!) USER MOD Single : A 109 HIS : no HD1:sc= -3.01! C(o=-3!,f=-4.5!) USER MOD Single : A 110 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.58) USER MOD Single : A 113 GLN : amide:sc= -0.578 K(o=-0.58,f=-2.2!) USER MOD Single : A 133 THR OG1 : rot -94:sc= 0.157 USER MOD Single : A 134 MET CE :methyl -141:sc= -0.454 (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 2.651 5.576 15.410 1.00 0.00 N ATOM 51 CA GLN A 4 3.536 4.785 14.509 1.00 0.00 C ATOM 52 C GLN A 4 2.782 4.412 13.233 1.00 0.00 C ATOM 53 O GLN A 4 1.572 4.292 13.227 1.00 0.00 O ATOM 54 CB GLN A 4 3.909 3.538 15.306 1.00 0.00 C ATOM 55 CG GLN A 4 4.822 3.953 16.457 1.00 0.00 C ATOM 56 CD GLN A 4 5.448 2.712 17.097 1.00 0.00 C ATOM 57 OE1 GLN A 4 4.773 1.948 17.758 1.00 0.00 O ATOM 58 NE2 GLN A 4 6.721 2.477 16.925 1.00 0.00 N ATOM 0 HA GLN A 4 4.421 5.342 14.202 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.012 3.052 15.690 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.413 2.815 14.664 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.604 4.618 16.091 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.253 4.510 17.202 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.288 3.118 16.370 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.149 1.652 17.346 1.00 0.00 H new ATOM 67 N ILE A 5 3.484 4.237 12.150 1.00 0.00 N ATOM 68 CA ILE A 5 2.804 3.885 10.873 1.00 0.00 C ATOM 69 C ILE A 5 2.942 2.391 10.574 1.00 0.00 C ATOM 70 O ILE A 5 4.010 1.822 10.679 1.00 0.00 O ATOM 71 CB ILE A 5 3.528 4.699 9.802 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.324 6.192 10.063 1.00 0.00 C ATOM 73 CG2 ILE A 5 2.974 4.341 8.421 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.043 6.996 8.980 1.00 0.00 C ATOM 0 H ILE A 5 4.499 4.322 12.093 1.00 0.00 H new ATOM 0 HA ILE A 5 1.737 4.102 10.914 1.00 0.00 H new ATOM 0 HB ILE A 5 4.593 4.469 9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.261 6.431 10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.711 6.457 11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.492 4.923 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.127 3.278 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.908 4.566 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.900 8.061 9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.108 6.764 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.635 6.737 8.003 1.00 0.00 H new ATOM 86 N ALA A 6 1.871 1.755 10.185 1.00 0.00 N ATOM 87 CA ALA A 6 1.947 0.308 9.857 1.00 0.00 C ATOM 88 C ALA A 6 2.134 0.149 8.349 1.00 0.00 C ATOM 89 O ALA A 6 1.294 0.545 7.566 1.00 0.00 O ATOM 90 CB ALA A 6 0.603 -0.268 10.290 1.00 0.00 C ATOM 0 H ALA A 6 0.948 2.177 10.081 1.00 0.00 H new ATOM 0 HA ALA A 6 2.777 -0.196 10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.581 -1.337 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.465 -0.105 11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.199 0.226 9.741 1.00 0.00 H new ATOM 96 N ILE A 7 3.229 -0.413 7.930 1.00 0.00 N ATOM 97 CA ILE A 7 3.453 -0.571 6.465 1.00 0.00 C ATOM 98 C ILE A 7 3.656 -2.041 6.094 1.00 0.00 C ATOM 99 O ILE A 7 4.437 -2.747 6.700 1.00 0.00 O ATOM 100 CB ILE A 7 4.710 0.249 6.164 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.480 1.699 6.607 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.997 0.212 4.663 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.631 2.584 6.118 1.00 0.00 C ATOM 0 H ILE A 7 3.974 -0.768 8.530 1.00 0.00 H new ATOM 0 HA ILE A 7 2.595 -0.230 5.885 1.00 0.00 H new ATOM 0 HB ILE A 7 5.560 -0.169 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.534 2.064 6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.408 1.749 7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.892 0.796 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.153 -0.820 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.151 0.633 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.460 3.612 6.437 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.570 2.225 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.683 2.545 5.030 1.00 0.00 H new ATOM 115 N CYS A 8 2.964 -2.496 5.088 1.00 0.00 N ATOM 116 CA CYS A 8 3.117 -3.912 4.648 1.00 0.00 C ATOM 117 C CYS A 8 3.643 -3.934 3.215 1.00 0.00 C ATOM 118 O CYS A 8 2.968 -3.526 2.292 1.00 0.00 O ATOM 119 CB CYS A 8 1.710 -4.511 4.713 1.00 0.00 C ATOM 120 SG CYS A 8 1.827 -6.315 4.804 1.00 0.00 S ATOM 0 H CYS A 8 2.296 -1.946 4.548 1.00 0.00 H new ATOM 0 HA CYS A 8 3.816 -4.473 5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.179 -4.126 5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.137 -4.217 3.834 1.00 0.00 H new ATOM 0 HG CYS A 8 0.828 -6.780 5.493 1.00 0.00 H new ATOM 126 N ILE A 9 4.848 -4.384 3.017 1.00 0.00 N ATOM 127 CA ILE A 9 5.407 -4.400 1.638 1.00 0.00 C ATOM 128 C ILE A 9 5.407 -5.804 1.058 1.00 0.00 C ATOM 129 O ILE A 9 5.719 -6.768 1.728 1.00 0.00 O ATOM 130 CB ILE A 9 6.844 -3.939 1.789 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.547 -4.032 0.429 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.538 -4.851 2.791 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.947 -3.427 0.522 1.00 0.00 C ATOM 0 H ILE A 9 5.468 -4.740 3.745 1.00 0.00 H new ATOM 0 HA ILE A 9 4.816 -3.770 0.972 1.00 0.00 H new ATOM 0 HB ILE A 9 6.880 -2.908 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.612 -5.074 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.964 -3.506 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.574 -4.535 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.025 -4.794 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.512 -5.878 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.439 -3.497 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.872 -2.380 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.530 -3.971 1.265 1.00 0.00 H new ATOM 145 N TRP A 10 5.108 -5.919 -0.197 1.00 0.00 N ATOM 146 CA TRP A 10 5.147 -7.261 -0.838 1.00 0.00 C ATOM 147 C TRP A 10 6.231 -7.266 -1.910 1.00 0.00 C ATOM 148 O TRP A 10 6.081 -6.674 -2.961 1.00 0.00 O ATOM 149 CB TRP A 10 3.775 -7.493 -1.466 1.00 0.00 C ATOM 150 CG TRP A 10 3.872 -8.669 -2.384 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.791 -9.657 -2.272 1.00 0.00 C ATOM 152 CD2 TRP A 10 3.058 -8.998 -3.544 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.595 -10.571 -3.291 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.533 -10.211 -4.099 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.962 -8.371 -4.163 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.945 -10.780 -5.227 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.368 -8.942 -5.301 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.857 -10.145 -5.830 1.00 0.00 C ATOM 0 H TRP A 10 4.839 -5.148 -0.809 1.00 0.00 H new ATOM 0 HA TRP A 10 5.372 -8.048 -0.118 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.029 -7.676 -0.692 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.454 -6.608 -2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.554 -9.721 -1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.163 -11.407 -3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.575 -7.446 -3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.328 -11.705 -5.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.529 -8.451 -5.772 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.393 -10.580 -6.703 1.00 0.00 H new ATOM 169 N VAL A 11 7.327 -7.914 -1.650 1.00 0.00 N ATOM 170 CA VAL A 11 8.424 -7.941 -2.651 1.00 0.00 C ATOM 171 C VAL A 11 9.015 -9.342 -2.757 1.00 0.00 C ATOM 172 O VAL A 11 9.182 -10.031 -1.771 1.00 0.00 O ATOM 173 CB VAL A 11 9.461 -6.967 -2.110 1.00 0.00 C ATOM 174 CG1 VAL A 11 10.761 -7.123 -2.897 1.00 0.00 C ATOM 175 CG2 VAL A 11 8.938 -5.539 -2.262 1.00 0.00 C ATOM 0 H VAL A 11 7.511 -8.426 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 11 8.080 -7.670 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 11 9.648 -7.176 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.506 -6.426 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.130 -8.143 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.577 -6.911 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.678 -4.838 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.754 -5.329 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.009 -5.431 -1.703 1.00 0.00 H new ATOM 185 N GLU A 12 9.337 -9.768 -3.944 1.00 0.00 N ATOM 186 CA GLU A 12 9.922 -11.123 -4.103 1.00 0.00 C ATOM 187 C GLU A 12 11.451 -11.044 -4.099 1.00 0.00 C ATOM 188 O GLU A 12 12.134 -12.033 -3.914 1.00 0.00 O ATOM 189 CB GLU A 12 9.399 -11.627 -5.449 1.00 0.00 C ATOM 190 CG GLU A 12 7.971 -12.147 -5.281 1.00 0.00 C ATOM 191 CD GLU A 12 7.627 -13.085 -6.439 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.591 -12.616 -7.566 1.00 0.00 O ATOM 193 OE2 GLU A 12 7.405 -14.256 -6.180 1.00 0.00 O ATOM 0 H GLU A 12 9.221 -9.238 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 12 9.645 -11.793 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.420 -10.822 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.044 -12.420 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.874 -12.674 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.270 -11.313 -5.255 1.00 0.00 H new ATOM 200 N SER A 13 11.994 -9.873 -4.288 1.00 0.00 N ATOM 201 CA SER A 13 13.479 -9.727 -4.278 1.00 0.00 C ATOM 202 C SER A 13 13.912 -9.031 -2.988 1.00 0.00 C ATOM 203 O SER A 13 13.619 -7.871 -2.772 1.00 0.00 O ATOM 204 CB SER A 13 13.811 -8.854 -5.490 1.00 0.00 C ATOM 205 OG SER A 13 15.138 -9.129 -5.925 1.00 0.00 O ATOM 0 H SER A 13 11.474 -9.010 -4.449 1.00 0.00 H new ATOM 0 HA SER A 13 13.991 -10.688 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.105 -9.050 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.713 -7.800 -5.230 1.00 0.00 H new ATOM 0 HG SER A 13 15.350 -8.571 -6.702 1.00 0.00 H new ATOM 211 N THR A 14 14.602 -9.724 -2.126 1.00 0.00 N ATOM 212 CA THR A 14 15.037 -9.087 -0.853 1.00 0.00 C ATOM 213 C THR A 14 15.672 -7.728 -1.144 1.00 0.00 C ATOM 214 O THR A 14 15.417 -6.755 -0.463 1.00 0.00 O ATOM 215 CB THR A 14 16.065 -10.048 -0.255 1.00 0.00 C ATOM 216 OG1 THR A 14 15.493 -11.345 -0.155 1.00 0.00 O ATOM 217 CG2 THR A 14 16.474 -9.560 1.136 1.00 0.00 C ATOM 0 H THR A 14 14.882 -10.697 -2.247 1.00 0.00 H new ATOM 0 HA THR A 14 14.206 -8.913 -0.169 1.00 0.00 H new ATOM 0 HB THR A 14 16.945 -10.086 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.150 -11.964 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.207 -10.246 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.911 -8.564 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.596 -9.522 1.781 1.00 0.00 H new ATOM 225 N ALA A 15 16.485 -7.645 -2.161 1.00 0.00 N ATOM 226 CA ALA A 15 17.116 -6.337 -2.492 1.00 0.00 C ATOM 227 C ALA A 15 16.031 -5.268 -2.626 1.00 0.00 C ATOM 228 O ALA A 15 16.097 -4.221 -2.012 1.00 0.00 O ATOM 229 CB ALA A 15 17.825 -6.564 -3.828 1.00 0.00 C ATOM 0 H ALA A 15 16.738 -8.421 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 15 17.811 -5.997 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.316 -5.642 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.570 -7.352 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.095 -6.860 -4.582 1.00 0.00 H new ATOM 235 N ILE A 16 15.014 -5.532 -3.404 1.00 0.00 N ATOM 236 CA ILE A 16 13.916 -4.539 -3.547 1.00 0.00 C ATOM 237 C ILE A 16 13.185 -4.405 -2.212 1.00 0.00 C ATOM 238 O ILE A 16 12.860 -3.321 -1.774 1.00 0.00 O ATOM 239 CB ILE A 16 12.993 -5.117 -4.617 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.744 -5.176 -5.949 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.757 -4.228 -4.763 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.928 -5.975 -6.965 1.00 0.00 C ATOM 0 H ILE A 16 14.899 -6.390 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 16 14.273 -3.547 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 16 12.680 -6.120 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.921 -4.168 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.720 -5.639 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.099 -4.642 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.226 -4.184 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.064 -3.223 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.465 -6.015 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.774 -6.988 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.962 -5.493 -7.116 1.00 0.00 H new ATOM 254 N LEU A 17 12.946 -5.506 -1.552 1.00 0.00 N ATOM 255 CA LEU A 17 12.258 -5.449 -0.233 1.00 0.00 C ATOM 256 C LEU A 17 13.109 -4.632 0.737 1.00 0.00 C ATOM 257 O LEU A 17 12.603 -3.902 1.565 1.00 0.00 O ATOM 258 CB LEU A 17 12.143 -6.916 0.213 1.00 0.00 C ATOM 259 CG LEU A 17 12.135 -7.040 1.747 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.565 -6.918 2.275 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.260 -5.948 2.380 1.00 0.00 C ATOM 0 H LEU A 17 13.198 -6.442 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 17 11.278 -4.974 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.229 -7.350 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.976 -7.488 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 17 11.721 -8.012 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.560 -7.006 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.179 -7.712 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.976 -5.949 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.270 -6.057 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.650 -4.967 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.237 -6.044 2.015 1.00 0.00 H new ATOM 273 N GLN A 18 14.402 -4.753 0.634 1.00 0.00 N ATOM 274 CA GLN A 18 15.293 -3.982 1.545 1.00 0.00 C ATOM 275 C GLN A 18 15.305 -2.508 1.142 1.00 0.00 C ATOM 276 O GLN A 18 15.080 -1.631 1.952 1.00 0.00 O ATOM 277 CB GLN A 18 16.681 -4.603 1.374 1.00 0.00 C ATOM 278 CG GLN A 18 16.714 -5.983 2.033 1.00 0.00 C ATOM 279 CD GLN A 18 18.130 -6.558 1.952 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.939 -6.105 1.165 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.466 -7.547 2.734 1.00 0.00 N ATOM 0 H GLN A 18 14.880 -5.351 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 18 14.960 -4.025 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.923 -4.689 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.436 -3.957 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.401 -5.907 3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.011 -6.651 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.788 -7.928 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.406 -7.939 2.685 1.00 0.00 H new ATOM 290 N ASP A 19 15.569 -2.229 -0.104 1.00 0.00 N ATOM 291 CA ASP A 19 15.597 -0.810 -0.554 1.00 0.00 C ATOM 292 C ASP A 19 14.291 -0.109 -0.168 1.00 0.00 C ATOM 293 O ASP A 19 14.293 1.021 0.277 1.00 0.00 O ATOM 294 CB ASP A 19 15.736 -0.883 -2.074 1.00 0.00 C ATOM 295 CG ASP A 19 17.092 -1.488 -2.434 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.918 -1.610 -1.545 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.282 -1.822 -3.592 1.00 0.00 O ATOM 0 H ASP A 19 15.766 -2.920 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 19 16.409 -0.245 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.933 -1.488 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.644 0.113 -2.506 1.00 0.00 H new ATOM 302 N CYS A 20 13.176 -0.773 -0.324 1.00 0.00 N ATOM 303 CA CYS A 20 11.879 -0.138 0.047 1.00 0.00 C ATOM 304 C CYS A 20 11.862 0.179 1.538 1.00 0.00 C ATOM 305 O CYS A 20 11.580 1.288 1.946 1.00 0.00 O ATOM 306 CB CYS A 20 10.811 -1.180 -0.276 1.00 0.00 C ATOM 307 SG CYS A 20 10.818 -1.531 -2.050 1.00 0.00 S ATOM 0 H CYS A 20 13.108 -1.723 -0.690 1.00 0.00 H new ATOM 0 HA CYS A 20 11.714 0.796 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.000 -2.095 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.830 -0.816 0.028 1.00 0.00 H new ATOM 0 HG CYS A 20 11.842 -2.277 -2.341 1.00 0.00 H new ATOM 313 N GLN A 21 12.168 -0.789 2.357 1.00 0.00 N ATOM 314 CA GLN A 21 12.175 -0.543 3.820 1.00 0.00 C ATOM 315 C GLN A 21 13.368 0.343 4.188 1.00 0.00 C ATOM 316 O GLN A 21 13.310 1.123 5.118 1.00 0.00 O ATOM 317 CB GLN A 21 12.264 -1.933 4.447 1.00 0.00 C ATOM 318 CG GLN A 21 11.001 -2.715 4.068 1.00 0.00 C ATOM 319 CD GLN A 21 10.930 -4.007 4.877 1.00 0.00 C ATOM 320 OE1 GLN A 21 9.860 -4.523 5.131 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.032 -4.557 5.292 1.00 0.00 N ATOM 0 H GLN A 21 12.413 -1.738 2.074 1.00 0.00 H new ATOM 0 HA GLN A 21 11.290 -0.015 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.153 -2.453 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.352 -1.856 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.116 -2.108 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.009 -2.943 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.930 -4.123 5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.999 -5.422 5.831 1.00 0.00 H new ATOM 330 N ARG A 22 14.441 0.261 3.442 1.00 0.00 N ATOM 331 CA ARG A 22 15.607 1.138 3.738 1.00 0.00 C ATOM 332 C ARG A 22 15.101 2.567 3.822 1.00 0.00 C ATOM 333 O ARG A 22 15.347 3.279 4.774 1.00 0.00 O ATOM 334 CB ARG A 22 16.544 0.976 2.544 1.00 0.00 C ATOM 335 CG ARG A 22 17.919 0.528 3.033 1.00 0.00 C ATOM 336 CD ARG A 22 17.845 -0.936 3.470 1.00 0.00 C ATOM 337 NE ARG A 22 19.256 -1.407 3.474 1.00 0.00 N ATOM 338 CZ ARG A 22 19.527 -2.664 3.696 1.00 0.00 C ATOM 339 NH1 ARG A 22 18.559 -3.513 3.928 1.00 0.00 N ATOM 340 NH2 ARG A 22 20.766 -3.070 3.690 1.00 0.00 N ATOM 0 H ARG A 22 14.557 -0.370 2.649 1.00 0.00 H new ATOM 0 HA ARG A 22 16.113 0.890 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.138 0.244 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.628 1.919 2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.657 0.646 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.243 1.152 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.394 -1.031 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.235 -1.523 2.783 1.00 0.00 H new ATOM 0 HE ARG A 22 20.014 -0.746 3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.591 -3.193 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.773 -4.495 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.519 -2.406 3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.982 -4.052 3.863 1.00 0.00 H new ATOM 354 N ALA A 23 14.350 2.969 2.838 1.00 0.00 N ATOM 355 CA ALA A 23 13.766 4.330 2.863 1.00 0.00 C ATOM 356 C ALA A 23 12.762 4.372 4.017 1.00 0.00 C ATOM 357 O ALA A 23 12.837 5.215 4.888 1.00 0.00 O ATOM 358 CB ALA A 23 13.077 4.490 1.508 1.00 0.00 C ATOM 0 H ALA A 23 14.117 2.410 2.017 1.00 0.00 H new ATOM 0 HA ALA A 23 14.491 5.130 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.618 5.477 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.813 4.383 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.309 3.725 1.398 1.00 0.00 H new ATOM 364 N LEU A 24 11.845 3.434 4.052 1.00 0.00 N ATOM 365 CA LEU A 24 10.871 3.385 5.173 1.00 0.00 C ATOM 366 C LEU A 24 11.511 2.668 6.362 1.00 0.00 C ATOM 367 O LEU A 24 11.114 1.584 6.726 1.00 0.00 O ATOM 368 CB LEU A 24 9.700 2.566 4.643 1.00 0.00 C ATOM 369 CG LEU A 24 9.108 3.261 3.425 1.00 0.00 C ATOM 370 CD1 LEU A 24 7.974 2.420 2.856 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.553 4.616 3.835 1.00 0.00 C ATOM 0 H LEU A 24 11.734 2.703 3.349 1.00 0.00 H new ATOM 0 HA LEU A 24 10.560 4.376 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.034 1.563 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.940 2.454 5.417 1.00 0.00 H new ATOM 0 HG LEU A 24 9.887 3.388 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.552 2.920 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.357 1.442 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.199 2.294 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.129 5.114 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.777 4.479 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.355 5.228 4.248 1.00 0.00 H new ATOM 383 N SER A 25 12.497 3.262 6.963 1.00 0.00 N ATOM 384 CA SER A 25 13.166 2.613 8.126 1.00 0.00 C ATOM 385 C SER A 25 13.065 3.525 9.347 1.00 0.00 C ATOM 386 O SER A 25 13.983 3.632 10.135 1.00 0.00 O ATOM 387 CB SER A 25 14.624 2.436 7.698 1.00 0.00 C ATOM 388 OG SER A 25 14.913 1.050 7.577 1.00 0.00 O ATOM 0 H SER A 25 12.873 4.173 6.701 1.00 0.00 H new ATOM 0 HA SER A 25 12.711 1.660 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.800 2.940 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.288 2.895 8.430 1.00 0.00 H new ATOM 0 HG SER A 25 14.472 0.692 6.778 1.00 0.00 H new ATOM 394 N ALA A 26 11.953 4.191 9.501 1.00 0.00 N ATOM 395 CA ALA A 26 11.783 5.106 10.662 1.00 0.00 C ATOM 396 C ALA A 26 11.430 4.312 11.919 1.00 0.00 C ATOM 397 O ALA A 26 10.841 3.251 11.852 1.00 0.00 O ATOM 398 CB ALA A 26 10.628 6.026 10.271 1.00 0.00 C ATOM 0 H ALA A 26 11.153 4.140 8.870 1.00 0.00 H new ATOM 0 HA ALA A 26 12.694 5.661 10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.438 6.734 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.888 6.571 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.733 5.430 10.093 1.00 0.00 H new ATOM 404 N ASP A 27 11.789 4.823 13.063 1.00 0.00 N ATOM 405 CA ASP A 27 11.482 4.111 14.336 1.00 0.00 C ATOM 406 C ASP A 27 9.968 3.946 14.501 1.00 0.00 C ATOM 407 O ASP A 27 9.505 3.095 15.233 1.00 0.00 O ATOM 408 CB ASP A 27 12.051 5.011 15.435 1.00 0.00 C ATOM 409 CG ASP A 27 11.964 4.297 16.786 1.00 0.00 C ATOM 410 OD1 ASP A 27 11.767 3.093 16.786 1.00 0.00 O ATOM 411 OD2 ASP A 27 12.099 4.966 17.797 1.00 0.00 O ATOM 0 H ASP A 27 12.285 5.708 13.172 1.00 0.00 H new ATOM 0 HA ASP A 27 11.911 3.109 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.088 5.262 15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.497 5.949 15.473 1.00 0.00 H new ATOM 416 N ARG A 28 9.195 4.756 13.827 1.00 0.00 N ATOM 417 CA ARG A 28 7.712 4.642 13.946 1.00 0.00 C ATOM 418 C ARG A 28 7.148 3.861 12.757 1.00 0.00 C ATOM 419 O ARG A 28 5.973 3.932 12.457 1.00 0.00 O ATOM 420 CB ARG A 28 7.195 6.085 13.933 1.00 0.00 C ATOM 421 CG ARG A 28 7.289 6.659 12.513 1.00 0.00 C ATOM 422 CD ARG A 28 6.745 8.093 12.502 1.00 0.00 C ATOM 423 NE ARG A 28 6.929 8.577 11.100 1.00 0.00 N ATOM 424 CZ ARG A 28 7.947 9.340 10.775 1.00 0.00 C ATOM 425 NH1 ARG A 28 8.887 9.615 11.642 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.035 9.813 9.562 1.00 0.00 N ATOM 0 H ARG A 28 9.526 5.490 13.201 1.00 0.00 H new ATOM 0 HA ARG A 28 7.411 4.112 14.850 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.162 6.114 14.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.779 6.696 14.621 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.325 6.649 12.174 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.721 6.038 11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.694 8.117 12.791 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.284 8.723 13.209 1.00 0.00 H new ATOM 0 HE ARG A 28 6.253 8.310 10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.836 9.235 12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.671 10.209 11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.316 9.589 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.823 10.406 9.302 1.00 0.00 H new ATOM 440 N TYR A 29 7.979 3.126 12.071 1.00 0.00 N ATOM 441 CA TYR A 29 7.490 2.355 10.890 1.00 0.00 C ATOM 442 C TYR A 29 7.329 0.873 11.210 1.00 0.00 C ATOM 443 O TYR A 29 8.169 0.257 11.836 1.00 0.00 O ATOM 444 CB TYR A 29 8.556 2.549 9.811 1.00 0.00 C ATOM 445 CG TYR A 29 8.228 3.771 8.987 1.00 0.00 C ATOM 446 CD1 TYR A 29 7.316 4.717 9.466 1.00 0.00 C ATOM 447 CD2 TYR A 29 8.832 3.955 7.742 1.00 0.00 C ATOM 448 CE1 TYR A 29 7.012 5.847 8.705 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.529 5.087 6.979 1.00 0.00 C ATOM 450 CZ TYR A 29 7.620 6.035 7.461 1.00 0.00 C ATOM 451 OH TYR A 29 7.322 7.153 6.708 1.00 0.00 O ATOM 0 H TYR A 29 8.973 3.025 12.275 1.00 0.00 H new ATOM 0 HA TYR A 29 6.508 2.706 10.574 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.537 2.662 10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.604 1.668 9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.846 4.573 10.427 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.533 3.223 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.307 6.576 9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.997 5.230 6.016 1.00 0.00 H new ATOM 0 HH TYR A 29 8.153 7.584 6.419 1.00 0.00 H new ATOM 461 N GLN A 30 6.258 0.296 10.748 1.00 0.00 N ATOM 462 CA GLN A 30 6.025 -1.156 10.972 1.00 0.00 C ATOM 463 C GLN A 30 6.036 -1.854 9.616 1.00 0.00 C ATOM 464 O GLN A 30 5.023 -1.971 8.955 1.00 0.00 O ATOM 465 CB GLN A 30 4.646 -1.255 11.622 1.00 0.00 C ATOM 466 CG GLN A 30 4.727 -2.178 12.838 1.00 0.00 C ATOM 467 CD GLN A 30 3.351 -2.780 13.128 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.938 -3.721 12.480 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.620 -2.277 14.085 1.00 0.00 N ATOM 0 H GLN A 30 5.527 0.772 10.220 1.00 0.00 H new ATOM 0 HA GLN A 30 6.783 -1.621 11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.301 -0.266 11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.920 -1.640 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.450 -2.973 12.654 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.080 -1.620 13.706 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.966 -1.487 14.630 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.703 -2.674 14.288 1.00 0.00 H new ATOM 478 N LEU A 31 7.187 -2.270 9.178 1.00 0.00 N ATOM 479 CA LEU A 31 7.293 -2.911 7.840 1.00 0.00 C ATOM 480 C LEU A 31 7.064 -4.423 7.905 1.00 0.00 C ATOM 481 O LEU A 31 7.851 -5.159 8.465 1.00 0.00 O ATOM 482 CB LEU A 31 8.725 -2.623 7.403 1.00 0.00 C ATOM 483 CG LEU A 31 9.047 -1.151 7.653 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.437 -0.839 7.103 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.004 -0.276 6.952 1.00 0.00 C ATOM 0 H LEU A 31 8.065 -2.194 9.691 1.00 0.00 H new ATOM 0 HA LEU A 31 6.540 -2.525 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.419 -3.257 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.849 -2.859 6.346 1.00 0.00 H new ATOM 0 HG LEU A 31 9.027 -0.946 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.671 0.211 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.176 -1.464 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.458 -1.040 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.232 0.775 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.023 -0.476 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.014 -0.504 7.346 1.00 0.00 H new ATOM 497 N GLN A 32 6.015 -4.891 7.291 1.00 0.00 N ATOM 498 CA GLN A 32 5.757 -6.355 7.265 1.00 0.00 C ATOM 499 C GLN A 32 6.125 -6.882 5.880 1.00 0.00 C ATOM 500 O GLN A 32 5.557 -6.478 4.884 1.00 0.00 O ATOM 501 CB GLN A 32 4.258 -6.515 7.522 1.00 0.00 C ATOM 502 CG GLN A 32 3.885 -7.995 7.430 1.00 0.00 C ATOM 503 CD GLN A 32 4.515 -8.755 8.597 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.311 -8.407 9.742 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.273 -9.788 8.354 1.00 0.00 N ATOM 0 H GLN A 32 5.323 -4.320 6.805 1.00 0.00 H new ATOM 0 HA GLN A 32 6.338 -6.904 8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.002 -6.124 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.689 -5.939 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.801 -8.109 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.231 -8.410 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.444 -10.080 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.695 -10.304 9.126 1.00 0.00 H new ATOM 514 N VAL A 33 7.082 -7.759 5.798 1.00 0.00 N ATOM 515 CA VAL A 33 7.485 -8.276 4.463 1.00 0.00 C ATOM 516 C VAL A 33 6.678 -9.520 4.098 1.00 0.00 C ATOM 517 O VAL A 33 6.597 -10.469 4.852 1.00 0.00 O ATOM 518 CB VAL A 33 8.965 -8.612 4.599 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.521 -9.022 3.233 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.710 -7.377 5.105 1.00 0.00 C ATOM 0 H VAL A 33 7.600 -8.139 6.591 1.00 0.00 H new ATOM 0 HA VAL A 33 7.303 -7.549 3.672 1.00 0.00 H new ATOM 0 HB VAL A 33 9.095 -9.434 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.580 -9.263 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.982 -9.896 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.398 -8.200 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.771 -7.608 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.582 -6.559 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.309 -7.082 6.075 1.00 0.00 H new ATOM 530 N CYS A 34 6.085 -9.518 2.940 1.00 0.00 N ATOM 531 CA CYS A 34 5.285 -10.697 2.512 1.00 0.00 C ATOM 532 C CYS A 34 6.009 -11.424 1.376 1.00 0.00 C ATOM 533 O CYS A 34 6.176 -10.899 0.294 1.00 0.00 O ATOM 534 CB CYS A 34 3.954 -10.116 2.033 1.00 0.00 C ATOM 535 SG CYS A 34 3.224 -9.122 3.360 1.00 0.00 S ATOM 0 H CYS A 34 6.119 -8.750 2.270 1.00 0.00 H new ATOM 0 HA CYS A 34 5.139 -11.423 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.110 -9.502 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.274 -10.919 1.749 1.00 0.00 H new ATOM 0 HG CYS A 34 2.463 -9.875 4.098 1.00 0.00 H new ATOM 541 N GLU A 35 6.454 -12.624 1.623 1.00 0.00 N ATOM 542 CA GLU A 35 7.178 -13.383 0.568 1.00 0.00 C ATOM 543 C GLU A 35 6.287 -13.594 -0.661 1.00 0.00 C ATOM 544 O GLU A 35 6.769 -13.680 -1.774 1.00 0.00 O ATOM 545 CB GLU A 35 7.542 -14.718 1.222 1.00 0.00 C ATOM 546 CG GLU A 35 8.545 -14.471 2.352 1.00 0.00 C ATOM 547 CD GLU A 35 8.978 -15.810 2.956 1.00 0.00 C ATOM 548 OE1 GLU A 35 9.823 -16.457 2.361 1.00 0.00 O ATOM 549 OE2 GLU A 35 8.461 -16.159 4.005 1.00 0.00 O ATOM 0 H GLU A 35 6.347 -13.112 2.512 1.00 0.00 H new ATOM 0 HA GLU A 35 8.061 -12.852 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.646 -15.200 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.970 -15.394 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.414 -13.935 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.095 -13.842 3.120 1.00 0.00 H new ATOM 556 N SER A 36 4.995 -13.680 -0.481 1.00 0.00 N ATOM 557 CA SER A 36 4.103 -13.887 -1.662 1.00 0.00 C ATOM 558 C SER A 36 3.082 -12.748 -1.769 1.00 0.00 C ATOM 559 O SER A 36 3.191 -11.741 -1.098 1.00 0.00 O ATOM 560 CB SER A 36 3.405 -15.223 -1.409 1.00 0.00 C ATOM 561 OG SER A 36 2.297 -15.022 -0.544 1.00 0.00 O ATOM 0 H SER A 36 4.522 -13.617 0.421 1.00 0.00 H new ATOM 0 HA SER A 36 4.659 -13.895 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.070 -15.655 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.103 -15.932 -0.964 1.00 0.00 H new ATOM 0 HG SER A 36 1.722 -15.816 -0.559 1.00 0.00 H new ATOM 567 N GLY A 37 2.081 -12.906 -2.596 1.00 0.00 N ATOM 568 CA GLY A 37 1.049 -11.844 -2.732 1.00 0.00 C ATOM 569 C GLY A 37 -0.144 -12.267 -1.897 1.00 0.00 C ATOM 570 O GLY A 37 -0.918 -11.458 -1.423 1.00 0.00 O ATOM 0 H GLY A 37 1.937 -13.728 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.437 -10.885 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.762 -11.718 -3.776 1.00 0.00 H new ATOM 574 N GLU A 38 -0.272 -13.546 -1.696 1.00 0.00 N ATOM 575 CA GLU A 38 -1.375 -14.076 -0.873 1.00 0.00 C ATOM 576 C GLU A 38 -1.087 -13.747 0.584 1.00 0.00 C ATOM 577 O GLU A 38 -1.963 -13.386 1.346 1.00 0.00 O ATOM 578 CB GLU A 38 -1.321 -15.580 -1.120 1.00 0.00 C ATOM 579 CG GLU A 38 -2.219 -15.939 -2.305 1.00 0.00 C ATOM 580 CD GLU A 38 -3.682 -15.930 -1.858 1.00 0.00 C ATOM 581 OE1 GLU A 38 -4.106 -14.928 -1.308 1.00 0.00 O ATOM 582 OE2 GLU A 38 -4.354 -16.926 -2.073 1.00 0.00 O ATOM 0 H GLU A 38 0.356 -14.254 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.355 -13.663 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.295 -15.889 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.646 -16.117 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.071 -15.226 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.952 -16.922 -2.692 1.00 0.00 H new ATOM 589 N MET A 39 0.155 -13.851 0.964 1.00 0.00 N ATOM 590 CA MET A 39 0.544 -13.533 2.359 1.00 0.00 C ATOM 591 C MET A 39 0.195 -12.078 2.671 1.00 0.00 C ATOM 592 O MET A 39 -0.243 -11.750 3.756 1.00 0.00 O ATOM 593 CB MET A 39 2.056 -13.762 2.395 1.00 0.00 C ATOM 594 CG MET A 39 2.331 -15.267 2.403 1.00 0.00 C ATOM 595 SD MET A 39 4.103 -15.568 2.187 1.00 0.00 S ATOM 596 CE MET A 39 4.050 -17.374 2.332 1.00 0.00 C ATOM 0 H MET A 39 0.922 -14.146 0.360 1.00 0.00 H new ATOM 0 HA MET A 39 0.027 -14.143 3.100 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.528 -13.298 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.487 -13.296 3.281 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.991 -15.703 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.770 -15.753 1.604 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.057 -17.777 2.227 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.649 -17.649 3.307 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.412 -17.783 1.549 1.00 0.00 H new ATOM 606 N LEU A 40 0.375 -11.204 1.717 1.00 0.00 N ATOM 607 CA LEU A 40 0.040 -9.771 1.944 1.00 0.00 C ATOM 608 C LEU A 40 -1.458 -9.635 2.230 1.00 0.00 C ATOM 609 O LEU A 40 -1.866 -8.916 3.120 1.00 0.00 O ATOM 610 CB LEU A 40 0.412 -9.070 0.628 1.00 0.00 C ATOM 611 CG LEU A 40 0.535 -7.550 0.828 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.495 -7.058 1.846 1.00 0.00 C ATOM 613 CD2 LEU A 40 1.941 -7.211 1.328 1.00 0.00 C ATOM 0 H LEU A 40 0.740 -11.422 0.790 1.00 0.00 H new ATOM 0 HA LEU A 40 0.569 -9.339 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.355 -9.468 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.345 -9.281 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 40 0.352 -7.057 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.393 -5.980 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.499 -7.287 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.328 -7.555 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.027 -6.134 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.122 -7.717 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.677 -7.541 0.595 1.00 0.00 H new ATOM 625 N LEU A 41 -2.283 -10.319 1.482 1.00 0.00 N ATOM 626 CA LEU A 41 -3.749 -10.222 1.717 1.00 0.00 C ATOM 627 C LEU A 41 -4.085 -10.712 3.126 1.00 0.00 C ATOM 628 O LEU A 41 -4.905 -10.139 3.814 1.00 0.00 O ATOM 629 CB LEU A 41 -4.378 -11.126 0.659 1.00 0.00 C ATOM 630 CG LEU A 41 -3.970 -10.630 -0.728 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.599 -11.523 -1.793 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.448 -9.188 -0.917 1.00 0.00 C ATOM 0 H LEU A 41 -2.004 -10.938 0.721 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.119 -9.199 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.051 -12.156 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.464 -11.120 0.756 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.885 -10.665 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.308 -11.170 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.254 -12.548 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.685 -11.490 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.157 -8.835 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.533 -9.149 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.995 -8.552 -0.157 1.00 0.00 H new ATOM 644 N GLU A 42 -3.448 -11.763 3.565 1.00 0.00 N ATOM 645 CA GLU A 42 -3.727 -12.282 4.934 1.00 0.00 C ATOM 646 C GLU A 42 -3.418 -11.200 5.970 1.00 0.00 C ATOM 647 O GLU A 42 -4.176 -10.976 6.893 1.00 0.00 O ATOM 648 CB GLU A 42 -2.777 -13.470 5.109 1.00 0.00 C ATOM 649 CG GLU A 42 -3.036 -14.146 6.457 1.00 0.00 C ATOM 650 CD GLU A 42 -3.771 -15.469 6.233 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.983 -15.436 6.090 1.00 0.00 O ATOM 652 OE2 GLU A 42 -3.109 -16.495 6.207 1.00 0.00 O ATOM 0 H GLU A 42 -2.748 -12.284 3.036 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.770 -12.571 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.921 -14.185 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.742 -13.131 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.093 -14.325 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.630 -13.492 7.096 1.00 0.00 H new ATOM 659 N TYR A 43 -2.313 -10.521 5.820 1.00 0.00 N ATOM 660 CA TYR A 43 -1.955 -9.448 6.791 1.00 0.00 C ATOM 661 C TYR A 43 -2.972 -8.306 6.717 1.00 0.00 C ATOM 662 O TYR A 43 -3.461 -7.833 7.723 1.00 0.00 O ATOM 663 CB TYR A 43 -0.570 -8.974 6.348 1.00 0.00 C ATOM 664 CG TYR A 43 -0.236 -7.659 7.010 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.769 -6.468 6.503 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.617 -7.627 8.121 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.452 -5.245 7.107 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.936 -6.404 8.723 1.00 0.00 C ATOM 669 CZ TYR A 43 0.402 -5.213 8.217 1.00 0.00 C ATOM 670 OH TYR A 43 0.718 -4.007 8.809 1.00 0.00 O ATOM 0 H TYR A 43 -1.642 -10.664 5.065 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.956 -9.799 7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.179 -9.722 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.545 -8.861 5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.425 -6.492 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.028 -8.546 8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.866 -4.327 6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.595 -6.379 9.579 1.00 0.00 H new ATOM 0 HH TYR A 43 1.320 -4.162 9.566 1.00 0.00 H new ATOM 680 N ALA A 44 -3.290 -7.859 5.533 1.00 0.00 N ATOM 681 CA ALA A 44 -4.270 -6.745 5.395 1.00 0.00 C ATOM 682 C ALA A 44 -5.705 -7.257 5.575 1.00 0.00 C ATOM 683 O ALA A 44 -6.593 -6.517 5.945 1.00 0.00 O ATOM 684 CB ALA A 44 -4.064 -6.218 3.975 1.00 0.00 C ATOM 0 H ALA A 44 -2.913 -8.217 4.655 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.120 -5.972 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.750 -5.392 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.038 -5.869 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.257 -7.017 3.259 1.00 0.00 H new ATOM 690 N GLN A 45 -5.938 -8.515 5.309 1.00 0.00 N ATOM 691 CA GLN A 45 -7.318 -9.068 5.458 1.00 0.00 C ATOM 692 C GLN A 45 -7.800 -8.959 6.903 1.00 0.00 C ATOM 693 O GLN A 45 -8.964 -9.157 7.191 1.00 0.00 O ATOM 694 CB GLN A 45 -7.201 -10.539 5.060 1.00 0.00 C ATOM 695 CG GLN A 45 -7.453 -10.678 3.563 1.00 0.00 C ATOM 696 CD GLN A 45 -6.946 -12.037 3.075 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.476 -12.839 3.856 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.026 -12.334 1.806 1.00 0.00 N ATOM 0 H GLN A 45 -5.234 -9.183 4.995 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.035 -8.522 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.210 -10.917 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.921 -11.137 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.518 -10.581 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.948 -9.876 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.421 -11.661 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.694 -13.239 1.472 1.00 0.00 H new ATOM 707 N THR A 46 -6.920 -8.676 7.815 1.00 0.00 N ATOM 708 CA THR A 46 -7.345 -8.589 9.240 1.00 0.00 C ATOM 709 C THR A 46 -6.776 -7.330 9.898 1.00 0.00 C ATOM 710 O THR A 46 -6.499 -7.315 11.078 1.00 0.00 O ATOM 711 CB THR A 46 -6.773 -9.854 9.887 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.392 -9.659 10.165 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.940 -11.038 8.926 1.00 0.00 C ATOM 0 H THR A 46 -5.930 -8.502 7.641 1.00 0.00 H new ATOM 0 HA THR A 46 -8.428 -8.524 9.350 1.00 0.00 H new ATOM 0 HB THR A 46 -7.305 -10.062 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.025 -10.467 10.581 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.533 -11.939 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.998 -11.186 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.407 -10.831 7.998 1.00 0.00 H new ATOM 721 N HIS A 47 -6.599 -6.278 9.144 1.00 0.00 N ATOM 722 CA HIS A 47 -6.043 -5.023 9.733 1.00 0.00 C ATOM 723 C HIS A 47 -6.040 -3.900 8.685 1.00 0.00 C ATOM 724 O HIS A 47 -5.217 -3.007 8.733 1.00 0.00 O ATOM 725 CB HIS A 47 -4.607 -5.380 10.124 1.00 0.00 C ATOM 726 CG HIS A 47 -4.486 -5.485 11.621 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.255 -5.473 12.261 1.00 0.00 N ATOM 728 CD2 HIS A 47 -5.423 -5.607 12.616 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.484 -5.585 13.582 1.00 0.00 C ATOM 730 NE2 HIS A 47 -4.789 -5.669 13.854 1.00 0.00 N ATOM 0 H HIS A 47 -6.814 -6.232 8.148 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.630 -4.669 10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.321 -6.325 9.662 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.921 -4.621 9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.491 -5.649 12.462 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.707 -5.605 14.332 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.227 -5.759 14.771 1.00 0.00 H new ATOM 738 N ARG A 48 -6.937 -3.947 7.730 1.00 0.00 N ATOM 739 CA ARG A 48 -6.958 -2.883 6.664 1.00 0.00 C ATOM 740 C ARG A 48 -6.724 -1.522 7.303 1.00 0.00 C ATOM 741 O ARG A 48 -5.820 -0.793 6.945 1.00 0.00 O ATOM 742 CB ARG A 48 -8.363 -2.886 6.027 1.00 0.00 C ATOM 743 CG ARG A 48 -8.996 -4.274 6.087 1.00 0.00 C ATOM 744 CD ARG A 48 -10.200 -4.335 5.143 1.00 0.00 C ATOM 745 NE ARG A 48 -10.560 -5.781 5.082 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.318 -6.316 6.006 1.00 0.00 C ATOM 747 NH1 ARG A 48 -11.779 -5.590 6.988 1.00 0.00 N ATOM 748 NH2 ARG A 48 -11.612 -7.585 5.945 1.00 0.00 N ATOM 0 H ARG A 48 -7.652 -4.668 7.638 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.185 -3.077 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.001 -2.170 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.295 -2.559 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.263 -5.031 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.310 -4.497 7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.029 -3.736 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.949 -3.947 4.156 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.213 -6.357 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.549 -4.598 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.369 -6.015 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.252 -8.156 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.202 -8.007 6.662 1.00 0.00 H new ATOM 762 N ASP A 49 -7.544 -1.188 8.254 1.00 0.00 N ATOM 763 CA ASP A 49 -7.401 0.122 8.952 1.00 0.00 C ATOM 764 C ASP A 49 -6.055 0.190 9.676 1.00 0.00 C ATOM 765 O ASP A 49 -5.454 1.238 9.793 1.00 0.00 O ATOM 766 CB ASP A 49 -8.553 0.163 9.958 1.00 0.00 C ATOM 767 CG ASP A 49 -8.642 1.560 10.572 1.00 0.00 C ATOM 768 OD1 ASP A 49 -8.904 2.495 9.832 1.00 0.00 O ATOM 769 OD2 ASP A 49 -8.444 1.676 11.771 1.00 0.00 O ATOM 0 H ASP A 49 -8.315 -1.769 8.583 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.433 0.964 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.491 -0.089 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.395 -0.580 10.739 1.00 0.00 H new ATOM 774 N GLN A 50 -5.583 -0.923 10.164 1.00 0.00 N ATOM 775 CA GLN A 50 -4.281 -0.931 10.887 1.00 0.00 C ATOM 776 C GLN A 50 -3.124 -0.739 9.905 1.00 0.00 C ATOM 777 O GLN A 50 -1.988 -0.571 10.298 1.00 0.00 O ATOM 778 CB GLN A 50 -4.208 -2.303 11.554 1.00 0.00 C ATOM 779 CG GLN A 50 -5.279 -2.395 12.644 1.00 0.00 C ATOM 780 CD GLN A 50 -5.041 -1.306 13.690 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.006 -1.274 14.325 1.00 0.00 O ATOM 782 NE2 GLN A 50 -5.961 -0.406 13.897 1.00 0.00 N ATOM 0 H GLN A 50 -6.044 -1.830 10.093 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.207 -0.123 11.615 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.359 -3.088 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.219 -2.458 11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.270 -2.281 12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.250 -3.378 13.114 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.830 -0.433 13.364 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.812 0.325 14.592 1.00 0.00 H new ATOM 791 N ILE A 51 -3.401 -0.755 8.629 1.00 0.00 N ATOM 792 CA ILE A 51 -2.306 -0.562 7.639 1.00 0.00 C ATOM 793 C ILE A 51 -2.243 0.909 7.230 1.00 0.00 C ATOM 794 O ILE A 51 -3.154 1.439 6.625 1.00 0.00 O ATOM 795 CB ILE A 51 -2.674 -1.447 6.444 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.033 -2.876 6.904 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.484 -1.517 5.487 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.380 -3.209 8.255 1.00 0.00 C ATOM 0 H ILE A 51 -4.331 -0.892 8.233 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.328 -0.829 8.040 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.541 -1.013 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.116 -2.972 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.706 -3.595 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.740 -2.146 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.238 -0.514 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.624 -1.941 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.652 -4.222 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.296 -3.137 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.728 -2.504 9.011 1.00 0.00 H new ATOM 810 N ASP A 52 -1.176 1.576 7.570 1.00 0.00 N ATOM 811 CA ASP A 52 -1.056 3.014 7.221 1.00 0.00 C ATOM 812 C ASP A 52 -0.564 3.186 5.784 1.00 0.00 C ATOM 813 O ASP A 52 -0.893 4.151 5.129 1.00 0.00 O ATOM 814 CB ASP A 52 -0.031 3.570 8.208 1.00 0.00 C ATOM 815 CG ASP A 52 -0.703 3.817 9.558 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.467 2.965 9.979 1.00 0.00 O ATOM 817 OD2 ASP A 52 -0.441 4.851 10.149 1.00 0.00 O ATOM 0 H ASP A 52 -0.381 1.184 8.076 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.014 3.531 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.795 2.868 8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.391 4.499 7.825 1.00 0.00 H new ATOM 822 N CYS A 53 0.232 2.273 5.291 1.00 0.00 N ATOM 823 CA CYS A 53 0.745 2.415 3.896 1.00 0.00 C ATOM 824 C CYS A 53 1.186 1.058 3.340 1.00 0.00 C ATOM 825 O CYS A 53 1.736 0.241 4.050 1.00 0.00 O ATOM 826 CB CYS A 53 1.952 3.343 4.038 1.00 0.00 C ATOM 827 SG CYS A 53 1.927 4.580 2.718 1.00 0.00 S ATOM 0 H CYS A 53 0.547 1.441 5.790 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.011 2.801 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.933 3.834 5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.875 2.765 3.991 1.00 0.00 H new ATOM 0 HG CYS A 53 1.123 4.190 1.773 1.00 0.00 H new ATOM 833 N LEU A 54 0.958 0.804 2.076 1.00 0.00 N ATOM 834 CA LEU A 54 1.388 -0.510 1.514 1.00 0.00 C ATOM 835 C LEU A 54 2.399 -0.315 0.379 1.00 0.00 C ATOM 836 O LEU A 54 2.290 0.600 -0.413 1.00 0.00 O ATOM 837 CB LEU A 54 0.116 -1.159 0.975 1.00 0.00 C ATOM 838 CG LEU A 54 0.464 -2.536 0.412 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.156 -3.620 1.292 1.00 0.00 C ATOM 840 CD2 LEU A 54 -0.082 -2.658 -1.011 1.00 0.00 C ATOM 0 H LEU A 54 0.501 1.437 1.420 1.00 0.00 H new ATOM 0 HA LEU A 54 1.875 -1.125 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.625 -1.253 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.326 -0.535 0.198 1.00 0.00 H new ATOM 0 HG LEU A 54 1.547 -2.658 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.093 -4.602 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.235 -3.534 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.239 -3.499 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.166 -3.640 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.165 -2.535 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.363 -1.886 -1.639 1.00 0.00 H new ATOM 852 N ILE A 55 3.381 -1.180 0.284 1.00 0.00 N ATOM 853 CA ILE A 55 4.386 -1.048 -0.811 1.00 0.00 C ATOM 854 C ILE A 55 4.165 -2.162 -1.833 1.00 0.00 C ATOM 855 O ILE A 55 3.993 -3.310 -1.476 1.00 0.00 O ATOM 856 CB ILE A 55 5.734 -1.217 -0.127 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.862 -0.204 1.002 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.860 -0.993 -1.141 1.00 0.00 C ATOM 859 CD1 ILE A 55 6.971 -0.659 1.941 1.00 0.00 C ATOM 0 H ILE A 55 3.527 -1.967 0.916 1.00 0.00 H new ATOM 0 HA ILE A 55 4.316 -0.097 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 55 5.807 -2.226 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.088 0.784 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.919 -0.120 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.824 -1.115 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.772 -1.719 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.787 0.015 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.075 0.058 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.723 -1.639 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.910 -0.722 1.391 1.00 0.00 H new ATOM 871 N LEU A 56 4.149 -1.842 -3.096 1.00 0.00 N ATOM 872 CA LEU A 56 3.912 -2.906 -4.109 1.00 0.00 C ATOM 873 C LEU A 56 4.895 -2.816 -5.273 1.00 0.00 C ATOM 874 O LEU A 56 5.363 -1.757 -5.641 1.00 0.00 O ATOM 875 CB LEU A 56 2.490 -2.662 -4.598 1.00 0.00 C ATOM 876 CG LEU A 56 1.506 -3.087 -3.511 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.076 -2.974 -4.042 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.792 -4.537 -3.111 1.00 0.00 C ATOM 0 H LEU A 56 4.288 -0.902 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 56 4.050 -3.899 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.351 -1.608 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.305 -3.225 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 56 1.619 -2.439 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.626 -3.278 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.125 -1.942 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.042 -3.622 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.092 -4.845 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.677 -5.184 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.811 -4.616 -2.732 1.00 0.00 H new ATOM 890 N VAL A 57 5.183 -3.940 -5.867 1.00 0.00 N ATOM 891 CA VAL A 57 6.107 -3.977 -7.033 1.00 0.00 C ATOM 892 C VAL A 57 5.297 -4.321 -8.288 1.00 0.00 C ATOM 893 O VAL A 57 4.655 -5.350 -8.356 1.00 0.00 O ATOM 894 CB VAL A 57 7.104 -5.090 -6.699 1.00 0.00 C ATOM 895 CG1 VAL A 57 7.999 -5.358 -7.909 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.968 -4.660 -5.511 1.00 0.00 C ATOM 0 H VAL A 57 4.811 -4.848 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 57 6.616 -3.031 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 57 6.559 -5.999 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.708 -6.151 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.384 -5.665 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.544 -4.450 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.678 -5.452 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.511 -3.750 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.331 -4.472 -4.647 1.00 0.00 H new ATOM 906 N ALA A 58 5.293 -3.462 -9.268 1.00 0.00 N ATOM 907 CA ALA A 58 4.487 -3.748 -10.495 1.00 0.00 C ATOM 908 C ALA A 58 5.240 -4.656 -11.465 1.00 0.00 C ATOM 909 O ALA A 58 4.710 -5.073 -12.476 1.00 0.00 O ATOM 910 CB ALA A 58 4.238 -2.388 -11.129 1.00 0.00 C ATOM 0 H ALA A 58 5.807 -2.581 -9.277 1.00 0.00 H new ATOM 0 HA ALA A 58 3.563 -4.270 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.650 -2.513 -12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.693 -1.754 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.192 -1.921 -11.375 1.00 0.00 H new ATOM 916 N ALA A 59 6.466 -4.970 -11.176 1.00 0.00 N ATOM 917 CA ALA A 59 7.233 -5.853 -12.095 1.00 0.00 C ATOM 918 C ALA A 59 6.701 -7.290 -12.015 1.00 0.00 C ATOM 919 O ALA A 59 7.057 -8.140 -12.807 1.00 0.00 O ATOM 920 CB ALA A 59 8.671 -5.774 -11.591 1.00 0.00 C ATOM 0 H ALA A 59 6.971 -4.656 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 59 7.149 -5.549 -13.138 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.310 -6.399 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.017 -4.741 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.715 -6.125 -10.560 1.00 0.00 H new ATOM 926 N ASN A 60 5.851 -7.565 -11.063 1.00 0.00 N ATOM 927 CA ASN A 60 5.293 -8.943 -10.928 1.00 0.00 C ATOM 928 C ASN A 60 4.113 -9.135 -11.891 1.00 0.00 C ATOM 929 O ASN A 60 3.552 -8.175 -12.380 1.00 0.00 O ATOM 930 CB ASN A 60 4.839 -9.038 -9.473 1.00 0.00 C ATOM 931 CG ASN A 60 6.066 -9.206 -8.573 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.894 -8.322 -8.486 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.218 -10.310 -7.894 1.00 0.00 N ATOM 0 H ASN A 60 5.518 -6.894 -10.371 1.00 0.00 H new ATOM 0 HA ASN A 60 6.020 -9.716 -11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.287 -8.141 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.161 -9.882 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.032 -10.430 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.523 -11.053 -7.966 1.00 0.00 H new ATOM 940 N PRO A 61 3.793 -10.377 -12.145 1.00 0.00 N ATOM 941 CA PRO A 61 2.690 -10.702 -13.078 1.00 0.00 C ATOM 942 C PRO A 61 1.322 -10.582 -12.397 1.00 0.00 C ATOM 943 O PRO A 61 0.604 -9.621 -12.591 1.00 0.00 O ATOM 944 CB PRO A 61 2.975 -12.148 -13.472 1.00 0.00 C ATOM 945 CG PRO A 61 3.779 -12.724 -12.345 1.00 0.00 C ATOM 946 CD PRO A 61 4.421 -11.580 -11.594 1.00 0.00 C ATOM 0 HA PRO A 61 2.649 -10.023 -13.930 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.049 -12.704 -13.617 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.526 -12.197 -14.411 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.140 -13.305 -11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.541 -13.403 -12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.246 -11.662 -10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.501 -11.566 -11.741 1.00 0.00 H new ATOM 954 N SER A 62 0.948 -11.555 -11.614 1.00 0.00 N ATOM 955 CA SER A 62 -0.383 -11.503 -10.940 1.00 0.00 C ATOM 956 C SER A 62 -0.410 -10.442 -9.831 1.00 0.00 C ATOM 957 O SER A 62 -1.395 -10.290 -9.138 1.00 0.00 O ATOM 958 CB SER A 62 -0.591 -12.899 -10.354 1.00 0.00 C ATOM 959 OG SER A 62 0.615 -13.339 -9.746 1.00 0.00 O ATOM 0 H SER A 62 1.505 -12.385 -11.410 1.00 0.00 H new ATOM 0 HA SER A 62 -1.172 -11.228 -11.640 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.396 -12.881 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.891 -13.594 -11.138 1.00 0.00 H new ATOM 0 HG SER A 62 0.483 -14.234 -9.368 1.00 0.00 H new ATOM 965 N PHE A 63 0.648 -9.700 -9.657 1.00 0.00 N ATOM 966 CA PHE A 63 0.640 -8.653 -8.595 1.00 0.00 C ATOM 967 C PHE A 63 -0.642 -7.820 -8.705 1.00 0.00 C ATOM 968 O PHE A 63 -1.326 -7.592 -7.729 1.00 0.00 O ATOM 969 CB PHE A 63 1.887 -7.799 -8.869 1.00 0.00 C ATOM 970 CG PHE A 63 1.648 -6.367 -8.439 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.331 -6.071 -7.107 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.730 -5.335 -9.381 1.00 0.00 C ATOM 973 CE1 PHE A 63 1.096 -4.746 -6.723 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.499 -4.010 -8.996 1.00 0.00 C ATOM 975 CZ PHE A 63 1.181 -3.715 -7.665 1.00 0.00 C ATOM 0 H PHE A 63 1.510 -9.771 -10.198 1.00 0.00 H new ATOM 0 HA PHE A 63 0.660 -9.069 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.742 -8.209 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.132 -7.831 -9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.268 -6.865 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.972 -5.562 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.848 -4.519 -5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.566 -3.216 -9.725 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.002 -2.693 -7.366 1.00 0.00 H new ATOM 985 N ARG A 64 -0.972 -7.366 -9.883 1.00 0.00 N ATOM 986 CA ARG A 64 -2.210 -6.554 -10.036 1.00 0.00 C ATOM 987 C ARG A 64 -3.396 -7.309 -9.435 1.00 0.00 C ATOM 988 O ARG A 64 -4.233 -6.741 -8.761 1.00 0.00 O ATOM 989 CB ARG A 64 -2.392 -6.384 -11.543 1.00 0.00 C ATOM 990 CG ARG A 64 -1.819 -5.034 -11.978 1.00 0.00 C ATOM 991 CD ARG A 64 -0.288 -5.081 -11.944 1.00 0.00 C ATOM 992 NE ARG A 64 0.137 -4.702 -13.322 1.00 0.00 N ATOM 993 CZ ARG A 64 0.185 -5.597 -14.275 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.099 -6.848 -14.027 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.528 -5.239 -15.480 1.00 0.00 N ATOM 0 H ARG A 64 -0.441 -7.521 -10.740 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.145 -5.592 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.889 -7.192 -12.074 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.449 -6.442 -11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.162 -4.791 -12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.182 -4.246 -11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.112 -4.389 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.071 -6.075 -11.679 1.00 0.00 H new ATOM 0 HE ARG A 64 0.393 -3.735 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.361 -7.134 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.059 -7.538 -14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.758 -4.265 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.567 -5.933 -16.227 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.468 -8.592 -9.667 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.592 -9.392 -9.104 1.00 0.00 C ATOM 1011 C ALA A 65 -4.557 -9.329 -7.576 1.00 0.00 C ATOM 1012 O ALA A 65 -5.578 -9.261 -6.921 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.347 -10.823 -9.593 1.00 0.00 C ATOM 0 H ALA A 65 -2.796 -9.121 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.568 -9.021 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.136 -11.475 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.348 -10.840 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.382 -11.173 -9.226 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.385 -9.346 -7.007 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.272 -9.283 -5.523 1.00 0.00 C ATOM 1021 C VAL A 66 -3.834 -7.956 -5.010 1.00 0.00 C ATOM 1022 O VAL A 66 -4.568 -7.912 -4.042 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.773 -9.374 -5.251 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.513 -9.333 -3.745 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.233 -10.682 -5.829 1.00 0.00 C ATOM 0 H VAL A 66 -2.498 -9.401 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.830 -10.075 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.269 -8.530 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.441 -9.398 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.896 -8.399 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.016 -10.173 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.162 -10.750 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.741 -11.524 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.410 -10.705 -6.904 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.500 -6.873 -5.656 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.028 -5.561 -5.198 1.00 0.00 C ATOM 1037 C VAL A 67 -5.540 -5.526 -5.412 1.00 0.00 C ATOM 1038 O VAL A 67 -6.283 -5.043 -4.581 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.324 -4.505 -6.051 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.451 -3.142 -5.367 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.842 -4.860 -6.199 1.00 0.00 C ATOM 0 H VAL A 67 -2.890 -6.841 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.844 -5.383 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.785 -4.471 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.951 -2.384 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.505 -2.885 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.988 -3.185 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.346 -4.104 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.376 -4.896 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.747 -5.833 -6.681 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.011 -6.065 -6.505 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.479 -6.083 -6.733 1.00 0.00 C ATOM 1053 C GLN A 68 -8.141 -6.762 -5.539 1.00 0.00 C ATOM 1054 O GLN A 68 -9.182 -6.351 -5.067 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.689 -6.908 -8.006 1.00 0.00 C ATOM 1056 CG GLN A 68 -7.225 -6.112 -9.229 1.00 0.00 C ATOM 1057 CD GLN A 68 -7.480 -6.929 -10.500 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -6.658 -6.954 -11.395 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -8.593 -7.600 -10.618 1.00 0.00 N ATOM 0 H GLN A 68 -5.447 -6.489 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.906 -5.086 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.134 -7.843 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.742 -7.169 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.758 -5.163 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.164 -5.877 -9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.283 -7.579 -9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.773 -8.145 -11.461 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.527 -7.796 -5.032 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.105 -8.492 -3.855 1.00 0.00 C ATOM 1070 C GLN A 69 -8.176 -7.522 -2.673 1.00 0.00 C ATOM 1071 O GLN A 69 -9.161 -7.466 -1.965 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.145 -9.646 -3.564 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.682 -10.477 -2.403 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.010 -11.888 -2.895 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -7.493 -12.858 -2.378 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.853 -12.044 -3.880 1.00 0.00 N ATOM 0 H GLN A 69 -6.652 -8.186 -5.383 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.118 -8.855 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.032 -10.271 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.156 -9.257 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.944 -10.522 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.574 -10.008 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.287 -11.229 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.078 -12.981 -4.216 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.144 -6.746 -2.461 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.178 -5.777 -1.327 1.00 0.00 C ATOM 1087 C LEU A 70 -8.422 -4.893 -1.449 1.00 0.00 C ATOM 1088 O LEU A 70 -9.147 -4.695 -0.495 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.906 -4.936 -1.467 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.759 -5.608 -0.707 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.530 -5.691 -1.609 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.408 -4.784 0.534 1.00 0.00 C ATOM 0 H LEU A 70 -6.289 -6.741 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.221 -6.274 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.644 -4.827 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.076 -3.933 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.068 -6.609 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.713 -6.169 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.769 -6.276 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.229 -4.687 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.591 -5.266 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.102 -3.783 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.280 -4.716 1.184 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.679 -4.370 -2.618 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.883 -3.511 -2.797 1.00 0.00 C ATOM 1106 C CYS A 71 -11.154 -4.356 -2.662 1.00 0.00 C ATOM 1107 O CYS A 71 -12.131 -3.933 -2.080 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.760 -2.942 -4.209 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.236 -1.975 -4.341 1.00 0.00 S ATOM 0 H CYS A 71 -8.109 -4.500 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.945 -2.721 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.754 -3.751 -4.939 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.622 -2.315 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.375 -2.399 -3.464 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.147 -5.550 -3.196 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.358 -6.412 -3.090 1.00 0.00 C ATOM 1117 C PHE A 72 -12.765 -6.552 -1.624 1.00 0.00 C ATOM 1118 O PHE A 72 -13.906 -6.345 -1.265 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.943 -7.766 -3.666 1.00 0.00 C ATOM 1120 CG PHE A 72 -13.088 -8.742 -3.524 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.056 -8.839 -4.531 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.182 -9.549 -2.382 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.115 -9.743 -4.399 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.243 -10.453 -2.252 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.210 -10.550 -3.259 1.00 0.00 C ATOM 0 H PHE A 72 -10.360 -5.962 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.212 -5.995 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.669 -7.659 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.063 -8.142 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.985 -8.216 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.437 -9.474 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.860 -9.819 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.315 -11.077 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.029 -11.247 -3.157 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.837 -6.884 -0.769 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.176 -7.013 0.675 1.00 0.00 C ATOM 1137 C GLU A 73 -12.472 -5.623 1.240 1.00 0.00 C ATOM 1138 O GLU A 73 -13.182 -5.469 2.215 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.932 -7.611 1.333 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.474 -8.835 0.539 1.00 0.00 C ATOM 1141 CD GLU A 73 -9.604 -9.726 1.426 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -8.414 -9.469 1.504 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -10.141 -10.655 2.007 1.00 0.00 O ATOM 0 H GLU A 73 -10.863 -7.071 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.052 -7.638 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.135 -6.869 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.152 -7.894 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.339 -9.394 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.912 -8.521 -0.341 1.00 0.00 H new ATOM 1150 N GLY A 74 -11.928 -4.607 0.625 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.169 -3.219 1.109 1.00 0.00 C ATOM 1152 C GLY A 74 -10.888 -2.659 1.734 1.00 0.00 C ATOM 1153 O GLY A 74 -10.910 -1.655 2.418 1.00 0.00 O ATOM 0 H GLY A 74 -11.325 -4.680 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.488 -2.586 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.975 -3.215 1.843 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.772 -3.296 1.506 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.496 -2.788 2.091 1.00 0.00 C ATOM 1159 C VAL A 75 -7.880 -1.723 1.181 1.00 0.00 C ATOM 1160 O VAL A 75 -7.142 -2.030 0.264 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.580 -4.009 2.174 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.324 -3.650 2.968 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.313 -5.153 2.877 1.00 0.00 C ATOM 0 H VAL A 75 -9.687 -4.142 0.943 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.650 -2.325 3.066 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.301 -4.320 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.670 -4.520 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.799 -2.835 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.606 -3.338 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.659 -6.023 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.593 -4.842 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.210 -5.411 2.314 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.167 -0.474 1.431 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.587 0.610 0.584 1.00 0.00 C ATOM 1175 C VAL A 76 -6.617 1.453 1.423 1.00 0.00 C ATOM 1176 O VAL A 76 -6.990 2.048 2.415 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.787 1.446 0.119 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.392 2.289 -1.097 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -9.936 0.516 -0.280 1.00 0.00 C ATOM 0 H VAL A 76 -8.777 -0.157 2.184 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.023 0.225 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.101 2.098 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.248 2.881 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.572 2.955 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.075 1.633 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.788 1.111 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.612 -0.135 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.228 -0.091 0.577 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.371 1.495 1.035 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.357 2.282 1.806 1.00 0.00 C ATOM 1191 C VAL A 77 -3.474 3.075 0.854 1.00 0.00 C ATOM 1192 O VAL A 77 -3.445 2.802 -0.324 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.486 1.241 2.512 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.183 0.739 3.773 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.224 0.067 1.559 1.00 0.00 C ATOM 0 H VAL A 77 -5.007 1.016 0.212 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.837 2.977 2.495 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.538 1.699 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.553 -0.001 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.358 1.576 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.136 0.284 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.604 -0.676 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.172 -0.386 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.710 0.429 0.669 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.729 3.994 1.400 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.792 4.770 0.569 1.00 0.00 C ATOM 1207 C PRO A 78 -0.724 3.803 0.090 1.00 0.00 C ATOM 1208 O PRO A 78 0.323 3.654 0.691 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.230 5.817 1.523 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.416 5.226 2.880 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.665 4.382 2.811 1.00 0.00 C ATOM 0 HA PRO A 78 -2.229 5.248 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.178 6.017 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.759 6.765 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.554 4.621 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.517 6.007 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.600 3.513 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.548 4.944 3.115 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.011 3.101 -0.959 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.053 2.091 -1.457 1.00 0.00 C ATOM 1221 C ALA A 79 0.897 2.700 -2.481 1.00 0.00 C ATOM 1222 O ALA A 79 0.490 3.341 -3.429 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.944 1.032 -2.099 1.00 0.00 C ATOM 0 H ALA A 79 -1.874 3.184 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 79 0.582 1.686 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.324 0.231 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.622 0.624 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.523 1.484 -2.904 1.00 0.00 H new ATOM 1229 N ILE A 80 2.167 2.496 -2.286 1.00 0.00 N ATOM 1230 CA ILE A 80 3.170 3.046 -3.230 1.00 0.00 C ATOM 1231 C ILE A 80 3.594 1.939 -4.202 1.00 0.00 C ATOM 1232 O ILE A 80 3.973 0.859 -3.797 1.00 0.00 O ATOM 1233 CB ILE A 80 4.323 3.494 -2.328 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.762 4.407 -1.228 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.353 4.264 -3.154 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.784 4.568 -0.101 1.00 0.00 C ATOM 0 H ILE A 80 2.555 1.967 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 80 2.805 3.872 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 80 4.803 2.623 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.515 5.383 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.837 3.986 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.172 4.582 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.741 3.620 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.881 5.140 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.374 5.218 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.010 3.592 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.698 5.010 -0.499 1.00 0.00 H new ATOM 1248 N VAL A 81 3.495 2.189 -5.482 1.00 0.00 N ATOM 1249 CA VAL A 81 3.854 1.137 -6.481 1.00 0.00 C ATOM 1250 C VAL A 81 5.193 1.452 -7.161 1.00 0.00 C ATOM 1251 O VAL A 81 5.533 2.596 -7.392 1.00 0.00 O ATOM 1252 CB VAL A 81 2.712 1.170 -7.498 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.925 0.074 -8.543 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.381 0.932 -6.776 1.00 0.00 C ATOM 0 H VAL A 81 3.182 3.075 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 81 3.974 0.157 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 81 2.693 2.142 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.111 0.098 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.872 0.240 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.944 -0.899 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.566 0.955 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.403 -0.041 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.227 1.712 -6.030 1.00 0.00 H new ATOM 1264 N VAL A 82 5.955 0.438 -7.476 1.00 0.00 N ATOM 1265 CA VAL A 82 7.278 0.662 -8.137 1.00 0.00 C ATOM 1266 C VAL A 82 7.324 -0.055 -9.489 1.00 0.00 C ATOM 1267 O VAL A 82 6.553 -0.955 -9.750 1.00 0.00 O ATOM 1268 CB VAL A 82 8.322 0.045 -7.200 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.659 0.767 -7.387 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.874 0.182 -5.744 1.00 0.00 C ATOM 0 H VAL A 82 5.719 -0.539 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 82 7.458 1.722 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 82 8.433 -1.013 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.404 0.331 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.988 0.661 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.538 1.824 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.625 -0.260 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.754 1.237 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.923 -0.333 -5.606 1.00 0.00 H new ATOM 1280 N GLY A 83 8.237 0.320 -10.342 1.00 0.00 N ATOM 1281 CA GLY A 83 8.346 -0.360 -11.663 1.00 0.00 C ATOM 1282 C GLY A 83 7.319 0.206 -12.646 1.00 0.00 C ATOM 1283 O GLY A 83 6.688 -0.526 -13.383 1.00 0.00 O ATOM 0 H GLY A 83 8.912 1.068 -10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.351 -0.229 -12.064 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.188 -1.432 -11.541 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.392 -0.904 -10.963 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.479 -1.501 -9.952 1.00 0.00 C ATOM 1494 C LEU A 98 -3.153 -1.445 -8.587 1.00 0.00 C ATOM 1495 O LEU A 98 -3.053 -2.352 -7.787 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.231 -0.618 -9.974 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.611 -0.641 -11.372 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.712 0.120 -11.355 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.350 -2.086 -11.781 1.00 0.00 C ATOM 0 HA LEU A 98 -2.233 -2.542 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.491 0.404 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.509 -0.973 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.294 -0.172 -12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.154 0.104 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.534 1.152 -11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.394 -0.352 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.092 -2.108 -12.777 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.335 -2.547 -11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.290 -2.637 -11.789 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.851 -0.377 -8.332 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.560 -0.228 -7.031 1.00 0.00 C ATOM 1513 C TYR A 99 -5.622 0.874 -7.154 1.00 0.00 C ATOM 1514 O TYR A 99 -6.333 0.941 -8.135 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.476 0.158 -6.022 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.857 -0.328 -4.641 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.206 -0.457 -4.281 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.855 -0.642 -3.712 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.548 -0.903 -2.996 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.198 -1.086 -2.429 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.546 -1.214 -2.071 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.887 -1.647 -0.805 1.00 0.00 O ATOM 0 H TYR A 99 -3.963 0.407 -8.975 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.075 -1.138 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.521 -0.276 -6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.345 1.240 -6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.981 -0.213 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.815 -0.541 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.587 -1.006 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.424 -1.329 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.860 -1.606 -0.696 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.740 1.745 -6.182 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.765 2.830 -6.295 1.00 0.00 C ATOM 1534 C HIS A 100 -6.156 4.080 -6.950 1.00 0.00 C ATOM 1535 O HIS A 100 -5.002 4.095 -7.328 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.248 3.123 -4.867 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.082 3.273 -3.933 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.398 4.480 -3.781 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.470 2.389 -3.080 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.425 4.291 -2.870 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.447 3.045 -2.434 1.00 0.00 N ATOM 0 H HIS A 100 -5.181 1.754 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.600 2.526 -6.926 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.846 4.034 -4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.894 2.315 -4.523 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.745 1.354 -2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.728 5.048 -2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.817 2.640 -1.741 1.00 0.00 H new ATOM 1549 N SER A 101 -6.933 5.119 -7.114 1.00 0.00 N ATOM 1550 CA SER A 101 -6.411 6.357 -7.772 1.00 0.00 C ATOM 1551 C SER A 101 -5.587 7.202 -6.792 1.00 0.00 C ATOM 1552 O SER A 101 -5.205 8.317 -7.090 1.00 0.00 O ATOM 1553 CB SER A 101 -7.663 7.117 -8.216 1.00 0.00 C ATOM 1554 OG SER A 101 -8.434 7.463 -7.073 1.00 0.00 O ATOM 0 H SER A 101 -7.909 5.165 -6.820 1.00 0.00 H new ATOM 0 HA SER A 101 -5.746 6.125 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.381 8.016 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.254 6.502 -8.895 1.00 0.00 H new ATOM 0 HG SER A 101 -9.236 7.951 -7.355 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.313 6.687 -5.628 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.518 7.469 -4.635 1.00 0.00 C ATOM 1562 C ALA A 102 -3.111 6.879 -4.460 1.00 0.00 C ATOM 1563 O ALA A 102 -2.184 7.580 -4.109 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.304 7.372 -3.328 1.00 0.00 C ATOM 0 H ALA A 102 -5.603 5.760 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.379 8.501 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.781 7.924 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.298 7.796 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.394 6.326 -3.034 1.00 0.00 H new ATOM 1570 N GLU A 103 -2.936 5.601 -4.692 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.582 5.000 -4.524 1.00 0.00 C ATOM 1572 C GLU A 103 -0.535 5.845 -5.248 1.00 0.00 C ATOM 1573 O GLU A 103 -0.759 6.324 -6.342 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.675 3.613 -5.168 1.00 0.00 C ATOM 1575 CG GLU A 103 -2.395 3.719 -6.513 1.00 0.00 C ATOM 1576 CD GLU A 103 -1.540 3.079 -7.610 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -0.327 3.124 -7.492 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -2.114 2.554 -8.551 1.00 0.00 O ATOM 0 H GLU A 103 -3.667 4.955 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.287 4.947 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.677 3.199 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.212 2.930 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.364 3.222 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.587 4.765 -6.752 1.00 0.00 H new ATOM 1585 N LEU A 104 0.614 6.020 -4.656 1.00 0.00 N ATOM 1586 CA LEU A 104 1.679 6.819 -5.325 1.00 0.00 C ATOM 1587 C LEU A 104 2.634 5.876 -6.058 1.00 0.00 C ATOM 1588 O LEU A 104 2.799 4.733 -5.680 1.00 0.00 O ATOM 1589 CB LEU A 104 2.406 7.557 -4.203 1.00 0.00 C ATOM 1590 CG LEU A 104 1.798 8.949 -4.031 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.405 8.826 -3.417 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.689 9.781 -3.109 1.00 0.00 C ATOM 0 H LEU A 104 0.861 5.645 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 104 1.277 7.517 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.325 6.996 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.468 7.638 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 104 1.723 9.436 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.028 9.819 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.231 8.231 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.478 8.340 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.257 10.774 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.763 9.293 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.683 9.870 -3.547 1.00 0.00 H new ATOM 1604 N HIS A 105 3.260 6.334 -7.102 1.00 0.00 N ATOM 1605 CA HIS A 105 4.196 5.446 -7.846 1.00 0.00 C ATOM 1606 C HIS A 105 5.643 5.815 -7.522 1.00 0.00 C ATOM 1607 O HIS A 105 5.959 6.959 -7.260 1.00 0.00 O ATOM 1608 CB HIS A 105 3.897 5.694 -9.325 1.00 0.00 C ATOM 1609 CG HIS A 105 2.459 5.360 -9.609 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.752 5.968 -10.633 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.586 4.479 -9.019 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.512 5.447 -10.632 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.356 4.536 -9.668 1.00 0.00 N ATOM 0 H HIS A 105 3.166 7.280 -7.473 1.00 0.00 H new ATOM 0 HA HIS A 105 4.067 4.397 -7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.096 6.735 -9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.553 5.084 -9.947 1.00 0.00 H new ATOM 0 HD1 HIS A 105 2.107 6.680 -11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.818 3.840 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.264 5.731 -11.327 1.00 0.00 H new ATOM 1621 N LEU A 106 6.525 4.856 -7.536 1.00 0.00 N ATOM 1622 CA LEU A 106 7.952 5.152 -7.229 1.00 0.00 C ATOM 1623 C LEU A 106 8.855 4.555 -8.310 1.00 0.00 C ATOM 1624 O LEU A 106 8.763 3.386 -8.634 1.00 0.00 O ATOM 1625 CB LEU A 106 8.215 4.489 -5.876 1.00 0.00 C ATOM 1626 CG LEU A 106 9.648 4.789 -5.435 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.825 6.299 -5.268 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.923 4.094 -4.101 1.00 0.00 C ATOM 0 H LEU A 106 6.320 3.879 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 106 8.157 6.222 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.509 4.860 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.063 3.412 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 106 10.345 4.423 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.846 6.513 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.626 6.796 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.129 6.666 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.944 4.306 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.226 4.462 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.796 3.018 -4.218 1.00 0.00 H new ATOM 1640 N GLY A 107 9.727 5.348 -8.869 1.00 0.00 N ATOM 1641 CA GLY A 107 10.635 4.827 -9.928 1.00 0.00 C ATOM 1642 C GLY A 107 11.525 3.735 -9.340 1.00 0.00 C ATOM 1643 O GLY A 107 11.952 3.813 -8.206 1.00 0.00 O ATOM 0 H GLY A 107 9.850 6.334 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.052 4.429 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.248 5.635 -10.327 1.00 0.00 H new ATOM 1647 N ILE A 108 11.806 2.712 -10.098 1.00 0.00 N ATOM 1648 CA ILE A 108 12.658 1.615 -9.590 1.00 0.00 C ATOM 1649 C ILE A 108 13.998 2.152 -9.080 1.00 0.00 C ATOM 1650 O ILE A 108 14.516 1.706 -8.076 1.00 0.00 O ATOM 1651 CB ILE A 108 12.887 0.745 -10.814 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.561 0.153 -11.295 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.841 -0.368 -10.441 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.752 -0.446 -12.692 1.00 0.00 C ATOM 0 H ILE A 108 11.476 2.593 -11.056 1.00 0.00 H new ATOM 0 HA ILE A 108 12.198 1.084 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 108 13.309 1.346 -11.620 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.219 -0.615 -10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.792 0.925 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.017 -1.003 -11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.786 0.060 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.408 -0.964 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.809 -0.869 -13.039 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.075 0.334 -13.381 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.508 -1.230 -12.651 1.00 0.00 H new ATOM 1666 N HIS A 109 14.566 3.097 -9.772 1.00 0.00 N ATOM 1667 CA HIS A 109 15.881 3.653 -9.333 1.00 0.00 C ATOM 1668 C HIS A 109 15.659 4.744 -8.286 1.00 0.00 C ATOM 1669 O HIS A 109 16.595 5.335 -7.784 1.00 0.00 O ATOM 1670 CB HIS A 109 16.539 4.257 -10.588 1.00 0.00 C ATOM 1671 CG HIS A 109 16.064 3.563 -11.842 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.697 2.224 -11.861 1.00 0.00 N ATOM 1673 CD2 HIS A 109 15.891 4.015 -13.128 1.00 0.00 C ATOM 1674 CE1 HIS A 109 15.327 1.923 -13.119 1.00 0.00 C ATOM 1675 NE2 HIS A 109 15.427 2.978 -13.932 1.00 0.00 N ATOM 0 H HIS A 109 14.181 3.510 -10.621 1.00 0.00 H new ATOM 0 HA HIS A 109 16.510 2.882 -8.888 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.307 5.320 -10.648 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.623 4.171 -10.510 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.086 5.023 -13.464 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.990 0.946 -13.433 1.00 0.00 H new ATOM 0 HE2 HIS A 109 15.210 3.016 -14.928 1.00 0.00 H new ATOM 1683 N GLN A 110 14.428 5.022 -7.957 1.00 0.00 N ATOM 1684 CA GLN A 110 14.153 6.083 -6.947 1.00 0.00 C ATOM 1685 C GLN A 110 13.793 5.466 -5.600 1.00 0.00 C ATOM 1686 O GLN A 110 13.076 6.054 -4.815 1.00 0.00 O ATOM 1687 CB GLN A 110 12.970 6.870 -7.506 1.00 0.00 C ATOM 1688 CG GLN A 110 13.424 7.695 -8.710 1.00 0.00 C ATOM 1689 CD GLN A 110 12.198 8.212 -9.465 1.00 0.00 C ATOM 1690 OE1 GLN A 110 12.042 7.952 -10.642 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.314 8.936 -8.835 1.00 0.00 N ATOM 0 H GLN A 110 13.603 4.562 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 110 15.024 6.716 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.173 6.187 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.561 7.525 -6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.040 8.531 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.041 7.085 -9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.444 9.155 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.493 9.283 -9.330 1.00 0.00 H new ATOM 1700 N LEU A 111 14.282 4.294 -5.316 1.00 0.00 N ATOM 1701 CA LEU A 111 13.955 3.668 -4.009 1.00 0.00 C ATOM 1702 C LEU A 111 14.609 4.460 -2.886 1.00 0.00 C ATOM 1703 O LEU A 111 15.795 4.376 -2.641 1.00 0.00 O ATOM 1704 CB LEU A 111 14.507 2.239 -4.082 1.00 0.00 C ATOM 1705 CG LEU A 111 13.533 1.282 -4.808 1.00 0.00 C ATOM 1706 CD1 LEU A 111 13.249 0.091 -3.901 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.198 1.964 -5.144 1.00 0.00 C ATOM 0 H LEU A 111 14.889 3.747 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 111 12.884 3.657 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.465 2.246 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.695 1.870 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 111 14.003 0.972 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.563 -0.592 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.181 -0.429 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.799 0.441 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.545 1.255 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.720 2.301 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.380 2.820 -5.793 1.00 0.00 H new ATOM 1719 N GLU A 112 13.813 5.237 -2.217 1.00 0.00 N ATOM 1720 CA GLU A 112 14.309 6.085 -1.097 1.00 0.00 C ATOM 1721 C GLU A 112 13.223 7.096 -0.725 1.00 0.00 C ATOM 1722 O GLU A 112 13.172 7.591 0.385 1.00 0.00 O ATOM 1723 CB GLU A 112 15.535 6.810 -1.647 1.00 0.00 C ATOM 1724 CG GLU A 112 15.216 7.350 -3.041 1.00 0.00 C ATOM 1725 CD GLU A 112 16.246 8.413 -3.428 1.00 0.00 C ATOM 1726 OE1 GLU A 112 16.657 9.158 -2.555 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.606 8.466 -4.594 1.00 0.00 O ATOM 0 H GLU A 112 12.814 5.324 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 112 14.555 5.505 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.817 7.627 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.385 6.129 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.226 6.538 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.214 7.778 -3.056 1.00 0.00 H new ATOM 1734 N GLN A 113 12.358 7.410 -1.657 1.00 0.00 N ATOM 1735 CA GLN A 113 11.265 8.390 -1.382 1.00 0.00 C ATOM 1736 C GLN A 113 10.104 7.709 -0.657 1.00 0.00 C ATOM 1737 O GLN A 113 9.143 8.339 -0.296 1.00 0.00 O ATOM 1738 CB GLN A 113 10.812 8.871 -2.759 1.00 0.00 C ATOM 1739 CG GLN A 113 11.875 9.795 -3.355 1.00 0.00 C ATOM 1740 CD GLN A 113 11.519 10.109 -4.808 1.00 0.00 C ATOM 1741 OE1 GLN A 113 10.416 9.846 -5.248 1.00 0.00 O ATOM 1742 NE2 GLN A 113 12.413 10.662 -5.579 1.00 0.00 N ATOM 0 H GLN A 113 12.363 7.027 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 113 11.602 9.208 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.647 8.018 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.862 9.399 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.936 10.717 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.855 9.321 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.338 10.883 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.187 10.874 -6.551 1.00 0.00 H new ATOM 1751 N LEU A 114 10.177 6.425 -0.449 1.00 0.00 N ATOM 1752 CA LEU A 114 9.057 5.725 0.243 1.00 0.00 C ATOM 1753 C LEU A 114 8.628 6.473 1.512 1.00 0.00 C ATOM 1754 O LEU A 114 7.452 6.638 1.736 1.00 0.00 O ATOM 1755 CB LEU A 114 9.587 4.340 0.589 1.00 0.00 C ATOM 1756 CG LEU A 114 9.837 3.550 -0.694 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.335 3.503 -0.978 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.305 2.126 -0.524 1.00 0.00 C ATOM 0 H LEU A 114 10.959 5.831 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 114 8.173 5.674 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.511 4.426 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 114 8.870 3.813 1.219 1.00 0.00 H new ATOM 0 HG LEU A 114 9.325 4.034 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.514 2.939 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.715 4.518 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.848 3.018 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.482 1.560 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.818 1.643 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.235 2.159 -0.320 1.00 0.00 H new ATOM 1770 N PRO A 115 9.571 6.912 2.314 1.00 0.00 N ATOM 1771 CA PRO A 115 9.198 7.645 3.551 1.00 0.00 C ATOM 1772 C PRO A 115 8.504 8.952 3.167 1.00 0.00 C ATOM 1773 O PRO A 115 7.379 9.204 3.551 1.00 0.00 O ATOM 1774 CB PRO A 115 10.536 7.881 4.252 1.00 0.00 C ATOM 1775 CG PRO A 115 11.547 7.809 3.158 1.00 0.00 C ATOM 1776 CD PRO A 115 11.028 6.789 2.178 1.00 0.00 C ATOM 0 HA PRO A 115 8.502 7.111 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.558 8.850 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.723 7.126 5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.674 8.780 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.522 7.515 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.358 7.002 1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.373 5.784 2.421 1.00 0.00 H new ATOM 1784 N TYR A 116 9.148 9.768 2.381 1.00 0.00 N ATOM 1785 CA TYR A 116 8.496 11.030 1.941 1.00 0.00 C ATOM 1786 C TYR A 116 7.241 10.662 1.137 1.00 0.00 C ATOM 1787 O TYR A 116 6.215 11.308 1.224 1.00 0.00 O ATOM 1788 CB TYR A 116 9.576 11.744 1.104 1.00 0.00 C ATOM 1789 CG TYR A 116 9.098 12.038 -0.299 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.080 12.971 -0.512 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.693 11.388 -1.384 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.653 13.252 -1.815 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.268 11.665 -2.686 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.247 12.600 -2.903 1.00 0.00 C ATOM 1795 OH TYR A 116 7.828 12.879 -4.188 1.00 0.00 O ATOM 0 H TYR A 116 10.092 9.616 2.026 1.00 0.00 H new ATOM 0 HA TYR A 116 8.160 11.683 2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.858 12.676 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.471 11.123 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.623 13.474 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.482 10.671 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.865 13.972 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.726 11.159 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 116 8.344 12.341 -4.824 1.00 0.00 H new ATOM 1805 N GLN A 117 7.319 9.598 0.387 1.00 0.00 N ATOM 1806 CA GLN A 117 6.145 9.132 -0.401 1.00 0.00 C ATOM 1807 C GLN A 117 5.071 8.630 0.562 1.00 0.00 C ATOM 1808 O GLN A 117 3.895 8.845 0.371 1.00 0.00 O ATOM 1809 CB GLN A 117 6.665 7.973 -1.258 1.00 0.00 C ATOM 1810 CG GLN A 117 7.476 8.516 -2.438 1.00 0.00 C ATOM 1811 CD GLN A 117 6.543 8.764 -3.625 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.800 7.888 -4.023 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.549 9.930 -4.212 1.00 0.00 N ATOM 0 H GLN A 117 8.157 9.025 0.286 1.00 0.00 H new ATOM 0 HA GLN A 117 5.711 9.921 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.286 7.313 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.829 7.377 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.976 9.442 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.255 7.806 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.172 10.666 -3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.931 10.105 -5.004 1.00 0.00 H new ATOM 1822 N VAL A 118 5.488 7.963 1.602 1.00 0.00 N ATOM 1823 CA VAL A 118 4.522 7.437 2.606 1.00 0.00 C ATOM 1824 C VAL A 118 3.750 8.598 3.232 1.00 0.00 C ATOM 1825 O VAL A 118 2.534 8.600 3.265 1.00 0.00 O ATOM 1826 CB VAL A 118 5.400 6.716 3.643 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.764 6.788 5.037 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.547 5.246 3.243 1.00 0.00 C ATOM 0 H VAL A 118 6.467 7.758 1.801 1.00 0.00 H new ATOM 0 HA VAL A 118 3.777 6.765 2.179 1.00 0.00 H new ATOM 0 HB VAL A 118 6.375 7.203 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.401 6.272 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.654 7.831 5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.784 6.312 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.169 4.730 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.563 4.778 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.014 5.181 2.260 1.00 0.00 H new ATOM 1838 N ASP A 119 4.441 9.593 3.716 1.00 0.00 N ATOM 1839 CA ASP A 119 3.729 10.749 4.324 1.00 0.00 C ATOM 1840 C ASP A 119 2.878 11.429 3.251 1.00 0.00 C ATOM 1841 O ASP A 119 1.753 11.822 3.491 1.00 0.00 O ATOM 1842 CB ASP A 119 4.835 11.677 4.830 1.00 0.00 C ATOM 1843 CG ASP A 119 5.542 11.011 6.012 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.161 9.904 6.355 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.453 11.617 6.552 1.00 0.00 O ATOM 0 H ASP A 119 5.459 9.655 3.717 1.00 0.00 H new ATOM 0 HA ASP A 119 3.058 10.464 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.548 11.883 4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.413 12.635 5.135 1.00 0.00 H new ATOM 1850 N ALA A 120 3.400 11.542 2.059 1.00 0.00 N ATOM 1851 CA ALA A 120 2.613 12.166 0.960 1.00 0.00 C ATOM 1852 C ALA A 120 1.481 11.220 0.554 1.00 0.00 C ATOM 1853 O ALA A 120 0.370 11.637 0.292 1.00 0.00 O ATOM 1854 CB ALA A 120 3.606 12.349 -0.191 1.00 0.00 C ATOM 0 H ALA A 120 4.336 11.229 1.801 1.00 0.00 H new ATOM 0 HA ALA A 120 2.161 13.115 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.098 12.805 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.423 12.994 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.005 11.378 -0.485 1.00 0.00 H new ATOM 1860 N ALA A 121 1.759 9.943 0.510 1.00 0.00 N ATOM 1861 CA ALA A 121 0.708 8.959 0.135 1.00 0.00 C ATOM 1862 C ALA A 121 -0.436 9.014 1.152 1.00 0.00 C ATOM 1863 O ALA A 121 -1.585 8.805 0.818 1.00 0.00 O ATOM 1864 CB ALA A 121 1.413 7.599 0.172 1.00 0.00 C ATOM 0 H ALA A 121 2.673 9.541 0.719 1.00 0.00 H new ATOM 0 HA ALA A 121 0.271 9.157 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.704 6.815 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.239 7.598 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.798 7.416 1.175 1.00 0.00 H new ATOM 1870 N LEU A 122 -0.132 9.304 2.390 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.209 9.382 3.420 1.00 0.00 C ATOM 1872 C LEU A 122 -2.094 10.597 3.142 1.00 0.00 C ATOM 1873 O LEU A 122 -3.287 10.476 2.949 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.479 9.543 4.750 1.00 0.00 C ATOM 1875 CG LEU A 122 0.277 8.257 5.075 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.439 8.580 6.012 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.671 7.268 5.758 1.00 0.00 C ATOM 0 H LEU A 122 0.811 9.489 2.731 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.853 8.503 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.215 10.382 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -1.192 9.769 5.543 1.00 0.00 H new ATOM 0 HG LEU A 122 0.661 7.814 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.982 7.665 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.112 9.287 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.053 9.019 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.133 6.349 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -1.053 7.708 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.503 7.042 5.091 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.514 11.767 3.100 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.326 12.980 2.809 1.00 0.00 C ATOM 1891 C ALA A 123 -2.942 12.838 1.419 1.00 0.00 C ATOM 1892 O ALA A 123 -4.058 13.254 1.175 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.344 14.152 2.857 1.00 0.00 C ATOM 0 H ALA A 123 -0.519 11.933 3.254 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.140 13.127 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.876 15.081 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.890 14.206 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.566 14.006 2.108 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.227 12.229 0.506 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.779 12.036 -0.861 1.00 0.00 C ATOM 1901 C GLU A 124 -3.934 11.037 -0.796 1.00 0.00 C ATOM 1902 O GLU A 124 -4.982 11.235 -1.379 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.623 11.460 -1.678 1.00 0.00 C ATOM 1904 CG GLU A 124 -1.965 11.535 -3.166 1.00 0.00 C ATOM 1905 CD GLU A 124 -1.652 12.939 -3.691 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -0.492 13.205 -3.955 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -2.578 13.722 -3.816 1.00 0.00 O ATOM 0 H GLU A 124 -1.288 11.860 0.652 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.160 12.959 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.708 12.016 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.438 10.426 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.392 10.792 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.019 11.304 -3.320 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.747 9.966 -0.073 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.827 8.949 0.057 1.00 0.00 C ATOM 1916 C PHE A 125 -5.983 9.525 0.877 1.00 0.00 C ATOM 1917 O PHE A 125 -7.136 9.223 0.641 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.182 7.777 0.800 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.184 6.656 0.945 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.328 5.712 -0.076 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.969 6.559 2.102 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.256 4.671 0.056 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.896 5.520 2.234 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.040 4.575 1.212 1.00 0.00 C ATOM 0 H PHE A 125 -2.889 9.752 0.435 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.231 8.646 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.305 7.426 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.839 8.101 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.723 5.785 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.858 7.287 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.367 3.943 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -7.501 5.447 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.755 3.772 1.315 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.679 10.348 1.845 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.757 10.940 2.686 1.00 0.00 C ATOM 1936 C LEU A 126 -7.580 11.942 1.872 1.00 0.00 C ATOM 1937 O LEU A 126 -8.794 11.936 1.915 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.030 11.633 3.845 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.535 10.576 4.839 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.958 11.258 6.083 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.706 9.683 5.252 1.00 0.00 C ATOM 0 H LEU A 126 -4.731 10.635 2.089 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.458 10.187 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.189 12.214 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.701 12.332 4.344 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.759 9.975 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.609 10.500 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.124 11.897 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.731 11.863 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.358 8.930 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.479 10.291 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.117 9.191 4.370 1.00 0.00 H new ATOM 1953 N ARG A 127 -6.940 12.793 1.118 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.708 13.771 0.297 1.00 0.00 C ATOM 1955 C ARG A 127 -8.563 13.016 -0.718 1.00 0.00 C ATOM 1956 O ARG A 127 -9.536 13.526 -1.239 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.651 14.615 -0.418 1.00 0.00 C ATOM 1958 CG ARG A 127 -5.875 13.746 -1.411 1.00 0.00 C ATOM 1959 CD ARG A 127 -5.350 14.626 -2.546 1.00 0.00 C ATOM 1960 NE ARG A 127 -4.428 15.593 -1.893 1.00 0.00 N ATOM 1961 CZ ARG A 127 -3.934 16.588 -2.580 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -4.245 16.734 -3.842 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -3.132 17.439 -2.004 1.00 0.00 N ATOM 0 H ARG A 127 -5.925 12.854 1.035 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.375 14.390 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -7.128 15.444 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.967 15.050 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.046 13.249 -0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.521 12.964 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -4.830 14.032 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.165 15.141 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.182 15.479 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.875 16.070 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.858 17.512 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -2.892 17.327 -1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.745 18.217 -2.538 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.189 11.803 -1.005 1.00 0.00 N ATOM 1978 CA LEU A 128 -8.948 10.989 -1.991 1.00 0.00 C ATOM 1979 C LEU A 128 -9.723 9.870 -1.290 1.00 0.00 C ATOM 1980 O LEU A 128 -10.411 9.092 -1.920 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.867 10.433 -2.911 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.330 10.538 -4.363 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -8.349 12.010 -4.780 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.361 9.767 -5.264 1.00 0.00 C ATOM 0 H LEU A 128 -7.381 11.336 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.697 11.565 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.938 10.986 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.659 9.393 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.330 10.116 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.679 12.091 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.035 12.562 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.347 12.428 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.691 9.841 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.361 10.191 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.341 8.719 -4.964 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.630 9.788 0.010 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.375 8.721 0.740 1.00 0.00 C ATOM 1998 C ALA A 129 -11.823 9.170 0.988 1.00 0.00 C ATOM 1999 O ALA A 129 -12.050 10.284 1.418 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.642 8.559 2.069 1.00 0.00 C ATOM 0 H ALA A 129 -9.073 10.410 0.596 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.413 7.788 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.133 7.789 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.608 8.269 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.661 9.504 2.612 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.763 8.292 0.723 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.446 6.938 0.199 1.00 0.00 C ATOM 2008 C PRO A 130 -12.107 7.000 -1.296 1.00 0.00 C ATOM 2009 O PRO A 130 -12.919 7.396 -2.110 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.736 6.159 0.419 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.818 7.192 0.434 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.206 8.487 0.902 1.00 0.00 C ATOM 0 HA PRO A 130 -11.584 6.486 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -13.897 5.431 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.707 5.605 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.249 7.310 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.627 6.889 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.569 9.332 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.454 8.690 1.944 1.00 0.00 H new ATOM 2020 N VAL A 131 -10.919 6.605 -1.665 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.540 6.636 -3.110 1.00 0.00 C ATOM 2022 C VAL A 131 -11.458 5.712 -3.917 1.00 0.00 C ATOM 2023 O VAL A 131 -12.204 4.927 -3.364 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.099 6.127 -3.163 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.152 7.194 -2.616 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.978 4.867 -2.314 1.00 0.00 C ATOM 0 H VAL A 131 -10.196 6.263 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.634 7.636 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.834 5.904 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.127 6.826 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.237 8.099 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.416 7.420 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.952 4.501 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.246 5.096 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.650 4.101 -2.702 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.417 5.802 -5.218 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.296 4.932 -6.051 1.00 0.00 C ATOM 2038 C GLU A 132 -11.551 3.661 -6.483 1.00 0.00 C ATOM 2039 O GLU A 132 -10.811 3.662 -7.446 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.651 5.788 -7.270 1.00 0.00 C ATOM 2041 CG GLU A 132 -14.042 5.405 -7.781 1.00 0.00 C ATOM 2042 CD GLU A 132 -14.135 5.695 -9.281 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.303 6.439 -9.776 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -15.036 5.166 -9.910 1.00 0.00 O ATOM 0 H GLU A 132 -10.815 6.439 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.181 4.602 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.629 6.845 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.911 5.642 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.232 4.348 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.806 5.967 -7.243 1.00 0.00 H new ATOM 2051 N THR A 133 -11.752 2.572 -5.785 1.00 0.00 N ATOM 2052 CA THR A 133 -11.067 1.299 -6.165 1.00 0.00 C ATOM 2053 C THR A 133 -11.902 0.550 -7.213 1.00 0.00 C ATOM 2054 O THR A 133 -13.020 0.147 -6.957 1.00 0.00 O ATOM 2055 CB THR A 133 -10.981 0.490 -4.867 1.00 0.00 C ATOM 2056 OG1 THR A 133 -12.066 0.841 -4.020 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.653 0.774 -4.155 1.00 0.00 C ATOM 0 H THR A 133 -12.361 2.509 -4.969 1.00 0.00 H new ATOM 0 HA THR A 133 -10.083 1.470 -6.601 1.00 0.00 H new ATOM 0 HB THR A 133 -11.032 -0.573 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.782 1.544 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.603 0.194 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.824 0.494 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.587 1.836 -3.919 1.00 0.00 H new ATOM 2065 N MET A 134 -11.372 0.366 -8.395 1.00 0.00 N ATOM 2066 CA MET A 134 -12.140 -0.351 -9.457 1.00 0.00 C ATOM 2067 C MET A 134 -11.680 -1.809 -9.563 1.00 0.00 C ATOM 2068 O MET A 134 -11.868 -2.452 -10.575 1.00 0.00 O ATOM 2069 CB MET A 134 -11.816 0.389 -10.757 1.00 0.00 C ATOM 2070 CG MET A 134 -12.043 1.891 -10.576 1.00 0.00 C ATOM 2071 SD MET A 134 -13.811 2.249 -10.696 1.00 0.00 S ATOM 2072 CE MET A 134 -13.999 1.844 -12.450 1.00 0.00 C ATOM 0 H MET A 134 -10.442 0.681 -8.670 1.00 0.00 H new ATOM 0 HA MET A 134 -13.208 -0.364 -9.241 1.00 0.00 H new ATOM 0 HB2 MET A 134 -10.781 0.201 -11.043 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.444 0.013 -11.565 1.00 0.00 H new ATOM 0 HG2 MET A 134 -11.660 2.214 -9.608 1.00 0.00 H new ATOM 0 HG3 MET A 134 -11.495 2.447 -11.337 1.00 0.00 H new ATOM 0 HE1 MET A 134 -14.679 2.557 -12.917 1.00 0.00 H new ATOM 0 HE2 MET A 134 -13.027 1.894 -12.941 1.00 0.00 H new ATOM 0 HE3 MET A 134 -14.405 0.837 -12.549 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.070 -2.335 -8.534 1.00 0.00 N ATOM 2083 CA ALA A 135 -10.596 -3.751 -8.597 1.00 0.00 C ATOM 2084 C ALA A 135 -11.723 -4.675 -9.069 1.00 0.00 C ATOM 2085 O ALA A 135 -12.357 -5.282 -8.222 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.183 -4.103 -7.169 1.00 0.00 C ATOM 2087 OXT ALA A 135 -11.931 -4.761 -10.268 1.00 0.00 O ATOM 0 H ALA A 135 -10.880 -1.850 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.772 -3.871 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.823 -5.131 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.389 -3.430 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.042 -3.999 -6.506 1.00 0.00 H new