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 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.46 K(o=0.46,f=-0.067) USER MOD Set 2.1: A 110 GLN : amide:sc= -1.58 K(o=-5.8,f=-3.2) USER MOD Set 2.2: A 113 GLN : amide:sc= -4.2! C(o=-5.8!,f=-3.2!) USER MOD Set 3.1: A 46 THR OG1 : rot 117:sc= -2.09! USER MOD Set 3.2: A 47 HIS : no HE2:sc= -4.31! C(o=-5.7!,f=-23!) USER MOD Set 3.3: A 50 GLN : amide:sc= 0.651 K(o=-5.7,f=-15!) USER MOD Single : A 4 GLN : amide:sc= -2! X(o=-2!,f=-1.8) USER MOD Single : A 8 CYS SG : rot 129:sc= -3.01! USER MOD Single : A 13 SER OG : rot 160:sc= -0.206 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 CYS SG : rot -149:sc= -7.04! USER MOD Single : A 21 GLN : amide:sc= -0.776 X(o=-0.78,f=-1) USER MOD Single : A 25 SER OG : rot -109:sc= 0.825 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.41) USER MOD Single : A 34 CYS SG : rot -120:sc= -4.41! USER MOD Single : A 36 SER OG : rot -174:sc= -1.57! USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 45 GLN : amide:sc= -3.54! C(o=-3.5!,f=-6.2!) USER MOD Single : A 53 CYS SG : rot 58:sc= -5.5! USER MOD Single : A 60 ASN : amide:sc= -0.499 K(o=-0.5,f=0.0057) USER MOD Single : A 62 SER OG : rot 180:sc= 0.2 USER MOD Single : A 68 GLN : amide:sc= -1.99! C(o=-2!,f=-5.4!) USER MOD Single : A 69 GLN : amide:sc= -2.13! C(o=-2.1!,f=-7.1!) USER MOD Single : A 71 CYS SG : rot 78:sc= -4.96! USER MOD Single : A 99 TYR OH : rot -22:sc= 0.917 USER MOD Single : A 100 HIS : no HD1:sc= -21.5! C(o=-21!,f=-30!) USER MOD Single : A 101 SER OG : rot 180:sc= -1.15 USER MOD Single : A 105 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-0.095) USER MOD Single : A 109 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.75) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 134 MET CE :methyl 144:sc= -0.143 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.561 3.742 15.811 1.00 0.00 N ATOM 51 CA GLN A 4 4.431 3.654 14.604 1.00 0.00 C ATOM 52 C GLN A 4 3.558 3.565 13.346 1.00 0.00 C ATOM 53 O GLN A 4 2.463 3.035 13.376 1.00 0.00 O ATOM 54 CB GLN A 4 5.250 2.373 14.787 1.00 0.00 C ATOM 55 CG GLN A 4 6.069 2.454 16.081 1.00 0.00 C ATOM 56 CD GLN A 4 7.131 1.351 16.082 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.899 0.266 15.586 1.00 0.00 O ATOM 58 NE2 GLN A 4 8.300 1.585 16.620 1.00 0.00 N ATOM 0 HA GLN A 4 5.076 4.525 14.490 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.586 1.509 14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.915 2.232 13.935 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.544 3.431 16.163 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.415 2.344 16.946 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.497 2.495 17.037 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.015 0.858 16.623 1.00 0.00 H new ATOM 67 N ILE A 5 4.032 4.069 12.241 1.00 0.00 N ATOM 68 CA ILE A 5 3.228 4.004 10.990 1.00 0.00 C ATOM 69 C ILE A 5 3.114 2.548 10.529 1.00 0.00 C ATOM 70 O ILE A 5 4.074 1.803 10.574 1.00 0.00 O ATOM 71 CB ILE A 5 4.023 4.837 9.983 1.00 0.00 C ATOM 72 CG1 ILE A 5 4.178 6.261 10.521 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.284 4.891 8.648 1.00 0.00 C ATOM 74 CD1 ILE A 5 5.013 7.085 9.541 1.00 0.00 C ATOM 0 H ILE A 5 4.941 4.523 12.151 1.00 0.00 H new ATOM 0 HA ILE A 5 2.212 4.378 11.113 1.00 0.00 H new ATOM 0 HB ILE A 5 5.002 4.380 9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.198 6.719 10.656 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.659 6.242 11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.858 5.486 7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.162 3.880 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.304 5.345 8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.125 8.100 9.922 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.997 6.629 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.514 7.114 8.573 1.00 0.00 H new ATOM 86 N ALA A 6 1.955 2.128 10.090 1.00 0.00 N ATOM 87 CA ALA A 6 1.807 0.723 9.639 1.00 0.00 C ATOM 88 C ALA A 6 2.083 0.631 8.143 1.00 0.00 C ATOM 89 O ALA A 6 1.391 1.215 7.336 1.00 0.00 O ATOM 90 CB ALA A 6 0.360 0.371 9.949 1.00 0.00 C ATOM 0 H ALA A 6 1.112 2.698 10.027 1.00 0.00 H new ATOM 0 HA ALA A 6 2.503 0.043 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.163 -0.657 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.182 0.474 11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.303 1.044 9.404 1.00 0.00 H new ATOM 96 N ILE A 7 3.093 -0.092 7.771 1.00 0.00 N ATOM 97 CA ILE A 7 3.422 -0.219 6.329 1.00 0.00 C ATOM 98 C ILE A 7 3.538 -1.692 5.947 1.00 0.00 C ATOM 99 O ILE A 7 4.158 -2.476 6.632 1.00 0.00 O ATOM 100 CB ILE A 7 4.758 0.508 6.176 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.545 1.992 6.475 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.290 0.344 4.750 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.772 2.790 6.032 1.00 0.00 C ATOM 0 H ILE A 7 3.708 -0.603 8.404 1.00 0.00 H new ATOM 0 HA ILE A 7 2.658 0.205 5.677 1.00 0.00 H new ATOM 0 HB ILE A 7 5.484 0.085 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.658 2.353 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.371 2.136 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.242 0.866 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.434 -0.715 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.573 0.763 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.616 3.847 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.650 2.436 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.926 2.656 4.961 1.00 0.00 H new ATOM 115 N CYS A 8 2.931 -2.078 4.868 1.00 0.00 N ATOM 116 CA CYS A 8 2.996 -3.504 4.453 1.00 0.00 C ATOM 117 C CYS A 8 3.541 -3.605 3.035 1.00 0.00 C ATOM 118 O CYS A 8 2.933 -3.124 2.103 1.00 0.00 O ATOM 119 CB CYS A 8 1.549 -3.983 4.493 1.00 0.00 C ATOM 120 SG CYS A 8 1.503 -5.783 4.338 1.00 0.00 S ATOM 0 H CYS A 8 2.391 -1.469 4.253 1.00 0.00 H new ATOM 0 HA CYS A 8 3.647 -4.098 5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.079 -3.676 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.981 -3.523 3.684 1.00 0.00 H new ATOM 0 HG CYS A 8 0.777 -6.282 5.294 1.00 0.00 H new ATOM 126 N ILE A 9 4.675 -4.218 2.846 1.00 0.00 N ATOM 127 CA ILE A 9 5.207 -4.313 1.464 1.00 0.00 C ATOM 128 C ILE A 9 5.150 -5.734 0.939 1.00 0.00 C ATOM 129 O ILE A 9 5.305 -6.696 1.664 1.00 0.00 O ATOM 130 CB ILE A 9 6.665 -3.902 1.566 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.330 -4.068 0.197 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.360 -4.814 2.571 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.828 -3.796 0.327 1.00 0.00 C ATOM 0 H ILE A 9 5.245 -4.649 3.574 1.00 0.00 H new ATOM 0 HA ILE A 9 4.622 -3.689 0.788 1.00 0.00 H new ATOM 0 HB ILE A 9 6.740 -2.863 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.163 -5.077 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.885 -3.380 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.409 -4.530 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.879 -4.717 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.290 -5.848 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.305 -3.913 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.983 -2.779 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.266 -4.502 1.033 1.00 0.00 H new ATOM 145 N TRP A 10 4.989 -5.868 -0.337 1.00 0.00 N ATOM 146 CA TRP A 10 4.992 -7.229 -0.933 1.00 0.00 C ATOM 147 C TRP A 10 6.078 -7.288 -2.001 1.00 0.00 C ATOM 148 O TRP A 10 5.876 -6.886 -3.130 1.00 0.00 O ATOM 149 CB TRP A 10 3.621 -7.449 -1.553 1.00 0.00 C ATOM 150 CG TRP A 10 3.677 -8.691 -2.384 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.508 -9.739 -2.165 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.894 -9.029 -3.558 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.282 -10.698 -3.135 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.294 -10.307 -4.018 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.890 -8.354 -4.262 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.705 -10.896 -5.139 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.298 -8.939 -5.388 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.706 -10.208 -5.829 1.00 0.00 C ATOM 0 H TRP A 10 4.856 -5.101 -0.996 1.00 0.00 H new ATOM 0 HA TRP A 10 5.193 -8.000 -0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.863 -7.546 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.340 -6.593 -2.167 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.229 -9.813 -1.364 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.783 -11.585 -3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.570 -7.376 -3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.020 -11.875 -5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.522 -8.410 -5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.247 -10.651 -6.701 1.00 0.00 H new ATOM 169 N VAL A 11 7.231 -7.769 -1.650 1.00 0.00 N ATOM 170 CA VAL A 11 8.335 -7.838 -2.640 1.00 0.00 C ATOM 171 C VAL A 11 9.059 -9.184 -2.531 1.00 0.00 C ATOM 172 O VAL A 11 9.530 -9.571 -1.479 1.00 0.00 O ATOM 173 CB VAL A 11 9.255 -6.676 -2.264 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.456 -6.640 -0.751 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.604 -6.859 -2.958 1.00 0.00 C ATOM 0 H VAL A 11 7.458 -8.118 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 11 7.989 -7.763 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 11 8.802 -5.737 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.112 -5.810 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.492 -6.509 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.907 -7.576 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.264 -6.033 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.053 -7.799 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.458 -6.875 -4.038 1.00 0.00 H new ATOM 185 N GLU A 12 9.148 -9.894 -3.620 1.00 0.00 N ATOM 186 CA GLU A 12 9.839 -11.218 -3.602 1.00 0.00 C ATOM 187 C GLU A 12 11.346 -11.028 -3.772 1.00 0.00 C ATOM 188 O GLU A 12 12.115 -11.967 -3.704 1.00 0.00 O ATOM 189 CB GLU A 12 9.234 -11.998 -4.774 1.00 0.00 C ATOM 190 CG GLU A 12 7.839 -12.484 -4.377 1.00 0.00 C ATOM 191 CD GLU A 12 7.145 -13.123 -5.582 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.294 -12.601 -6.675 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.474 -14.124 -5.390 1.00 0.00 O ATOM 0 H GLU A 12 8.771 -9.616 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 12 9.703 -11.750 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.175 -11.364 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.870 -12.845 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.914 -13.207 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.246 -11.648 -4.006 1.00 0.00 H new ATOM 200 N SER A 13 11.774 -9.812 -3.972 1.00 0.00 N ATOM 201 CA SER A 13 13.228 -9.542 -4.120 1.00 0.00 C ATOM 202 C SER A 13 13.735 -8.842 -2.859 1.00 0.00 C ATOM 203 O SER A 13 13.274 -7.775 -2.504 1.00 0.00 O ATOM 204 CB SER A 13 13.342 -8.619 -5.335 1.00 0.00 C ATOM 205 OG SER A 13 14.646 -8.734 -5.890 1.00 0.00 O ATOM 0 H SER A 13 11.174 -8.990 -4.039 1.00 0.00 H new ATOM 0 HA SER A 13 13.818 -10.449 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.592 -8.885 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.148 -7.587 -5.042 1.00 0.00 H new ATOM 0 HG SER A 13 14.636 -8.417 -6.817 1.00 0.00 H new ATOM 211 N THR A 14 14.664 -9.437 -2.170 1.00 0.00 N ATOM 212 CA THR A 14 15.183 -8.810 -0.924 1.00 0.00 C ATOM 213 C THR A 14 15.833 -7.455 -1.223 1.00 0.00 C ATOM 214 O THR A 14 15.705 -6.518 -0.460 1.00 0.00 O ATOM 215 CB THR A 14 16.220 -9.796 -0.391 1.00 0.00 C ATOM 216 OG1 THR A 14 15.932 -11.097 -0.884 1.00 0.00 O ATOM 217 CG2 THR A 14 16.170 -9.814 1.135 1.00 0.00 C ATOM 0 H THR A 14 15.088 -10.332 -2.415 1.00 0.00 H new ATOM 0 HA THR A 14 14.388 -8.617 -0.204 1.00 0.00 H new ATOM 0 HB THR A 14 17.213 -9.490 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.598 -11.731 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.910 -10.518 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.387 -8.817 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.177 -10.120 1.463 1.00 0.00 H new ATOM 225 N ALA A 15 16.529 -7.343 -2.320 1.00 0.00 N ATOM 226 CA ALA A 15 17.185 -6.046 -2.649 1.00 0.00 C ATOM 227 C ALA A 15 16.134 -4.941 -2.713 1.00 0.00 C ATOM 228 O ALA A 15 16.331 -3.849 -2.218 1.00 0.00 O ATOM 229 CB ALA A 15 17.829 -6.261 -4.018 1.00 0.00 C ATOM 0 H ALA A 15 16.672 -8.089 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 15 17.921 -5.747 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.334 -5.347 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.554 -7.073 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.059 -6.517 -4.746 1.00 0.00 H new ATOM 235 N ILE A 16 15.008 -5.232 -3.296 1.00 0.00 N ATOM 236 CA ILE A 16 13.925 -4.221 -3.370 1.00 0.00 C ATOM 237 C ILE A 16 13.323 -4.076 -1.977 1.00 0.00 C ATOM 238 O ILE A 16 13.062 -2.989 -1.500 1.00 0.00 O ATOM 239 CB ILE A 16 12.921 -4.812 -4.360 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.411 -4.536 -5.783 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.545 -4.176 -4.157 1.00 0.00 C ATOM 242 CD1 ILE A 16 13.812 -5.854 -6.451 1.00 0.00 C ATOM 0 H ILE A 16 14.792 -6.131 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 16 14.252 -3.232 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 16 12.837 -5.886 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.626 -4.048 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.261 -3.854 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.838 -4.604 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.201 -4.370 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.614 -3.100 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.161 -5.657 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 16 14.611 -6.324 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.950 -6.520 -6.487 1.00 0.00 H new ATOM 254 N LEU A 17 13.135 -5.182 -1.314 1.00 0.00 N ATOM 255 CA LEU A 17 12.585 -5.155 0.066 1.00 0.00 C ATOM 256 C LEU A 17 13.548 -4.395 0.979 1.00 0.00 C ATOM 257 O LEU A 17 13.147 -3.555 1.760 1.00 0.00 O ATOM 258 CB LEU A 17 12.485 -6.632 0.461 1.00 0.00 C ATOM 259 CG LEU A 17 12.310 -6.788 1.979 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.675 -6.714 2.661 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.403 -5.685 2.536 1.00 0.00 C ATOM 0 H LEU A 17 13.342 -6.113 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 17 11.620 -4.654 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.643 -7.093 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.383 -7.159 0.139 1.00 0.00 H new ATOM 0 HG LEU A 17 11.848 -7.755 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.550 -6.825 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.313 -7.514 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.137 -5.750 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.292 -5.814 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.847 -4.711 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.424 -5.745 2.061 1.00 0.00 H new ATOM 273 N GLN A 18 14.825 -4.664 0.872 1.00 0.00 N ATOM 274 CA GLN A 18 15.801 -3.930 1.721 1.00 0.00 C ATOM 275 C GLN A 18 15.758 -2.442 1.366 1.00 0.00 C ATOM 276 O GLN A 18 15.771 -1.588 2.229 1.00 0.00 O ATOM 277 CB GLN A 18 17.168 -4.527 1.374 1.00 0.00 C ATOM 278 CG GLN A 18 17.289 -5.943 1.942 1.00 0.00 C ATOM 279 CD GLN A 18 18.725 -6.433 1.740 1.00 0.00 C ATOM 280 OE1 GLN A 18 19.080 -6.881 0.669 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.572 -6.359 2.731 1.00 0.00 N ATOM 0 H GLN A 18 15.228 -5.354 0.238 1.00 0.00 H new ATOM 0 HA GLN A 18 15.586 -4.022 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.299 -4.549 0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.961 -3.897 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.034 -5.948 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.588 -6.612 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.273 -5.982 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.533 -6.678 2.606 1.00 0.00 H new ATOM 290 N ASP A 19 15.693 -2.129 0.100 1.00 0.00 N ATOM 291 CA ASP A 19 15.637 -0.700 -0.311 1.00 0.00 C ATOM 292 C ASP A 19 14.452 -0.025 0.375 1.00 0.00 C ATOM 293 O ASP A 19 14.550 1.081 0.869 1.00 0.00 O ATOM 294 CB ASP A 19 15.428 -0.733 -1.827 1.00 0.00 C ATOM 295 CG ASP A 19 16.679 -1.290 -2.509 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.623 -1.610 -1.808 1.00 0.00 O ATOM 297 OD2 ASP A 19 16.668 -1.390 -3.727 1.00 0.00 O ATOM 0 H ASP A 19 15.676 -2.802 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 19 16.535 -0.146 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.564 -1.351 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.217 0.271 -2.196 1.00 0.00 H new ATOM 302 N CYS A 20 13.337 -0.698 0.427 1.00 0.00 N ATOM 303 CA CYS A 20 12.144 -0.115 1.099 1.00 0.00 C ATOM 304 C CYS A 20 12.474 0.144 2.562 1.00 0.00 C ATOM 305 O CYS A 20 12.424 1.259 3.048 1.00 0.00 O ATOM 306 CB CYS A 20 11.067 -1.204 0.979 1.00 0.00 C ATOM 307 SG CYS A 20 9.868 -1.059 2.334 1.00 0.00 S ATOM 0 H CYS A 20 13.201 -1.629 0.032 1.00 0.00 H new ATOM 0 HA CYS A 20 11.822 0.830 0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.555 -1.114 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 20 11.533 -2.189 1.001 1.00 0.00 H new ATOM 0 HG CYS A 20 9.404 -2.237 2.631 1.00 0.00 H new ATOM 313 N GLN A 21 12.809 -0.897 3.262 1.00 0.00 N ATOM 314 CA GLN A 21 13.140 -0.756 4.697 1.00 0.00 C ATOM 315 C GLN A 21 14.220 0.307 4.865 1.00 0.00 C ATOM 316 O GLN A 21 14.224 1.059 5.818 1.00 0.00 O ATOM 317 CB GLN A 21 13.652 -2.132 5.106 1.00 0.00 C ATOM 318 CG GLN A 21 12.544 -3.150 4.864 1.00 0.00 C ATOM 319 CD GLN A 21 12.974 -4.510 5.386 1.00 0.00 C ATOM 320 OE1 GLN A 21 14.138 -4.853 5.351 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.069 -5.300 5.873 1.00 0.00 N ATOM 0 H GLN A 21 12.868 -1.847 2.896 1.00 0.00 H new ATOM 0 HA GLN A 21 12.292 -0.445 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.539 -2.393 4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.943 -2.131 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.629 -2.831 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.321 -3.213 3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.093 -5.003 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.333 -6.218 6.231 1.00 0.00 H new ATOM 330 N ARG A 22 15.128 0.388 3.933 1.00 0.00 N ATOM 331 CA ARG A 22 16.194 1.418 4.035 1.00 0.00 C ATOM 332 C ARG A 22 15.554 2.805 4.040 1.00 0.00 C ATOM 333 O ARG A 22 15.739 3.581 4.955 1.00 0.00 O ATOM 334 CB ARG A 22 17.065 1.215 2.797 1.00 0.00 C ATOM 335 CG ARG A 22 18.530 1.100 3.227 1.00 0.00 C ATOM 336 CD ARG A 22 18.650 0.042 4.326 1.00 0.00 C ATOM 337 NE ARG A 22 19.870 -0.740 3.981 1.00 0.00 N ATOM 338 CZ ARG A 22 21.059 -0.235 4.194 1.00 0.00 C ATOM 339 NH1 ARG A 22 21.183 0.948 4.732 1.00 0.00 N ATOM 340 NH2 ARG A 22 22.123 -0.916 3.871 1.00 0.00 N ATOM 0 H ARG A 22 15.177 -0.212 3.110 1.00 0.00 H new ATOM 0 HA ARG A 22 16.784 1.333 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.758 0.315 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.940 2.051 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.152 0.828 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.891 2.062 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.743 0.504 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.768 -0.597 4.356 1.00 0.00 H new ATOM 0 HE ARG A 22 19.779 -1.672 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.352 1.482 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.111 1.339 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.029 -1.841 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.050 -0.523 4.037 1.00 0.00 H new ATOM 354 N ALA A 23 14.775 3.117 3.037 1.00 0.00 N ATOM 355 CA ALA A 23 14.103 4.449 3.016 1.00 0.00 C ATOM 356 C ALA A 23 13.092 4.503 4.167 1.00 0.00 C ATOM 357 O ALA A 23 13.122 5.396 4.993 1.00 0.00 O ATOM 358 CB ALA A 23 13.403 4.528 1.658 1.00 0.00 C ATOM 0 H ALA A 23 14.577 2.513 2.239 1.00 0.00 H new ATOM 0 HA ALA A 23 14.793 5.283 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.886 5.483 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.142 4.441 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.681 3.716 1.573 1.00 0.00 H new ATOM 364 N LEU A 24 12.218 3.532 4.241 1.00 0.00 N ATOM 365 CA LEU A 24 11.228 3.494 5.353 1.00 0.00 C ATOM 366 C LEU A 24 11.866 2.802 6.551 1.00 0.00 C ATOM 367 O LEU A 24 11.473 1.722 6.946 1.00 0.00 O ATOM 368 CB LEU A 24 10.079 2.664 4.806 1.00 0.00 C ATOM 369 CG LEU A 24 9.618 3.287 3.499 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.392 2.547 2.982 1.00 0.00 C ATOM 371 CD2 LEU A 24 9.265 4.748 3.750 1.00 0.00 C ATOM 0 H LEU A 24 12.149 2.762 3.575 1.00 0.00 H new ATOM 0 HA LEU A 24 10.897 4.481 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.398 1.635 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.258 2.634 5.522 1.00 0.00 H new ATOM 0 HG LEU A 24 10.413 3.219 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.064 2.996 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.643 1.500 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.590 2.614 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.932 5.207 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.466 4.808 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.143 5.276 4.121 1.00 0.00 H new ATOM 383 N SER A 25 12.869 3.408 7.109 1.00 0.00 N ATOM 384 CA SER A 25 13.578 2.789 8.260 1.00 0.00 C ATOM 385 C SER A 25 13.191 3.465 9.577 1.00 0.00 C ATOM 386 O SER A 25 13.522 2.985 10.640 1.00 0.00 O ATOM 387 CB SER A 25 15.053 3.029 7.953 1.00 0.00 C ATOM 388 OG SER A 25 15.234 4.393 7.590 1.00 0.00 O ATOM 0 H SER A 25 13.233 4.315 6.816 1.00 0.00 H new ATOM 0 HA SER A 25 13.332 1.734 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.663 2.787 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.380 2.377 7.143 1.00 0.00 H new ATOM 0 HG SER A 25 15.430 4.453 6.632 1.00 0.00 H new ATOM 394 N ALA A 26 12.498 4.571 9.510 1.00 0.00 N ATOM 395 CA ALA A 26 12.086 5.293 10.753 1.00 0.00 C ATOM 396 C ALA A 26 11.784 4.306 11.882 1.00 0.00 C ATOM 397 O ALA A 26 11.146 3.292 11.679 1.00 0.00 O ATOM 398 CB ALA A 26 10.817 6.051 10.366 1.00 0.00 C ATOM 0 H ALA A 26 12.196 5.010 8.640 1.00 0.00 H new ATOM 0 HA ALA A 26 12.873 5.954 11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.450 6.609 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.040 6.743 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.055 5.343 10.041 1.00 0.00 H new ATOM 404 N ASP A 27 12.235 4.594 13.072 1.00 0.00 N ATOM 405 CA ASP A 27 11.964 3.668 14.208 1.00 0.00 C ATOM 406 C ASP A 27 10.457 3.495 14.388 1.00 0.00 C ATOM 407 O ASP A 27 10.002 2.607 15.077 1.00 0.00 O ATOM 408 CB ASP A 27 12.551 4.354 15.446 1.00 0.00 C ATOM 409 CG ASP A 27 14.037 4.654 15.235 1.00 0.00 C ATOM 410 OD1 ASP A 27 14.344 5.436 14.351 1.00 0.00 O ATOM 411 OD2 ASP A 27 14.840 4.104 15.970 1.00 0.00 O ATOM 0 H ASP A 27 12.777 5.426 13.306 1.00 0.00 H new ATOM 0 HA ASP A 27 12.399 2.683 14.039 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.012 5.280 15.647 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.423 3.714 16.319 1.00 0.00 H new ATOM 416 N ARG A 28 9.676 4.353 13.784 1.00 0.00 N ATOM 417 CA ARG A 28 8.202 4.251 13.943 1.00 0.00 C ATOM 418 C ARG A 28 7.568 3.573 12.729 1.00 0.00 C ATOM 419 O ARG A 28 6.398 3.744 12.460 1.00 0.00 O ATOM 420 CB ARG A 28 7.728 5.702 14.053 1.00 0.00 C ATOM 421 CG ARG A 28 7.877 6.395 12.694 1.00 0.00 C ATOM 422 CD ARG A 28 6.884 7.553 12.602 1.00 0.00 C ATOM 423 NE ARG A 28 7.361 8.553 13.595 1.00 0.00 N ATOM 424 CZ ARG A 28 8.376 9.324 13.310 1.00 0.00 C ATOM 425 NH1 ARG A 28 9.006 9.188 12.174 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.765 10.225 14.165 1.00 0.00 N ATOM 0 H ARG A 28 9.998 5.117 13.190 1.00 0.00 H new ATOM 0 HA ARG A 28 7.923 3.652 14.810 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.687 5.732 14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.311 6.230 14.808 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.895 6.764 12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.697 5.683 11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.862 7.975 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.871 7.223 12.831 1.00 0.00 H new ATOM 0 HE ARG A 28 6.895 8.636 14.499 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.706 8.478 11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.798 9.792 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.277 10.328 15.055 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.557 10.828 13.945 1.00 0.00 H new ATOM 440 N TYR A 29 8.322 2.818 11.981 1.00 0.00 N ATOM 441 CA TYR A 29 7.732 2.157 10.784 1.00 0.00 C ATOM 442 C TYR A 29 7.440 0.685 11.057 1.00 0.00 C ATOM 443 O TYR A 29 8.279 -0.048 11.544 1.00 0.00 O ATOM 444 CB TYR A 29 8.790 2.290 9.684 1.00 0.00 C ATOM 445 CG TYR A 29 8.508 3.525 8.854 1.00 0.00 C ATOM 446 CD1 TYR A 29 7.190 3.865 8.524 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.567 4.328 8.421 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.933 5.006 7.763 1.00 0.00 C ATOM 449 CE2 TYR A 29 9.308 5.469 7.657 1.00 0.00 C ATOM 450 CZ TYR A 29 7.992 5.812 7.326 1.00 0.00 C ATOM 451 OH TYR A 29 7.742 6.940 6.570 1.00 0.00 O ATOM 0 H TYR A 29 9.311 2.631 12.144 1.00 0.00 H new ATOM 0 HA TYR A 29 6.784 2.617 10.504 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.784 2.357 10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.783 1.404 9.050 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.372 3.244 8.859 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.583 4.067 8.676 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.916 5.268 7.511 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.126 6.088 7.321 1.00 0.00 H new ATOM 0 HH TYR A 29 8.589 7.383 6.353 1.00 0.00 H new ATOM 461 N GLN A 30 6.258 0.240 10.722 1.00 0.00 N ATOM 462 CA GLN A 30 5.922 -1.196 10.934 1.00 0.00 C ATOM 463 C GLN A 30 5.797 -1.874 9.573 1.00 0.00 C ATOM 464 O GLN A 30 4.716 -2.080 9.062 1.00 0.00 O ATOM 465 CB GLN A 30 4.581 -1.216 11.671 1.00 0.00 C ATOM 466 CG GLN A 30 4.737 -0.622 13.070 1.00 0.00 C ATOM 467 CD GLN A 30 3.783 -1.337 14.029 1.00 0.00 C ATOM 468 OE1 GLN A 30 4.198 -1.842 15.054 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.514 -1.405 13.736 1.00 0.00 N ATOM 0 H GLN A 30 5.515 0.806 10.313 1.00 0.00 H new ATOM 0 HA GLN A 30 6.684 -1.723 11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.840 -0.648 11.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.212 -2.239 11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.766 -0.732 13.412 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.520 0.446 13.051 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.166 -0.981 12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.870 -1.882 14.367 1.00 0.00 H new ATOM 478 N LEU A 31 6.904 -2.195 8.972 1.00 0.00 N ATOM 479 CA LEU A 31 6.873 -2.827 7.628 1.00 0.00 C ATOM 480 C LEU A 31 6.620 -4.326 7.720 1.00 0.00 C ATOM 481 O LEU A 31 7.325 -5.047 8.397 1.00 0.00 O ATOM 482 CB LEU A 31 8.252 -2.561 7.058 1.00 0.00 C ATOM 483 CG LEU A 31 8.524 -1.065 7.126 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.780 -0.821 7.959 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.717 -0.526 5.710 1.00 0.00 C ATOM 0 H LEU A 31 7.837 -2.046 9.357 1.00 0.00 H new ATOM 0 HA LEU A 31 6.071 -2.425 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.007 -3.109 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.309 -2.910 6.027 1.00 0.00 H new ATOM 0 HG LEU A 31 7.683 -0.552 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.980 0.249 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.631 -1.212 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.628 -1.326 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.912 0.546 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.561 -1.031 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.815 -0.708 5.125 1.00 0.00 H new ATOM 497 N GLN A 32 5.633 -4.802 7.018 1.00 0.00 N ATOM 498 CA GLN A 32 5.354 -6.258 7.036 1.00 0.00 C ATOM 499 C GLN A 32 5.757 -6.860 5.692 1.00 0.00 C ATOM 500 O GLN A 32 5.132 -6.621 4.679 1.00 0.00 O ATOM 501 CB GLN A 32 3.850 -6.385 7.264 1.00 0.00 C ATOM 502 CG GLN A 32 3.489 -7.865 7.367 1.00 0.00 C ATOM 503 CD GLN A 32 4.267 -8.487 8.527 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.214 -8.003 9.638 1.00 0.00 O ATOM 505 NE2 GLN A 32 4.999 -9.545 8.311 1.00 0.00 N ATOM 0 H GLN A 32 5.009 -4.245 6.434 1.00 0.00 H new ATOM 0 HA GLN A 32 5.910 -6.785 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.561 -5.862 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.304 -5.920 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.417 -7.981 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.729 -8.377 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.044 -9.952 7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.527 -9.965 9.076 1.00 0.00 H new ATOM 514 N VAL A 33 6.809 -7.628 5.673 1.00 0.00 N ATOM 515 CA VAL A 33 7.265 -8.228 4.390 1.00 0.00 C ATOM 516 C VAL A 33 6.496 -9.512 4.087 1.00 0.00 C ATOM 517 O VAL A 33 6.462 -10.433 4.875 1.00 0.00 O ATOM 518 CB VAL A 33 8.742 -8.535 4.603 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.301 -9.212 3.352 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.496 -7.229 4.862 1.00 0.00 C ATOM 0 H VAL A 33 7.372 -7.866 6.489 1.00 0.00 H new ATOM 0 HA VAL A 33 7.098 -7.558 3.547 1.00 0.00 H new ATOM 0 HB VAL A 33 8.862 -9.199 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.358 -9.434 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.758 -10.139 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.186 -8.547 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.554 -7.444 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.381 -6.566 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.092 -6.746 5.751 1.00 0.00 H new ATOM 530 N CYS A 34 5.894 -9.577 2.938 1.00 0.00 N ATOM 531 CA CYS A 34 5.136 -10.805 2.562 1.00 0.00 C ATOM 532 C CYS A 34 5.795 -11.474 1.353 1.00 0.00 C ATOM 533 O CYS A 34 5.882 -10.899 0.288 1.00 0.00 O ATOM 534 CB CYS A 34 3.733 -10.307 2.217 1.00 0.00 C ATOM 535 SG CYS A 34 3.021 -9.493 3.668 1.00 0.00 S ATOM 0 H CYS A 34 5.892 -8.834 2.239 1.00 0.00 H new ATOM 0 HA CYS A 34 5.114 -11.548 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.776 -9.611 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.103 -11.141 1.907 1.00 0.00 H new ATOM 0 HG CYS A 34 1.930 -10.107 4.018 1.00 0.00 H new ATOM 541 N GLU A 35 6.272 -12.681 1.509 1.00 0.00 N ATOM 542 CA GLU A 35 6.932 -13.368 0.364 1.00 0.00 C ATOM 543 C GLU A 35 5.958 -13.516 -0.805 1.00 0.00 C ATOM 544 O GLU A 35 6.352 -13.470 -1.955 1.00 0.00 O ATOM 545 CB GLU A 35 7.340 -14.743 0.897 1.00 0.00 C ATOM 546 CG GLU A 35 8.317 -14.576 2.060 1.00 0.00 C ATOM 547 CD GLU A 35 8.772 -15.956 2.540 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.090 -16.920 2.238 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.797 -16.026 3.200 1.00 0.00 O ATOM 0 H GLU A 35 6.233 -13.217 2.376 1.00 0.00 H new ATOM 0 HA GLU A 35 7.789 -12.805 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.458 -15.292 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.802 -15.329 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.178 -13.986 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.840 -14.033 2.876 1.00 0.00 H new ATOM 556 N SER A 36 4.696 -13.693 -0.535 1.00 0.00 N ATOM 557 CA SER A 36 3.720 -13.840 -1.653 1.00 0.00 C ATOM 558 C SER A 36 2.718 -12.687 -1.649 1.00 0.00 C ATOM 559 O SER A 36 2.880 -11.707 -0.948 1.00 0.00 O ATOM 560 CB SER A 36 3.009 -15.170 -1.402 1.00 0.00 C ATOM 561 OG SER A 36 1.767 -14.922 -0.756 1.00 0.00 O ATOM 0 H SER A 36 4.299 -13.742 0.403 1.00 0.00 H new ATOM 0 HA SER A 36 4.214 -13.822 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.844 -15.692 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.631 -15.818 -0.784 1.00 0.00 H new ATOM 0 HG SER A 36 1.351 -15.774 -0.509 1.00 0.00 H new ATOM 567 N GLY A 37 1.668 -12.811 -2.412 1.00 0.00 N ATOM 568 CA GLY A 37 0.637 -11.740 -2.444 1.00 0.00 C ATOM 569 C GLY A 37 -0.467 -12.170 -1.503 1.00 0.00 C ATOM 570 O GLY A 37 -1.092 -11.377 -0.832 1.00 0.00 O ATOM 0 H GLY A 37 1.480 -13.611 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.061 -10.785 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.252 -11.603 -3.455 1.00 0.00 H new ATOM 574 N GLU A 38 -0.667 -13.451 -1.426 1.00 0.00 N ATOM 575 CA GLU A 38 -1.680 -14.001 -0.510 1.00 0.00 C ATOM 576 C GLU A 38 -1.254 -13.642 0.902 1.00 0.00 C ATOM 577 O GLU A 38 -2.057 -13.343 1.764 1.00 0.00 O ATOM 578 CB GLU A 38 -1.600 -15.505 -0.751 1.00 0.00 C ATOM 579 CG GLU A 38 -2.481 -15.884 -1.942 1.00 0.00 C ATOM 580 CD GLU A 38 -2.395 -17.393 -2.179 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.515 -18.012 -1.608 1.00 0.00 O ATOM 582 OE2 GLU A 38 -3.215 -17.907 -2.926 1.00 0.00 O ATOM 0 H GLU A 38 -0.159 -14.148 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.693 -13.628 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.568 -15.798 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.924 -16.043 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.514 -15.593 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.158 -15.346 -2.833 1.00 0.00 H new ATOM 589 N MET A 39 0.030 -13.647 1.128 1.00 0.00 N ATOM 590 CA MET A 39 0.562 -13.286 2.462 1.00 0.00 C ATOM 591 C MET A 39 0.242 -11.818 2.753 1.00 0.00 C ATOM 592 O MET A 39 -0.153 -11.455 3.846 1.00 0.00 O ATOM 593 CB MET A 39 2.070 -13.514 2.350 1.00 0.00 C ATOM 594 CG MET A 39 2.337 -15.002 2.117 1.00 0.00 C ATOM 595 SD MET A 39 2.057 -15.911 3.655 1.00 0.00 S ATOM 596 CE MET A 39 3.783 -15.983 4.183 1.00 0.00 C ATOM 0 H MET A 39 0.738 -13.889 0.434 1.00 0.00 H new ATOM 0 HA MET A 39 0.130 -13.872 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.479 -12.926 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.569 -13.181 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.682 -15.382 1.333 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.362 -15.150 1.776 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.851 -16.513 5.133 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.372 -16.509 3.431 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.169 -14.971 4.304 1.00 0.00 H new ATOM 606 N LEU A 40 0.385 -10.972 1.766 1.00 0.00 N ATOM 607 CA LEU A 40 0.065 -9.536 1.971 1.00 0.00 C ATOM 608 C LEU A 40 -1.417 -9.404 2.316 1.00 0.00 C ATOM 609 O LEU A 40 -1.793 -8.693 3.226 1.00 0.00 O ATOM 610 CB LEU A 40 0.371 -8.861 0.636 1.00 0.00 C ATOM 611 CG LEU A 40 0.606 -7.368 0.864 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.532 -6.799 1.711 1.00 0.00 C ATOM 613 CD2 LEU A 40 1.934 -7.174 1.597 1.00 0.00 C ATOM 0 H LEU A 40 0.709 -11.217 0.830 1.00 0.00 H new ATOM 0 HA LEU A 40 0.637 -9.084 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.252 -9.314 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.457 -9.008 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 40 0.638 -6.850 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.366 -5.734 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.479 -6.943 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.563 -7.313 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.106 -6.110 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.898 -7.689 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.745 -7.584 0.995 1.00 0.00 H new ATOM 625 N LEU A 41 -2.262 -10.106 1.604 1.00 0.00 N ATOM 626 CA LEU A 41 -3.716 -10.033 1.905 1.00 0.00 C ATOM 627 C LEU A 41 -3.958 -10.451 3.349 1.00 0.00 C ATOM 628 O LEU A 41 -4.788 -9.899 4.030 1.00 0.00 O ATOM 629 CB LEU A 41 -4.382 -11.039 0.962 1.00 0.00 C ATOM 630 CG LEU A 41 -4.141 -10.630 -0.486 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.704 -11.705 -1.417 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.851 -9.306 -0.754 1.00 0.00 C ATOM 0 H LEU A 41 -2.006 -10.722 0.832 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.111 -9.026 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.981 -12.037 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.452 -11.085 1.163 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.072 -10.518 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.533 -11.415 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.207 -12.654 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.775 -11.813 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.683 -9.006 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.920 -9.425 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.457 -8.540 -0.086 1.00 0.00 H new ATOM 644 N GLU A 42 -3.249 -11.435 3.815 1.00 0.00 N ATOM 645 CA GLU A 42 -3.458 -11.886 5.214 1.00 0.00 C ATOM 646 C GLU A 42 -3.198 -10.737 6.185 1.00 0.00 C ATOM 647 O GLU A 42 -3.927 -10.546 7.141 1.00 0.00 O ATOM 648 CB GLU A 42 -2.454 -13.010 5.438 1.00 0.00 C ATOM 649 CG GLU A 42 -2.649 -13.562 6.850 1.00 0.00 C ATOM 650 CD GLU A 42 -1.635 -14.674 7.108 1.00 0.00 C ATOM 651 OE1 GLU A 42 -0.966 -15.073 6.169 1.00 0.00 O ATOM 652 OE2 GLU A 42 -1.547 -15.112 8.244 1.00 0.00 O ATOM 0 H GLU A 42 -2.537 -11.945 3.291 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.481 -12.222 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.598 -13.799 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.437 -12.639 5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.525 -12.765 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.663 -13.946 6.965 1.00 0.00 H new ATOM 659 N TYR A 43 -2.177 -9.963 5.950 1.00 0.00 N ATOM 660 CA TYR A 43 -1.898 -8.823 6.868 1.00 0.00 C ATOM 661 C TYR A 43 -2.965 -7.738 6.691 1.00 0.00 C ATOM 662 O TYR A 43 -3.452 -7.167 7.648 1.00 0.00 O ATOM 663 CB TYR A 43 -0.524 -8.297 6.455 1.00 0.00 C ATOM 664 CG TYR A 43 -0.319 -6.924 7.049 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.762 -5.789 6.357 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.309 -6.783 8.291 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.575 -4.515 6.906 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.497 -5.510 8.839 1.00 0.00 C ATOM 669 CZ TYR A 43 0.055 -4.375 8.147 1.00 0.00 C ATOM 670 OH TYR A 43 0.245 -3.120 8.691 1.00 0.00 O ATOM 0 H TYR A 43 -1.528 -10.068 5.170 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.914 -9.123 7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.257 -8.975 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.450 -8.251 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.248 -5.897 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.649 -7.657 8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.917 -3.641 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.984 -5.402 9.797 1.00 0.00 H new ATOM 0 HH TYR A 43 0.696 -3.204 9.557 1.00 0.00 H new ATOM 680 N ALA A 44 -3.323 -7.448 5.469 1.00 0.00 N ATOM 681 CA ALA A 44 -4.349 -6.395 5.215 1.00 0.00 C ATOM 682 C ALA A 44 -5.757 -6.945 5.446 1.00 0.00 C ATOM 683 O ALA A 44 -6.670 -6.220 5.793 1.00 0.00 O ATOM 684 CB ALA A 44 -4.158 -6.012 3.750 1.00 0.00 C ATOM 0 H ALA A 44 -2.948 -7.896 4.633 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.236 -5.542 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.877 -5.239 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.146 -5.635 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.314 -6.889 3.121 1.00 0.00 H new ATOM 690 N GLN A 45 -5.944 -8.224 5.266 1.00 0.00 N ATOM 691 CA GLN A 45 -7.292 -8.818 5.480 1.00 0.00 C ATOM 692 C GLN A 45 -7.767 -8.537 6.906 1.00 0.00 C ATOM 693 O GLN A 45 -8.926 -8.711 7.232 1.00 0.00 O ATOM 694 CB GLN A 45 -7.101 -10.324 5.256 1.00 0.00 C ATOM 695 CG GLN A 45 -7.306 -10.634 3.774 1.00 0.00 C ATOM 696 CD GLN A 45 -6.773 -12.033 3.439 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.197 -12.698 4.279 1.00 0.00 O ATOM 698 NE2 GLN A 45 -6.939 -12.513 2.232 1.00 0.00 N ATOM 0 H GLN A 45 -5.220 -8.883 4.980 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.043 -8.402 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.103 -10.628 5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.811 -10.888 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.366 -10.573 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.794 -9.888 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.421 -11.959 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.586 -13.441 1.999 1.00 0.00 H new ATOM 707 N THR A 46 -6.880 -8.116 7.765 1.00 0.00 N ATOM 708 CA THR A 46 -7.282 -7.840 9.173 1.00 0.00 C ATOM 709 C THR A 46 -6.877 -6.412 9.562 1.00 0.00 C ATOM 710 O THR A 46 -7.110 -5.963 10.666 1.00 0.00 O ATOM 711 CB THR A 46 -6.537 -8.903 9.993 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.223 -8.448 10.282 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.474 -10.209 9.179 1.00 0.00 C ATOM 0 H THR A 46 -5.896 -7.951 7.553 1.00 0.00 H new ATOM 0 HA THR A 46 -8.358 -7.896 9.339 1.00 0.00 H new ATOM 0 HB THR A 46 -7.062 -9.083 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.117 -8.349 11.251 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.946 -10.971 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.486 -10.553 8.964 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.945 -10.029 8.243 1.00 0.00 H new ATOM 721 N HIS A 47 -6.298 -5.694 8.640 1.00 0.00 N ATOM 722 CA HIS A 47 -5.896 -4.283 8.901 1.00 0.00 C ATOM 723 C HIS A 47 -6.059 -3.489 7.607 1.00 0.00 C ATOM 724 O HIS A 47 -5.110 -2.966 7.066 1.00 0.00 O ATOM 725 CB HIS A 47 -4.425 -4.341 9.303 1.00 0.00 C ATOM 726 CG HIS A 47 -4.250 -5.341 10.405 1.00 0.00 C ATOM 727 ND1 HIS A 47 -4.912 -5.227 11.617 1.00 0.00 N ATOM 728 CD2 HIS A 47 -3.493 -6.481 10.494 1.00 0.00 C ATOM 729 CE1 HIS A 47 -4.545 -6.272 12.377 1.00 0.00 C ATOM 730 NE2 HIS A 47 -3.680 -7.068 11.740 1.00 0.00 N ATOM 0 H HIS A 47 -6.083 -6.031 7.702 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.496 -3.808 9.677 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.813 -4.618 8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.087 -3.358 9.632 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -5.560 -4.485 11.883 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.850 -6.864 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.905 -6.448 13.380 1.00 0.00 H new ATOM 738 N ARG A 48 -7.255 -3.421 7.096 1.00 0.00 N ATOM 739 CA ARG A 48 -7.481 -2.680 5.815 1.00 0.00 C ATOM 740 C ARG A 48 -7.394 -1.182 6.063 1.00 0.00 C ATOM 741 O ARG A 48 -6.634 -0.468 5.444 1.00 0.00 O ATOM 742 CB ARG A 48 -8.908 -3.022 5.356 1.00 0.00 C ATOM 743 CG ARG A 48 -9.310 -4.425 5.812 1.00 0.00 C ATOM 744 CD ARG A 48 -10.506 -4.912 4.996 1.00 0.00 C ATOM 745 NE ARG A 48 -11.047 -6.056 5.785 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.275 -6.055 6.250 1.00 0.00 C ATOM 747 NH1 ARG A 48 -13.095 -5.060 6.016 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.686 -7.069 6.956 1.00 0.00 N ATOM 0 H ARG A 48 -8.088 -3.844 7.506 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.736 -2.957 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.608 -2.290 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.969 -2.957 4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.472 -5.111 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.562 -4.414 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.251 -4.126 4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.205 -5.225 3.996 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.447 -6.860 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.784 -4.262 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.044 -5.083 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.057 -7.850 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.637 -7.082 7.324 1.00 0.00 H new ATOM 762 N ASP A 49 -8.192 -0.717 6.969 1.00 0.00 N ATOM 763 CA ASP A 49 -8.216 0.732 7.295 1.00 0.00 C ATOM 764 C ASP A 49 -7.166 1.049 8.367 1.00 0.00 C ATOM 765 O ASP A 49 -7.225 2.067 9.025 1.00 0.00 O ATOM 766 CB ASP A 49 -9.630 0.958 7.835 1.00 0.00 C ATOM 767 CG ASP A 49 -10.090 2.384 7.536 1.00 0.00 C ATOM 768 OD1 ASP A 49 -9.412 3.063 6.784 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.119 2.775 8.066 1.00 0.00 O ATOM 0 H ASP A 49 -8.842 -1.287 7.510 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.987 1.369 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.318 0.244 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.649 0.780 8.910 1.00 0.00 H new ATOM 774 N GLN A 50 -6.216 0.172 8.565 1.00 0.00 N ATOM 775 CA GLN A 50 -5.184 0.415 9.614 1.00 0.00 C ATOM 776 C GLN A 50 -3.772 0.505 9.020 1.00 0.00 C ATOM 777 O GLN A 50 -2.802 0.635 9.738 1.00 0.00 O ATOM 778 CB GLN A 50 -5.300 -0.798 10.533 1.00 0.00 C ATOM 779 CG GLN A 50 -6.739 -0.911 11.040 1.00 0.00 C ATOM 780 CD GLN A 50 -6.828 -2.042 12.061 1.00 0.00 C ATOM 781 OE1 GLN A 50 -6.143 -3.040 11.941 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.648 -1.930 13.069 1.00 0.00 N ATOM 0 H GLN A 50 -6.111 -0.700 8.046 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.344 1.362 10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.019 -1.704 9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.613 -0.699 11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.051 0.029 11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.416 -1.103 10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.222 -1.093 13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.715 -2.680 13.757 1.00 0.00 H new ATOM 791 N ILE A 51 -3.639 0.436 7.726 1.00 0.00 N ATOM 792 CA ILE A 51 -2.277 0.514 7.112 1.00 0.00 C ATOM 793 C ILE A 51 -1.932 1.959 6.778 1.00 0.00 C ATOM 794 O ILE A 51 -2.735 2.688 6.233 1.00 0.00 O ATOM 795 CB ILE A 51 -2.369 -0.308 5.827 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.128 -1.606 6.105 1.00 0.00 C ATOM 797 CG2 ILE A 51 -0.963 -0.637 5.320 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.652 -2.208 7.431 1.00 0.00 C ATOM 0 H ILE A 51 -4.409 0.329 7.065 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.505 0.142 7.786 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.898 0.269 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.199 -1.410 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.965 -2.315 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.034 -1.223 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.423 0.288 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.428 -1.211 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.195 -3.133 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.584 -2.419 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.838 -1.501 8.239 1.00 0.00 H new ATOM 810 N ASP A 52 -0.741 2.380 7.088 1.00 0.00 N ATOM 811 CA ASP A 52 -0.356 3.778 6.768 1.00 0.00 C ATOM 812 C ASP A 52 0.254 3.843 5.364 1.00 0.00 C ATOM 813 O ASP A 52 0.353 4.897 4.772 1.00 0.00 O ATOM 814 CB ASP A 52 0.662 4.171 7.831 1.00 0.00 C ATOM 815 CG ASP A 52 -0.077 4.675 9.073 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.122 5.281 8.909 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.415 4.446 10.165 1.00 0.00 O ATOM 0 H ASP A 52 -0.022 1.821 7.546 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.210 4.456 6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.287 3.315 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.325 4.947 7.448 1.00 0.00 H new ATOM 822 N CYS A 53 0.667 2.726 4.825 1.00 0.00 N ATOM 823 CA CYS A 53 1.264 2.747 3.459 1.00 0.00 C ATOM 824 C CYS A 53 1.541 1.328 2.949 1.00 0.00 C ATOM 825 O CYS A 53 2.410 0.643 3.453 1.00 0.00 O ATOM 826 CB CYS A 53 2.571 3.511 3.638 1.00 0.00 C ATOM 827 SG CYS A 53 2.454 5.091 2.769 1.00 0.00 S ATOM 0 H CYS A 53 0.617 1.808 5.267 1.00 0.00 H new ATOM 0 HA CYS A 53 0.598 3.205 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.767 3.678 4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.405 2.927 3.247 1.00 0.00 H new ATOM 0 HG CYS A 53 1.441 5.764 3.227 1.00 0.00 H new ATOM 833 N LEU A 54 0.833 0.883 1.940 1.00 0.00 N ATOM 834 CA LEU A 54 1.101 -0.486 1.403 1.00 0.00 C ATOM 835 C LEU A 54 2.129 -0.394 0.270 1.00 0.00 C ATOM 836 O LEU A 54 1.964 0.367 -0.659 1.00 0.00 O ATOM 837 CB LEU A 54 -0.239 -0.990 0.856 1.00 0.00 C ATOM 838 CG LEU A 54 0.026 -2.125 -0.140 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.826 -3.233 0.545 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.294 -2.698 -0.659 1.00 0.00 C ATOM 0 H LEU A 54 0.090 1.401 1.470 1.00 0.00 H new ATOM 0 HA LEU A 54 1.497 -1.156 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.870 -1.344 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.776 -0.177 0.367 1.00 0.00 H new ATOM 0 HG LEU A 54 0.594 -1.727 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.013 -4.039 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.776 -2.831 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.260 -3.620 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.089 -3.503 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.875 -3.088 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.860 -1.912 -1.159 1.00 0.00 H new ATOM 852 N ILE A 55 3.185 -1.157 0.315 1.00 0.00 N ATOM 853 CA ILE A 55 4.176 -1.066 -0.798 1.00 0.00 C ATOM 854 C ILE A 55 3.925 -2.152 -1.830 1.00 0.00 C ATOM 855 O ILE A 55 3.610 -3.274 -1.498 1.00 0.00 O ATOM 856 CB ILE A 55 5.542 -1.276 -0.178 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.750 -0.301 0.972 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.605 -1.043 -1.253 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.087 -0.615 1.630 1.00 0.00 C ATOM 0 H ILE A 55 3.404 -1.825 1.054 1.00 0.00 H new ATOM 0 HA ILE A 55 4.099 -0.101 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 55 5.619 -2.291 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.739 0.726 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.940 -0.390 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.596 -1.190 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.456 -1.748 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.522 -0.024 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.256 0.074 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.076 -1.638 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.887 -0.505 0.898 1.00 0.00 H new ATOM 871 N LEU A 56 4.071 -1.831 -3.085 1.00 0.00 N ATOM 872 CA LEU A 56 3.845 -2.857 -4.136 1.00 0.00 C ATOM 873 C LEU A 56 4.875 -2.742 -5.260 1.00 0.00 C ATOM 874 O LEU A 56 5.328 -1.669 -5.604 1.00 0.00 O ATOM 875 CB LEU A 56 2.452 -2.567 -4.674 1.00 0.00 C ATOM 876 CG LEU A 56 1.406 -3.030 -3.665 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.021 -2.887 -4.293 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.654 -4.497 -3.298 1.00 0.00 C ATOM 0 H LEU A 56 4.336 -0.907 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 56 3.940 -3.866 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.340 -1.500 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.305 -3.078 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 56 1.470 -2.423 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.737 -3.215 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.154 -1.843 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.036 -3.501 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.904 -4.823 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.587 -5.113 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.647 -4.600 -2.861 1.00 0.00 H new ATOM 890 N VAL A 57 5.223 -3.849 -5.846 1.00 0.00 N ATOM 891 CA VAL A 57 6.203 -3.831 -6.965 1.00 0.00 C ATOM 892 C VAL A 57 5.522 -4.330 -8.241 1.00 0.00 C ATOM 893 O VAL A 57 5.158 -5.485 -8.350 1.00 0.00 O ATOM 894 CB VAL A 57 7.306 -4.798 -6.546 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.404 -4.814 -7.611 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.893 -4.350 -5.206 1.00 0.00 C ATOM 0 H VAL A 57 4.869 -4.773 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 57 6.594 -2.833 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 57 6.892 -5.801 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.192 -5.505 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.982 -5.136 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.821 -3.813 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.681 -5.040 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.308 -3.347 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.109 -4.343 -4.449 1.00 0.00 H new ATOM 906 N ALA A 58 5.340 -3.476 -9.203 1.00 0.00 N ATOM 907 CA ALA A 58 4.672 -3.905 -10.464 1.00 0.00 C ATOM 908 C ALA A 58 5.500 -4.972 -11.187 1.00 0.00 C ATOM 909 O ALA A 58 4.982 -5.742 -11.970 1.00 0.00 O ATOM 910 CB ALA A 58 4.583 -2.635 -11.305 1.00 0.00 C ATOM 0 H ALA A 58 5.624 -2.497 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 58 3.695 -4.350 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.101 -2.862 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.998 -1.886 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.586 -2.249 -11.489 1.00 0.00 H new ATOM 916 N ALA A 59 6.782 -5.019 -10.946 1.00 0.00 N ATOM 917 CA ALA A 59 7.634 -6.033 -11.642 1.00 0.00 C ATOM 918 C ALA A 59 7.069 -7.447 -11.463 1.00 0.00 C ATOM 919 O ALA A 59 7.427 -8.354 -12.188 1.00 0.00 O ATOM 920 CB ALA A 59 9.014 -5.919 -10.991 1.00 0.00 C ATOM 0 H ALA A 59 7.277 -4.403 -10.301 1.00 0.00 H new ATOM 0 HA ALA A 59 7.672 -5.852 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.694 -6.635 -11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.400 -4.909 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.932 -6.131 -9.925 1.00 0.00 H new ATOM 926 N ASN A 60 6.195 -7.658 -10.513 1.00 0.00 N ATOM 927 CA ASN A 60 5.642 -9.033 -10.336 1.00 0.00 C ATOM 928 C ASN A 60 4.707 -9.378 -11.497 1.00 0.00 C ATOM 929 O ASN A 60 4.288 -8.513 -12.242 1.00 0.00 O ATOM 930 CB ASN A 60 4.877 -9.007 -9.019 1.00 0.00 C ATOM 931 CG ASN A 60 5.823 -9.379 -7.881 1.00 0.00 C ATOM 932 OD1 ASN A 60 5.494 -10.192 -7.037 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.998 -8.817 -7.822 1.00 0.00 N ATOM 0 H ASN A 60 5.846 -6.953 -9.864 1.00 0.00 H new ATOM 0 HA ASN A 60 6.428 -9.788 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.456 -8.016 -8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.041 -9.706 -9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.642 -9.059 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.274 -8.136 -8.529 1.00 0.00 H new ATOM 940 N PRO A 61 4.425 -10.644 -11.612 1.00 0.00 N ATOM 941 CA PRO A 61 3.544 -11.138 -12.695 1.00 0.00 C ATOM 942 C PRO A 61 2.066 -10.843 -12.400 1.00 0.00 C ATOM 943 O PRO A 61 1.492 -9.915 -12.936 1.00 0.00 O ATOM 944 CB PRO A 61 3.812 -12.641 -12.708 1.00 0.00 C ATOM 945 CG PRO A 61 4.306 -12.973 -11.333 1.00 0.00 C ATOM 946 CD PRO A 61 4.903 -11.722 -10.743 1.00 0.00 C ATOM 0 HA PRO A 61 3.745 -10.658 -13.653 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.906 -13.199 -12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.553 -12.901 -13.464 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.488 -13.336 -10.711 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.051 -13.768 -11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.579 -11.575 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.992 -11.769 -10.731 1.00 0.00 H new ATOM 954 N SER A 62 1.449 -11.634 -11.571 1.00 0.00 N ATOM 955 CA SER A 62 0.005 -11.416 -11.256 1.00 0.00 C ATOM 956 C SER A 62 -0.168 -10.357 -10.159 1.00 0.00 C ATOM 957 O SER A 62 -1.212 -10.258 -9.547 1.00 0.00 O ATOM 958 CB SER A 62 -0.484 -12.776 -10.758 1.00 0.00 C ATOM 959 OG SER A 62 0.589 -13.445 -10.108 1.00 0.00 O ATOM 0 H SER A 62 1.881 -12.426 -11.094 1.00 0.00 H new ATOM 0 HA SER A 62 -0.552 -11.056 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.319 -12.647 -10.069 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.849 -13.374 -11.593 1.00 0.00 H new ATOM 0 HG SER A 62 0.282 -14.318 -9.784 1.00 0.00 H new ATOM 965 N PHE A 63 0.841 -9.575 -9.899 1.00 0.00 N ATOM 966 CA PHE A 63 0.723 -8.537 -8.830 1.00 0.00 C ATOM 967 C PHE A 63 -0.601 -7.774 -8.963 1.00 0.00 C ATOM 968 O PHE A 63 -1.323 -7.600 -8.003 1.00 0.00 O ATOM 969 CB PHE A 63 1.937 -7.623 -9.047 1.00 0.00 C ATOM 970 CG PHE A 63 1.643 -6.200 -8.614 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.384 -5.915 -7.270 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.637 -5.169 -9.559 1.00 0.00 C ATOM 973 CE1 PHE A 63 1.123 -4.601 -6.874 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.379 -3.855 -9.163 1.00 0.00 C ATOM 975 CZ PHE A 63 1.118 -3.570 -7.819 1.00 0.00 C ATOM 0 H PHE A 63 1.741 -9.607 -10.377 1.00 0.00 H new ATOM 0 HA PHE A 63 0.716 -8.961 -7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.788 -8.007 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.219 -7.634 -10.100 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.386 -6.710 -6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.832 -5.390 -10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.925 -4.381 -5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.381 -3.060 -9.894 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.913 -2.555 -7.511 1.00 0.00 H new ATOM 985 N ARG A 64 -0.926 -7.319 -10.138 1.00 0.00 N ATOM 986 CA ARG A 64 -2.204 -6.569 -10.316 1.00 0.00 C ATOM 987 C ARG A 64 -3.369 -7.369 -9.737 1.00 0.00 C ATOM 988 O ARG A 64 -4.235 -6.837 -9.072 1.00 0.00 O ATOM 989 CB ARG A 64 -2.355 -6.413 -11.825 1.00 0.00 C ATOM 990 CG ARG A 64 -1.724 -5.089 -12.255 1.00 0.00 C ATOM 991 CD ARG A 64 -0.211 -5.270 -12.370 1.00 0.00 C ATOM 992 NE ARG A 64 -0.010 -5.974 -13.665 1.00 0.00 N ATOM 993 CZ ARG A 64 1.150 -6.502 -13.956 1.00 0.00 C ATOM 994 NH1 ARG A 64 2.158 -6.359 -13.143 1.00 0.00 N ATOM 995 NH2 ARG A 64 1.304 -7.160 -15.071 1.00 0.00 N ATOM 0 H ARG A 64 -0.366 -7.432 -10.983 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.198 -5.607 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.873 -7.244 -12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.409 -6.435 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.138 -4.768 -13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.955 -4.309 -11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.304 -4.310 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.182 -5.853 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.781 -6.045 -14.329 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.044 -5.834 -12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.062 -6.772 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.520 -7.262 -15.715 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.209 -7.572 -15.299 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.386 -8.645 -9.981 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.486 -9.491 -9.438 1.00 0.00 C ATOM 1011 C ALA A 65 -4.459 -9.461 -7.906 1.00 0.00 C ATOM 1012 O ALA A 65 -5.481 -9.549 -7.258 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.203 -10.895 -9.968 1.00 0.00 C ATOM 0 H ALA A 65 -2.687 -9.142 -10.533 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.474 -9.143 -9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.972 -11.580 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.208 -10.880 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.227 -11.228 -9.614 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.304 -9.321 -7.320 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.239 -9.266 -5.835 1.00 0.00 C ATOM 1021 C VAL A 66 -3.748 -7.906 -5.358 1.00 0.00 C ATOM 1022 O VAL A 66 -4.530 -7.813 -4.430 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.767 -9.433 -5.484 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.555 -9.117 -3.997 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.336 -10.873 -5.769 1.00 0.00 C ATOM 0 H VAL A 66 -2.408 -9.243 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.850 -10.035 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.169 -8.749 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.501 -9.237 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.862 -8.091 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.152 -9.799 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.282 -10.994 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.933 -11.558 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.485 -11.095 -6.826 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.316 -6.846 -5.993 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.789 -5.497 -5.575 1.00 0.00 C ATOM 1037 C VAL A 67 -5.305 -5.430 -5.715 1.00 0.00 C ATOM 1038 O VAL A 67 -5.980 -4.781 -4.941 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.130 -4.497 -6.525 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.226 -3.094 -5.927 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.659 -4.853 -6.728 1.00 0.00 C ATOM 0 H VAL A 67 -2.662 -6.858 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.532 -5.280 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.643 -4.531 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.757 -2.378 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.274 -2.829 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.716 -3.073 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.201 -4.133 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.143 -4.827 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.582 -5.853 -7.154 1.00 0.00 H new ATOM 1051 N GLN A 68 -5.857 -6.102 -6.697 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.335 -6.067 -6.854 1.00 0.00 C ATOM 1053 C GLN A 68 -7.965 -6.760 -5.653 1.00 0.00 C ATOM 1054 O GLN A 68 -8.937 -6.296 -5.094 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.649 -6.797 -8.175 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.126 -8.235 -7.916 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.390 -8.936 -9.251 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.522 -9.001 -10.102 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -9.563 -9.468 -9.474 1.00 0.00 N ATOM 0 H GLN A 68 -5.353 -6.663 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.736 -5.054 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.416 -6.250 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.759 -6.814 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.373 -8.782 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.034 -8.225 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.291 -9.414 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.750 -9.937 -10.360 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.409 -7.866 -5.238 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.988 -8.558 -4.064 1.00 0.00 C ATOM 1070 C GLN A 69 -8.011 -7.586 -2.891 1.00 0.00 C ATOM 1071 O GLN A 69 -8.982 -7.493 -2.171 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.070 -9.743 -3.774 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.762 -10.670 -2.776 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.900 -11.419 -3.473 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -9.675 -10.838 -4.208 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.042 -12.700 -3.271 1.00 0.00 N ATOM 0 H GLN A 69 -6.592 -8.311 -5.657 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.008 -8.901 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.845 -10.281 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.120 -9.394 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.044 -11.380 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.153 -10.092 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.396 -13.194 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.799 -13.208 -3.728 1.00 0.00 H new ATOM 1085 N LEU A 70 -6.962 -6.823 -2.710 1.00 0.00 N ATOM 1086 CA LEU A 70 -6.974 -5.833 -1.601 1.00 0.00 C ATOM 1087 C LEU A 70 -8.197 -4.937 -1.780 1.00 0.00 C ATOM 1088 O LEU A 70 -8.915 -4.644 -0.845 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.680 -5.027 -1.749 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.568 -5.678 -0.924 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.256 -5.643 -1.705 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.389 -4.900 0.381 1.00 0.00 C ATOM 0 H LEU A 70 -6.113 -6.844 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.027 -6.293 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.388 -4.980 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.839 -4.001 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.837 -6.712 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.468 -6.108 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.375 -6.188 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.987 -4.608 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.598 -5.360 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.121 -3.868 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.321 -4.917 0.946 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.445 -4.527 -2.993 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.633 -3.676 -3.269 1.00 0.00 C ATOM 1106 C CYS A 71 -10.904 -4.521 -3.154 1.00 0.00 C ATOM 1107 O CYS A 71 -11.901 -4.101 -2.595 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.456 -3.205 -4.713 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.911 -2.283 -4.883 1.00 0.00 S ATOM 0 H CYS A 71 -7.872 -4.747 -3.808 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.719 -2.843 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.452 -4.063 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.297 -2.576 -5.004 1.00 0.00 H new ATOM 0 HG CYS A 71 -6.913 -3.114 -4.931 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.871 -5.712 -3.690 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.065 -6.602 -3.632 1.00 0.00 C ATOM 1117 C PHE A 72 -12.557 -6.743 -2.190 1.00 0.00 C ATOM 1118 O PHE A 72 -13.736 -6.634 -1.915 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.573 -7.945 -4.170 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.668 -8.975 -4.027 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.805 -8.907 -4.841 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.543 -9.998 -3.079 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.820 -9.858 -4.702 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -13.557 -10.950 -2.942 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.695 -10.883 -3.755 1.00 0.00 C ATOM 0 H PHE A 72 -10.062 -6.108 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.903 -6.211 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.286 -7.847 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.685 -8.264 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.898 -8.121 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.664 -10.051 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.701 -9.803 -5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.463 -11.737 -2.209 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.476 -11.621 -3.652 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.669 -6.975 -1.264 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.098 -7.107 0.158 1.00 0.00 C ATOM 1137 C GLU A 73 -12.534 -5.741 0.680 1.00 0.00 C ATOM 1138 O GLU A 73 -13.369 -5.627 1.554 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.859 -7.587 0.914 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.339 -8.871 0.276 1.00 0.00 C ATOM 1141 CD GLU A 73 -9.302 -9.518 1.196 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -8.716 -8.801 1.990 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -9.113 -10.719 1.093 1.00 0.00 O ATOM 0 H GLU A 73 -10.668 -7.079 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.934 -7.796 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.086 -6.819 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.104 -7.762 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.164 -9.561 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.893 -8.652 -0.694 1.00 0.00 H new ATOM 1150 N GLY A 74 -11.955 -4.703 0.147 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.303 -3.332 0.600 1.00 0.00 C ATOM 1152 C GLY A 74 -11.072 -2.703 1.245 1.00 0.00 C ATOM 1153 O GLY A 74 -11.160 -1.713 1.944 1.00 0.00 O ATOM 0 H GLY A 74 -11.250 -4.748 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.637 -2.729 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.127 -3.367 1.313 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.918 -3.277 1.019 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.681 -2.716 1.624 1.00 0.00 C ATOM 1159 C VAL A 75 -8.061 -1.671 0.701 1.00 0.00 C ATOM 1160 O VAL A 75 -7.319 -1.995 -0.204 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.739 -3.906 1.765 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.517 -3.498 2.586 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.462 -5.061 2.463 1.00 0.00 C ATOM 0 H VAL A 75 -9.783 -4.108 0.443 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.880 -2.226 2.577 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.420 -4.229 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.845 -4.350 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.997 -2.682 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.836 -3.170 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.784 -5.909 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.788 -4.741 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.330 -5.357 1.873 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.337 -0.421 0.931 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.736 0.632 0.075 1.00 0.00 C ATOM 1175 C VAL A 76 -6.824 1.503 0.939 1.00 0.00 C ATOM 1176 O VAL A 76 -7.258 2.102 1.898 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.921 1.421 -0.475 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.450 2.307 -1.627 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -9.976 0.439 -0.994 1.00 0.00 C ATOM 0 H VAL A 76 -8.951 -0.084 1.673 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.127 0.239 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.347 2.043 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.295 2.871 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.689 2.998 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.030 1.684 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.827 0.994 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.544 -0.174 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.309 -0.202 -0.178 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.560 1.546 0.629 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.612 2.344 1.461 1.00 0.00 C ATOM 1191 C VAL A 77 -3.637 3.129 0.586 1.00 0.00 C ATOM 1192 O VAL A 77 -3.538 2.890 -0.600 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.833 1.296 2.263 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.690 0.791 3.422 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.464 0.117 1.350 1.00 0.00 C ATOM 0 H VAL A 77 -5.139 1.063 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.137 3.068 2.084 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.924 1.750 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.132 0.046 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.948 1.625 4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.602 0.341 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.910 -0.627 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.373 -0.334 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.846 0.474 0.526 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.904 4.014 1.216 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.886 4.796 0.483 1.00 0.00 C ATOM 1207 C PRO A 78 -0.806 3.819 0.045 1.00 0.00 C ATOM 1208 O PRO A 78 0.206 3.646 0.698 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.365 5.783 1.525 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.660 5.132 2.834 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.941 4.362 2.641 1.00 0.00 C ATOM 0 HA PRO A 78 -2.247 5.318 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.297 5.963 1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.863 6.749 1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.848 4.468 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.768 5.876 3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.978 3.474 3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.815 4.965 2.887 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.049 3.137 -1.031 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.089 2.114 -1.502 1.00 0.00 C ATOM 1221 C ALA A 79 0.915 2.708 -2.489 1.00 0.00 C ATOM 1222 O ALA A 79 0.553 3.266 -3.503 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.971 1.071 -2.185 1.00 0.00 C ATOM 0 H ALA A 79 -1.881 3.246 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 79 0.507 1.698 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.348 0.264 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.682 0.667 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.514 1.536 -3.008 1.00 0.00 H new ATOM 1229 N ILE A 80 2.180 2.579 -2.203 1.00 0.00 N ATOM 1230 CA ILE A 80 3.208 3.122 -3.127 1.00 0.00 C ATOM 1231 C ILE A 80 3.616 2.035 -4.123 1.00 0.00 C ATOM 1232 O ILE A 80 4.198 1.032 -3.757 1.00 0.00 O ATOM 1233 CB ILE A 80 4.384 3.506 -2.231 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.881 4.412 -1.102 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.425 4.249 -3.065 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.970 4.550 -0.032 1.00 0.00 C ATOM 0 H ILE A 80 2.545 2.120 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 80 2.852 3.975 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 80 4.835 2.611 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.619 5.393 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.975 3.994 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.268 4.526 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.774 3.603 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.978 5.148 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.612 5.194 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.210 3.566 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.864 4.987 -0.477 1.00 0.00 H new ATOM 1248 N VAL A 81 3.308 2.216 -5.377 1.00 0.00 N ATOM 1249 CA VAL A 81 3.669 1.178 -6.383 1.00 0.00 C ATOM 1250 C VAL A 81 5.037 1.464 -7.000 1.00 0.00 C ATOM 1251 O VAL A 81 5.431 2.599 -7.170 1.00 0.00 O ATOM 1252 CB VAL A 81 2.585 1.258 -7.448 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.669 0.015 -8.335 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.207 1.319 -6.781 1.00 0.00 C ATOM 0 H VAL A 81 2.824 3.034 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 81 3.732 0.188 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 81 2.728 2.155 -8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.896 0.062 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.649 -0.028 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.522 -0.877 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.434 1.376 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.055 0.424 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.151 2.200 -6.142 1.00 0.00 H new ATOM 1264 N VAL A 82 5.762 0.433 -7.331 1.00 0.00 N ATOM 1265 CA VAL A 82 7.112 0.621 -7.932 1.00 0.00 C ATOM 1266 C VAL A 82 7.199 -0.095 -9.284 1.00 0.00 C ATOM 1267 O VAL A 82 6.318 -0.843 -9.659 1.00 0.00 O ATOM 1268 CB VAL A 82 8.079 -0.020 -6.936 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.492 0.505 -7.191 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.653 0.325 -5.506 1.00 0.00 C ATOM 0 H VAL A 82 5.476 -0.539 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 82 7.337 1.672 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 82 8.064 -1.103 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.183 0.049 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.796 0.253 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.506 1.588 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.345 -0.134 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.664 1.407 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.646 -0.052 -5.325 1.00 0.00 H new ATOM 1280 N GLY A 83 8.264 0.116 -10.014 1.00 0.00 N ATOM 1281 CA GLY A 83 8.412 -0.573 -11.330 1.00 0.00 C ATOM 1282 C GLY A 83 8.085 0.373 -12.491 1.00 0.00 C ATOM 1283 O GLY A 83 7.713 -0.062 -13.560 1.00 0.00 O ATOM 0 H GLY A 83 9.034 0.733 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.431 -0.945 -11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.751 -1.439 -11.366 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.555 -0.299 -11.264 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.828 -1.299 -10.436 1.00 0.00 C ATOM 1494 C LEU A 98 -3.506 -1.425 -9.082 1.00 0.00 C ATOM 1495 O LEU A 98 -3.609 -2.496 -8.513 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.425 -0.722 -10.250 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.686 -0.690 -11.584 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.671 -0.009 -11.392 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.472 -2.120 -12.073 1.00 0.00 C ATOM 0 HA LEU A 98 -2.811 -2.285 -10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.490 0.285 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.868 -1.325 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.272 -0.136 -12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.203 0.016 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.520 1.009 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.258 -0.567 -10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.056 -2.103 -13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.119 -2.670 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.438 -2.609 -12.201 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.959 -0.324 -8.558 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.622 -0.348 -7.232 1.00 0.00 C ATOM 1513 C TYR A 99 -5.790 0.644 -7.213 1.00 0.00 C ATOM 1514 O TYR A 99 -6.556 0.726 -8.151 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.530 0.074 -6.244 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.848 -0.441 -4.856 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.146 -0.862 -4.539 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.842 -0.488 -3.885 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.436 -1.328 -3.251 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.134 -0.954 -2.597 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.431 -1.376 -2.281 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.719 -1.840 -1.013 1.00 0.00 O ATOM 0 H TYR A 99 -3.897 0.596 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.036 -1.326 -6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.565 -0.314 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.447 1.161 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.923 -0.827 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.841 -0.165 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.437 -1.651 -3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.358 -0.988 -1.847 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.681 -1.759 -0.846 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.938 1.403 -6.156 1.00 0.00 N ATOM 1533 CA HIS A 100 -7.065 2.383 -6.105 1.00 0.00 C ATOM 1534 C HIS A 100 -6.674 3.696 -6.799 1.00 0.00 C ATOM 1535 O HIS A 100 -5.610 3.809 -7.373 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.375 2.597 -4.619 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.196 3.185 -3.896 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -6.178 4.519 -3.468 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.015 2.633 -3.460 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -5.024 4.715 -2.800 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.310 3.602 -2.779 1.00 0.00 N ATOM 0 H HIS A 100 -5.334 1.387 -5.334 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.945 2.014 -6.632 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -8.235 3.259 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.648 1.646 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -4.694 1.615 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.725 5.648 -2.346 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.399 3.482 -2.337 1.00 0.00 H new ATOM 1549 N SER A 101 -7.541 4.675 -6.782 1.00 0.00 N ATOM 1550 CA SER A 101 -7.232 5.963 -7.479 1.00 0.00 C ATOM 1551 C SER A 101 -6.369 6.892 -6.616 1.00 0.00 C ATOM 1552 O SER A 101 -6.313 8.084 -6.854 1.00 0.00 O ATOM 1553 CB SER A 101 -8.597 6.599 -7.741 1.00 0.00 C ATOM 1554 OG SER A 101 -8.790 7.690 -6.850 1.00 0.00 O ATOM 0 H SER A 101 -8.448 4.640 -6.317 1.00 0.00 H new ATOM 0 HA SER A 101 -6.661 5.791 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.658 6.944 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.387 5.860 -7.605 1.00 0.00 H new ATOM 0 HG SER A 101 -9.664 8.099 -7.019 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.696 6.381 -5.620 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.855 7.288 -4.782 1.00 0.00 C ATOM 1562 C ALA A 102 -3.483 6.668 -4.466 1.00 0.00 C ATOM 1563 O ALA A 102 -2.587 7.356 -4.019 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.663 7.517 -3.505 1.00 0.00 C ATOM 0 H ALA A 102 -5.690 5.397 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.638 8.221 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.109 8.176 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.619 7.976 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.839 6.562 -3.009 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.291 5.387 -4.687 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.955 4.793 -4.381 1.00 0.00 C ATOM 1572 C GLU A 103 -0.859 5.628 -5.043 1.00 0.00 C ATOM 1573 O GLU A 103 -1.048 6.180 -6.108 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.987 3.359 -4.944 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.689 3.351 -6.452 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.960 3.693 -7.227 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -3.407 4.824 -7.127 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.464 2.819 -7.911 1.00 0.00 O ATOM 0 H GLU A 103 -3.988 4.741 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.744 4.779 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.254 2.743 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.965 2.915 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.905 4.073 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.319 2.371 -6.755 1.00 0.00 H new ATOM 1585 N LEU A 104 0.284 5.733 -4.427 1.00 0.00 N ATOM 1586 CA LEU A 104 1.377 6.541 -5.039 1.00 0.00 C ATOM 1587 C LEU A 104 2.289 5.649 -5.882 1.00 0.00 C ATOM 1588 O LEU A 104 2.433 4.471 -5.632 1.00 0.00 O ATOM 1589 CB LEU A 104 2.160 7.129 -3.862 1.00 0.00 C ATOM 1590 CG LEU A 104 1.684 8.558 -3.584 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.202 8.546 -3.210 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.493 9.141 -2.423 1.00 0.00 C ATOM 0 H LEU A 104 0.509 5.298 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 104 0.985 7.317 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.020 6.511 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.227 7.128 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 104 1.826 9.167 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.132 9.565 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.377 8.127 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.057 7.938 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.158 10.158 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.347 8.528 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.551 9.153 -2.686 1.00 0.00 H new ATOM 1604 N HIS A 105 2.916 6.214 -6.872 1.00 0.00 N ATOM 1605 CA HIS A 105 3.832 5.416 -7.728 1.00 0.00 C ATOM 1606 C HIS A 105 5.271 5.878 -7.494 1.00 0.00 C ATOM 1607 O HIS A 105 5.535 7.047 -7.306 1.00 0.00 O ATOM 1608 CB HIS A 105 3.393 5.706 -9.161 1.00 0.00 C ATOM 1609 CG HIS A 105 2.013 5.149 -9.393 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.248 5.502 -10.495 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.250 4.257 -8.679 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.086 4.829 -10.414 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.035 4.056 -9.326 1.00 0.00 N ATOM 0 H HIS A 105 2.833 7.198 -7.126 1.00 0.00 H new ATOM 0 HA HIS A 105 3.794 4.349 -7.510 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.397 6.781 -9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.098 5.262 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.548 3.784 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.709 4.905 -11.141 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.730 3.449 -9.033 1.00 0.00 H new ATOM 1621 N LEU A 106 6.204 4.969 -7.494 1.00 0.00 N ATOM 1622 CA LEU A 106 7.627 5.360 -7.258 1.00 0.00 C ATOM 1623 C LEU A 106 8.542 4.733 -8.311 1.00 0.00 C ATOM 1624 O LEU A 106 8.288 3.651 -8.800 1.00 0.00 O ATOM 1625 CB LEU A 106 7.959 4.806 -5.873 1.00 0.00 C ATOM 1626 CG LEU A 106 9.420 5.106 -5.538 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.585 6.596 -5.233 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.834 4.287 -4.313 1.00 0.00 C ATOM 0 H LEU A 106 6.047 3.973 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 106 7.770 6.439 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.305 5.253 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.783 3.731 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 106 10.049 4.842 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.628 6.805 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.287 7.181 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.958 6.865 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.875 4.497 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.202 4.555 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.719 3.225 -4.530 1.00 0.00 H new ATOM 1640 N GLY A 107 9.610 5.398 -8.653 1.00 0.00 N ATOM 1641 CA GLY A 107 10.543 4.830 -9.664 1.00 0.00 C ATOM 1642 C GLY A 107 11.301 3.658 -9.038 1.00 0.00 C ATOM 1643 O GLY A 107 11.511 3.609 -7.840 1.00 0.00 O ATOM 0 H GLY A 107 9.876 6.308 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.989 4.495 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.243 5.594 -10.002 1.00 0.00 H new ATOM 1647 N ILE A 108 11.714 2.716 -9.836 1.00 0.00 N ATOM 1648 CA ILE A 108 12.456 1.554 -9.301 1.00 0.00 C ATOM 1649 C ILE A 108 13.737 2.021 -8.606 1.00 0.00 C ATOM 1650 O ILE A 108 14.140 1.481 -7.592 1.00 0.00 O ATOM 1651 CB ILE A 108 12.767 0.738 -10.542 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.467 0.154 -11.095 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.720 -0.384 -10.179 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.708 -0.381 -12.505 1.00 0.00 C ATOM 0 H ILE A 108 11.566 2.705 -10.845 1.00 0.00 H new ATOM 0 HA ILE A 108 11.901 0.985 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 108 13.231 1.373 -11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.111 -0.647 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.691 0.919 -11.113 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.945 -0.972 -11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.642 0.037 -9.779 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.258 -1.025 -9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.781 -0.797 -12.899 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.044 0.431 -13.150 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.471 -1.159 -12.474 1.00 0.00 H new ATOM 1666 N HIS A 109 14.370 3.028 -9.138 1.00 0.00 N ATOM 1667 CA HIS A 109 15.613 3.545 -8.501 1.00 0.00 C ATOM 1668 C HIS A 109 15.262 4.714 -7.576 1.00 0.00 C ATOM 1669 O HIS A 109 16.122 5.443 -7.118 1.00 0.00 O ATOM 1670 CB HIS A 109 16.506 4.003 -9.658 1.00 0.00 C ATOM 1671 CG HIS A 109 16.050 5.344 -10.169 1.00 0.00 C ATOM 1672 ND1 HIS A 109 16.655 6.527 -9.775 1.00 0.00 N ATOM 1673 CD2 HIS A 109 15.056 5.705 -11.047 1.00 0.00 C ATOM 1674 CE1 HIS A 109 16.028 7.535 -10.409 1.00 0.00 C ATOM 1675 NE2 HIS A 109 15.045 7.089 -11.197 1.00 0.00 N ATOM 0 H HIS A 109 14.081 3.516 -9.986 1.00 0.00 H new ATOM 0 HA HIS A 109 16.118 2.794 -7.893 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.542 4.066 -9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.475 3.269 -10.463 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.386 5.020 -11.545 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.288 8.577 -10.295 1.00 0.00 H new ATOM 0 HE2 HIS A 109 14.421 7.644 -11.783 1.00 0.00 H new ATOM 1683 N GLN A 110 13.997 4.889 -7.292 1.00 0.00 N ATOM 1684 CA GLN A 110 13.577 5.998 -6.390 1.00 0.00 C ATOM 1685 C GLN A 110 12.986 5.416 -5.108 1.00 0.00 C ATOM 1686 O GLN A 110 12.127 6.001 -4.479 1.00 0.00 O ATOM 1687 CB GLN A 110 12.523 6.781 -7.175 1.00 0.00 C ATOM 1688 CG GLN A 110 13.167 7.372 -8.432 1.00 0.00 C ATOM 1689 CD GLN A 110 12.273 8.476 -9.011 1.00 0.00 C ATOM 1690 OE1 GLN A 110 12.710 9.246 -9.843 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.035 8.589 -8.613 1.00 0.00 N ATOM 0 H GLN A 110 13.237 4.309 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 110 14.408 6.640 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 110 11.696 6.126 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.108 7.577 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.149 7.778 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.319 6.589 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 110 10.663 7.945 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.440 9.321 -9.000 1.00 0.00 H new ATOM 1700 N LEU A 111 13.443 4.257 -4.725 1.00 0.00 N ATOM 1701 CA LEU A 111 12.924 3.608 -3.490 1.00 0.00 C ATOM 1702 C LEU A 111 13.198 4.472 -2.264 1.00 0.00 C ATOM 1703 O LEU A 111 12.378 4.581 -1.376 1.00 0.00 O ATOM 1704 CB LEU A 111 13.691 2.294 -3.391 1.00 0.00 C ATOM 1705 CG LEU A 111 13.339 1.408 -4.580 1.00 0.00 C ATOM 1706 CD1 LEU A 111 14.209 0.153 -4.549 1.00 0.00 C ATOM 1707 CD2 LEU A 111 11.864 1.016 -4.491 1.00 0.00 C ATOM 0 H LEU A 111 14.161 3.727 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 111 11.845 3.461 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 111 14.764 2.487 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.443 1.786 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 111 13.517 1.946 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.960 -0.483 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 111 15.260 0.437 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.029 -0.392 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.604 0.382 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.687 0.472 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.247 1.914 -4.508 1.00 0.00 H new ATOM 1719 N GLU A 112 14.346 5.080 -2.204 1.00 0.00 N ATOM 1720 CA GLU A 112 14.666 5.927 -1.022 1.00 0.00 C ATOM 1721 C GLU A 112 13.579 6.986 -0.834 1.00 0.00 C ATOM 1722 O GLU A 112 13.453 7.576 0.218 1.00 0.00 O ATOM 1723 CB GLU A 112 16.015 6.572 -1.338 1.00 0.00 C ATOM 1724 CG GLU A 112 15.836 7.646 -2.407 1.00 0.00 C ATOM 1725 CD GLU A 112 17.182 8.324 -2.679 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.646 9.039 -1.807 1.00 0.00 O ATOM 1727 OE2 GLU A 112 17.726 8.115 -3.751 1.00 0.00 O ATOM 0 H GLU A 112 15.074 5.029 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 112 14.711 5.352 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.439 7.012 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.718 5.815 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.449 7.201 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.105 8.384 -2.077 1.00 0.00 H new ATOM 1734 N GLN A 113 12.785 7.224 -1.845 1.00 0.00 N ATOM 1735 CA GLN A 113 11.700 8.240 -1.717 1.00 0.00 C ATOM 1736 C GLN A 113 10.474 7.620 -1.032 1.00 0.00 C ATOM 1737 O GLN A 113 9.478 8.279 -0.804 1.00 0.00 O ATOM 1738 CB GLN A 113 11.370 8.647 -3.157 1.00 0.00 C ATOM 1739 CG GLN A 113 12.552 9.425 -3.743 1.00 0.00 C ATOM 1740 CD GLN A 113 12.368 9.591 -5.254 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.295 9.919 -5.718 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.384 9.378 -6.047 1.00 0.00 N ATOM 0 H GLN A 113 12.841 6.760 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 113 11.999 9.096 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 113 11.166 7.762 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.469 9.261 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.627 10.403 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.484 8.898 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 113 14.286 9.102 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 113 13.276 9.487 -7.055 1.00 0.00 H new ATOM 1751 N LEU A 114 10.539 6.353 -0.711 1.00 0.00 N ATOM 1752 CA LEU A 114 9.380 5.668 -0.053 1.00 0.00 C ATOM 1753 C LEU A 114 8.880 6.410 1.190 1.00 0.00 C ATOM 1754 O LEU A 114 7.695 6.566 1.347 1.00 0.00 O ATOM 1755 CB LEU A 114 9.897 4.287 0.330 1.00 0.00 C ATOM 1756 CG LEU A 114 9.473 3.282 -0.741 1.00 0.00 C ATOM 1757 CD1 LEU A 114 10.576 2.242 -0.932 1.00 0.00 C ATOM 1758 CD2 LEU A 114 8.185 2.586 -0.296 1.00 0.00 C ATOM 0 H LEU A 114 11.350 5.758 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 114 8.527 5.630 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.983 4.304 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.500 3.992 1.301 1.00 0.00 H new ATOM 0 HG LEU A 114 9.302 3.802 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 114 10.273 1.526 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.494 2.739 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 114 10.749 1.718 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.878 1.868 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.359 2.065 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.399 3.328 -0.160 1.00 0.00 H new ATOM 1770 N PRO A 115 9.774 6.842 2.042 1.00 0.00 N ATOM 1771 CA PRO A 115 9.339 7.563 3.265 1.00 0.00 C ATOM 1772 C PRO A 115 8.721 8.894 2.864 1.00 0.00 C ATOM 1773 O PRO A 115 7.590 9.192 3.201 1.00 0.00 O ATOM 1774 CB PRO A 115 10.630 7.746 4.059 1.00 0.00 C ATOM 1775 CG PRO A 115 11.715 7.669 3.037 1.00 0.00 C ATOM 1776 CD PRO A 115 11.230 6.722 1.969 1.00 0.00 C ATOM 0 HA PRO A 115 8.584 7.038 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.643 8.704 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.743 6.970 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.923 8.653 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.643 7.309 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.607 7.000 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.559 5.700 2.159 1.00 0.00 H new ATOM 1784 N TYR A 116 9.429 9.679 2.111 1.00 0.00 N ATOM 1785 CA TYR A 116 8.843 10.960 1.657 1.00 0.00 C ATOM 1786 C TYR A 116 7.575 10.627 0.868 1.00 0.00 C ATOM 1787 O TYR A 116 6.583 11.323 0.936 1.00 0.00 O ATOM 1788 CB TYR A 116 9.951 11.619 0.817 1.00 0.00 C ATOM 1789 CG TYR A 116 9.499 11.877 -0.600 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.389 12.689 -0.848 1.00 0.00 C ATOM 1791 CD2 TYR A 116 10.204 11.303 -1.662 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.988 12.938 -2.165 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.805 11.549 -2.980 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.693 12.362 -3.232 1.00 0.00 C ATOM 1795 OH TYR A 116 8.295 12.607 -4.532 1.00 0.00 O ATOM 0 H TYR A 116 10.380 9.491 1.793 1.00 0.00 H new ATOM 0 HA TYR A 116 8.542 11.646 2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 116 10.249 12.559 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.831 10.976 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.842 13.124 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 116 11.056 10.670 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.136 13.573 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.354 11.113 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 116 8.890 12.134 -5.151 1.00 0.00 H new ATOM 1805 N GLN A 117 7.591 9.525 0.166 1.00 0.00 N ATOM 1806 CA GLN A 117 6.375 9.100 -0.576 1.00 0.00 C ATOM 1807 C GLN A 117 5.341 8.596 0.429 1.00 0.00 C ATOM 1808 O GLN A 117 4.157 8.836 0.301 1.00 0.00 O ATOM 1809 CB GLN A 117 6.832 7.963 -1.491 1.00 0.00 C ATOM 1810 CG GLN A 117 7.472 8.549 -2.749 1.00 0.00 C ATOM 1811 CD GLN A 117 6.373 9.089 -3.664 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.696 8.334 -4.331 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.160 10.375 -3.718 1.00 0.00 N ATOM 0 H GLN A 117 8.395 8.903 0.076 1.00 0.00 H new ATOM 0 HA GLN A 117 5.923 9.909 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.546 7.326 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.983 7.335 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.165 9.347 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.051 7.785 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.729 11.010 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.425 10.745 -4.320 1.00 0.00 H new ATOM 1822 N VAL A 118 5.797 7.900 1.432 1.00 0.00 N ATOM 1823 CA VAL A 118 4.864 7.375 2.464 1.00 0.00 C ATOM 1824 C VAL A 118 4.100 8.538 3.092 1.00 0.00 C ATOM 1825 O VAL A 118 2.887 8.526 3.161 1.00 0.00 O ATOM 1826 CB VAL A 118 5.763 6.653 3.484 1.00 0.00 C ATOM 1827 CG1 VAL A 118 5.103 6.630 4.867 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.978 5.212 3.021 1.00 0.00 C ATOM 0 H VAL A 118 6.780 7.672 1.581 1.00 0.00 H new ATOM 0 HA VAL A 118 4.114 6.693 2.063 1.00 0.00 H new ATOM 0 HB VAL A 118 6.713 7.184 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.755 6.115 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.935 7.652 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.149 6.106 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.614 4.691 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 118 5.016 4.704 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.458 5.212 2.042 1.00 0.00 H new ATOM 1838 N ASP A 119 4.790 9.557 3.527 1.00 0.00 N ATOM 1839 CA ASP A 119 4.074 10.718 4.114 1.00 0.00 C ATOM 1840 C ASP A 119 3.181 11.335 3.041 1.00 0.00 C ATOM 1841 O ASP A 119 2.064 11.745 3.297 1.00 0.00 O ATOM 1842 CB ASP A 119 5.168 11.685 4.552 1.00 0.00 C ATOM 1843 CG ASP A 119 5.947 11.064 5.713 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.475 10.077 6.253 1.00 0.00 O ATOM 1845 OD2 ASP A 119 7.000 11.584 6.041 1.00 0.00 O ATOM 0 H ASP A 119 5.807 9.633 3.501 1.00 0.00 H new ATOM 0 HA ASP A 119 3.436 10.451 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.839 11.897 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.730 12.635 4.858 1.00 0.00 H new ATOM 1850 N ALA A 120 3.664 11.383 1.828 1.00 0.00 N ATOM 1851 CA ALA A 120 2.847 11.947 0.721 1.00 0.00 C ATOM 1852 C ALA A 120 1.666 11.014 0.437 1.00 0.00 C ATOM 1853 O ALA A 120 0.553 11.451 0.225 1.00 0.00 O ATOM 1854 CB ALA A 120 3.798 12.010 -0.476 1.00 0.00 C ATOM 0 H ALA A 120 4.591 11.055 1.558 1.00 0.00 H new ATOM 0 HA ALA A 120 2.433 12.928 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.271 12.417 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.646 12.651 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.156 11.007 -0.709 1.00 0.00 H new ATOM 1860 N ALA A 121 1.904 9.729 0.445 1.00 0.00 N ATOM 1861 CA ALA A 121 0.801 8.761 0.189 1.00 0.00 C ATOM 1862 C ALA A 121 -0.272 8.900 1.269 1.00 0.00 C ATOM 1863 O ALA A 121 -1.455 8.894 0.989 1.00 0.00 O ATOM 1864 CB ALA A 121 1.450 7.379 0.264 1.00 0.00 C ATOM 0 H ALA A 121 2.817 9.309 0.618 1.00 0.00 H new ATOM 0 HA ALA A 121 0.320 8.931 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.696 6.613 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.232 7.303 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.886 7.235 1.253 1.00 0.00 H new ATOM 1870 N LEU A 122 0.132 9.027 2.505 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.871 9.167 3.591 1.00 0.00 C ATOM 1872 C LEU A 122 -1.773 10.363 3.303 1.00 0.00 C ATOM 1873 O LEU A 122 -2.981 10.254 3.327 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.065 9.401 4.876 1.00 0.00 C ATOM 1875 CG LEU A 122 0.664 8.116 5.280 1.00 0.00 C ATOM 1876 CD1 LEU A 122 2.047 8.470 5.819 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.124 7.402 6.380 1.00 0.00 C ATOM 0 H LEU A 122 1.107 9.039 2.805 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.508 8.287 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.656 10.204 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.730 9.719 5.679 1.00 0.00 H new ATOM 0 HG LEU A 122 0.755 7.466 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.569 7.558 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.617 8.986 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.943 9.119 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.397 6.488 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.212 8.056 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.119 7.153 6.011 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.209 11.501 3.016 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.069 12.681 2.718 1.00 0.00 C ATOM 1891 C ALA A 123 -2.840 12.445 1.416 1.00 0.00 C ATOM 1892 O ALA A 123 -4.024 12.693 1.335 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.108 13.863 2.586 1.00 0.00 C ATOM 0 H ALA A 123 -0.203 11.666 2.975 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.810 12.864 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.673 14.769 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.562 13.994 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.403 13.670 1.778 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.185 11.958 0.396 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.900 11.706 -0.888 1.00 0.00 C ATOM 1901 C GLU A 124 -3.984 10.640 -0.700 1.00 0.00 C ATOM 1902 O GLU A 124 -5.003 10.664 -1.359 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.838 11.211 -1.871 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.492 10.952 -3.235 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.650 12.271 -3.991 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -2.324 13.301 -3.424 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.095 12.233 -5.128 1.00 0.00 O ATOM 0 H GLU A 124 -1.192 11.725 0.396 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.394 12.608 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.044 11.951 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.377 10.297 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.882 10.260 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.466 10.481 -3.098 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.777 9.697 0.183 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.813 8.645 0.378 1.00 0.00 C ATOM 1916 C PHE A 125 -5.917 9.140 1.318 1.00 0.00 C ATOM 1917 O PHE A 125 -7.073 8.820 1.151 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.075 7.457 0.998 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.092 6.454 1.481 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.575 5.467 0.614 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.566 6.525 2.795 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.533 4.548 1.067 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.520 5.611 3.246 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.006 4.622 2.384 1.00 0.00 C ATOM 0 H PHE A 125 -2.947 9.612 0.769 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.297 8.377 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.412 6.999 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.451 7.791 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.211 5.413 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.193 7.288 3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.906 3.784 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.883 5.667 4.261 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.745 3.916 2.733 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.565 9.913 2.305 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.589 10.424 3.260 1.00 0.00 C ATOM 1936 C LEU A 126 -7.603 11.323 2.544 1.00 0.00 C ATOM 1937 O LEU A 126 -8.799 11.161 2.679 1.00 0.00 O ATOM 1938 CB LEU A 126 -5.788 11.226 4.285 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.086 10.263 5.244 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.314 11.057 6.298 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.130 9.384 5.933 1.00 0.00 C ATOM 0 H LEU A 126 -4.609 10.215 2.493 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.164 9.619 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.054 11.853 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.449 11.892 4.839 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.391 9.637 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.815 10.368 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.570 11.685 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.006 11.685 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.633 8.697 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.824 10.013 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.679 8.815 5.183 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.130 12.275 1.791 1.00 0.00 N ATOM 1954 CA ARG A 127 -8.057 13.197 1.075 1.00 0.00 C ATOM 1955 C ARG A 127 -8.966 12.431 0.109 1.00 0.00 C ATOM 1956 O ARG A 127 -10.112 12.784 -0.083 1.00 0.00 O ATOM 1957 CB ARG A 127 -7.136 14.159 0.334 1.00 0.00 C ATOM 1958 CG ARG A 127 -6.420 15.028 1.366 1.00 0.00 C ATOM 1959 CD ARG A 127 -5.927 16.311 0.704 1.00 0.00 C ATOM 1960 NE ARG A 127 -4.635 15.924 0.086 1.00 0.00 N ATOM 1961 CZ ARG A 127 -3.976 16.770 -0.655 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -4.485 17.943 -0.926 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -2.816 16.435 -1.137 1.00 0.00 N ATOM 0 H ARG A 127 -6.138 12.456 1.639 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.732 13.717 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.412 13.606 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.710 14.781 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.097 15.267 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.579 14.482 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.634 16.672 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.797 17.111 1.433 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.259 14.989 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.401 18.199 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.966 18.602 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -2.426 15.514 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.296 17.093 -1.718 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.477 11.386 -0.501 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.339 10.619 -1.445 1.00 0.00 C ATOM 1979 C LEU A 128 -9.916 9.372 -0.752 1.00 0.00 C ATOM 1980 O LEU A 128 -10.548 8.545 -1.379 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.424 10.232 -2.612 1.00 0.00 C ATOM 1982 CG LEU A 128 -9.228 10.244 -3.918 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -9.828 11.634 -4.139 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -8.309 9.905 -5.095 1.00 0.00 C ATOM 0 H LEU A 128 -7.527 11.032 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.192 11.204 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.589 10.929 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.000 9.242 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.026 9.504 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.399 11.640 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.486 11.883 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -9.027 12.371 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.885 9.915 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.510 10.643 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.878 8.915 -4.946 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.718 9.235 0.539 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.273 8.042 1.256 1.00 0.00 C ATOM 1998 C ALA A 129 -11.696 8.340 1.767 1.00 0.00 C ATOM 1999 O ALA A 129 -11.946 9.417 2.272 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.336 7.801 2.440 1.00 0.00 C ATOM 0 H ALA A 129 -9.200 9.892 1.123 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.335 7.173 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -9.684 6.940 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.328 7.610 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.327 8.682 3.082 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.586 7.382 1.627 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.238 6.079 1.007 1.00 0.00 C ATOM 2008 C PRO A 130 -12.028 6.279 -0.495 1.00 0.00 C ATOM 2009 O PRO A 130 -12.694 7.078 -1.120 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.451 5.200 1.301 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.583 6.155 1.498 1.00 0.00 C ATOM 2012 CD PRO A 130 -13.997 7.437 2.031 1.00 0.00 C ATOM 0 HA PRO A 130 -11.320 5.633 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -13.651 4.515 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.290 4.590 2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.105 6.332 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.314 5.747 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.498 8.309 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.099 7.502 3.114 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.086 5.593 -1.074 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.831 5.791 -2.526 1.00 0.00 C ATOM 2022 C VAL A 131 -11.768 4.924 -3.358 1.00 0.00 C ATOM 2023 O VAL A 131 -12.390 4.007 -2.861 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.375 5.382 -2.748 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.884 5.971 -4.069 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.512 5.918 -1.601 1.00 0.00 C ATOM 0 H VAL A 131 -10.486 4.910 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.008 6.823 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.301 4.295 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.846 5.682 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.499 5.594 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.957 7.058 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.474 5.626 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.583 7.005 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.865 5.504 -0.656 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.879 5.212 -4.621 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.781 4.403 -5.479 1.00 0.00 C ATOM 2038 C GLU A 132 -11.980 3.296 -6.162 1.00 0.00 C ATOM 2039 O GLU A 132 -11.236 3.535 -7.092 1.00 0.00 O ATOM 2040 CB GLU A 132 -13.347 5.391 -6.498 1.00 0.00 C ATOM 2041 CG GLU A 132 -14.547 4.758 -7.204 1.00 0.00 C ATOM 2042 CD GLU A 132 -14.886 5.560 -8.461 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -14.577 6.739 -8.487 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -15.445 4.980 -9.377 1.00 0.00 O ATOM 0 H GLU A 132 -11.386 5.969 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.578 3.915 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.648 6.312 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.581 5.658 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.322 3.725 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -15.406 4.735 -6.533 1.00 0.00 H new ATOM 2051 N THR A 133 -12.122 2.084 -5.696 1.00 0.00 N ATOM 2052 CA THR A 133 -11.363 0.956 -6.307 1.00 0.00 C ATOM 2053 C THR A 133 -12.252 0.183 -7.281 1.00 0.00 C ATOM 2054 O THR A 133 -13.236 -0.419 -6.905 1.00 0.00 O ATOM 2055 CB THR A 133 -10.954 0.068 -5.132 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.914 0.182 -4.092 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.575 0.485 -4.615 1.00 0.00 C ATOM 0 H THR A 133 -12.731 1.827 -4.919 1.00 0.00 H new ATOM 0 HA THR A 133 -10.499 1.302 -6.875 1.00 0.00 H new ATOM 0 HB THR A 133 -10.907 -0.968 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.651 -0.389 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.292 -0.153 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.841 0.383 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.609 1.523 -4.284 1.00 0.00 H new ATOM 2065 N MET A 134 -11.900 0.197 -8.534 1.00 0.00 N ATOM 2066 CA MET A 134 -12.703 -0.526 -9.557 1.00 0.00 C ATOM 2067 C MET A 134 -12.753 -2.030 -9.241 1.00 0.00 C ATOM 2068 O MET A 134 -13.769 -2.672 -9.410 1.00 0.00 O ATOM 2069 CB MET A 134 -11.967 -0.248 -10.861 1.00 0.00 C ATOM 2070 CG MET A 134 -12.054 1.250 -11.165 1.00 0.00 C ATOM 2071 SD MET A 134 -11.187 1.609 -12.709 1.00 0.00 S ATOM 2072 CE MET A 134 -12.368 0.800 -13.811 1.00 0.00 C ATOM 0 H MET A 134 -11.081 0.684 -8.898 1.00 0.00 H new ATOM 0 HA MET A 134 -13.743 -0.201 -9.596 1.00 0.00 H new ATOM 0 HB2 MET A 134 -10.925 -0.557 -10.780 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.408 -0.825 -11.674 1.00 0.00 H new ATOM 0 HG2 MET A 134 -13.098 1.555 -11.243 1.00 0.00 H new ATOM 0 HG3 MET A 134 -11.615 1.823 -10.348 1.00 0.00 H new ATOM 0 HE1 MET A 134 -12.446 1.366 -14.739 1.00 0.00 H new ATOM 0 HE2 MET A 134 -12.027 -0.212 -14.030 1.00 0.00 H new ATOM 0 HE3 MET A 134 -13.345 0.757 -13.329 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.672 -2.595 -8.774 1.00 0.00 N ATOM 2083 CA ALA A 135 -11.680 -4.052 -8.448 1.00 0.00 C ATOM 2084 C ALA A 135 -12.941 -4.403 -7.655 1.00 0.00 C ATOM 2085 O ALA A 135 -12.979 -4.090 -6.476 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.435 -4.281 -7.590 1.00 0.00 C ATOM 2087 OXT ALA A 135 -13.847 -4.973 -8.239 1.00 0.00 O ATOM 0 H ALA A 135 -10.788 -2.115 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.675 -4.673 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.374 -5.333 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.546 -4.003 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.496 -3.670 -6.689 1.00 0.00 H new