USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 832 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 637 SER OG : rot -105:sc= 0.978 USER MOD Set 1.2: A 638 MET CE :methyl -154:sc= -10.1! (180deg=-11!) USER MOD Set 2.1: A 585 SER OG : rot -51:sc= 0.0012 USER MOD Set 2.2: A 588 TYR OH : rot 180:sc=-0.00433 USER MOD Set 2.3: A 622 GLN : amide:sc= -2.35 K(o=-2.4,f=-5.6!) USER MOD Set 3.1: A 556 CYS SG : rot 155:sc= -0.172 USER MOD Set 3.2: A 559 CYS SG : rot 3:sc= -20.5! USER MOD Set 3.3: A 612 CYS SG : rot -132:sc= -0.0248 USER MOD Set 3.4: A 615 CYS SG : rot 26:sc= -23.4! USER MOD Set 4.1: A 579 ASN :FLIP amide:sc= -0.63! F(o=-6.6,f=-3.6!) USER MOD Set 4.2: A 581 ASN : amide:sc= -2.96! C(o=-3.6!,f=-6.3!) USER MOD Single : A 546 GLN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.95) USER MOD Single : A 553 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.0085) USER MOD Single : A 558 ASN : amide:sc=-0.00284 K(o=-0.0028,f=-0.83) USER MOD Single : A 560 MET CE :methyl 151:sc= -0.404 (180deg=-1.77!) USER MOD Single : A 565 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 567 SER OG : rot -44:sc= -0.0774 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 160:sc= 0.246 USER MOD Single : A 576 HIS : no HE2:sc= 0.499 K(o=0.5,f=-3.1!) USER MOD Single : A 577 HIS : no HD1:sc= -12.8! C(o=-13!,f=-14!) USER MOD Single : A 583 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.19) USER MOD Single : A 586 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.083) USER MOD Single : A 587 TYR OH : rot -65:sc= 0.299 USER MOD Single : A 589 ASN :FLIP amide:sc= -0.821 F(o=-2.5,f=-0.82) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN :FLIP amide:sc= -3.79! C(o=-4.9!,f=-3.8!) USER MOD Single : A 623 MET CE :methyl 153:sc= -1.21 (180deg=-2.46) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -48:sc= 0.507 USER MOD Single : A 629 LYS NZ :NH3+ -148:sc= -0.775 (180deg=-2.59!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 642 THR OG1 : rot -109:sc= 0.378 USER MOD Single : A 644 GLN :FLIP amide:sc= -0.638 F(o=-1.6,f=-0.64) USER MOD Single : A 648 GLN : amide:sc= -3.7 K(o=-3.7,f=-5.9!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.220 -6.677 2.260 1.00 71.53 N ATOM 57 CA GLN A 546 5.980 -7.165 3.398 1.00 62.10 C ATOM 58 C GLN A 546 5.038 -7.550 4.540 1.00 12.23 C ATOM 59 O GLN A 546 4.083 -6.831 4.831 1.00 3.42 O ATOM 60 CB GLN A 546 7.005 -6.126 3.859 1.00 74.33 C ATOM 61 CG GLN A 546 8.257 -6.165 2.981 1.00 3.11 C ATOM 62 CD GLN A 546 9.225 -5.041 3.357 1.00 53.53 C ATOM 63 OE1 GLN A 546 10.354 -5.267 3.758 1.00 3.23 O ATOM 64 NE2 GLN A 546 8.720 -3.819 3.204 1.00 23.40 N ATOM 0 HA GLN A 546 6.528 -8.055 3.089 1.00 62.10 H new ATOM 0 HB2 GLN A 546 6.561 -5.131 3.822 1.00 74.33 H new ATOM 0 HB3 GLN A 546 7.278 -6.315 4.897 1.00 74.33 H new ATOM 0 HG2 GLN A 546 8.753 -7.129 3.091 1.00 3.11 H new ATOM 0 HG3 GLN A 546 7.974 -6.070 1.933 1.00 3.11 H new ATOM 0 HE21 GLN A 546 7.766 -3.700 2.863 1.00 23.40 H new ATOM 0 HE22 GLN A 546 9.287 -3.001 3.427 1.00 23.40 H new ATOM 73 N PHE A 547 5.339 -8.683 5.157 1.00 73.32 N ATOM 74 CA PHE A 547 4.530 -9.172 6.261 1.00 62.23 C ATOM 75 C PHE A 547 5.345 -10.094 7.171 1.00 52.31 C ATOM 76 O PHE A 547 5.582 -11.253 6.835 1.00 52.23 O ATOM 77 CB PHE A 547 3.375 -9.969 5.651 1.00 41.42 C ATOM 78 CG PHE A 547 2.891 -9.430 4.303 1.00 43.11 C ATOM 79 CD1 PHE A 547 3.683 -9.540 3.203 1.00 62.33 C ATOM 80 CD2 PHE A 547 1.670 -8.841 4.205 1.00 55.40 C ATOM 81 CE1 PHE A 547 3.234 -9.040 1.952 1.00 62.32 C ATOM 82 CE2 PHE A 547 1.221 -8.341 2.954 1.00 14.40 C ATOM 83 CZ PHE A 547 2.012 -8.451 1.854 1.00 45.02 C ATOM 0 H PHE A 547 6.132 -9.277 4.914 1.00 73.32 H new ATOM 0 HA PHE A 547 4.174 -8.334 6.861 1.00 62.23 H new ATOM 0 HB2 PHE A 547 3.689 -11.005 5.525 1.00 41.42 H new ATOM 0 HB3 PHE A 547 2.539 -9.972 6.351 1.00 41.42 H new ATOM 0 HD1 PHE A 547 4.653 -10.008 3.281 1.00 62.33 H new ATOM 0 HD2 PHE A 547 1.041 -8.753 5.079 1.00 55.40 H new ATOM 0 HE1 PHE A 547 3.863 -9.127 1.078 1.00 62.32 H new ATOM 0 HE2 PHE A 547 0.251 -7.873 2.877 1.00 14.40 H new ATOM 0 HZ PHE A 547 1.670 -8.071 0.903 1.00 45.02 H new ATOM 93 N PRO A 548 5.762 -9.529 8.336 1.00 52.03 N ATOM 94 CA PRO A 548 6.545 -10.287 9.297 1.00 52.03 C ATOM 95 C PRO A 548 5.666 -11.285 10.054 1.00 5.35 C ATOM 96 O PRO A 548 4.554 -10.953 10.462 1.00 23.42 O ATOM 97 CB PRO A 548 7.174 -9.242 10.203 1.00 3.31 C ATOM 98 CG PRO A 548 6.357 -7.975 10.009 1.00 51.11 C ATOM 99 CD PRO A 548 5.500 -8.159 8.767 1.00 32.02 C ATOM 0 HA PRO A 548 7.313 -10.899 8.825 1.00 52.03 H new ATOM 0 HB2 PRO A 548 7.153 -9.564 11.244 1.00 3.31 H new ATOM 0 HB3 PRO A 548 8.219 -9.077 9.941 1.00 3.31 H new ATOM 0 HG2 PRO A 548 5.730 -7.788 10.881 1.00 51.11 H new ATOM 0 HG3 PRO A 548 7.013 -7.112 9.896 1.00 51.11 H new ATOM 0 HD2 PRO A 548 4.443 -8.009 8.989 1.00 32.02 H new ATOM 0 HD3 PRO A 548 5.768 -7.442 7.991 1.00 32.02 H new ATOM 107 N VAL A 549 6.199 -12.486 10.220 1.00 22.43 N ATOM 108 CA VAL A 549 5.478 -13.534 10.922 1.00 71.50 C ATOM 109 C VAL A 549 4.939 -12.980 12.242 1.00 33.53 C ATOM 110 O VAL A 549 3.813 -13.285 12.634 1.00 22.10 O ATOM 111 CB VAL A 549 6.381 -14.755 11.110 1.00 33.41 C ATOM 112 CG1 VAL A 549 6.700 -15.413 9.766 1.00 24.13 C ATOM 113 CG2 VAL A 549 7.663 -14.379 11.856 1.00 72.44 C ATOM 0 H VAL A 549 7.122 -12.757 9.880 1.00 22.43 H new ATOM 0 HA VAL A 549 4.622 -13.867 10.336 1.00 71.50 H new ATOM 0 HB VAL A 549 5.841 -15.481 11.718 1.00 33.41 H new ATOM 0 HG11 VAL A 549 7.343 -16.278 9.928 1.00 24.13 H new ATOM 0 HG12 VAL A 549 5.774 -15.734 9.289 1.00 24.13 H new ATOM 0 HG13 VAL A 549 7.211 -14.697 9.122 1.00 24.13 H new ATOM 0 HG21 VAL A 549 8.287 -15.265 11.976 1.00 72.44 H new ATOM 0 HG22 VAL A 549 8.208 -13.626 11.287 1.00 72.44 H new ATOM 0 HG23 VAL A 549 7.409 -13.978 12.837 1.00 72.44 H new ATOM 123 N GLU A 550 5.767 -12.177 12.892 1.00 4.52 N ATOM 124 CA GLU A 550 5.388 -11.577 14.160 1.00 21.24 C ATOM 125 C GLU A 550 4.098 -10.770 14.001 1.00 2.11 C ATOM 126 O GLU A 550 3.277 -10.719 14.915 1.00 34.32 O ATOM 127 CB GLU A 550 6.516 -10.704 14.714 1.00 63.54 C ATOM 128 CG GLU A 550 7.022 -9.724 13.653 1.00 33.21 C ATOM 129 CD GLU A 550 7.625 -8.477 14.302 1.00 12.14 C ATOM 130 OE1 GLU A 550 7.066 -7.378 14.171 1.00 50.21 O ATOM 131 OE2 GLU A 550 8.713 -8.679 14.964 1.00 24.13 O ATOM 0 H GLU A 550 6.700 -11.927 12.564 1.00 4.52 H new ATOM 0 HA GLU A 550 5.207 -12.377 14.878 1.00 21.24 H new ATOM 0 HB2 GLU A 550 6.160 -10.152 15.584 1.00 63.54 H new ATOM 0 HB3 GLU A 550 7.337 -11.336 15.052 1.00 63.54 H new ATOM 0 HG2 GLU A 550 7.771 -10.212 13.030 1.00 33.21 H new ATOM 0 HG3 GLU A 550 6.200 -9.436 12.997 1.00 33.21 H new ATOM 139 N HIS A 551 3.961 -10.159 12.834 1.00 54.42 N ATOM 140 CA HIS A 551 2.785 -9.356 12.543 1.00 34.21 C ATOM 141 C HIS A 551 1.657 -10.261 12.042 1.00 11.14 C ATOM 142 O HIS A 551 0.499 -9.848 11.995 1.00 43.22 O ATOM 143 CB HIS A 551 3.123 -8.232 11.562 1.00 71.11 C ATOM 144 CG HIS A 551 3.589 -6.958 12.225 1.00 54.32 C ATOM 145 ND1 HIS A 551 3.851 -5.797 11.518 1.00 73.33 N ATOM 146 CD2 HIS A 551 3.835 -6.674 13.536 1.00 41.31 C ATOM 147 CE1 HIS A 551 4.238 -4.864 12.374 1.00 13.24 C ATOM 148 NE2 HIS A 551 4.228 -5.409 13.625 1.00 71.13 N ATOM 0 H HIS A 551 4.645 -10.204 12.078 1.00 54.42 H new ATOM 0 HA HIS A 551 2.437 -8.871 13.455 1.00 34.21 H new ATOM 0 HB2 HIS A 551 3.899 -8.580 10.880 1.00 71.11 H new ATOM 0 HB3 HIS A 551 2.242 -8.014 10.958 1.00 71.11 H new ATOM 0 HD2 HIS A 551 3.728 -7.362 14.362 1.00 41.31 H new ATOM 0 HE1 HIS A 551 4.513 -3.850 12.126 1.00 13.24 H new ATOM 0 HE2 HIS A 551 4.481 -4.924 14.486 1.00 71.13 H new ATOM 156 N VAL A 552 2.035 -11.479 11.682 1.00 54.53 N ATOM 157 CA VAL A 552 1.070 -12.445 11.186 1.00 34.43 C ATOM 158 C VAL A 552 0.611 -13.339 12.340 1.00 24.33 C ATOM 159 O VAL A 552 1.434 -13.937 13.032 1.00 45.11 O ATOM 160 CB VAL A 552 1.670 -13.234 10.021 1.00 23.41 C ATOM 161 CG1 VAL A 552 0.766 -14.404 9.627 1.00 51.33 C ATOM 162 CG2 VAL A 552 1.941 -12.322 8.823 1.00 21.10 C ATOM 0 H VAL A 552 2.996 -11.819 11.724 1.00 54.53 H new ATOM 0 HA VAL A 552 0.187 -11.938 10.796 1.00 34.43 H new ATOM 0 HB VAL A 552 2.624 -13.645 10.351 1.00 23.41 H new ATOM 0 HG11 VAL A 552 1.216 -14.948 8.797 1.00 51.33 H new ATOM 0 HG12 VAL A 552 0.647 -15.075 10.478 1.00 51.33 H new ATOM 0 HG13 VAL A 552 -0.210 -14.024 9.325 1.00 51.33 H new ATOM 0 HG21 VAL A 552 2.367 -12.908 8.009 1.00 21.10 H new ATOM 0 HG22 VAL A 552 1.007 -11.868 8.493 1.00 21.10 H new ATOM 0 HG23 VAL A 552 2.642 -11.539 9.113 1.00 21.10 H new ATOM 172 N GLN A 553 -0.701 -13.403 12.513 1.00 42.44 N ATOM 173 CA GLN A 553 -1.278 -14.213 13.571 1.00 74.50 C ATOM 174 C GLN A 553 -2.102 -15.357 12.974 1.00 4.14 C ATOM 175 O GLN A 553 -2.751 -15.187 11.944 1.00 53.21 O ATOM 176 CB GLN A 553 -2.129 -13.360 14.514 1.00 44.32 C ATOM 177 CG GLN A 553 -2.738 -14.214 15.628 1.00 42.24 C ATOM 178 CD GLN A 553 -3.193 -13.342 16.800 1.00 22.41 C ATOM 179 OE1 GLN A 553 -2.839 -13.565 17.946 1.00 35.24 O ATOM 180 NE2 GLN A 553 -3.994 -12.340 16.450 1.00 32.33 N ATOM 0 H GLN A 553 -1.381 -12.906 11.937 1.00 42.44 H new ATOM 0 HA GLN A 553 -0.465 -14.642 14.157 1.00 74.50 H new ATOM 0 HB2 GLN A 553 -1.516 -12.571 14.950 1.00 44.32 H new ATOM 0 HB3 GLN A 553 -2.924 -12.871 13.950 1.00 44.32 H new ATOM 0 HG2 GLN A 553 -3.586 -14.776 15.238 1.00 42.24 H new ATOM 0 HG3 GLN A 553 -2.005 -14.942 15.975 1.00 42.24 H new ATOM 0 HE21 GLN A 553 -4.251 -12.211 15.471 1.00 32.33 H new ATOM 0 HE22 GLN A 553 -4.351 -11.701 17.160 1.00 32.33 H new ATOM 189 N LEU A 554 -2.047 -16.497 13.648 1.00 52.43 N ATOM 190 CA LEU A 554 -2.780 -17.668 13.197 1.00 3.20 C ATOM 191 C LEU A 554 -4.213 -17.604 13.729 1.00 3.23 C ATOM 192 O LEU A 554 -4.432 -17.649 14.939 1.00 50.22 O ATOM 193 CB LEU A 554 -2.036 -18.947 13.585 1.00 30.25 C ATOM 194 CG LEU A 554 -0.838 -19.319 12.709 1.00 2.25 C ATOM 195 CD1 LEU A 554 -0.720 -20.837 12.557 1.00 3.52 C ATOM 196 CD2 LEU A 554 -0.908 -18.611 11.355 1.00 13.41 C ATOM 0 H LEU A 554 -1.507 -16.634 14.502 1.00 52.43 H new ATOM 0 HA LEU A 554 -2.845 -17.682 12.109 1.00 3.20 H new ATOM 0 HB2 LEU A 554 -1.691 -18.845 14.614 1.00 30.25 H new ATOM 0 HB3 LEU A 554 -2.744 -19.775 13.568 1.00 30.25 H new ATOM 0 HG LEU A 554 0.069 -18.974 13.206 1.00 2.25 H new ATOM 0 HD11 LEU A 554 0.139 -21.074 11.930 1.00 3.52 H new ATOM 0 HD12 LEU A 554 -0.589 -21.292 13.539 1.00 3.52 H new ATOM 0 HD13 LEU A 554 -1.626 -21.228 12.094 1.00 3.52 H new ATOM 0 HD21 LEU A 554 -0.045 -18.893 10.752 1.00 13.41 H new ATOM 0 HD22 LEU A 554 -1.822 -18.903 10.839 1.00 13.41 H new ATOM 0 HD23 LEU A 554 -0.907 -17.532 11.508 1.00 13.41 H new ATOM 208 N LEU A 555 -5.151 -17.500 12.800 1.00 51.32 N ATOM 209 CA LEU A 555 -6.557 -17.429 13.160 1.00 0.03 C ATOM 210 C LEU A 555 -7.359 -18.365 12.254 1.00 52.43 C ATOM 211 O LEU A 555 -6.823 -19.047 11.381 1.00 33.44 O ATOM 212 CB LEU A 555 -7.045 -15.979 13.133 1.00 23.05 C ATOM 213 CG LEU A 555 -5.994 -14.912 13.446 1.00 2.13 C ATOM 214 CD1 LEU A 555 -5.516 -14.221 12.167 1.00 35.14 C ATOM 215 CD2 LEU A 555 -6.519 -13.911 14.477 1.00 51.51 C ATOM 0 H LEU A 555 -4.965 -17.463 11.798 1.00 51.32 H new ATOM 0 HA LEU A 555 -6.706 -17.772 14.184 1.00 0.03 H new ATOM 0 HB2 LEU A 555 -7.459 -15.774 12.146 1.00 23.05 H new ATOM 0 HB3 LEU A 555 -7.861 -15.878 13.848 1.00 23.05 H new ATOM 0 HG LEU A 555 -5.128 -15.405 13.888 1.00 2.13 H new ATOM 0 HD11 LEU A 555 -4.770 -13.467 12.418 1.00 35.14 H new ATOM 0 HD12 LEU A 555 -5.075 -14.960 11.497 1.00 35.14 H new ATOM 0 HD13 LEU A 555 -6.362 -13.743 11.673 1.00 35.14 H new ATOM 0 HD21 LEU A 555 -5.752 -13.164 14.682 1.00 51.51 H new ATOM 0 HD22 LEU A 555 -7.410 -13.420 14.086 1.00 51.51 H new ATOM 0 HD23 LEU A 555 -6.769 -14.436 15.399 1.00 51.51 H new ATOM 227 N CYS A 556 -8.669 -18.381 12.481 1.00 1.12 N ATOM 228 CA CYS A 556 -9.570 -19.221 11.702 1.00 14.13 C ATOM 229 C CYS A 556 -10.453 -18.373 10.791 1.00 73.52 C ATOM 230 O CYS A 556 -11.437 -17.806 11.264 1.00 44.33 O ATOM 231 CB CYS A 556 -10.442 -20.068 12.631 1.00 73.01 C ATOM 232 SG CYS A 556 -11.050 -21.611 11.877 1.00 60.34 S ATOM 0 H CYS A 556 -9.130 -17.821 13.199 1.00 1.12 H new ATOM 0 HA CYS A 556 -8.965 -19.881 11.080 1.00 14.13 H new ATOM 0 HB2 CYS A 556 -9.869 -20.314 13.525 1.00 73.01 H new ATOM 0 HB3 CYS A 556 -11.296 -19.472 12.953 1.00 73.01 H new ATOM 0 HG CYS A 556 -11.305 -22.479 12.811 1.00 60.34 H new ATOM 237 N ILE A 557 -10.088 -18.307 9.519 1.00 3.20 N ATOM 238 CA ILE A 557 -10.853 -17.528 8.560 1.00 31.41 C ATOM 239 C ILE A 557 -12.331 -17.552 8.955 1.00 51.42 C ATOM 240 O ILE A 557 -13.031 -16.550 8.812 1.00 31.25 O ATOM 241 CB ILE A 557 -10.589 -18.023 7.136 1.00 10.44 C ATOM 242 CG1 ILE A 557 -11.596 -19.103 6.735 1.00 3.33 C ATOM 243 CG2 ILE A 557 -9.144 -18.500 6.981 1.00 43.10 C ATOM 244 CD1 ILE A 557 -11.420 -19.499 5.268 1.00 43.51 C ATOM 0 H ILE A 557 -9.272 -18.780 9.130 1.00 3.20 H new ATOM 0 HA ILE A 557 -10.535 -16.486 8.575 1.00 31.41 H new ATOM 0 HB ILE A 557 -10.727 -17.186 6.452 1.00 10.44 H new ATOM 0 HG12 ILE A 557 -11.467 -19.979 7.370 1.00 3.33 H new ATOM 0 HG13 ILE A 557 -12.610 -18.738 6.898 1.00 3.33 H new ATOM 0 HG21 ILE A 557 -8.983 -18.847 5.960 1.00 43.10 H new ATOM 0 HG22 ILE A 557 -8.464 -17.676 7.196 1.00 43.10 H new ATOM 0 HG23 ILE A 557 -8.954 -19.318 7.676 1.00 43.10 H new ATOM 0 HD11 ILE A 557 -12.148 -20.268 5.009 1.00 43.51 H new ATOM 0 HD12 ILE A 557 -11.574 -18.626 4.634 1.00 43.51 H new ATOM 0 HD13 ILE A 557 -10.413 -19.886 5.114 1.00 43.51 H new ATOM 256 N ASN A 558 -12.762 -18.705 9.443 1.00 33.31 N ATOM 257 CA ASN A 558 -14.144 -18.872 9.859 1.00 34.04 C ATOM 258 C ASN A 558 -14.368 -18.131 11.179 1.00 40.40 C ATOM 259 O ASN A 558 -15.138 -17.173 11.234 1.00 4.32 O ATOM 260 CB ASN A 558 -14.478 -20.348 10.084 1.00 24.22 C ATOM 261 CG ASN A 558 -14.892 -21.022 8.775 1.00 60.42 C ATOM 262 OD1 ASN A 558 -14.184 -20.996 7.782 1.00 51.45 O ATOM 263 ND2 ASN A 558 -16.075 -21.627 8.828 1.00 15.35 N ATOM 0 H ASN A 558 -12.178 -19.533 9.560 1.00 33.31 H new ATOM 0 HA ASN A 558 -14.783 -18.474 9.071 1.00 34.04 H new ATOM 0 HB2 ASN A 558 -13.612 -20.861 10.503 1.00 24.22 H new ATOM 0 HB3 ASN A 558 -15.284 -20.435 10.813 1.00 24.22 H new ATOM 0 HD21 ASN A 558 -16.440 -22.107 8.005 1.00 15.35 H new ATOM 0 HD22 ASN A 558 -16.618 -21.611 9.692 1.00 15.35 H new ATOM 270 N CYS A 559 -13.681 -18.602 12.209 1.00 12.13 N ATOM 271 CA CYS A 559 -13.795 -17.996 13.525 1.00 52.41 C ATOM 272 C CYS A 559 -13.045 -16.662 13.506 1.00 70.30 C ATOM 273 O CYS A 559 -13.661 -15.599 13.553 1.00 51.32 O ATOM 274 CB CYS A 559 -13.277 -18.926 14.623 1.00 34.34 C ATOM 275 SG CYS A 559 -13.830 -20.665 14.480 1.00 53.21 S ATOM 0 H CYS A 559 -13.043 -19.396 12.159 1.00 12.13 H new ATOM 0 HA CYS A 559 -14.845 -17.818 13.756 1.00 52.41 H new ATOM 0 HB2 CYS A 559 -12.187 -18.904 14.614 1.00 34.34 H new ATOM 0 HB3 CYS A 559 -13.596 -18.536 15.590 1.00 34.34 H new ATOM 0 HG CYS A 559 -14.537 -20.808 13.399 1.00 53.21 H new ATOM 280 N MET A 560 -11.726 -16.763 13.437 1.00 23.02 N ATOM 281 CA MET A 560 -10.885 -15.578 13.412 1.00 71.15 C ATOM 282 C MET A 560 -10.734 -14.982 14.813 1.00 73.23 C ATOM 283 O MET A 560 -10.822 -13.768 14.987 1.00 1.24 O ATOM 284 CB MET A 560 -11.501 -14.535 12.477 1.00 61.34 C ATOM 285 CG MET A 560 -11.911 -15.167 11.145 1.00 73.21 C ATOM 286 SD MET A 560 -12.721 -13.953 10.117 1.00 65.02 S ATOM 287 CE MET A 560 -14.428 -14.331 10.477 1.00 43.45 C ATOM 0 H MET A 560 -11.219 -17.647 13.398 1.00 23.02 H new ATOM 0 HA MET A 560 -9.897 -15.864 13.052 1.00 71.15 H new ATOM 0 HB2 MET A 560 -12.372 -14.084 12.953 1.00 61.34 H new ATOM 0 HB3 MET A 560 -10.784 -13.733 12.298 1.00 61.34 H new ATOM 0 HG2 MET A 560 -11.032 -15.560 10.634 1.00 73.21 H new ATOM 0 HG3 MET A 560 -12.580 -16.009 11.323 1.00 73.21 H new ATOM 0 HE1 MET A 560 -15.031 -13.429 10.370 1.00 43.45 H new ATOM 0 HE2 MET A 560 -14.787 -15.091 9.783 1.00 43.45 H new ATOM 0 HE3 MET A 560 -14.511 -14.704 11.498 1.00 43.45 H new ATOM 297 N VAL A 561 -10.510 -15.865 15.775 1.00 12.43 N ATOM 298 CA VAL A 561 -10.346 -15.441 17.156 1.00 74.15 C ATOM 299 C VAL A 561 -8.907 -15.710 17.600 1.00 72.13 C ATOM 300 O VAL A 561 -8.610 -15.702 18.793 1.00 13.33 O ATOM 301 CB VAL A 561 -11.385 -16.132 18.042 1.00 63.33 C ATOM 302 CG1 VAL A 561 -12.682 -16.385 17.271 1.00 22.40 C ATOM 303 CG2 VAL A 561 -10.829 -17.434 18.624 1.00 54.24 C ATOM 0 H VAL A 561 -10.438 -16.872 15.626 1.00 12.43 H new ATOM 0 HA VAL A 561 -10.520 -14.369 17.250 1.00 74.15 H new ATOM 0 HB VAL A 561 -11.615 -15.465 18.873 1.00 63.33 H new ATOM 0 HG11 VAL A 561 -13.403 -16.877 17.924 1.00 22.40 H new ATOM 0 HG12 VAL A 561 -13.092 -15.435 16.927 1.00 22.40 H new ATOM 0 HG13 VAL A 561 -12.476 -17.023 16.412 1.00 22.40 H new ATOM 0 HG21 VAL A 561 -11.587 -17.906 19.250 1.00 54.24 H new ATOM 0 HG22 VAL A 561 -10.557 -18.109 17.812 1.00 54.24 H new ATOM 0 HG23 VAL A 561 -9.946 -17.216 19.225 1.00 54.24 H new ATOM 313 N ALA A 562 -8.052 -15.942 16.615 1.00 24.42 N ATOM 314 CA ALA A 562 -6.651 -16.213 16.890 1.00 64.45 C ATOM 315 C ALA A 562 -6.530 -17.542 17.638 1.00 62.52 C ATOM 316 O ALA A 562 -6.897 -17.636 18.808 1.00 4.41 O ATOM 317 CB ALA A 562 -6.049 -15.046 17.674 1.00 2.20 C ATOM 0 H ALA A 562 -8.302 -15.948 15.626 1.00 24.42 H new ATOM 0 HA ALA A 562 -6.089 -16.305 15.961 1.00 64.45 H new ATOM 0 HB1 ALA A 562 -4.998 -15.250 17.880 1.00 2.20 H new ATOM 0 HB2 ALA A 562 -6.133 -14.131 17.087 1.00 2.20 H new ATOM 0 HB3 ALA A 562 -6.586 -14.924 18.615 1.00 2.20 H new ATOM 323 N VAL A 563 -6.014 -18.538 16.931 1.00 12.24 N ATOM 324 CA VAL A 563 -5.840 -19.857 17.514 1.00 34.51 C ATOM 325 C VAL A 563 -4.351 -20.110 17.758 1.00 73.50 C ATOM 326 O VAL A 563 -3.979 -21.122 18.351 1.00 43.05 O ATOM 327 CB VAL A 563 -6.487 -20.915 16.617 1.00 14.23 C ATOM 328 CG1 VAL A 563 -7.991 -21.012 16.881 1.00 13.23 C ATOM 329 CG2 VAL A 563 -6.207 -20.627 15.141 1.00 72.41 C ATOM 0 H VAL A 563 -5.711 -18.457 15.960 1.00 12.24 H new ATOM 0 HA VAL A 563 -6.342 -19.917 18.480 1.00 34.51 H new ATOM 0 HB VAL A 563 -6.041 -21.879 16.861 1.00 14.23 H new ATOM 0 HG11 VAL A 563 -8.426 -21.771 16.231 1.00 13.23 H new ATOM 0 HG12 VAL A 563 -8.161 -21.286 17.922 1.00 13.23 H new ATOM 0 HG13 VAL A 563 -8.459 -20.049 16.678 1.00 13.23 H new ATOM 0 HG21 VAL A 563 -6.678 -21.393 14.525 1.00 72.41 H new ATOM 0 HG22 VAL A 563 -6.613 -19.650 14.878 1.00 72.41 H new ATOM 0 HG23 VAL A 563 -5.131 -20.632 14.967 1.00 72.41 H new ATOM 339 N GLY A 564 -3.540 -19.174 17.289 1.00 70.14 N ATOM 340 CA GLY A 564 -2.100 -19.283 17.448 1.00 1.22 C ATOM 341 C GLY A 564 -1.389 -18.063 16.859 1.00 51.15 C ATOM 342 O GLY A 564 -1.999 -17.009 16.685 1.00 5.43 O ATOM 0 H GLY A 564 -3.853 -18.336 16.799 1.00 70.14 H new ATOM 0 HA2 GLY A 564 -1.853 -19.376 18.506 1.00 1.22 H new ATOM 0 HA3 GLY A 564 -1.744 -20.188 16.956 1.00 1.22 H new ATOM 346 N HIS A 565 -0.110 -18.247 16.566 1.00 20.15 N ATOM 347 CA HIS A 565 0.690 -17.175 16.000 1.00 42.31 C ATOM 348 C HIS A 565 1.380 -17.667 14.726 1.00 54.12 C ATOM 349 O HIS A 565 1.785 -18.825 14.643 1.00 61.23 O ATOM 350 CB HIS A 565 1.676 -16.628 17.034 1.00 2.02 C ATOM 351 CG HIS A 565 1.037 -15.767 18.097 1.00 14.21 C ATOM 352 ND1 HIS A 565 0.432 -16.294 19.225 1.00 11.41 N ATOM 353 CD2 HIS A 565 0.915 -14.412 18.192 1.00 11.42 C ATOM 354 CE1 HIS A 565 -0.030 -15.292 19.958 1.00 13.43 C ATOM 355 NE2 HIS A 565 0.269 -14.126 19.316 1.00 25.13 N ATOM 0 H HIS A 565 0.392 -19.123 16.710 1.00 20.15 H new ATOM 0 HA HIS A 565 0.044 -16.342 15.724 1.00 42.31 H new ATOM 0 HB2 HIS A 565 2.183 -17.464 17.515 1.00 2.02 H new ATOM 0 HB3 HIS A 565 2.440 -16.045 16.520 1.00 2.02 H new ATOM 0 HD2 HIS A 565 1.282 -13.693 17.474 1.00 11.42 H new ATOM 0 HE1 HIS A 565 -0.552 -15.382 20.899 1.00 13.43 H new ATOM 0 HE2 HIS A 565 0.035 -13.189 19.645 1.00 25.13 H new ATOM 363 N GLY A 566 1.491 -16.762 13.764 1.00 21.04 N ATOM 364 CA GLY A 566 2.124 -17.089 12.498 1.00 24.53 C ATOM 365 C GLY A 566 3.635 -17.264 12.670 1.00 52.45 C ATOM 366 O GLY A 566 4.290 -17.888 11.836 1.00 13.31 O ATOM 0 H GLY A 566 1.153 -15.802 13.836 1.00 21.04 H new ATOM 0 HA2 GLY A 566 1.691 -18.006 12.097 1.00 24.53 H new ATOM 0 HA3 GLY A 566 1.926 -16.299 11.773 1.00 24.53 H new ATOM 370 N SER A 567 4.144 -16.701 13.756 1.00 52.14 N ATOM 371 CA SER A 567 5.565 -16.786 14.047 1.00 72.12 C ATOM 372 C SER A 567 5.817 -17.855 15.112 1.00 4.22 C ATOM 373 O SER A 567 6.920 -17.954 15.648 1.00 64.25 O ATOM 374 CB SER A 567 6.114 -15.435 14.509 1.00 22.23 C ATOM 375 OG SER A 567 7.536 -15.443 14.608 1.00 12.41 O ATOM 0 H SER A 567 3.598 -16.184 14.445 1.00 52.14 H new ATOM 0 HA SER A 567 6.086 -17.065 13.131 1.00 72.12 H new ATOM 0 HB2 SER A 567 5.803 -14.659 13.809 1.00 22.23 H new ATOM 0 HB3 SER A 567 5.684 -15.181 15.478 1.00 22.23 H new ATOM 0 HG SER A 567 7.829 -16.273 15.039 1.00 12.41 H new ATOM 381 N ASP A 568 4.777 -18.627 15.388 1.00 30.21 N ATOM 382 CA ASP A 568 4.872 -19.685 16.380 1.00 42.11 C ATOM 383 C ASP A 568 4.858 -21.042 15.674 1.00 23.44 C ATOM 384 O ASP A 568 5.302 -22.043 16.236 1.00 1.43 O ATOM 385 CB ASP A 568 3.687 -19.642 17.346 1.00 33.11 C ATOM 386 CG ASP A 568 3.897 -18.775 18.589 1.00 33.23 C ATOM 387 OD1 ASP A 568 4.845 -17.979 18.660 1.00 33.10 O ATOM 388 OD2 ASP A 568 3.025 -18.944 19.525 1.00 21.12 O ATOM 0 H ASP A 568 3.864 -18.541 14.942 1.00 30.21 H new ATOM 0 HA ASP A 568 5.797 -19.542 16.938 1.00 42.11 H new ATOM 0 HB2 ASP A 568 2.813 -19.275 16.809 1.00 33.11 H new ATOM 0 HB3 ASP A 568 3.461 -20.659 17.665 1.00 33.11 H new ATOM 394 N LEU A 569 4.344 -21.034 14.453 1.00 0.34 N ATOM 395 CA LEU A 569 4.267 -22.252 13.665 1.00 15.03 C ATOM 396 C LEU A 569 5.608 -22.491 12.970 1.00 5.14 C ATOM 397 O LEU A 569 6.452 -21.597 12.916 1.00 15.24 O ATOM 398 CB LEU A 569 3.078 -22.193 12.704 1.00 71.33 C ATOM 399 CG LEU A 569 3.018 -20.972 11.784 1.00 5.34 C ATOM 400 CD1 LEU A 569 4.416 -20.582 11.299 1.00 22.32 C ATOM 401 CD2 LEU A 569 2.053 -21.207 10.621 1.00 31.32 C ATOM 0 H LEU A 569 3.977 -20.203 13.990 1.00 0.34 H new ATOM 0 HA LEU A 569 4.085 -23.112 14.310 1.00 15.03 H new ATOM 0 HB2 LEU A 569 3.093 -23.090 12.084 1.00 71.33 H new ATOM 0 HB3 LEU A 569 2.160 -22.226 13.291 1.00 71.33 H new ATOM 0 HG LEU A 569 2.630 -20.131 12.359 1.00 5.34 H new ATOM 0 HD11 LEU A 569 4.345 -19.711 10.647 1.00 22.32 H new ATOM 0 HD12 LEU A 569 5.045 -20.343 12.156 1.00 22.32 H new ATOM 0 HD13 LEU A 569 4.855 -21.414 10.748 1.00 22.32 H new ATOM 0 HD21 LEU A 569 2.030 -20.323 9.983 1.00 31.32 H new ATOM 0 HD22 LEU A 569 2.387 -22.066 10.039 1.00 31.32 H new ATOM 0 HD23 LEU A 569 1.053 -21.399 11.011 1.00 31.32 H new ATOM 413 N ARG A 570 5.765 -23.702 12.456 1.00 51.21 N ATOM 414 CA ARG A 570 6.990 -24.070 11.767 1.00 50.44 C ATOM 415 C ARG A 570 6.740 -25.260 10.839 1.00 61.32 C ATOM 416 O ARG A 570 5.950 -26.147 11.160 1.00 42.21 O ATOM 417 CB ARG A 570 8.095 -24.430 12.762 1.00 72.33 C ATOM 418 CG ARG A 570 8.441 -23.236 13.653 1.00 10.11 C ATOM 419 CD ARG A 570 9.629 -23.557 14.562 1.00 1.43 C ATOM 420 NE ARG A 570 9.527 -22.784 15.820 1.00 13.14 N ATOM 421 CZ ARG A 570 9.698 -21.447 15.904 1.00 73.41 C ATOM 422 NH1 ARG A 570 9.981 -20.723 14.801 1.00 45.22 N ATOM 423 NH2 ARG A 570 9.583 -20.860 17.080 1.00 3.23 N ATOM 0 H ARG A 570 5.064 -24.441 12.503 1.00 51.21 H new ATOM 0 HA ARG A 570 7.312 -23.209 11.181 1.00 50.44 H new ATOM 0 HB2 ARG A 570 7.774 -25.268 13.380 1.00 72.33 H new ATOM 0 HB3 ARG A 570 8.984 -24.755 12.222 1.00 72.33 H new ATOM 0 HG2 ARG A 570 8.676 -22.371 13.033 1.00 10.11 H new ATOM 0 HG3 ARG A 570 7.576 -22.968 14.260 1.00 10.11 H new ATOM 0 HD2 ARG A 570 9.651 -24.624 14.782 1.00 1.43 H new ATOM 0 HD3 ARG A 570 10.562 -23.317 14.053 1.00 1.43 H new ATOM 0 HE ARG A 570 9.314 -23.293 16.678 1.00 13.14 H new ATOM 0 HH11 ARG A 570 10.067 -21.185 13.896 1.00 45.22 H new ATOM 0 HH12 ARG A 570 10.109 -19.714 14.872 1.00 45.22 H new ATOM 0 HH21 ARG A 570 9.368 -21.415 17.908 1.00 3.23 H new ATOM 0 HH22 ARG A 570 9.709 -19.851 17.161 1.00 3.23 H new ATOM 436 N LYS A 571 7.428 -25.242 9.707 1.00 60.13 N ATOM 437 CA LYS A 571 7.291 -26.309 8.730 1.00 34.32 C ATOM 438 C LYS A 571 8.001 -27.562 9.247 1.00 72.11 C ATOM 439 O LYS A 571 8.877 -27.474 10.106 1.00 14.31 O ATOM 440 CB LYS A 571 7.782 -25.846 7.357 1.00 0.13 C ATOM 441 CG LYS A 571 7.074 -26.609 6.235 1.00 3.45 C ATOM 442 CD LYS A 571 6.958 -25.748 4.976 1.00 65.13 C ATOM 443 CE LYS A 571 8.251 -24.970 4.722 1.00 23.24 C ATOM 444 NZ LYS A 571 8.439 -24.735 3.273 1.00 0.23 N ATOM 0 H LYS A 571 8.082 -24.505 9.444 1.00 60.13 H new ATOM 0 HA LYS A 571 6.241 -26.569 8.595 1.00 34.32 H new ATOM 0 HB2 LYS A 571 7.602 -24.777 7.244 1.00 0.13 H new ATOM 0 HB3 LYS A 571 8.859 -25.998 7.282 1.00 0.13 H new ATOM 0 HG2 LYS A 571 7.625 -27.521 6.007 1.00 3.45 H new ATOM 0 HG3 LYS A 571 6.080 -26.911 6.566 1.00 3.45 H new ATOM 0 HD2 LYS A 571 6.736 -26.381 4.117 1.00 65.13 H new ATOM 0 HD3 LYS A 571 6.126 -25.052 5.082 1.00 65.13 H new ATOM 0 HE2 LYS A 571 8.218 -24.017 5.250 1.00 23.24 H new ATOM 0 HE3 LYS A 571 9.100 -25.525 5.119 1.00 23.24 H new ATOM 0 HZ1 LYS A 571 9.321 -24.206 3.119 1.00 0.23 H new ATOM 0 HZ2 LYS A 571 8.491 -25.648 2.777 1.00 0.23 H new ATOM 0 HZ3 LYS A 571 7.637 -24.186 2.903 1.00 0.23 H new ATOM 457 N VAL A 572 7.597 -28.700 8.701 1.00 13.15 N ATOM 458 CA VAL A 572 8.183 -29.969 9.097 1.00 65.14 C ATOM 459 C VAL A 572 8.841 -30.623 7.880 1.00 72.04 C ATOM 460 O VAL A 572 8.157 -31.010 6.933 1.00 10.41 O ATOM 461 CB VAL A 572 7.122 -30.855 9.751 1.00 74.41 C ATOM 462 CG1 VAL A 572 7.475 -32.336 9.600 1.00 31.41 C ATOM 463 CG2 VAL A 572 6.929 -30.485 11.223 1.00 40.43 C ATOM 0 H VAL A 572 6.871 -28.769 7.988 1.00 13.15 H new ATOM 0 HA VAL A 572 8.961 -29.814 9.844 1.00 65.14 H new ATOM 0 HB VAL A 572 6.177 -30.681 9.236 1.00 74.41 H new ATOM 0 HG11 VAL A 572 6.704 -32.944 10.074 1.00 31.41 H new ATOM 0 HG12 VAL A 572 7.537 -32.589 8.542 1.00 31.41 H new ATOM 0 HG13 VAL A 572 8.435 -32.532 10.077 1.00 31.41 H new ATOM 0 HG21 VAL A 572 6.169 -31.130 11.664 1.00 40.43 H new ATOM 0 HG22 VAL A 572 7.870 -30.615 11.757 1.00 40.43 H new ATOM 0 HG23 VAL A 572 6.610 -29.445 11.298 1.00 40.43 H new ATOM 473 N GLU A 573 10.160 -30.727 7.944 1.00 41.30 N ATOM 474 CA GLU A 573 10.917 -31.327 6.859 1.00 65.10 C ATOM 475 C GLU A 573 10.446 -30.773 5.513 1.00 63.42 C ATOM 476 O GLU A 573 10.496 -31.469 4.500 1.00 71.33 O ATOM 477 CB GLU A 573 10.808 -32.853 6.893 1.00 42.22 C ATOM 478 CG GLU A 573 9.395 -33.310 6.527 1.00 15.40 C ATOM 479 CD GLU A 573 9.395 -34.762 6.046 1.00 31.11 C ATOM 480 OE1 GLU A 573 8.419 -35.210 5.425 1.00 3.32 O ATOM 481 OE2 GLU A 573 10.458 -35.433 6.337 1.00 13.44 O ATOM 0 H GLU A 573 10.724 -30.406 8.731 1.00 41.30 H new ATOM 0 HA GLU A 573 11.968 -31.068 6.988 1.00 65.10 H new ATOM 0 HB2 GLU A 573 11.526 -33.288 6.198 1.00 42.22 H new ATOM 0 HB3 GLU A 573 11.066 -33.217 7.887 1.00 42.22 H new ATOM 0 HG2 GLU A 573 8.741 -33.210 7.393 1.00 15.40 H new ATOM 0 HG3 GLU A 573 8.991 -32.665 5.747 1.00 15.40 H new ATOM 489 N GLY A 574 10.000 -29.526 5.546 1.00 72.55 N ATOM 490 CA GLY A 574 9.520 -28.871 4.340 1.00 21.45 C ATOM 491 C GLY A 574 8.474 -29.732 3.628 1.00 44.50 C ATOM 492 O GLY A 574 8.659 -30.109 2.472 1.00 21.10 O ATOM 0 H GLY A 574 9.961 -28.952 6.388 1.00 72.55 H new ATOM 0 HA2 GLY A 574 9.088 -27.903 4.595 1.00 21.45 H new ATOM 0 HA3 GLY A 574 10.357 -28.679 3.668 1.00 21.45 H new ATOM 496 N THR A 575 7.399 -30.016 4.348 1.00 70.14 N ATOM 497 CA THR A 575 6.324 -30.825 3.799 1.00 54.33 C ATOM 498 C THR A 575 4.972 -30.152 4.045 1.00 73.12 C ATOM 499 O THR A 575 4.348 -29.645 3.114 1.00 72.33 O ATOM 500 CB THR A 575 6.426 -32.224 4.408 1.00 30.24 C ATOM 501 OG1 THR A 575 7.444 -32.863 3.643 1.00 43.30 O ATOM 502 CG2 THR A 575 5.178 -33.070 4.147 1.00 52.44 C ATOM 0 H THR A 575 7.249 -29.701 5.306 1.00 70.14 H new ATOM 0 HA THR A 575 6.413 -30.919 2.717 1.00 54.33 H new ATOM 0 HB THR A 575 6.589 -32.140 5.482 1.00 30.24 H new ATOM 0 HG1 THR A 575 7.805 -33.622 4.148 1.00 43.30 H new ATOM 0 HG21 THR A 575 5.303 -34.053 4.601 1.00 52.44 H new ATOM 0 HG22 THR A 575 4.308 -32.578 4.581 1.00 52.44 H new ATOM 0 HG23 THR A 575 5.033 -33.182 3.073 1.00 52.44 H new ATOM 510 N HIS A 576 4.559 -30.169 5.304 1.00 72.14 N ATOM 511 CA HIS A 576 3.292 -29.567 5.684 1.00 62.10 C ATOM 512 C HIS A 576 3.526 -28.533 6.787 1.00 22.34 C ATOM 513 O HIS A 576 4.465 -28.659 7.572 1.00 33.55 O ATOM 514 CB HIS A 576 2.278 -30.641 6.083 1.00 24.20 C ATOM 515 CG HIS A 576 1.570 -31.282 4.913 1.00 22.03 C ATOM 516 ND1 HIS A 576 1.862 -30.968 3.597 1.00 34.52 N ATOM 517 CD2 HIS A 576 0.582 -32.222 4.876 1.00 42.33 C ATOM 518 CE1 HIS A 576 1.078 -31.692 2.811 1.00 13.15 C ATOM 519 NE2 HIS A 576 0.285 -32.468 3.606 1.00 42.43 N ATOM 0 H HIS A 576 5.079 -30.590 6.074 1.00 72.14 H new ATOM 0 HA HIS A 576 2.862 -29.044 4.829 1.00 62.10 H new ATOM 0 HB2 HIS A 576 2.790 -31.416 6.653 1.00 24.20 H new ATOM 0 HB3 HIS A 576 1.535 -30.197 6.745 1.00 24.20 H new ATOM 0 HD1 HIS A 576 2.561 -30.294 3.285 1.00 34.52 H new ATOM 0 HD2 HIS A 576 0.120 -32.687 5.734 1.00 42.33 H new ATOM 0 HE1 HIS A 576 1.068 -31.672 1.731 1.00 13.15 H new ATOM 527 N HIS A 577 2.657 -27.534 6.812 1.00 75.12 N ATOM 528 CA HIS A 577 2.756 -26.479 7.806 1.00 65.11 C ATOM 529 C HIS A 577 2.074 -26.927 9.100 1.00 52.21 C ATOM 530 O HIS A 577 0.876 -27.205 9.110 1.00 54.21 O ATOM 531 CB HIS A 577 2.192 -25.165 7.262 1.00 45.00 C ATOM 532 CG HIS A 577 2.749 -24.769 5.915 1.00 11.32 C ATOM 533 ND1 HIS A 577 3.823 -23.908 5.772 1.00 52.34 N ATOM 534 CD2 HIS A 577 2.370 -25.125 4.654 1.00 32.23 C ATOM 535 CE1 HIS A 577 4.070 -23.759 4.478 1.00 13.05 C ATOM 536 NE2 HIS A 577 3.168 -24.514 3.788 1.00 52.13 N ATOM 0 H HIS A 577 1.880 -27.433 6.159 1.00 75.12 H new ATOM 0 HA HIS A 577 3.804 -26.289 8.036 1.00 65.11 H new ATOM 0 HB2 HIS A 577 1.108 -25.251 7.185 1.00 45.00 H new ATOM 0 HB3 HIS A 577 2.398 -24.369 7.977 1.00 45.00 H new ATOM 0 HD2 HIS A 577 1.558 -25.791 4.403 1.00 32.23 H new ATOM 0 HE1 HIS A 577 4.848 -23.147 4.046 1.00 13.05 H new ATOM 0 HE2 HIS A 577 3.115 -24.596 2.773 1.00 52.13 H new ATOM 544 N VAL A 578 2.866 -26.983 10.160 1.00 1.23 N ATOM 545 CA VAL A 578 2.353 -27.392 11.457 1.00 63.02 C ATOM 546 C VAL A 578 2.618 -26.284 12.478 1.00 54.31 C ATOM 547 O VAL A 578 3.759 -25.865 12.663 1.00 1.31 O ATOM 548 CB VAL A 578 2.964 -28.735 11.861 1.00 63.30 C ATOM 549 CG1 VAL A 578 2.430 -29.867 10.982 1.00 74.53 C ATOM 550 CG2 VAL A 578 4.492 -28.679 11.813 1.00 5.14 C ATOM 0 H VAL A 578 3.859 -26.752 10.148 1.00 1.23 H new ATOM 0 HA VAL A 578 1.274 -27.541 11.411 1.00 63.02 H new ATOM 0 HB VAL A 578 2.668 -28.941 12.890 1.00 63.30 H new ATOM 0 HG11 VAL A 578 2.880 -30.810 11.290 1.00 74.53 H new ATOM 0 HG12 VAL A 578 1.347 -29.930 11.088 1.00 74.53 H new ATOM 0 HG13 VAL A 578 2.682 -29.668 9.940 1.00 74.53 H new ATOM 0 HG21 VAL A 578 4.901 -29.646 12.105 1.00 5.14 H new ATOM 0 HG22 VAL A 578 4.816 -28.439 10.800 1.00 5.14 H new ATOM 0 HG23 VAL A 578 4.850 -27.912 12.500 1.00 5.14 H new ATOM 560 N ASN A 579 1.543 -25.840 13.114 1.00 61.42 N ATOM 561 CA ASN A 579 1.645 -24.789 14.111 1.00 15.24 C ATOM 562 C ASN A 579 1.738 -25.419 15.503 1.00 51.24 C ATOM 563 O ASN A 579 0.759 -25.968 16.006 1.00 2.33 O ATOM 564 CB ASN A 579 0.412 -23.883 14.084 1.00 33.24 C ATOM 565 CG ASN A 579 0.352 -23.001 15.333 1.00 34.32 C ATOM 566 OD1 ASN A 579 1.528 -22.501 15.699 1.00 21.11 O flip ATOM 567 ND2 ASN A 579 -0.694 -22.789 15.925 1.00 22.13 N flip ATOM 0 H ASN A 579 0.598 -26.189 12.958 1.00 61.42 H new ATOM 0 HA ASN A 579 2.533 -24.197 13.888 1.00 15.24 H new ATOM 0 HB2 ASN A 579 0.436 -23.256 13.193 1.00 33.24 H new ATOM 0 HB3 ASN A 579 -0.490 -24.492 14.021 1.00 33.24 H new ATOM 0 HD21 ASN A 579 -1.563 -23.205 15.590 1.00 22.13 H new ATOM 0 HD22 ASN A 579 -0.699 -22.196 16.755 1.00 22.13 H new ATOM 574 N VAL A 580 2.924 -25.319 16.084 1.00 2.31 N ATOM 575 CA VAL A 580 3.158 -25.872 17.407 1.00 1.12 C ATOM 576 C VAL A 580 2.578 -24.926 18.461 1.00 44.24 C ATOM 577 O VAL A 580 2.731 -23.710 18.359 1.00 41.50 O ATOM 578 CB VAL A 580 4.651 -26.144 17.604 1.00 11.43 C ATOM 579 CG1 VAL A 580 4.884 -27.096 18.779 1.00 44.40 C ATOM 580 CG2 VAL A 580 5.283 -26.689 16.322 1.00 32.12 C ATOM 0 H VAL A 580 3.734 -24.863 15.663 1.00 2.31 H new ATOM 0 HA VAL A 580 2.650 -26.830 17.516 1.00 1.12 H new ATOM 0 HB VAL A 580 5.136 -25.197 17.839 1.00 11.43 H new ATOM 0 HG11 VAL A 580 5.953 -27.273 18.898 1.00 44.40 H new ATOM 0 HG12 VAL A 580 4.486 -26.652 19.692 1.00 44.40 H new ATOM 0 HG13 VAL A 580 4.379 -28.042 18.586 1.00 44.40 H new ATOM 0 HG21 VAL A 580 6.344 -26.874 16.489 1.00 32.12 H new ATOM 0 HG22 VAL A 580 4.792 -27.621 16.042 1.00 32.12 H new ATOM 0 HG23 VAL A 580 5.164 -25.961 15.520 1.00 32.12 H new ATOM 590 N ASN A 581 1.925 -25.520 19.448 1.00 23.23 N ATOM 591 CA ASN A 581 1.322 -24.746 20.519 1.00 0.44 C ATOM 592 C ASN A 581 0.616 -25.692 21.492 1.00 31.22 C ATOM 593 O ASN A 581 -0.184 -26.530 21.078 1.00 22.14 O ATOM 594 CB ASN A 581 0.281 -23.767 19.973 1.00 71.05 C ATOM 595 CG ASN A 581 0.906 -22.398 19.699 1.00 42.25 C ATOM 596 OD1 ASN A 581 0.947 -21.918 18.577 1.00 33.15 O ATOM 597 ND2 ASN A 581 1.390 -21.797 20.782 1.00 20.42 N ATOM 0 H ASN A 581 1.800 -26.529 19.529 1.00 23.23 H new ATOM 0 HA ASN A 581 2.114 -24.189 21.019 1.00 0.44 H new ATOM 0 HB2 ASN A 581 -0.150 -24.164 19.054 1.00 71.05 H new ATOM 0 HB3 ASN A 581 -0.535 -23.662 20.688 1.00 71.05 H new ATOM 0 HD21 ASN A 581 1.828 -20.879 20.703 1.00 20.42 H new ATOM 0 HD22 ASN A 581 1.323 -22.254 21.692 1.00 20.42 H new ATOM 604 N PRO A 582 0.946 -25.523 22.801 1.00 52.43 N ATOM 605 CA PRO A 582 0.352 -26.352 23.836 1.00 43.23 C ATOM 606 C PRO A 582 -1.094 -25.935 24.110 1.00 0.23 C ATOM 607 O PRO A 582 -1.917 -26.759 24.507 1.00 42.33 O ATOM 608 CB PRO A 582 1.259 -26.182 25.044 1.00 70.33 C ATOM 609 CG PRO A 582 2.056 -24.913 24.792 1.00 44.05 C ATOM 610 CD PRO A 582 1.889 -24.541 23.327 1.00 11.55 C ATOM 0 HA PRO A 582 0.286 -27.401 23.549 1.00 43.23 H new ATOM 0 HB2 PRO A 582 0.676 -26.101 25.962 1.00 70.33 H new ATOM 0 HB3 PRO A 582 1.919 -27.041 25.160 1.00 70.33 H new ATOM 0 HG2 PRO A 582 1.702 -24.106 25.434 1.00 44.05 H new ATOM 0 HG3 PRO A 582 3.108 -25.070 25.029 1.00 44.05 H new ATOM 0 HD2 PRO A 582 1.507 -23.526 23.217 1.00 11.55 H new ATOM 0 HD3 PRO A 582 2.841 -24.582 22.797 1.00 11.55 H new ATOM 618 N ASN A 583 -1.360 -24.656 23.889 1.00 43.15 N ATOM 619 CA ASN A 583 -2.692 -24.120 24.107 1.00 53.50 C ATOM 620 C ASN A 583 -3.557 -24.397 22.876 1.00 73.31 C ATOM 621 O ASN A 583 -4.754 -24.113 22.877 1.00 71.51 O ATOM 622 CB ASN A 583 -2.648 -22.605 24.322 1.00 72.42 C ATOM 623 CG ASN A 583 -1.315 -22.178 24.940 1.00 54.11 C ATOM 624 OD1 ASN A 583 -1.076 -22.327 26.127 1.00 41.41 O ATOM 625 ND2 ASN A 583 -0.464 -21.640 24.071 1.00 12.12 N ATOM 0 H ASN A 583 -0.675 -23.975 23.561 1.00 43.15 H new ATOM 0 HA ASN A 583 -3.107 -24.599 24.994 1.00 53.50 H new ATOM 0 HB2 ASN A 583 -2.792 -22.095 23.370 1.00 72.42 H new ATOM 0 HB3 ASN A 583 -3.468 -22.302 24.973 1.00 72.42 H new ATOM 0 HD21 ASN A 583 0.453 -21.323 24.385 1.00 12.12 H new ATOM 0 HD22 ASN A 583 -0.728 -21.545 23.090 1.00 12.12 H new ATOM 632 N PHE A 584 -2.918 -24.949 21.855 1.00 3.11 N ATOM 633 CA PHE A 584 -3.614 -25.268 20.620 1.00 23.22 C ATOM 634 C PHE A 584 -4.646 -26.375 20.843 1.00 22.50 C ATOM 635 O PHE A 584 -5.701 -26.381 20.211 1.00 33.35 O ATOM 636 CB PHE A 584 -2.559 -25.762 19.628 1.00 75.34 C ATOM 637 CG PHE A 584 -2.873 -25.426 18.168 1.00 21.02 C ATOM 638 CD1 PHE A 584 -2.962 -24.128 17.774 1.00 53.43 C ATOM 639 CD2 PHE A 584 -3.062 -26.426 17.266 1.00 50.44 C ATOM 640 CE1 PHE A 584 -3.253 -23.815 16.419 1.00 30.53 C ATOM 641 CE2 PHE A 584 -3.353 -26.113 15.911 1.00 22.52 C ATOM 642 CZ PHE A 584 -3.442 -24.815 15.517 1.00 72.14 C ATOM 0 H PHE A 584 -1.925 -25.184 21.858 1.00 3.11 H new ATOM 0 HA PHE A 584 -4.140 -24.388 20.250 1.00 23.22 H new ATOM 0 HB2 PHE A 584 -1.595 -25.326 19.891 1.00 75.34 H new ATOM 0 HB3 PHE A 584 -2.459 -26.843 19.728 1.00 75.34 H new ATOM 0 HD1 PHE A 584 -2.811 -23.335 18.491 1.00 53.43 H new ATOM 0 HD2 PHE A 584 -2.991 -27.457 17.579 1.00 50.44 H new ATOM 0 HE1 PHE A 584 -3.324 -22.784 16.106 1.00 30.53 H new ATOM 0 HE2 PHE A 584 -3.504 -26.906 15.194 1.00 22.52 H new ATOM 0 HZ PHE A 584 -3.663 -24.578 14.487 1.00 72.14 H new ATOM 652 N SER A 585 -4.305 -27.286 21.743 1.00 2.11 N ATOM 653 CA SER A 585 -5.189 -28.396 22.057 1.00 2.41 C ATOM 654 C SER A 585 -6.539 -27.867 22.546 1.00 62.11 C ATOM 655 O SER A 585 -7.555 -28.551 22.433 1.00 20.14 O ATOM 656 CB SER A 585 -4.566 -29.315 23.110 1.00 51.13 C ATOM 657 OG SER A 585 -3.300 -29.821 22.695 1.00 73.24 O ATOM 0 H SER A 585 -3.429 -27.278 22.265 1.00 2.11 H new ATOM 0 HA SER A 585 -5.342 -28.980 21.149 1.00 2.41 H new ATOM 0 HB2 SER A 585 -4.449 -28.768 24.045 1.00 51.13 H new ATOM 0 HB3 SER A 585 -5.241 -30.147 23.310 1.00 51.13 H new ATOM 0 HG SER A 585 -3.381 -30.210 21.799 1.00 73.24 H new ATOM 663 N ASN A 586 -6.506 -26.654 23.078 1.00 22.33 N ATOM 664 CA ASN A 586 -7.714 -26.026 23.585 1.00 72.03 C ATOM 665 C ASN A 586 -8.415 -25.285 22.444 1.00 2.13 C ATOM 666 O ASN A 586 -9.589 -24.934 22.556 1.00 65.23 O ATOM 667 CB ASN A 586 -7.388 -25.009 24.680 1.00 55.30 C ATOM 668 CG ASN A 586 -7.353 -25.677 26.056 1.00 45.11 C ATOM 669 OD1 ASN A 586 -8.324 -26.249 26.522 1.00 21.04 O ATOM 670 ND2 ASN A 586 -6.181 -25.573 26.677 1.00 13.23 N ATOM 0 H ASN A 586 -5.661 -26.089 23.169 1.00 22.33 H new ATOM 0 HA ASN A 586 -8.353 -26.807 23.997 1.00 72.03 H new ATOM 0 HB2 ASN A 586 -6.424 -24.543 24.473 1.00 55.30 H new ATOM 0 HB3 ASN A 586 -8.134 -24.214 24.677 1.00 55.30 H new ATOM 0 HD21 ASN A 586 -6.055 -25.986 27.601 1.00 13.23 H new ATOM 0 HD22 ASN A 586 -5.409 -25.080 26.229 1.00 13.23 H new ATOM 677 N TYR A 587 -7.665 -25.068 21.373 1.00 34.34 N ATOM 678 CA TYR A 587 -8.200 -24.375 20.214 1.00 61.35 C ATOM 679 C TYR A 587 -8.754 -25.367 19.189 1.00 32.41 C ATOM 680 O TYR A 587 -9.283 -24.966 18.154 1.00 43.24 O ATOM 681 CB TYR A 587 -7.022 -23.623 19.592 1.00 64.24 C ATOM 682 CG TYR A 587 -6.835 -22.204 20.131 1.00 53.55 C ATOM 683 CD1 TYR A 587 -7.898 -21.323 20.137 1.00 43.25 C ATOM 684 CD2 TYR A 587 -5.605 -21.804 20.611 1.00 43.43 C ATOM 685 CE1 TYR A 587 -7.722 -19.987 20.644 1.00 54.53 C ATOM 686 CE2 TYR A 587 -5.429 -20.467 21.118 1.00 73.31 C ATOM 687 CZ TYR A 587 -6.497 -19.625 21.109 1.00 2.34 C ATOM 688 OH TYR A 587 -6.331 -18.363 21.588 1.00 12.34 O ATOM 0 H TYR A 587 -6.692 -25.360 21.284 1.00 34.34 H new ATOM 0 HA TYR A 587 -9.014 -23.711 20.506 1.00 61.35 H new ATOM 0 HB2 TYR A 587 -6.108 -24.191 19.768 1.00 64.24 H new ATOM 0 HB3 TYR A 587 -7.164 -23.575 18.512 1.00 64.24 H new ATOM 0 HD1 TYR A 587 -8.861 -21.636 19.762 1.00 43.25 H new ATOM 0 HD2 TYR A 587 -4.774 -22.493 20.607 1.00 43.43 H new ATOM 0 HE1 TYR A 587 -8.545 -19.288 20.655 1.00 54.53 H new ATOM 0 HE2 TYR A 587 -4.471 -20.141 21.496 1.00 73.31 H new ATOM 0 HH TYR A 587 -6.456 -17.718 20.861 1.00 12.34 H new ATOM 698 N TYR A 588 -8.614 -26.644 19.514 1.00 74.31 N ATOM 699 CA TYR A 588 -9.095 -27.697 18.635 1.00 64.01 C ATOM 700 C TYR A 588 -9.364 -28.984 19.417 1.00 21.11 C ATOM 701 O TYR A 588 -8.807 -29.188 20.495 1.00 62.14 O ATOM 702 CB TYR A 588 -7.970 -27.952 17.629 1.00 55.43 C ATOM 703 CG TYR A 588 -6.833 -28.817 18.173 1.00 64.41 C ATOM 704 CD1 TYR A 588 -7.048 -30.155 18.435 1.00 61.22 C ATOM 705 CD2 TYR A 588 -5.591 -28.261 18.402 1.00 45.30 C ATOM 706 CE1 TYR A 588 -5.977 -30.970 18.947 1.00 21.10 C ATOM 707 CE2 TYR A 588 -4.520 -29.076 18.914 1.00 5.42 C ATOM 708 CZ TYR A 588 -4.766 -30.390 19.161 1.00 24.15 C ATOM 709 OH TYR A 588 -3.754 -31.160 19.645 1.00 10.32 O ATOM 0 H TYR A 588 -8.175 -26.973 20.374 1.00 74.31 H new ATOM 0 HA TYR A 588 -10.027 -27.400 18.155 1.00 64.01 H new ATOM 0 HB2 TYR A 588 -8.389 -28.434 16.746 1.00 55.43 H new ATOM 0 HB3 TYR A 588 -7.562 -26.994 17.306 1.00 55.43 H new ATOM 0 HD1 TYR A 588 -8.020 -30.591 18.256 1.00 61.22 H new ATOM 0 HD2 TYR A 588 -5.422 -27.214 18.197 1.00 45.30 H new ATOM 0 HE1 TYR A 588 -6.132 -32.018 19.156 1.00 21.10 H new ATOM 0 HE2 TYR A 588 -3.543 -28.653 19.098 1.00 5.42 H new ATOM 0 HH TYR A 588 -2.947 -30.613 19.748 1.00 10.32 H new ATOM 719 N ASN A 589 -10.218 -29.819 18.844 1.00 32.11 N ATOM 720 CA ASN A 589 -10.568 -31.081 19.474 1.00 12.21 C ATOM 721 C ASN A 589 -10.342 -32.222 18.480 1.00 33.14 C ATOM 722 O ASN A 589 -10.924 -32.230 17.397 1.00 60.54 O ATOM 723 CB ASN A 589 -12.041 -31.100 19.889 1.00 42.42 C ATOM 724 CG ASN A 589 -12.538 -29.689 20.210 1.00 2.24 C ATOM 725 OD1 ASN A 589 -11.754 -29.017 21.049 1.00 13.15 O flip ATOM 726 ND2 ASN A 589 -13.565 -29.240 19.729 1.00 44.14 N flip ATOM 0 H ASN A 589 -10.678 -29.646 17.950 1.00 32.11 H new ATOM 0 HA ASN A 589 -9.943 -31.201 20.359 1.00 12.21 H new ATOM 0 HB2 ASN A 589 -12.643 -31.528 19.087 1.00 42.42 H new ATOM 0 HB3 ASN A 589 -12.169 -31.742 20.761 1.00 42.42 H new ATOM 0 HD21 ASN A 589 -14.121 -29.809 19.091 1.00 44.14 H new ATOM 0 HD22 ASN A 589 -13.868 -28.295 19.965 1.00 44.14 H new ATOM 733 N VAL A 590 -9.496 -33.158 18.885 1.00 12.23 N ATOM 734 CA VAL A 590 -9.186 -34.301 18.044 1.00 73.20 C ATOM 735 C VAL A 590 -10.389 -35.246 18.012 1.00 72.23 C ATOM 736 O VAL A 590 -10.983 -35.537 19.049 1.00 24.11 O ATOM 737 CB VAL A 590 -7.906 -34.980 18.534 1.00 22.15 C ATOM 738 CG1 VAL A 590 -7.822 -36.422 18.030 1.00 43.24 C ATOM 739 CG2 VAL A 590 -6.669 -34.181 18.121 1.00 45.15 C ATOM 0 H VAL A 590 -9.016 -33.148 19.785 1.00 12.23 H new ATOM 0 HA VAL A 590 -8.996 -33.981 17.020 1.00 73.20 H new ATOM 0 HB VAL A 590 -7.938 -35.008 19.623 1.00 22.15 H new ATOM 0 HG11 VAL A 590 -6.903 -36.881 18.393 1.00 43.24 H new ATOM 0 HG12 VAL A 590 -8.679 -36.986 18.397 1.00 43.24 H new ATOM 0 HG13 VAL A 590 -7.824 -36.427 16.940 1.00 43.24 H new ATOM 0 HG21 VAL A 590 -5.773 -34.686 18.482 1.00 45.15 H new ATOM 0 HG22 VAL A 590 -6.630 -34.106 17.034 1.00 45.15 H new ATOM 0 HG23 VAL A 590 -6.721 -33.181 18.552 1.00 45.15 H new ATOM 749 N SER A 591 -10.713 -35.699 16.810 1.00 73.24 N ATOM 750 CA SER A 591 -11.835 -36.605 16.629 1.00 63.25 C ATOM 751 C SER A 591 -11.714 -37.787 17.593 1.00 11.43 C ATOM 752 O SER A 591 -10.678 -37.969 18.231 1.00 50.31 O ATOM 753 CB SER A 591 -11.911 -37.105 15.185 1.00 54.05 C ATOM 754 OG SER A 591 -12.760 -38.243 15.058 1.00 65.12 O ATOM 0 H SER A 591 -10.218 -35.456 15.952 1.00 73.24 H new ATOM 0 HA SER A 591 -12.753 -36.060 16.846 1.00 63.25 H new ATOM 0 HB2 SER A 591 -12.279 -36.305 14.543 1.00 54.05 H new ATOM 0 HB3 SER A 591 -10.910 -37.359 14.836 1.00 54.05 H new ATOM 0 HG SER A 591 -12.783 -38.531 14.121 1.00 65.12 H new ATOM 966 N TRP A 604 7.318 -39.293 9.882 1.00 45.11 N ATOM 967 CA TRP A 604 6.500 -38.987 11.043 1.00 71.40 C ATOM 968 C TRP A 604 5.243 -39.857 10.978 1.00 60.45 C ATOM 969 O TRP A 604 4.913 -40.400 9.924 1.00 42.42 O ATOM 970 CB TRP A 604 6.188 -37.491 11.116 1.00 63.32 C ATOM 971 CG TRP A 604 5.298 -36.985 9.979 1.00 62.00 C ATOM 972 CD1 TRP A 604 4.932 -37.635 8.866 1.00 72.11 C ATOM 973 CD2 TRP A 604 4.673 -35.687 9.889 1.00 22.31 C ATOM 974 NE1 TRP A 604 4.120 -36.855 8.068 1.00 12.54 N ATOM 975 CE2 TRP A 604 3.957 -35.632 8.711 1.00 65.54 C ATOM 976 CE3 TRP A 604 4.711 -34.596 10.775 1.00 42.13 C ATOM 977 CZ2 TRP A 604 3.226 -34.508 8.309 1.00 22.13 C ATOM 978 CZ3 TRP A 604 3.975 -33.480 10.359 1.00 2.31 C ATOM 979 CH2 TRP A 604 3.250 -33.409 9.176 1.00 53.43 C ATOM 0 HA TRP A 604 7.036 -39.217 11.964 1.00 71.40 H new ATOM 0 HB2 TRP A 604 5.701 -37.278 12.067 1.00 63.32 H new ATOM 0 HB3 TRP A 604 7.125 -36.934 11.106 1.00 63.32 H new ATOM 0 HD1 TRP A 604 5.235 -38.643 8.624 1.00 72.11 H new ATOM 0 HE1 TRP A 604 3.714 -37.125 7.172 1.00 12.54 H new ATOM 0 HE3 TRP A 604 5.264 -34.617 11.703 1.00 42.13 H new ATOM 0 HZ2 TRP A 604 2.674 -34.490 7.381 1.00 22.13 H new ATOM 0 HZ3 TRP A 604 3.971 -32.613 11.003 1.00 2.31 H new ATOM 0 HH2 TRP A 604 2.707 -32.509 8.926 1.00 53.43 H new ATOM 990 N LYS A 605 4.576 -39.964 12.117 1.00 13.31 N ATOM 991 CA LYS A 605 3.362 -40.759 12.203 1.00 43.44 C ATOM 992 C LYS A 605 2.158 -39.828 12.353 1.00 15.42 C ATOM 993 O LYS A 605 2.297 -38.695 12.811 1.00 3.23 O ATOM 994 CB LYS A 605 3.480 -41.798 13.319 1.00 1.34 C ATOM 995 CG LYS A 605 2.980 -41.232 14.650 1.00 51.50 C ATOM 996 CD LYS A 605 2.985 -42.306 15.739 1.00 12.24 C ATOM 997 CE LYS A 605 1.872 -42.057 16.760 1.00 42.03 C ATOM 998 NZ LYS A 605 2.158 -42.773 18.023 1.00 73.41 N ATOM 0 H LYS A 605 4.853 -39.513 12.989 1.00 13.31 H new ATOM 0 HA LYS A 605 3.213 -41.328 11.285 1.00 43.44 H new ATOM 0 HB2 LYS A 605 2.903 -42.685 13.057 1.00 1.34 H new ATOM 0 HB3 LYS A 605 4.519 -42.112 13.420 1.00 1.34 H new ATOM 0 HG2 LYS A 605 3.612 -40.397 14.954 1.00 51.50 H new ATOM 0 HG3 LYS A 605 1.971 -40.839 14.526 1.00 51.50 H new ATOM 0 HD2 LYS A 605 2.855 -43.289 15.286 1.00 12.24 H new ATOM 0 HD3 LYS A 605 3.951 -42.313 16.243 1.00 12.24 H new ATOM 0 HE2 LYS A 605 1.780 -40.988 16.954 1.00 42.03 H new ATOM 0 HE3 LYS A 605 0.917 -42.390 16.354 1.00 42.03 H new ATOM 0 HZ1 LYS A 605 1.393 -42.593 18.705 1.00 73.41 H new ATOM 0 HZ2 LYS A 605 2.223 -43.794 17.836 1.00 73.41 H new ATOM 0 HZ3 LYS A 605 3.059 -42.435 18.417 1.00 73.41 H new ATOM 1011 N PRO A 606 0.971 -40.354 11.948 1.00 15.34 N ATOM 1012 CA PRO A 606 -0.258 -39.583 12.034 1.00 41.52 C ATOM 1013 C PRO A 606 -0.751 -39.494 13.480 1.00 64.24 C ATOM 1014 O PRO A 606 -0.154 -40.083 14.380 1.00 44.23 O ATOM 1015 CB PRO A 606 -1.236 -40.297 11.116 1.00 62.34 C ATOM 1016 CG PRO A 606 -0.673 -41.695 10.913 1.00 5.44 C ATOM 1017 CD PRO A 606 0.767 -41.692 11.401 1.00 42.23 C ATOM 0 HA PRO A 606 -0.126 -38.546 11.724 1.00 41.52 H new ATOM 0 HB2 PRO A 606 -2.230 -40.337 11.560 1.00 62.34 H new ATOM 0 HB3 PRO A 606 -1.333 -39.773 10.165 1.00 62.34 H new ATOM 0 HG2 PRO A 606 -1.262 -42.428 11.465 1.00 5.44 H new ATOM 0 HG3 PRO A 606 -0.719 -41.976 9.861 1.00 5.44 H new ATOM 0 HD2 PRO A 606 0.930 -42.458 12.159 1.00 42.23 H new ATOM 0 HD3 PRO A 606 1.462 -41.897 10.586 1.00 42.23 H new ATOM 1025 N GLY A 607 -1.835 -38.754 13.657 1.00 31.33 N ATOM 1026 CA GLY A 607 -2.415 -38.581 14.978 1.00 30.54 C ATOM 1027 C GLY A 607 -3.941 -38.686 14.926 1.00 44.24 C ATOM 1028 O GLY A 607 -4.487 -39.780 14.797 1.00 34.13 O ATOM 0 H GLY A 607 -2.327 -38.267 12.908 1.00 31.33 H new ATOM 0 HA2 GLY A 607 -2.018 -39.337 15.655 1.00 30.54 H new ATOM 0 HA3 GLY A 607 -2.127 -37.610 15.381 1.00 30.54 H new ATOM 1032 N GLY A 608 -4.585 -37.532 15.027 1.00 24.41 N ATOM 1033 CA GLY A 608 -6.036 -37.480 14.992 1.00 33.25 C ATOM 1034 C GLY A 608 -6.523 -36.225 14.265 1.00 24.11 C ATOM 1035 O GLY A 608 -5.899 -35.169 14.357 1.00 65.12 O ATOM 0 H GLY A 608 -4.128 -36.626 15.133 1.00 24.41 H new ATOM 0 HA2 GLY A 608 -6.423 -38.368 14.492 1.00 33.25 H new ATOM 0 HA3 GLY A 608 -6.428 -37.491 16.009 1.00 33.25 H new ATOM 1039 N VAL A 609 -7.633 -36.382 13.559 1.00 45.02 N ATOM 1040 CA VAL A 609 -8.210 -35.274 12.816 1.00 22.51 C ATOM 1041 C VAL A 609 -8.352 -34.065 13.742 1.00 55.43 C ATOM 1042 O VAL A 609 -8.855 -34.188 14.857 1.00 33.15 O ATOM 1043 CB VAL A 609 -9.535 -35.703 12.184 1.00 55.04 C ATOM 1044 CG1 VAL A 609 -10.178 -34.544 11.418 1.00 23.25 C ATOM 1045 CG2 VAL A 609 -9.342 -36.919 11.276 1.00 60.31 C ATOM 0 H VAL A 609 -8.148 -37.259 13.486 1.00 45.02 H new ATOM 0 HA VAL A 609 -7.555 -34.980 11.996 1.00 22.51 H new ATOM 0 HB VAL A 609 -10.212 -35.990 12.989 1.00 55.04 H new ATOM 0 HG11 VAL A 609 -11.119 -34.876 10.978 1.00 23.25 H new ATOM 0 HG12 VAL A 609 -10.369 -33.717 12.102 1.00 23.25 H new ATOM 0 HG13 VAL A 609 -9.505 -34.213 10.627 1.00 23.25 H new ATOM 0 HG21 VAL A 609 -10.300 -37.203 10.840 1.00 60.31 H new ATOM 0 HG22 VAL A 609 -8.640 -36.671 10.480 1.00 60.31 H new ATOM 0 HG23 VAL A 609 -8.949 -37.751 11.860 1.00 60.31 H new ATOM 1055 N ILE A 610 -7.901 -32.923 13.244 1.00 1.33 N ATOM 1056 CA ILE A 610 -7.972 -31.692 14.013 1.00 40.53 C ATOM 1057 C ILE A 610 -9.129 -30.836 13.492 1.00 64.23 C ATOM 1058 O ILE A 610 -9.526 -30.962 12.334 1.00 11.05 O ATOM 1059 CB ILE A 610 -6.621 -30.973 14.000 1.00 72.05 C ATOM 1060 CG1 ILE A 610 -5.470 -31.972 13.866 1.00 30.14 C ATOM 1061 CG2 ILE A 610 -6.464 -30.078 15.231 1.00 72.23 C ATOM 1062 CD1 ILE A 610 -4.143 -31.339 14.290 1.00 31.35 C ATOM 0 H ILE A 610 -7.485 -32.824 12.318 1.00 1.33 H new ATOM 0 HA ILE A 610 -8.182 -31.909 15.060 1.00 40.53 H new ATOM 0 HB ILE A 610 -6.587 -30.324 13.125 1.00 72.05 H new ATOM 0 HG12 ILE A 610 -5.672 -32.849 14.481 1.00 30.14 H new ATOM 0 HG13 ILE A 610 -5.400 -32.315 12.834 1.00 30.14 H new ATOM 0 HG21 ILE A 610 -5.496 -29.579 15.197 1.00 72.23 H new ATOM 0 HG22 ILE A 610 -7.257 -29.331 15.241 1.00 72.23 H new ATOM 0 HG23 ILE A 610 -6.527 -30.686 16.133 1.00 72.23 H new ATOM 0 HD11 ILE A 610 -3.341 -32.070 14.185 1.00 31.35 H new ATOM 0 HD12 ILE A 610 -3.933 -30.477 13.657 1.00 31.35 H new ATOM 0 HD13 ILE A 610 -4.208 -31.019 15.330 1.00 31.35 H new ATOM 1074 N SER A 611 -9.636 -29.985 14.371 1.00 33.32 N ATOM 1075 CA SER A 611 -10.739 -29.109 14.015 1.00 74.45 C ATOM 1076 C SER A 611 -10.762 -27.892 14.941 1.00 45.11 C ATOM 1077 O SER A 611 -10.456 -28.004 16.127 1.00 63.20 O ATOM 1078 CB SER A 611 -12.076 -29.852 14.081 1.00 3.54 C ATOM 1079 OG SER A 611 -12.636 -29.825 15.391 1.00 21.34 O ATOM 0 H SER A 611 -9.303 -29.883 15.330 1.00 33.32 H new ATOM 0 HA SER A 611 -10.591 -28.773 12.989 1.00 74.45 H new ATOM 0 HB2 SER A 611 -12.776 -29.402 13.378 1.00 3.54 H new ATOM 0 HB3 SER A 611 -11.932 -30.886 13.769 1.00 3.54 H new ATOM 0 HG SER A 611 -13.489 -30.308 15.392 1.00 21.34 H new ATOM 1085 N CYS A 612 -11.126 -26.756 14.364 1.00 33.23 N ATOM 1086 CA CYS A 612 -11.192 -25.519 15.123 1.00 14.03 C ATOM 1087 C CYS A 612 -12.314 -25.648 16.156 1.00 25.33 C ATOM 1088 O CYS A 612 -13.476 -25.825 15.797 1.00 74.34 O ATOM 1089 CB CYS A 612 -11.393 -24.306 14.212 1.00 20.40 C ATOM 1090 SG CYS A 612 -11.122 -22.687 15.019 1.00 2.42 S ATOM 0 H CYS A 612 -11.378 -26.667 13.380 1.00 33.23 H new ATOM 0 HA CYS A 612 -10.244 -25.353 15.635 1.00 14.03 H new ATOM 0 HB2 CYS A 612 -10.715 -24.391 13.363 1.00 20.40 H new ATOM 0 HB3 CYS A 612 -12.407 -24.332 13.814 1.00 20.40 H new ATOM 0 HG CYS A 612 -12.112 -21.892 14.740 1.00 2.42 H new ATOM 1095 N ARG A 613 -11.925 -25.555 17.419 1.00 4.04 N ATOM 1096 CA ARG A 613 -12.883 -25.659 18.507 1.00 65.40 C ATOM 1097 C ARG A 613 -13.747 -24.399 18.576 1.00 4.31 C ATOM 1098 O ARG A 613 -14.863 -24.434 19.092 1.00 62.42 O ATOM 1099 CB ARG A 613 -12.173 -25.858 19.848 1.00 15.42 C ATOM 1100 CG ARG A 613 -13.162 -25.754 21.011 1.00 30.45 C ATOM 1101 CD ARG A 613 -12.433 -25.794 22.356 1.00 44.11 C ATOM 1102 NE ARG A 613 -13.204 -26.602 23.327 1.00 70.04 N ATOM 1103 CZ ARG A 613 -12.737 -26.984 24.534 1.00 5.01 C ATOM 1104 NH1 ARG A 613 -11.494 -26.634 24.930 1.00 14.40 N ATOM 1105 NH2 ARG A 613 -13.512 -27.705 25.322 1.00 72.32 N ATOM 0 H ARG A 613 -10.959 -25.409 17.713 1.00 4.04 H new ATOM 0 HA ARG A 613 -13.515 -26.525 18.311 1.00 65.40 H new ATOM 0 HB2 ARG A 613 -11.687 -26.833 19.865 1.00 15.42 H new ATOM 0 HB3 ARG A 613 -11.389 -25.109 19.964 1.00 15.42 H new ATOM 0 HG2 ARG A 613 -13.730 -24.827 20.928 1.00 30.45 H new ATOM 0 HG3 ARG A 613 -13.879 -26.573 20.958 1.00 30.45 H new ATOM 0 HD2 ARG A 613 -11.437 -26.219 22.227 1.00 44.11 H new ATOM 0 HD3 ARG A 613 -12.301 -24.781 22.737 1.00 44.11 H new ATOM 0 HE ARG A 613 -14.148 -26.888 23.067 1.00 70.04 H new ATOM 0 HH11 ARG A 613 -10.901 -26.077 24.315 1.00 14.40 H new ATOM 0 HH12 ARG A 613 -11.149 -26.927 25.844 1.00 14.40 H new ATOM 0 HH21 ARG A 613 -14.449 -27.966 25.016 1.00 72.32 H new ATOM 0 HH22 ARG A 613 -13.174 -28.002 26.237 1.00 72.32 H new ATOM 1118 N ASN A 614 -13.198 -23.314 18.049 1.00 22.02 N ATOM 1119 CA ASN A 614 -13.905 -22.044 18.045 1.00 65.43 C ATOM 1120 C ASN A 614 -15.077 -22.122 17.065 1.00 42.35 C ATOM 1121 O ASN A 614 -16.111 -21.491 17.277 1.00 0.41 O ATOM 1122 CB ASN A 614 -12.987 -20.905 17.596 1.00 73.12 C ATOM 1123 CG ASN A 614 -11.926 -20.605 18.656 1.00 14.05 C ATOM 1124 OD1 ASN A 614 -10.784 -20.137 18.162 1.00 33.45 O flip ATOM 1125 ND2 ASN A 614 -12.131 -20.786 19.845 1.00 51.23 N flip ATOM 0 H ASN A 614 -12.272 -23.288 17.622 1.00 22.02 H new ATOM 0 HA ASN A 614 -14.254 -21.848 19.059 1.00 65.43 H new ATOM 0 HB2 ASN A 614 -12.502 -21.173 16.657 1.00 73.12 H new ATOM 0 HB3 ASN A 614 -13.579 -20.010 17.405 1.00 73.12 H new ATOM 0 HD21 ASN A 614 -13.032 -21.148 20.158 1.00 51.23 H new ATOM 0 HD22 ASN A 614 -11.402 -20.575 20.526 1.00 51.23 H new ATOM 1132 N CYS A 615 -14.876 -22.901 16.012 1.00 51.21 N ATOM 1133 CA CYS A 615 -15.904 -23.069 14.998 1.00 4.23 C ATOM 1134 C CYS A 615 -16.098 -24.567 14.755 1.00 12.22 C ATOM 1135 O CYS A 615 -17.093 -25.146 15.189 1.00 11.50 O ATOM 1136 CB CYS A 615 -15.554 -22.322 13.709 1.00 32.14 C ATOM 1137 SG CYS A 615 -14.454 -20.877 13.934 1.00 65.52 S ATOM 0 H CYS A 615 -14.017 -23.423 15.839 1.00 51.21 H new ATOM 0 HA CYS A 615 -16.840 -22.635 15.349 1.00 4.23 H new ATOM 0 HB2 CYS A 615 -15.078 -23.019 13.019 1.00 32.14 H new ATOM 0 HB3 CYS A 615 -16.478 -21.988 13.237 1.00 32.14 H new ATOM 0 HG CYS A 615 -13.743 -21.036 15.011 1.00 65.52 H new ATOM 1142 N GLY A 616 -15.132 -25.152 14.062 1.00 12.25 N ATOM 1143 CA GLY A 616 -15.185 -26.571 13.756 1.00 22.35 C ATOM 1144 C GLY A 616 -14.453 -26.878 12.448 1.00 3.34 C ATOM 1145 O GLY A 616 -14.079 -28.022 12.195 1.00 33.12 O ATOM 0 H GLY A 616 -14.308 -24.669 13.704 1.00 12.25 H new ATOM 0 HA2 GLY A 616 -14.735 -27.139 14.570 1.00 22.35 H new ATOM 0 HA3 GLY A 616 -16.224 -26.891 13.679 1.00 22.35 H new ATOM 1149 N GLU A 617 -14.269 -25.835 11.652 1.00 73.02 N ATOM 1150 CA GLU A 617 -13.589 -25.978 10.376 1.00 25.41 C ATOM 1151 C GLU A 617 -12.365 -26.885 10.526 1.00 0.43 C ATOM 1152 O GLU A 617 -11.333 -26.460 11.044 1.00 13.22 O ATOM 1153 CB GLU A 617 -13.194 -24.613 9.809 1.00 25.40 C ATOM 1154 CG GLU A 617 -12.683 -24.743 8.372 1.00 33.35 C ATOM 1155 CD GLU A 617 -13.847 -24.817 7.382 1.00 51.52 C ATOM 1156 OE1 GLU A 617 -14.636 -23.865 7.281 1.00 32.31 O ATOM 1157 OE2 GLU A 617 -13.915 -25.910 6.701 1.00 53.13 O ATOM 0 H GLU A 617 -14.579 -24.887 11.866 1.00 73.02 H new ATOM 0 HA GLU A 617 -14.277 -26.442 9.670 1.00 25.41 H new ATOM 0 HB2 GLU A 617 -14.053 -23.942 9.834 1.00 25.40 H new ATOM 0 HB3 GLU A 617 -12.422 -24.165 10.434 1.00 25.40 H new ATOM 0 HG2 GLU A 617 -12.048 -23.891 8.129 1.00 33.35 H new ATOM 0 HG3 GLU A 617 -12.066 -25.637 8.281 1.00 33.35 H new ATOM 1165 N VAL A 618 -12.520 -28.116 10.064 1.00 74.51 N ATOM 1166 CA VAL A 618 -11.441 -29.086 10.140 1.00 30.33 C ATOM 1167 C VAL A 618 -10.156 -28.457 9.598 1.00 12.33 C ATOM 1168 O VAL A 618 -10.182 -27.759 8.585 1.00 22.43 O ATOM 1169 CB VAL A 618 -11.836 -30.368 9.404 1.00 42.25 C ATOM 1170 CG1 VAL A 618 -10.605 -31.220 9.088 1.00 40.13 C ATOM 1171 CG2 VAL A 618 -12.865 -31.167 10.206 1.00 42.31 C ATOM 0 H VAL A 618 -13.377 -28.465 9.635 1.00 74.51 H new ATOM 0 HA VAL A 618 -11.253 -29.367 11.176 1.00 30.33 H new ATOM 0 HB VAL A 618 -12.298 -30.082 8.459 1.00 42.25 H new ATOM 0 HG11 VAL A 618 -10.914 -32.125 8.565 1.00 40.13 H new ATOM 0 HG12 VAL A 618 -9.921 -30.652 8.457 1.00 40.13 H new ATOM 0 HG13 VAL A 618 -10.102 -31.491 10.016 1.00 40.13 H new ATOM 0 HG21 VAL A 618 -13.128 -32.073 9.660 1.00 42.31 H new ATOM 0 HG22 VAL A 618 -12.442 -31.437 11.174 1.00 42.31 H new ATOM 0 HG23 VAL A 618 -13.759 -30.562 10.356 1.00 42.31 H new ATOM 1181 N TRP A 619 -9.063 -28.725 10.297 1.00 31.20 N ATOM 1182 CA TRP A 619 -7.771 -28.194 9.899 1.00 43.34 C ATOM 1183 C TRP A 619 -7.000 -29.308 9.187 1.00 55.43 C ATOM 1184 O TRP A 619 -6.278 -29.051 8.225 1.00 41.11 O ATOM 1185 CB TRP A 619 -7.019 -27.622 11.102 1.00 43.52 C ATOM 1186 CG TRP A 619 -7.618 -26.326 11.652 1.00 53.22 C ATOM 1187 CD1 TRP A 619 -8.497 -25.506 11.058 1.00 24.11 C ATOM 1188 CD2 TRP A 619 -7.346 -25.731 12.938 1.00 13.41 C ATOM 1189 NE1 TRP A 619 -8.809 -24.430 11.864 1.00 32.42 N ATOM 1190 CE2 TRP A 619 -8.088 -24.571 13.044 1.00 65.52 C ATOM 1191 CE3 TRP A 619 -6.502 -26.158 13.978 1.00 40.20 C ATOM 1192 CZ2 TRP A 619 -8.059 -23.744 14.172 1.00 11.45 C ATOM 1193 CZ3 TRP A 619 -6.485 -25.319 15.099 1.00 23.31 C ATOM 1194 CH2 TRP A 619 -7.225 -24.149 15.221 1.00 63.10 C ATOM 0 H TRP A 619 -9.046 -29.303 11.137 1.00 31.20 H new ATOM 0 HA TRP A 619 -7.894 -27.359 9.209 1.00 43.34 H new ATOM 0 HB2 TRP A 619 -7.003 -28.369 11.896 1.00 43.52 H new ATOM 0 HB3 TRP A 619 -5.983 -27.439 10.816 1.00 43.52 H new ATOM 0 HD1 TRP A 619 -8.909 -25.667 10.073 1.00 24.11 H new ATOM 0 HE1 TRP A 619 -9.451 -23.671 11.636 1.00 32.42 H new ATOM 0 HE3 TRP A 619 -5.913 -27.061 13.917 1.00 40.20 H new ATOM 0 HZ2 TRP A 619 -8.649 -22.841 14.230 1.00 11.45 H new ATOM 0 HZ3 TRP A 619 -5.852 -25.601 15.927 1.00 23.31 H new ATOM 0 HH2 TRP A 619 -7.157 -23.555 16.121 1.00 63.10 H new ATOM 1205 N GLY A 620 -7.181 -30.521 9.687 1.00 71.22 N ATOM 1206 CA GLY A 620 -6.512 -31.675 9.111 1.00 71.23 C ATOM 1207 C GLY A 620 -6.379 -32.801 10.138 1.00 74.42 C ATOM 1208 O GLY A 620 -7.381 -33.347 10.600 1.00 43.54 O ATOM 0 H GLY A 620 -7.781 -30.730 10.485 1.00 71.22 H new ATOM 0 HA2 GLY A 620 -7.073 -32.031 8.247 1.00 71.23 H new ATOM 0 HA3 GLY A 620 -5.524 -31.386 8.753 1.00 71.23 H new ATOM 1212 N LEU A 621 -5.135 -33.117 10.465 1.00 1.34 N ATOM 1213 CA LEU A 621 -4.858 -34.168 11.429 1.00 32.15 C ATOM 1214 C LEU A 621 -3.587 -33.820 12.207 1.00 54.41 C ATOM 1215 O LEU A 621 -2.735 -33.084 11.712 1.00 24.20 O ATOM 1216 CB LEU A 621 -4.800 -35.530 10.735 1.00 72.11 C ATOM 1217 CG LEU A 621 -3.428 -35.957 10.210 1.00 71.41 C ATOM 1218 CD1 LEU A 621 -2.857 -34.910 9.253 1.00 44.42 C ATOM 1219 CD2 LEU A 621 -2.470 -36.263 11.363 1.00 15.14 C ATOM 0 H LEU A 621 -4.307 -32.663 10.079 1.00 1.34 H new ATOM 0 HA LEU A 621 -5.667 -34.240 12.156 1.00 32.15 H new ATOM 0 HB2 LEU A 621 -5.151 -36.288 11.436 1.00 72.11 H new ATOM 0 HB3 LEU A 621 -5.500 -35.520 9.899 1.00 72.11 H new ATOM 0 HG LEU A 621 -3.552 -36.879 9.642 1.00 71.41 H new ATOM 0 HD11 LEU A 621 -1.881 -35.238 8.895 1.00 44.42 H new ATOM 0 HD12 LEU A 621 -3.532 -34.785 8.406 1.00 44.42 H new ATOM 0 HD13 LEU A 621 -2.750 -33.959 9.775 1.00 44.42 H new ATOM 0 HD21 LEU A 621 -1.502 -36.564 10.962 1.00 15.14 H new ATOM 0 HD22 LEU A 621 -2.346 -35.373 11.979 1.00 15.14 H new ATOM 0 HD23 LEU A 621 -2.878 -37.071 11.970 1.00 15.14 H new ATOM 1231 N GLN A 622 -3.501 -34.364 13.412 1.00 60.34 N ATOM 1232 CA GLN A 622 -2.349 -34.120 14.262 1.00 24.24 C ATOM 1233 C GLN A 622 -1.218 -35.092 13.917 1.00 53.33 C ATOM 1234 O GLN A 622 -1.452 -36.288 13.754 1.00 23.40 O ATOM 1235 CB GLN A 622 -2.727 -34.223 15.741 1.00 31.41 C ATOM 1236 CG GLN A 622 -1.962 -33.194 16.576 1.00 33.20 C ATOM 1237 CD GLN A 622 -1.698 -33.721 17.988 1.00 11.10 C ATOM 1238 OE1 GLN A 622 -0.583 -34.052 18.356 1.00 32.43 O ATOM 1239 NE2 GLN A 622 -2.783 -33.779 18.755 1.00 22.25 N ATOM 0 H GLN A 622 -4.211 -34.973 13.820 1.00 60.34 H new ATOM 0 HA GLN A 622 -1.997 -33.104 14.080 1.00 24.24 H new ATOM 0 HB2 GLN A 622 -3.799 -34.066 15.858 1.00 31.41 H new ATOM 0 HB3 GLN A 622 -2.510 -35.227 16.106 1.00 31.41 H new ATOM 0 HG2 GLN A 622 -1.016 -32.957 16.090 1.00 33.20 H new ATOM 0 HG3 GLN A 622 -2.533 -32.267 16.631 1.00 33.20 H new ATOM 0 HE21 GLN A 622 -3.687 -33.486 18.383 1.00 22.25 H new ATOM 0 HE22 GLN A 622 -2.712 -34.117 19.715 1.00 22.25 H new ATOM 1248 N MET A 623 -0.018 -34.541 13.815 1.00 42.44 N ATOM 1249 CA MET A 623 1.149 -35.344 13.491 1.00 3.42 C ATOM 1250 C MET A 623 2.161 -35.328 14.639 1.00 41.52 C ATOM 1251 O MET A 623 2.360 -34.298 15.281 1.00 11.35 O ATOM 1252 CB MET A 623 1.808 -34.799 12.222 1.00 31.31 C ATOM 1253 CG MET A 623 1.149 -35.382 10.970 1.00 45.33 C ATOM 1254 SD MET A 623 1.817 -37.001 10.626 1.00 31.23 S ATOM 1255 CE MET A 623 1.179 -37.257 8.979 1.00 53.51 C ATOM 0 H MET A 623 0.172 -33.548 13.951 1.00 42.44 H new ATOM 0 HA MET A 623 0.826 -36.372 13.330 1.00 3.42 H new ATOM 0 HB2 MET A 623 1.731 -33.712 12.206 1.00 31.31 H new ATOM 0 HB3 MET A 623 2.870 -35.043 12.226 1.00 31.31 H new ATOM 0 HG2 MET A 623 0.071 -35.448 11.114 1.00 45.33 H new ATOM 0 HG3 MET A 623 1.318 -34.722 10.119 1.00 45.33 H new ATOM 0 HE1 MET A 623 1.838 -37.933 8.434 1.00 53.51 H new ATOM 0 HE2 MET A 623 0.182 -37.693 9.039 1.00 53.51 H new ATOM 0 HE3 MET A 623 1.127 -36.302 8.456 1.00 53.51 H new ATOM 1265 N ILE A 624 2.774 -36.481 14.861 1.00 11.13 N ATOM 1266 CA ILE A 624 3.760 -36.612 15.920 1.00 22.42 C ATOM 1267 C ILE A 624 5.144 -36.817 15.300 1.00 52.01 C ATOM 1268 O ILE A 624 5.276 -37.481 14.273 1.00 55.33 O ATOM 1269 CB ILE A 624 3.354 -37.718 16.896 1.00 22.43 C ATOM 1270 CG1 ILE A 624 1.938 -37.488 17.428 1.00 41.11 C ATOM 1271 CG2 ILE A 624 4.376 -37.854 18.027 1.00 71.00 C ATOM 1272 CD1 ILE A 624 0.894 -38.093 16.487 1.00 0.22 C ATOM 0 H ILE A 624 2.607 -37.333 14.326 1.00 11.13 H new ATOM 0 HA ILE A 624 3.807 -35.698 16.512 1.00 22.42 H new ATOM 0 HB ILE A 624 3.345 -38.664 16.355 1.00 22.43 H new ATOM 0 HG12 ILE A 624 1.841 -37.933 18.419 1.00 41.11 H new ATOM 0 HG13 ILE A 624 1.757 -36.419 17.539 1.00 41.11 H new ATOM 0 HG21 ILE A 624 4.063 -38.647 18.706 1.00 71.00 H new ATOM 0 HG22 ILE A 624 5.352 -38.099 17.608 1.00 71.00 H new ATOM 0 HG23 ILE A 624 4.442 -36.913 18.573 1.00 71.00 H new ATOM 0 HD11 ILE A 624 -0.104 -37.916 16.888 1.00 0.22 H new ATOM 0 HD12 ILE A 624 0.978 -37.629 15.504 1.00 0.22 H new ATOM 0 HD13 ILE A 624 1.063 -39.166 16.397 1.00 0.22 H new ATOM 1284 N TYR A 625 6.140 -36.234 15.950 1.00 65.40 N ATOM 1285 CA TYR A 625 7.509 -36.344 15.475 1.00 23.41 C ATOM 1286 C TYR A 625 8.493 -36.397 16.646 1.00 62.23 C ATOM 1287 O TYR A 625 8.754 -35.381 17.288 1.00 20.33 O ATOM 1288 CB TYR A 625 7.775 -35.079 14.658 1.00 41.23 C ATOM 1289 CG TYR A 625 9.256 -34.709 14.546 1.00 34.44 C ATOM 1290 CD1 TYR A 625 10.209 -35.702 14.445 1.00 31.44 C ATOM 1291 CD2 TYR A 625 9.638 -33.383 14.547 1.00 70.41 C ATOM 1292 CE1 TYR A 625 11.602 -35.355 14.341 1.00 44.24 C ATOM 1293 CE2 TYR A 625 11.031 -33.036 14.442 1.00 4.21 C ATOM 1294 CZ TYR A 625 11.945 -34.039 14.344 1.00 11.41 C ATOM 1295 OH TYR A 625 13.261 -33.710 14.245 1.00 31.31 O ATOM 0 H TYR A 625 6.027 -35.684 16.802 1.00 65.40 H new ATOM 0 HA TYR A 625 7.640 -37.254 14.890 1.00 23.41 H new ATOM 0 HB2 TYR A 625 7.368 -35.214 13.656 1.00 41.23 H new ATOM 0 HB3 TYR A 625 7.237 -34.247 15.111 1.00 41.23 H new ATOM 0 HD1 TYR A 625 9.910 -36.740 14.444 1.00 31.44 H new ATOM 0 HD2 TYR A 625 8.892 -32.606 14.627 1.00 70.41 H new ATOM 0 HE1 TYR A 625 12.358 -36.122 14.262 1.00 44.24 H new ATOM 0 HE2 TYR A 625 11.344 -32.002 14.441 1.00 4.21 H new ATOM 0 HH TYR A 625 13.356 -32.735 14.259 1.00 31.31 H new ATOM 1305 N LYS A 626 9.013 -37.592 16.887 1.00 13.11 N ATOM 1306 CA LYS A 626 9.962 -37.790 17.969 1.00 61.50 C ATOM 1307 C LYS A 626 9.277 -37.493 19.304 1.00 12.31 C ATOM 1308 O LYS A 626 9.931 -37.093 20.266 1.00 52.50 O ATOM 1309 CB LYS A 626 11.228 -36.965 17.730 1.00 54.44 C ATOM 1310 CG LYS A 626 12.283 -37.783 16.983 1.00 41.33 C ATOM 1311 CD LYS A 626 13.063 -38.680 17.945 1.00 22.33 C ATOM 1312 CE LYS A 626 12.309 -39.985 18.211 1.00 45.10 C ATOM 1313 NZ LYS A 626 13.256 -41.071 18.549 1.00 4.14 N ATOM 0 H LYS A 626 8.795 -38.432 16.352 1.00 13.11 H new ATOM 0 HA LYS A 626 10.289 -38.829 18.003 1.00 61.50 H new ATOM 0 HB2 LYS A 626 10.981 -36.072 17.156 1.00 54.44 H new ATOM 0 HB3 LYS A 626 11.633 -36.628 18.685 1.00 54.44 H new ATOM 0 HG2 LYS A 626 11.801 -38.394 16.220 1.00 41.33 H new ATOM 0 HG3 LYS A 626 12.970 -37.112 16.467 1.00 41.33 H new ATOM 0 HD2 LYS A 626 14.045 -38.902 17.526 1.00 22.33 H new ATOM 0 HD3 LYS A 626 13.229 -38.154 18.885 1.00 22.33 H new ATOM 0 HE2 LYS A 626 11.602 -39.843 19.029 1.00 45.10 H new ATOM 0 HE3 LYS A 626 11.728 -40.262 17.331 1.00 45.10 H new ATOM 0 HZ1 LYS A 626 12.728 -41.949 18.726 1.00 4.14 H new ATOM 0 HZ2 LYS A 626 13.914 -41.217 17.757 1.00 4.14 H new ATOM 0 HZ3 LYS A 626 13.792 -40.811 19.401 1.00 4.14 H new ATOM 1326 N SER A 627 7.968 -37.699 19.320 1.00 22.42 N ATOM 1327 CA SER A 627 7.187 -37.458 20.521 1.00 21.15 C ATOM 1328 C SER A 627 6.869 -35.967 20.648 1.00 3.22 C ATOM 1329 O SER A 627 6.918 -35.409 21.743 1.00 2.13 O ATOM 1330 CB SER A 627 7.926 -37.951 21.767 1.00 21.01 C ATOM 1331 OG SER A 627 8.747 -36.936 22.337 1.00 4.45 O ATOM 0 H SER A 627 7.429 -38.030 18.520 1.00 22.42 H new ATOM 0 HA SER A 627 6.254 -38.016 20.440 1.00 21.15 H new ATOM 0 HB2 SER A 627 7.202 -38.290 22.508 1.00 21.01 H new ATOM 0 HB3 SER A 627 8.542 -38.812 21.506 1.00 21.01 H new ATOM 0 HG SER A 627 9.283 -36.515 21.633 1.00 4.45 H new ATOM 1337 N VAL A 628 6.551 -35.364 19.512 1.00 13.23 N ATOM 1338 CA VAL A 628 6.225 -33.948 19.482 1.00 31.14 C ATOM 1339 C VAL A 628 4.855 -33.758 18.827 1.00 23.14 C ATOM 1340 O VAL A 628 4.681 -34.056 17.647 1.00 42.13 O ATOM 1341 CB VAL A 628 7.338 -33.170 18.778 1.00 52.25 C ATOM 1342 CG1 VAL A 628 6.911 -31.726 18.508 1.00 53.34 C ATOM 1343 CG2 VAL A 628 8.636 -33.216 19.586 1.00 12.21 C ATOM 0 H VAL A 628 6.512 -35.830 18.605 1.00 13.23 H new ATOM 0 HA VAL A 628 6.159 -33.549 20.494 1.00 31.14 H new ATOM 0 HB VAL A 628 7.525 -33.649 17.817 1.00 52.25 H new ATOM 0 HG11 VAL A 628 7.720 -31.195 18.007 1.00 53.34 H new ATOM 0 HG12 VAL A 628 6.026 -31.721 17.872 1.00 53.34 H new ATOM 0 HG13 VAL A 628 6.683 -31.232 19.452 1.00 53.34 H new ATOM 0 HG21 VAL A 628 9.410 -32.655 19.063 1.00 12.21 H new ATOM 0 HG22 VAL A 628 8.469 -32.774 20.568 1.00 12.21 H new ATOM 0 HG23 VAL A 628 8.955 -34.252 19.704 1.00 12.21 H new ATOM 1353 N LYS A 629 3.918 -33.263 19.623 1.00 62.44 N ATOM 1354 CA LYS A 629 2.569 -33.030 19.135 1.00 64.21 C ATOM 1355 C LYS A 629 2.572 -31.818 18.202 1.00 53.32 C ATOM 1356 O LYS A 629 2.564 -30.677 18.661 1.00 52.40 O ATOM 1357 CB LYS A 629 1.591 -32.904 20.304 1.00 21.35 C ATOM 1358 CG LYS A 629 1.906 -33.930 21.396 1.00 40.25 C ATOM 1359 CD LYS A 629 2.093 -35.326 20.798 1.00 3.22 C ATOM 1360 CE LYS A 629 0.752 -35.921 20.363 1.00 4.53 C ATOM 1361 NZ LYS A 629 0.760 -37.391 20.528 1.00 31.31 N ATOM 0 H LYS A 629 4.066 -33.017 20.602 1.00 62.44 H new ATOM 0 HA LYS A 629 2.222 -33.882 18.550 1.00 64.21 H new ATOM 0 HB2 LYS A 629 1.643 -31.898 20.720 1.00 21.35 H new ATOM 0 HB3 LYS A 629 0.571 -33.049 19.947 1.00 21.35 H new ATOM 0 HG2 LYS A 629 2.810 -33.634 21.928 1.00 40.25 H new ATOM 0 HG3 LYS A 629 1.098 -33.949 22.127 1.00 40.25 H new ATOM 0 HD2 LYS A 629 2.765 -35.272 19.942 1.00 3.22 H new ATOM 0 HD3 LYS A 629 2.564 -35.980 21.532 1.00 3.22 H new ATOM 0 HE2 LYS A 629 -0.054 -35.487 20.955 1.00 4.53 H new ATOM 0 HE3 LYS A 629 0.555 -35.667 19.321 1.00 4.53 H new ATOM 0 HZ1 LYS A 629 0.163 -37.826 19.796 1.00 31.31 H new ATOM 0 HZ2 LYS A 629 1.734 -37.745 20.437 1.00 31.31 H new ATOM 0 HZ3 LYS A 629 0.389 -37.637 21.468 1.00 31.31 H new ATOM 1374 N LEU A 630 2.582 -32.106 16.909 1.00 65.22 N ATOM 1375 CA LEU A 630 2.586 -31.054 15.907 1.00 11.41 C ATOM 1376 C LEU A 630 1.364 -31.215 15.000 1.00 1.53 C ATOM 1377 O LEU A 630 1.278 -32.172 14.232 1.00 2.54 O ATOM 1378 CB LEU A 630 3.916 -31.038 15.150 1.00 34.44 C ATOM 1379 CG LEU A 630 5.177 -30.963 16.013 1.00 42.53 C ATOM 1380 CD1 LEU A 630 6.433 -30.884 15.142 1.00 74.41 C ATOM 1381 CD2 LEU A 630 5.094 -29.800 17.004 1.00 24.45 C ATOM 0 H LEU A 630 2.587 -33.054 16.532 1.00 65.22 H new ATOM 0 HA LEU A 630 2.505 -30.076 16.382 1.00 11.41 H new ATOM 0 HB2 LEU A 630 3.973 -31.937 14.536 1.00 34.44 H new ATOM 0 HB3 LEU A 630 3.914 -30.186 14.470 1.00 34.44 H new ATOM 0 HG LEU A 630 5.247 -31.881 16.597 1.00 42.53 H new ATOM 0 HD11 LEU A 630 7.315 -30.832 15.780 1.00 74.41 H new ATOM 0 HD12 LEU A 630 6.494 -31.770 14.510 1.00 74.41 H new ATOM 0 HD13 LEU A 630 6.385 -29.994 14.515 1.00 74.41 H new ATOM 0 HD21 LEU A 630 6.003 -29.769 17.605 1.00 24.45 H new ATOM 0 HD22 LEU A 630 4.988 -28.863 16.457 1.00 24.45 H new ATOM 0 HD23 LEU A 630 4.232 -29.939 17.656 1.00 24.45 H new ATOM 1393 N PRO A 631 0.425 -30.238 15.122 1.00 22.35 N ATOM 1394 CA PRO A 631 -0.788 -30.262 14.323 1.00 21.41 C ATOM 1395 C PRO A 631 -0.500 -29.853 12.877 1.00 12.23 C ATOM 1396 O PRO A 631 0.488 -29.172 12.606 1.00 70.50 O ATOM 1397 CB PRO A 631 -1.744 -29.315 15.030 1.00 63.21 C ATOM 1398 CG PRO A 631 -0.880 -28.445 15.928 1.00 42.42 C ATOM 1399 CD PRO A 631 0.493 -29.090 16.021 1.00 2.14 C ATOM 0 HA PRO A 631 -1.222 -31.259 14.246 1.00 21.41 H new ATOM 0 HB2 PRO A 631 -2.295 -28.708 14.312 1.00 63.21 H new ATOM 0 HB3 PRO A 631 -2.481 -29.867 15.613 1.00 63.21 H new ATOM 0 HG2 PRO A 631 -0.801 -27.437 15.521 1.00 42.42 H new ATOM 0 HG3 PRO A 631 -1.328 -28.355 16.918 1.00 42.42 H new ATOM 0 HD2 PRO A 631 1.278 -28.396 15.719 1.00 2.14 H new ATOM 0 HD3 PRO A 631 0.717 -29.399 17.042 1.00 2.14 H new ATOM 1407 N VAL A 632 -1.382 -30.284 11.987 1.00 24.32 N ATOM 1408 CA VAL A 632 -1.235 -29.971 10.576 1.00 42.11 C ATOM 1409 C VAL A 632 -2.495 -29.257 10.083 1.00 42.42 C ATOM 1410 O VAL A 632 -3.498 -29.900 9.779 1.00 54.41 O ATOM 1411 CB VAL A 632 -0.922 -31.244 9.787 1.00 43.11 C ATOM 1412 CG1 VAL A 632 -0.661 -30.925 8.313 1.00 32.44 C ATOM 1413 CG2 VAL A 632 0.261 -31.994 10.403 1.00 12.13 C ATOM 0 H VAL A 632 -2.201 -30.847 12.216 1.00 24.32 H new ATOM 0 HA VAL A 632 -0.395 -29.294 10.421 1.00 42.11 H new ATOM 0 HB VAL A 632 -1.795 -31.894 9.840 1.00 43.11 H new ATOM 0 HG11 VAL A 632 -0.441 -31.847 7.775 1.00 32.44 H new ATOM 0 HG12 VAL A 632 -1.544 -30.454 7.881 1.00 32.44 H new ATOM 0 HG13 VAL A 632 0.188 -30.246 8.232 1.00 32.44 H new ATOM 0 HG21 VAL A 632 0.463 -32.895 9.823 1.00 12.13 H new ATOM 0 HG22 VAL A 632 1.142 -31.353 10.395 1.00 12.13 H new ATOM 0 HG23 VAL A 632 0.022 -32.270 11.430 1.00 12.13 H new ATOM 1423 N LEU A 633 -2.401 -27.937 10.019 1.00 54.43 N ATOM 1424 CA LEU A 633 -3.521 -27.128 9.568 1.00 73.13 C ATOM 1425 C LEU A 633 -3.296 -26.720 8.110 1.00 32.43 C ATOM 1426 O LEU A 633 -2.220 -26.945 7.558 1.00 32.32 O ATOM 1427 CB LEU A 633 -3.741 -25.943 10.511 1.00 60.42 C ATOM 1428 CG LEU A 633 -3.408 -26.188 11.984 1.00 62.11 C ATOM 1429 CD1 LEU A 633 -3.639 -27.652 12.362 1.00 23.34 C ATOM 1430 CD2 LEU A 633 -1.984 -25.730 12.307 1.00 33.15 C ATOM 0 H LEU A 633 -1.567 -27.407 10.272 1.00 54.43 H new ATOM 0 HA LEU A 633 -4.445 -27.706 9.599 1.00 73.13 H new ATOM 0 HB2 LEU A 633 -3.139 -25.106 10.157 1.00 60.42 H new ATOM 0 HB3 LEU A 633 -4.785 -25.637 10.441 1.00 60.42 H new ATOM 0 HG LEU A 633 -4.085 -25.588 12.592 1.00 62.11 H new ATOM 0 HD11 LEU A 633 -3.395 -27.799 13.414 1.00 23.34 H new ATOM 0 HD12 LEU A 633 -4.684 -27.911 12.192 1.00 23.34 H new ATOM 0 HD13 LEU A 633 -3.003 -28.291 11.749 1.00 23.34 H new ATOM 0 HD21 LEU A 633 -1.772 -25.915 13.360 1.00 33.15 H new ATOM 0 HD22 LEU A 633 -1.275 -26.284 11.692 1.00 33.15 H new ATOM 0 HD23 LEU A 633 -1.889 -24.664 12.100 1.00 33.15 H new ATOM 1442 N LYS A 634 -4.329 -26.128 7.529 1.00 43.03 N ATOM 1443 CA LYS A 634 -4.257 -25.687 6.146 1.00 11.21 C ATOM 1444 C LYS A 634 -4.018 -24.176 6.109 1.00 22.11 C ATOM 1445 O LYS A 634 -3.823 -23.549 7.149 1.00 31.22 O ATOM 1446 CB LYS A 634 -5.503 -26.131 5.377 1.00 63.22 C ATOM 1447 CG LYS A 634 -6.109 -27.392 5.996 1.00 22.31 C ATOM 1448 CD LYS A 634 -7.371 -27.820 5.244 1.00 21.14 C ATOM 1449 CE LYS A 634 -8.322 -26.637 5.053 1.00 72.33 C ATOM 1450 NZ LYS A 634 -9.730 -27.084 5.147 1.00 71.00 N ATOM 0 H LYS A 634 -5.220 -25.943 7.990 1.00 43.03 H new ATOM 0 HA LYS A 634 -3.414 -26.156 5.640 1.00 11.21 H new ATOM 0 HB2 LYS A 634 -6.241 -25.329 5.380 1.00 63.22 H new ATOM 0 HB3 LYS A 634 -5.243 -26.321 4.336 1.00 63.22 H new ATOM 0 HG2 LYS A 634 -5.377 -28.200 5.975 1.00 22.31 H new ATOM 0 HG3 LYS A 634 -6.350 -27.208 7.043 1.00 22.31 H new ATOM 0 HD2 LYS A 634 -7.098 -28.232 4.273 1.00 21.14 H new ATOM 0 HD3 LYS A 634 -7.877 -28.612 5.796 1.00 21.14 H new ATOM 0 HE2 LYS A 634 -8.124 -25.878 5.810 1.00 72.33 H new ATOM 0 HE3 LYS A 634 -8.145 -26.174 4.082 1.00 72.33 H new ATOM 0 HZ1 LYS A 634 -10.362 -26.269 5.015 1.00 71.00 H new ATOM 0 HZ2 LYS A 634 -9.919 -27.792 4.409 1.00 71.00 H new ATOM 0 HZ3 LYS A 634 -9.899 -27.505 6.083 1.00 71.00 H new ATOM 1463 N VAL A 635 -4.040 -23.635 4.900 1.00 71.22 N ATOM 1464 CA VAL A 635 -3.828 -22.210 4.714 1.00 50.25 C ATOM 1465 C VAL A 635 -5.158 -21.543 4.355 1.00 64.44 C ATOM 1466 O VAL A 635 -5.336 -20.347 4.576 1.00 10.32 O ATOM 1467 CB VAL A 635 -2.739 -21.976 3.664 1.00 14.52 C ATOM 1468 CG1 VAL A 635 -3.153 -22.550 2.308 1.00 43.23 C ATOM 1469 CG2 VAL A 635 -2.400 -20.488 3.550 1.00 64.15 C ATOM 0 H VAL A 635 -4.201 -24.158 4.039 1.00 71.22 H new ATOM 0 HA VAL A 635 -3.474 -21.753 5.638 1.00 50.25 H new ATOM 0 HB VAL A 635 -1.841 -22.501 3.989 1.00 14.52 H new ATOM 0 HG11 VAL A 635 -2.362 -22.370 1.580 1.00 43.23 H new ATOM 0 HG12 VAL A 635 -3.322 -23.623 2.403 1.00 43.23 H new ATOM 0 HG13 VAL A 635 -4.071 -22.067 1.973 1.00 43.23 H new ATOM 0 HG21 VAL A 635 -1.624 -20.348 2.798 1.00 64.15 H new ATOM 0 HG22 VAL A 635 -3.292 -19.933 3.259 1.00 64.15 H new ATOM 0 HG23 VAL A 635 -2.043 -20.121 4.512 1.00 64.15 H new ATOM 1479 N ARG A 636 -6.057 -22.347 3.806 1.00 22.23 N ATOM 1480 CA ARG A 636 -7.365 -21.850 3.415 1.00 61.35 C ATOM 1481 C ARG A 636 -8.315 -21.852 4.614 1.00 24.31 C ATOM 1482 O ARG A 636 -9.443 -21.372 4.518 1.00 70.43 O ATOM 1483 CB ARG A 636 -7.966 -22.704 2.296 1.00 43.43 C ATOM 1484 CG ARG A 636 -8.282 -24.116 2.793 1.00 50.42 C ATOM 1485 CD ARG A 636 -9.229 -24.836 1.831 1.00 64.44 C ATOM 1486 NE ARG A 636 -8.994 -26.296 1.888 1.00 23.44 N ATOM 1487 CZ ARG A 636 -9.926 -27.226 1.589 1.00 52.50 C ATOM 1488 NH1 ARG A 636 -11.167 -26.853 1.208 1.00 65.25 N ATOM 1489 NH2 ARG A 636 -9.607 -28.503 1.675 1.00 71.51 N ATOM 0 H ARG A 636 -5.905 -23.339 3.623 1.00 22.23 H new ATOM 0 HA ARG A 636 -7.237 -20.831 3.051 1.00 61.35 H new ATOM 0 HB2 ARG A 636 -8.876 -22.234 1.924 1.00 43.43 H new ATOM 0 HB3 ARG A 636 -7.269 -22.757 1.460 1.00 43.43 H new ATOM 0 HG2 ARG A 636 -7.358 -24.685 2.894 1.00 50.42 H new ATOM 0 HG3 ARG A 636 -8.734 -24.064 3.783 1.00 50.42 H new ATOM 0 HD2 ARG A 636 -10.264 -24.615 2.093 1.00 64.44 H new ATOM 0 HD3 ARG A 636 -9.073 -24.474 0.815 1.00 64.44 H new ATOM 0 HE ARG A 636 -8.069 -26.620 2.171 1.00 23.44 H new ATOM 0 HH11 ARG A 636 -11.405 -25.863 1.145 1.00 65.25 H new ATOM 0 HH12 ARG A 636 -11.866 -27.561 0.984 1.00 65.25 H new ATOM 0 HH21 ARG A 636 -8.668 -28.776 1.964 1.00 71.51 H new ATOM 0 HH22 ARG A 636 -10.300 -29.218 1.453 1.00 71.51 H new ATOM 1502 N SER A 637 -7.823 -22.398 5.717 1.00 44.51 N ATOM 1503 CA SER A 637 -8.613 -22.468 6.934 1.00 74.21 C ATOM 1504 C SER A 637 -8.008 -21.558 8.005 1.00 72.42 C ATOM 1505 O SER A 637 -8.669 -21.224 8.987 1.00 74.52 O ATOM 1506 CB SER A 637 -8.705 -23.906 7.449 1.00 64.14 C ATOM 1507 OG SER A 637 -9.343 -23.978 8.720 1.00 34.34 O ATOM 0 H SER A 637 -6.887 -22.796 5.793 1.00 44.51 H new ATOM 0 HA SER A 637 -9.623 -22.127 6.706 1.00 74.21 H new ATOM 0 HB2 SER A 637 -9.257 -24.513 6.732 1.00 64.14 H new ATOM 0 HB3 SER A 637 -7.703 -24.330 7.522 1.00 64.14 H new ATOM 0 HG SER A 637 -8.670 -24.134 9.415 1.00 34.34 H new ATOM 1513 N MET A 638 -6.758 -21.183 7.779 1.00 23.22 N ATOM 1514 CA MET A 638 -6.056 -20.319 8.712 1.00 1.55 C ATOM 1515 C MET A 638 -5.949 -18.894 8.166 1.00 50.53 C ATOM 1516 O MET A 638 -5.457 -18.685 7.058 1.00 73.34 O ATOM 1517 CB MET A 638 -4.653 -20.874 8.967 1.00 33.15 C ATOM 1518 CG MET A 638 -4.712 -22.133 9.835 1.00 22.11 C ATOM 1519 SD MET A 638 -5.246 -21.713 11.485 1.00 14.14 S ATOM 1520 CE MET A 638 -6.856 -22.484 11.495 1.00 14.34 C ATOM 0 H MET A 638 -6.213 -21.462 6.963 1.00 23.22 H new ATOM 0 HA MET A 638 -6.620 -20.290 9.644 1.00 1.55 H new ATOM 0 HB2 MET A 638 -4.171 -21.105 8.017 1.00 33.15 H new ATOM 0 HB3 MET A 638 -4.042 -20.117 9.459 1.00 33.15 H new ATOM 0 HG2 MET A 638 -5.399 -22.856 9.395 1.00 22.11 H new ATOM 0 HG3 MET A 638 -3.731 -22.606 9.871 1.00 22.11 H new ATOM 0 HE1 MET A 638 -7.501 -21.969 12.207 1.00 14.34 H new ATOM 0 HE2 MET A 638 -7.294 -22.424 10.499 1.00 14.34 H new ATOM 0 HE3 MET A 638 -6.757 -23.530 11.785 1.00 14.34 H new ATOM 1530 N LEU A 639 -6.418 -17.949 8.968 1.00 23.22 N ATOM 1531 CA LEU A 639 -6.381 -16.550 8.579 1.00 50.14 C ATOM 1532 C LEU A 639 -5.050 -15.937 9.018 1.00 23.31 C ATOM 1533 O LEU A 639 -4.469 -16.357 10.018 1.00 70.22 O ATOM 1534 CB LEU A 639 -7.606 -15.811 9.120 1.00 55.22 C ATOM 1535 CG LEU A 639 -7.582 -14.286 8.989 1.00 32.53 C ATOM 1536 CD1 LEU A 639 -7.314 -13.864 7.544 1.00 63.25 C ATOM 1537 CD2 LEU A 639 -8.870 -13.669 9.537 1.00 53.30 C ATOM 0 H LEU A 639 -6.826 -18.125 9.886 1.00 23.22 H new ATOM 0 HA LEU A 639 -6.433 -16.455 7.494 1.00 50.14 H new ATOM 0 HB2 LEU A 639 -8.489 -16.186 8.603 1.00 55.22 H new ATOM 0 HB3 LEU A 639 -7.722 -16.063 10.174 1.00 55.22 H new ATOM 0 HG LEU A 639 -6.759 -13.904 9.593 1.00 32.53 H new ATOM 0 HD11 LEU A 639 -7.302 -12.776 7.479 1.00 63.25 H new ATOM 0 HD12 LEU A 639 -6.349 -14.257 7.223 1.00 63.25 H new ATOM 0 HD13 LEU A 639 -8.099 -14.258 6.898 1.00 63.25 H new ATOM 0 HD21 LEU A 639 -8.827 -12.585 9.432 1.00 53.30 H new ATOM 0 HD22 LEU A 639 -9.724 -14.054 8.980 1.00 53.30 H new ATOM 0 HD23 LEU A 639 -8.978 -13.928 10.590 1.00 53.30 H new ATOM 1549 N LEU A 640 -4.605 -14.954 8.249 1.00 21.14 N ATOM 1550 CA LEU A 640 -3.353 -14.280 8.547 1.00 43.51 C ATOM 1551 C LEU A 640 -3.621 -12.789 8.766 1.00 62.25 C ATOM 1552 O LEU A 640 -3.821 -12.044 7.808 1.00 41.32 O ATOM 1553 CB LEU A 640 -2.318 -14.565 7.456 1.00 12.23 C ATOM 1554 CG LEU A 640 -2.264 -16.005 6.943 1.00 34.21 C ATOM 1555 CD1 LEU A 640 -1.415 -16.104 5.674 1.00 12.33 C ATOM 1556 CD2 LEU A 640 -1.776 -16.958 8.035 1.00 24.54 C ATOM 0 H LEU A 640 -5.089 -14.608 7.420 1.00 21.14 H new ATOM 0 HA LEU A 640 -2.923 -14.666 9.471 1.00 43.51 H new ATOM 0 HB2 LEU A 640 -2.519 -13.907 6.611 1.00 12.23 H new ATOM 0 HB3 LEU A 640 -1.333 -14.300 7.839 1.00 12.23 H new ATOM 0 HG LEU A 640 -3.276 -16.311 6.678 1.00 34.21 H new ATOM 0 HD11 LEU A 640 -1.393 -17.138 5.331 1.00 12.33 H new ATOM 0 HD12 LEU A 640 -1.847 -15.473 4.897 1.00 12.33 H new ATOM 0 HD13 LEU A 640 -0.399 -15.772 5.889 1.00 12.33 H new ATOM 0 HD21 LEU A 640 -1.747 -17.975 7.644 1.00 24.54 H new ATOM 0 HD22 LEU A 640 -0.776 -16.664 8.355 1.00 24.54 H new ATOM 0 HD23 LEU A 640 -2.456 -16.916 8.886 1.00 24.54 H new ATOM 1568 N GLU A 641 -3.616 -12.399 10.032 1.00 73.32 N ATOM 1569 CA GLU A 641 -3.857 -11.011 10.388 1.00 25.44 C ATOM 1570 C GLU A 641 -2.631 -10.158 10.055 1.00 11.02 C ATOM 1571 O GLU A 641 -1.502 -10.542 10.357 1.00 12.11 O ATOM 1572 CB GLU A 641 -4.229 -10.882 11.867 1.00 55.35 C ATOM 1573 CG GLU A 641 -5.748 -10.846 12.048 1.00 53.33 C ATOM 1574 CD GLU A 641 -6.122 -10.753 13.529 1.00 62.04 C ATOM 1575 OE1 GLU A 641 -7.304 -10.880 13.879 1.00 74.42 O ATOM 1576 OE2 GLU A 641 -5.132 -10.542 14.328 1.00 1.43 O ATOM 0 H GLU A 641 -3.449 -13.020 10.824 1.00 73.32 H new ATOM 0 HA GLU A 641 -4.700 -10.646 9.801 1.00 25.44 H new ATOM 0 HB2 GLU A 641 -3.812 -11.720 12.425 1.00 55.35 H new ATOM 0 HB3 GLU A 641 -3.788 -9.974 12.279 1.00 55.35 H new ATOM 0 HG2 GLU A 641 -6.162 -9.993 11.511 1.00 53.33 H new ATOM 0 HG3 GLU A 641 -6.191 -11.742 11.613 1.00 53.33 H new ATOM 1584 N THR A 642 -2.895 -9.016 9.437 1.00 32.13 N ATOM 1585 CA THR A 642 -1.828 -8.105 9.060 1.00 61.21 C ATOM 1586 C THR A 642 -2.269 -6.654 9.262 1.00 22.23 C ATOM 1587 O THR A 642 -3.463 -6.365 9.309 1.00 34.45 O ATOM 1588 CB THR A 642 -1.423 -8.422 7.619 1.00 55.03 C ATOM 1589 OG1 THR A 642 -2.435 -7.801 6.830 1.00 62.21 O ATOM 1590 CG2 THR A 642 -1.554 -9.910 7.288 1.00 63.14 C ATOM 0 H THR A 642 -3.833 -8.701 9.188 1.00 32.13 H new ATOM 0 HA THR A 642 -0.952 -8.237 9.696 1.00 61.21 H new ATOM 0 HB THR A 642 -0.394 -8.102 7.452 1.00 55.03 H new ATOM 0 HG1 THR A 642 -3.000 -8.490 6.421 1.00 62.21 H new ATOM 0 HG21 THR A 642 -1.254 -10.080 6.254 1.00 63.14 H new ATOM 0 HG22 THR A 642 -0.912 -10.488 7.952 1.00 63.14 H new ATOM 0 HG23 THR A 642 -2.590 -10.223 7.422 1.00 63.14 H new ATOM 1598 N PRO A 643 -1.254 -5.756 9.379 1.00 31.35 N ATOM 1599 CA PRO A 643 -1.525 -4.342 9.576 1.00 61.43 C ATOM 1600 C PRO A 643 -1.999 -3.689 8.276 1.00 61.22 C ATOM 1601 O PRO A 643 -2.585 -2.608 8.298 1.00 44.21 O ATOM 1602 CB PRO A 643 -0.219 -3.760 10.092 1.00 53.44 C ATOM 1603 CG PRO A 643 0.860 -4.766 9.726 1.00 53.13 C ATOM 1604 CD PRO A 643 0.173 -6.062 9.328 1.00 34.25 C ATOM 0 HA PRO A 643 -2.333 -4.163 10.285 1.00 61.43 H new ATOM 0 HB2 PRO A 643 -0.018 -2.789 9.638 1.00 53.44 H new ATOM 0 HB3 PRO A 643 -0.259 -3.606 11.170 1.00 53.44 H new ATOM 0 HG2 PRO A 643 1.470 -4.390 8.905 1.00 53.13 H new ATOM 0 HG3 PRO A 643 1.529 -4.932 10.570 1.00 53.13 H new ATOM 0 HD2 PRO A 643 0.474 -6.380 8.330 1.00 34.25 H new ATOM 0 HD3 PRO A 643 0.429 -6.872 10.011 1.00 34.25 H new ATOM 1612 N GLN A 644 -1.728 -4.374 7.174 1.00 11.42 N ATOM 1613 CA GLN A 644 -2.120 -3.874 5.867 1.00 3.33 C ATOM 1614 C GLN A 644 -3.502 -4.408 5.487 1.00 11.21 C ATOM 1615 O GLN A 644 -4.065 -4.013 4.467 1.00 13.34 O ATOM 1616 CB GLN A 644 -1.080 -4.239 4.806 1.00 21.22 C ATOM 1617 CG GLN A 644 0.321 -4.323 5.417 1.00 55.11 C ATOM 1618 CD GLN A 644 1.386 -4.459 4.328 1.00 43.04 C ATOM 1619 OE1 GLN A 644 1.187 -5.481 3.500 1.00 34.21 O flip ATOM 1620 NE2 GLN A 644 2.328 -3.687 4.244 1.00 12.11 N flip ATOM 0 H GLN A 644 -1.242 -5.271 7.160 1.00 11.42 H new ATOM 0 HA GLN A 644 -2.174 -2.786 5.917 1.00 3.33 H new ATOM 0 HB2 GLN A 644 -1.340 -5.195 4.351 1.00 21.22 H new ATOM 0 HB3 GLN A 644 -1.090 -3.494 4.011 1.00 21.22 H new ATOM 0 HG2 GLN A 644 0.516 -3.431 6.012 1.00 55.11 H new ATOM 0 HG3 GLN A 644 0.376 -5.176 6.093 1.00 55.11 H new ATOM 0 HE21 GLN A 644 2.422 -2.922 4.913 1.00 12.11 H new ATOM 0 HE22 GLN A 644 3.021 -3.807 3.505 1.00 12.11 H new ATOM 1629 N GLY A 645 -4.009 -5.298 6.327 1.00 11.14 N ATOM 1630 CA GLY A 645 -5.315 -5.890 6.092 1.00 21.21 C ATOM 1631 C GLY A 645 -5.225 -7.417 6.050 1.00 21.01 C ATOM 1632 O GLY A 645 -4.364 -7.973 5.369 1.00 34.25 O ATOM 0 H GLY A 645 -3.539 -5.624 7.172 1.00 11.14 H new ATOM 0 HA2 GLY A 645 -6.004 -5.584 6.879 1.00 21.21 H new ATOM 0 HA3 GLY A 645 -5.722 -5.520 5.151 1.00 21.21 H new ATOM 1636 N ARG A 646 -6.125 -8.052 6.786 1.00 13.53 N ATOM 1637 CA ARG A 646 -6.158 -9.503 6.842 1.00 74.13 C ATOM 1638 C ARG A 646 -5.880 -10.094 5.458 1.00 5.41 C ATOM 1639 O ARG A 646 -6.113 -9.441 4.442 1.00 12.21 O ATOM 1640 CB ARG A 646 -7.516 -10.005 7.339 1.00 42.55 C ATOM 1641 CG ARG A 646 -7.512 -10.182 8.858 1.00 11.12 C ATOM 1642 CD ARG A 646 -8.939 -10.235 9.408 1.00 71.25 C ATOM 1643 NE ARG A 646 -9.685 -9.025 8.997 1.00 52.15 N ATOM 1644 CZ ARG A 646 -9.664 -7.857 9.673 1.00 13.20 C ATOM 1645 NH1 ARG A 646 -8.934 -7.731 10.801 1.00 25.32 N ATOM 1646 NH2 ARG A 646 -10.369 -6.839 9.215 1.00 74.20 N ATOM 0 H ARG A 646 -6.837 -7.587 7.349 1.00 13.53 H new ATOM 0 HA ARG A 646 -5.386 -9.825 7.541 1.00 74.13 H new ATOM 0 HB2 ARG A 646 -8.296 -9.299 7.054 1.00 42.55 H new ATOM 0 HB3 ARG A 646 -7.755 -10.954 6.859 1.00 42.55 H new ATOM 0 HG2 ARG A 646 -6.983 -11.099 9.119 1.00 11.12 H new ATOM 0 HG3 ARG A 646 -6.970 -9.358 9.322 1.00 11.12 H new ATOM 0 HD2 ARG A 646 -9.446 -11.127 9.041 1.00 71.25 H new ATOM 0 HD3 ARG A 646 -8.916 -10.306 10.495 1.00 71.25 H new ATOM 0 HE ARG A 646 -10.251 -9.077 8.150 1.00 52.15 H new ATOM 0 HH11 ARG A 646 -8.392 -8.522 11.149 1.00 25.32 H new ATOM 0 HH12 ARG A 646 -8.924 -6.845 11.306 1.00 25.32 H new ATOM 0 HH21 ARG A 646 -10.919 -6.942 8.362 1.00 74.20 H new ATOM 0 HH22 ARG A 646 -10.364 -5.949 9.714 1.00 74.20 H new ATOM 1659 N ILE A 647 -5.384 -11.322 5.463 1.00 22.31 N ATOM 1660 CA ILE A 647 -5.071 -12.008 4.221 1.00 63.01 C ATOM 1661 C ILE A 647 -5.503 -13.472 4.328 1.00 14.43 C ATOM 1662 O ILE A 647 -5.188 -14.146 5.308 1.00 42.34 O ATOM 1663 CB ILE A 647 -3.593 -11.828 3.867 1.00 10.03 C ATOM 1664 CG1 ILE A 647 -3.285 -10.369 3.524 1.00 32.01 C ATOM 1665 CG2 ILE A 647 -3.178 -12.781 2.744 1.00 1.25 C ATOM 1666 CD1 ILE A 647 -1.841 -10.014 3.883 1.00 21.21 C ATOM 0 H ILE A 647 -5.191 -11.860 6.308 1.00 22.31 H new ATOM 0 HA ILE A 647 -5.629 -11.570 3.394 1.00 63.01 H new ATOM 0 HB ILE A 647 -2.998 -12.085 4.743 1.00 10.03 H new ATOM 0 HG12 ILE A 647 -3.451 -10.199 2.460 1.00 32.01 H new ATOM 0 HG13 ILE A 647 -3.969 -9.713 4.062 1.00 32.01 H new ATOM 0 HG21 ILE A 647 -2.123 -12.632 2.512 1.00 1.25 H new ATOM 0 HG22 ILE A 647 -3.338 -13.811 3.063 1.00 1.25 H new ATOM 0 HG23 ILE A 647 -3.777 -12.579 1.856 1.00 1.25 H new ATOM 0 HD11 ILE A 647 -1.649 -8.972 3.629 1.00 21.21 H new ATOM 0 HD12 ILE A 647 -1.685 -10.162 4.952 1.00 21.21 H new ATOM 0 HD13 ILE A 647 -1.159 -10.655 3.325 1.00 21.21 H new ATOM 1678 N GLN A 648 -6.219 -13.920 3.308 1.00 73.23 N ATOM 1679 CA GLN A 648 -6.699 -15.292 3.275 1.00 4.51 C ATOM 1680 C GLN A 648 -6.452 -15.907 1.896 1.00 23.44 C ATOM 1681 O GLN A 648 -7.066 -15.500 0.912 1.00 44.44 O ATOM 1682 CB GLN A 648 -8.180 -15.364 3.651 1.00 41.35 C ATOM 1683 CG GLN A 648 -8.473 -16.609 4.489 1.00 30.51 C ATOM 1684 CD GLN A 648 -7.899 -17.864 3.827 1.00 53.33 C ATOM 1685 OE1 GLN A 648 -6.713 -18.141 3.887 1.00 62.40 O ATOM 1686 NE2 GLN A 648 -8.805 -18.603 3.193 1.00 31.42 N ATOM 0 H GLN A 648 -6.479 -13.358 2.498 1.00 73.23 H new ATOM 0 HA GLN A 648 -6.143 -15.869 4.014 1.00 4.51 H new ATOM 0 HB2 GLN A 648 -8.461 -14.471 4.209 1.00 41.35 H new ATOM 0 HB3 GLN A 648 -8.788 -15.379 2.747 1.00 41.35 H new ATOM 0 HG2 GLN A 648 -8.045 -16.491 5.484 1.00 30.51 H new ATOM 0 HG3 GLN A 648 -9.550 -16.721 4.616 1.00 30.51 H new ATOM 0 HE21 GLN A 648 -9.783 -18.313 3.182 1.00 31.42 H new ATOM 0 HE22 GLN A 648 -8.522 -19.460 2.718 1.00 31.42 H new ATOM 1695 N ALA A 649 -5.552 -16.879 1.870 1.00 22.43 N ATOM 1696 CA ALA A 649 -5.216 -17.556 0.629 1.00 53.53 C ATOM 1697 C ALA A 649 -5.804 -18.968 0.647 1.00 11.11 C ATOM 1698 O ALA A 649 -6.481 -19.350 1.600 1.00 12.04 O ATOM 1699 CB ALA A 649 -3.698 -17.558 0.443 1.00 24.40 C ATOM 0 H ALA A 649 -5.045 -17.214 2.689 1.00 22.43 H new ATOM 0 HA ALA A 649 -5.648 -17.031 -0.223 1.00 53.53 H new ATOM 0 HB1 ALA A 649 -3.446 -18.066 -0.488 1.00 24.40 H new ATOM 0 HB2 ALA A 649 -3.335 -16.531 0.406 1.00 24.40 H new ATOM 0 HB3 ALA A 649 -3.230 -18.079 1.278 1.00 24.40 H new ATOM 1705 N LYS A 650 -5.524 -19.705 -0.418 1.00 0.04 N ATOM 1706 CA LYS A 650 -6.017 -21.067 -0.536 1.00 5.13 C ATOM 1707 C LYS A 650 -4.843 -22.041 -0.415 1.00 32.33 C ATOM 1708 O LYS A 650 -5.036 -23.215 -0.100 1.00 50.31 O ATOM 1709 CB LYS A 650 -6.825 -21.234 -1.824 1.00 63.50 C ATOM 1710 CG LYS A 650 -7.759 -20.043 -2.044 1.00 40.11 C ATOM 1711 CD LYS A 650 -8.999 -20.458 -2.838 1.00 51.04 C ATOM 1712 CE LYS A 650 -10.026 -19.324 -2.884 1.00 24.40 C ATOM 1713 NZ LYS A 650 -10.915 -19.478 -4.057 1.00 11.41 N ATOM 0 H LYS A 650 -4.962 -19.385 -1.207 1.00 0.04 H new ATOM 0 HA LYS A 650 -6.706 -21.295 0.277 1.00 5.13 H new ATOM 0 HB2 LYS A 650 -6.148 -21.331 -2.672 1.00 63.50 H new ATOM 0 HB3 LYS A 650 -7.408 -22.154 -1.775 1.00 63.50 H new ATOM 0 HG2 LYS A 650 -8.061 -19.630 -1.081 1.00 40.11 H new ATOM 0 HG3 LYS A 650 -7.229 -19.254 -2.577 1.00 40.11 H new ATOM 0 HD2 LYS A 650 -8.710 -20.733 -3.852 1.00 51.04 H new ATOM 0 HD3 LYS A 650 -9.447 -21.341 -2.383 1.00 51.04 H new ATOM 0 HE2 LYS A 650 -10.618 -19.324 -1.969 1.00 24.40 H new ATOM 0 HE3 LYS A 650 -9.514 -18.363 -2.932 1.00 24.40 H new ATOM 0 HZ1 LYS A 650 -11.606 -18.701 -4.073 1.00 11.41 H new ATOM 0 HZ2 LYS A 650 -10.347 -19.455 -4.928 1.00 11.41 H new ATOM 0 HZ3 LYS A 650 -11.417 -20.386 -3.995 1.00 11.41 H new ATOM 1726 N LYS A 651 -3.653 -21.519 -0.671 1.00 1.12 N ATOM 1727 CA LYS A 651 -2.448 -22.328 -0.594 1.00 73.05 C ATOM 1728 C LYS A 651 -1.371 -21.560 0.174 1.00 40.23 C ATOM 1729 O LYS A 651 -1.339 -20.331 0.143 1.00 13.54 O ATOM 1730 CB LYS A 651 -2.010 -22.770 -1.992 1.00 51.23 C ATOM 1731 CG LYS A 651 -2.805 -23.992 -2.455 1.00 71.33 C ATOM 1732 CD LYS A 651 -2.295 -25.266 -1.779 1.00 63.42 C ATOM 1733 CE LYS A 651 -1.096 -25.845 -2.534 1.00 11.02 C ATOM 1734 NZ LYS A 651 -1.551 -26.735 -3.625 1.00 53.03 N ATOM 0 H LYS A 651 -3.497 -20.545 -0.932 1.00 1.12 H new ATOM 0 HA LYS A 651 -2.640 -23.247 -0.040 1.00 73.05 H new ATOM 0 HB2 LYS A 651 -2.152 -21.951 -2.697 1.00 51.23 H new ATOM 0 HB3 LYS A 651 -0.946 -23.005 -1.986 1.00 51.23 H new ATOM 0 HG2 LYS A 651 -3.861 -23.852 -2.225 1.00 71.33 H new ATOM 0 HG3 LYS A 651 -2.725 -24.093 -3.537 1.00 71.33 H new ATOM 0 HD2 LYS A 651 -2.010 -25.047 -0.750 1.00 63.42 H new ATOM 0 HD3 LYS A 651 -3.095 -26.005 -1.738 1.00 63.42 H new ATOM 0 HE2 LYS A 651 -0.492 -25.036 -2.945 1.00 11.02 H new ATOM 0 HE3 LYS A 651 -0.459 -26.400 -1.846 1.00 11.02 H new ATOM 0 HZ1 LYS A 651 -0.725 -27.119 -4.127 1.00 53.03 H new ATOM 0 HZ2 LYS A 651 -2.108 -27.517 -3.225 1.00 53.03 H new ATOM 0 HZ3 LYS A 651 -2.140 -26.195 -4.291 1.00 53.03 H new ATOM 1747 N TRP A 652 -0.514 -22.316 0.844 1.00 35.32 N ATOM 1748 CA TRP A 652 0.562 -21.722 1.619 1.00 54.01 C ATOM 1749 C TRP A 652 1.523 -21.038 0.645 1.00 1.43 C ATOM 1750 O TRP A 652 2.343 -20.215 1.052 1.00 74.24 O ATOM 1751 CB TRP A 652 1.247 -22.769 2.499 1.00 72.32 C ATOM 1752 CG TRP A 652 0.304 -23.473 3.477 1.00 22.21 C ATOM 1753 CD1 TRP A 652 -0.628 -24.397 3.205 1.00 44.10 C ATOM 1754 CD2 TRP A 652 0.240 -23.271 4.905 1.00 74.53 C ATOM 1755 NE1 TRP A 652 -1.286 -24.804 4.348 1.00 44.31 N ATOM 1756 CE2 TRP A 652 -0.741 -24.098 5.414 1.00 12.44 C ATOM 1757 CE3 TRP A 652 0.986 -22.419 5.738 1.00 74.32 C ATOM 1758 CZ2 TRP A 652 -1.066 -24.153 6.775 1.00 55.40 C ATOM 1759 CZ3 TRP A 652 0.648 -22.486 7.095 1.00 23.00 C ATOM 1760 CH2 TRP A 652 -0.336 -23.312 7.624 1.00 75.11 C ATOM 0 H TRP A 652 -0.543 -23.335 0.866 1.00 35.32 H new ATOM 0 HA TRP A 652 0.173 -20.973 2.309 1.00 54.01 H new ATOM 0 HB2 TRP A 652 1.715 -23.517 1.859 1.00 72.32 H new ATOM 0 HB3 TRP A 652 2.046 -22.288 3.063 1.00 72.32 H new ATOM 0 HD1 TRP A 652 -0.838 -24.776 2.216 1.00 44.10 H new ATOM 0 HE1 TRP A 652 -2.034 -25.495 4.401 1.00 44.31 H new ATOM 0 HE3 TRP A 652 1.758 -21.765 5.361 1.00 74.32 H new ATOM 0 HZ2 TRP A 652 -1.838 -24.809 7.150 1.00 55.40 H new ATOM 0 HZ3 TRP A 652 1.191 -21.851 7.779 1.00 23.00 H new ATOM 0 HH2 TRP A 652 -0.537 -23.305 8.685 1.00 75.11 H new ATOM 1771 N SER A 653 1.391 -21.402 -0.622 1.00 31.45 N ATOM 1772 CA SER A 653 2.238 -20.834 -1.656 1.00 52.14 C ATOM 1773 C SER A 653 1.976 -19.332 -1.780 1.00 10.50 C ATOM 1774 O SER A 653 2.732 -18.618 -2.437 1.00 43.10 O ATOM 1775 CB SER A 653 2.004 -21.526 -3.001 1.00 3.32 C ATOM 1776 OG SER A 653 2.102 -22.944 -2.896 1.00 15.44 O ATOM 0 H SER A 653 0.710 -22.084 -0.956 1.00 31.45 H new ATOM 0 HA SER A 653 3.278 -20.993 -1.372 1.00 52.14 H new ATOM 0 HB2 SER A 653 1.018 -21.258 -3.380 1.00 3.32 H new ATOM 0 HB3 SER A 653 2.733 -21.165 -3.726 1.00 3.32 H new ATOM 0 HG SER A 653 1.945 -23.349 -3.775 1.00 15.44 H new ATOM 1782 N ARG A 654 0.902 -18.896 -1.138 1.00 2.31 N ATOM 1783 CA ARG A 654 0.531 -17.491 -1.168 1.00 21.14 C ATOM 1784 C ARG A 654 0.852 -16.829 0.174 1.00 45.34 C ATOM 1785 O ARG A 654 1.085 -15.622 0.234 1.00 32.32 O ATOM 1786 CB ARG A 654 -0.959 -17.322 -1.468 1.00 55.52 C ATOM 1787 CG ARG A 654 -1.468 -18.448 -2.370 1.00 55.32 C ATOM 1788 CD ARG A 654 -0.679 -18.500 -3.680 1.00 33.31 C ATOM 1789 NE ARG A 654 -1.498 -19.132 -4.739 1.00 2.20 N ATOM 1790 CZ ARG A 654 -1.055 -19.383 -5.989 1.00 62.22 C ATOM 1791 NH1 ARG A 654 0.205 -19.058 -6.348 1.00 24.12 N ATOM 1792 NH2 ARG A 654 -1.872 -19.952 -6.856 1.00 14.43 N ATOM 0 H ARG A 654 0.277 -19.491 -0.594 1.00 2.31 H new ATOM 0 HA ARG A 654 1.106 -17.012 -1.960 1.00 21.14 H new ATOM 0 HB2 ARG A 654 -1.523 -17.315 -0.535 1.00 55.52 H new ATOM 0 HB3 ARG A 654 -1.130 -16.360 -1.950 1.00 55.52 H new ATOM 0 HG2 ARG A 654 -1.381 -19.402 -1.851 1.00 55.32 H new ATOM 0 HG3 ARG A 654 -2.526 -18.297 -2.584 1.00 55.32 H new ATOM 0 HD2 ARG A 654 -0.393 -17.493 -3.982 1.00 33.31 H new ATOM 0 HD3 ARG A 654 0.243 -19.063 -3.537 1.00 33.31 H new ATOM 0 HE ARG A 654 -2.457 -19.394 -4.510 1.00 2.20 H new ATOM 0 HH11 ARG A 654 0.831 -18.619 -5.672 1.00 24.12 H new ATOM 0 HH12 ARG A 654 0.531 -19.251 -7.295 1.00 24.12 H new ATOM 0 HH21 ARG A 654 -2.823 -20.195 -6.577 1.00 14.43 H new ATOM 0 HH22 ARG A 654 -1.553 -20.148 -7.805 1.00 14.43 H new ATOM 1805 N VAL A 655 0.855 -17.647 1.216 1.00 44.22 N ATOM 1806 CA VAL A 655 1.144 -17.155 2.552 1.00 24.23 C ATOM 1807 C VAL A 655 2.281 -16.134 2.481 1.00 44.15 C ATOM 1808 O VAL A 655 3.346 -16.422 1.935 1.00 12.24 O ATOM 1809 CB VAL A 655 1.452 -18.328 3.486 1.00 40.31 C ATOM 1810 CG1 VAL A 655 2.399 -17.900 4.609 1.00 63.42 C ATOM 1811 CG2 VAL A 655 0.165 -18.929 4.053 1.00 13.14 C ATOM 0 H VAL A 655 0.662 -18.647 1.162 1.00 44.22 H new ATOM 0 HA VAL A 655 0.275 -16.645 2.967 1.00 24.23 H new ATOM 0 HB VAL A 655 1.953 -19.100 2.902 1.00 40.31 H new ATOM 0 HG11 VAL A 655 2.602 -18.752 5.258 1.00 63.42 H new ATOM 0 HG12 VAL A 655 3.334 -17.541 4.179 1.00 63.42 H new ATOM 0 HG13 VAL A 655 1.937 -17.102 5.191 1.00 63.42 H new ATOM 0 HG21 VAL A 655 0.412 -19.760 4.713 1.00 13.14 H new ATOM 0 HG22 VAL A 655 -0.375 -18.167 4.615 1.00 13.14 H new ATOM 0 HG23 VAL A 655 -0.460 -19.288 3.235 1.00 13.14 H new ATOM 1821 N PRO A 656 2.010 -14.931 3.054 1.00 42.24 N ATOM 1822 CA PRO A 656 2.998 -13.865 3.060 1.00 70.22 C ATOM 1823 C PRO A 656 4.099 -14.144 4.085 1.00 61.22 C ATOM 1824 O PRO A 656 5.284 -14.085 3.760 1.00 0.50 O ATOM 1825 CB PRO A 656 2.211 -12.601 3.363 1.00 13.20 C ATOM 1826 CG PRO A 656 0.897 -13.064 3.972 1.00 2.41 C ATOM 1827 CD PRO A 656 0.761 -14.554 3.708 1.00 32.34 C ATOM 0 HA PRO A 656 3.523 -13.773 2.109 1.00 70.22 H new ATOM 0 HB2 PRO A 656 2.756 -11.958 4.054 1.00 13.20 H new ATOM 0 HB3 PRO A 656 2.038 -12.022 2.456 1.00 13.20 H new ATOM 0 HG2 PRO A 656 0.881 -12.863 5.043 1.00 2.41 H new ATOM 0 HG3 PRO A 656 0.060 -12.521 3.533 1.00 2.41 H new ATOM 0 HD2 PRO A 656 0.617 -15.109 4.635 1.00 32.34 H new ATOM 0 HD3 PRO A 656 -0.099 -14.767 3.072 1.00 32.34 H new ATOM 1835 N PHE A 657 3.669 -14.443 5.302 1.00 53.13 N ATOM 1836 CA PHE A 657 4.603 -14.731 6.376 1.00 23.52 C ATOM 1837 C PHE A 657 5.436 -15.975 6.059 1.00 30.45 C ATOM 1838 O PHE A 657 4.970 -16.879 5.367 1.00 32.14 O ATOM 1839 CB PHE A 657 3.772 -14.995 7.633 1.00 30.32 C ATOM 1840 CG PHE A 657 3.103 -16.371 7.659 1.00 32.13 C ATOM 1841 CD1 PHE A 657 3.802 -17.459 8.081 1.00 74.24 C ATOM 1842 CD2 PHE A 657 1.809 -16.506 7.261 1.00 5.21 C ATOM 1843 CE1 PHE A 657 3.181 -18.736 8.105 1.00 54.13 C ATOM 1844 CE2 PHE A 657 1.188 -17.783 7.285 1.00 5.32 C ATOM 1845 CZ PHE A 657 1.887 -18.871 7.706 1.00 2.25 C ATOM 0 H PHE A 657 2.685 -14.492 5.568 1.00 53.13 H new ATOM 0 HA PHE A 657 5.287 -13.893 6.509 1.00 23.52 H new ATOM 0 HB2 PHE A 657 4.415 -14.898 8.508 1.00 30.32 H new ATOM 0 HB3 PHE A 657 3.003 -14.227 7.716 1.00 30.32 H new ATOM 0 HD1 PHE A 657 4.829 -17.352 8.398 1.00 74.24 H new ATOM 0 HD2 PHE A 657 1.254 -15.642 6.927 1.00 5.21 H new ATOM 0 HE1 PHE A 657 3.736 -19.600 8.440 1.00 54.13 H new ATOM 0 HE2 PHE A 657 0.161 -17.890 6.969 1.00 5.32 H new ATOM 0 HZ PHE A 657 1.415 -19.842 7.724 1.00 2.25 H new ATOM 1855 N SER A 658 6.654 -15.982 6.581 1.00 12.22 N ATOM 1856 CA SER A 658 7.556 -17.100 6.363 1.00 52.13 C ATOM 1857 C SER A 658 7.290 -18.196 7.396 1.00 22.24 C ATOM 1858 O SER A 658 6.955 -17.905 8.544 1.00 43.25 O ATOM 1859 CB SER A 658 9.017 -16.650 6.429 1.00 34.14 C ATOM 1860 OG SER A 658 9.187 -15.317 5.956 1.00 51.20 O ATOM 0 H SER A 658 7.037 -15.231 7.155 1.00 12.22 H new ATOM 0 HA SER A 658 7.372 -17.499 5.365 1.00 52.13 H new ATOM 0 HB2 SER A 658 9.371 -16.717 7.458 1.00 34.14 H new ATOM 0 HB3 SER A 658 9.632 -17.326 5.835 1.00 34.14 H new ATOM 0 HG SER A 658 10.133 -15.067 6.016 1.00 51.20 H new ATOM 1866 N VAL A 659 7.450 -19.434 6.953 1.00 73.42 N ATOM 1867 CA VAL A 659 7.231 -20.576 7.825 1.00 3.21 C ATOM 1868 C VAL A 659 8.527 -21.383 7.936 1.00 55.32 C ATOM 1869 O VAL A 659 8.839 -22.185 7.058 1.00 44.15 O ATOM 1870 CB VAL A 659 6.052 -21.406 7.315 1.00 15.12 C ATOM 1871 CG1 VAL A 659 5.418 -22.212 8.450 1.00 34.52 C ATOM 1872 CG2 VAL A 659 5.013 -20.518 6.627 1.00 41.20 C ATOM 0 H VAL A 659 7.729 -19.672 6.001 1.00 73.42 H new ATOM 0 HA VAL A 659 6.967 -20.245 8.829 1.00 3.21 H new ATOM 0 HB VAL A 659 6.433 -22.110 6.576 1.00 15.12 H new ATOM 0 HG11 VAL A 659 4.582 -22.793 8.061 1.00 34.52 H new ATOM 0 HG12 VAL A 659 6.161 -22.886 8.877 1.00 34.52 H new ATOM 0 HG13 VAL A 659 5.058 -21.532 9.222 1.00 34.52 H new ATOM 0 HG21 VAL A 659 4.185 -21.133 6.274 1.00 41.20 H new ATOM 0 HG22 VAL A 659 4.639 -19.779 7.336 1.00 41.20 H new ATOM 0 HG23 VAL A 659 5.473 -20.008 5.781 1.00 41.20 H new ATOM 1882 N PRO A 660 9.264 -21.136 9.052 1.00 50.35 N ATOM 1883 CA PRO A 660 10.518 -21.830 9.289 1.00 41.15 C ATOM 1884 C PRO A 660 10.271 -23.274 9.730 1.00 53.03 C ATOM 1885 O PRO A 660 9.278 -23.562 10.397 1.00 4.51 O ATOM 1886 CB PRO A 660 11.234 -21.001 10.343 1.00 75.03 C ATOM 1887 CG PRO A 660 10.163 -20.139 10.992 1.00 22.24 C ATOM 1888 CD PRO A 660 8.925 -20.192 10.113 1.00 34.50 C ATOM 0 HA PRO A 660 11.127 -21.917 8.389 1.00 41.15 H new ATOM 0 HB2 PRO A 660 11.720 -21.641 11.080 1.00 75.03 H new ATOM 0 HB3 PRO A 660 12.012 -20.385 9.893 1.00 75.03 H new ATOM 0 HG2 PRO A 660 9.935 -20.503 11.994 1.00 22.24 H new ATOM 0 HG3 PRO A 660 10.512 -19.112 11.098 1.00 22.24 H new ATOM 0 HD2 PRO A 660 8.053 -20.526 10.676 1.00 34.50 H new ATOM 0 HD3 PRO A 660 8.685 -19.209 9.707 1.00 34.50 H new ATOM 1896 N ASP A 661 11.190 -24.144 9.339 1.00 23.10 N ATOM 1897 CA ASP A 661 11.085 -25.551 9.686 1.00 75.21 C ATOM 1898 C ASP A 661 11.155 -25.704 11.207 1.00 44.33 C ATOM 1899 O ASP A 661 11.591 -24.791 11.906 1.00 3.41 O ATOM 1900 CB ASP A 661 12.233 -26.357 9.076 1.00 43.40 C ATOM 1901 CG ASP A 661 12.302 -26.330 7.548 1.00 75.33 C ATOM 1902 OD1 ASP A 661 11.592 -25.554 6.890 1.00 23.40 O ATOM 1903 OD2 ASP A 661 13.137 -27.162 7.025 1.00 62.41 O ATOM 0 H ASP A 661 12.011 -23.902 8.785 1.00 23.10 H new ATOM 0 HA ASP A 661 10.137 -25.924 9.297 1.00 75.21 H new ATOM 0 HB2 ASP A 661 13.174 -25.978 9.474 1.00 43.40 H new ATOM 0 HB3 ASP A 661 12.143 -27.393 9.402 1.00 43.40 H new ATOM 1909 N PHE A 662 10.720 -26.865 11.674 1.00 42.32 N ATOM 1910 CA PHE A 662 10.729 -27.149 13.099 1.00 52.42 C ATOM 1911 C PHE A 662 12.050 -27.793 13.522 1.00 65.25 C ATOM 1912 O PHE A 662 12.448 -28.819 12.972 1.00 24.42 O ATOM 1913 CB PHE A 662 9.587 -28.132 13.366 1.00 42.51 C ATOM 1914 CG PHE A 662 9.576 -28.702 14.786 1.00 43.43 C ATOM 1915 CD1 PHE A 662 10.505 -29.624 15.155 1.00 32.31 C ATOM 1916 CD2 PHE A 662 8.638 -28.286 15.678 1.00 3.22 C ATOM 1917 CE1 PHE A 662 10.495 -30.153 16.473 1.00 74.42 C ATOM 1918 CE2 PHE A 662 8.628 -28.815 16.996 1.00 61.01 C ATOM 1919 CZ PHE A 662 9.557 -29.738 17.365 1.00 15.34 C ATOM 0 H PHE A 662 10.359 -27.620 11.091 1.00 42.32 H new ATOM 0 HA PHE A 662 10.610 -26.224 13.663 1.00 52.42 H new ATOM 0 HB2 PHE A 662 8.638 -27.630 13.180 1.00 42.51 H new ATOM 0 HB3 PHE A 662 9.657 -28.956 12.655 1.00 42.51 H new ATOM 0 HD1 PHE A 662 11.250 -29.954 14.446 1.00 32.31 H new ATOM 0 HD2 PHE A 662 7.901 -27.553 15.384 1.00 3.22 H new ATOM 0 HE1 PHE A 662 11.233 -30.885 16.767 1.00 74.42 H new ATOM 0 HE2 PHE A 662 7.883 -28.485 17.705 1.00 61.01 H new ATOM 0 HZ PHE A 662 9.549 -30.141 18.367 1.00 15.34 H new