USER MOD reduce.3.24.130724 H: found=0, std=0, add=1244, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1247 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 581 GLN : amide:sc= 0.242 K(o=-6.4,f=-2.1) USER MOD Set 1.2: B 629 GLN : amide:sc= -6.65! K(o=-6.4!,f=-1.1) USER MOD Set 2.1: B 563 LYS NZ :NH3+ -166:sc= 0.0113 (180deg=-0.287) USER MOD Set 2.2: B 567 ASN : amide:sc= -0.283 K(o=-0.27,f=0.39) USER MOD Set 3.1: B 514 LYS NZ :NH3+ 171:sc= -0.368 (180deg=-0.0695) USER MOD Set 3.2: B 558 HIS : no HD1:sc= -0.368 K(o=-0.74,f=0.52) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0964 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.47) USER MOD Single : A 8 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0794 (180deg=-0.403) USER MOD Single : A 20 ASN : amide:sc= -0.22 K(o=-0.22,f=-5!) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0465 (180deg=-0.24) USER MOD Single : A 22 THR OG1 : rot -7:sc= 0.476 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : B 505 SER OG : rot 35:sc= 0.309 USER MOD Single : B 508 MET CE :methyl -122:sc= -1.23 (180deg=-3.02!) USER MOD Single : B 509 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-2.8!) USER MOD Single : B 519 THR OG1 : rot 79:sc= 0.799 USER MOD Single : B 522 LYS NZ :NH3+ -165:sc= -0.0434 (180deg=-0.327) USER MOD Single : B 528 CYS SG : rot 150:sc= -0.287 USER MOD Single : B 530 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.35) USER MOD Single : B 531 LYS NZ :NH3+ -165:sc= -0.0301 (180deg=-0.27) USER MOD Single : B 534 LYS NZ :NH3+ 170:sc=-0.00531 (180deg=-0.151) USER MOD Single : B 536 ASN : amide:sc= -1.95 X(o=-2,f=-2.4) USER MOD Single : B 537 LYS NZ :NH3+ 173:sc= -6.25! (180deg=-6.34!) USER MOD Single : B 542 SER OG : rot -33:sc= 1.25 USER MOD Single : B 543 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.0045) USER MOD Single : B 545 MET CE :methyl -168:sc= -2.39 (180deg=-2.58!) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 560 LYS NZ :NH3+ -168:sc= -1.41 (180deg=-1.64) USER MOD Single : B 564 THR OG1 : rot 2:sc= 0.241 USER MOD Single : B 568 LYS NZ :NH3+ -160:sc= -0.588 (180deg=-1.07) USER MOD Single : B 573 MET CE :methyl 154:sc= 0 (180deg=-0.79) USER MOD Single : B 574 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.15) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-3.1!) USER MOD Single : B 583 MET CE :methyl 157:sc= -0.607 (180deg=-1.39) USER MOD Single : B 585 CYS SG : rot 144:sc= 0.159 USER MOD Single : B 587 THR OG1 : rot 81:sc= 0.235 USER MOD Single : B 590 LYS NZ :NH3+ -166:sc= -0.0456 (180deg=-0.259) USER MOD Single : B 593 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : B 594 LYS NZ :NH3+ 155:sc= -0.173 (180deg=-0.7) USER MOD Single : B 595 CYS SG : rot 180:sc= 0 USER MOD Single : B 598 HIS : no HD1:sc= -3.95! C(o=-4!,f=-7.5!) USER MOD Single : B 601 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 603 GLN : amide:sc= -1.66 K(o=-1.7,f=-1.1) USER MOD Single : B 608 MET CE :methyl -124:sc= -0.692 (180deg=-1.45) USER MOD Single : B 616 ASN : amide:sc= 0.0164 K(o=0.016,f=-0.55) USER MOD Single : B 617 ASN : amide:sc= 0.187 X(o=0.19,f=-0.02) USER MOD Single : B 619 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.63) USER MOD Single : B 620 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 CYS SG : rot 180:sc= 0 USER MOD Single : B 626 GLN : amide:sc= -0.0051 X(o=-0.0051,f=-0.0051) USER MOD Single : B 628 GLN : amide:sc= -3.34! K(o=-3.3!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.904 18.950 5.100 1.00 9.86 N ATOM 2 CA GLY A 1 16.058 17.724 5.101 1.00 9.49 C ATOM 3 C GLY A 1 16.499 16.718 6.148 1.00 8.77 C ATOM 4 O GLY A 1 17.108 15.698 5.821 1.00 8.88 O ATOM 0 H1 GLY A 1 16.564 19.606 4.368 1.00 9.86 H new ATOM 0 H2 GLY A 1 16.849 19.411 6.031 1.00 9.86 H new ATOM 0 H3 GLY A 1 17.891 18.691 4.900 1.00 9.86 H new ATOM 0 HA2 GLY A 1 15.020 18.002 5.283 1.00 9.49 H new ATOM 0 HA3 GLY A 1 16.095 17.259 4.116 1.00 9.49 H new ATOM 10 N SER A 2 16.189 17.007 7.407 1.00 8.31 N ATOM 11 CA SER A 2 16.555 16.125 8.509 1.00 7.88 C ATOM 12 C SER A 2 15.438 15.132 8.809 1.00 7.19 C ATOM 13 O SER A 2 14.285 15.521 8.998 1.00 7.34 O ATOM 14 CB SER A 2 16.872 16.945 9.759 1.00 8.41 C ATOM 15 OG SER A 2 15.745 17.698 10.173 1.00 8.78 O ATOM 0 H SER A 2 15.684 17.847 7.690 1.00 8.31 H new ATOM 0 HA SER A 2 17.442 15.565 8.213 1.00 7.88 H new ATOM 0 HB2 SER A 2 17.185 16.280 10.564 1.00 8.41 H new ATOM 0 HB3 SER A 2 17.707 17.616 9.556 1.00 8.41 H new ATOM 0 HG SER A 2 14.932 17.165 10.050 1.00 8.78 H new ATOM 21 N ALA A 3 15.787 13.850 8.854 1.00 6.75 N ATOM 22 CA ALA A 3 14.813 12.802 9.132 1.00 6.38 C ATOM 23 C ALA A 3 15.503 11.518 9.582 1.00 5.72 C ATOM 24 O ALA A 3 15.795 10.639 8.768 1.00 5.87 O ATOM 25 CB ALA A 3 13.954 12.541 7.904 1.00 6.82 C ATOM 0 H ALA A 3 16.737 13.513 8.701 1.00 6.75 H new ATOM 0 HA ALA A 3 14.171 13.142 9.944 1.00 6.38 H new ATOM 0 HB1 ALA A 3 13.231 11.756 8.126 1.00 6.82 H new ATOM 0 HB2 ALA A 3 13.426 13.454 7.629 1.00 6.82 H new ATOM 0 HB3 ALA A 3 14.589 12.226 7.076 1.00 6.82 H new ATOM 31 N SER A 4 15.759 11.415 10.882 1.00 5.38 N ATOM 32 CA SER A 4 16.415 10.238 11.445 1.00 5.10 C ATOM 33 C SER A 4 15.391 9.199 11.893 1.00 4.43 C ATOM 34 O SER A 4 15.731 8.233 12.575 1.00 4.55 O ATOM 35 CB SER A 4 17.300 10.639 12.626 1.00 5.78 C ATOM 36 OG SER A 4 16.536 11.257 13.649 1.00 6.25 O ATOM 0 H SER A 4 15.522 12.133 11.567 1.00 5.38 H new ATOM 0 HA SER A 4 17.035 9.794 10.666 1.00 5.10 H new ATOM 0 HB2 SER A 4 17.802 9.757 13.025 1.00 5.78 H new ATOM 0 HB3 SER A 4 18.078 11.322 12.286 1.00 5.78 H new ATOM 0 HG SER A 4 17.124 11.502 14.393 1.00 6.25 H new ATOM 42 N GLY A 5 14.135 9.405 11.501 1.00 4.12 N ATOM 43 CA GLY A 5 13.080 8.478 11.872 1.00 3.78 C ATOM 44 C GLY A 5 11.716 9.142 11.927 1.00 3.46 C ATOM 45 O GLY A 5 11.088 9.200 12.984 1.00 3.82 O ATOM 0 H GLY A 5 13.830 10.196 10.934 1.00 4.12 H new ATOM 0 HA2 GLY A 5 13.053 7.658 11.155 1.00 3.78 H new ATOM 0 HA3 GLY A 5 13.308 8.043 12.845 1.00 3.78 H new ATOM 49 N ASN A 6 11.259 9.643 10.783 1.00 3.11 N ATOM 50 CA ASN A 6 9.962 10.306 10.699 1.00 2.93 C ATOM 51 C ASN A 6 9.005 9.513 9.814 1.00 2.42 C ATOM 52 O ASN A 6 7.809 9.800 9.758 1.00 2.39 O ATOM 53 CB ASN A 6 10.126 11.724 10.150 1.00 3.19 C ATOM 54 CG ASN A 6 8.813 12.482 10.093 1.00 3.56 C ATOM 55 OD1 ASN A 6 8.105 12.444 9.088 1.00 3.97 O ATOM 56 ND2 ASN A 6 8.484 13.176 11.176 1.00 4.03 N ATOM 0 H ASN A 6 11.769 9.602 9.900 1.00 3.11 H new ATOM 0 HA ASN A 6 9.542 10.360 11.703 1.00 2.93 H new ATOM 0 HB2 ASN A 6 10.831 12.272 10.775 1.00 3.19 H new ATOM 0 HB3 ASN A 6 10.557 11.675 9.150 1.00 3.19 H new ATOM 0 HD21 ASN A 6 7.613 13.706 11.197 1.00 4.03 H new ATOM 0 HD22 ASN A 6 9.102 13.179 11.987 1.00 4.03 H new ATOM 63 N LEU A 7 9.543 8.511 9.124 1.00 2.21 N ATOM 64 CA LEU A 7 8.742 7.673 8.239 1.00 1.95 C ATOM 65 C LEU A 7 7.820 6.760 9.042 1.00 2.03 C ATOM 66 O LEU A 7 6.849 6.219 8.513 1.00 2.04 O ATOM 67 CB LEU A 7 9.651 6.832 7.341 1.00 2.09 C ATOM 68 CG LEU A 7 8.949 6.149 6.167 1.00 1.70 C ATOM 69 CD1 LEU A 7 9.163 6.936 4.882 1.00 2.02 C ATOM 70 CD2 LEU A 7 9.447 4.722 6.013 1.00 2.01 C ATOM 0 H LEU A 7 10.531 8.260 9.161 1.00 2.21 H new ATOM 0 HA LEU A 7 8.128 8.326 7.618 1.00 1.95 H new ATOM 0 HB2 LEU A 7 10.442 7.472 6.949 1.00 2.09 H new ATOM 0 HB3 LEU A 7 10.132 6.068 7.951 1.00 2.09 H new ATOM 0 HG LEU A 7 7.879 6.121 6.372 1.00 1.70 H new ATOM 0 HD11 LEU A 7 8.656 6.433 4.059 1.00 2.02 H new ATOM 0 HD12 LEU A 7 8.757 7.941 4.999 1.00 2.02 H new ATOM 0 HD13 LEU A 7 10.230 6.998 4.667 1.00 2.02 H new ATOM 0 HD21 LEU A 7 8.939 4.248 5.173 1.00 2.01 H new ATOM 0 HD22 LEU A 7 10.521 4.729 5.829 1.00 2.01 H new ATOM 0 HD23 LEU A 7 9.239 4.163 6.926 1.00 2.01 H new ATOM 82 N ASN A 8 8.131 6.595 10.325 1.00 2.30 N ATOM 83 CA ASN A 8 7.336 5.742 11.202 1.00 2.54 C ATOM 84 C ASN A 8 5.937 6.314 11.414 1.00 2.33 C ATOM 85 O ASN A 8 4.970 5.569 11.572 1.00 2.42 O ATOM 86 CB ASN A 8 8.039 5.571 12.550 1.00 3.04 C ATOM 87 CG ASN A 8 7.302 4.619 13.470 1.00 3.36 C ATOM 88 OD1 ASN A 8 7.557 3.415 13.467 1.00 3.79 O ATOM 89 ND2 ASN A 8 6.382 5.154 14.264 1.00 3.72 N ATOM 0 H ASN A 8 8.928 7.041 10.780 1.00 2.30 H new ATOM 0 HA ASN A 8 7.235 4.769 10.721 1.00 2.54 H new ATOM 0 HB2 ASN A 8 9.051 5.201 12.384 1.00 3.04 H new ATOM 0 HB3 ASN A 8 8.130 6.543 13.035 1.00 3.04 H new ATOM 0 HD21 ASN A 8 5.854 4.561 14.905 1.00 3.72 H new ATOM 0 HD22 ASN A 8 6.203 6.158 14.233 1.00 3.72 H new ATOM 96 N GLU A 9 5.837 7.641 11.419 1.00 2.24 N ATOM 97 CA GLU A 9 4.555 8.310 11.617 1.00 2.25 C ATOM 98 C GLU A 9 3.737 8.330 10.329 1.00 1.83 C ATOM 99 O GLU A 9 2.523 8.530 10.359 1.00 1.95 O ATOM 100 CB GLU A 9 4.775 9.740 12.114 1.00 2.63 C ATOM 101 CG GLU A 9 5.472 9.814 13.462 1.00 3.15 C ATOM 102 CD GLU A 9 4.660 9.179 14.574 1.00 3.69 C ATOM 103 OE1 GLU A 9 3.795 9.874 15.147 1.00 4.17 O ATOM 104 OE2 GLU A 9 4.889 7.988 14.874 1.00 4.02 O ATOM 0 H GLU A 9 6.627 8.273 11.288 1.00 2.24 H new ATOM 0 HA GLU A 9 3.998 7.749 12.367 1.00 2.25 H new ATOM 0 HB2 GLU A 9 5.366 10.285 11.378 1.00 2.63 H new ATOM 0 HB3 GLU A 9 3.811 10.244 12.184 1.00 2.63 H new ATOM 0 HG2 GLU A 9 6.440 9.317 13.394 1.00 3.15 H new ATOM 0 HG3 GLU A 9 5.666 10.858 13.710 1.00 3.15 H new ATOM 111 N LEU A 10 4.410 8.122 9.202 1.00 1.57 N ATOM 112 CA LEU A 10 3.744 8.123 7.904 1.00 1.57 C ATOM 113 C LEU A 10 2.974 6.824 7.686 1.00 1.64 C ATOM 114 O LEU A 10 1.901 6.821 7.084 1.00 1.93 O ATOM 115 CB LEU A 10 4.765 8.315 6.781 1.00 1.77 C ATOM 116 CG LEU A 10 5.807 9.411 7.019 1.00 2.02 C ATOM 117 CD1 LEU A 10 6.780 9.475 5.853 1.00 2.38 C ATOM 118 CD2 LEU A 10 5.139 10.764 7.228 1.00 2.58 C ATOM 0 H LEU A 10 5.415 7.951 9.161 1.00 1.57 H new ATOM 0 HA LEU A 10 3.037 8.953 7.889 1.00 1.57 H new ATOM 0 HB2 LEU A 10 5.286 7.371 6.622 1.00 1.77 H new ATOM 0 HB3 LEU A 10 4.228 8.542 5.860 1.00 1.77 H new ATOM 0 HG LEU A 10 6.360 9.164 7.925 1.00 2.02 H new ATOM 0 HD11 LEU A 10 7.515 10.259 6.035 1.00 2.38 H new ATOM 0 HD12 LEU A 10 7.289 8.516 5.751 1.00 2.38 H new ATOM 0 HD13 LEU A 10 6.234 9.696 4.936 1.00 2.38 H new ATOM 0 HD21 LEU A 10 5.902 11.524 7.395 1.00 2.58 H new ATOM 0 HD22 LEU A 10 4.556 11.022 6.344 1.00 2.58 H new ATOM 0 HD23 LEU A 10 4.480 10.714 8.095 1.00 2.58 H new ATOM 130 N ALA A 11 3.532 5.724 8.180 1.00 1.78 N ATOM 131 CA ALA A 11 2.904 4.414 8.036 1.00 2.22 C ATOM 132 C ALA A 11 1.667 4.285 8.920 1.00 2.09 C ATOM 133 O ALA A 11 0.652 3.726 8.505 1.00 2.30 O ATOM 134 CB ALA A 11 3.903 3.316 8.366 1.00 2.84 C ATOM 0 H ALA A 11 4.419 5.713 8.684 1.00 1.78 H new ATOM 0 HA ALA A 11 2.584 4.309 6.999 1.00 2.22 H new ATOM 0 HB1 ALA A 11 3.424 2.343 8.255 1.00 2.84 H new ATOM 0 HB2 ALA A 11 4.753 3.381 7.687 1.00 2.84 H new ATOM 0 HB3 ALA A 11 4.249 3.435 9.393 1.00 2.84 H new ATOM 140 N LEU A 12 1.758 4.805 10.141 1.00 2.00 N ATOM 141 CA LEU A 12 0.647 4.744 11.086 1.00 2.17 C ATOM 142 C LEU A 12 -0.564 5.512 10.563 1.00 1.91 C ATOM 143 O LEU A 12 -1.695 5.266 10.983 1.00 2.14 O ATOM 144 CB LEU A 12 1.078 5.307 12.444 1.00 2.63 C ATOM 145 CG LEU A 12 -0.024 5.376 13.505 1.00 3.09 C ATOM 146 CD1 LEU A 12 -0.559 3.986 13.817 1.00 3.67 C ATOM 147 CD2 LEU A 12 0.498 6.044 14.768 1.00 3.46 C ATOM 0 H LEU A 12 2.590 5.274 10.499 1.00 2.00 H new ATOM 0 HA LEU A 12 0.362 3.699 11.205 1.00 2.17 H new ATOM 0 HB2 LEU A 12 1.893 4.695 12.830 1.00 2.63 H new ATOM 0 HB3 LEU A 12 1.477 6.310 12.293 1.00 2.63 H new ATOM 0 HG LEU A 12 -0.844 5.975 13.110 1.00 3.09 H new ATOM 0 HD11 LEU A 12 -1.341 4.058 14.573 1.00 3.67 H new ATOM 0 HD12 LEU A 12 -0.971 3.543 12.910 1.00 3.67 H new ATOM 0 HD13 LEU A 12 0.251 3.360 14.191 1.00 3.67 H new ATOM 0 HD21 LEU A 12 -0.297 6.086 15.513 1.00 3.46 H new ATOM 0 HD22 LEU A 12 1.336 5.470 15.163 1.00 3.46 H new ATOM 0 HD23 LEU A 12 0.829 7.056 14.534 1.00 3.46 H new ATOM 159 N LYS A 13 -0.320 6.437 9.641 1.00 1.79 N ATOM 160 CA LYS A 13 -1.393 7.242 9.068 1.00 2.05 C ATOM 161 C LYS A 13 -2.152 6.464 7.998 1.00 1.82 C ATOM 162 O LYS A 13 -3.330 6.724 7.748 1.00 2.14 O ATOM 163 CB LYS A 13 -0.824 8.531 8.474 1.00 2.54 C ATOM 164 CG LYS A 13 -1.890 9.515 8.020 1.00 3.11 C ATOM 165 CD LYS A 13 -1.278 10.832 7.575 1.00 3.66 C ATOM 166 CE LYS A 13 -2.348 11.848 7.210 1.00 4.38 C ATOM 167 NZ LYS A 13 -3.243 12.149 8.361 1.00 4.93 N ATOM 0 H LYS A 13 0.609 6.648 9.275 1.00 1.79 H new ATOM 0 HA LYS A 13 -2.092 7.493 9.866 1.00 2.05 H new ATOM 0 HB2 LYS A 13 -0.189 9.014 9.217 1.00 2.54 H new ATOM 0 HB3 LYS A 13 -0.188 8.280 7.625 1.00 2.54 H new ATOM 0 HG2 LYS A 13 -2.461 9.082 7.199 1.00 3.11 H new ATOM 0 HG3 LYS A 13 -2.591 9.695 8.835 1.00 3.11 H new ATOM 0 HD2 LYS A 13 -0.652 11.232 8.373 1.00 3.66 H new ATOM 0 HD3 LYS A 13 -0.629 10.661 6.716 1.00 3.66 H new ATOM 0 HE2 LYS A 13 -1.874 12.768 6.869 1.00 4.38 H new ATOM 0 HE3 LYS A 13 -2.941 11.468 6.378 1.00 4.38 H new ATOM 0 HZ1 LYS A 13 -3.787 13.013 8.161 1.00 4.93 H new ATOM 0 HZ2 LYS A 13 -3.897 11.354 8.509 1.00 4.93 H new ATOM 0 HZ3 LYS A 13 -2.671 12.291 9.218 1.00 4.93 H new ATOM 181 N LEU A 14 -1.475 5.508 7.371 1.00 1.64 N ATOM 182 CA LEU A 14 -2.090 4.693 6.328 1.00 1.80 C ATOM 183 C LEU A 14 -3.227 3.846 6.893 1.00 1.73 C ATOM 184 O LEU A 14 -4.080 3.362 6.148 1.00 1.92 O ATOM 185 CB LEU A 14 -1.039 3.791 5.672 1.00 2.37 C ATOM 186 CG LEU A 14 -1.554 2.901 4.537 1.00 2.77 C ATOM 187 CD1 LEU A 14 -2.057 3.748 3.378 1.00 3.27 C ATOM 188 CD2 LEU A 14 -0.463 1.947 4.070 1.00 3.08 C ATOM 0 H LEU A 14 -0.501 5.278 7.566 1.00 1.64 H new ATOM 0 HA LEU A 14 -2.505 5.363 5.575 1.00 1.80 H new ATOM 0 HB2 LEU A 14 -0.237 4.419 5.283 1.00 2.37 H new ATOM 0 HB3 LEU A 14 -0.601 3.154 6.440 1.00 2.37 H new ATOM 0 HG LEU A 14 -2.388 2.310 4.915 1.00 2.77 H new ATOM 0 HD11 LEU A 14 -2.419 3.097 2.582 1.00 3.27 H new ATOM 0 HD12 LEU A 14 -2.870 4.388 3.721 1.00 3.27 H new ATOM 0 HD13 LEU A 14 -1.243 4.367 2.999 1.00 3.27 H new ATOM 0 HD21 LEU A 14 -0.847 1.322 3.263 1.00 3.08 H new ATOM 0 HD22 LEU A 14 0.392 2.520 3.710 1.00 3.08 H new ATOM 0 HD23 LEU A 14 -0.152 1.315 4.902 1.00 3.08 H new ATOM 200 N ALA A 15 -3.235 3.677 8.212 1.00 1.91 N ATOM 201 CA ALA A 15 -4.266 2.890 8.880 1.00 2.49 C ATOM 202 C ALA A 15 -5.659 3.438 8.585 1.00 2.42 C ATOM 203 O ALA A 15 -6.644 2.699 8.600 1.00 2.94 O ATOM 204 CB ALA A 15 -4.018 2.859 10.379 1.00 3.13 C ATOM 0 H ALA A 15 -2.537 4.076 8.840 1.00 1.91 H new ATOM 0 HA ALA A 15 -4.216 1.873 8.492 1.00 2.49 H new ATOM 0 HB1 ALA A 15 -4.795 2.268 10.864 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -3.044 2.411 10.578 1.00 3.13 H new ATOM 0 HB3 ALA A 15 -4.036 3.876 10.772 1.00 3.13 H new ATOM 210 N GLY A 16 -5.734 4.738 8.318 1.00 2.11 N ATOM 211 CA GLY A 16 -7.012 5.362 8.024 1.00 2.47 C ATOM 212 C GLY A 16 -7.394 5.245 6.562 1.00 2.01 C ATOM 213 O GLY A 16 -7.084 6.126 5.759 1.00 2.42 O ATOM 0 H GLY A 16 -4.934 5.370 8.300 1.00 2.11 H new ATOM 0 HA2 GLY A 16 -7.787 4.901 8.636 1.00 2.47 H new ATOM 0 HA3 GLY A 16 -6.971 6.415 8.302 1.00 2.47 H new ATOM 217 N LEU A 17 -8.069 4.153 6.216 1.00 1.81 N ATOM 218 CA LEU A 17 -8.497 3.919 4.841 1.00 1.49 C ATOM 219 C LEU A 17 -9.636 2.904 4.801 1.00 1.60 C ATOM 220 O LEU A 17 -9.404 1.694 4.789 1.00 2.14 O ATOM 221 CB LEU A 17 -7.319 3.422 3.995 1.00 1.49 C ATOM 222 CG LEU A 17 -7.249 3.984 2.570 1.00 1.48 C ATOM 223 CD1 LEU A 17 -8.542 3.713 1.814 1.00 2.01 C ATOM 224 CD2 LEU A 17 -6.950 5.476 2.603 1.00 2.03 C ATOM 0 H LEU A 17 -8.332 3.415 6.870 1.00 1.81 H new ATOM 0 HA LEU A 17 -8.856 4.861 4.427 1.00 1.49 H new ATOM 0 HB2 LEU A 17 -6.392 3.671 4.512 1.00 1.49 H new ATOM 0 HB3 LEU A 17 -7.369 2.335 3.936 1.00 1.49 H new ATOM 0 HG LEU A 17 -6.439 3.479 2.043 1.00 1.48 H new ATOM 0 HD11 LEU A 17 -8.467 4.122 0.806 1.00 2.01 H new ATOM 0 HD12 LEU A 17 -8.712 2.638 1.758 1.00 2.01 H new ATOM 0 HD13 LEU A 17 -9.374 4.185 2.336 1.00 2.01 H new ATOM 0 HD21 LEU A 17 -6.903 5.860 1.584 1.00 2.03 H new ATOM 0 HD22 LEU A 17 -7.738 5.993 3.150 1.00 2.03 H new ATOM 0 HD23 LEU A 17 -5.994 5.645 3.098 1.00 2.03 H new ATOM 236 N ASP A 18 -10.866 3.407 4.783 1.00 1.65 N ATOM 237 CA ASP A 18 -12.043 2.547 4.749 1.00 2.11 C ATOM 238 C ASP A 18 -13.006 2.990 3.654 1.00 1.91 C ATOM 239 O ASP A 18 -13.191 4.186 3.427 1.00 2.04 O ATOM 240 CB ASP A 18 -12.751 2.567 6.106 1.00 2.91 C ATOM 241 CG ASP A 18 -11.861 2.081 7.233 1.00 3.44 C ATOM 242 OD1 ASP A 18 -11.099 2.902 7.784 1.00 3.79 O ATOM 243 OD2 ASP A 18 -11.928 0.879 7.565 1.00 3.92 O ATOM 0 H ASP A 18 -11.073 4.406 4.791 1.00 1.65 H new ATOM 0 HA ASP A 18 -11.716 1.530 4.531 1.00 2.11 H new ATOM 0 HB2 ASP A 18 -13.085 3.582 6.323 1.00 2.91 H new ATOM 0 HB3 ASP A 18 -13.643 1.942 6.056 1.00 2.91 H new ATOM 248 N ILE A 19 -13.609 2.021 2.971 1.00 2.16 N ATOM 249 CA ILE A 19 -14.558 2.318 1.905 1.00 2.28 C ATOM 250 C ILE A 19 -15.801 1.439 2.025 1.00 2.90 C ATOM 251 O ILE A 19 -16.036 0.560 1.196 1.00 3.25 O ATOM 252 CB ILE A 19 -13.931 2.115 0.509 1.00 2.05 C ATOM 253 CG1 ILE A 19 -12.531 2.729 0.455 1.00 1.84 C ATOM 254 CG2 ILE A 19 -14.822 2.726 -0.563 1.00 2.78 C ATOM 255 CD1 ILE A 19 -11.776 2.407 -0.817 1.00 1.64 C ATOM 0 H ILE A 19 -13.457 1.026 3.137 1.00 2.16 H new ATOM 0 HA ILE A 19 -14.838 3.366 2.014 1.00 2.28 H new ATOM 0 HB ILE A 19 -13.844 1.045 0.320 1.00 2.05 H new ATOM 0 HG12 ILE A 19 -12.614 3.811 0.554 1.00 1.84 H new ATOM 0 HG13 ILE A 19 -11.955 2.374 1.309 1.00 1.84 H new ATOM 0 HG21 ILE A 19 -14.368 2.576 -1.543 1.00 2.78 H new ATOM 0 HG22 ILE A 19 -15.801 2.247 -0.539 1.00 2.78 H new ATOM 0 HG23 ILE A 19 -14.936 3.794 -0.376 1.00 2.78 H new ATOM 0 HD11 ILE A 19 -10.792 2.875 -0.785 1.00 1.64 H new ATOM 0 HD12 ILE A 19 -11.661 1.327 -0.908 1.00 1.64 H new ATOM 0 HD13 ILE A 19 -12.331 2.787 -1.675 1.00 1.64 H new ATOM 267 N ASN A 20 -16.592 1.681 3.067 1.00 3.46 N ATOM 268 CA ASN A 20 -17.809 0.909 3.299 1.00 4.28 C ATOM 269 C ASN A 20 -18.980 1.825 3.644 1.00 4.91 C ATOM 270 O ASN A 20 -18.802 2.870 4.269 1.00 5.31 O ATOM 271 CB ASN A 20 -17.592 -0.105 4.424 1.00 4.79 C ATOM 272 CG ASN A 20 -17.270 0.556 5.751 1.00 5.35 C ATOM 273 OD1 ASN A 20 -16.679 1.635 5.794 1.00 5.63 O ATOM 274 ND2 ASN A 20 -17.659 -0.091 6.844 1.00 5.95 N ATOM 0 H ASN A 20 -16.412 2.405 3.763 1.00 3.46 H new ATOM 0 HA ASN A 20 -18.048 0.375 2.379 1.00 4.28 H new ATOM 0 HB2 ASN A 20 -18.488 -0.716 4.535 1.00 4.79 H new ATOM 0 HB3 ASN A 20 -16.779 -0.777 4.150 1.00 4.79 H new ATOM 0 HD21 ASN A 20 -17.470 0.305 7.765 1.00 5.95 H new ATOM 0 HD22 ASN A 20 -18.146 -0.983 6.762 1.00 5.95 H new ATOM 281 N LYS A 21 -20.178 1.422 3.227 1.00 5.40 N ATOM 282 CA LYS A 21 -21.386 2.199 3.488 1.00 6.25 C ATOM 283 C LYS A 21 -22.600 1.277 3.569 1.00 6.80 C ATOM 284 O LYS A 21 -23.268 1.029 2.566 1.00 7.04 O ATOM 285 CB LYS A 21 -21.590 3.249 2.388 1.00 6.80 C ATOM 286 CG LYS A 21 -22.438 4.441 2.814 1.00 7.47 C ATOM 287 CD LYS A 21 -23.902 4.065 2.985 1.00 8.15 C ATOM 288 CE LYS A 21 -24.734 5.254 3.434 1.00 8.86 C ATOM 289 NZ LYS A 21 -24.698 6.364 2.443 1.00 9.39 N ATOM 0 H LYS A 21 -20.338 0.560 2.706 1.00 5.40 H new ATOM 0 HA LYS A 21 -21.272 2.711 4.443 1.00 6.25 H new ATOM 0 HB2 LYS A 21 -20.615 3.609 2.060 1.00 6.80 H new ATOM 0 HB3 LYS A 21 -22.060 2.772 1.528 1.00 6.80 H new ATOM 0 HG2 LYS A 21 -22.055 4.842 3.752 1.00 7.47 H new ATOM 0 HG3 LYS A 21 -22.351 5.232 2.070 1.00 7.47 H new ATOM 0 HD2 LYS A 21 -24.293 3.682 2.042 1.00 8.15 H new ATOM 0 HD3 LYS A 21 -23.989 3.262 3.717 1.00 8.15 H new ATOM 0 HE2 LYS A 21 -25.766 4.938 3.587 1.00 8.86 H new ATOM 0 HE3 LYS A 21 -24.365 5.613 4.395 1.00 8.86 H new ATOM 0 HZ1 LYS A 21 -25.428 7.065 2.681 1.00 9.39 H new ATOM 0 HZ2 LYS A 21 -23.762 6.818 2.464 1.00 9.39 H new ATOM 0 HZ3 LYS A 21 -24.878 5.986 1.491 1.00 9.39 H new ATOM 303 N THR A 22 -22.872 0.771 4.772 1.00 7.34 N ATOM 304 CA THR A 22 -24.002 -0.130 5.003 1.00 8.15 C ATOM 305 C THR A 22 -23.963 -1.326 4.054 1.00 8.74 C ATOM 306 O THR A 22 -23.020 -1.480 3.276 1.00 8.97 O ATOM 307 CB THR A 22 -25.357 0.593 4.853 1.00 8.62 C ATOM 308 OG1 THR A 22 -25.570 0.976 3.490 1.00 8.94 O ATOM 309 CG2 THR A 22 -25.414 1.825 5.742 1.00 8.92 C ATOM 0 H THR A 22 -22.321 0.971 5.607 1.00 7.34 H new ATOM 0 HA THR A 22 -23.908 -0.483 6.030 1.00 8.15 H new ATOM 0 HB THR A 22 -26.142 -0.098 5.159 1.00 8.62 H new ATOM 0 HG1 THR A 22 -24.758 0.799 2.970 1.00 8.94 H new ATOM 0 HG21 THR A 22 -26.378 2.318 5.619 1.00 8.92 H new ATOM 0 HG22 THR A 22 -25.288 1.528 6.783 1.00 8.92 H new ATOM 0 HG23 THR A 22 -24.616 2.513 5.462 1.00 8.92 H new ATOM 317 N GLU A 23 -24.995 -2.170 4.131 1.00 9.21 N ATOM 318 CA GLU A 23 -25.100 -3.365 3.288 1.00 9.98 C ATOM 319 C GLU A 23 -23.736 -4.018 3.059 1.00 10.65 C ATOM 320 O GLU A 23 -23.204 -3.999 1.948 1.00 10.93 O ATOM 321 CB GLU A 23 -25.765 -3.027 1.946 1.00 10.36 C ATOM 322 CG GLU A 23 -25.093 -1.891 1.187 1.00 10.79 C ATOM 323 CD GLU A 23 -25.756 -1.609 -0.145 1.00 11.31 C ATOM 324 OE1 GLU A 23 -26.690 -0.779 -0.179 1.00 11.67 O ATOM 325 OE2 GLU A 23 -25.343 -2.215 -1.156 1.00 11.54 O ATOM 0 H GLU A 23 -25.777 -2.046 4.775 1.00 9.21 H new ATOM 0 HA GLU A 23 -25.726 -4.083 3.818 1.00 9.98 H new ATOM 0 HB2 GLU A 23 -25.766 -3.918 1.319 1.00 10.36 H new ATOM 0 HB3 GLU A 23 -26.807 -2.763 2.126 1.00 10.36 H new ATOM 0 HG2 GLU A 23 -25.114 -0.988 1.798 1.00 10.79 H new ATOM 0 HG3 GLU A 23 -24.045 -2.139 1.022 1.00 10.79 H new ATOM 332 N GLY A 24 -23.179 -4.598 4.120 1.00 11.11 N ATOM 333 CA GLY A 24 -21.881 -5.244 4.019 1.00 11.93 C ATOM 334 C GLY A 24 -21.983 -6.756 4.015 1.00 12.65 C ATOM 335 O GLY A 24 -21.889 -7.387 2.961 1.00 12.86 O ATOM 0 H GLY A 24 -23.603 -4.632 5.047 1.00 11.11 H new ATOM 0 HA2 GLY A 24 -21.385 -4.914 3.106 1.00 11.93 H new ATOM 0 HA3 GLY A 24 -21.256 -4.928 4.854 1.00 11.93 H new ATOM 339 N GLU A 25 -22.176 -7.338 5.194 1.00 13.21 N ATOM 340 CA GLU A 25 -22.290 -8.786 5.323 1.00 14.07 C ATOM 341 C GLU A 25 -23.653 -9.269 4.838 1.00 14.60 C ATOM 342 O GLU A 25 -23.904 -10.471 4.759 1.00 14.82 O ATOM 343 CB GLU A 25 -22.076 -9.205 6.778 1.00 14.52 C ATOM 344 CG GLU A 25 -20.736 -8.764 7.345 1.00 14.78 C ATOM 345 CD GLU A 25 -20.576 -9.116 8.810 1.00 15.09 C ATOM 346 OE1 GLU A 25 -20.973 -8.297 9.665 1.00 15.37 O ATOM 347 OE2 GLU A 25 -20.052 -10.212 9.104 1.00 15.18 O ATOM 0 H GLU A 25 -22.257 -6.829 6.074 1.00 13.21 H new ATOM 0 HA GLU A 25 -21.520 -9.244 4.702 1.00 14.07 H new ATOM 0 HB2 GLU A 25 -22.876 -8.787 7.390 1.00 14.52 H new ATOM 0 HB3 GLU A 25 -22.153 -10.290 6.851 1.00 14.52 H new ATOM 0 HG2 GLU A 25 -19.933 -9.230 6.774 1.00 14.78 H new ATOM 0 HG3 GLU A 25 -20.631 -7.686 7.221 1.00 14.78 H new ATOM 354 N GLU A 26 -24.527 -8.324 4.512 1.00 14.96 N ATOM 355 CA GLU A 26 -25.865 -8.652 4.034 1.00 15.63 C ATOM 356 C GLU A 26 -25.919 -8.627 2.510 1.00 16.22 C ATOM 357 O GLU A 26 -26.230 -9.635 1.875 1.00 16.54 O ATOM 358 CB GLU A 26 -26.888 -7.671 4.609 1.00 15.83 C ATOM 359 CG GLU A 26 -26.890 -7.618 6.128 1.00 16.01 C ATOM 360 CD GLU A 26 -27.192 -8.964 6.759 1.00 16.27 C ATOM 361 OE1 GLU A 26 -26.236 -9.728 7.012 1.00 16.36 O ATOM 362 OE2 GLU A 26 -28.382 -9.255 6.998 1.00 16.51 O ATOM 0 H GLU A 26 -24.333 -7.324 4.570 1.00 14.96 H new ATOM 0 HA GLU A 26 -26.109 -9.659 4.371 1.00 15.63 H new ATOM 0 HB2 GLU A 26 -26.683 -6.674 4.219 1.00 15.83 H new ATOM 0 HB3 GLU A 26 -27.883 -7.951 4.262 1.00 15.83 H new ATOM 0 HG2 GLU A 26 -25.919 -7.267 6.477 1.00 16.01 H new ATOM 0 HG3 GLU A 26 -27.630 -6.890 6.461 1.00 16.01 H new ATOM 369 N CYS A 27 -25.613 -7.467 1.932 1.00 16.52 N ATOM 370 CA CYS A 27 -25.626 -7.299 0.481 1.00 17.22 C ATOM 371 C CYS A 27 -27.000 -7.626 -0.097 1.00 17.60 C ATOM 372 O CYS A 27 -27.222 -8.798 -0.469 1.00 17.78 O ATOM 373 CB CYS A 27 -24.558 -8.182 -0.170 1.00 17.58 C ATOM 374 SG CYS A 27 -24.485 -8.040 -1.971 1.00 17.93 S ATOM 375 OXT CYS A 27 -27.843 -6.708 -0.172 1.00 17.86 O ATOM 0 H CYS A 27 -25.352 -6.627 2.449 1.00 16.52 H new ATOM 0 HA CYS A 27 -25.403 -6.255 0.263 1.00 17.22 H new ATOM 0 HB2 CYS A 27 -23.584 -7.922 0.245 1.00 17.58 H new ATOM 0 HB3 CYS A 27 -24.750 -9.222 0.095 1.00 17.58 H new ATOM 0 HG CYS A 27 -23.553 -8.821 -2.430 1.00 17.93 H new TER 381 CYS A 27 ATOM 382 N ILE B 504 6.402 10.438 -13.691 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.963 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.641 10.157 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.579 -12.300 1.00 0.00 O ATOM 386 CB ILE B 504 7.762 12.436 -13.120 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.203 12.569 -11.692 1.00 1.30 C ATOM 388 CG2 ILE B 504 6.975 13.298 -14.095 1.00 1.33 C ATOM 389 CD1 ILE B 504 5.702 12.380 -11.580 1.00 2.13 C ATOM 0 HA ILE B 504 8.176 10.887 -14.591 1.00 0.00 H new ATOM 0 HB ILE B 504 8.794 12.787 -13.102 1.00 0.03 H new ATOM 0 HG12 ILE B 504 7.697 11.837 -11.053 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.461 13.555 -11.305 1.00 1.30 H new ATOM 0 HG21 ILE B 504 6.984 14.333 -13.754 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.430 13.237 -15.084 1.00 1.33 H new ATOM 0 HG23 ILE B 504 5.946 12.942 -14.147 1.00 1.33 H new ATOM 0 HD11 ILE B 504 5.398 12.491 -10.539 1.00 2.13 H new ATOM 0 HD12 ILE B 504 5.195 13.129 -12.188 1.00 2.13 H new ATOM 0 HD13 ILE B 504 5.433 11.384 -11.932 1.00 2.13 H new ATOM 403 N SER B 505 8.154 8.984 -12.247 1.00 0.00 N ATOM 404 CA SER B 505 8.935 8.045 -11.435 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.502 7.337 -13.131 1.00 0.00 O ATOM 407 CB SER B 505 8.194 6.713 -11.318 1.00 0.00 C ATOM 408 OG SER B 505 7.960 6.144 -12.594 1.00 1.29 O ATOM 0 H SER B 505 7.215 8.656 -12.475 1.00 0.00 H new ATOM 0 HA SER B 505 9.053 8.496 -10.449 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.777 6.022 -10.710 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.244 6.866 -10.805 1.00 0.00 H new ATOM 0 HG SER B 505 8.713 6.349 -13.187 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.217 1.00 0.00 N ATOM 415 CA GLY B 506 12.728 7.975 -11.662 1.00 0.00 C ATOM 416 C GLY B 506 13.331 9.211 -12.323 1.00 0.00 C ATOM 417 O GLY B 506 14.478 9.167 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.258 8.524 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.344 7.699 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.770 7.144 -12.366 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.547 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.492 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.523 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.026 12.258 -13.763 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.356 -12.084 1.00 0.00 H new ATOM 0 HA ALA B 507 13.935 11.279 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.430 13.182 -14.175 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.694 11.612 -14.576 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.180 12.489 -13.115 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.126 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.004 -8.718 1.00 0.00 C ATOM 434 O MET B 508 15.078 10.781 -8.819 1.00 0.00 O ATOM 435 CB MET B 508 12.908 13.263 -8.498 1.00 0.01 C ATOM 436 CG MET B 508 11.971 14.317 -9.065 1.00 0.47 C ATOM 437 SD MET B 508 10.912 13.680 -10.377 1.00 1.65 S ATOM 438 CE MET B 508 10.007 12.413 -9.494 1.00 2.21 C ATOM 0 H MET B 508 12.872 11.325 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.519 13.724 -9.860 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.326 12.384 -8.220 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.362 13.647 -7.584 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.349 14.712 -8.262 1.00 0.47 H new ATOM 0 HG3 MET B 508 12.559 15.149 -9.452 1.00 0.47 H new ATOM 0 HE1 MET B 508 10.162 11.450 -9.980 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.363 12.362 -8.465 1.00 2.21 H new ATOM 0 HE3 MET B 508 8.944 12.655 -9.499 1.00 2.21 H new ATOM 448 N HIS B 509 15.906 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.893 12.033 -7.079 1.00 0.00 C ATOM 450 C HIS B 509 16.164 11.350 -5.921 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.946 -5.317 1.00 0.00 O ATOM 452 CB HIS B 509 17.900 13.054 -6.543 1.00 0.00 C ATOM 453 CG HIS B 509 18.976 12.448 -5.694 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.992 12.542 -4.319 1.00 2.01 N ATOM 455 CD2 HIS B 509 20.079 11.738 -6.034 1.00 1.87 C ATOM 456 CE1 HIS B 509 20.057 11.918 -3.848 1.00 2.67 C ATOM 457 NE2 HIS B 509 20.732 11.421 -4.869 1.00 2.55 N ATOM 0 H HIS B 509 15.933 13.702 -7.912 1.00 0.00 H new ATOM 0 HA HIS B 509 17.444 11.290 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS B 509 18.361 13.573 -7.384 1.00 0.00 H new ATOM 0 HB3 HIS B 509 17.368 13.805 -5.959 1.00 0.00 H new ATOM 0 HD2 HIS B 509 20.387 11.471 -7.034 1.00 1.87 H new ATOM 0 HE1 HIS B 509 20.329 11.829 -2.807 1.00 2.67 H new ATOM 0 HE2 HIS B 509 21.599 10.888 -4.802 1.00 2.55 H new ATOM 466 N GLU B 510 16.540 10.104 -5.622 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.285 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.057 -3.385 1.00 0.00 C ATOM 469 O GLU B 510 14.346 9.831 -2.816 1.00 0.00 O ATOM 470 CB GLU B 510 16.709 8.095 -4.235 1.00 0.01 C ATOM 471 CG GLU B 510 17.078 7.188 -5.397 1.00 1.38 C ATOM 472 CD GLU B 510 18.048 6.094 -4.996 1.00 2.04 C ATOM 473 OE1 GLU B 510 17.590 5.060 -4.467 1.00 2.52 O ATOM 474 OE2 GLU B 510 19.265 6.273 -5.207 1.00 2.66 O ATOM 0 H GLU B 510 17.338 9.638 -6.054 1.00 0.00 H new ATOM 0 HA GLU B 510 14.916 8.948 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU B 510 17.623 8.467 -3.771 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.184 7.509 -3.480 1.00 0.01 H new ATOM 0 HG2 GLU B 510 16.173 6.736 -5.802 1.00 1.38 H new ATOM 0 HG3 GLU B 510 17.520 7.786 -6.194 1.00 1.38 H new ATOM 481 N GLU B 511 16.274 10.995 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.771 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.161 13.020 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.382 12.466 -1.371 1.00 0.01 C ATOM 486 CG GLU B 511 17.277 13.280 -0.092 1.00 1.31 C ATOM 487 CD GLU B 511 18.588 13.940 0.289 1.00 1.88 C ATOM 488 OE1 GLU B 511 18.835 15.076 -0.168 1.00 2.44 O ATOM 489 OE2 GLU B 511 19.366 13.322 1.046 1.00 2.41 O ATOM 0 H GLU B 511 17.122 11.236 -3.501 1.00 0.00 H new ATOM 0 HA GLU B 511 15.770 11.087 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU B 511 18.158 11.710 -1.247 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.701 13.120 -2.182 1.00 0.01 H new ATOM 0 HG2 GLU B 511 16.511 14.046 -0.215 1.00 1.31 H new ATOM 0 HG3 GLU B 511 16.951 12.631 0.721 1.00 1.31 H new ATOM 496 N ASP B 512 14.948 13.486 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.416 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.577 1.00 0.00 C ATOM 499 O ASP B 512 11.475 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.130 15.141 -4.701 1.00 0.00 C ATOM 501 CG ASP B 512 15.332 16.054 -4.556 1.00 1.11 C ATOM 502 OD1 ASP B 512 15.178 17.150 -3.975 1.00 1.03 O ATOM 503 OD2 ASP B 512 16.426 15.674 -5.022 1.00 2.08 O ATOM 0 H ASP B 512 15.680 13.437 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.698 15.073 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.307 14.437 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.258 15.734 -4.977 1.00 0.00 H new ATOM 508 N GLU B 513 12.673 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.567 11.495 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.042 10.198 -5.044 1.00 0.01 C ATOM 513 CG GLU B 513 12.473 10.373 -6.489 1.00 1.13 C ATOM 514 CD GLU B 513 12.859 9.062 -7.143 1.00 1.38 C ATOM 515 OE1 GLU B 513 11.952 8.342 -7.611 1.00 1.92 O ATOM 516 OE2 GLU B 513 14.069 8.752 -7.186 1.00 1.88 O ATOM 0 H GLU B 513 13.555 12.066 -4.584 1.00 0.00 H new ATOM 0 HA GLU B 513 10.846 11.984 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.877 9.794 -4.471 1.00 0.01 H new ATOM 0 HB3 GLU B 513 11.239 9.462 -4.999 1.00 0.01 H new ATOM 0 HG2 GLU B 513 11.661 10.832 -7.054 1.00 1.13 H new ATOM 0 HG3 GLU B 513 13.319 11.059 -6.532 1.00 1.13 H new ATOM 523 N LYS B 514 11.666 10.835 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.178 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.279 10.220 0.245 1.00 0.03 C ATOM 528 CG LYS B 514 13.085 8.979 -0.111 1.00 1.17 C ATOM 529 CD LYS B 514 14.323 8.851 0.762 1.00 1.23 C ATOM 530 CE LYS B 514 15.179 7.662 0.351 1.00 2.02 C ATOM 531 NZ LYS B 514 14.467 6.369 0.542 1.00 2.73 N ATOM 0 H LYS B 514 12.681 10.769 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.509 9.627 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.948 11.080 0.275 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.869 10.100 1.248 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.462 8.093 0.007 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.380 9.024 -1.159 1.00 1.17 H new ATOM 0 HD2 LYS B 514 14.913 9.765 0.694 1.00 1.23 H new ATOM 0 HD3 LYS B 514 14.024 8.741 1.804 1.00 1.23 H new ATOM 0 HE2 LYS B 514 15.466 7.767 -0.695 1.00 2.02 H new ATOM 0 HE3 LYS B 514 16.099 7.659 0.935 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 15.021 5.601 0.111 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 14.350 6.184 1.559 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 13.532 6.417 0.089 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.936 14.768 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.139 15.216 0.448 1.00 0.02 C ATOM 550 CG ARG B 515 10.504 16.512 0.924 1.00 1.32 C ATOM 551 CD ARG B 515 10.028 17.362 -0.244 1.00 1.65 C ATOM 552 NE ARG B 515 11.131 17.763 -1.113 1.00 2.20 N ATOM 553 CZ ARG B 515 10.995 18.579 -2.155 1.00 2.85 C ATOM 554 NH1 ARG B 515 9.804 19.076 -2.465 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.052 18.900 -2.889 1.00 3.75 N ATOM 0 H ARG B 515 11.823 13.002 -0.372 1.00 0.00 H new ATOM 0 HA ARG B 515 9.937 13.798 1.529 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.013 15.003 1.064 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.494 15.350 -0.574 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.662 16.287 1.578 1.00 1.32 H new ATOM 0 HG3 ARG B 515 11.225 17.076 1.515 1.00 1.32 H new ATOM 0 HD2 ARG B 515 9.294 16.803 -0.824 1.00 1.65 H new ATOM 0 HD3 ARG B 515 9.524 18.251 0.136 1.00 1.65 H new ATOM 0 HE ARG B 515 12.061 17.396 -0.909 1.00 2.20 H new ATOM 0 HH11 ARG B 515 8.988 18.833 -1.903 1.00 3.02 H new ATOM 0 HH12 ARG B 515 9.705 19.701 -3.265 1.00 3.02 H new ATOM 0 HH21 ARG B 515 12.970 18.521 -2.655 1.00 3.75 H new ATOM 0 HH22 ARG B 515 11.947 19.526 -3.688 1.00 3.75 H new ATOM 569 N PHE B 516 8.960 14.084 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.888 -2.146 1.00 0.00 O ATOM 573 CB PHE B 516 8.337 14.498 -3.874 1.00 0.01 C ATOM 574 CG PHE B 516 7.280 14.966 -4.837 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.079 16.319 -5.059 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.491 14.054 -5.519 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.110 16.753 -5.944 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.520 14.482 -6.405 1.00 1.70 C ATOM 579 CZ PHE B 516 5.329 15.833 -6.617 1.00 1.89 C ATOM 0 H PHE B 516 9.742 13.634 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.530 15.453 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.202 15.156 -3.951 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.667 13.502 -4.168 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.686 17.042 -4.535 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.636 12.996 -5.357 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.963 17.810 -6.109 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.912 13.761 -6.931 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.570 16.170 -7.308 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.190 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.060 1.00 0.00 C ATOM 591 C LEU B 517 5.450 11.159 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.790 -0.494 1.00 0.00 O ATOM 593 CB LEU B 517 6.668 9.775 -2.343 1.00 0.02 C ATOM 594 CG LEU B 517 6.607 9.312 -3.804 1.00 1.00 C ATOM 595 CD1 LEU B 517 5.163 9.166 -4.261 1.00 1.77 C ATOM 596 CD2 LEU B 517 7.356 10.281 -4.709 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.848 -2.390 1.00 0.00 H new ATOM 0 HA LEU B 517 5.234 11.335 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.712 9.798 -2.031 1.00 0.02 H new ATOM 0 HB3 LEU B 517 6.166 9.032 -1.723 1.00 0.02 H new ATOM 0 HG LEU B 517 7.090 8.337 -3.871 1.00 1.00 H new ATOM 0 HD11 LEU B 517 5.142 8.837 -5.300 1.00 1.77 H new ATOM 0 HD12 LEU B 517 4.656 8.430 -3.637 1.00 1.77 H new ATOM 0 HD13 LEU B 517 4.655 10.126 -4.174 1.00 1.77 H new ATOM 0 HD21 LEU B 517 7.300 9.933 -5.740 1.00 1.90 H new ATOM 0 HD22 LEU B 517 6.905 11.271 -4.635 1.00 1.90 H new ATOM 0 HD23 LEU B 517 8.400 10.334 -4.400 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.560 0.338 1.00 0.00 N ATOM 609 CA VAL B 518 5.647 11.607 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.590 12.697 1.721 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.541 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.701 11.835 2.778 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.694 10.684 2.813 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.419 13.158 2.585 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.845 0.261 1.00 0.00 H new ATOM 0 HA VAL B 518 5.202 10.632 1.874 1.00 0.00 H new ATOM 0 HB VAL B 518 6.183 11.873 3.736 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.429 10.862 3.598 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.165 9.753 3.016 1.00 1.40 H new ATOM 0 HG13 VAL B 518 8.201 10.611 1.851 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.155 13.291 3.378 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.922 13.161 1.618 1.00 1.40 H new ATOM 0 HG23 VAL B 518 6.696 13.973 2.620 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.992 1.00 0.00 N ATOM 625 CA THR B 519 3.884 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.081 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.553 16.151 0.334 1.00 0.02 C ATOM 629 OG1 THR B 519 5.731 16.473 1.082 1.00 1.10 O ATOM 630 CG2 THR B 519 3.597 17.336 0.355 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.919 0.439 1.00 0.00 H new ATOM 0 HA THR B 519 3.565 15.087 1.945 1.00 0.00 H new ATOM 0 HB THR B 519 4.823 15.940 -0.701 1.00 0.02 H new ATOM 0 HG1 THR B 519 6.463 15.881 0.810 1.00 1.10 H new ATOM 0 HG21 THR B 519 4.093 18.211 -0.064 1.00 1.18 H new ATOM 0 HG22 THR B 519 2.713 17.101 -0.238 1.00 1.18 H new ATOM 0 HG23 THR B 519 3.299 17.545 1.383 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.730 12.563 -1.305 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.779 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.277 12.916 -3.246 1.00 0.03 C ATOM 643 CG1 VAL B 520 2.719 11.471 -3.085 1.00 1.21 C ATOM 644 CG2 VAL B 520 1.211 13.032 -4.325 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.282 14.458 -2.123 1.00 0.00 H new ATOM 0 HB VAL B 520 3.148 13.497 -3.550 1.00 0.03 H new ATOM 0 HG11 VAL B 520 3.077 11.091 -4.042 1.00 1.21 H new ATOM 0 HG12 VAL B 520 3.522 11.416 -2.350 1.00 1.21 H new ATOM 0 HG13 VAL B 520 1.876 10.868 -2.748 1.00 1.21 H new ATOM 0 HG21 VAL B 520 1.591 12.616 -5.258 1.00 1.22 H new ATOM 0 HG22 VAL B 520 0.321 12.482 -4.018 1.00 1.22 H new ATOM 0 HG23 VAL B 520 0.956 14.081 -4.473 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.516 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.778 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.711 1.00 0.00 O ATOM 658 CB ILE B 521 1.037 9.142 -0.065 1.00 0.02 C ATOM 659 CG1 ILE B 521 0.052 8.029 0.314 1.00 1.41 C ATOM 660 CG2 ILE B 521 2.220 9.156 0.893 1.00 1.40 C ATOM 661 CD1 ILE B 521 0.657 6.641 0.277 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.394 -0.396 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.536 10.534 -0.723 1.00 0.00 H new ATOM 0 HB ILE B 521 1.406 8.944 -1.071 1.00 0.02 H new ATOM 0 HG12 ILE B 521 -0.332 8.222 1.316 1.00 1.41 H new ATOM 0 HG13 ILE B 521 -0.799 8.063 -0.366 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.709 8.182 0.882 1.00 1.40 H new ATOM 0 HG22 ILE B 521 2.930 9.922 0.583 1.00 1.40 H new ATOM 0 HG23 ILE B 521 1.869 9.374 1.902 1.00 1.40 H new ATOM 0 HD11 ILE B 521 -0.099 5.907 0.557 1.00 1.98 H new ATOM 0 HD12 ILE B 521 1.016 6.427 -0.730 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.490 6.589 0.978 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.556 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.086 11.987 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.283 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.094 1.00 0.00 O ATOM 677 CB LYS B 522 1.156 12.820 4.174 1.00 0.01 C ATOM 678 CG LYS B 522 0.768 13.237 5.588 1.00 1.10 C ATOM 679 CD LYS B 522 0.058 14.586 5.611 1.00 1.37 C ATOM 680 CE LYS B 522 0.999 15.723 5.245 1.00 2.02 C ATOM 681 NZ LYS B 522 2.111 15.863 6.226 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.900 1.890 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.116 11.111 4.076 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.082 12.247 4.215 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.361 13.714 3.585 1.00 0.01 H new ATOM 0 HG2 LYS B 522 0.119 12.478 6.024 1.00 1.10 H new ATOM 0 HG3 LYS B 522 1.662 13.287 6.209 1.00 1.10 H new ATOM 0 HD2 LYS B 522 -0.780 14.568 4.914 1.00 1.37 H new ATOM 0 HD3 LYS B 522 -0.357 14.762 6.603 1.00 1.37 H new ATOM 0 HE2 LYS B 522 1.412 15.547 4.252 1.00 2.02 H new ATOM 0 HE3 LYS B 522 0.438 16.657 5.196 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 2.576 16.784 6.094 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 1.731 15.802 7.192 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 2.803 15.101 6.077 1.00 2.57 H new ATOM 695 N ASP B 523 -1.243 13.555 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.763 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.201 1.00 0.00 O ATOM 699 CB ASP B 523 -1.952 15.706 1.299 1.00 0.01 C ATOM 700 CG ASP B 523 -3.106 16.652 1.025 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.443 17.452 1.923 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.673 16.591 -0.087 1.00 2.17 O ATOM 0 H ASP B 523 -0.520 13.599 1.480 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.839 14.581 2.949 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.223 16.204 1.938 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.447 15.474 0.361 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.737 0.329 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.068 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.593 11.019 -1.396 1.00 0.04 C ATOM 712 CG LEU B 524 -3.116 11.742 -2.657 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.374 10.781 -3.571 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.293 12.373 -3.388 1.00 1.36 C ATOM 0 H LEU B 524 -2.232 12.457 0.126 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.939 12.570 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.746 10.493 -0.957 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.323 10.263 -1.685 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.430 12.536 -2.361 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -2.041 11.311 -4.463 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.509 10.375 -3.047 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -3.039 9.967 -3.859 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.935 12.883 -4.282 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -5.003 11.597 -3.673 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.785 13.092 -2.733 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.453 1.614 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.755 3.565 1.00 0.00 C ATOM 729 O LEU B 525 -6.737 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.586 9.301 3.694 1.00 0.02 C ATOM 731 CG LEU B 525 -2.787 8.115 3.150 1.00 1.09 C ATOM 732 CD1 LEU B 525 -1.611 7.802 4.064 1.00 1.76 C ATOM 733 CD2 LEU B 525 -3.683 6.896 2.994 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.395 1.540 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.298 8.949 2.445 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.899 10.125 3.884 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -4.017 9.018 4.654 1.00 0.02 H new ATOM 0 HG LEU B 525 -2.397 8.382 2.168 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -1.053 6.956 3.663 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -0.957 8.672 4.126 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -1.980 7.554 5.059 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.098 6.062 2.606 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -4.102 6.626 3.963 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -4.492 7.125 2.301 1.00 1.95 H new ATOM 745 N GLY B 526 -5.169 11.988 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.938 12.957 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.769 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.330 3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.551 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.338 13.851 4.674 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.476 2.452 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.741 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.463 12.768 1.561 1.00 0.00 O ATOM 756 CB LEU B 527 -7.797 14.012 0.157 1.00 0.01 C ATOM 757 CG LEU B 527 -7.150 15.379 -0.078 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.569 15.459 -1.481 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.163 16.493 0.142 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.417 1.952 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.753 14.625 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.088 13.238 -0.136 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.661 13.919 -0.501 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.339 15.504 0.639 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -6.113 16.438 -1.631 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.813 14.684 -1.607 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.364 15.313 -2.213 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.686 17.458 -0.029 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -8.994 16.371 -0.552 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.535 16.449 1.165 1.00 1.67 H new ATOM 771 N CYS B 528 -8.712 11.353 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.171 1.623 1.00 0.00 C ATOM 773 C CYS B 528 -10.504 10.117 2.797 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.879 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.679 8.908 1.601 1.00 0.04 C ATOM 776 SG CYS B 528 -9.629 7.369 1.585 1.00 0.59 S ATOM 0 H CYS B 528 -7.715 11.168 1.808 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.118 10.221 0.699 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.036 8.935 0.722 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.026 8.911 2.474 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.958 6.451 0.954 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.452 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.755 11.633 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.585 5.742 1.00 0.00 O ATOM 786 CB GLU B 529 -9.857 10.611 6.415 1.00 0.02 C ATOM 787 CG GLU B 529 -8.905 9.446 6.627 1.00 1.29 C ATOM 788 CD GLU B 529 -7.992 9.650 7.821 1.00 1.85 C ATOM 789 OE1 GLU B 529 -8.383 9.259 8.942 1.00 2.25 O ATOM 790 OE2 GLU B 529 -6.888 10.206 7.637 1.00 2.50 O ATOM 0 H GLU B 529 -8.960 10.445 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.350 9.535 5.273 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.277 11.527 6.307 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -10.476 10.729 7.304 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -9.481 8.531 6.767 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -8.300 9.308 5.731 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.305 1.00 0.00 C ATOM 799 C GLN B 530 -13.469 13.698 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.923 1.00 0.00 O ATOM 801 CB GLN B 530 -11.375 15.039 3.725 1.00 0.01 C ATOM 802 CG GLN B 530 -10.422 15.670 4.728 1.00 0.99 C ATOM 803 CD GLN B 530 -9.594 16.786 4.122 1.00 1.50 C ATOM 804 OE1 GLN B 530 -9.998 17.950 4.131 1.00 2.15 O ATOM 805 NE2 GLN B 530 -8.428 16.437 3.591 1.00 2.24 N ATOM 0 H GLN B 530 -10.516 12.720 3.876 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.525 14.133 5.318 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.802 14.669 2.875 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -12.049 15.806 3.345 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -10.993 16.062 5.570 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -9.757 14.903 5.124 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -8.133 15.461 3.606 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -7.828 17.145 3.169 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.795 1.00 0.00 C ATOM 817 O LYS B 531 -14.850 10.865 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.880 12.751 -0.074 1.00 0.03 C ATOM 819 CG LYS B 531 -13.082 13.893 -0.678 1.00 0.77 C ATOM 820 CD LYS B 531 -13.963 15.102 -0.955 1.00 1.35 C ATOM 821 CE LYS B 531 -13.161 16.249 -1.545 1.00 1.81 C ATOM 822 NZ LYS B 531 -12.088 16.711 -0.621 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.963 1.865 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.982 13.969 1.313 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.254 11.859 -0.040 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.724 12.524 -0.726 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.277 14.175 0.001 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.615 13.562 -1.605 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -14.761 14.823 -1.643 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -14.439 15.427 -0.030 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -12.716 15.933 -2.489 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -13.829 17.081 -1.770 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -11.735 17.638 -0.935 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -12.471 16.795 0.342 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -11.307 16.024 -0.624 1.00 2.28 H new ATOM 836 N ARG B 532 -16.622 12.149 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.590 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.045 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.883 10.828 -0.304 1.00 0.00 O ATOM 840 CB ARG B 532 -18.792 11.797 2.754 1.00 0.01 C ATOM 841 CG ARG B 532 -19.758 10.805 3.389 1.00 1.32 C ATOM 842 CD ARG B 532 -19.094 10.002 4.499 1.00 1.86 C ATOM 843 NE ARG B 532 -18.509 10.865 5.524 1.00 2.54 N ATOM 844 CZ ARG B 532 -17.702 10.425 6.485 1.00 3.32 C ATOM 845 NH1 ARG B 532 -17.393 9.137 6.563 1.00 3.60 N ATOM 846 NH2 ARG B 532 -17.205 11.275 7.374 1.00 4.21 N ATOM 0 H ARG B 532 -17.024 13.022 1.349 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.122 10.450 2.764 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -18.430 12.479 3.523 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.333 12.399 2.024 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -20.617 11.341 3.792 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -20.136 10.126 2.625 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -19.829 9.341 4.958 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -18.317 9.367 4.073 1.00 1.86 H new ATOM 0 HE ARG B 532 -18.732 11.860 5.501 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -17.775 8.479 5.884 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -16.773 8.805 7.302 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -17.442 12.266 7.320 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -16.586 10.938 8.111 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.070 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.352 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.882 -1.130 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.786 2.001 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.750 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.488 8.993 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.128 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.113 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.994 5.432 -2.532 1.00 0.00 C ATOM 870 O LYS B 534 -15.868 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.131 3.752 -1.046 1.00 0.02 C ATOM 872 CG LYS B 534 -19.544 3.777 -1.608 1.00 1.17 C ATOM 873 CD LYS B 534 -20.222 2.425 -1.474 1.00 1.67 C ATOM 874 CE LYS B 534 -21.650 2.464 -1.994 1.00 2.37 C ATOM 875 NZ LYS B 534 -21.702 2.785 -3.448 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.749 -0.055 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.527 5.097 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.538 3.030 -1.608 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.165 3.402 -0.014 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -20.131 4.532 -1.086 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.514 4.067 -2.658 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -19.653 1.676 -2.025 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.223 2.119 -0.428 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -22.127 1.500 -1.818 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -22.219 3.208 -1.437 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -22.669 2.637 -3.802 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -21.428 3.777 -3.594 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -21.046 2.165 -3.964 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.013 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.670 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.298 -4.619 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.625 7.244 -5.320 1.00 0.01 C ATOM 894 CG ASP B 535 -18.309 7.632 -6.750 1.00 1.35 C ATOM 895 OD1 ASP B 535 -17.689 8.696 -6.954 1.00 2.20 O ATOM 896 OD2 ASP B 535 -18.682 6.871 -7.668 1.00 1.82 O ATOM 0 H ASP B 535 -18.855 6.191 -3.088 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.293 5.559 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -19.540 6.652 -5.300 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.815 8.144 -4.735 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.038 9.193 -3.600 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.711 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.401 10.397 -2.728 1.00 0.07 C ATOM 906 CG ASN B 536 -14.643 11.651 -3.120 1.00 0.63 C ATOM 907 OD1 ASN B 536 -15.153 12.764 -2.985 1.00 1.38 O ATOM 908 ND2 ASN B 536 -13.419 11.482 -3.608 1.00 1.47 N ATOM 0 H ASN B 536 -17.005 8.580 -3.182 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.740 9.525 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -16.472 10.586 -2.803 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -15.191 10.162 -1.685 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -12.865 12.292 -3.887 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -13.033 10.543 -3.704 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.965 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.734 -2.026 1.00 0.00 O ATOM 919 CB LYS B 537 -13.563 6.374 0.050 1.00 0.03 C ATOM 920 CG LYS B 537 -14.219 7.357 1.007 1.00 0.81 C ATOM 921 CD LYS B 537 -14.668 6.668 2.285 1.00 1.12 C ATOM 922 CE LYS B 537 -15.300 7.649 3.258 1.00 1.82 C ATOM 923 NZ LYS B 537 -16.546 8.250 2.708 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.293 7.775 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.285 5.602 -0.215 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.739 5.878 0.562 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.517 8.155 1.249 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.077 7.823 0.522 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.384 5.883 2.043 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -13.813 6.185 2.758 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -15.526 7.138 4.194 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -14.587 8.440 3.491 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -17.010 8.821 3.443 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -16.310 8.856 1.897 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -17.189 7.493 2.399 1.00 2.50 H new ATOM 937 N ALA B 538 -13.175 5.357 -2.988 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.969 -4.969 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.443 -5.242 1.00 0.00 O ATOM 941 CB ALA B 538 -13.861 3.651 -4.596 1.00 0.04 C ATOM 0 H ALA B 538 -14.173 5.550 -3.066 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.121 3.613 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.484 2.901 -5.291 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.480 3.167 -3.841 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.458 4.383 -5.140 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.087 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.042 8.058 -7.108 1.00 0.05 C ATOM 952 CG1 ILE B 539 -11.099 8.762 -8.089 1.00 1.15 C ATOM 953 CG2 ILE B 539 -12.546 9.040 -6.072 1.00 1.12 C ATOM 954 CD1 ILE B 539 -10.707 7.911 -9.279 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.490 -5.404 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.090 6.160 -7.269 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.906 7.678 -7.653 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -11.578 9.673 -8.448 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -10.197 9.064 -7.557 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -13.035 9.876 -6.571 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -13.259 8.542 -5.415 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -11.707 9.410 -5.483 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -10.039 8.478 -9.927 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -10.199 7.012 -8.931 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -11.601 7.630 -9.836 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.593 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.324 9.181 -2.633 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.190 10.404 -2.958 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.064 9.599 -1.886 1.00 1.11 C ATOM 973 CD1 ILE B 540 -9.503 11.425 -3.842 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.199 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.441 9.117 -4.590 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.897 8.513 -1.990 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -11.104 10.070 -3.449 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -10.486 10.885 -2.026 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.340 10.131 -0.976 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.484 8.713 -1.626 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.465 10.252 -2.520 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -10.179 12.260 -4.027 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -8.604 11.790 -3.346 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -9.231 10.961 -4.790 1.00 1.85 H new ATOM 985 N ALA B 541 -8.617 6.197 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.671 1.00 0.00 C ATOM 987 C ALA B 541 -7.138 4.343 -3.846 1.00 0.00 C ATOM 988 O ALA B 541 -5.985 3.915 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.822 3.985 -2.023 1.00 0.02 C ATOM 0 H ALA B 541 -9.614 6.151 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.118 5.303 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.264 3.089 -1.753 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.262 4.422 -1.127 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.613 3.722 -2.725 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.247 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.932 4.382 -6.566 1.00 0.00 C ATOM 998 O SER B 542 -4.944 3.784 -6.959 1.00 0.00 O ATOM 999 CB SER B 542 -8.177 3.583 -7.332 1.00 0.01 C ATOM 1000 OG SER B 542 -8.530 4.889 -7.750 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.586 -5.136 1.00 0.00 H new ATOM 0 HA SER B 542 -6.917 2.600 -5.904 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.735 3.039 -8.166 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.074 3.039 -7.036 1.00 0.01 H new ATOM 0 HG SER B 542 -8.535 5.490 -6.976 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.007 5.706 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.614 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.491 8.046 -6.907 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.479 9.037 -7.449 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -4.420 9.285 -8.654 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -3.677 9.611 -6.560 1.00 1.80 N ATOM 0 H ASN B 543 -6.818 6.184 -6.070 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.668 6.289 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.395 8.086 -7.515 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.774 8.337 -5.896 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -2.977 10.287 -6.866 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -3.761 9.376 -5.571 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.583 -4.731 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.320 -3.817 1.00 0.00 C ATOM 1022 C ILE B 544 -2.125 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.863 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.276 6.247 -2.360 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -3.930 7.571 -1.955 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.127 5.904 -1.425 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.585 7.533 -0.591 1.00 1.81 C ATOM 0 H ILE B 544 -4.760 6.786 -4.282 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.061 7.136 -3.884 1.00 0.00 H new ATOM 0 HB ILE B 544 -4.024 5.457 -2.284 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.175 8.357 -1.964 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.678 7.840 -2.701 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.494 5.856 -0.400 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.706 4.938 -1.705 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.356 6.671 -1.499 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.027 8.505 -0.372 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.364 6.770 -0.582 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.837 7.296 0.165 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.675 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.320 1.00 0.00 O ATOM 1043 CB MET B 545 -3.505 1.623 -4.904 1.00 0.04 C ATOM 1044 CG MET B 545 -3.950 1.139 -3.532 1.00 0.88 C ATOM 1045 SD MET B 545 -5.108 -0.242 -3.619 1.00 1.81 S ATOM 1046 CE MET B 545 -6.543 0.556 -4.332 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.013 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.668 2.401 -4.082 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.364 2.040 -5.430 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.157 0.770 -5.487 1.00 0.04 H new ATOM 0 HG2 MET B 545 -3.075 0.837 -2.957 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.416 1.965 -2.994 1.00 0.88 H new ATOM 0 HE1 MET B 545 -7.405 -0.106 -4.252 1.00 2.60 H new ATOM 0 HE2 MET B 545 -6.747 1.483 -3.797 1.00 2.60 H new ATOM 0 HE3 MET B 545 -6.352 0.777 -5.382 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.206 3.423 -7.163 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.562 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.144 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.868 3.698 -8.655 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.327 4.403 -9.400 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.644 4.623 -10.731 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.573 3.606 -11.673 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -1.071 5.849 -11.045 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -0.949 3.803 -12.891 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.446 6.054 -12.260 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.390 5.030 -13.179 1.00 1.57 C ATOM 1067 OH TYR B 546 0.234 5.229 -14.390 1.00 2.08 O ATOM 0 H TYR B 546 -3.112 3.888 -7.110 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.361 2.572 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.286 3.914 -9.570 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.539 5.371 -8.946 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.012 2.645 -11.451 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -1.115 6.655 -10.328 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -0.900 3.001 -13.612 1.00 1.00 H new ATOM 0 HE2 TYR B 546 -0.004 7.013 -12.488 1.00 1.68 H new ATOM 0 HH TYR B 546 0.573 6.147 -14.436 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.133 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.044 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.975 -6.968 1.00 0.00 O ATOM 1081 CB ILE B 547 0.792 7.253 -6.197 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.078 8.265 -6.946 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.088 7.904 -5.726 1.00 0.78 C ATOM 1084 CD1 ILE B 547 -0.561 9.410 -6.083 1.00 1.50 C ATOM 0 H ILE B 547 -0.977 5.728 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.497 6.393 -8.056 1.00 0.00 H new ATOM 0 HB ILE B 547 0.249 6.906 -5.318 1.00 0.06 H new ATOM 0 HG12 ILE B 547 0.490 8.668 -7.784 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.942 7.748 -7.365 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.856 8.755 -5.086 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.677 7.178 -5.165 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.659 8.245 -6.590 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -1.171 10.086 -6.683 1.00 1.50 H new ATOM 0 HD12 ILE B 547 -1.157 9.018 -5.259 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.297 9.952 -5.685 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.606 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 3.687 -4.639 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.478 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.088 2.973 -3.434 1.00 0.03 C ATOM 1101 CG1 VAL B 548 0.891 2.146 -3.869 1.00 1.40 C ATOM 1102 CG2 VAL B 548 3.101 2.107 -2.702 1.00 1.39 C ATOM 0 H VAL B 548 0.944 4.768 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.574 4.288 -4.271 1.00 0.00 H new ATOM 0 HB VAL B 548 1.733 3.741 -2.746 1.00 0.03 H new ATOM 0 HG11 VAL B 548 0.452 1.656 -3.000 1.00 1.40 H new ATOM 0 HG12 VAL B 548 0.149 2.796 -4.333 1.00 1.40 H new ATOM 0 HG13 VAL B 548 1.212 1.391 -4.587 1.00 1.40 H new ATOM 0 HG21 VAL B 548 2.617 1.615 -1.858 1.00 1.39 H new ATOM 0 HG22 VAL B 548 3.496 1.354 -3.384 1.00 1.39 H new ATOM 0 HG23 VAL B 548 3.918 2.731 -2.338 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.501 -8.346 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.426 2.318 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.224 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.047 -9.637 1.00 0.00 O ATOM 1123 CB GLN B 550 4.266 4.644 -10.175 1.00 0.01 C ATOM 1124 CG GLN B 550 4.998 5.132 -11.415 1.00 1.12 C ATOM 1125 CD GLN B 550 4.341 6.346 -12.041 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.725 7.158 -11.352 1.00 2.25 O ATOM 1127 NE2 GLN B 550 4.471 6.476 -13.356 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.145 1.00 0.00 H new ATOM 0 HA GLN B 550 5.064 2.641 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.227 4.438 -10.434 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.257 5.441 -9.432 1.00 0.01 H new ATOM 0 HG2 GLN B 550 6.027 5.376 -11.152 1.00 1.12 H new ATOM 0 HG3 GLN B 550 5.039 4.327 -12.149 1.00 1.12 H new ATOM 0 HE21 GLN B 550 4.991 5.778 -13.889 1.00 2.27 H new ATOM 0 HE22 GLN B 550 4.051 7.274 -13.834 1.00 2.27 H new ATOM 1136 N TYR B 551 6.302 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.086 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.872 1.00 0.00 O ATOM 1140 CB TYR B 551 7.266 5.212 -6.002 1.00 0.08 C ATOM 1141 CG TYR B 551 7.080 6.507 -6.760 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.171 7.291 -7.111 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.812 6.948 -7.125 1.00 1.10 C ATOM 1144 CE1 TYR B 551 8.007 8.476 -7.802 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.640 8.131 -7.817 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.737 8.888 -8.158 1.00 2.65 C ATOM 1147 OH TYR B 551 6.571 10.072 -8.841 1.00 3.53 O ATOM 0 H TYR B 551 5.542 3.320 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.250 4.253 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.378 5.023 -5.399 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.102 5.322 -5.312 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.165 6.969 -6.839 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.948 6.356 -6.863 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.866 9.077 -8.062 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.648 8.460 -8.089 1.00 1.91 H new ATOM 0 HH TYR B 551 5.618 10.217 -9.017 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.747 -6.753 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.029 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.051 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.616 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.463 -0.365 -7.141 1.00 0.01 C ATOM 1162 CG PRO B 552 9.369 0.406 -8.420 1.00 0.46 C ATOM 1163 CD PRO B 552 8.343 1.478 -8.188 1.00 0.02 C ATOM 0 HA PRO B 552 8.453 0.234 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.464 -0.773 -7.002 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.772 -1.208 -7.140 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.333 0.840 -8.684 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.075 -0.243 -9.245 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.541 2.366 -8.789 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.338 1.140 -8.441 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.915 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.260 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.267 2.790 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.207 3.304 -6.113 1.00 0.01 C ATOM 1176 CG ARG B 553 13.486 2.842 -7.535 1.00 1.17 C ATOM 1177 CD ARG B 553 14.507 1.715 -7.567 1.00 1.73 C ATOM 1178 NE ARG B 553 15.829 2.158 -7.134 1.00 2.26 N ATOM 1179 CZ ARG B 553 16.769 1.337 -6.676 1.00 3.06 C ATOM 1180 NH1 ARG B 553 16.530 0.035 -6.584 1.00 3.50 N ATOM 1181 NH2 ARG B 553 17.948 1.816 -6.308 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.384 -6.745 1.00 0.00 H new ATOM 0 HA ARG B 553 13.102 1.364 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG B 553 12.606 4.213 -6.147 1.00 0.01 H new ATOM 0 HB3 ARG B 553 14.151 3.563 -5.633 1.00 0.01 H new ATOM 0 HG2 ARG B 553 12.558 2.506 -7.998 1.00 1.17 H new ATOM 0 HG3 ARG B 553 13.851 3.682 -8.126 1.00 1.17 H new ATOM 0 HD2 ARG B 553 14.169 0.902 -6.924 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.573 1.315 -8.579 1.00 1.73 H new ATOM 0 HE ARG B 553 16.044 3.154 -7.186 1.00 2.26 H new ATOM 0 HH11 ARG B 553 15.623 -0.338 -6.865 1.00 3.50 H new ATOM 0 HH12 ARG B 553 17.253 -0.593 -6.232 1.00 3.50 H new ATOM 0 HH21 ARG B 553 18.136 2.816 -6.376 1.00 3.87 H new ATOM 0 HH22 ARG B 553 18.668 1.185 -5.957 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.770 4.143 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.405 2.962 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.934 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.539 5.028 -2.638 1.00 0.03 C ATOM 1200 CG PHE B 554 9.028 5.633 -1.361 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.636 6.753 -0.816 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.934 5.085 -0.709 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.163 7.315 0.355 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.456 5.644 0.461 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.094 6.744 1.011 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.154 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.557 4.719 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.786 5.826 -3.338 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.746 4.437 -3.096 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.489 7.192 -1.312 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.450 4.211 -1.120 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.631 8.202 0.756 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.587 5.224 0.946 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.755 7.153 1.951 1.00 0.48 H new ATOM 1215 N LEU B 555 9.492 2.113 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.956 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.114 -0.794 1.00 0.00 C ATOM 1218 O LEU B 555 10.322 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.042 0.122 -2.043 1.00 0.03 C ATOM 1220 CG LEU B 555 6.604 0.659 -2.089 1.00 0.54 C ATOM 1221 CD1 LEU B 555 6.007 0.727 -0.693 1.00 1.49 C ATOM 1222 CD2 LEU B 555 6.559 2.026 -2.754 1.00 1.34 C ATOM 0 H LEU B 555 9.054 2.206 -2.903 1.00 0.00 H new ATOM 0 HA LEU B 555 8.512 1.315 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.417 0.048 -3.064 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.021 -0.889 -1.637 1.00 0.03 H new ATOM 0 HG LEU B 555 6.006 -0.032 -2.684 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.988 1.110 -0.751 1.00 1.49 H new ATOM 0 HD12 LEU B 555 5.995 -0.270 -0.253 1.00 1.49 H new ATOM 0 HD13 LEU B 555 6.609 1.390 -0.072 1.00 1.49 H new ATOM 0 HD21 LEU B 555 5.531 2.387 -2.775 1.00 1.34 H new ATOM 0 HD22 LEU B 555 7.177 2.725 -2.191 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.937 1.947 -3.773 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.350 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.069 -1.073 -2.821 1.00 0.02 C ATOM 1239 CG ARG B 556 14.503 -1.540 -2.621 1.00 1.02 C ATOM 1240 CD ARG B 556 15.202 -1.771 -3.950 1.00 1.14 C ATOM 1241 NE ARG B 556 14.498 -2.747 -4.779 1.00 1.74 N ATOM 1242 CZ ARG B 556 15.048 -3.366 -5.820 1.00 2.13 C ATOM 1243 NH1 ARG B 556 16.305 -3.115 -6.158 1.00 1.99 N ATOM 1244 NH2 ARG B 556 14.340 -4.238 -6.525 1.00 3.09 N ATOM 0 H ARG B 556 10.983 0.162 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.879 -1.997 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.575 -1.744 -3.523 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.081 -0.084 -3.280 1.00 0.02 H new ATOM 0 HG2 ARG B 556 15.052 -0.796 -2.044 1.00 1.02 H new ATOM 0 HG3 ARG B 556 14.509 -2.462 -2.040 1.00 1.02 H new ATOM 0 HD2 ARG B 556 15.278 -0.826 -4.488 1.00 1.14 H new ATOM 0 HD3 ARG B 556 16.220 -2.117 -3.769 1.00 1.14 H new ATOM 0 HE ARG B 556 13.529 -2.966 -4.546 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.854 -2.445 -5.619 1.00 1.99 H new ATOM 0 HH12 ARG B 556 16.723 -3.592 -6.957 1.00 1.99 H new ATOM 0 HH21 ARG B 556 13.372 -4.435 -6.269 1.00 3.09 H new ATOM 0 HH22 ARG B 556 14.763 -4.712 -7.323 1.00 3.09 H new ATOM 1258 N ALA B 557 13.236 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.838 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.433 2.180 1.00 0.00 C ATOM 1261 O ALA B 557 14.029 1.659 3.197 1.00 0.00 O ATOM 1262 CB ALA B 557 14.622 2.699 0.418 1.00 0.00 C ATOM 0 H ALA B 557 12.745 1.474 -0.772 1.00 0.00 H new ATOM 0 HA ALA B 557 14.938 0.648 0.967 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.263 3.101 1.203 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.195 2.602 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.783 3.375 0.254 1.00 0.00 H new ATOM 1268 N HIS B 558 12.061 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.362 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.301 3.573 1.00 0.00 O ATOM 1272 CB HIS B 558 10.458 2.685 3.398 1.00 0.08 C ATOM 1273 CG HIS B 558 11.274 3.925 3.197 1.00 1.15 C ATOM 1274 ND1 HIS B 558 10.995 4.857 2.219 1.00 2.12 N ATOM 1275 CD2 HIS B 558 12.358 4.393 3.861 1.00 2.10 C ATOM 1276 CE1 HIS B 558 11.872 5.843 2.291 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.709 5.585 3.279 1.00 2.91 N ATOM 0 H HIS B 558 11.504 1.039 1.365 1.00 0.00 H new ATOM 0 HA HIS B 558 12.027 1.432 4.244 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.728 2.607 2.593 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.898 2.777 4.328 1.00 0.08 H new ATOM 0 HD2 HIS B 558 12.854 3.916 4.694 1.00 2.10 H new ATOM 0 HE1 HIS B 558 11.899 6.712 1.651 1.00 2.93 H new ATOM 0 HE2 HIS B 558 13.490 6.176 3.564 1.00 2.91 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.119 4.519 1.00 0.00 C ATOM 1288 C TRP B 559 8.848 -1.962 5.322 1.00 0.00 C ATOM 1289 O TRP B 559 7.800 -2.516 4.948 1.00 0.00 O ATOM 1290 CB TRP B 559 11.053 -3.146 5.215 1.00 0.02 C ATOM 1291 CG TRP B 559 11.655 -2.653 6.496 1.00 1.09 C ATOM 1292 CD1 TRP B 559 11.154 -2.824 7.756 1.00 2.27 C ATOM 1293 CD2 TRP B 559 12.873 -1.913 6.646 1.00 1.54 C ATOM 1294 NE1 TRP B 559 11.983 -2.232 8.678 1.00 2.97 N ATOM 1295 CE2 TRP B 559 13.045 -1.667 8.022 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.834 -1.434 5.751 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 14.139 -0.963 8.522 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 14.918 -0.736 6.249 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.064 -0.508 7.623 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.950 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.833 -2.449 3.531 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.471 -4.045 5.420 1.00 0.02 H new ATOM 0 HB3 TRP B 559 11.855 -3.434 4.535 1.00 0.02 H new ATOM 0 HD1 TRP B 559 10.240 -3.348 7.992 1.00 2.27 H new ATOM 0 HE1 TRP B 559 11.832 -2.216 9.687 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.731 -1.606 4.690 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 14.252 -0.783 9.581 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.666 -0.360 5.566 1.00 2.76 H new ATOM 0 HH2 TRP B 559 15.925 0.038 7.980 1.00 3.08 H new ATOM 1310 N LYS B 560 8.926 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.765 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.493 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.679 6.712 1.00 0.00 O ATOM 1314 CB LYS B 560 8.141 -0.142 8.479 1.00 0.01 C ATOM 1315 CG LYS B 560 6.991 0.101 9.444 1.00 1.26 C ATOM 1316 CD LYS B 560 7.450 0.861 10.678 1.00 1.83 C ATOM 1317 CE LYS B 560 6.288 1.168 11.609 1.00 2.58 C ATOM 1318 NZ LYS B 560 5.274 2.044 10.962 1.00 3.32 N ATOM 0 H LYS B 560 9.783 -0.806 6.774 1.00 0.00 H new ATOM 0 HA LYS B 560 7.421 -1.988 7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.963 -0.612 9.019 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.506 0.818 8.114 1.00 0.01 H new ATOM 0 HG2 LYS B 560 6.205 0.664 8.940 1.00 1.26 H new ATOM 0 HG3 LYS B 560 6.558 -0.853 9.743 1.00 1.26 H new ATOM 0 HD2 LYS B 560 8.198 0.274 11.210 1.00 1.83 H new ATOM 0 HD3 LYS B 560 7.931 1.791 10.375 1.00 1.83 H new ATOM 0 HE2 LYS B 560 5.817 0.236 11.920 1.00 2.58 H new ATOM 0 HE3 LYS B 560 6.663 1.652 12.511 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 4.609 2.395 11.681 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 5.750 2.850 10.508 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 4.753 1.501 10.244 1.00 3.32 H new ATOM 1332 N PHE B 561 6.957 0.519 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.090 4.730 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.092 3.657 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.418 2.373 4.058 1.00 0.03 C ATOM 1337 CG PHE B 561 5.330 3.367 3.755 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.315 3.051 2.866 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.321 4.616 4.358 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.313 3.959 2.585 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.322 5.528 4.080 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.322 5.210 3.202 1.00 1.14 C ATOM 0 H PHE B 561 7.903 0.854 5.389 1.00 0.00 H new ATOM 0 HA PHE B 561 5.068 1.324 5.375 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.158 2.844 4.705 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.926 2.111 3.130 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.307 2.083 2.387 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.105 4.878 5.053 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.526 3.702 1.891 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.330 6.497 4.558 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.542 5.925 2.987 1.00 1.14 H new ATOM 1352 N LEU B 562 6.374 -0.579 2.997 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.622 2.037 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.984 -2.805 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.338 -2.338 1.591 1.00 0.03 C ATOM 1357 CG LEU B 562 7.228 -3.109 0.272 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.610 -3.419 -0.277 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.435 -4.393 0.463 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.411 3.116 1.00 0.00 H new ATOM 0 HA LEU B 562 5.599 -1.163 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.135 -1.600 1.496 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.638 -3.033 2.375 1.00 0.03 H new ATOM 0 HG LEU B 562 6.699 -2.483 -0.447 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.515 -3.967 -1.214 1.00 1.32 H new ATOM 0 HD12 LEU B 562 9.148 -2.488 -0.454 1.00 1.32 H new ATOM 0 HD13 LEU B 562 9.160 -4.025 0.443 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.369 -4.925 -0.486 1.00 1.23 H new ATOM 0 HD22 LEU B 562 6.935 -5.024 1.198 1.00 1.23 H new ATOM 0 HD23 LEU B 562 5.432 -4.152 0.814 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.250 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.216 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.693 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.432 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.241 -4.623 5.775 1.00 0.03 C ATOM 1376 CG LYS B 563 4.333 -5.472 6.658 1.00 1.29 C ATOM 1377 CD LYS B 563 4.830 -5.514 8.095 1.00 1.53 C ATOM 1378 CE LYS B 563 3.919 -6.355 8.975 1.00 2.10 C ATOM 1379 NZ LYS B 563 2.519 -5.846 8.976 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.112 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.501 -5.069 3.773 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.157 -5.177 5.572 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.526 -3.724 6.321 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.321 -5.069 6.634 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.282 -6.486 6.260 1.00 1.29 H new ATOM 0 HD2 LYS B 563 5.840 -5.923 8.120 1.00 1.53 H new ATOM 0 HD3 LYS B 563 4.886 -4.500 8.491 1.00 1.53 H new ATOM 0 HE2 LYS B 563 3.929 -7.387 8.625 1.00 2.10 H new ATOM 0 HE3 LYS B 563 4.304 -6.360 9.995 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 1.990 -6.287 9.755 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 2.525 -4.814 9.102 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 2.063 -6.081 8.071 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.410 5.073 1.00 0.00 N ATOM 1394 CA THR B 564 1.833 -1.782 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.948 -1.595 4.220 1.00 0.00 C ATOM 1396 O THR B 564 -0.272 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.032 -0.429 6.158 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.926 0.401 5.413 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.573 -0.630 7.566 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.781 5.109 1.00 0.00 H new ATOM 0 HA THR B 564 1.346 -2.453 6.155 1.00 0.00 H new ATOM 0 HB THR B 564 1.060 0.061 6.223 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.194 -0.062 4.592 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.705 0.339 8.047 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.869 -1.229 8.144 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.533 -1.145 7.517 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.116 1.00 0.00 N ATOM 1408 CA VAL B 565 0.881 -1.145 1.839 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.795 -0.559 0.750 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.074 -0.515 -0.592 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.270 0.828 1.156 1.00 1.18 C ATOM 0 H VAL B 565 2.561 -0.972 3.077 1.00 0.00 H new ATOM 0 HA VAL B 565 0.028 -0.485 1.997 1.00 0.00 H new ATOM 0 HB VAL B 565 2.666 -1.205 0.641 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.738 -0.097 -1.348 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.783 -1.525 -0.882 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.184 0.108 -0.507 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.916 1.233 0.378 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.409 1.483 1.290 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.825 0.763 2.092 1.00 1.18 H new ATOM 1423 N VAL B 566 1.148 -3.562 1.549 1.00 0.00 N ATOM 1424 CA VAL B 566 0.756 -4.879 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.385 -5.446 1.905 1.00 0.00 C ATOM 1426 O VAL B 566 -1.412 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.934 -5.881 1.009 1.00 0.04 C ATOM 1428 CG1 VAL B 566 2.961 -5.431 -0.017 1.00 1.36 C ATOM 1429 CG2 VAL B 566 2.583 -6.057 2.368 1.00 1.36 C ATOM 0 H VAL B 566 2.054 -3.527 2.016 1.00 0.00 H new ATOM 0 HA VAL B 566 0.413 -4.740 0.041 1.00 0.00 H new ATOM 0 HB VAL B 566 1.533 -6.849 0.707 1.00 0.04 H new ATOM 0 HG11 VAL B 566 3.784 -6.145 -0.046 1.00 1.36 H new ATOM 0 HG12 VAL B 566 2.493 -5.376 -1.000 1.00 1.36 H new ATOM 0 HG13 VAL B 566 3.344 -4.448 0.258 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.406 -6.768 2.289 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.965 -5.097 2.716 1.00 1.36 H new ATOM 0 HG23 VAL B 566 1.846 -6.433 3.077 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.203 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.295 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.941 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.674 -5.447 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.873 -5.519 5.569 1.00 0.01 C ATOM 1444 CG ASN B 567 0.067 -6.592 6.081 1.00 1.12 C ATOM 1445 OD1 ASN B 567 1.287 -6.466 5.978 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -0.497 -7.661 6.633 1.00 1.91 N ATOM 0 H ASN B 567 0.679 -5.205 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.533 -6.810 3.974 1.00 0.00 H new ATOM 0 HB2 ASN B 567 -0.387 -4.546 5.649 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -1.760 -5.485 6.201 1.00 0.01 H new ATOM 0 HD21 ASN B 567 0.086 -8.417 6.991 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -1.513 -7.725 6.698 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.681 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.831 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.143 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.106 -1.366 3.046 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.236 -0.411 2.697 1.00 0.94 C ATOM 1459 CD LYS B 568 -3.704 0.919 2.189 1.00 1.74 C ATOM 1460 CE LYS B 568 -3.025 0.766 0.835 1.00 2.68 C ATOM 1461 NZ LYS B 568 -2.447 2.049 0.349 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.229 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.279 -2.939 3.912 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.679 -1.074 4.006 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.316 -1.267 2.302 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -4.874 -0.863 1.938 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -4.857 -0.244 3.577 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -4.523 1.633 2.108 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -2.995 1.328 2.909 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -2.235 0.018 0.909 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -3.748 0.396 0.108 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -2.304 1.998 -0.680 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -3.099 2.829 0.569 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -1.534 2.218 0.818 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.316 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.229 -0.392 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.571 -5.770 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.591 -4.479 -1.341 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.175 -5.943 -1.537 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -3.096 -6.641 -2.530 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -0.733 -6.023 -2.010 1.00 1.89 C ATOM 0 H LEU B 569 -2.306 -3.777 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.412 -3.484 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -2.840 -4.060 -2.316 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -1.730 -3.926 -0.967 1.00 0.05 H new ATOM 0 HG LEU B 569 -2.259 -6.452 -0.577 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -2.781 -7.677 -2.652 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -4.120 -6.615 -2.157 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -3.047 -6.131 -3.492 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -0.452 -7.067 -2.145 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -0.631 -5.495 -2.958 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -0.080 -5.564 -1.267 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.157 -6.321 0.812 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.146 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.698 1.00 0.00 C ATOM 1497 O PHE B 570 -7.227 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.053 -8.372 2.164 1.00 0.02 C ATOM 1499 CG PHE B 570 -4.830 -8.858 3.365 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -5.711 -9.924 3.259 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -4.668 -8.254 4.603 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -6.415 -10.375 4.359 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -5.372 -8.699 5.707 1.00 3.12 C ATOM 1504 CZ PHE B 570 -6.246 -9.762 5.584 1.00 3.77 C ATOM 0 H PHE B 570 -3.327 -6.145 1.378 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.995 -8.153 0.244 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.626 -9.235 1.654 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -3.219 -7.763 2.512 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -5.849 -10.408 2.303 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -3.983 -7.425 4.706 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -7.097 -11.207 4.260 1.00 3.25 H new ATOM 0 HE2 PHE B 570 -5.239 -8.216 6.664 1.00 3.12 H new ATOM 0 HZ PHE B 570 -6.796 -10.113 6.445 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.313 -6.169 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.870 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.949 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.420 -4.503 3.916 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.715 -4.009 4.541 1.00 1.13 C ATOM 1520 CD GLU B 571 -9.324 -5.016 5.497 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -10.108 -5.872 5.038 1.00 2.47 O ATOM 1522 OE2 GLU B 571 -9.018 -4.948 6.707 1.00 1.97 O ATOM 0 H GLU B 571 -5.513 -5.614 2.810 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.022 -6.544 3.619 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.711 -4.739 4.709 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -6.982 -3.698 3.325 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -8.524 -3.077 5.074 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -9.432 -3.784 3.752 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.130 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.133 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.404 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.084 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.270 -3.050 -0.964 1.00 0.03 C ATOM 1534 CG PHE B 572 -7.960 -1.794 -0.196 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -8.816 -1.353 0.799 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -6.815 -1.058 -0.465 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -8.538 -0.205 1.513 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.533 0.092 0.246 1.00 1.21 C ATOM 1539 CZ PHE B 572 -7.382 0.532 1.209 1.00 0.99 C ATOM 0 H PHE B 572 -7.198 -4.139 0.951 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.884 -3.748 0.321 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.340 -3.459 -1.360 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.896 -2.794 -1.819 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -9.712 -1.914 1.019 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.137 -1.388 -1.238 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -9.203 0.123 2.298 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -5.630 0.645 0.034 1.00 1.21 H new ATOM 0 HZ PHE B 572 -7.169 1.448 1.741 1.00 0.99 H new ATOM 1549 N MET B 573 -8.817 -6.466 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.589 -1.781 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.157 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.052 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.121 -8.677 -1.754 1.00 0.03 C ATOM 1554 CG MET B 573 -6.949 -8.398 -2.681 1.00 0.87 C ATOM 1555 SD MET B 573 -5.794 -9.781 -2.770 1.00 1.42 S ATOM 1556 CE MET B 573 -4.833 -9.320 -4.209 1.00 2.11 C ATOM 0 H MET B 573 -8.085 -6.668 -0.263 1.00 0.00 H new ATOM 0 HA MET B 573 -9.301 -7.238 -2.808 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.750 -8.784 -0.735 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.573 -9.630 -2.030 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.325 -8.178 -3.680 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.421 -7.509 -2.336 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.842 -9.768 -4.143 1.00 2.11 H new ATOM 0 HE2 MET B 573 -5.333 -9.676 -5.110 1.00 2.11 H new ATOM 0 HE3 MET B 573 -4.739 -8.235 -4.251 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.995 -7.609 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.939 0.329 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.775 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.435 -6.875 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.202 -8.334 1.804 1.00 0.02 C ATOM 1571 CG HIS B 574 -13.436 -8.983 2.351 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -13.734 -10.316 2.159 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -14.453 -8.476 3.089 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -14.878 -10.599 2.753 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -15.334 -9.501 3.325 1.00 3.20 N ATOM 0 H HIS B 574 -10.481 -6.929 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.699 -8.780 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.360 -9.016 1.927 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -11.980 -7.444 2.393 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -14.552 -7.455 3.428 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -15.359 -11.566 2.768 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -16.201 -9.426 3.857 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.499 -0.647 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.752 -3.300 -1.040 1.00 0.02 C ATOM 1589 CG GLU B 575 -12.128 -2.586 0.148 1.00 0.96 C ATOM 1590 CD GLU B 575 -13.165 -2.069 1.127 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.795 -1.032 0.832 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -13.346 -2.700 2.188 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.566 -0.669 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.147 -4.248 0.269 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.960 -3.635 -1.710 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -13.364 -2.592 -1.599 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -11.454 -3.269 0.665 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -11.524 -1.752 -0.210 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.490 -1.486 1.00 0.00 N ATOM 1600 CA THR B 576 -16.918 -4.801 -2.450 1.00 0.00 C ATOM 1601 C THR B 576 -17.121 -3.695 -3.488 1.00 0.00 C ATOM 1602 O THR B 576 -17.652 -3.946 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.261 -5.071 -1.749 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.672 -3.912 -1.017 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.153 -6.258 -0.805 1.00 1.40 C ATOM 0 H THR B 576 -16.204 -4.029 -0.635 1.00 0.00 H new ATOM 0 HA THR B 576 -16.577 -5.696 -2.970 1.00 0.00 H new ATOM 0 HB THR B 576 -19.003 -5.302 -2.514 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.528 -4.091 -0.575 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.115 -6.428 -0.322 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.868 -7.146 -1.369 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.398 -6.052 -0.046 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.702 -2.474 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.348 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.546 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.443 -0.044 -3.457 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.764 1.156 -4.295 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -16.145 1.420 -5.500 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -17.658 2.154 -4.108 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -16.648 2.528 -6.017 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.567 2.992 -5.192 1.00 2.79 N ATOM 0 H HIS B 577 -16.197 -2.239 -2.315 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.033 -1.294 -4.203 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.881 0.083 -2.467 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.363 -0.109 -3.322 1.00 0.04 H new ATOM 0 HD1 HIS B 577 -15.414 0.850 -5.925 1.00 2.11 H new ATOM 0 HD2 HIS B 577 -18.320 2.270 -3.263 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -16.356 2.977 -6.955 1.00 2.85 H new ATOM 1631 N ASP B 578 -17.139 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.761 -1.695 -7.859 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.178 -8.233 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.001 -8.048 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.794 -1.119 -8.830 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.513 -1.497 -10.271 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -16.730 -0.781 -10.931 1.00 2.15 O ATOM 1638 OD2 ASP B 578 -18.076 -2.509 -10.741 1.00 2.04 O ATOM 0 H ASP B 578 -18.090 -1.026 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.733 -2.782 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -18.786 -1.474 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.807 -0.033 -8.739 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.513 -2.082 -8.723 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.191 -1.721 -9.220 1.00 0.00 C ATOM 1645 C GLY B 579 -12.038 -1.884 -8.242 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.213 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.723 -3.078 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.980 -2.325 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.220 -0.681 -9.546 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.636 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.661 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.960 -5.926 1.00 0.00 C ATOM 1653 O VAL B 580 -9.241 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.859 -1.418 -4.543 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.762 -1.397 -3.487 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.654 -0.121 -4.521 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.413 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.578 -0.854 -6.203 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.536 -2.240 -4.310 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.205 -1.224 -2.506 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.240 -2.354 -3.486 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.055 -0.598 -3.712 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.067 0.036 -3.525 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -11.999 0.712 -4.777 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.466 -0.180 -5.246 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.085 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.529 -5.395 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.561 -5.580 -7.142 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.117 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.575 -6.510 -5.998 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.616 -6.405 -4.899 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.580 -7.576 -4.894 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.213 -8.698 -5.246 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.823 -7.320 -4.504 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.118 -6.036 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.952 -5.448 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -12.078 -6.496 -6.965 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -11.069 -7.472 -5.916 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -12.114 -6.348 -3.933 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -13.177 -5.478 -5.022 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -15.084 -6.376 -4.220 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -15.517 -8.068 -4.488 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.322 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.101 -5.107 -9.474 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.245 1.00 0.00 C ATOM 1686 O ASP B 582 -6.775 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.869 -4.637 -10.709 1.00 0.00 C ATOM 1688 CG ASP B 582 -8.981 -4.529 -11.934 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -8.830 -5.543 -12.649 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -8.438 -3.432 -12.180 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.814 -8.503 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.733 -6.121 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.683 -5.332 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -10.322 -3.667 -10.505 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.640 1.00 0.00 N ATOM 1696 CA MET B 583 -7.012 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.837 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.841 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.545 -0.854 -7.674 1.00 0.02 C ATOM 1700 CG MET B 583 -6.622 0.336 -7.879 1.00 1.14 C ATOM 1701 SD MET B 583 -6.370 0.722 -9.623 1.00 1.87 S ATOM 1702 CE MET B 583 -5.282 2.140 -9.509 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.386 1.00 0.00 H new ATOM 0 HA MET B 583 -6.466 -1.903 -9.202 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.519 -0.628 -8.107 1.00 0.02 H new ATOM 0 HB3 MET B 583 -7.699 -1.006 -6.606 1.00 0.02 H new ATOM 0 HG2 MET B 583 -7.040 1.207 -7.374 1.00 1.14 H new ATOM 0 HG3 MET B 583 -5.659 0.129 -7.413 1.00 1.14 H new ATOM 0 HE1 MET B 583 -4.720 2.243 -10.437 1.00 2.58 H new ATOM 0 HE2 MET B 583 -5.874 3.040 -9.341 1.00 2.58 H new ATOM 0 HE3 MET B 583 -4.589 2.001 -8.679 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.266 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.058 -5.233 1.00 0.00 C ATOM 1714 C ALA B 584 -4.912 -5.143 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.711 -4.643 -4.155 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.101 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.172 -3.295 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.098 -5.118 -3.389 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.303 -3.847 -3.703 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.377 -5.384 -4.598 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.453 -5.953 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.674 -7.046 -7.272 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.267 1.00 0.00 C ATOM 1725 O CYS B 585 -2.511 -7.049 -8.285 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.594 -8.067 -7.944 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.725 -9.475 -8.671 1.00 1.50 S ATOM 0 H CYS B 585 -6.405 -5.874 -7.076 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.146 -7.520 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.309 -8.435 -7.209 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.168 -7.566 -8.723 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.443 -10.549 -8.527 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.593 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.489 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.949 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.892 -3.981 -10.937 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.028 -3.374 -12.024 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.837 -4.034 -13.066 1.00 0.87 O ATOM 1740 OD2 ASP B 586 -2.541 -2.240 -11.831 1.00 1.98 O ATOM 0 H ASP B 586 -4.962 -5.187 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.814 -5.840 -10.754 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.769 -4.443 -11.390 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.252 -3.190 -10.279 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.171 -4.074 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.062 -3.978 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.585 -2.066 -6.576 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.389 -1.042 -7.172 1.00 1.24 O ATOM 1751 CG2 THR B 587 -0.456 -1.428 -5.779 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.372 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.428 -2.413 -8.356 1.00 0.00 H new ATOM 0 HB THR B 587 -2.194 -2.661 -5.896 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.283 -1.396 -7.361 1.00 1.24 H new ATOM 0 HG21 THR B 587 -0.875 -0.772 -5.016 1.00 1.30 H new ATOM 0 HG22 THR B 587 0.138 -2.207 -5.302 1.00 1.30 H new ATOM 0 HG23 THR B 587 0.179 -0.847 -6.448 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.107 -6.515 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.177 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.090 -7.196 -5.265 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.476 -8.526 -4.917 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.473 -8.619 -3.911 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.848 -9.677 -5.592 1.00 0.45 C ATOM 1767 CE1 PHE B 588 1.040 -9.837 -3.587 1.00 0.49 C ATOM 1768 CE2 PHE B 588 -0.283 -10.898 -5.272 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.654 -10.985 -4.282 1.00 0.53 C ATOM 0 H PHE B 588 -1.826 -5.232 -6.556 1.00 0.00 H new ATOM 0 HA PHE B 588 0.472 -5.733 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.556 -6.778 -4.372 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.884 -7.354 -5.995 1.00 0.02 H new ATOM 0 HD1 PHE B 588 0.772 -7.731 -3.375 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -1.588 -9.620 -6.377 1.00 0.45 H new ATOM 0 HE1 PHE B 588 1.778 -9.901 -2.801 1.00 0.49 H new ATOM 0 HE2 PHE B 588 -0.584 -11.787 -5.807 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.095 -11.940 -4.037 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.043 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.698 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.842 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.711 -8.174 -10.183 1.00 0.03 C ATOM 1784 CG1 ILE B 589 -0.513 -9.018 -9.821 1.00 1.34 C ATOM 1785 CG2 ILE B 589 1.669 -8.967 -11.062 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -1.334 -9.443 -11.019 1.00 1.97 C ATOM 0 H ILE B 589 -0.276 -6.533 -8.479 1.00 0.00 H new ATOM 0 HA ILE B 589 1.751 -8.581 -8.354 1.00 0.00 H new ATOM 0 HB ILE B 589 0.376 -7.301 -10.743 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -0.184 -9.907 -9.283 1.00 1.34 H new ATOM 0 HG13 ILE B 589 -1.147 -8.450 -9.140 1.00 1.34 H new ATOM 0 HG21 ILE B 589 1.149 -9.296 -11.962 1.00 1.31 H new ATOM 0 HG22 ILE B 589 2.514 -8.337 -11.341 1.00 1.31 H new ATOM 0 HG23 ILE B 589 2.031 -9.837 -10.514 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -2.184 -10.037 -10.685 1.00 1.97 H new ATOM 0 HD12 ILE B 589 -1.694 -8.559 -11.546 1.00 1.97 H new ATOM 0 HD13 ILE B 589 -0.716 -10.039 -11.691 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.545 -9.460 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.704 -8.596 1.00 0.00 C ATOM 1801 O LYS B 590 5.668 -4.885 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.936 -3.182 -9.872 1.00 0.01 C ATOM 1803 CG LYS B 590 1.958 -3.002 -11.022 1.00 0.99 C ATOM 1804 CD LYS B 590 1.469 -1.567 -11.116 1.00 1.52 C ATOM 1805 CE LYS B 590 0.501 -1.382 -12.274 1.00 2.04 C ATOM 1806 NZ LYS B 590 1.129 -1.721 -13.581 1.00 2.62 N ATOM 0 H LYS B 590 1.469 -5.121 -9.415 1.00 0.00 H new ATOM 0 HA LYS B 590 3.947 -4.862 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.445 -2.900 -8.941 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.775 -2.500 -10.009 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.439 -3.286 -11.958 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.107 -3.669 -10.886 1.00 0.99 H new ATOM 0 HD2 LYS B 590 0.980 -1.287 -10.183 1.00 1.52 H new ATOM 0 HD3 LYS B 590 2.321 -0.899 -11.242 1.00 1.52 H new ATOM 0 HE2 LYS B 590 -0.376 -2.011 -12.118 1.00 2.04 H new ATOM 0 HE3 LYS B 590 0.153 -0.349 -12.295 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 0.534 -1.364 -14.355 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 2.071 -1.283 -13.638 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 1.222 -2.754 -13.664 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.617 -7.375 1.00 0.00 N ATOM 1821 CA ILE B 591 4.790 -4.623 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.936 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.933 -4.328 -4.908 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.848 -2.818 -4.665 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.497 -5.029 -3.677 1.00 1.28 C ATOM 1827 CD1 ILE B 591 3.097 -2.066 -5.740 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.539 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 591 5.526 -3.830 -6.298 1.00 0.00 H new ATOM 0 HB ILE B 591 2.930 -4.716 -5.087 1.00 0.04 H new ATOM 0 HG12 ILE B 591 3.363 -2.641 -3.705 1.00 1.27 H new ATOM 0 HG13 ILE B 591 4.858 -2.414 -4.591 1.00 1.27 H new ATOM 0 HG21 ILE B 591 3.874 -4.802 -2.812 1.00 1.28 H new ATOM 0 HG22 ILE B 591 4.508 -6.106 -3.845 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.513 -4.680 -3.493 1.00 1.28 H new ATOM 0 HD11 ILE B 591 3.080 -1.004 -5.497 1.00 1.96 H new ATOM 0 HD12 ILE B 591 3.593 -2.211 -6.700 1.00 1.96 H new ATOM 0 HD13 ILE B 591 2.075 -2.441 -5.800 1.00 1.96 H new ATOM 1839 N ALA B 592 4.878 -7.057 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.084 -6.796 1.00 0.00 O ATOM 1843 CB ALA B 592 4.528 -9.477 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.891 -7.101 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.012 -8.393 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.034 -10.438 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.784 -9.385 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.035 -9.414 -7.168 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.333 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.107 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.702 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.756 -7.731 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.035 -7.619 -10.677 1.00 0.01 C ATOM 1854 CG GLN B 593 8.065 -7.771 -11.784 1.00 1.09 C ATOM 1855 CD GLN B 593 7.545 -7.316 -13.135 1.00 1.64 C ATOM 1856 OE1 GLN B 593 7.941 -7.842 -14.173 1.00 2.36 O ATOM 1857 NE2 GLN B 593 6.655 -6.329 -13.128 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.667 1.00 0.00 H new ATOM 0 HA GLN B 593 7.864 -9.138 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.136 -8.172 -10.950 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.751 -6.570 -10.598 1.00 0.01 H new ATOM 0 HG2 GLN B 593 8.954 -7.195 -11.529 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.370 -8.815 -11.850 1.00 1.09 H new ATOM 0 HE21 GLN B 593 6.353 -5.921 -12.243 1.00 2.26 H new ATOM 0 HE22 GLN B 593 6.274 -5.980 -14.007 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.952 -8.484 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.101 -7.091 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.649 -6.895 1.00 0.00 O ATOM 1870 CB LYS B 594 8.932 -3.539 -8.626 1.00 0.01 C ATOM 1871 CG LYS B 594 9.162 -2.926 -10.000 1.00 0.52 C ATOM 1872 CD LYS B 594 8.322 -3.605 -11.070 1.00 1.21 C ATOM 1873 CE LYS B 594 6.883 -3.115 -11.041 1.00 1.59 C ATOM 1874 NZ LYS B 594 6.787 -1.658 -11.332 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.312 -5.145 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.861 -3.566 -8.424 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.383 -2.896 -7.870 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.921 -1.863 -9.969 1.00 0.52 H new ATOM 0 HG3 LYS B 594 10.217 -3.006 -10.261 1.00 0.52 H new ATOM 0 HD2 LYS B 594 8.754 -3.411 -12.052 1.00 1.21 H new ATOM 0 HD3 LYS B 594 8.343 -4.684 -10.921 1.00 1.21 H new ATOM 0 HE2 LYS B 594 6.295 -3.671 -11.772 1.00 1.59 H new ATOM 0 HE3 LYS B 594 6.450 -3.319 -10.062 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 5.845 -1.442 -11.716 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 6.936 -1.118 -10.455 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 7.513 -1.394 -12.028 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.738 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.210 -7.317 -4.326 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.130 1.00 0.00 O ATOM 1892 CB CYS B 595 9.194 -5.111 -3.785 1.00 0.01 C ATOM 1893 SG CYS B 595 9.058 -3.339 -4.125 1.00 1.26 S ATOM 0 H CYS B 595 8.555 -6.158 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.058 -5.462 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.194 -5.545 -3.772 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.614 -5.247 -2.788 1.00 0.01 H new ATOM 0 HG CYS B 595 8.311 -2.780 -3.220 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.318 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.666 -10.407 -6.313 1.00 0.01 C ATOM 1904 CG ARG B 596 11.993 -9.983 -6.921 1.00 1.21 C ATOM 1905 CD ARG B 596 12.280 -10.732 -8.211 1.00 1.42 C ATOM 1906 NE ARG B 596 12.403 -12.170 -7.994 1.00 2.09 N ATOM 1907 CZ ARG B 596 12.916 -13.009 -8.889 1.00 2.60 C ATOM 1908 NH1 ARG B 596 13.343 -12.556 -10.061 1.00 2.53 N ATOM 1909 NH2 ARG B 596 13.001 -14.303 -8.614 1.00 3.58 N ATOM 0 H ARG B 596 10.419 -7.979 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.310 -9.879 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.696 -11.477 -6.105 1.00 0.01 H new ATOM 0 HB3 ARG B 596 9.873 -10.246 -7.043 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.978 -8.911 -7.117 1.00 1.21 H new ATOM 0 HG3 ARG B 596 12.796 -10.165 -6.207 1.00 1.21 H new ATOM 0 HD2 ARG B 596 11.480 -10.541 -8.927 1.00 1.42 H new ATOM 0 HD3 ARG B 596 13.201 -10.352 -8.653 1.00 1.42 H new ATOM 0 HE ARG B 596 12.077 -12.553 -7.106 1.00 2.09 H new ATOM 0 HH11 ARG B 596 13.278 -11.561 -10.278 1.00 2.53 H new ATOM 0 HH12 ARG B 596 13.736 -13.202 -10.745 1.00 2.53 H new ATOM 0 HH21 ARG B 596 12.673 -14.656 -7.715 1.00 3.58 H new ATOM 0 HH22 ARG B 596 13.395 -14.946 -9.301 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.038 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.375 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.505 -0.456 1.00 0.00 O ATOM 1927 CB ARG B 597 14.799 -9.417 -3.082 1.00 0.01 C ATOM 1928 CG ARG B 597 15.295 -9.644 -4.503 1.00 1.27 C ATOM 1929 CD ARG B 597 15.517 -11.121 -4.793 1.00 1.71 C ATOM 1930 NE ARG B 597 16.044 -11.340 -6.139 1.00 2.17 N ATOM 1931 CZ ARG B 597 16.017 -12.513 -6.762 1.00 2.92 C ATOM 1932 NH1 ARG B 597 15.489 -13.575 -6.167 1.00 3.29 N ATOM 1933 NH2 ARG B 597 16.519 -12.628 -7.984 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.771 -4.358 1.00 0.00 H new ATOM 0 HA ARG B 597 13.471 -11.122 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.748 -8.345 -2.891 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.525 -9.831 -2.383 1.00 0.01 H new ATOM 0 HG2 ARG B 597 14.571 -9.239 -5.210 1.00 1.27 H new ATOM 0 HG3 ARG B 597 16.227 -9.099 -4.654 1.00 1.27 H new ATOM 0 HD2 ARG B 597 16.210 -11.534 -4.060 1.00 1.71 H new ATOM 0 HD3 ARG B 597 14.575 -11.658 -4.680 1.00 1.71 H new ATOM 0 HE ARG B 597 16.457 -10.546 -6.628 1.00 2.17 H new ATOM 0 HH11 ARG B 597 15.101 -13.493 -5.227 1.00 3.29 H new ATOM 0 HH12 ARG B 597 15.471 -14.473 -6.650 1.00 3.29 H new ATOM 0 HH21 ARG B 597 16.926 -11.815 -8.447 1.00 3.74 H new ATOM 0 HH22 ARG B 597 16.498 -13.529 -8.461 1.00 3.74 H new ATOM 1947 N HIS B 598 12.337 -8.626 -1.191 1.00 0.00 N ATOM 1948 CA HIS B 598 11.991 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -9.000 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.763 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.483 -6.692 0.040 1.00 0.02 C ATOM 1952 CG HIS B 598 12.371 -5.811 -0.778 1.00 0.83 C ATOM 1953 ND1 HIS B 598 12.088 -5.464 -2.081 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.550 -5.218 -0.479 1.00 1.62 C ATOM 1955 CE1 HIS B 598 13.056 -4.697 -2.549 1.00 2.14 C ATOM 1956 NE2 HIS B 598 13.955 -4.532 -1.596 1.00 2.04 N ATOM 0 H HIS B 598 12.004 -8.037 -1.954 1.00 0.00 H new ATOM 0 HA HIS B 598 12.895 -8.163 0.743 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.483 -6.694 -0.394 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.394 -6.277 1.044 1.00 0.02 H new ATOM 0 HD2 HIS B 598 14.074 -5.274 0.463 1.00 1.62 H new ATOM 0 HE1 HIS B 598 13.104 -4.276 -3.542 1.00 2.14 H new ATOM 0 HE2 HIS B 598 14.811 -3.984 -1.677 1.00 2.04 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.402 -10.869 0.596 1.00 0.00 C ATOM 1967 C PHE B 599 9.969 -12.221 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.717 1.00 0.00 O ATOM 1969 CB PHE B 599 8.306 -11.047 -0.456 1.00 0.06 C ATOM 1970 CG PHE B 599 7.517 -9.797 -0.721 1.00 1.01 C ATOM 1971 CD1 PHE B 599 6.600 -9.331 0.207 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.695 -9.088 -1.898 1.00 1.40 C ATOM 1973 CE1 PHE B 599 5.874 -8.180 -0.035 1.00 2.87 C ATOM 1974 CE2 PHE B 599 6.973 -7.937 -2.145 1.00 2.28 C ATOM 1975 CZ PHE B 599 6.054 -7.485 -1.210 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.236 -0.848 1.00 0.00 H new ATOM 0 HA PHE B 599 8.966 -10.399 1.478 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.760 -11.384 -1.388 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.626 -11.834 -0.130 1.00 0.06 H new ATOM 0 HD1 PHE B 599 6.451 -9.873 1.129 1.00 1.94 H new ATOM 0 HD2 PHE B 599 8.406 -9.439 -2.631 1.00 1.40 H new ATOM 0 HE1 PHE B 599 5.165 -7.825 0.698 1.00 2.87 H new ATOM 0 HE2 PHE B 599 7.124 -7.390 -3.064 1.00 2.28 H new ATOM 0 HZ PHE B 599 5.481 -6.590 -1.403 1.00 2.95 H new ATOM 1985 N VAL B 600 11.173 -12.491 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.989 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.376 -14.626 2.345 1.00 0.00 O ATOM 1989 CB VAL B 600 12.394 -14.315 -0.658 1.00 0.01 C ATOM 1990 CG1 VAL B 600 13.414 -13.360 -1.257 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.000 -15.697 -0.462 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.820 -0.055 1.00 0.00 H new ATOM 0 HA VAL B 600 11.095 -14.463 1.056 1.00 0.00 H new ATOM 0 HB VAL B 600 11.562 -14.403 -1.357 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.788 -13.769 -2.196 1.00 1.42 H new ATOM 0 HG12 VAL B 600 12.943 -12.395 -1.443 1.00 1.42 H new ATOM 0 HG13 VAL B 600 14.244 -13.231 -0.562 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.382 -16.065 -1.414 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.816 -15.638 0.258 1.00 1.42 H new ATOM 0 HG23 VAL B 600 12.236 -16.380 -0.090 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.866 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.867 1.00 0.00 C ATOM 2003 C GLN B 601 13.993 -11.604 4.127 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.691 4.050 1.00 0.00 O ATOM 2005 CB GLN B 601 15.693 -11.420 2.299 1.00 0.01 C ATOM 2006 CG GLN B 601 15.299 -9.985 1.990 1.00 1.31 C ATOM 2007 CD GLN B 601 16.448 -9.174 1.425 1.00 1.73 C ATOM 2008 OE1 GLN B 601 17.611 -9.425 1.736 1.00 2.34 O ATOM 2009 NE2 GLN B 601 16.126 -8.194 0.588 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.621 1.337 1.00 0.00 H new ATOM 0 HA GLN B 601 14.930 -13.249 3.142 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.518 -11.415 3.011 1.00 0.01 H new ATOM 0 HB3 GLN B 601 16.062 -11.890 1.387 1.00 0.01 H new ATOM 0 HG2 GLN B 601 14.474 -9.984 1.278 1.00 1.31 H new ATOM 0 HG3 GLN B 601 14.935 -9.508 2.900 1.00 1.31 H new ATOM 0 HE21 GLN B 601 15.148 -8.021 0.358 1.00 2.31 H new ATOM 0 HE22 GLN B 601 16.857 -7.615 0.176 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.071 6.626 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.460 1.00 0.00 O ATOM 2022 CB VAL B 602 14.627 -12.288 7.759 1.00 0.01 C ATOM 2023 CG1 VAL B 602 13.972 -13.652 7.924 1.00 1.37 C ATOM 2024 CG2 VAL B 602 16.132 -12.433 7.585 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.840 5.366 1.00 0.00 H new ATOM 0 HA VAL B 602 12.927 -11.649 6.638 1.00 0.00 H new ATOM 0 HB VAL B 602 14.445 -11.707 8.663 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.421 -14.171 8.771 1.00 1.37 H new ATOM 0 HG12 VAL B 602 12.904 -13.524 8.102 1.00 1.37 H new ATOM 0 HG13 VAL B 602 14.121 -14.239 7.018 1.00 1.37 H new ATOM 0 HG21 VAL B 602 16.547 -12.969 8.439 1.00 1.36 H new ATOM 0 HG22 VAL B 602 16.341 -12.989 6.671 1.00 1.36 H new ATOM 0 HG23 VAL B 602 16.588 -11.445 7.520 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.830 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.859 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.289 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.052 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.418 -7.021 6.264 1.00 0.02 C ATOM 2039 CG GLN B 603 12.270 -7.209 4.763 1.00 1.20 C ATOM 2040 CD GLN B 603 13.453 -6.660 3.987 1.00 1.93 C ATOM 2041 OE1 GLN B 603 14.100 -5.703 4.415 1.00 2.58 O ATOM 2042 NE2 GLN B 603 13.741 -7.263 2.841 1.00 2.68 N ATOM 0 H GLN B 603 12.431 -9.488 6.979 1.00 0.00 H new ATOM 0 HA GLN B 603 14.493 -7.534 6.255 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.508 -7.364 6.756 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.516 -5.957 6.480 1.00 0.02 H new ATOM 0 HG2 GLN B 603 12.157 -8.271 4.543 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.359 -6.715 4.427 1.00 1.20 H new ATOM 0 HE21 GLN B 603 13.178 -8.053 2.525 1.00 2.68 H new ATOM 0 HE22 GLN B 603 14.525 -6.937 2.276 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -5.603 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.454 -5.354 10.693 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.519 -4.313 9.749 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.910 -3.860 11.147 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.753 -4.524 8.887 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.720 1.00 0.00 H new ATOM 0 HA VAL B 604 15.256 -6.410 10.256 1.00 0.00 H new ATOM 0 HB VAL B 604 14.914 -3.528 9.296 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.505 -2.949 11.081 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.011 -3.665 11.731 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.495 -4.641 11.632 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.337 -3.604 8.856 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.360 -5.325 9.310 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.449 -4.795 7.876 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -5.932 11.883 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.851 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.400 -7.022 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.267 -6.460 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.687 -5.814 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.923 12.586 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.198 11.668 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.449 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.433 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.249 -9.209 10.318 1.00 0.02 C ATOM 2079 CG GLU B 606 9.196 -8.122 10.177 1.00 1.16 C ATOM 2080 CD GLU B 606 8.027 -8.315 11.124 1.00 1.64 C ATOM 2081 OE1 GLU B 606 7.131 -9.125 10.803 1.00 1.84 O ATOM 2082 OE2 GLU B 606 8.005 -7.657 12.186 1.00 2.51 O ATOM 0 H GLU B 606 12.639 -7.992 11.233 1.00 0.00 H new ATOM 0 HA GLU B 606 10.226 -9.188 12.467 1.00 0.00 H new ATOM 0 HB2 GLU B 606 10.986 -9.094 9.523 1.00 0.02 H new ATOM 0 HB3 GLU B 606 9.776 -10.181 10.176 1.00 0.02 H new ATOM 0 HG2 GLU B 606 9.654 -7.151 10.365 1.00 1.16 H new ATOM 0 HG3 GLU B 606 8.829 -8.108 9.151 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.162 1.00 0.00 N ATOM 2090 CA VAL B 607 11.814 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.796 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.485 -14.713 11.185 1.00 0.00 O ATOM 2093 CB VAL B 607 11.264 -13.439 13.734 1.00 0.01 C ATOM 2094 CG1 VAL B 607 11.648 -12.609 14.949 1.00 1.40 C ATOM 2095 CG2 VAL B 607 9.752 -13.600 13.649 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.258 1.00 0.00 H new ATOM 0 HA VAL B 607 12.870 -12.560 12.575 1.00 0.00 H new ATOM 0 HB VAL B 607 11.707 -14.429 13.842 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.251 -13.077 15.850 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.734 -12.549 15.020 1.00 1.40 H new ATOM 0 HG13 VAL B 607 11.235 -11.605 14.849 1.00 1.40 H new ATOM 0 HG21 VAL B 607 9.382 -14.054 14.568 1.00 1.40 H new ATOM 0 HG22 VAL B 607 9.289 -12.622 13.516 1.00 1.40 H new ATOM 0 HG23 VAL B 607 9.501 -14.239 12.802 1.00 1.40 H new ATOM 2105 N MET B 608 10.664 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.376 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.938 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.928 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.215 -15.496 9.837 1.00 0.01 C ATOM 2110 CG MET B 608 9.512 -16.333 11.071 1.00 1.32 C ATOM 2111 SD MET B 608 10.843 -17.518 10.802 1.00 2.02 S ATOM 2112 CE MET B 608 10.130 -18.541 9.516 1.00 2.68 C ATOM 0 H MET B 608 10.030 -12.823 10.488 1.00 0.00 H new ATOM 0 HA MET B 608 11.281 -15.186 9.266 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.339 -14.877 10.031 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.959 -16.160 9.011 1.00 0.01 H new ATOM 0 HG2 MET B 608 9.779 -15.674 11.897 1.00 1.32 H new ATOM 0 HG3 MET B 608 8.610 -16.867 11.369 1.00 1.32 H new ATOM 0 HE1 MET B 608 10.126 -19.582 9.840 1.00 2.68 H new ATOM 0 HE2 MET B 608 9.108 -18.218 9.319 1.00 2.68 H new ATOM 0 HE3 MET B 608 10.722 -18.447 8.606 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.221 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.432 1.00 0.00 C ATOM 2125 O PRO B 609 7.905 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.730 -15.085 4.694 1.00 0.01 C ATOM 2127 CG PRO B 609 10.999 -16.286 5.545 1.00 0.43 C ATOM 2128 CD PRO B 609 11.299 -15.771 6.922 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.028 5.499 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.989 -15.308 3.927 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.634 -14.761 4.179 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.137 -16.953 5.559 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.839 -16.859 5.153 1.00 0.43 H new ATOM 0 HD2 PRO B 609 11.006 -16.483 7.694 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.362 -15.573 7.058 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.960 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.159 -13.135 3.949 1.00 0.00 C ATOM 2139 O PHE B 610 4.970 -13.345 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.864 -10.751 4.200 1.00 0.01 C ATOM 2141 CG PHE B 610 7.441 -9.660 5.057 1.00 0.79 C ATOM 2142 CD1 PHE B 610 8.795 -9.635 5.352 1.00 1.65 C ATOM 2143 CD2 PHE B 610 6.631 -8.657 5.563 1.00 0.80 C ATOM 2144 CE1 PHE B 610 9.329 -8.632 6.133 1.00 2.37 C ATOM 2145 CE2 PHE B 610 7.161 -7.650 6.346 1.00 1.48 C ATOM 2146 CZ PHE B 610 8.512 -7.638 6.632 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.843 4.641 1.00 0.00 H new ATOM 0 HA PHE B 610 6.533 -12.145 5.821 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.379 -10.754 3.239 1.00 0.01 H new ATOM 0 HB3 PHE B 610 5.817 -10.525 4.000 1.00 0.01 H new ATOM 0 HD1 PHE B 610 9.440 -10.411 4.965 1.00 1.65 H new ATOM 0 HD2 PHE B 610 5.574 -8.662 5.343 1.00 0.80 H new ATOM 0 HE1 PHE B 610 10.386 -8.624 6.354 1.00 2.37 H new ATOM 0 HE2 PHE B 610 6.519 -6.873 6.734 1.00 1.48 H new ATOM 0 HZ PHE B 610 8.928 -6.852 7.245 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.151 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.188 -15.445 1.170 1.00 0.02 C ATOM 2161 CG1 ILE B 611 8.438 -15.863 1.951 1.00 1.20 C ATOM 2162 CG2 ILE B 611 7.546 -14.549 -0.005 1.00 1.20 C ATOM 2163 CD1 ILE B 611 9.423 -16.679 1.136 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.576 2.750 1.00 0.00 H new ATOM 0 HA ILE B 611 5.471 -14.188 1.476 1.00 0.00 H new ATOM 0 HB ILE B 611 6.724 -16.349 0.776 1.00 0.02 H new ATOM 0 HG12 ILE B 611 8.940 -14.969 2.322 1.00 1.20 H new ATOM 0 HG13 ILE B 611 8.134 -16.442 2.823 1.00 1.20 H new ATOM 0 HG21 ILE B 611 8.258 -15.063 -0.651 1.00 1.20 H new ATOM 0 HG22 ILE B 611 6.645 -14.315 -0.572 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.992 -13.626 0.364 1.00 1.20 H new ATOM 0 HD11 ILE B 611 10.282 -16.938 1.756 1.00 1.84 H new ATOM 0 HD12 ILE B 611 8.939 -17.591 0.787 1.00 1.84 H new ATOM 0 HD13 ILE B 611 9.757 -16.095 0.278 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.267 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.564 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.837 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.394 1.00 0.00 O ATOM 2179 CB ASP B 612 6.523 -17.419 6.096 1.00 0.01 C ATOM 2180 CG ASP B 612 6.022 -18.444 7.095 1.00 1.14 C ATOM 2181 OD1 ASP B 612 6.332 -19.641 6.921 1.00 1.26 O ATOM 2182 OD2 ASP B 612 5.321 -18.049 8.050 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.983 4.207 1.00 0.00 H new ATOM 0 HA ASP B 612 5.446 -18.171 4.375 1.00 0.00 H new ATOM 0 HB2 ASP B 612 7.499 -17.728 5.721 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.664 -16.463 6.600 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.620 5.948 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.155 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.562 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.915 -13.740 7.028 1.00 0.01 C ATOM 2192 CG GLU B 613 3.893 -13.643 8.190 1.00 1.17 C ATOM 2193 CD GLU B 613 4.018 -12.231 8.731 1.00 1.82 C ATOM 2194 OE1 GLU B 613 4.865 -11.471 8.215 1.00 2.66 O ATOM 2195 OE2 GLU B 613 3.270 -11.887 9.670 1.00 2.11 O ATOM 0 H GLU B 613 4.826 -14.945 6.018 1.00 0.00 H new ATOM 0 HA GLU B 613 2.464 -15.825 7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.238 -13.066 6.234 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.935 -13.396 7.359 1.00 0.01 H new ATOM 0 HG2 GLU B 613 3.567 -14.307 8.990 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.873 -13.992 7.865 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.838 4.144 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.856 3.011 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.287 2.700 1.00 0.00 C ATOM 2205 O ILE B 614 -0.444 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.920 -14.275 1.749 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.481 -12.881 2.040 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.922 -14.222 0.600 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.322 -12.319 0.915 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.554 3.924 1.00 0.00 H new ATOM 0 HA ILE B 614 0.401 -14.236 3.292 1.00 0.00 H new ATOM 0 HB ILE B 614 2.745 -14.925 1.458 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.654 -12.200 2.239 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.084 -12.923 2.947 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.407 -13.809 -0.285 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.565 -15.228 0.382 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.079 -13.590 0.879 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.685 -11.329 1.192 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.170 -12.978 0.730 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.717 -12.244 0.011 1.00 1.76 H new ATOM 2221 N LEU B 615 1.669 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.354 -20.158 2.977 1.00 0.00 O ATOM 2225 CB LEU B 615 2.647 -19.442 2.186 1.00 0.01 C ATOM 2226 CG LEU B 615 2.463 -20.911 1.797 1.00 1.09 C ATOM 2227 CD1 LEU B 615 1.882 -21.028 0.396 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.788 -21.652 1.887 1.00 1.84 C ATOM 0 H LEU B 615 2.660 -17.072 2.807 1.00 0.00 H new ATOM 0 HA LEU B 615 0.824 -18.618 1.354 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.289 -18.965 1.445 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.174 -19.399 3.139 1.00 0.01 H new ATOM 0 HG LEU B 615 1.762 -21.366 2.496 1.00 1.09 H new ATOM 0 HD11 LEU B 615 1.759 -22.080 0.140 1.00 1.70 H new ATOM 0 HD12 LEU B 615 0.913 -20.531 0.361 1.00 1.70 H new ATOM 0 HD13 LEU B 615 2.557 -20.557 -0.318 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.641 -22.695 1.607 1.00 1.84 H new ATOM 0 HD22 LEU B 615 4.508 -21.193 1.210 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.166 -21.600 2.908 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.645 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.707 1.00 0.00 C ATOM 2243 O ASN B 616 -2.500 -19.270 6.570 1.00 0.00 O ATOM 2244 CB ASN B 616 0.412 -19.219 6.992 1.00 0.02 C ATOM 2245 CG ASN B 616 1.813 -19.802 7.019 1.00 1.19 C ATOM 2246 OD1 ASN B 616 2.098 -20.792 6.345 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.696 -19.188 7.799 1.00 1.95 N ATOM 0 H ASN B 616 1.190 -18.139 4.886 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.376 -20.494 5.415 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.461 -18.152 7.208 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.185 -19.677 7.781 1.00 0.02 H new ATOM 0 HD21 ASN B 616 3.654 -19.534 7.856 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.416 -18.370 8.341 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 4.761 1.00 0.00 C ATOM 2256 C ASN B 617 -3.877 -17.110 3.368 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.164 -15.945 5.451 1.00 0.03 C ATOM 2259 CG ASN B 617 -3.045 -16.071 6.958 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -4.046 -16.046 7.674 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -1.818 -16.209 7.447 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.761 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.021 -17.927 5.305 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -2.282 -15.437 5.061 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -4.024 -15.321 5.208 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.677 -16.299 8.453 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -1.016 -16.225 6.816 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.358 -17.845 2.397 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.025 1.00 0.00 C ATOM 2270 C ILE B 618 -5.340 -17.583 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.318 -18.744 0.074 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.619 -20.133 0.648 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -1.825 -18.580 -0.175 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.253 -21.268 -0.286 1.00 2.01 C ATOM 0 H ILE B 618 -2.644 -18.563 2.518 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.414 -16.687 0.681 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.844 -18.650 -0.876 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -3.076 -20.255 1.585 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -4.681 -20.197 0.885 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -1.480 -19.366 -0.847 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -1.636 -17.607 -0.628 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -1.288 -18.650 0.771 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.494 -22.220 0.187 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -3.816 -21.171 -1.214 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -2.186 -21.231 -0.503 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.975 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.421 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.400 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.784 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.892 -19.881 2.336 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.398 -21.146 1.661 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -6.327 -21.657 1.983 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -8.181 -21.657 0.717 1.00 2.18 N ATOM 0 H ASN B 619 -5.518 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.695 -18.641 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.541 -19.862 3.368 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -8.981 -19.892 2.370 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -7.901 -22.507 0.227 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -9.062 -21.199 0.482 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.640 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.098 -13.803 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.750 -15.585 5.446 1.00 0.02 C ATOM 2306 OG1 THR B 620 -7.819 -16.759 6.266 1.00 1.27 O ATOM 2307 CG2 THR B 620 -8.479 -14.439 6.133 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.491 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.418 -16.107 4.182 1.00 0.00 H new ATOM 0 HB THR B 620 -6.707 -15.299 5.306 1.00 0.02 H new ATOM 0 HG1 THR B 620 -7.428 -16.568 7.144 1.00 1.27 H new ATOM 0 HG21 THR B 620 -8.030 -14.255 7.109 1.00 1.32 H new ATOM 0 HG22 THR B 620 -8.400 -13.540 5.522 1.00 1.32 H new ATOM 0 HG23 THR B 620 -9.530 -14.700 6.260 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.545 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.376 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.334 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.380 -13.115 1.295 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -5.216 -11.892 0.385 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.715 -14.321 0.668 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.776 -11.453 0.206 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.251 2.393 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.290 -12.565 2.179 1.00 0.00 H new ATOM 0 HB ILE B 621 -4.892 -12.920 2.250 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -5.642 -12.118 -0.593 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.790 -11.063 0.799 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.663 -14.102 0.484 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -4.796 -15.173 1.343 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -5.207 -14.558 -0.276 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -3.740 -10.583 -0.450 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.351 -11.194 1.176 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -3.200 -12.266 -0.237 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.515 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.391 -14.530 -1.730 1.00 0.00 C ATOM 2336 C ILE B 622 -9.900 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.712 -2.677 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.755 -15.568 -2.676 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.975 -16.986 -2.142 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.271 -15.285 -2.849 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.599 -18.071 -3.129 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.406 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.266 -13.515 -2.106 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.237 -15.491 -3.651 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.391 -17.117 -1.231 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -9.023 -17.103 -1.868 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.835 -16.026 -3.519 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.137 -14.289 -3.272 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.775 -15.337 -1.880 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.781 -19.048 -2.682 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -8.201 -17.967 -4.031 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.543 -17.980 -3.385 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.385 -15.123 -0.471 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.811 -15.424 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.596 -15.692 -1.776 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.190 -14.880 1.173 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.901 -15.208 1.653 1.00 1.47 S ATOM 0 H CYS B 623 -9.799 -15.183 0.362 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.877 -16.510 -0.263 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.525 -15.316 1.919 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -12.021 -13.803 1.185 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.123 -14.711 2.833 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.403 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.490 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.110 -11.568 -1.315 1.00 0.01 C ATOM 2369 CG ASP B 624 -15.325 -10.838 -1.854 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -16.447 -11.128 -1.388 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -15.155 -9.978 -2.744 1.00 2.07 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.094 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.735 -13.495 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -14.257 -11.777 -0.255 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -13.237 -10.921 -1.394 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.883 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.755 -12.555 -5.212 1.00 0.00 C ATOM 2378 C LEU B 625 -12.403 -13.418 -6.308 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.585 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.235 -12.727 -5.271 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.439 -11.886 -4.274 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -7.953 -12.186 -4.398 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -9.707 -10.405 -4.492 1.00 1.67 C ATOM 0 H LEU B 625 -11.579 -13.402 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.019 -11.513 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.999 -13.778 -5.103 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.898 -12.481 -6.278 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.761 -12.146 -3.266 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -7.398 -11.580 -3.682 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -7.777 -13.242 -4.193 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -7.618 -11.952 -5.408 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -9.132 -9.821 -3.773 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -9.412 -10.127 -5.504 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -10.769 -10.204 -4.355 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.603 -12.840 -7.493 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.585 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.416 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.132 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.647 -12.618 -9.707 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.768 -11.720 -9.208 1.00 0.94 C ATOM 2401 CD GLN B 626 -16.053 -12.479 -8.942 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -16.879 -12.657 -9.837 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -16.233 -12.924 -7.704 1.00 2.33 N ATOM 0 H GLN B 626 -12.423 -11.853 -7.679 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.920 -14.240 -8.335 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.829 -11.995 -10.067 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -14.008 -13.194 -10.559 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -14.449 -11.223 -8.292 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -14.958 -10.940 -9.945 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -15.522 -12.754 -6.993 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -17.082 -13.436 -7.464 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.304 -15.426 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.276 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.022 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.049 -17.076 -11.679 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.453 -17.108 -11.180 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.666 -15.809 -10.452 1.00 0.01 C ATOM 0 HA PRO B 627 -10.820 -16.908 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.984 -16.582 -12.648 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.651 -18.083 -11.807 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.158 -17.213 -12.005 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.611 -17.958 -10.516 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.115 -15.055 -11.098 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.330 -15.932 -9.597 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.732 1.00 0.00 C ATOM 2428 C GLN B 628 -8.313 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.858 -12.860 -13.705 1.00 0.01 C ATOM 2431 CG GLN B 628 -8.852 -12.316 -14.711 1.00 1.30 C ATOM 2432 CD GLN B 628 -7.881 -11.320 -14.103 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -6.734 -11.214 -14.537 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -8.336 -10.581 -13.098 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.141 -12.129 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.726 -14.635 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.687 -13.315 -14.247 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -10.269 -12.029 -13.133 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -8.291 -13.146 -15.140 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -9.389 -11.837 -15.530 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -9.294 -10.701 -12.769 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -7.727 -9.893 -12.655 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.097 -11.895 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.269 -12.897 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.627 -8.557 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.019 -11.122 -8.766 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.865 -10.076 -9.473 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.882 -9.427 -8.553 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -11.960 -9.026 -8.989 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -10.540 -9.318 -7.274 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.481 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.417 -11.196 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.676 -11.825 -8.255 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.417 -10.634 -8.000 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.213 -9.307 -9.888 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.384 -10.540 -10.312 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -9.635 -9.665 -6.957 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -11.183 -8.887 -6.609 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.068 -8.665 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.132 -7.976 1.00 0.00 C ATOM 2462 C VAL B 630 -5.862 -15.525 -8.767 1.00 0.00 C ATOM 2463 O VAL B 630 -5.984 -16.353 -9.693 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.988 -16.380 -7.742 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.196 -17.471 -7.035 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.229 -16.014 -6.941 1.00 1.30 C ATOM 2467 OXT VAL B 630 -4.773 -14.999 -8.451 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.305 -8.916 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.814 -14.737 -7.004 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.304 -16.764 -8.712 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.834 -18.341 -6.880 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.339 -17.753 -7.647 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.847 -17.101 -6.071 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.837 -16.905 -6.785 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.931 -15.604 -5.976 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.809 -15.270 -7.488 1.00 1.30 H new TER 2477 VAL B 630