USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 924 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 11 LYS NZ :NH3+ -110:sc= 0.216 (180deg=-0.728) USER MOD Set 1.2: B 19 TYR OH : rot 110:sc= 0.385 USER MOD Set 2.1: A 77 GLN : amide:sc= -0.0192 X(o=-0.058,f=-0.42) USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= -0.0383 F(o=-0.74,f=-0.058) USER MOD Set 3.1: A 61 SER OG : rot 160:sc= -0.847 USER MOD Set 3.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 58 MET CE :methyl -173:sc= -2.9! (180deg=-3.25!) USER MOD Set 4.2: A 68 LYS NZ :NH3+ 138:sc= -2.91! (180deg=-3.14!) USER MOD Set 5.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 5.2: A 11 MET CE :methyl 148:sc= -1.62 (180deg=-4.72!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -5.66! C(o=-5.7!,f=-9.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -107:sc= -3.24! (180deg=-7.48!) USER MOD Single : A 33 GLN : amide:sc= -2.72! C(o=-2.7!,f=-6!) USER MOD Single : A 35 MET CE :methyl -169:sc= -4.28! (180deg=-5.42!) USER MOD Single : A 36 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= -0.501 (180deg=-0.506) USER MOD Single : A 44 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 46 MET CE :methyl 144:sc= -15.6! (180deg=-22.1!) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.332 F(o=-0.99,f=0.33) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HE2:sc= -0.115 F(o=-1.7!,f=-0.12) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.252 (180deg=-0.976) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= 3.2e-05 F(o=-1.1,f=3.2e-05) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 115:sc= 0.27 USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00309 USER MOD Single : B 1 VAL N :NH3+ 137:sc= 0.0129 (180deg=-0.148) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot -170:sc= 0.184 USER MOD Single : B 5 ASN :FLIP amide:sc= -1.17 F(o=-2.8!,f=-1.2) USER MOD Single : B 7 ASN :FLIP amide:sc= -1.59 F(o=-7.5!,f=-1.6) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0218) USER MOD Single : B 21 ASN : amide:sc= 0.0528 K(o=0.053,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.289 -17.038 -17.860 1.00 0.00 N ATOM 2 CA GLY A 1 -15.603 -15.924 -18.572 1.00 0.00 C ATOM 3 C GLY A 1 -14.306 -15.515 -17.896 1.00 0.00 C ATOM 4 O GLY A 1 -13.383 -16.324 -17.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.168 -17.280 -18.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.665 -17.870 -17.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.513 -16.743 -16.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.395 -16.226 -19.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.270 -15.063 -18.622 1.00 0.00 H new ATOM 10 N PRO A 2 -14.201 -14.258 -17.424 1.00 0.00 N ATOM 11 CA PRO A 2 -12.993 -13.762 -16.754 1.00 0.00 C ATOM 12 C PRO A 2 -12.617 -14.607 -15.542 1.00 0.00 C ATOM 13 O PRO A 2 -13.481 -15.005 -14.760 1.00 0.00 O ATOM 14 CB PRO A 2 -13.375 -12.344 -16.318 1.00 0.00 C ATOM 15 CG PRO A 2 -14.494 -11.954 -17.220 1.00 0.00 C ATOM 16 CD PRO A 2 -15.247 -13.222 -17.510 1.00 0.00 C ATOM 0 HA PRO A 2 -12.123 -13.797 -17.410 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.684 -12.322 -15.273 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.532 -11.660 -16.416 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.140 -11.216 -16.745 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.117 -11.504 -18.139 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.044 -13.392 -16.786 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.712 -13.199 -18.496 1.00 0.00 H new ATOM 24 N LEU A 3 -11.325 -14.877 -15.392 1.00 0.00 N ATOM 25 CA LEU A 3 -10.834 -15.673 -14.273 1.00 0.00 C ATOM 26 C LEU A 3 -10.717 -14.824 -13.011 1.00 0.00 C ATOM 27 O LEU A 3 -11.003 -13.627 -13.029 1.00 0.00 O ATOM 28 CB LEU A 3 -9.475 -16.291 -14.612 1.00 0.00 C ATOM 29 CG LEU A 3 -9.303 -16.719 -16.072 1.00 0.00 C ATOM 30 CD1 LEU A 3 -8.482 -15.691 -16.835 1.00 0.00 C ATOM 31 CD2 LEU A 3 -8.649 -18.091 -16.150 1.00 0.00 C ATOM 0 H LEU A 3 -10.598 -14.556 -16.032 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.552 -16.472 -14.088 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.694 -15.571 -14.366 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.319 -17.161 -13.974 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.289 -16.781 -16.533 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.370 -16.011 -17.871 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.989 -14.727 -16.806 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.498 -15.597 -16.375 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.534 -18.380 -17.195 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.669 -18.055 -15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.275 -18.822 -15.638 1.00 0.00 H new ATOM 43 N GLY A 4 -10.292 -15.451 -11.918 1.00 0.00 N ATOM 44 CA GLY A 4 -10.145 -14.738 -10.662 1.00 0.00 C ATOM 45 C GLY A 4 -8.770 -14.114 -10.502 1.00 0.00 C ATOM 46 O GLY A 4 -7.969 -14.564 -9.684 1.00 0.00 O ATOM 0 H GLY A 4 -10.047 -16.440 -11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.903 -13.958 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.327 -15.425 -9.835 1.00 0.00 H new ATOM 50 N SER A 5 -8.501 -13.072 -11.284 1.00 0.00 N ATOM 51 CA SER A 5 -7.216 -12.384 -11.228 1.00 0.00 C ATOM 52 C SER A 5 -7.259 -11.191 -10.265 1.00 0.00 C ATOM 53 O SER A 5 -6.395 -11.066 -9.397 1.00 0.00 O ATOM 54 CB SER A 5 -6.794 -11.920 -12.625 1.00 0.00 C ATOM 55 OG SER A 5 -5.468 -12.323 -12.919 1.00 0.00 O ATOM 0 H SER A 5 -9.156 -12.686 -11.964 1.00 0.00 H new ATOM 0 HA SER A 5 -6.479 -13.093 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.476 -12.332 -13.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.870 -10.835 -12.689 1.00 0.00 H new ATOM 0 HG SER A 5 -5.224 -12.016 -13.817 1.00 0.00 H new ATOM 61 N PRO A 6 -8.259 -10.290 -10.399 1.00 0.00 N ATOM 62 CA PRO A 6 -8.378 -9.118 -9.521 1.00 0.00 C ATOM 63 C PRO A 6 -8.629 -9.508 -8.068 1.00 0.00 C ATOM 64 O PRO A 6 -9.533 -10.290 -7.772 1.00 0.00 O ATOM 65 CB PRO A 6 -9.579 -8.353 -10.088 1.00 0.00 C ATOM 66 CG PRO A 6 -10.357 -9.370 -10.850 1.00 0.00 C ATOM 67 CD PRO A 6 -9.345 -10.336 -11.396 1.00 0.00 C ATOM 0 HA PRO A 6 -7.460 -8.531 -9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.179 -7.913 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.258 -7.536 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.074 -9.878 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.927 -8.904 -11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.759 -11.340 -11.494 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.996 -10.037 -12.385 1.00 0.00 H new ATOM 75 N LEU A 7 -7.818 -8.963 -7.166 1.00 0.00 N ATOM 76 CA LEU A 7 -7.946 -9.261 -5.743 1.00 0.00 C ATOM 77 C LEU A 7 -8.670 -8.138 -5.006 1.00 0.00 C ATOM 78 O LEU A 7 -9.772 -8.333 -4.492 1.00 0.00 O ATOM 79 CB LEU A 7 -6.567 -9.486 -5.119 1.00 0.00 C ATOM 80 CG LEU A 7 -5.433 -8.662 -5.732 1.00 0.00 C ATOM 81 CD1 LEU A 7 -4.538 -8.094 -4.642 1.00 0.00 C ATOM 82 CD2 LEU A 7 -4.624 -9.507 -6.704 1.00 0.00 C ATOM 0 H LEU A 7 -7.066 -8.313 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.537 -10.172 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.626 -9.258 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.315 -10.543 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.871 -7.830 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.737 -7.511 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.126 -7.453 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.108 -8.911 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.822 -8.904 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.196 -10.359 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.273 -9.864 -7.503 1.00 0.00 H new ATOM 94 N THR A 8 -8.063 -6.956 -4.987 1.00 0.00 N ATOM 95 CA THR A 8 -8.640 -5.808 -4.298 1.00 0.00 C ATOM 96 C THR A 8 -9.578 -5.043 -5.222 1.00 0.00 C ATOM 97 O THR A 8 -10.584 -4.494 -4.776 1.00 0.00 O ATOM 98 CB THR A 8 -7.534 -4.883 -3.781 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.056 -3.957 -2.844 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.844 -4.091 -4.873 1.00 0.00 C ATOM 0 H THR A 8 -7.170 -6.768 -5.442 1.00 0.00 H new ATOM 0 HA THR A 8 -9.215 -6.174 -3.447 1.00 0.00 H new ATOM 0 HB THR A 8 -6.800 -5.545 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.420 -3.843 -2.107 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.073 -3.459 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.387 -4.777 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.575 -3.467 -5.387 1.00 0.00 H new ATOM 108 N ALA A 9 -9.254 -5.023 -6.511 1.00 0.00 N ATOM 109 CA ALA A 9 -10.108 -4.371 -7.493 1.00 0.00 C ATOM 110 C ALA A 9 -11.484 -5.018 -7.475 1.00 0.00 C ATOM 111 O ALA A 9 -12.507 -4.347 -7.625 1.00 0.00 O ATOM 112 CB ALA A 9 -9.495 -4.449 -8.880 1.00 0.00 C ATOM 0 H ALA A 9 -8.411 -5.449 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.206 -3.317 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.152 -3.955 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.524 -3.954 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.369 -5.494 -9.164 1.00 0.00 H new ATOM 118 N SER A 10 -11.497 -6.328 -7.252 1.00 0.00 N ATOM 119 CA SER A 10 -12.739 -7.076 -7.150 1.00 0.00 C ATOM 120 C SER A 10 -13.445 -6.725 -5.848 1.00 0.00 C ATOM 121 O SER A 10 -14.672 -6.638 -5.802 1.00 0.00 O ATOM 122 CB SER A 10 -12.463 -8.580 -7.213 1.00 0.00 C ATOM 123 OG SER A 10 -13.637 -9.301 -7.546 1.00 0.00 O ATOM 0 H SER A 10 -10.656 -6.893 -7.138 1.00 0.00 H new ATOM 0 HA SER A 10 -13.382 -6.808 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.688 -8.780 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.082 -8.924 -6.251 1.00 0.00 H new ATOM 0 HG SER A 10 -13.434 -10.259 -7.581 1.00 0.00 H new ATOM 129 N MET A 11 -12.659 -6.475 -4.800 1.00 0.00 N ATOM 130 CA MET A 11 -13.220 -6.080 -3.515 1.00 0.00 C ATOM 131 C MET A 11 -13.919 -4.738 -3.648 1.00 0.00 C ATOM 132 O MET A 11 -14.957 -4.507 -3.034 1.00 0.00 O ATOM 133 CB MET A 11 -12.135 -5.982 -2.443 1.00 0.00 C ATOM 134 CG MET A 11 -11.275 -7.229 -2.319 1.00 0.00 C ATOM 135 SD MET A 11 -10.850 -7.614 -0.610 1.00 0.00 S ATOM 136 CE MET A 11 -9.484 -6.489 -0.336 1.00 0.00 C ATOM 0 H MET A 11 -11.641 -6.539 -4.818 1.00 0.00 H new ATOM 0 HA MET A 11 -13.937 -6.844 -3.212 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.492 -5.131 -2.668 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.606 -5.781 -1.481 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.804 -8.075 -2.757 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.360 -7.093 -2.895 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.475 -6.175 0.708 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.546 -6.991 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.599 -5.615 -0.977 1.00 0.00 H new ATOM 146 N LEU A 12 -13.348 -3.864 -4.472 1.00 0.00 N ATOM 147 CA LEU A 12 -13.925 -2.549 -4.715 1.00 0.00 C ATOM 148 C LEU A 12 -15.386 -2.691 -5.120 1.00 0.00 C ATOM 149 O LEU A 12 -16.274 -2.095 -4.511 1.00 0.00 O ATOM 150 CB LEU A 12 -13.146 -1.827 -5.819 1.00 0.00 C ATOM 151 CG LEU A 12 -12.238 -0.681 -5.354 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.350 -1.118 -4.197 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.389 -0.181 -6.514 1.00 0.00 C ATOM 0 H LEU A 12 -12.484 -4.045 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.864 -1.962 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.534 -2.560 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.859 -1.430 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.872 0.133 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.718 -0.285 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.972 -1.431 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.723 -1.951 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.749 0.632 -6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.771 -0.996 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.039 0.180 -7.312 1.00 0.00 H new ATOM 165 N ALA A 13 -15.623 -3.508 -6.140 1.00 0.00 N ATOM 166 CA ALA A 13 -16.974 -3.771 -6.614 1.00 0.00 C ATOM 167 C ALA A 13 -17.784 -4.527 -5.564 1.00 0.00 C ATOM 168 O ALA A 13 -19.011 -4.433 -5.527 1.00 0.00 O ATOM 169 CB ALA A 13 -16.926 -4.559 -7.915 1.00 0.00 C ATOM 0 H ALA A 13 -14.893 -4.001 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.466 -2.816 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.941 -4.751 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.388 -3.984 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.415 -5.507 -7.748 1.00 0.00 H new ATOM 175 N SER A 14 -17.087 -5.281 -4.716 1.00 0.00 N ATOM 176 CA SER A 14 -17.742 -6.079 -3.681 1.00 0.00 C ATOM 177 C SER A 14 -17.659 -5.409 -2.312 1.00 0.00 C ATOM 178 O SER A 14 -17.800 -6.069 -1.281 1.00 0.00 O ATOM 179 CB SER A 14 -17.111 -7.471 -3.614 1.00 0.00 C ATOM 180 OG SER A 14 -18.104 -8.477 -3.514 1.00 0.00 O ATOM 0 H SER A 14 -16.070 -5.356 -4.725 1.00 0.00 H new ATOM 0 HA SER A 14 -18.795 -6.165 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.504 -7.642 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.442 -7.529 -2.755 1.00 0.00 H new ATOM 0 HG SER A 14 -17.675 -9.357 -3.474 1.00 0.00 H new ATOM 186 N ALA A 15 -17.472 -4.093 -2.301 1.00 0.00 N ATOM 187 CA ALA A 15 -17.381 -3.345 -1.052 1.00 0.00 C ATOM 188 C ALA A 15 -18.235 -2.073 -1.108 1.00 0.00 C ATOM 189 O ALA A 15 -17.720 -0.965 -0.957 1.00 0.00 O ATOM 190 CB ALA A 15 -15.932 -3.000 -0.760 1.00 0.00 C ATOM 0 H ALA A 15 -17.381 -3.523 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.766 -3.971 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.872 -2.442 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.350 -3.917 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.532 -2.393 -1.572 1.00 0.00 H new ATOM 196 N PRO A 16 -19.561 -2.218 -1.314 1.00 0.00 N ATOM 197 CA PRO A 16 -20.480 -1.074 -1.427 1.00 0.00 C ATOM 198 C PRO A 16 -20.475 -0.146 -0.201 1.00 0.00 C ATOM 199 O PRO A 16 -20.364 1.071 -0.356 1.00 0.00 O ATOM 200 CB PRO A 16 -21.855 -1.727 -1.608 1.00 0.00 C ATOM 201 CG PRO A 16 -21.562 -3.082 -2.152 1.00 0.00 C ATOM 202 CD PRO A 16 -20.259 -3.501 -1.532 1.00 0.00 C ATOM 0 HA PRO A 16 -20.187 -0.422 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -22.392 -1.788 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.479 -1.152 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -22.357 -3.784 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.488 -3.059 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.413 -4.040 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.693 -4.160 -2.190 1.00 0.00 H new ATOM 210 N PRO A 17 -20.638 -0.679 1.035 1.00 0.00 N ATOM 211 CA PRO A 17 -20.671 0.157 2.243 1.00 0.00 C ATOM 212 C PRO A 17 -19.312 0.759 2.579 1.00 0.00 C ATOM 213 O PRO A 17 -18.445 0.878 1.715 1.00 0.00 O ATOM 214 CB PRO A 17 -21.109 -0.816 3.339 1.00 0.00 C ATOM 215 CG PRO A 17 -20.662 -2.149 2.856 1.00 0.00 C ATOM 216 CD PRO A 17 -20.793 -2.112 1.360 1.00 0.00 C ATOM 0 HA PRO A 17 -21.335 1.013 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.651 -0.567 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -22.189 -0.789 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.632 -2.346 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.274 -2.944 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.028 -2.718 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.759 -2.496 1.032 1.00 0.00 H new ATOM 224 N GLN A 18 -19.144 1.155 3.840 1.00 0.00 N ATOM 225 CA GLN A 18 -17.890 1.739 4.305 1.00 0.00 C ATOM 226 C GLN A 18 -16.812 0.668 4.439 1.00 0.00 C ATOM 227 O GLN A 18 -16.397 0.319 5.544 1.00 0.00 O ATOM 228 CB GLN A 18 -18.099 2.448 5.645 1.00 0.00 C ATOM 229 CG GLN A 18 -19.061 3.622 5.567 1.00 0.00 C ATOM 230 CD GLN A 18 -20.162 3.542 6.606 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.337 3.399 6.272 1.00 0.00 O ATOM 232 NE2 GLN A 18 -19.784 3.637 7.875 1.00 0.00 N ATOM 0 H GLN A 18 -19.864 1.081 4.559 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.559 2.470 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.475 1.729 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.136 2.802 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.507 4.551 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.506 3.657 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.797 3.755 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.480 3.592 8.619 1.00 0.00 H new ATOM 241 N GLU A 19 -16.380 0.138 3.300 1.00 0.00 N ATOM 242 CA GLU A 19 -15.354 -0.891 3.271 1.00 0.00 C ATOM 243 C GLU A 19 -14.020 -0.306 2.822 1.00 0.00 C ATOM 244 O GLU A 19 -13.109 -1.037 2.435 1.00 0.00 O ATOM 245 CB GLU A 19 -15.772 -2.016 2.325 1.00 0.00 C ATOM 246 CG GLU A 19 -15.757 -3.397 2.960 1.00 0.00 C ATOM 247 CD GLU A 19 -16.651 -3.491 4.181 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.876 -3.665 4.008 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.126 -3.395 5.310 1.00 0.00 O ATOM 0 H GLU A 19 -16.729 0.408 2.380 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.237 -1.292 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.776 -1.810 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.106 -2.017 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.077 -4.134 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.735 -3.651 3.243 1.00 0.00 H new ATOM 256 N GLN A 20 -13.922 1.020 2.855 1.00 0.00 N ATOM 257 CA GLN A 20 -12.699 1.706 2.441 1.00 0.00 C ATOM 258 C GLN A 20 -11.493 1.148 3.184 1.00 0.00 C ATOM 259 O GLN A 20 -10.599 0.553 2.584 1.00 0.00 O ATOM 260 CB GLN A 20 -12.790 3.224 2.672 1.00 0.00 C ATOM 261 CG GLN A 20 -13.998 3.678 3.480 1.00 0.00 C ATOM 262 CD GLN A 20 -13.929 3.247 4.931 1.00 0.00 C ATOM 263 OE1 GLN A 20 -14.753 2.462 5.400 1.00 0.00 O ATOM 264 NE2 GLN A 20 -12.942 3.764 5.654 1.00 0.00 N ATOM 0 H GLN A 20 -14.671 1.640 3.163 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.579 1.531 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.885 3.554 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.810 3.724 1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.074 4.764 3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.904 3.274 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.281 4.411 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.845 3.514 6.638 1.00 0.00 H new ATOM 273 N LYS A 21 -11.492 1.310 4.499 1.00 0.00 N ATOM 274 CA LYS A 21 -10.385 0.838 5.323 1.00 0.00 C ATOM 275 C LYS A 21 -10.140 -0.653 5.116 1.00 0.00 C ATOM 276 O LYS A 21 -9.062 -1.161 5.419 1.00 0.00 O ATOM 277 CB LYS A 21 -10.664 1.121 6.801 1.00 0.00 C ATOM 278 CG LYS A 21 -12.140 1.090 7.163 1.00 0.00 C ATOM 279 CD LYS A 21 -12.646 -0.334 7.326 1.00 0.00 C ATOM 280 CE LYS A 21 -12.759 -0.721 8.791 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.086 -1.315 9.108 1.00 0.00 N ATOM 0 H LYS A 21 -12.243 1.764 5.019 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.488 1.377 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.135 0.387 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.257 2.099 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.300 1.642 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.716 1.595 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.620 -0.432 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.970 -1.022 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.973 -1.435 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.598 0.160 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.122 -1.565 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.835 -0.625 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.230 -2.170 8.534 1.00 0.00 H new ATOM 295 N GLN A 22 -11.154 -1.356 4.627 1.00 0.00 N ATOM 296 CA GLN A 22 -11.041 -2.787 4.376 1.00 0.00 C ATOM 297 C GLN A 22 -10.184 -3.078 3.144 1.00 0.00 C ATOM 298 O GLN A 22 -9.013 -3.440 3.258 1.00 0.00 O ATOM 299 CB GLN A 22 -12.428 -3.409 4.202 1.00 0.00 C ATOM 300 CG GLN A 22 -12.392 -4.898 3.890 1.00 0.00 C ATOM 301 CD GLN A 22 -12.430 -5.757 5.138 1.00 0.00 C ATOM 302 OE1 GLN A 22 -11.433 -5.879 5.851 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.583 -6.357 5.409 1.00 0.00 N ATOM 0 H GLN A 22 -12.064 -0.958 4.396 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.551 -3.233 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.005 -3.251 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.952 -2.890 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.239 -5.152 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.488 -5.125 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.383 -6.227 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.669 -6.947 6.236 1.00 0.00 H new ATOM 312 N MET A 23 -10.799 -2.962 1.969 1.00 0.00 N ATOM 313 CA MET A 23 -10.135 -3.285 0.705 1.00 0.00 C ATOM 314 C MET A 23 -9.033 -2.288 0.332 1.00 0.00 C ATOM 315 O MET A 23 -7.884 -2.423 0.755 1.00 0.00 O ATOM 316 CB MET A 23 -11.167 -3.369 -0.434 1.00 0.00 C ATOM 317 CG MET A 23 -12.439 -2.559 -0.200 1.00 0.00 C ATOM 318 SD MET A 23 -12.424 -0.973 -1.059 1.00 0.00 S ATOM 319 CE MET A 23 -14.008 -0.294 -0.577 1.00 0.00 C ATOM 0 H MET A 23 -11.763 -2.645 1.865 1.00 0.00 H new ATOM 0 HA MET A 23 -9.655 -4.253 0.847 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.699 -3.027 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.440 -4.414 -0.583 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.300 -3.139 -0.532 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.564 -2.387 0.869 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.692 -0.330 -1.425 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.419 -0.878 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.879 0.740 -0.259 1.00 0.00 H new ATOM 329 N LEU A 24 -9.390 -1.331 -0.519 1.00 0.00 N ATOM 330 CA LEU A 24 -8.457 -0.350 -1.072 1.00 0.00 C ATOM 331 C LEU A 24 -7.715 0.462 -0.012 1.00 0.00 C ATOM 332 O LEU A 24 -6.932 1.350 -0.351 1.00 0.00 O ATOM 333 CB LEU A 24 -9.238 0.590 -2.009 1.00 0.00 C ATOM 334 CG LEU A 24 -9.794 1.885 -1.394 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.804 2.518 -2.336 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.434 1.639 -0.042 1.00 0.00 C ATOM 0 H LEU A 24 -10.348 -1.212 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.687 -0.900 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.584 0.862 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.072 0.030 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.955 2.565 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.192 3.434 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.320 2.751 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.626 1.823 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.814 2.579 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.257 0.933 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.692 1.228 0.642 1.00 0.00 H new ATOM 348 N GLY A 25 -7.975 0.191 1.262 1.00 0.00 N ATOM 349 CA GLY A 25 -7.384 1.008 2.298 1.00 0.00 C ATOM 350 C GLY A 25 -7.939 2.402 2.181 1.00 0.00 C ATOM 351 O GLY A 25 -9.147 2.604 2.268 1.00 0.00 O ATOM 0 H GLY A 25 -8.574 -0.567 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.607 0.593 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.299 1.022 2.196 1.00 0.00 H new ATOM 355 N GLU A 26 -7.077 3.360 1.914 1.00 0.00 N ATOM 356 CA GLU A 26 -7.548 4.678 1.545 1.00 0.00 C ATOM 357 C GLU A 26 -8.038 4.597 0.103 1.00 0.00 C ATOM 358 O GLU A 26 -9.233 4.674 -0.182 1.00 0.00 O ATOM 359 CB GLU A 26 -6.437 5.721 1.686 1.00 0.00 C ATOM 360 CG GLU A 26 -6.685 6.735 2.793 1.00 0.00 C ATOM 361 CD GLU A 26 -6.836 6.092 4.157 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.916 5.529 4.434 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.877 6.160 4.953 1.00 0.00 O ATOM 0 H GLU A 26 -6.063 3.255 1.944 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.356 4.990 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.494 5.210 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.326 6.250 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.858 7.445 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.586 7.304 2.563 1.00 0.00 H new ATOM 370 N ARG A 27 -7.074 4.394 -0.787 1.00 0.00 N ATOM 371 CA ARG A 27 -7.312 4.173 -2.210 1.00 0.00 C ATOM 372 C ARG A 27 -6.072 3.514 -2.795 1.00 0.00 C ATOM 373 O ARG A 27 -5.919 3.385 -4.005 1.00 0.00 O ATOM 374 CB ARG A 27 -7.591 5.500 -2.923 1.00 0.00 C ATOM 375 CG ARG A 27 -8.056 5.345 -4.365 1.00 0.00 C ATOM 376 CD ARG A 27 -9.231 4.388 -4.475 1.00 0.00 C ATOM 377 NE ARG A 27 -10.250 4.863 -5.407 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.213 5.719 -5.075 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.288 6.195 -3.840 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.102 6.102 -5.982 1.00 0.00 N ATOM 0 H ARG A 27 -6.086 4.378 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.184 3.533 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.350 6.048 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.685 6.106 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.341 6.319 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.231 4.980 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.872 3.412 -4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.678 4.251 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.222 4.519 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.606 5.905 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.028 6.851 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.047 5.740 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.840 6.758 -5.727 1.00 0.00 H new ATOM 394 N LEU A 28 -5.167 3.154 -1.895 1.00 0.00 N ATOM 395 CA LEU A 28 -3.853 2.644 -2.252 1.00 0.00 C ATOM 396 C LEU A 28 -3.885 1.372 -3.094 1.00 0.00 C ATOM 397 O LEU A 28 -3.543 1.404 -4.276 1.00 0.00 O ATOM 398 CB LEU A 28 -3.057 2.415 -0.971 1.00 0.00 C ATOM 399 CG LEU A 28 -2.196 3.607 -0.542 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.580 4.074 0.853 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.719 3.252 -0.600 1.00 0.00 C ATOM 0 H LEU A 28 -5.327 3.209 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.376 3.393 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.750 2.174 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.412 1.547 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.378 4.426 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.956 4.921 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.627 4.376 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.432 3.260 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.126 4.113 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.519 2.415 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.451 2.974 -1.619 1.00 0.00 H new ATOM 413 N PHE A 29 -4.227 0.250 -2.467 1.00 0.00 N ATOM 414 CA PHE A 29 -4.209 -1.053 -3.137 1.00 0.00 C ATOM 415 C PHE A 29 -4.644 -0.994 -4.609 1.00 0.00 C ATOM 416 O PHE A 29 -3.961 -1.549 -5.463 1.00 0.00 O ATOM 417 CB PHE A 29 -5.077 -2.060 -2.376 1.00 0.00 C ATOM 418 CG PHE A 29 -4.421 -3.402 -2.212 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.748 -3.993 -3.271 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.467 -4.069 -0.998 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.138 -5.221 -3.124 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.858 -5.299 -0.846 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.200 -5.878 -1.913 1.00 0.00 C ATOM 0 H PHE A 29 -4.522 0.214 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.169 -1.379 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.313 -1.656 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.022 -2.187 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.701 -3.485 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.985 -3.622 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.613 -5.667 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.896 -5.807 0.106 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.734 -6.846 -1.799 1.00 0.00 H new ATOM 433 N PRO A 30 -5.784 -0.347 -4.940 1.00 0.00 N ATOM 434 CA PRO A 30 -6.286 -0.301 -6.322 1.00 0.00 C ATOM 435 C PRO A 30 -5.332 0.390 -7.297 1.00 0.00 C ATOM 436 O PRO A 30 -5.159 -0.071 -8.427 1.00 0.00 O ATOM 437 CB PRO A 30 -7.600 0.478 -6.218 1.00 0.00 C ATOM 438 CG PRO A 30 -7.535 1.187 -4.912 1.00 0.00 C ATOM 439 CD PRO A 30 -6.699 0.325 -4.008 1.00 0.00 C ATOM 0 HA PRO A 30 -6.402 -1.308 -6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.706 1.183 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.459 -0.192 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.091 2.176 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.533 1.332 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.159 0.919 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.309 -0.390 -3.456 1.00 0.00 H new ATOM 447 N LEU A 31 -4.689 1.475 -6.864 1.00 0.00 N ATOM 448 CA LEU A 31 -3.769 2.191 -7.751 1.00 0.00 C ATOM 449 C LEU A 31 -2.510 1.367 -7.973 1.00 0.00 C ATOM 450 O LEU A 31 -2.071 1.177 -9.109 1.00 0.00 O ATOM 451 CB LEU A 31 -3.393 3.569 -7.191 1.00 0.00 C ATOM 452 CG LEU A 31 -4.257 4.066 -6.038 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.393 4.648 -4.930 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.260 5.092 -6.529 1.00 0.00 C ATOM 0 H LEU A 31 -4.783 1.871 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.281 2.343 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.356 3.536 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.444 4.297 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.806 3.217 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.030 4.997 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.715 3.881 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.814 5.484 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.868 5.436 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.730 5.939 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.904 4.640 -7.284 1.00 0.00 H new ATOM 466 N ILE A 32 -1.952 0.845 -6.891 1.00 0.00 N ATOM 467 CA ILE A 32 -0.775 0.000 -6.992 1.00 0.00 C ATOM 468 C ILE A 32 -1.155 -1.349 -7.577 1.00 0.00 C ATOM 469 O ILE A 32 -0.299 -2.097 -8.036 1.00 0.00 O ATOM 470 CB ILE A 32 -0.078 -0.204 -5.637 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.435 0.941 -4.680 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.426 -0.291 -5.846 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.269 0.872 -3.342 1.00 0.00 C ATOM 0 H ILE A 32 -2.293 0.991 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.070 0.510 -7.649 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.422 -1.136 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.190 1.889 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.512 0.937 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.919 -0.436 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.654 -1.132 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.784 0.632 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.038 1.717 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.005 -0.059 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.347 0.908 -3.496 1.00 0.00 H new ATOM 485 N GLN A 33 -2.448 -1.661 -7.544 1.00 0.00 N ATOM 486 CA GLN A 33 -2.947 -2.891 -8.146 1.00 0.00 C ATOM 487 C GLN A 33 -2.692 -2.841 -9.644 1.00 0.00 C ATOM 488 O GLN A 33 -2.430 -3.858 -10.285 1.00 0.00 O ATOM 489 CB GLN A 33 -4.435 -3.079 -7.846 1.00 0.00 C ATOM 490 CG GLN A 33 -5.156 -3.997 -8.822 1.00 0.00 C ATOM 491 CD GLN A 33 -6.288 -3.299 -9.550 1.00 0.00 C ATOM 492 OE1 GLN A 33 -7.002 -2.481 -8.971 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.456 -3.619 -10.828 1.00 0.00 N ATOM 0 H GLN A 33 -3.165 -1.081 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.422 -3.746 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.543 -3.481 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.922 -2.104 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.441 -4.380 -9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.552 -4.857 -8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.840 -4.303 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.201 -3.181 -11.370 1.00 0.00 H new ATOM 502 N ALA A 34 -2.738 -1.631 -10.187 1.00 0.00 N ATOM 503 CA ALA A 34 -2.409 -1.414 -11.588 1.00 0.00 C ATOM 504 C ALA A 34 -0.902 -1.544 -11.760 1.00 0.00 C ATOM 505 O ALA A 34 -0.409 -1.952 -12.812 1.00 0.00 O ATOM 506 CB ALA A 34 -2.894 -0.049 -12.052 1.00 0.00 C ATOM 0 H ALA A 34 -3.000 -0.787 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.911 -2.162 -12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.637 0.091 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.976 0.013 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.417 0.729 -11.455 1.00 0.00 H new ATOM 512 N MET A 35 -0.187 -1.240 -10.679 1.00 0.00 N ATOM 513 CA MET A 35 1.266 -1.364 -10.638 1.00 0.00 C ATOM 514 C MET A 35 1.650 -2.657 -9.931 1.00 0.00 C ATOM 515 O MET A 35 2.788 -2.832 -9.495 1.00 0.00 O ATOM 516 CB MET A 35 1.873 -0.164 -9.910 1.00 0.00 C ATOM 517 CG MET A 35 1.302 1.160 -10.379 1.00 0.00 C ATOM 518 SD MET A 35 2.075 2.581 -9.592 1.00 0.00 S ATOM 519 CE MET A 35 0.646 3.634 -9.373 1.00 0.00 C ATOM 0 H MET A 35 -0.599 -0.902 -9.809 1.00 0.00 H new ATOM 0 HA MET A 35 1.653 -1.387 -11.657 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.700 -0.270 -8.839 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.953 -0.162 -10.060 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.424 1.239 -11.459 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.231 1.179 -10.177 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.971 4.632 -9.078 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.092 3.695 -10.310 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.003 3.218 -8.597 1.00 0.00 H new ATOM 529 N HIS A 36 0.673 -3.556 -9.814 1.00 0.00 N ATOM 530 CA HIS A 36 0.873 -4.833 -9.151 1.00 0.00 C ATOM 531 C HIS A 36 1.904 -5.704 -9.880 1.00 0.00 C ATOM 532 O HIS A 36 2.657 -6.421 -9.220 1.00 0.00 O ATOM 533 CB HIS A 36 -0.464 -5.567 -8.991 1.00 0.00 C ATOM 534 CG HIS A 36 -0.685 -6.686 -9.963 1.00 0.00 C ATOM 535 ND1 HIS A 36 -1.344 -6.482 -11.152 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.331 -7.990 -9.871 1.00 0.00 C ATOM 537 CE1 HIS A 36 -1.369 -7.656 -11.758 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.766 -8.598 -11.019 1.00 0.00 N ATOM 0 H HIS A 36 -0.271 -3.416 -10.175 1.00 0.00 H new ATOM 0 HA HIS A 36 1.278 -4.632 -8.159 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.525 -5.966 -7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.274 -4.846 -9.098 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -1.734 -5.604 -11.496 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.193 -8.460 -9.051 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.817 -7.834 -12.724 1.00 0.00 H new ATOM 546 N PRO A 37 1.982 -5.658 -11.241 1.00 0.00 N ATOM 547 CA PRO A 37 2.981 -6.422 -11.989 1.00 0.00 C ATOM 548 C PRO A 37 4.322 -6.402 -11.271 1.00 0.00 C ATOM 549 O PRO A 37 5.086 -7.367 -11.318 1.00 0.00 O ATOM 550 CB PRO A 37 3.075 -5.699 -13.343 1.00 0.00 C ATOM 551 CG PRO A 37 2.128 -4.541 -13.263 1.00 0.00 C ATOM 552 CD PRO A 37 1.164 -4.849 -12.153 1.00 0.00 C ATOM 0 HA PRO A 37 2.709 -7.472 -12.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.093 -5.358 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.805 -6.367 -14.161 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.666 -3.614 -13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.601 -4.406 -14.207 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.795 -3.943 -11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.293 -5.397 -12.512 1.00 0.00 H new ATOM 560 N THR A 38 4.565 -5.311 -10.550 1.00 0.00 N ATOM 561 CA THR A 38 5.751 -5.187 -9.727 1.00 0.00 C ATOM 562 C THR A 38 5.552 -5.978 -8.437 1.00 0.00 C ATOM 563 O THR A 38 5.945 -7.142 -8.355 1.00 0.00 O ATOM 564 CB THR A 38 6.037 -3.719 -9.412 1.00 0.00 C ATOM 565 OG1 THR A 38 5.442 -2.874 -10.381 1.00 0.00 O ATOM 566 CG2 THR A 38 7.512 -3.396 -9.362 1.00 0.00 C ATOM 0 H THR A 38 3.949 -4.499 -10.523 1.00 0.00 H new ATOM 0 HA THR A 38 6.607 -5.588 -10.270 1.00 0.00 H new ATOM 0 HB THR A 38 5.611 -3.546 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.511 -2.696 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.645 -2.338 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.990 -3.997 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.966 -3.619 -10.327 1.00 0.00 H new ATOM 574 N LEU A 39 4.906 -5.361 -7.443 1.00 0.00 N ATOM 575 CA LEU A 39 4.623 -6.055 -6.191 1.00 0.00 C ATOM 576 C LEU A 39 3.714 -5.255 -5.252 1.00 0.00 C ATOM 577 O LEU A 39 4.106 -4.947 -4.126 1.00 0.00 O ATOM 578 CB LEU A 39 5.931 -6.401 -5.472 1.00 0.00 C ATOM 579 CG LEU A 39 5.863 -7.625 -4.553 1.00 0.00 C ATOM 580 CD1 LEU A 39 5.443 -8.862 -5.334 1.00 0.00 C ATOM 581 CD2 LEU A 39 7.204 -7.855 -3.873 1.00 0.00 C ATOM 0 H LEU A 39 4.575 -4.397 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 39 4.087 -6.966 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.705 -6.570 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.242 -5.539 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 39 5.113 -7.435 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.401 -9.719 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.460 -8.698 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.167 -9.056 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.138 -8.728 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.971 -8.022 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.465 -6.980 -3.278 1.00 0.00 H new ATOM 593 N ALA A 40 2.472 -4.988 -5.669 1.00 0.00 N ATOM 594 CA ALA A 40 1.514 -4.311 -4.796 1.00 0.00 C ATOM 595 C ALA A 40 1.266 -5.162 -3.549 1.00 0.00 C ATOM 596 O ALA A 40 1.898 -6.203 -3.367 1.00 0.00 O ATOM 597 CB ALA A 40 0.201 -4.031 -5.527 1.00 0.00 C ATOM 0 H ALA A 40 2.112 -5.227 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 40 1.934 -3.351 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.491 -3.527 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.394 -3.394 -6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.238 -4.972 -5.860 1.00 0.00 H new ATOM 603 N GLY A 41 0.355 -4.722 -2.692 1.00 0.00 N ATOM 604 CA GLY A 41 0.057 -5.477 -1.488 1.00 0.00 C ATOM 605 C GLY A 41 0.666 -4.871 -0.240 1.00 0.00 C ATOM 606 O GLY A 41 -0.051 -4.388 0.634 1.00 0.00 O ATOM 0 H GLY A 41 -0.181 -3.862 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.024 -5.539 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.424 -6.497 -1.606 1.00 0.00 H new ATOM 610 N LYS A 42 1.987 -4.930 -0.137 1.00 0.00 N ATOM 611 CA LYS A 42 2.679 -4.385 1.025 1.00 0.00 C ATOM 612 C LYS A 42 2.768 -2.866 0.946 1.00 0.00 C ATOM 613 O LYS A 42 2.700 -2.176 1.964 1.00 0.00 O ATOM 614 CB LYS A 42 4.086 -4.985 1.156 1.00 0.00 C ATOM 615 CG LYS A 42 4.879 -4.444 2.340 1.00 0.00 C ATOM 616 CD LYS A 42 4.025 -4.337 3.594 1.00 0.00 C ATOM 617 CE LYS A 42 4.368 -3.091 4.394 1.00 0.00 C ATOM 618 NZ LYS A 42 5.759 -3.135 4.922 1.00 0.00 N ATOM 0 H LYS A 42 2.598 -5.347 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 42 2.100 -4.654 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.001 -6.067 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.641 -4.789 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.730 -5.096 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.281 -3.462 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.971 -4.315 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.173 -5.221 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.247 -2.210 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.668 -2.988 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.942 -2.283 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.878 -3.980 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.430 -3.173 4.129 1.00 0.00 H new ATOM 632 N ILE A 43 2.923 -2.351 -0.266 1.00 0.00 N ATOM 633 CA ILE A 43 3.035 -0.913 -0.478 1.00 0.00 C ATOM 634 C ILE A 43 1.856 -0.171 0.149 1.00 0.00 C ATOM 635 O ILE A 43 2.047 0.742 0.952 1.00 0.00 O ATOM 636 CB ILE A 43 3.127 -0.568 -1.974 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.113 -1.514 -2.670 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.551 0.880 -2.161 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.113 -1.399 -4.177 1.00 0.00 C ATOM 0 H ILE A 43 2.974 -2.908 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 43 3.956 -0.590 0.008 1.00 0.00 H new ATOM 0 HB ILE A 43 2.143 -0.695 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.118 -1.311 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.873 -2.541 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.611 1.107 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.819 1.537 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.527 1.036 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.836 -2.099 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.119 -1.631 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.384 -0.383 -4.464 1.00 0.00 H new ATOM 651 N THR A 44 0.637 -0.587 -0.196 1.00 0.00 N ATOM 652 CA THR A 44 -0.560 0.021 0.369 1.00 0.00 C ATOM 653 C THR A 44 -0.506 -0.020 1.891 1.00 0.00 C ATOM 654 O THR A 44 -0.796 0.970 2.560 1.00 0.00 O ATOM 655 CB THR A 44 -1.815 -0.706 -0.123 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.985 -0.078 0.366 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.875 -2.154 0.302 1.00 0.00 C ATOM 0 H THR A 44 0.457 -1.339 -0.861 1.00 0.00 H new ATOM 0 HA THR A 44 -0.603 1.060 0.041 1.00 0.00 H new ATOM 0 HB THR A 44 -1.761 -0.660 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.763 -0.642 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.789 -2.608 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.011 -2.686 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.868 -2.214 1.390 1.00 0.00 H new ATOM 665 N GLY A 45 -0.093 -1.168 2.420 1.00 0.00 N ATOM 666 CA GLY A 45 -0.019 -1.354 3.855 1.00 0.00 C ATOM 667 C GLY A 45 0.677 -0.218 4.575 1.00 0.00 C ATOM 668 O GLY A 45 0.077 0.442 5.418 1.00 0.00 O ATOM 0 H GLY A 45 0.194 -1.979 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.028 -1.461 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.508 -2.285 4.066 1.00 0.00 H new ATOM 672 N MET A 46 1.945 0.007 4.251 1.00 0.00 N ATOM 673 CA MET A 46 2.729 1.045 4.916 1.00 0.00 C ATOM 674 C MET A 46 2.143 2.440 4.697 1.00 0.00 C ATOM 675 O MET A 46 1.964 3.197 5.652 1.00 0.00 O ATOM 676 CB MET A 46 4.185 1.008 4.453 1.00 0.00 C ATOM 677 CG MET A 46 4.389 0.371 3.093 1.00 0.00 C ATOM 678 SD MET A 46 5.794 1.070 2.221 1.00 0.00 S ATOM 679 CE MET A 46 5.014 1.543 0.683 1.00 0.00 C ATOM 0 H MET A 46 2.452 -0.513 3.535 1.00 0.00 H new ATOM 0 HA MET A 46 2.690 0.834 5.985 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.572 2.027 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.775 0.462 5.189 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.536 -0.702 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.489 0.503 2.493 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.456 2.471 0.321 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.164 0.757 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.946 1.689 0.846 1.00 0.00 H new ATOM 689 N LEU A 47 1.860 2.785 3.445 1.00 0.00 N ATOM 690 CA LEU A 47 1.316 4.104 3.124 1.00 0.00 C ATOM 691 C LEU A 47 -0.176 4.181 3.425 1.00 0.00 C ATOM 692 O LEU A 47 -0.843 5.141 3.043 1.00 0.00 O ATOM 693 CB LEU A 47 1.559 4.439 1.648 1.00 0.00 C ATOM 694 CG LEU A 47 2.887 5.130 1.336 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.873 6.557 1.855 1.00 0.00 C ATOM 696 CD2 LEU A 47 4.051 4.351 1.927 1.00 0.00 C ATOM 0 H LEU A 47 1.997 2.175 2.639 1.00 0.00 H new ATOM 0 HA LEU A 47 1.831 4.831 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.506 3.516 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.747 5.078 1.301 1.00 0.00 H new ATOM 0 HG LEU A 47 3.017 5.158 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.825 7.037 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.064 7.110 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.721 6.550 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.986 4.860 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.934 4.286 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.069 3.347 1.504 1.00 0.00 H new ATOM 708 N LEU A 48 -0.695 3.174 4.120 1.00 0.00 N ATOM 709 CA LEU A 48 -2.114 3.136 4.449 1.00 0.00 C ATOM 710 C LEU A 48 -2.502 4.294 5.360 1.00 0.00 C ATOM 711 O LEU A 48 -3.630 4.784 5.305 1.00 0.00 O ATOM 712 CB LEU A 48 -2.482 1.802 5.101 1.00 0.00 C ATOM 713 CG LEU A 48 -3.784 1.175 4.604 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.859 2.233 4.410 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.541 0.423 3.309 1.00 0.00 C ATOM 0 H LEU A 48 -0.158 2.378 4.464 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.672 3.236 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.669 1.096 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.556 1.950 6.178 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.136 0.472 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.775 1.760 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.052 2.734 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.521 2.965 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.476 -0.020 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.165 1.112 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.807 -0.365 3.478 1.00 0.00 H new ATOM 727 N GLU A 49 -1.560 4.756 6.176 1.00 0.00 N ATOM 728 CA GLU A 49 -1.822 5.873 7.073 1.00 0.00 C ATOM 729 C GLU A 49 -1.796 7.199 6.315 1.00 0.00 C ATOM 730 O GLU A 49 -1.499 8.247 6.889 1.00 0.00 O ATOM 731 CB GLU A 49 -0.808 5.897 8.217 1.00 0.00 C ATOM 732 CG GLU A 49 0.570 5.397 7.826 1.00 0.00 C ATOM 733 CD GLU A 49 1.674 6.074 8.611 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.738 5.870 9.841 1.00 0.00 O ATOM 735 OE2 GLU A 49 2.474 6.808 7.997 1.00 0.00 O ATOM 0 H GLU A 49 -0.615 4.377 6.234 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.818 5.738 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.721 6.917 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.186 5.287 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.622 4.320 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.727 5.569 6.761 1.00 0.00 H new ATOM 742 N ILE A 50 -2.146 7.149 5.031 1.00 0.00 N ATOM 743 CA ILE A 50 -2.183 8.344 4.199 1.00 0.00 C ATOM 744 C ILE A 50 -3.502 9.090 4.398 1.00 0.00 C ATOM 745 O ILE A 50 -4.421 8.580 5.039 1.00 0.00 O ATOM 746 CB ILE A 50 -1.992 7.994 2.701 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.109 9.043 2.018 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.333 7.870 1.983 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.817 8.735 0.563 1.00 0.00 C ATOM 0 H ILE A 50 -2.408 6.291 4.546 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.359 8.988 4.505 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.495 7.026 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.597 10.015 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.167 9.122 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.163 7.624 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.924 7.082 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.871 8.816 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.187 9.520 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.301 7.778 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.753 8.686 0.007 1.00 0.00 H new ATOM 761 N ASP A 51 -3.582 10.302 3.862 1.00 0.00 N ATOM 762 CA ASP A 51 -4.779 11.122 4.001 1.00 0.00 C ATOM 763 C ASP A 51 -5.957 10.525 3.242 1.00 0.00 C ATOM 764 O ASP A 51 -5.813 10.085 2.101 1.00 0.00 O ATOM 765 CB ASP A 51 -4.509 12.532 3.482 1.00 0.00 C ATOM 766 CG ASP A 51 -3.792 13.398 4.498 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.275 13.489 5.647 1.00 0.00 O ATOM 768 OD2 ASP A 51 -2.748 13.986 4.146 1.00 0.00 O ATOM 0 H ASP A 51 -2.832 10.739 3.327 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.034 11.157 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.910 12.472 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.454 13.003 3.211 1.00 0.00 H new ATOM 773 N ASN A 52 -7.131 10.546 3.868 1.00 0.00 N ATOM 774 CA ASN A 52 -8.342 10.060 3.222 1.00 0.00 C ATOM 775 C ASN A 52 -8.837 11.094 2.217 1.00 0.00 C ATOM 776 O ASN A 52 -9.473 10.758 1.218 1.00 0.00 O ATOM 777 CB ASN A 52 -9.431 9.762 4.256 1.00 0.00 C ATOM 778 CG ASN A 52 -9.354 8.344 4.792 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.009 7.410 4.107 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.715 8.090 5.814 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.267 10.893 4.817 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.110 9.132 2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.343 10.465 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.410 9.923 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.227 8.836 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.674 7.133 6.165 1.00 0.00 H new ATOM 787 N SER A 53 -8.521 12.357 2.481 1.00 0.00 N ATOM 788 CA SER A 53 -8.885 13.436 1.573 1.00 0.00 C ATOM 789 C SER A 53 -7.987 13.395 0.343 1.00 0.00 C ATOM 790 O SER A 53 -8.405 13.746 -0.762 1.00 0.00 O ATOM 791 CB SER A 53 -8.760 14.791 2.271 1.00 0.00 C ATOM 792 OG SER A 53 -9.782 14.963 3.238 1.00 0.00 O ATOM 0 H SER A 53 -8.015 12.657 3.314 1.00 0.00 H new ATOM 0 HA SER A 53 -9.922 13.303 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.784 14.868 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.816 15.591 1.532 1.00 0.00 H new ATOM 0 HG SER A 53 -9.679 15.836 3.671 1.00 0.00 H new ATOM 798 N GLU A 54 -6.755 12.940 0.546 1.00 0.00 N ATOM 799 CA GLU A 54 -5.791 12.821 -0.537 1.00 0.00 C ATOM 800 C GLU A 54 -6.082 11.590 -1.382 1.00 0.00 C ATOM 801 O GLU A 54 -5.810 11.572 -2.581 1.00 0.00 O ATOM 802 CB GLU A 54 -4.370 12.739 0.023 1.00 0.00 C ATOM 803 CG GLU A 54 -3.772 14.094 0.357 1.00 0.00 C ATOM 804 CD GLU A 54 -2.737 14.541 -0.657 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.817 13.752 -0.954 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.849 15.682 -1.154 1.00 0.00 O ATOM 0 H GLU A 54 -6.401 12.647 1.457 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.876 13.707 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.377 12.122 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.730 12.237 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.569 14.836 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.313 14.051 1.345 1.00 0.00 H new ATOM 813 N LEU A 55 -6.648 10.565 -0.750 1.00 0.00 N ATOM 814 CA LEU A 55 -6.976 9.329 -1.446 1.00 0.00 C ATOM 815 C LEU A 55 -7.935 9.609 -2.596 1.00 0.00 C ATOM 816 O LEU A 55 -7.719 9.162 -3.723 1.00 0.00 O ATOM 817 CB LEU A 55 -7.568 8.303 -0.465 1.00 0.00 C ATOM 818 CG LEU A 55 -9.095 8.320 -0.288 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.784 7.522 -1.383 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.476 7.769 1.076 1.00 0.00 C ATOM 0 H LEU A 55 -6.888 10.568 0.241 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.063 8.906 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.275 7.307 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.110 8.462 0.511 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.428 9.355 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.863 7.552 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.542 7.953 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.442 6.488 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.560 7.788 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.120 6.743 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.022 8.381 1.855 1.00 0.00 H new ATOM 832 N LEU A 56 -8.969 10.390 -2.312 1.00 0.00 N ATOM 833 CA LEU A 56 -9.948 10.757 -3.327 1.00 0.00 C ATOM 834 C LEU A 56 -9.279 11.541 -4.453 1.00 0.00 C ATOM 835 O LEU A 56 -9.529 11.291 -5.631 1.00 0.00 O ATOM 836 CB LEU A 56 -11.077 11.585 -2.705 1.00 0.00 C ATOM 837 CG LEU A 56 -12.021 12.257 -3.707 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.829 11.213 -4.463 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.943 13.235 -2.997 1.00 0.00 C ATOM 0 H LEU A 56 -9.152 10.781 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.373 9.843 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.665 10.938 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.635 12.356 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.420 12.812 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.494 11.709 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.153 10.551 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.420 10.629 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.606 13.703 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.537 12.702 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.348 14.003 -2.502 1.00 0.00 H new ATOM 851 N HIS A 57 -8.412 12.479 -4.079 1.00 0.00 N ATOM 852 CA HIS A 57 -7.702 13.295 -5.056 1.00 0.00 C ATOM 853 C HIS A 57 -6.727 12.449 -5.869 1.00 0.00 C ATOM 854 O HIS A 57 -6.301 12.846 -6.953 1.00 0.00 O ATOM 855 CB HIS A 57 -6.952 14.427 -4.355 1.00 0.00 C ATOM 856 CG HIS A 57 -7.838 15.552 -3.918 1.00 0.00 C ATOM 857 ND1 HIS A 57 -8.064 15.811 -2.587 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.529 16.446 -4.668 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.880 16.850 -2.554 1.00 0.00 C ATOM 860 NE2 HIS A 57 -9.188 17.267 -3.790 1.00 0.00 N ATOM 0 H HIS A 57 -8.186 12.691 -3.107 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.437 13.722 -5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.434 14.024 -3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.188 14.817 -5.028 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -7.681 15.305 -1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.555 16.500 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.251 17.305 -1.647 1.00 0.00 H new ATOM 868 N MET A 58 -6.378 11.281 -5.338 1.00 0.00 N ATOM 869 CA MET A 58 -5.453 10.381 -6.016 1.00 0.00 C ATOM 870 C MET A 58 -6.115 9.726 -7.225 1.00 0.00 C ATOM 871 O MET A 58 -5.547 9.700 -8.317 1.00 0.00 O ATOM 872 CB MET A 58 -4.948 9.308 -5.045 1.00 0.00 C ATOM 873 CG MET A 58 -3.916 9.821 -4.056 1.00 0.00 C ATOM 874 SD MET A 58 -2.249 9.847 -4.737 1.00 0.00 S ATOM 875 CE MET A 58 -1.936 11.609 -4.787 1.00 0.00 C ATOM 0 H MET A 58 -6.722 10.937 -4.442 1.00 0.00 H new ATOM 0 HA MET A 58 -4.605 10.969 -6.368 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.796 8.900 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.515 8.487 -5.617 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.191 10.828 -3.741 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.930 9.193 -3.165 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.993 11.797 -5.300 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.745 12.107 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.879 11.997 -3.770 1.00 0.00 H new ATOM 885 N LEU A 59 -7.323 9.210 -7.028 1.00 0.00 N ATOM 886 CA LEU A 59 -8.061 8.553 -8.102 1.00 0.00 C ATOM 887 C LEU A 59 -8.448 9.545 -9.193 1.00 0.00 C ATOM 888 O LEU A 59 -8.707 9.153 -10.332 1.00 0.00 O ATOM 889 CB LEU A 59 -9.317 7.874 -7.542 1.00 0.00 C ATOM 890 CG LEU A 59 -9.594 6.459 -8.068 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.810 6.474 -9.573 1.00 0.00 C ATOM 892 CD2 LEU A 59 -8.459 5.516 -7.699 1.00 0.00 C ATOM 0 H LEU A 59 -7.813 9.234 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.411 7.798 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.231 7.829 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.179 8.502 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.508 6.096 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.005 5.460 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.662 7.110 -9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.918 6.863 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.676 4.519 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.528 5.878 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.358 5.475 -6.614 1.00 0.00 H new ATOM 904 N GLU A 60 -8.471 10.827 -8.851 1.00 0.00 N ATOM 905 CA GLU A 60 -8.842 11.856 -9.814 1.00 0.00 C ATOM 906 C GLU A 60 -7.614 12.492 -10.456 1.00 0.00 C ATOM 907 O GLU A 60 -7.732 13.280 -11.394 1.00 0.00 O ATOM 908 CB GLU A 60 -9.692 12.934 -9.140 1.00 0.00 C ATOM 909 CG GLU A 60 -10.739 12.374 -8.193 1.00 0.00 C ATOM 910 CD GLU A 60 -12.134 12.403 -8.783 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.663 13.513 -9.003 1.00 0.00 O ATOM 912 OE2 GLU A 60 -12.699 11.317 -9.027 1.00 0.00 O ATOM 0 H GLU A 60 -8.239 11.177 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.424 11.375 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.038 13.609 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.188 13.528 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.479 11.347 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.729 12.947 -7.266 1.00 0.00 H new ATOM 919 N SER A 61 -6.434 12.146 -9.951 1.00 0.00 N ATOM 920 CA SER A 61 -5.190 12.689 -10.481 1.00 0.00 C ATOM 921 C SER A 61 -4.259 11.570 -10.938 1.00 0.00 C ATOM 922 O SER A 61 -3.428 11.098 -10.168 1.00 0.00 O ATOM 923 CB SER A 61 -4.491 13.543 -9.421 1.00 0.00 C ATOM 924 OG SER A 61 -3.805 14.633 -10.014 1.00 0.00 O ATOM 0 H SER A 61 -6.314 11.493 -9.177 1.00 0.00 H new ATOM 0 HA SER A 61 -5.433 13.312 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.226 13.917 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.787 12.928 -8.860 1.00 0.00 H new ATOM 0 HG SER A 61 -3.645 15.325 -9.339 1.00 0.00 H new ATOM 930 N PRO A 62 -4.379 11.129 -12.202 1.00 0.00 N ATOM 931 CA PRO A 62 -3.528 10.065 -12.745 1.00 0.00 C ATOM 932 C PRO A 62 -2.057 10.463 -12.765 1.00 0.00 C ATOM 933 O PRO A 62 -1.173 9.618 -12.621 1.00 0.00 O ATOM 934 CB PRO A 62 -4.051 9.871 -14.173 1.00 0.00 C ATOM 935 CG PRO A 62 -4.766 11.137 -14.498 1.00 0.00 C ATOM 936 CD PRO A 62 -5.338 11.634 -13.201 1.00 0.00 C ATOM 0 HA PRO A 62 -3.574 9.159 -12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.234 9.689 -14.871 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.720 9.013 -14.235 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.085 11.870 -14.930 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.554 10.963 -15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.407 12.722 -13.181 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.342 11.247 -13.028 1.00 0.00 H new ATOM 944 N GLU A 63 -1.801 11.753 -12.957 1.00 0.00 N ATOM 945 CA GLU A 63 -0.437 12.268 -13.003 1.00 0.00 C ATOM 946 C GLU A 63 0.156 12.405 -11.605 1.00 0.00 C ATOM 947 O GLU A 63 1.283 11.977 -11.353 1.00 0.00 O ATOM 948 CB GLU A 63 -0.408 13.624 -13.711 1.00 0.00 C ATOM 949 CG GLU A 63 -1.053 13.607 -15.087 1.00 0.00 C ATOM 950 CD GLU A 63 -0.348 14.518 -16.072 1.00 0.00 C ATOM 951 OE1 GLU A 63 -0.188 15.718 -15.762 1.00 0.00 O ATOM 952 OE2 GLU A 63 0.045 14.032 -17.153 1.00 0.00 O ATOM 0 H GLU A 63 -2.523 12.463 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 63 0.168 11.553 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.918 14.360 -13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.627 13.951 -13.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.049 12.588 -15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.096 13.911 -14.999 1.00 0.00 H new ATOM 959 N SER A 64 -0.599 13.027 -10.704 1.00 0.00 N ATOM 960 CA SER A 64 -0.132 13.253 -9.341 1.00 0.00 C ATOM 961 C SER A 64 -0.043 11.947 -8.560 1.00 0.00 C ATOM 962 O SER A 64 0.967 11.666 -7.915 1.00 0.00 O ATOM 963 CB SER A 64 -1.068 14.227 -8.620 1.00 0.00 C ATOM 964 OG SER A 64 -0.876 15.554 -9.080 1.00 0.00 O ATOM 0 H SER A 64 -1.536 13.383 -10.893 1.00 0.00 H new ATOM 0 HA SER A 64 0.868 13.683 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.104 13.929 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.888 14.181 -7.546 1.00 0.00 H new ATOM 0 HG SER A 64 -1.486 16.156 -8.606 1.00 0.00 H new ATOM 970 N LEU A 65 -1.109 11.157 -8.618 1.00 0.00 N ATOM 971 CA LEU A 65 -1.167 9.894 -7.895 1.00 0.00 C ATOM 972 C LEU A 65 -0.055 8.942 -8.324 1.00 0.00 C ATOM 973 O LEU A 65 0.789 8.563 -7.513 1.00 0.00 O ATOM 974 CB LEU A 65 -2.531 9.227 -8.102 1.00 0.00 C ATOM 975 CG LEU A 65 -2.505 7.699 -8.186 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.152 7.099 -6.835 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.836 7.169 -8.685 1.00 0.00 C ATOM 0 H LEU A 65 -1.946 11.370 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.026 10.117 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.188 9.518 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.973 9.618 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.736 7.404 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.138 6.012 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.169 7.454 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.896 7.401 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.798 6.081 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.628 7.471 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.040 7.573 -9.676 1.00 0.00 H new ATOM 989 N ARG A 66 -0.095 8.510 -9.583 1.00 0.00 N ATOM 990 CA ARG A 66 0.879 7.551 -10.089 1.00 0.00 C ATOM 991 C ARG A 66 2.299 7.991 -9.765 1.00 0.00 C ATOM 992 O ARG A 66 3.183 7.160 -9.579 1.00 0.00 O ATOM 993 CB ARG A 66 0.717 7.354 -11.594 1.00 0.00 C ATOM 994 CG ARG A 66 0.994 5.928 -12.044 1.00 0.00 C ATOM 995 CD ARG A 66 2.237 5.850 -12.916 1.00 0.00 C ATOM 996 NE ARG A 66 2.424 4.517 -13.484 1.00 0.00 N ATOM 997 CZ ARG A 66 3.307 4.239 -14.438 1.00 0.00 C ATOM 998 NH1 ARG A 66 4.082 5.196 -14.930 1.00 0.00 N ATOM 999 NH2 ARG A 66 3.416 3.002 -14.902 1.00 0.00 N ATOM 0 H ARG A 66 -0.790 8.809 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 66 0.694 6.598 -9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.297 7.629 -11.883 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.392 8.031 -12.117 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.120 5.288 -11.171 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.136 5.547 -12.597 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.161 6.580 -13.722 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.112 6.118 -12.324 1.00 0.00 H new ATOM 0 HE ARG A 66 1.844 3.757 -13.128 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.002 6.149 -14.576 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.758 4.979 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.822 2.262 -14.527 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.094 2.790 -15.634 1.00 0.00 H new ATOM 1013 N SER A 67 2.503 9.299 -9.674 1.00 0.00 N ATOM 1014 CA SER A 67 3.812 9.839 -9.329 1.00 0.00 C ATOM 1015 C SER A 67 4.205 9.409 -7.920 1.00 0.00 C ATOM 1016 O SER A 67 5.334 8.978 -7.678 1.00 0.00 O ATOM 1017 CB SER A 67 3.800 11.365 -9.428 1.00 0.00 C ATOM 1018 OG SER A 67 5.065 11.859 -9.831 1.00 0.00 O ATOM 0 H SER A 67 1.782 10.003 -9.833 1.00 0.00 H new ATOM 0 HA SER A 67 4.546 9.448 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.039 11.680 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.529 11.793 -8.463 1.00 0.00 H new ATOM 0 HG SER A 67 5.031 12.837 -9.889 1.00 0.00 H new ATOM 1024 N LYS A 68 3.248 9.497 -6.999 1.00 0.00 N ATOM 1025 CA LYS A 68 3.475 9.107 -5.613 1.00 0.00 C ATOM 1026 C LYS A 68 3.722 7.610 -5.503 1.00 0.00 C ATOM 1027 O LYS A 68 4.777 7.176 -5.040 1.00 0.00 O ATOM 1028 CB LYS A 68 2.271 9.481 -4.746 1.00 0.00 C ATOM 1029 CG LYS A 68 2.443 10.794 -3.999 1.00 0.00 C ATOM 1030 CD LYS A 68 1.129 11.292 -3.407 1.00 0.00 C ATOM 1031 CE LYS A 68 0.411 10.208 -2.617 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.684 10.769 -1.778 1.00 0.00 N ATOM 0 H LYS A 68 2.305 9.836 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 68 4.357 9.641 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.385 9.545 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.091 8.683 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.174 10.664 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.843 11.547 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.325 12.145 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.481 11.645 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.000 9.469 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.127 9.688 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.517 10.149 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.366 10.832 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.934 11.718 -2.123 1.00 0.00 H new ATOM 1046 N VAL A 69 2.733 6.825 -5.918 1.00 0.00 N ATOM 1047 CA VAL A 69 2.833 5.377 -5.836 1.00 0.00 C ATOM 1048 C VAL A 69 4.001 4.856 -6.671 1.00 0.00 C ATOM 1049 O VAL A 69 4.532 3.779 -6.400 1.00 0.00 O ATOM 1050 CB VAL A 69 1.525 4.688 -6.262 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.695 3.178 -6.308 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.403 5.068 -5.309 1.00 0.00 C ATOM 0 H VAL A 69 1.857 7.168 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 69 3.016 5.131 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 69 1.268 5.027 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.756 2.715 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.475 2.921 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.976 2.813 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.519 4.576 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.662 4.752 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.261 6.149 -5.327 1.00 0.00 H new ATOM 1062 N ASP A 70 4.421 5.631 -7.666 1.00 0.00 N ATOM 1063 CA ASP A 70 5.576 5.251 -8.470 1.00 0.00 C ATOM 1064 C ASP A 70 6.764 5.023 -7.550 1.00 0.00 C ATOM 1065 O ASP A 70 7.413 3.975 -7.591 1.00 0.00 O ATOM 1066 CB ASP A 70 5.909 6.334 -9.497 1.00 0.00 C ATOM 1067 CG ASP A 70 7.177 6.029 -10.269 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.129 5.169 -11.174 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.219 6.650 -9.970 1.00 0.00 O ATOM 0 H ASP A 70 3.986 6.514 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 70 5.344 4.335 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.078 6.437 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.018 7.292 -8.988 1.00 0.00 H new ATOM 1074 N GLU A 71 7.004 5.994 -6.677 1.00 0.00 N ATOM 1075 CA GLU A 71 8.061 5.878 -5.687 1.00 0.00 C ATOM 1076 C GLU A 71 7.691 4.813 -4.664 1.00 0.00 C ATOM 1077 O GLU A 71 8.560 4.169 -4.079 1.00 0.00 O ATOM 1078 CB GLU A 71 8.298 7.218 -4.992 1.00 0.00 C ATOM 1079 CG GLU A 71 9.660 7.319 -4.329 1.00 0.00 C ATOM 1080 CD GLU A 71 10.653 8.116 -5.150 1.00 0.00 C ATOM 1081 OE1 GLU A 71 11.111 7.600 -6.192 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.976 9.255 -4.752 1.00 0.00 O ATOM 0 H GLU A 71 6.480 6.868 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 71 8.983 5.587 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.197 8.021 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.524 7.371 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.549 7.784 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.054 6.316 -4.163 1.00 0.00 H new ATOM 1089 N ALA A 72 6.387 4.625 -4.467 1.00 0.00 N ATOM 1090 CA ALA A 72 5.888 3.608 -3.550 1.00 0.00 C ATOM 1091 C ALA A 72 6.363 2.231 -3.989 1.00 0.00 C ATOM 1092 O ALA A 72 6.717 1.390 -3.162 1.00 0.00 O ATOM 1093 CB ALA A 72 4.373 3.659 -3.470 1.00 0.00 C ATOM 0 H ALA A 72 5.658 5.166 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 72 6.283 3.808 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.019 2.892 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.060 4.640 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.950 3.481 -4.459 1.00 0.00 H new ATOM 1099 N VAL A 73 6.398 2.019 -5.301 1.00 0.00 N ATOM 1100 CA VAL A 73 6.894 0.769 -5.853 1.00 0.00 C ATOM 1101 C VAL A 73 8.388 0.644 -5.562 1.00 0.00 C ATOM 1102 O VAL A 73 8.911 -0.457 -5.383 1.00 0.00 O ATOM 1103 CB VAL A 73 6.649 0.678 -7.378 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.486 -0.431 -7.994 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.167 0.469 -7.679 1.00 0.00 C ATOM 0 H VAL A 73 6.089 2.697 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 73 6.350 -0.049 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 73 6.955 1.623 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.297 -0.476 -9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.543 -0.229 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.219 -1.384 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.020 0.408 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.828 -0.457 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.593 1.306 -7.281 1.00 0.00 H new ATOM 1115 N ALA A 74 9.055 1.793 -5.474 1.00 0.00 N ATOM 1116 CA ALA A 74 10.486 1.835 -5.189 1.00 0.00 C ATOM 1117 C ALA A 74 10.775 1.443 -3.741 1.00 0.00 C ATOM 1118 O ALA A 74 11.747 0.740 -3.466 1.00 0.00 O ATOM 1119 CB ALA A 74 11.043 3.220 -5.483 1.00 0.00 C ATOM 0 H ALA A 74 8.625 2.710 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 74 10.979 1.111 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.111 3.236 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.883 3.461 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.535 3.956 -4.860 1.00 0.00 H new ATOM 1125 N VAL A 75 9.934 1.912 -2.819 1.00 0.00 N ATOM 1126 CA VAL A 75 10.101 1.593 -1.401 1.00 0.00 C ATOM 1127 C VAL A 75 10.161 0.081 -1.204 1.00 0.00 C ATOM 1128 O VAL A 75 10.929 -0.421 -0.382 1.00 0.00 O ATOM 1129 CB VAL A 75 8.952 2.177 -0.533 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.408 3.458 -1.145 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.840 1.161 -0.349 1.00 0.00 C ATOM 0 H VAL A 75 9.135 2.511 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 75 11.037 2.049 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 75 9.362 2.414 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.605 3.848 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.207 4.197 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.022 3.249 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.048 1.595 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.436 0.883 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.236 0.274 0.146 1.00 0.00 H new ATOM 1141 N LEU A 76 9.330 -0.635 -1.958 1.00 0.00 N ATOM 1142 CA LEU A 76 9.259 -2.084 -1.858 1.00 0.00 C ATOM 1143 C LEU A 76 10.576 -2.719 -2.282 1.00 0.00 C ATOM 1144 O LEU A 76 11.089 -3.614 -1.610 1.00 0.00 O ATOM 1145 CB LEU A 76 8.121 -2.621 -2.724 1.00 0.00 C ATOM 1146 CG LEU A 76 8.071 -4.144 -2.849 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.673 -4.657 -2.549 1.00 0.00 C ATOM 1148 CD2 LEU A 76 8.520 -4.578 -4.236 1.00 0.00 C ATOM 0 H LEU A 76 8.696 -0.230 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 76 9.067 -2.343 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.174 -2.274 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.210 -2.192 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 76 8.755 -4.575 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.656 -5.743 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.392 -4.376 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.966 -4.221 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.479 -5.665 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.862 -4.139 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.542 -4.242 -4.409 1.00 0.00 H new ATOM 1160 N GLN A 77 11.109 -2.257 -3.409 1.00 0.00 N ATOM 1161 CA GLN A 77 12.372 -2.768 -3.922 1.00 0.00 C ATOM 1162 C GLN A 77 13.453 -2.674 -2.852 1.00 0.00 C ATOM 1163 O GLN A 77 14.309 -3.553 -2.738 1.00 0.00 O ATOM 1164 CB GLN A 77 12.789 -1.989 -5.171 1.00 0.00 C ATOM 1165 CG GLN A 77 12.152 -2.507 -6.450 1.00 0.00 C ATOM 1166 CD GLN A 77 12.810 -3.773 -6.961 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.500 -4.874 -6.507 1.00 0.00 O ATOM 1168 NE2 GLN A 77 13.722 -3.622 -7.915 1.00 0.00 N ATOM 0 H GLN A 77 10.684 -1.529 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 77 12.242 -3.816 -4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.523 -0.940 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.874 -2.032 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.094 -2.699 -6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.211 -1.736 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.948 -2.690 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.196 -4.438 -8.301 1.00 0.00 H new ATOM 1177 N ALA A 78 13.391 -1.612 -2.054 1.00 0.00 N ATOM 1178 CA ALA A 78 14.333 -1.417 -0.959 1.00 0.00 C ATOM 1179 C ALA A 78 13.913 -2.235 0.258 1.00 0.00 C ATOM 1180 O ALA A 78 14.745 -2.621 1.079 1.00 0.00 O ATOM 1181 CB ALA A 78 14.431 0.058 -0.604 1.00 0.00 C ATOM 0 H ALA A 78 12.696 -0.872 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 78 15.316 -1.761 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.138 0.189 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.775 0.619 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.451 0.425 -0.299 1.00 0.00 H new ATOM 1187 N HIS A 79 12.611 -2.494 0.361 1.00 0.00 N ATOM 1188 CA HIS A 79 12.063 -3.270 1.468 1.00 0.00 C ATOM 1189 C HIS A 79 12.319 -4.758 1.266 1.00 0.00 C ATOM 1190 O HIS A 79 12.128 -5.560 2.178 1.00 0.00 O ATOM 1191 CB HIS A 79 10.560 -3.011 1.601 1.00 0.00 C ATOM 1192 CG HIS A 79 10.064 -3.064 3.013 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.449 -4.076 3.674 1.00 0.00 N flip ATOM 1194 CD2 HIS A 79 10.189 -1.986 3.857 1.00 0.00 C flip ATOM 1195 CE1 HIS A 79 9.195 -3.620 4.941 1.00 0.00 C flip ATOM 1196 NE2 HIS A 79 9.656 -2.362 5.006 1.00 0.00 N flip ATOM 0 H HIS A 79 11.914 -2.176 -0.313 1.00 0.00 H new ATOM 0 HA HIS A 79 12.562 -2.956 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.330 -2.032 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.019 -3.748 1.007 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.220 -4.997 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.632 -1.028 3.628 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.714 -4.170 5.737 1.00 0.00 H new ATOM 1204 N GLN A 80 12.745 -5.120 0.060 1.00 0.00 N ATOM 1205 CA GLN A 80 13.039 -6.509 -0.262 1.00 0.00 C ATOM 1206 C GLN A 80 14.449 -6.877 0.191 1.00 0.00 C ATOM 1207 O GLN A 80 14.699 -8.001 0.625 1.00 0.00 O ATOM 1208 CB GLN A 80 12.875 -6.743 -1.769 1.00 0.00 C ATOM 1209 CG GLN A 80 13.906 -7.687 -2.366 1.00 0.00 C ATOM 1210 CD GLN A 80 13.929 -7.645 -3.882 1.00 0.00 C ATOM 1211 OE1 GLN A 80 13.883 -6.442 -4.442 1.00 0.00 O flip ATOM 1212 NE2 GLN A 80 13.989 -8.683 -4.541 1.00 0.00 N flip ATOM 0 H GLN A 80 12.894 -4.468 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 80 12.335 -7.150 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.879 -7.144 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.935 -5.784 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.894 -7.428 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.694 -8.705 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.023 -9.586 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.005 -8.640 -5.560 1.00 0.00 H new ATOM 1221 N ALA A 81 15.367 -5.922 0.081 1.00 0.00 N ATOM 1222 CA ALA A 81 16.756 -6.148 0.464 1.00 0.00 C ATOM 1223 C ALA A 81 16.943 -6.048 1.975 1.00 0.00 C ATOM 1224 O ALA A 81 17.542 -6.928 2.593 1.00 0.00 O ATOM 1225 CB ALA A 81 17.664 -5.153 -0.243 1.00 0.00 C ATOM 0 H ALA A 81 15.174 -4.984 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 81 17.025 -7.159 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.698 -5.332 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.567 -5.275 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.378 -4.138 0.035 1.00 0.00 H new ATOM 1231 N LYS A 82 16.441 -4.966 2.560 1.00 0.00 N ATOM 1232 CA LYS A 82 16.577 -4.735 3.995 1.00 0.00 C ATOM 1233 C LYS A 82 15.903 -5.838 4.807 1.00 0.00 C ATOM 1234 O LYS A 82 16.414 -6.253 5.848 1.00 0.00 O ATOM 1235 CB LYS A 82 15.978 -3.379 4.370 1.00 0.00 C ATOM 1236 CG LYS A 82 16.975 -2.235 4.315 1.00 0.00 C ATOM 1237 CD LYS A 82 17.700 -2.063 5.641 1.00 0.00 C ATOM 1238 CE LYS A 82 18.900 -1.140 5.503 1.00 0.00 C ATOM 1239 NZ LYS A 82 19.705 -1.451 4.291 1.00 0.00 N ATOM 0 H LYS A 82 15.935 -4.233 2.062 1.00 0.00 H new ATOM 0 HA LYS A 82 17.641 -4.742 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.149 -3.159 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.564 -3.440 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.701 -2.422 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.456 -1.311 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.012 -1.659 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.028 -3.036 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.559 -0.106 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.529 -1.228 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.656 -1.043 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.781 -2.482 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.242 -1.045 3.453 1.00 0.00 H new ATOM 1253 N GLU A 83 14.750 -6.299 4.334 1.00 0.00 N ATOM 1254 CA GLU A 83 13.997 -7.334 5.034 1.00 0.00 C ATOM 1255 C GLU A 83 14.649 -8.706 4.865 1.00 0.00 C ATOM 1256 O GLU A 83 14.881 -9.415 5.845 1.00 0.00 O ATOM 1257 CB GLU A 83 12.549 -7.363 4.527 1.00 0.00 C ATOM 1258 CG GLU A 83 11.841 -8.692 4.749 1.00 0.00 C ATOM 1259 CD GLU A 83 10.454 -8.724 4.137 1.00 0.00 C ATOM 1260 OE1 GLU A 83 10.295 -8.229 3.001 1.00 0.00 O ATOM 1261 OE2 GLU A 83 9.528 -9.246 4.792 1.00 0.00 O ATOM 0 H GLU A 83 14.317 -5.973 3.470 1.00 0.00 H new ATOM 0 HA GLU A 83 13.998 -7.095 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.985 -6.575 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.543 -7.134 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.441 -9.495 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.766 -8.885 5.819 1.00 0.00 H new ATOM 1268 N ALA A 84 14.938 -9.078 3.621 1.00 0.00 N ATOM 1269 CA ALA A 84 15.548 -10.372 3.332 1.00 0.00 C ATOM 1270 C ALA A 84 16.940 -10.484 3.945 1.00 0.00 C ATOM 1271 O ALA A 84 17.415 -11.584 4.228 1.00 0.00 O ATOM 1272 CB ALA A 84 15.612 -10.603 1.829 1.00 0.00 C ATOM 0 H ALA A 84 14.760 -8.502 2.798 1.00 0.00 H new ATOM 0 HA ALA A 84 14.923 -11.142 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.069 -11.572 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.604 -10.585 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 84 16.209 -9.818 1.365 1.00 0.00 H new ATOM 1278 N ALA A 85 17.593 -9.342 4.141 1.00 0.00 N ATOM 1279 CA ALA A 85 18.936 -9.318 4.711 1.00 0.00 C ATOM 1280 C ALA A 85 18.935 -9.832 6.148 1.00 0.00 C ATOM 1281 O ALA A 85 19.388 -10.944 6.419 1.00 0.00 O ATOM 1282 CB ALA A 85 19.511 -7.912 4.651 1.00 0.00 C ATOM 0 H ALA A 85 17.214 -8.423 3.914 1.00 0.00 H new ATOM 0 HA ALA A 85 19.566 -9.981 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.513 -7.910 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.560 -7.583 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.873 -7.233 5.217 1.00 0.00 H new ATOM 1288 N GLN A 86 18.430 -9.012 7.064 1.00 0.00 N ATOM 1289 CA GLN A 86 18.376 -9.380 8.475 1.00 0.00 C ATOM 1290 C GLN A 86 17.085 -10.125 8.795 1.00 0.00 C ATOM 1291 O GLN A 86 16.017 -9.522 8.901 1.00 0.00 O ATOM 1292 CB GLN A 86 18.490 -8.135 9.358 1.00 0.00 C ATOM 1293 CG GLN A 86 19.315 -7.019 8.736 1.00 0.00 C ATOM 1294 CD GLN A 86 19.067 -5.675 9.392 1.00 0.00 C ATOM 1295 OE1 GLN A 86 19.057 -5.561 10.618 1.00 0.00 O ATOM 1296 NE2 GLN A 86 18.866 -4.646 8.576 1.00 0.00 N ATOM 0 H GLN A 86 18.052 -8.088 6.855 1.00 0.00 H new ATOM 0 HA GLN A 86 19.218 -10.041 8.681 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.489 -7.759 9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.936 -8.416 10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 86 20.373 -7.268 8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.082 -6.949 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.883 -4.785 7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.695 -3.717 8.960 1.00 0.00 H new ATOM 1305 N LYS A 87 17.191 -11.441 8.949 1.00 0.00 N ATOM 1306 CA LYS A 87 16.033 -12.271 9.259 1.00 0.00 C ATOM 1307 C LYS A 87 15.902 -12.473 10.766 1.00 0.00 C ATOM 1308 O LYS A 87 15.568 -13.564 11.230 1.00 0.00 O ATOM 1309 CB LYS A 87 16.148 -13.625 8.555 1.00 0.00 C ATOM 1310 CG LYS A 87 16.504 -13.515 7.083 1.00 0.00 C ATOM 1311 CD LYS A 87 16.526 -14.877 6.410 1.00 0.00 C ATOM 1312 CE LYS A 87 16.842 -14.761 4.928 1.00 0.00 C ATOM 1313 NZ LYS A 87 17.804 -15.805 4.482 1.00 0.00 N ATOM 0 H LYS A 87 18.068 -11.956 8.864 1.00 0.00 H new ATOM 0 HA LYS A 87 15.140 -11.760 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.905 -14.225 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.202 -14.158 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.782 -12.872 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.480 -13.041 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.270 -15.511 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.559 -15.364 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.920 -14.847 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.256 -13.774 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.993 -15.691 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.693 -15.707 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.399 -16.747 4.655 1.00 0.00 H new ATOM 1327 N ALA A 88 16.173 -11.415 11.523 1.00 0.00 N ATOM 1328 CA ALA A 88 16.092 -11.473 12.978 1.00 0.00 C ATOM 1329 C ALA A 88 14.671 -11.200 13.460 1.00 0.00 C ATOM 1330 O ALA A 88 14.402 -11.209 14.662 1.00 0.00 O ATOM 1331 CB ALA A 88 17.062 -10.480 13.599 1.00 0.00 C ATOM 0 H ALA A 88 16.451 -10.506 11.153 1.00 0.00 H new ATOM 0 HA ALA A 88 16.367 -12.479 13.293 1.00 0.00 H new ATOM 0 HB1 ALA A 88 16.992 -10.533 14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 88 18.079 -10.722 13.289 1.00 0.00 H new ATOM 0 HB3 ALA A 88 16.812 -9.472 13.268 1.00 0.00 H new ATOM 1337 N VAL A 89 13.766 -10.957 12.518 1.00 0.00 N ATOM 1338 CA VAL A 89 12.372 -10.684 12.846 1.00 0.00 C ATOM 1339 C VAL A 89 11.515 -11.933 12.671 1.00 0.00 C ATOM 1340 O VAL A 89 10.602 -12.186 13.456 1.00 0.00 O ATOM 1341 CB VAL A 89 11.794 -9.552 11.975 1.00 0.00 C ATOM 1342 CG1 VAL A 89 11.795 -8.236 12.738 1.00 0.00 C ATOM 1343 CG2 VAL A 89 12.565 -9.420 10.669 1.00 0.00 C ATOM 0 H VAL A 89 13.974 -10.944 11.519 1.00 0.00 H new ATOM 0 HA VAL A 89 12.350 -10.371 13.890 1.00 0.00 H new ATOM 0 HB VAL A 89 10.763 -9.806 11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.383 -7.449 12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.186 -8.336 13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.816 -7.979 13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.136 -8.614 10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.610 -9.196 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.502 -10.355 10.113 1.00 0.00 H new ATOM 1353 N ASN A 90 11.819 -12.712 11.637 1.00 0.00 N ATOM 1354 CA ASN A 90 11.081 -13.938 11.357 1.00 0.00 C ATOM 1355 C ASN A 90 11.726 -15.132 12.051 1.00 0.00 C ATOM 1356 O ASN A 90 12.849 -15.042 12.548 1.00 0.00 O ATOM 1357 CB ASN A 90 11.017 -14.184 9.848 1.00 0.00 C ATOM 1358 CG ASN A 90 9.603 -14.431 9.361 1.00 0.00 C ATOM 1359 OD1 ASN A 90 9.087 -15.626 9.622 1.00 0.00 O flip ATOM 1360 ND2 ASN A 90 8.981 -13.557 8.757 1.00 0.00 N flip ATOM 0 H ASN A 90 12.573 -12.515 10.979 1.00 0.00 H new ATOM 0 HA ASN A 90 10.069 -13.820 11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.433 -13.323 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.640 -15.042 9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.417 -12.652 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.030 -13.738 8.436 1.00 0.00 H new ATOM 1367 N SER A 91 11.008 -16.252 12.082 1.00 0.00 N ATOM 1368 CA SER A 91 11.509 -17.465 12.717 1.00 0.00 C ATOM 1369 C SER A 91 12.576 -18.133 11.855 1.00 0.00 C ATOM 1370 O SER A 91 12.268 -18.744 10.831 1.00 0.00 O ATOM 1371 CB SER A 91 10.360 -18.442 12.975 1.00 0.00 C ATOM 1372 OG SER A 91 10.436 -18.989 14.280 1.00 0.00 O ATOM 0 H SER A 91 10.077 -16.343 11.674 1.00 0.00 H new ATOM 0 HA SER A 91 11.961 -17.185 13.669 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.407 -17.928 12.848 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.390 -19.245 12.239 1.00 0.00 H new ATOM 0 HG SER A 91 9.689 -19.608 14.419 1.00 0.00 H new ATOM 1378 N ALA A 92 13.831 -18.012 12.277 1.00 0.00 N ATOM 1379 CA ALA A 92 14.946 -18.603 11.546 1.00 0.00 C ATOM 1380 C ALA A 92 15.012 -20.110 11.773 1.00 0.00 C ATOM 1381 O ALA A 92 14.137 -20.691 12.416 1.00 0.00 O ATOM 1382 CB ALA A 92 16.254 -17.947 11.958 1.00 0.00 C ATOM 0 H ALA A 92 14.101 -17.509 13.122 1.00 0.00 H new ATOM 0 HA ALA A 92 14.785 -18.428 10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.077 -18.398 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.211 -16.880 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.413 -18.092 13.027 1.00 0.00 H new ATOM 1388 N THR A 93 16.058 -20.737 11.242 1.00 0.00 N ATOM 1389 CA THR A 93 16.241 -22.176 11.385 1.00 0.00 C ATOM 1390 C THR A 93 17.446 -22.487 12.267 1.00 0.00 C ATOM 1391 O THR A 93 18.219 -21.594 12.616 1.00 0.00 O ATOM 1392 CB THR A 93 16.420 -22.826 10.012 1.00 0.00 C ATOM 1393 OG1 THR A 93 17.659 -22.449 9.439 1.00 0.00 O ATOM 1394 CG2 THR A 93 15.329 -22.464 9.029 1.00 0.00 C ATOM 0 H THR A 93 16.791 -20.270 10.709 1.00 0.00 H new ATOM 0 HA THR A 93 15.350 -22.585 11.861 1.00 0.00 H new ATOM 0 HB THR A 93 16.378 -23.900 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 93 18.232 -23.239 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.518 -22.959 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.365 -22.787 9.421 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.317 -21.384 8.880 1.00 0.00 H new ATOM 1402 N GLY A 94 17.598 -23.759 12.625 1.00 0.00 N ATOM 1403 CA GLY A 94 18.710 -24.166 13.465 1.00 0.00 C ATOM 1404 C GLY A 94 19.947 -24.518 12.660 1.00 0.00 C ATOM 1405 O GLY A 94 21.063 -24.158 13.035 1.00 0.00 O ATOM 0 H GLY A 94 16.971 -24.515 12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.950 -23.361 14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 94 18.413 -25.027 14.064 1.00 0.00 H new ATOM 1409 N VAL A 95 19.747 -25.222 11.551 1.00 0.00 N ATOM 1410 CA VAL A 95 20.853 -25.624 10.689 1.00 0.00 C ATOM 1411 C VAL A 95 21.013 -24.655 9.517 1.00 0.00 C ATOM 1412 O VAL A 95 20.028 -24.264 8.890 1.00 0.00 O ATOM 1413 CB VAL A 95 20.653 -27.050 10.135 1.00 0.00 C ATOM 1414 CG1 VAL A 95 21.981 -27.786 10.063 1.00 0.00 C ATOM 1415 CG2 VAL A 95 19.652 -27.825 10.982 1.00 0.00 C ATOM 0 H VAL A 95 18.829 -25.526 11.228 1.00 0.00 H new ATOM 0 HA VAL A 95 21.753 -25.607 11.303 1.00 0.00 H new ATOM 0 HB VAL A 95 20.250 -26.970 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.820 -28.790 9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.662 -27.244 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 95 22.415 -27.852 11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 95 19.527 -28.827 10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 95 20.019 -27.895 12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.692 -27.308 10.975 1.00 0.00 H new ATOM 1425 N PRO A 96 22.261 -24.251 9.207 1.00 0.00 N ATOM 1426 CA PRO A 96 22.539 -23.328 8.101 1.00 0.00 C ATOM 1427 C PRO A 96 22.041 -23.867 6.764 1.00 0.00 C ATOM 1428 O PRO A 96 21.554 -23.114 5.921 1.00 0.00 O ATOM 1429 CB PRO A 96 24.068 -23.207 8.095 1.00 0.00 C ATOM 1430 CG PRO A 96 24.556 -24.380 8.875 1.00 0.00 C ATOM 1431 CD PRO A 96 23.494 -24.666 9.895 1.00 0.00 C ATOM 0 HA PRO A 96 22.031 -22.373 8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 96 24.460 -23.220 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 96 24.391 -22.270 8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 96 24.716 -25.241 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 96 25.510 -24.160 9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 96 23.469 -25.721 10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 96 23.654 -24.102 10.814 1.00 0.00 H new ATOM 1439 N THR A 97 22.163 -25.178 6.580 1.00 0.00 N ATOM 1440 CA THR A 97 21.713 -25.824 5.352 1.00 0.00 C ATOM 1441 C THR A 97 20.391 -26.548 5.581 1.00 0.00 C ATOM 1442 O THR A 97 20.069 -26.928 6.705 1.00 0.00 O ATOM 1443 CB THR A 97 22.771 -26.810 4.849 1.00 0.00 C ATOM 1444 OG1 THR A 97 22.349 -27.427 3.646 1.00 0.00 O ATOM 1445 CG2 THR A 97 23.093 -27.905 5.842 1.00 0.00 C ATOM 0 H THR A 97 22.570 -25.814 7.266 1.00 0.00 H new ATOM 0 HA THR A 97 21.562 -25.054 4.596 1.00 0.00 H new ATOM 0 HB THR A 97 23.670 -26.213 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.039 -28.052 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 97 23.849 -28.567 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 97 23.471 -27.461 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 97 22.191 -28.477 6.059 1.00 0.00 H new ATOM 1453 N VAL A 98 19.627 -26.730 4.509 1.00 0.00 N ATOM 1454 CA VAL A 98 18.335 -27.403 4.601 1.00 0.00 C ATOM 1455 C VAL A 98 18.379 -28.771 3.928 1.00 0.00 C ATOM 1456 O VAL A 98 17.757 -29.709 4.467 1.00 0.00 O ATOM 1457 CB VAL A 98 17.205 -26.567 3.965 1.00 0.00 C ATOM 1458 CG1 VAL A 98 16.095 -26.316 4.976 1.00 0.00 C ATOM 1459 CG2 VAL A 98 17.743 -25.253 3.417 1.00 0.00 C ATOM 1460 OXT VAL A 98 19.160 -28.927 2.966 1.00 0.00 O ATOM 0 H VAL A 98 19.878 -26.422 3.569 1.00 0.00 H new ATOM 0 HA VAL A 98 18.125 -27.526 5.663 1.00 0.00 H new ATOM 0 HB VAL A 98 16.790 -27.133 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.306 -25.725 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 98 15.685 -27.269 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 98 16.498 -25.774 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.927 -24.682 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 98 18.191 -24.677 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 98 18.497 -25.457 2.657 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 12.697 2.798 13.235 1.00 0.00 N ATOM 1472 CA VAL B 1 11.720 3.267 12.219 1.00 0.00 C ATOM 1473 C VAL B 1 12.170 2.887 10.809 1.00 0.00 C ATOM 1474 O VAL B 1 13.365 2.878 10.510 1.00 0.00 O ATOM 1475 CB VAL B 1 11.522 4.795 12.293 1.00 0.00 C ATOM 1476 CG1 VAL B 1 12.815 5.523 11.955 1.00 0.00 C ATOM 1477 CG2 VAL B 1 10.396 5.236 11.372 1.00 0.00 C ATOM 0 H1 VAL B 1 12.848 3.545 13.942 1.00 0.00 H new ATOM 0 H2 VAL B 1 12.328 1.947 13.705 1.00 0.00 H new ATOM 0 H3 VAL B 1 13.600 2.573 12.770 1.00 0.00 H new ATOM 0 HA VAL B 1 10.772 2.776 12.439 1.00 0.00 H new ATOM 0 HB VAL B 1 11.245 5.054 13.315 1.00 0.00 H new ATOM 0 HG11 VAL B 1 12.653 6.599 12.013 1.00 0.00 H new ATOM 0 HG12 VAL B 1 13.591 5.234 12.664 1.00 0.00 H new ATOM 0 HG13 VAL B 1 13.129 5.258 10.945 1.00 0.00 H new ATOM 0 HG21 VAL B 1 10.273 6.317 11.439 1.00 0.00 H new ATOM 0 HG22 VAL B 1 10.637 4.962 10.345 1.00 0.00 H new ATOM 0 HG23 VAL B 1 9.469 4.746 11.670 1.00 0.00 H new ATOM 1489 N VAL B 2 11.206 2.569 9.951 1.00 0.00 N ATOM 1490 CA VAL B 2 11.502 2.190 8.574 1.00 0.00 C ATOM 1491 C VAL B 2 11.527 3.413 7.663 1.00 0.00 C ATOM 1492 O VAL B 2 10.528 4.121 7.531 1.00 0.00 O ATOM 1493 CB VAL B 2 10.474 1.180 8.029 1.00 0.00 C ATOM 1494 CG1 VAL B 2 11.086 0.345 6.915 1.00 0.00 C ATOM 1495 CG2 VAL B 2 9.949 0.289 9.145 1.00 0.00 C ATOM 0 H VAL B 2 10.213 2.566 10.185 1.00 0.00 H new ATOM 0 HA VAL B 2 12.486 1.722 8.582 1.00 0.00 H new ATOM 0 HB VAL B 2 9.632 1.737 7.617 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.346 -0.363 6.542 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.404 0.999 6.103 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.947 -0.200 7.300 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.225 -0.416 8.737 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.778 -0.260 9.593 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.468 0.904 9.906 1.00 0.00 H new ATOM 1505 N LYS B 3 12.676 3.657 7.041 1.00 0.00 N ATOM 1506 CA LYS B 3 12.835 4.799 6.147 1.00 0.00 C ATOM 1507 C LYS B 3 12.176 4.536 4.797 1.00 0.00 C ATOM 1508 O LYS B 3 12.736 3.845 3.947 1.00 0.00 O ATOM 1509 CB LYS B 3 14.320 5.113 5.949 1.00 0.00 C ATOM 1510 CG LYS B 3 15.104 5.202 7.248 1.00 0.00 C ATOM 1511 CD LYS B 3 14.895 6.542 7.935 1.00 0.00 C ATOM 1512 CE LYS B 3 15.751 6.666 9.184 1.00 0.00 C ATOM 1513 NZ LYS B 3 15.338 7.820 10.030 1.00 0.00 N ATOM 0 H LYS B 3 13.511 3.079 7.139 1.00 0.00 H new ATOM 0 HA LYS B 3 12.344 5.657 6.607 1.00 0.00 H new ATOM 0 HB2 LYS B 3 14.764 4.343 5.319 1.00 0.00 H new ATOM 0 HB3 LYS B 3 14.414 6.057 5.413 1.00 0.00 H new ATOM 0 HG2 LYS B 3 14.796 4.398 7.916 1.00 0.00 H new ATOM 0 HG3 LYS B 3 16.165 5.058 7.044 1.00 0.00 H new ATOM 0 HD2 LYS B 3 15.139 7.349 7.244 1.00 0.00 H new ATOM 0 HD3 LYS B 3 13.844 6.656 8.200 1.00 0.00 H new ATOM 0 HE2 LYS B 3 15.680 5.747 9.765 1.00 0.00 H new ATOM 0 HE3 LYS B 3 16.796 6.782 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 15.947 7.869 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 15.430 8.701 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 14.348 7.697 10.325 1.00 0.00 H new ATOM 1527 N SER B 4 10.982 5.089 4.610 1.00 0.00 N ATOM 1528 CA SER B 4 10.248 4.921 3.360 1.00 0.00 C ATOM 1529 C SER B 4 10.533 6.075 2.403 1.00 0.00 C ATOM 1530 O SER B 4 11.470 6.848 2.609 1.00 0.00 O ATOM 1531 CB SER B 4 8.746 4.829 3.632 1.00 0.00 C ATOM 1532 OG SER B 4 8.075 4.166 2.575 1.00 0.00 O ATOM 0 H SER B 4 10.502 5.657 5.308 1.00 0.00 H new ATOM 0 HA SER B 4 10.582 3.994 2.894 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.575 4.295 4.567 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.334 5.830 3.757 1.00 0.00 H new ATOM 0 HG SER B 4 7.107 4.258 2.694 1.00 0.00 H new ATOM 1538 N ASN B 5 9.714 6.189 1.362 1.00 0.00 N ATOM 1539 CA ASN B 5 9.874 7.252 0.375 1.00 0.00 C ATOM 1540 C ASN B 5 8.806 8.326 0.555 1.00 0.00 C ATOM 1541 O ASN B 5 9.120 9.494 0.788 1.00 0.00 O ATOM 1542 CB ASN B 5 9.802 6.676 -1.038 1.00 0.00 C ATOM 1543 CG ASN B 5 11.149 6.187 -1.534 1.00 0.00 C ATOM 1544 OD1 ASN B 5 11.153 5.037 -2.196 1.00 0.00 O flip ATOM 1545 ND2 ASN B 5 12.173 6.837 -1.326 1.00 0.00 N flip ATOM 0 H ASN B 5 8.933 5.559 1.180 1.00 0.00 H new ATOM 0 HA ASN B 5 10.852 7.710 0.524 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.091 5.850 -1.055 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.422 7.438 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN B 5 12.123 7.717 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN B 5 13.072 6.496 -1.668 1.00 0.00 H new ATOM 1552 N LEU B 6 7.543 7.925 0.445 1.00 0.00 N ATOM 1553 CA LEU B 6 6.429 8.853 0.610 1.00 0.00 C ATOM 1554 C LEU B 6 6.245 9.207 2.083 1.00 0.00 C ATOM 1555 O LEU B 6 6.824 10.179 2.570 1.00 0.00 O ATOM 1556 CB LEU B 6 5.141 8.248 0.043 1.00 0.00 C ATOM 1557 CG LEU B 6 4.586 8.943 -1.206 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.360 10.426 -0.943 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.520 8.745 -2.389 1.00 0.00 C ATOM 0 H LEU B 6 7.266 6.965 0.243 1.00 0.00 H new ATOM 0 HA LEU B 6 6.655 9.766 0.059 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.325 7.201 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.377 8.268 0.820 1.00 0.00 H new ATOM 0 HG LEU B 6 3.625 8.490 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.966 10.899 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.647 10.546 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.305 10.895 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.108 9.246 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.497 9.167 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.625 7.680 -2.596 1.00 0.00 H new ATOM 1571 N ASN B 7 5.461 8.401 2.797 1.00 0.00 N ATOM 1572 CA ASN B 7 5.238 8.630 4.221 1.00 0.00 C ATOM 1573 C ASN B 7 6.470 8.230 5.027 1.00 0.00 C ATOM 1574 O ASN B 7 6.998 7.132 4.853 1.00 0.00 O ATOM 1575 CB ASN B 7 4.041 7.823 4.714 1.00 0.00 C ATOM 1576 CG ASN B 7 3.253 8.551 5.784 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.881 8.766 6.933 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.093 8.911 5.582 1.00 0.00 N flip ATOM 0 H ASN B 7 4.974 7.590 2.416 1.00 0.00 H new ATOM 0 HA ASN B 7 5.041 9.693 4.360 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.385 7.600 3.872 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.388 6.868 5.109 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.650 8.724 4.682 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.575 9.396 6.314 1.00 0.00 H new ATOM 1585 N PRO B 8 6.934 9.098 5.941 1.00 0.00 N ATOM 1586 CA PRO B 8 8.098 8.801 6.774 1.00 0.00 C ATOM 1587 C PRO B 8 7.771 7.808 7.883 1.00 0.00 C ATOM 1588 O PRO B 8 8.649 7.391 8.639 1.00 0.00 O ATOM 1589 CB PRO B 8 8.470 10.163 7.357 1.00 0.00 C ATOM 1590 CG PRO B 8 7.183 10.913 7.404 1.00 0.00 C ATOM 1591 CD PRO B 8 6.371 10.432 6.230 1.00 0.00 C ATOM 0 HA PRO B 8 8.904 8.335 6.207 1.00 0.00 H new ATOM 0 HB2 PRO B 8 8.908 10.063 8.350 1.00 0.00 H new ATOM 0 HB3 PRO B 8 9.205 10.674 6.735 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.659 10.728 8.342 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.356 11.987 7.343 1.00 0.00 H new ATOM 0 HD2 PRO B 8 5.310 10.375 6.473 1.00 0.00 H new ATOM 0 HD3 PRO B 8 6.467 11.101 5.375 1.00 0.00 H new ATOM 1599 N ASN B 9 6.497 7.438 7.973 1.00 0.00 N ATOM 1600 CA ASN B 9 6.040 6.487 8.979 1.00 0.00 C ATOM 1601 C ASN B 9 5.346 5.298 8.320 1.00 0.00 C ATOM 1602 O ASN B 9 4.240 4.924 8.701 1.00 0.00 O ATOM 1603 CB ASN B 9 5.089 7.173 9.963 1.00 0.00 C ATOM 1604 CG ASN B 9 5.771 8.266 10.762 1.00 0.00 C ATOM 1605 OD1 ASN B 9 6.648 7.996 11.582 1.00 0.00 O ATOM 1606 ND2 ASN B 9 5.371 9.509 10.525 1.00 0.00 N ATOM 0 H ASN B 9 5.761 7.785 7.358 1.00 0.00 H new ATOM 0 HA ASN B 9 6.909 6.121 9.525 1.00 0.00 H new ATOM 0 HB2 ASN B 9 4.249 7.599 9.415 1.00 0.00 H new ATOM 0 HB3 ASN B 9 4.680 6.429 10.646 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.794 10.286 11.032 1.00 0.00 H new ATOM 0 HD22 ASN B 9 4.640 9.687 9.836 1.00 0.00 H new ATOM 1613 N ALA B 10 6.006 4.717 7.323 1.00 0.00 N ATOM 1614 CA ALA B 10 5.458 3.578 6.589 1.00 0.00 C ATOM 1615 C ALA B 10 5.058 2.435 7.531 1.00 0.00 C ATOM 1616 O ALA B 10 5.888 1.600 7.895 1.00 0.00 O ATOM 1617 CB ALA B 10 6.471 3.093 5.554 1.00 0.00 C ATOM 0 H ALA B 10 6.927 5.017 7.002 1.00 0.00 H new ATOM 0 HA ALA B 10 4.553 3.908 6.079 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.057 2.244 5.010 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.691 3.900 4.855 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.389 2.789 6.058 1.00 0.00 H new ATOM 1623 N LYS B 11 3.777 2.399 7.912 1.00 0.00 N ATOM 1624 CA LYS B 11 3.259 1.351 8.798 1.00 0.00 C ATOM 1625 C LYS B 11 2.337 0.406 8.034 1.00 0.00 C ATOM 1626 O LYS B 11 1.352 0.842 7.445 1.00 0.00 O ATOM 1627 CB LYS B 11 2.494 1.966 9.971 1.00 0.00 C ATOM 1628 CG LYS B 11 3.250 3.070 10.686 1.00 0.00 C ATOM 1629 CD LYS B 11 3.444 2.748 12.159 1.00 0.00 C ATOM 1630 CE LYS B 11 3.679 4.005 12.980 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.526 4.945 12.900 1.00 0.00 N ATOM 0 H LYS B 11 3.079 3.084 7.621 1.00 0.00 H new ATOM 0 HA LYS B 11 4.110 0.788 9.181 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.547 2.365 9.606 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.254 1.180 10.687 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.221 3.213 10.213 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.706 4.009 10.586 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.565 2.225 12.537 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.292 2.073 12.276 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.853 3.732 14.021 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.581 4.506 12.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.800 5.785 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 1.725 4.473 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.247 5.234 13.859 1.00 0.00 H new ATOM 1645 N GLU B 12 2.653 -0.889 8.075 1.00 0.00 N ATOM 1646 CA GLU B 12 1.888 -1.912 7.353 1.00 0.00 C ATOM 1647 C GLU B 12 0.375 -1.776 7.555 1.00 0.00 C ATOM 1648 O GLU B 12 -0.091 -0.994 8.384 1.00 0.00 O ATOM 1649 CB GLU B 12 2.336 -3.306 7.798 1.00 0.00 C ATOM 1650 CG GLU B 12 3.843 -3.506 7.757 1.00 0.00 C ATOM 1651 CD GLU B 12 4.256 -4.910 8.152 1.00 0.00 C ATOM 1652 OE1 GLU B 12 3.674 -5.453 9.115 1.00 0.00 O ATOM 1653 OE2 GLU B 12 5.160 -5.468 7.495 1.00 0.00 O ATOM 0 H GLU B 12 3.441 -1.259 8.606 1.00 0.00 H new ATOM 0 HA GLU B 12 2.089 -1.767 6.292 1.00 0.00 H new ATOM 0 HB2 GLU B 12 1.982 -3.485 8.813 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.862 -4.051 7.159 1.00 0.00 H new ATOM 0 HG2 GLU B 12 4.207 -3.294 6.752 1.00 0.00 H new ATOM 0 HG3 GLU B 12 4.319 -2.789 8.426 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.380 -2.585 6.810 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.841 -2.578 6.883 1.00 0.00 C ATOM 1662 C PHE B 13 -2.321 -3.518 7.981 1.00 0.00 C ATOM 1663 O PHE B 13 -2.765 -4.634 7.711 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.433 -3.008 5.530 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.794 -2.442 5.212 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.537 -1.762 6.168 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.338 -2.614 3.947 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.782 -1.248 5.859 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.582 -2.099 3.633 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.301 -1.412 4.588 1.00 0.00 C ATOM 0 H PHE B 13 0.000 -3.258 6.145 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.176 -1.567 7.117 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.742 -2.714 4.740 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.496 -4.096 5.509 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.138 -1.634 7.163 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.782 -3.158 3.198 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.349 -0.718 6.610 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.990 -2.234 2.642 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.270 -1.002 4.343 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.221 -3.057 9.224 1.00 0.00 N ATOM 1681 CA VAL B 14 -2.591 -3.875 10.371 1.00 0.00 C ATOM 1682 C VAL B 14 -3.781 -3.318 11.174 1.00 0.00 C ATOM 1683 O VAL B 14 -4.535 -4.100 11.755 1.00 0.00 O ATOM 1684 CB VAL B 14 -1.390 -4.081 11.314 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -0.445 -5.121 10.735 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -0.657 -2.774 11.567 1.00 0.00 C ATOM 0 H VAL B 14 -1.887 -2.123 9.461 1.00 0.00 H new ATOM 0 HA VAL B 14 -2.906 -4.831 9.952 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.766 -4.440 12.272 1.00 0.00 H new ATOM 0 HG11 VAL B 14 0.401 -5.259 11.409 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -0.973 -6.067 10.617 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -0.083 -4.783 9.764 1.00 0.00 H new ATOM 0 HG21 VAL B 14 0.185 -2.953 12.236 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -0.291 -2.373 10.622 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -1.339 -2.057 12.025 1.00 0.00 H new ATOM 1696 N PRO B 15 -3.980 -1.978 11.255 1.00 0.00 N ATOM 1697 CA PRO B 15 -5.094 -1.408 12.026 1.00 0.00 C ATOM 1698 C PRO B 15 -6.444 -1.976 11.602 1.00 0.00 C ATOM 1699 O PRO B 15 -7.304 -2.248 12.440 1.00 0.00 O ATOM 1700 CB PRO B 15 -5.024 0.089 11.716 1.00 0.00 C ATOM 1701 CG PRO B 15 -3.609 0.327 11.332 1.00 0.00 C ATOM 1702 CD PRO B 15 -3.163 -0.920 10.626 1.00 0.00 C ATOM 0 HA PRO B 15 -5.008 -1.638 13.088 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -5.705 0.359 10.908 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -5.305 0.687 12.583 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -3.521 1.197 10.682 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -2.993 0.521 12.210 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -3.341 -0.860 9.552 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.097 -1.100 10.763 1.00 0.00 H new ATOM 1710 N GLY B 16 -6.625 -2.145 10.296 1.00 0.00 N ATOM 1711 CA GLY B 16 -7.876 -2.673 9.784 1.00 0.00 C ATOM 1712 C GLY B 16 -8.934 -1.599 9.626 1.00 0.00 C ATOM 1713 O GLY B 16 -9.777 -1.674 8.731 1.00 0.00 O ATOM 0 H GLY B 16 -5.928 -1.926 9.584 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -7.699 -3.149 8.820 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -8.244 -3.446 10.459 1.00 0.00 H new ATOM 1717 N VAL B 17 -8.888 -0.595 10.497 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.843 0.506 10.450 1.00 0.00 C ATOM 1719 C VAL B 17 -9.276 1.681 9.659 1.00 0.00 C ATOM 1720 O VAL B 17 -8.218 1.570 9.040 1.00 0.00 O ATOM 1721 CB VAL B 17 -10.223 0.985 11.865 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -10.891 -0.137 12.647 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -8.998 1.504 12.603 1.00 0.00 C ATOM 0 H VAL B 17 -8.198 -0.522 11.245 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.739 0.132 9.954 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.934 1.805 11.771 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -11.152 0.219 13.643 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.795 -0.455 12.127 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.205 -0.980 12.731 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.288 1.837 13.600 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -8.259 0.707 12.687 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -8.568 2.340 12.052 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.989 2.804 9.676 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.552 3.997 8.960 1.00 0.00 C ATOM 1735 C LYS B 18 -8.204 4.479 9.486 1.00 0.00 C ATOM 1736 O LYS B 18 -8.138 5.252 10.441 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.596 5.107 9.090 1.00 0.00 C ATOM 1738 CG LYS B 18 -12.001 4.662 8.720 1.00 0.00 C ATOM 1739 CD LYS B 18 -13.006 5.033 9.799 1.00 0.00 C ATOM 1740 CE LYS B 18 -14.057 3.949 9.977 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.584 2.857 10.872 1.00 0.00 N ATOM 0 H LYS B 18 -10.871 2.912 10.177 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.439 3.741 7.907 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.598 5.475 10.116 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.308 5.943 8.452 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.293 5.122 7.776 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -12.013 3.583 8.566 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.485 5.195 10.743 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.492 5.973 9.538 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.965 4.388 10.390 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.318 3.533 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.353 2.173 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.773 2.376 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.295 3.259 11.787 1.00 0.00 H new ATOM 1755 N TYR B 19 -7.133 4.007 8.857 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.781 4.373 9.263 1.00 0.00 C ATOM 1757 C TYR B 19 -5.373 5.714 8.663 1.00 0.00 C ATOM 1758 O TYR B 19 -5.039 5.801 7.481 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.793 3.284 8.837 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.458 3.337 9.554 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.327 3.950 10.796 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.330 2.753 8.992 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.110 3.991 11.448 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.109 2.787 9.639 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.005 3.408 10.866 1.00 0.00 C ATOM 1766 OH TYR B 19 0.209 3.445 11.513 1.00 0.00 O ATOM 0 H TYR B 19 -7.175 3.369 8.062 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.765 4.468 10.349 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.248 2.309 9.012 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.619 3.367 7.764 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.192 4.402 11.259 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.408 2.264 8.032 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.025 4.477 12.409 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.242 2.330 9.186 1.00 0.00 H new ATOM 0 HH TYR B 19 0.442 2.545 11.824 1.00 0.00 H new ATOM 1776 N GLY B 20 -5.405 6.759 9.486 1.00 0.00 N ATOM 1777 CA GLY B 20 -5.038 8.084 9.022 1.00 0.00 C ATOM 1778 C GLY B 20 -6.235 8.889 8.555 1.00 0.00 C ATOM 1779 O GLY B 20 -6.453 9.049 7.354 1.00 0.00 O ATOM 0 H GLY B 20 -5.679 6.710 10.467 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.535 8.621 9.827 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.324 7.994 8.204 1.00 0.00 H new ATOM 1783 N ASN B 21 -7.011 9.397 9.507 1.00 0.00 N ATOM 1784 CA ASN B 21 -8.192 10.192 9.188 1.00 0.00 C ATOM 1785 C ASN B 21 -7.900 11.682 9.331 1.00 0.00 C ATOM 1786 O ASN B 21 -8.663 12.522 8.855 1.00 0.00 O ATOM 1787 CB ASN B 21 -9.358 9.798 10.098 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.165 10.274 11.524 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -8.232 9.857 12.210 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -10.052 11.153 11.979 1.00 0.00 N ATOM 0 H ASN B 21 -6.844 9.272 10.505 1.00 0.00 H new ATOM 0 HA ASN B 21 -8.465 9.992 8.152 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -10.283 10.216 9.700 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -9.470 8.714 10.092 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -9.975 11.509 12.932 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -10.810 11.472 11.375 1.00 0.00 H new ATOM 1797 N ILE B 22 -6.789 12.001 9.987 1.00 0.00 N ATOM 1798 CA ILE B 22 -6.394 13.390 10.194 1.00 0.00 C ATOM 1799 C ILE B 22 -5.163 13.739 9.362 1.00 0.00 C ATOM 1800 O ILE B 22 -5.057 14.904 8.921 1.00 0.00 O ATOM 1801 CB ILE B 22 -6.104 13.678 11.681 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -5.844 15.172 11.896 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -4.920 12.855 12.166 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -6.272 15.671 13.259 1.00 0.00 C ATOM 1805 OXT ILE B 22 -4.317 12.844 9.153 1.00 0.00 O ATOM 0 H ILE B 22 -6.146 11.316 10.385 1.00 0.00 H new ATOM 0 HA ILE B 22 -7.231 14.011 9.874 1.00 0.00 H new ATOM 0 HB ILE B 22 -6.980 13.392 12.263 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -4.780 15.370 11.763 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -6.372 15.738 11.129 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -4.732 13.073 13.217 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -5.142 11.794 12.049 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -4.037 13.107 11.579 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -6.058 16.737 13.340 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -7.342 15.505 13.388 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -5.725 15.131 14.032 1.00 0.00 H new TER 1817 ILE B 22