USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 0.609 K(o=1.3,f=-0.073) USER MOD Set 1.2: B 55 GLN : amide:sc= 0.686 K(o=1.3,f=0) USER MOD Set 2.1: B 47 TYR OH : rot 180:sc= -1.22 USER MOD Set 2.2: B 54 GLN : amide:sc=-0.00626 X(o=-1.2,f=-1.6) USER MOD Set 3.1: B 31 SER OG : rot 40:sc= 0.654 USER MOD Set 3.2: B 34 THR OG1 : rot 180:sc= 0.742 USER MOD Set 4.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 25 ASN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Set 5.1: B 16 SER OG : rot -10:sc= 1.21 USER MOD Set 5.2: B 19 THR OG1 : rot -130:sc= 0.632 USER MOD Set 6.1: A 31 SER OG : rot 5:sc= 0.706 USER MOD Set 6.2: A 34 THR OG1 : rot 180:sc= 0.755 USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 1.48 USER MOD Set 7.2: A 19 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 5 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 1.16 K(o=1.2,f=-0.051) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 28 SER OG : rot 52:sc= 0.0707 USER MOD Single : A 29 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0175) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -2.4! (180deg=-4.51!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.193 K(o=0.19,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= -0.769 K(o=-0.77,f=0) USER MOD Single : B 5 THR OG1 : rot -89:sc= 0.0933! USER MOD Single : B 7 TYR OH : rot -77:sc= 0.528 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.37) USER MOD Single : B 29 HIS : no HD1:sc= -0.794 X(o=-0.79,f=-0.53) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -168:sc= -0.0181 (180deg=-0.216) USER MOD Single : B 42 MET CE :methyl -127:sc=-0.00341 (180deg=-2.54!) USER MOD Single : B 46 ASN : amide:sc= 0.0457 X(o=0.046,f=0) USER MOD Single : B 50 ASN : amide:sc= -1.14! C(o=-1.1!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.948 -10.682 11.629 1.00 0.87 N ATOM 43 CA PRO A 3 5.803 -10.531 10.451 1.00 0.67 C ATOM 44 C PRO A 3 6.646 -9.264 10.527 1.00 0.57 C ATOM 45 O PRO A 3 6.116 -8.149 10.514 1.00 0.62 O ATOM 46 CB PRO A 3 4.812 -10.448 9.280 1.00 0.89 C ATOM 47 CG PRO A 3 3.504 -10.906 9.834 1.00 1.30 C ATOM 48 CD PRO A 3 3.527 -10.543 11.289 1.00 1.15 C ATOM 0 HA PRO A 3 6.513 -11.352 10.354 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.741 -9.430 8.897 1.00 0.89 H new ATOM 0 HB3 PRO A 3 5.130 -11.080 8.451 1.00 0.89 H new ATOM 0 HG2 PRO A 3 2.672 -10.422 9.323 1.00 1.30 H new ATOM 0 HG3 PRO A 3 3.378 -11.980 9.701 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.166 -9.529 11.460 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.901 -11.208 11.883 1.00 1.15 H new ATOM 56 N VAL A 4 7.955 -9.441 10.624 1.00 0.48 N ATOM 57 CA VAL A 4 8.873 -8.320 10.705 1.00 0.41 C ATOM 58 C VAL A 4 8.962 -7.619 9.363 1.00 0.36 C ATOM 59 O VAL A 4 8.944 -8.255 8.310 1.00 0.37 O ATOM 60 CB VAL A 4 10.273 -8.768 11.170 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.243 -7.597 11.220 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.179 -9.428 12.531 1.00 0.54 C ATOM 0 H VAL A 4 8.405 -10.356 10.648 1.00 0.48 H new ATOM 0 HA VAL A 4 8.485 -7.622 11.447 1.00 0.41 H new ATOM 0 HB VAL A 4 10.656 -9.487 10.446 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.220 -7.948 11.552 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.333 -7.157 10.227 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.871 -6.846 11.917 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.172 -9.742 12.853 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.771 -8.719 13.252 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.526 -10.298 12.469 1.00 0.54 H new ATOM 72 N THR A 5 9.054 -6.308 9.410 1.00 0.33 N ATOM 73 CA THR A 5 9.117 -5.503 8.219 1.00 0.31 C ATOM 74 C THR A 5 10.528 -4.969 8.026 1.00 0.26 C ATOM 75 O THR A 5 11.346 -5.006 8.949 1.00 0.26 O ATOM 76 CB THR A 5 8.116 -4.330 8.324 1.00 0.36 C ATOM 77 OG1 THR A 5 8.727 -3.221 8.995 1.00 0.37 O ATOM 78 CG2 THR A 5 6.879 -4.750 9.112 1.00 0.41 C ATOM 0 H THR A 5 9.087 -5.773 10.278 1.00 0.33 H new ATOM 0 HA THR A 5 8.853 -6.119 7.359 1.00 0.31 H new ATOM 0 HB THR A 5 7.826 -4.043 7.313 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.811 -3.423 9.950 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.186 -3.911 9.175 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.393 -5.585 8.608 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.173 -5.054 10.116 1.00 0.41 H new ATOM 86 N LEU A 6 10.815 -4.472 6.832 1.00 0.24 N ATOM 87 CA LEU A 6 12.133 -3.932 6.536 1.00 0.20 C ATOM 88 C LEU A 6 12.387 -2.665 7.344 1.00 0.21 C ATOM 89 O LEU A 6 13.520 -2.198 7.442 1.00 0.20 O ATOM 90 CB LEU A 6 12.299 -3.686 5.027 1.00 0.21 C ATOM 91 CG LEU A 6 11.716 -2.384 4.456 1.00 0.25 C ATOM 92 CD1 LEU A 6 11.908 -2.349 2.949 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.241 -2.233 4.792 1.00 0.29 C ATOM 0 H LEU A 6 10.155 -4.432 6.055 1.00 0.24 H new ATOM 0 HA LEU A 6 12.882 -4.668 6.830 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.364 -3.708 4.797 1.00 0.21 H new ATOM 0 HB3 LEU A 6 11.841 -4.521 4.497 1.00 0.21 H new ATOM 0 HG LEU A 6 12.249 -1.551 4.914 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.492 -1.423 2.551 1.00 0.29 H new ATOM 0 HD12 LEU A 6 12.972 -2.399 2.716 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.398 -3.200 2.497 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.866 -1.300 4.371 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.685 -3.071 4.372 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.114 -2.219 5.874 1.00 0.29 H new ATOM 105 N TYR A 7 11.325 -2.130 7.942 1.00 0.25 N ATOM 106 CA TYR A 7 11.432 -0.938 8.767 1.00 0.28 C ATOM 107 C TYR A 7 12.003 -1.305 10.121 1.00 0.28 C ATOM 108 O TYR A 7 12.802 -0.562 10.693 1.00 0.30 O ATOM 109 CB TYR A 7 10.067 -0.277 8.975 1.00 0.34 C ATOM 110 CG TYR A 7 9.407 0.225 7.718 1.00 0.36 C ATOM 111 CD1 TYR A 7 9.932 1.299 7.012 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.241 -0.363 7.253 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.307 1.769 5.871 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.611 0.102 6.121 1.00 0.44 C ATOM 115 CZ TYR A 7 8.146 1.167 5.433 1.00 0.44 C ATOM 116 OH TYR A 7 7.511 1.637 4.310 1.00 0.49 O ATOM 0 H TYR A 7 10.380 -2.507 7.868 1.00 0.25 H new ATOM 0 HA TYR A 7 12.087 -0.236 8.252 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.402 -0.994 9.456 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.186 0.559 9.664 1.00 0.34 H new ATOM 0 HD1 TYR A 7 10.839 1.773 7.358 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.819 -1.201 7.788 1.00 0.41 H new ATOM 0 HE1 TYR A 7 9.726 2.602 5.326 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.702 -0.366 5.775 1.00 0.44 H new ATOM 0 HH TYR A 7 6.709 1.100 4.139 1.00 0.49 H new ATOM 126 N ASP A 8 11.597 -2.469 10.623 1.00 0.28 N ATOM 127 CA ASP A 8 12.060 -2.944 11.924 1.00 0.29 C ATOM 128 C ASP A 8 13.541 -3.274 11.851 1.00 0.24 C ATOM 129 O ASP A 8 14.303 -2.999 12.776 1.00 0.25 O ATOM 130 CB ASP A 8 11.273 -4.184 12.363 1.00 0.35 C ATOM 131 CG ASP A 8 9.779 -3.950 12.401 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.275 -3.428 13.419 1.00 1.51 O ATOM 133 OD2 ASP A 8 9.100 -4.293 11.411 1.00 1.75 O ATOM 0 H ASP A 8 10.950 -3.099 10.150 1.00 0.28 H new ATOM 0 HA ASP A 8 11.897 -2.155 12.658 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.490 -5.006 11.681 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.613 -4.492 13.352 1.00 0.35 H new ATOM 138 N VAL A 9 13.939 -3.859 10.729 1.00 0.21 N ATOM 139 CA VAL A 9 15.326 -4.234 10.505 1.00 0.19 C ATOM 140 C VAL A 9 16.182 -2.990 10.342 1.00 0.18 C ATOM 141 O VAL A 9 17.271 -2.886 10.906 1.00 0.20 O ATOM 142 CB VAL A 9 15.467 -5.107 9.249 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.885 -5.635 9.124 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.472 -6.248 9.283 1.00 0.22 C ATOM 0 H VAL A 9 13.314 -4.085 9.955 1.00 0.21 H new ATOM 0 HA VAL A 9 15.661 -4.805 11.371 1.00 0.19 H new ATOM 0 HB VAL A 9 15.253 -4.492 8.375 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.966 -6.251 8.229 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.580 -4.798 9.053 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.128 -6.235 10.001 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.585 -6.857 8.386 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.654 -6.863 10.164 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.459 -5.847 9.323 1.00 0.22 H new ATOM 154 N ALA A 10 15.672 -2.045 9.567 1.00 0.19 N ATOM 155 CA ALA A 10 16.369 -0.792 9.326 1.00 0.22 C ATOM 156 C ALA A 10 16.572 -0.025 10.625 1.00 0.26 C ATOM 157 O ALA A 10 17.630 0.548 10.857 1.00 0.30 O ATOM 158 CB ALA A 10 15.597 0.050 8.326 1.00 0.26 C ATOM 0 H ALA A 10 14.773 -2.124 9.092 1.00 0.19 H new ATOM 0 HA ALA A 10 17.351 -1.018 8.912 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.127 0.986 8.152 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.505 -0.494 7.386 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.604 0.264 8.720 1.00 0.26 H new ATOM 164 N GLU A 11 15.559 -0.048 11.478 1.00 0.29 N ATOM 165 CA GLU A 11 15.618 0.646 12.756 1.00 0.35 C ATOM 166 C GLU A 11 16.592 -0.039 13.709 1.00 0.37 C ATOM 167 O GLU A 11 17.242 0.616 14.526 1.00 0.46 O ATOM 168 CB GLU A 11 14.224 0.710 13.380 1.00 0.37 C ATOM 169 CG GLU A 11 13.850 2.088 13.904 1.00 0.94 C ATOM 170 CD GLU A 11 13.991 3.171 12.850 1.00 1.51 C ATOM 171 OE1 GLU A 11 13.013 3.419 12.110 1.00 2.21 O ATOM 172 OE2 GLU A 11 15.077 3.780 12.760 1.00 2.14 O ATOM 0 H GLU A 11 14.683 -0.542 11.307 1.00 0.29 H new ATOM 0 HA GLU A 11 15.978 1.659 12.578 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.489 0.402 12.637 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.169 -0.007 14.199 1.00 0.37 H new ATOM 0 HG2 GLU A 11 12.822 2.069 14.265 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.483 2.332 14.757 1.00 0.94 H new ATOM 179 N TYR A 12 16.702 -1.357 13.592 1.00 0.32 N ATOM 180 CA TYR A 12 17.593 -2.124 14.450 1.00 0.38 C ATOM 181 C TYR A 12 19.042 -2.034 13.971 1.00 0.38 C ATOM 182 O TYR A 12 19.973 -1.989 14.775 1.00 0.45 O ATOM 183 CB TYR A 12 17.144 -3.584 14.498 1.00 0.39 C ATOM 184 CG TYR A 12 17.632 -4.329 15.717 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.850 -5.002 15.713 1.00 1.10 C ATOM 186 CD2 TYR A 12 16.871 -4.360 16.878 1.00 1.38 C ATOM 187 CE1 TYR A 12 19.290 -5.682 16.833 1.00 1.07 C ATOM 188 CE2 TYR A 12 17.305 -5.038 17.998 1.00 1.49 C ATOM 189 CZ TYR A 12 18.513 -5.695 17.972 1.00 0.69 C ATOM 190 OH TYR A 12 18.946 -6.365 19.092 1.00 0.82 O ATOM 0 H TYR A 12 16.186 -1.915 12.912 1.00 0.32 H new ATOM 0 HA TYR A 12 17.545 -1.699 15.453 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.055 -3.621 14.472 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.502 -4.094 13.604 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.460 -4.993 14.822 1.00 1.10 H new ATOM 0 HD2 TYR A 12 15.923 -3.844 16.905 1.00 1.38 H new ATOM 0 HE1 TYR A 12 20.237 -6.200 16.816 1.00 1.07 H new ATOM 0 HE2 TYR A 12 16.699 -5.053 18.892 1.00 1.49 H new ATOM 0 HH TYR A 12 18.281 -6.274 19.806 1.00 0.82 H new ATOM 200 N ALA A 13 19.227 -1.978 12.661 1.00 0.33 N ATOM 201 CA ALA A 13 20.561 -1.916 12.089 1.00 0.36 C ATOM 202 C ALA A 13 21.049 -0.477 11.993 1.00 0.39 C ATOM 203 O ALA A 13 22.224 -0.223 11.727 1.00 0.46 O ATOM 204 CB ALA A 13 20.583 -2.578 10.718 1.00 0.33 C ATOM 0 H ALA A 13 18.471 -1.974 11.976 1.00 0.33 H new ATOM 0 HA ALA A 13 21.237 -2.458 12.750 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.590 -2.523 10.303 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.287 -3.623 10.814 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.889 -2.063 10.054 1.00 0.33 H new ATOM 210 N GLY A 14 20.132 0.466 12.197 1.00 0.38 N ATOM 211 CA GLY A 14 20.480 1.874 12.133 1.00 0.43 C ATOM 212 C GLY A 14 20.641 2.338 10.703 1.00 0.43 C ATOM 213 O GLY A 14 21.427 3.240 10.409 1.00 0.52 O ATOM 0 H GLY A 14 19.151 0.278 12.406 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.706 2.464 12.624 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.407 2.046 12.680 1.00 0.43 H new ATOM 217 N VAL A 15 19.869 1.729 9.817 1.00 0.35 N ATOM 218 CA VAL A 15 19.920 2.036 8.402 1.00 0.35 C ATOM 219 C VAL A 15 18.544 2.433 7.900 1.00 0.34 C ATOM 220 O VAL A 15 17.642 2.705 8.689 1.00 0.36 O ATOM 221 CB VAL A 15 20.418 0.823 7.586 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.857 0.501 7.934 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.530 -0.393 7.815 1.00 0.28 C ATOM 0 H VAL A 15 19.190 1.008 10.062 1.00 0.35 H new ATOM 0 HA VAL A 15 20.617 2.864 8.270 1.00 0.35 H new ATOM 0 HB VAL A 15 20.366 1.085 6.529 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.190 -0.356 7.349 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.487 1.361 7.708 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.931 0.266 8.996 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.904 -1.232 7.228 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.540 -0.657 8.873 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.510 -0.162 7.508 1.00 0.28 H new ATOM 233 N SER A 16 18.391 2.462 6.590 1.00 0.35 N ATOM 234 CA SER A 16 17.122 2.802 5.983 1.00 0.35 C ATOM 235 C SER A 16 16.461 1.539 5.459 1.00 0.32 C ATOM 236 O SER A 16 17.142 0.549 5.183 1.00 0.32 O ATOM 237 CB SER A 16 17.334 3.796 4.845 1.00 0.40 C ATOM 238 OG SER A 16 17.813 3.147 3.677 1.00 1.26 O ATOM 0 H SER A 16 19.135 2.253 5.924 1.00 0.35 H new ATOM 0 HA SER A 16 16.476 3.264 6.730 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.395 4.304 4.623 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.045 4.562 5.156 1.00 0.40 H new ATOM 0 HG SER A 16 17.938 3.807 2.964 1.00 1.26 H new ATOM 244 N TYR A 17 15.139 1.558 5.343 1.00 0.32 N ATOM 245 CA TYR A 17 14.412 0.403 4.842 1.00 0.30 C ATOM 246 C TYR A 17 14.853 0.077 3.419 1.00 0.31 C ATOM 247 O TYR A 17 14.844 -1.083 3.002 1.00 0.30 O ATOM 248 CB TYR A 17 12.904 0.635 4.926 1.00 0.33 C ATOM 249 CG TYR A 17 12.378 1.787 4.106 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.400 3.083 4.601 1.00 1.14 C ATOM 251 CD2 TYR A 17 11.818 1.570 2.856 1.00 1.27 C ATOM 252 CE1 TYR A 17 11.878 4.131 3.876 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.303 2.614 2.117 1.00 1.32 C ATOM 254 CZ TYR A 17 11.331 3.890 2.632 1.00 0.54 C ATOM 255 OH TYR A 17 10.784 4.927 1.909 1.00 0.65 O ATOM 0 H TYR A 17 14.553 2.356 5.588 1.00 0.32 H new ATOM 0 HA TYR A 17 14.644 -0.458 5.469 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.396 -0.276 4.609 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.637 0.803 5.969 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.834 3.273 5.572 1.00 1.14 H new ATOM 0 HD2 TYR A 17 11.785 0.568 2.455 1.00 1.27 H new ATOM 0 HE1 TYR A 17 11.897 5.133 4.278 1.00 1.16 H new ATOM 0 HE2 TYR A 17 10.880 2.432 1.140 1.00 1.32 H new ATOM 0 HH TYR A 17 10.444 4.587 1.055 1.00 0.65 H new ATOM 265 N GLN A 18 15.256 1.107 2.679 1.00 0.35 N ATOM 266 CA GLN A 18 15.743 0.914 1.320 1.00 0.37 C ATOM 267 C GLN A 18 17.074 0.175 1.367 1.00 0.33 C ATOM 268 O GLN A 18 17.363 -0.660 0.510 1.00 0.34 O ATOM 269 CB GLN A 18 15.902 2.253 0.590 1.00 0.46 C ATOM 270 CG GLN A 18 16.771 2.182 -0.660 1.00 0.77 C ATOM 271 CD GLN A 18 16.117 1.450 -1.819 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.501 2.066 -2.677 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.251 0.132 -1.851 1.00 1.09 N ATOM 0 H GLN A 18 15.254 2.076 2.996 1.00 0.35 H new ATOM 0 HA GLN A 18 15.013 0.323 0.766 1.00 0.37 H new ATOM 0 HB2 GLN A 18 14.915 2.622 0.312 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.333 2.981 1.278 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.020 3.195 -0.976 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.709 1.686 -0.412 1.00 0.77 H new ATOM 0 HE21 GLN A 18 16.773 -0.346 -1.116 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.832 -0.405 -2.611 1.00 1.09 H new ATOM 282 N THR A 19 17.883 0.489 2.376 1.00 0.33 N ATOM 283 CA THR A 19 19.168 -0.171 2.552 1.00 0.34 C ATOM 284 C THR A 19 18.937 -1.642 2.831 1.00 0.29 C ATOM 285 O THR A 19 19.644 -2.506 2.318 1.00 0.31 O ATOM 286 CB THR A 19 19.972 0.461 3.696 1.00 0.39 C ATOM 287 OG1 THR A 19 20.169 1.849 3.419 1.00 0.49 O ATOM 288 CG2 THR A 19 21.316 -0.229 3.859 1.00 0.45 C ATOM 0 H THR A 19 17.670 1.195 3.081 1.00 0.33 H new ATOM 0 HA THR A 19 19.747 -0.051 1.636 1.00 0.34 H new ATOM 0 HB THR A 19 19.415 0.343 4.626 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.305 2.311 3.431 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.867 0.237 4.676 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.159 -1.284 4.083 1.00 0.45 H new ATOM 0 HG23 THR A 19 21.888 -0.135 2.936 1.00 0.45 H new ATOM 296 N VAL A 20 17.925 -1.911 3.649 1.00 0.25 N ATOM 297 CA VAL A 20 17.548 -3.273 3.970 1.00 0.21 C ATOM 298 C VAL A 20 17.172 -4.010 2.690 1.00 0.20 C ATOM 299 O VAL A 20 17.659 -5.107 2.433 1.00 0.24 O ATOM 300 CB VAL A 20 16.367 -3.306 4.958 1.00 0.21 C ATOM 301 CG1 VAL A 20 15.835 -4.723 5.127 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.783 -2.732 6.297 1.00 0.24 C ATOM 0 H VAL A 20 17.353 -1.198 4.101 1.00 0.25 H new ATOM 0 HA VAL A 20 18.398 -3.764 4.444 1.00 0.21 H new ATOM 0 HB VAL A 20 15.565 -2.692 4.549 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.002 -4.717 5.830 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.494 -5.101 4.163 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.628 -5.366 5.509 1.00 0.23 H new ATOM 0 HG21 VAL A 20 15.938 -2.762 6.984 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.604 -3.321 6.706 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.107 -1.700 6.165 1.00 0.24 H new ATOM 312 N SER A 21 16.322 -3.379 1.884 1.00 0.22 N ATOM 313 CA SER A 21 15.888 -3.953 0.613 1.00 0.25 C ATOM 314 C SER A 21 17.084 -4.141 -0.314 1.00 0.27 C ATOM 315 O SER A 21 17.161 -5.117 -1.056 1.00 0.32 O ATOM 316 CB SER A 21 14.835 -3.049 -0.042 1.00 0.32 C ATOM 317 OG SER A 21 14.443 -3.536 -1.316 1.00 0.87 O ATOM 0 H SER A 21 15.918 -2.465 2.090 1.00 0.22 H new ATOM 0 HA SER A 21 15.439 -4.928 0.800 1.00 0.25 H new ATOM 0 HB2 SER A 21 13.961 -2.980 0.606 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.235 -2.040 -0.146 1.00 0.32 H new ATOM 0 HG SER A 21 13.771 -2.937 -1.703 1.00 0.87 H new ATOM 323 N ARG A 22 18.027 -3.211 -0.231 1.00 0.30 N ATOM 324 CA ARG A 22 19.235 -3.256 -1.046 1.00 0.40 C ATOM 325 C ARG A 22 20.049 -4.503 -0.708 1.00 0.39 C ATOM 326 O ARG A 22 20.648 -5.127 -1.583 1.00 0.58 O ATOM 327 CB ARG A 22 20.072 -1.997 -0.796 1.00 0.51 C ATOM 328 CG ARG A 22 20.857 -1.519 -2.005 1.00 0.82 C ATOM 329 CD ARG A 22 19.979 -0.755 -2.986 1.00 0.75 C ATOM 330 NE ARG A 22 19.787 0.641 -2.590 1.00 0.73 N ATOM 331 CZ ARG A 22 19.185 1.549 -3.356 1.00 1.18 C ATOM 332 NH1 ARG A 22 18.682 1.201 -4.531 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.078 2.806 -2.951 1.00 1.28 N ATOM 0 H ARG A 22 17.977 -2.410 0.398 1.00 0.30 H new ATOM 0 HA ARG A 22 18.955 -3.296 -2.099 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.411 -1.195 -0.466 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.768 -2.193 0.020 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.676 -0.879 -1.676 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.304 -2.376 -2.509 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.430 -0.790 -3.977 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.009 -1.246 -3.060 1.00 0.75 H new ATOM 0 HE ARG A 22 20.133 0.935 -1.677 1.00 0.73 H new ATOM 0 HH11 ARG A 22 18.755 0.235 -4.851 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.221 1.899 -5.115 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.458 3.084 -2.046 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.615 3.495 -3.544 1.00 1.28 H new ATOM 347 N VAL A 23 20.035 -4.869 0.570 1.00 0.29 N ATOM 348 CA VAL A 23 20.764 -6.032 1.062 1.00 0.33 C ATOM 349 C VAL A 23 19.991 -7.318 0.793 1.00 0.34 C ATOM 350 O VAL A 23 20.552 -8.311 0.330 1.00 0.43 O ATOM 351 CB VAL A 23 21.027 -5.917 2.580 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.709 -7.168 3.111 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.852 -4.679 2.889 1.00 0.33 C ATOM 0 H VAL A 23 19.518 -4.368 1.293 1.00 0.29 H new ATOM 0 HA VAL A 23 21.715 -6.064 0.530 1.00 0.33 H new ATOM 0 HB VAL A 23 20.065 -5.820 3.084 1.00 0.34 H new ATOM 0 HG11 VAL A 23 21.883 -7.061 4.182 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.072 -8.034 2.931 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.662 -7.307 2.601 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.026 -4.617 3.963 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.808 -4.740 2.369 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.314 -3.791 2.556 1.00 0.33 H new ATOM 363 N VAL A 24 18.702 -7.295 1.097 1.00 0.29 N ATOM 364 CA VAL A 24 17.843 -8.454 0.893 1.00 0.32 C ATOM 365 C VAL A 24 17.744 -8.821 -0.594 1.00 0.34 C ATOM 366 O VAL A 24 17.812 -9.999 -0.954 1.00 0.41 O ATOM 367 CB VAL A 24 16.430 -8.216 1.474 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.549 -9.437 1.280 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.518 -7.864 2.949 1.00 0.35 C ATOM 0 H VAL A 24 18.225 -6.483 1.488 1.00 0.29 H new ATOM 0 HA VAL A 24 18.300 -9.288 1.425 1.00 0.32 H new ATOM 0 HB VAL A 24 15.980 -7.381 0.937 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.561 -9.243 1.698 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.457 -9.654 0.216 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.996 -10.292 1.787 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.516 -7.699 3.344 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.992 -8.683 3.491 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.110 -6.957 3.072 1.00 0.35 H new ATOM 379 N ASN A 25 17.602 -7.812 -1.454 1.00 0.33 N ATOM 380 CA ASN A 25 17.494 -8.040 -2.899 1.00 0.42 C ATOM 381 C ASN A 25 18.859 -8.363 -3.508 1.00 0.76 C ATOM 382 O ASN A 25 18.949 -8.998 -4.564 1.00 0.94 O ATOM 383 CB ASN A 25 16.890 -6.816 -3.597 1.00 0.83 C ATOM 384 CG ASN A 25 15.367 -6.785 -3.532 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.713 -6.192 -4.391 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.790 -7.429 -2.524 1.00 1.15 N ATOM 0 H ASN A 25 17.559 -6.831 -1.178 1.00 0.33 H new ATOM 0 HA ASN A 25 16.835 -8.895 -3.050 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.286 -5.910 -3.138 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.204 -6.808 -4.641 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.773 -7.443 -2.443 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.364 -7.909 -1.831 1.00 1.15 H new ATOM 393 N GLN A 26 19.915 -7.919 -2.818 1.00 1.08 N ATOM 394 CA GLN A 26 21.295 -8.140 -3.249 1.00 1.58 C ATOM 395 C GLN A 26 21.525 -7.521 -4.623 1.00 1.10 C ATOM 396 O GLN A 26 22.103 -8.141 -5.518 1.00 1.64 O ATOM 397 CB GLN A 26 21.620 -9.639 -3.268 1.00 2.64 C ATOM 398 CG GLN A 26 21.327 -10.337 -1.948 1.00 3.42 C ATOM 399 CD GLN A 26 21.494 -11.843 -2.022 1.00 4.28 C ATOM 400 OE1 GLN A 26 22.306 -12.351 -2.797 1.00 4.88 O ATOM 401 NE2 GLN A 26 20.732 -12.564 -1.210 1.00 4.73 N ATOM 0 H GLN A 26 19.835 -7.397 -1.946 1.00 1.08 H new ATOM 0 HA GLN A 26 21.963 -7.657 -2.537 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.044 -10.118 -4.060 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.673 -9.772 -3.515 1.00 2.64 H new ATOM 0 HG2 GLN A 26 21.991 -9.941 -1.179 1.00 3.42 H new ATOM 0 HG3 GLN A 26 20.308 -10.105 -1.639 1.00 3.42 H new ATOM 0 HE21 GLN A 26 20.073 -12.101 -0.584 1.00 4.73 H new ATOM 0 HE22 GLN A 26 20.805 -13.581 -1.211 1.00 4.73 H new ATOM 410 N ALA A 27 21.064 -6.286 -4.775 1.00 0.83 N ATOM 411 CA ALA A 27 21.197 -5.565 -6.032 1.00 1.50 C ATOM 412 C ALA A 27 22.451 -4.691 -6.035 1.00 1.34 C ATOM 413 O ALA A 27 23.501 -5.095 -5.535 1.00 2.01 O ATOM 414 CB ALA A 27 19.953 -4.723 -6.284 1.00 2.27 C ATOM 0 H ALA A 27 20.592 -5.761 -4.038 1.00 0.83 H new ATOM 0 HA ALA A 27 21.298 -6.293 -6.837 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.061 -4.187 -7.227 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.079 -5.372 -6.334 1.00 2.27 H new ATOM 0 HB3 ALA A 27 19.828 -4.007 -5.472 1.00 2.27 H new ATOM 420 N SER A 28 22.343 -3.507 -6.615 1.00 1.04 N ATOM 421 CA SER A 28 23.454 -2.573 -6.672 1.00 0.84 C ATOM 422 C SER A 28 23.382 -1.609 -5.490 1.00 0.71 C ATOM 423 O SER A 28 22.423 -1.648 -4.725 1.00 0.73 O ATOM 424 CB SER A 28 23.411 -1.808 -7.992 1.00 0.91 C ATOM 425 OG SER A 28 22.076 -1.687 -8.462 1.00 1.52 O ATOM 0 H SER A 28 21.488 -3.168 -7.057 1.00 1.04 H new ATOM 0 HA SER A 28 24.394 -3.121 -6.614 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.845 -0.817 -7.858 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.018 -2.324 -8.736 1.00 0.91 H new ATOM 0 HG SER A 28 21.510 -1.322 -7.750 1.00 1.52 H new ATOM 431 N HIS A 29 24.384 -0.731 -5.360 1.00 0.61 N ATOM 432 CA HIS A 29 24.450 0.244 -4.273 1.00 0.53 C ATOM 433 C HIS A 29 24.479 -0.420 -2.896 1.00 0.59 C ATOM 434 O HIS A 29 23.948 0.133 -1.931 1.00 0.76 O ATOM 435 CB HIS A 29 23.282 1.231 -4.280 1.00 0.50 C ATOM 436 CG HIS A 29 22.706 1.632 -5.609 1.00 0.50 C ATOM 437 ND1 HIS A 29 21.523 2.323 -5.697 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.165 1.516 -6.881 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.280 2.624 -6.949 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.258 2.148 -7.699 1.00 0.63 N ATOM 0 H HIS A 29 25.170 -0.679 -6.007 1.00 0.61 H new ATOM 0 HA HIS A 29 25.381 0.781 -4.453 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.478 0.801 -3.683 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.608 2.138 -3.770 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.073 1.020 -7.192 1.00 0.64 H new ATOM 0 HE1 HIS A 29 20.421 3.171 -7.309 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.328 2.235 -8.713 1.00 0.63 H new ATOM 449 N VAL A 30 25.092 -1.586 -2.788 1.00 0.66 N ATOM 450 CA VAL A 30 25.155 -2.272 -1.505 1.00 0.76 C ATOM 451 C VAL A 30 26.587 -2.449 -1.047 1.00 0.72 C ATOM 452 O VAL A 30 27.403 -3.032 -1.754 1.00 0.78 O ATOM 453 CB VAL A 30 24.489 -3.660 -1.526 1.00 0.94 C ATOM 454 CG1 VAL A 30 23.864 -3.953 -0.172 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.456 -3.763 -2.627 1.00 1.16 C ATOM 0 H VAL A 30 25.548 -2.073 -3.559 1.00 0.66 H new ATOM 0 HA VAL A 30 24.606 -1.633 -0.814 1.00 0.76 H new ATOM 0 HB VAL A 30 25.258 -4.405 -1.732 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.394 -4.936 -0.193 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.637 -3.936 0.597 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.112 -3.197 0.053 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.006 -4.756 -2.612 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.682 -3.012 -2.471 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.935 -3.596 -3.592 1.00 1.16 H new ATOM 465 N SER A 31 26.886 -1.938 0.134 1.00 0.71 N ATOM 466 CA SER A 31 28.222 -2.076 0.696 1.00 0.76 C ATOM 467 C SER A 31 28.227 -3.180 1.747 1.00 0.83 C ATOM 468 O SER A 31 27.198 -3.448 2.372 1.00 1.30 O ATOM 469 CB SER A 31 28.694 -0.752 1.300 1.00 0.75 C ATOM 470 OG SER A 31 27.810 -0.309 2.307 1.00 0.74 O ATOM 0 H SER A 31 26.228 -1.426 0.721 1.00 0.71 H new ATOM 0 HA SER A 31 28.914 -2.346 -0.102 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.693 -0.875 1.717 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.766 0.003 0.517 1.00 0.75 H new ATOM 0 HG SER A 31 27.116 -0.985 2.454 1.00 0.74 H new ATOM 476 N ALA A 32 29.372 -3.821 1.937 1.00 0.86 N ATOM 477 CA ALA A 32 29.485 -4.907 2.905 1.00 0.86 C ATOM 478 C ALA A 32 29.167 -4.442 4.323 1.00 0.75 C ATOM 479 O ALA A 32 28.559 -5.178 5.100 1.00 0.69 O ATOM 480 CB ALA A 32 30.871 -5.521 2.856 1.00 1.06 C ATOM 0 H ALA A 32 30.235 -3.610 1.436 1.00 0.86 H new ATOM 0 HA ALA A 32 28.749 -5.662 2.631 1.00 0.86 H new ATOM 0 HB1 ALA A 32 30.937 -6.329 3.585 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.059 -5.916 1.858 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.615 -4.760 3.091 1.00 1.06 H new ATOM 486 N LYS A 33 29.563 -3.212 4.640 1.00 0.80 N ATOM 487 CA LYS A 33 29.336 -2.634 5.969 1.00 0.78 C ATOM 488 C LYS A 33 27.868 -2.708 6.360 1.00 0.67 C ATOM 489 O LYS A 33 27.524 -3.155 7.455 1.00 0.69 O ATOM 490 CB LYS A 33 29.795 -1.180 5.999 1.00 0.94 C ATOM 491 CG LYS A 33 31.213 -0.979 5.504 1.00 1.53 C ATOM 492 CD LYS A 33 32.239 -1.558 6.468 1.00 1.99 C ATOM 493 CE LYS A 33 33.645 -1.496 5.894 1.00 2.99 C ATOM 494 NZ LYS A 33 34.116 -0.097 5.680 1.00 3.39 N ATOM 0 H LYS A 33 30.046 -2.590 3.992 1.00 0.80 H new ATOM 0 HA LYS A 33 29.916 -3.216 6.685 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.118 -0.582 5.389 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.719 -0.805 7.020 1.00 0.94 H new ATOM 0 HG2 LYS A 33 31.327 -1.450 4.527 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.403 0.086 5.369 1.00 1.53 H new ATOM 0 HD2 LYS A 33 32.205 -1.009 7.409 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.983 -2.593 6.694 1.00 1.99 H new ATOM 0 HE2 LYS A 33 34.332 -2.007 6.569 1.00 2.99 H new ATOM 0 HE3 LYS A 33 33.670 -2.033 4.946 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 35.097 -0.110 5.336 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 33.508 0.370 4.977 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 34.071 0.426 6.578 1.00 3.39 H new ATOM 508 N THR A 34 27.006 -2.277 5.456 1.00 0.61 N ATOM 509 CA THR A 34 25.578 -2.292 5.714 1.00 0.54 C ATOM 510 C THR A 34 24.987 -3.685 5.525 1.00 0.51 C ATOM 511 O THR A 34 24.097 -4.093 6.264 1.00 0.49 O ATOM 512 CB THR A 34 24.830 -1.307 4.801 1.00 0.53 C ATOM 513 OG1 THR A 34 25.651 -0.962 3.679 1.00 0.65 O ATOM 514 CG2 THR A 34 24.450 -0.050 5.563 1.00 0.56 C ATOM 0 H THR A 34 27.269 -1.914 4.540 1.00 0.61 H new ATOM 0 HA THR A 34 25.451 -1.988 6.753 1.00 0.54 H new ATOM 0 HB THR A 34 23.918 -1.789 4.449 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.168 -0.335 3.101 1.00 0.65 H new ATOM 0 HG21 THR A 34 23.922 0.633 4.898 1.00 0.56 H new ATOM 0 HG22 THR A 34 23.804 -0.313 6.400 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.351 0.434 5.939 1.00 0.56 H new ATOM 522 N ARG A 35 25.500 -4.418 4.548 1.00 0.51 N ATOM 523 CA ARG A 35 25.006 -5.758 4.253 1.00 0.51 C ATOM 524 C ARG A 35 25.046 -6.662 5.482 1.00 0.52 C ATOM 525 O ARG A 35 24.052 -7.300 5.829 1.00 0.52 O ATOM 526 CB ARG A 35 25.832 -6.384 3.128 1.00 0.53 C ATOM 527 CG ARG A 35 25.240 -7.664 2.570 1.00 0.70 C ATOM 528 CD ARG A 35 26.145 -8.265 1.513 1.00 0.79 C ATOM 529 NE ARG A 35 25.517 -9.379 0.811 1.00 1.64 N ATOM 530 CZ ARG A 35 25.666 -9.607 -0.489 1.00 2.19 C ATOM 531 NH1 ARG A 35 26.420 -8.801 -1.229 1.00 2.09 N ATOM 532 NH2 ARG A 35 25.063 -10.646 -1.047 1.00 3.31 N ATOM 0 H ARG A 35 26.261 -4.108 3.943 1.00 0.51 H new ATOM 0 HA ARG A 35 23.966 -5.663 3.940 1.00 0.51 H new ATOM 0 HB2 ARG A 35 25.934 -5.660 2.320 1.00 0.53 H new ATOM 0 HB3 ARG A 35 26.836 -6.591 3.499 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.090 -8.382 3.377 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.260 -7.458 2.140 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.420 -7.494 0.793 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.068 -8.608 1.981 1.00 0.79 H new ATOM 0 HE ARG A 35 24.931 -10.018 1.348 1.00 1.64 H new ATOM 0 HH11 ARG A 35 26.888 -8.003 -0.799 1.00 2.09 H new ATOM 0 HH12 ARG A 35 26.531 -8.980 -2.227 1.00 2.09 H new ATOM 0 HH21 ARG A 35 24.487 -11.267 -0.479 1.00 3.31 H new ATOM 0 HH22 ARG A 35 25.175 -10.825 -2.045 1.00 3.31 H new ATOM 546 N GLU A 36 26.184 -6.683 6.154 1.00 0.56 N ATOM 547 CA GLU A 36 26.367 -7.536 7.318 1.00 0.58 C ATOM 548 C GLU A 36 25.565 -7.073 8.530 1.00 0.54 C ATOM 549 O GLU A 36 25.143 -7.896 9.340 1.00 0.61 O ATOM 550 CB GLU A 36 27.843 -7.621 7.677 1.00 0.67 C ATOM 551 CG GLU A 36 28.700 -8.079 6.516 1.00 0.70 C ATOM 552 CD GLU A 36 29.934 -8.836 6.961 1.00 0.85 C ATOM 553 OE1 GLU A 36 30.913 -8.192 7.387 1.00 1.39 O ATOM 554 OE2 GLU A 36 29.926 -10.085 6.890 1.00 1.45 O ATOM 0 H GLU A 36 26.998 -6.118 5.913 1.00 0.56 H new ATOM 0 HA GLU A 36 25.990 -8.522 7.046 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.188 -6.644 8.015 1.00 0.67 H new ATOM 0 HB3 GLU A 36 27.971 -8.310 8.512 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.106 -8.715 5.860 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.003 -7.212 5.930 1.00 0.70 H new ATOM 561 N LYS A 37 25.331 -5.772 8.654 1.00 0.49 N ATOM 562 CA LYS A 37 24.589 -5.266 9.802 1.00 0.47 C ATOM 563 C LYS A 37 23.091 -5.470 9.610 1.00 0.39 C ATOM 564 O LYS A 37 22.345 -5.622 10.576 1.00 0.38 O ATOM 565 CB LYS A 37 24.914 -3.791 10.075 1.00 0.52 C ATOM 566 CG LYS A 37 24.387 -2.819 9.036 1.00 0.86 C ATOM 567 CD LYS A 37 24.456 -1.380 9.528 1.00 0.84 C ATOM 568 CE LYS A 37 25.879 -0.971 9.887 1.00 0.73 C ATOM 569 NZ LYS A 37 25.928 0.366 10.540 1.00 0.98 N ATOM 0 H LYS A 37 25.637 -5.061 7.989 1.00 0.49 H new ATOM 0 HA LYS A 37 24.901 -5.837 10.677 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.505 -3.518 11.048 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.996 -3.678 10.141 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.966 -2.918 8.118 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.355 -3.071 8.791 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.070 -0.714 8.757 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.813 -1.263 10.401 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.313 -1.716 10.554 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.490 -0.956 8.985 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 26.914 0.605 10.767 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.538 1.082 9.895 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.366 0.346 11.415 1.00 0.98 H new ATOM 583 N VAL A 38 22.660 -5.497 8.359 1.00 0.36 N ATOM 584 CA VAL A 38 21.250 -5.695 8.048 1.00 0.31 C ATOM 585 C VAL A 38 20.900 -7.177 8.125 1.00 0.32 C ATOM 586 O VAL A 38 19.857 -7.550 8.667 1.00 0.31 O ATOM 587 CB VAL A 38 20.894 -5.146 6.653 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.441 -5.434 6.313 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.181 -3.653 6.581 1.00 0.30 C ATOM 0 H VAL A 38 23.263 -5.385 7.544 1.00 0.36 H new ATOM 0 HA VAL A 38 20.667 -5.143 8.786 1.00 0.31 H new ATOM 0 HB VAL A 38 21.518 -5.652 5.916 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.213 -5.037 5.324 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.272 -6.511 6.320 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.794 -4.961 7.052 1.00 0.26 H new ATOM 0 HG21 VAL A 38 20.924 -3.281 5.589 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.585 -3.131 7.330 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.239 -3.476 6.772 1.00 0.30 H new ATOM 599 N GLU A 39 21.794 -8.020 7.611 1.00 0.36 N ATOM 600 CA GLU A 39 21.587 -9.466 7.631 1.00 0.39 C ATOM 601 C GLU A 39 21.578 -9.972 9.067 1.00 0.41 C ATOM 602 O GLU A 39 20.956 -10.988 9.381 1.00 0.43 O ATOM 603 CB GLU A 39 22.676 -10.186 6.830 1.00 0.44 C ATOM 604 CG GLU A 39 22.592 -9.944 5.333 1.00 0.55 C ATOM 605 CD GLU A 39 21.811 -11.019 4.603 1.00 0.82 C ATOM 606 OE1 GLU A 39 22.429 -12.015 4.175 1.00 1.44 O ATOM 607 OE2 GLU A 39 20.582 -10.870 4.439 1.00 1.59 O ATOM 0 H GLU A 39 22.668 -7.726 7.176 1.00 0.36 H new ATOM 0 HA GLU A 39 20.623 -9.679 7.168 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.653 -9.861 7.188 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.607 -11.257 7.021 1.00 0.44 H new ATOM 0 HG2 GLU A 39 22.124 -8.976 5.152 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.600 -9.892 4.922 1.00 0.55 H new ATOM 614 N ALA A 40 22.267 -9.243 9.936 1.00 0.43 N ATOM 615 CA ALA A 40 22.336 -9.595 11.341 1.00 0.46 C ATOM 616 C ALA A 40 21.114 -9.077 12.090 1.00 0.41 C ATOM 617 O ALA A 40 20.537 -9.783 12.914 1.00 0.43 O ATOM 618 CB ALA A 40 23.614 -9.045 11.950 1.00 0.52 C ATOM 0 H ALA A 40 22.787 -8.401 9.687 1.00 0.43 H new ATOM 0 HA ALA A 40 22.345 -10.681 11.429 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.659 -9.313 13.006 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.475 -9.467 11.431 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.627 -7.960 11.851 1.00 0.52 H new ATOM 624 N ALA A 41 20.703 -7.848 11.779 1.00 0.37 N ATOM 625 CA ALA A 41 19.545 -7.244 12.434 1.00 0.34 C ATOM 626 C ALA A 41 18.265 -8.007 12.106 1.00 0.31 C ATOM 627 O ALA A 41 17.398 -8.184 12.963 1.00 0.34 O ATOM 628 CB ALA A 41 19.412 -5.781 12.038 1.00 0.31 C ATOM 0 H ALA A 41 21.152 -7.255 11.082 1.00 0.37 H new ATOM 0 HA ALA A 41 19.701 -7.300 13.511 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.544 -5.347 12.535 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.310 -5.240 12.337 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.286 -5.706 10.958 1.00 0.31 H new ATOM 634 N MET A 42 18.164 -8.484 10.868 1.00 0.28 N ATOM 635 CA MET A 42 16.991 -9.231 10.431 1.00 0.29 C ATOM 636 C MET A 42 16.976 -10.624 11.061 1.00 0.35 C ATOM 637 O MET A 42 15.985 -11.343 10.971 1.00 0.39 O ATOM 638 CB MET A 42 16.946 -9.335 8.901 1.00 0.27 C ATOM 639 CG MET A 42 18.020 -10.217 8.306 1.00 0.33 C ATOM 640 SD MET A 42 17.805 -10.461 6.532 1.00 0.35 S ATOM 641 CE MET A 42 18.252 -8.841 5.912 1.00 0.33 C ATOM 0 H MET A 42 18.880 -8.366 10.151 1.00 0.28 H new ATOM 0 HA MET A 42 16.104 -8.691 10.762 1.00 0.29 H new ATOM 0 HB2 MET A 42 15.970 -9.719 8.603 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.038 -8.335 8.478 1.00 0.27 H new ATOM 0 HG2 MET A 42 18.997 -9.771 8.493 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.010 -11.185 8.807 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.809 -8.949 4.981 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.348 -8.259 5.729 1.00 0.33 H new ATOM 0 HE3 MET A 42 18.871 -8.328 6.648 1.00 0.33 H new ATOM 651 N ALA A 43 18.071 -10.994 11.714 1.00 0.40 N ATOM 652 CA ALA A 43 18.166 -12.293 12.361 1.00 0.47 C ATOM 653 C ALA A 43 17.754 -12.177 13.820 1.00 0.48 C ATOM 654 O ALA A 43 17.396 -13.163 14.466 1.00 0.53 O ATOM 655 CB ALA A 43 19.579 -12.841 12.244 1.00 0.52 C ATOM 0 H ALA A 43 18.904 -10.412 11.808 1.00 0.40 H new ATOM 0 HA ALA A 43 17.490 -12.987 11.862 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.634 -13.814 12.733 1.00 0.52 H new ATOM 0 HB2 ALA A 43 19.841 -12.949 11.192 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.276 -12.154 12.723 1.00 0.52 H new ATOM 661 N GLU A 44 17.809 -10.955 14.329 1.00 0.46 N ATOM 662 CA GLU A 44 17.440 -10.668 15.708 1.00 0.46 C ATOM 663 C GLU A 44 15.935 -10.668 15.872 1.00 0.45 C ATOM 664 O GLU A 44 15.374 -11.406 16.682 1.00 0.48 O ATOM 665 CB GLU A 44 17.981 -9.305 16.116 1.00 0.45 C ATOM 666 CG GLU A 44 19.486 -9.214 16.030 1.00 0.51 C ATOM 667 CD GLU A 44 20.177 -10.204 16.944 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.382 -9.878 18.131 1.00 1.21 O ATOM 669 OE2 GLU A 44 20.509 -11.315 16.481 1.00 1.36 O ATOM 0 H GLU A 44 18.110 -10.136 13.800 1.00 0.46 H new ATOM 0 HA GLU A 44 17.868 -11.444 16.342 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.540 -8.540 15.477 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.668 -9.087 17.137 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.800 -9.393 15.002 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.802 -8.203 16.289 1.00 0.51 H new ATOM 676 N LEU A 45 15.294 -9.833 15.076 1.00 0.42 N ATOM 677 CA LEU A 45 13.846 -9.684 15.103 1.00 0.44 C ATOM 678 C LEU A 45 13.165 -10.805 14.325 1.00 0.48 C ATOM 679 O LEU A 45 11.948 -10.985 14.409 1.00 0.52 O ATOM 680 CB LEU A 45 13.471 -8.325 14.510 1.00 0.49 C ATOM 681 CG LEU A 45 14.456 -7.195 14.829 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.589 -6.251 13.644 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.015 -6.436 16.072 1.00 1.88 C ATOM 0 H LEU A 45 15.760 -9.238 14.391 1.00 0.42 H new ATOM 0 HA LEU A 45 13.504 -9.742 16.137 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.392 -8.425 13.428 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.484 -8.043 14.877 1.00 0.49 H new ATOM 0 HG LEU A 45 15.433 -7.637 15.026 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.292 -5.455 13.890 1.00 0.39 H new ATOM 0 HD12 LEU A 45 14.954 -6.803 12.778 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.616 -5.817 13.414 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.727 -5.638 16.283 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.027 -6.007 15.905 1.00 1.88 H new ATOM 0 HD23 LEU A 45 13.975 -7.119 16.920 1.00 1.88 H new ATOM 695 N ASN A 46 13.973 -11.561 13.583 1.00 0.49 N ATOM 696 CA ASN A 46 13.487 -12.664 12.753 1.00 0.54 C ATOM 697 C ASN A 46 12.633 -12.107 11.623 1.00 0.51 C ATOM 698 O ASN A 46 11.430 -12.354 11.540 1.00 0.60 O ATOM 699 CB ASN A 46 12.708 -13.696 13.581 1.00 0.62 C ATOM 700 CG ASN A 46 13.630 -14.585 14.396 1.00 1.22 C ATOM 701 OD1 ASN A 46 13.978 -14.271 15.536 1.00 2.01 O ATOM 702 ND2 ASN A 46 14.040 -15.698 13.813 1.00 1.90 N ATOM 0 H ASN A 46 14.983 -11.427 13.540 1.00 0.49 H new ATOM 0 HA ASN A 46 14.345 -13.185 12.329 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.019 -13.179 14.249 1.00 0.62 H new ATOM 0 HB3 ASN A 46 12.104 -14.313 12.916 1.00 0.62 H new ATOM 0 HD21 ASN A 46 14.667 -16.332 14.308 1.00 1.90 H new ATOM 0 HD22 ASN A 46 13.730 -15.923 12.868 1.00 1.90 H new ATOM 709 N TYR A 47 13.285 -11.347 10.757 1.00 0.42 N ATOM 710 CA TYR A 47 12.641 -10.702 9.627 1.00 0.39 C ATOM 711 C TYR A 47 12.357 -11.700 8.514 1.00 0.49 C ATOM 712 O TYR A 47 13.241 -12.450 8.094 1.00 0.58 O ATOM 713 CB TYR A 47 13.548 -9.583 9.124 1.00 0.27 C ATOM 714 CG TYR A 47 13.184 -9.025 7.765 1.00 0.25 C ATOM 715 CD1 TYR A 47 11.910 -8.546 7.497 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.136 -8.960 6.756 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.592 -8.017 6.263 1.00 1.16 C ATOM 718 CE2 TYR A 47 13.824 -8.435 5.517 1.00 1.08 C ATOM 719 CZ TYR A 47 12.551 -7.965 5.277 1.00 0.23 C ATOM 720 OH TYR A 47 12.237 -7.428 4.053 1.00 0.24 O ATOM 0 H TYR A 47 14.286 -11.160 10.821 1.00 0.42 H new ATOM 0 HA TYR A 47 11.683 -10.290 9.945 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.533 -8.770 9.850 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.572 -9.956 9.084 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.154 -8.588 8.267 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.135 -9.325 6.943 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.596 -7.646 6.072 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.574 -8.393 4.741 1.00 1.08 H new ATOM 0 HH TYR A 47 13.023 -7.464 3.469 1.00 0.24 H new ATOM 730 N ILE A 48 11.120 -11.701 8.045 1.00 0.56 N ATOM 731 CA ILE A 48 10.710 -12.589 6.971 1.00 0.66 C ATOM 732 C ILE A 48 10.365 -11.776 5.726 1.00 0.52 C ATOM 733 O ILE A 48 9.373 -11.046 5.712 1.00 0.55 O ATOM 734 CB ILE A 48 9.486 -13.448 7.367 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.636 -14.005 8.785 1.00 1.16 C ATOM 736 CG2 ILE A 48 9.292 -14.586 6.383 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.866 -13.214 9.816 1.00 1.01 C ATOM 0 H ILE A 48 10.379 -11.093 8.394 1.00 0.56 H new ATOM 0 HA ILE A 48 11.546 -13.258 6.767 1.00 0.66 H new ATOM 0 HB ILE A 48 8.607 -12.803 7.342 1.00 0.91 H new ATOM 0 HG12 ILE A 48 9.295 -15.040 8.800 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.692 -14.013 9.056 1.00 1.16 H new ATOM 0 HG21 ILE A 48 8.426 -15.179 6.678 1.00 0.98 H new ATOM 0 HG22 ILE A 48 9.130 -14.180 5.384 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.180 -15.218 6.378 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.013 -13.659 10.800 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.224 -12.184 9.826 1.00 1.01 H new ATOM 0 HD13 ILE A 48 7.805 -13.227 9.567 1.00 1.01 H new ATOM 749 N PRO A 49 11.194 -11.871 4.674 1.00 0.44 N ATOM 750 CA PRO A 49 10.965 -11.145 3.421 1.00 0.35 C ATOM 751 C PRO A 49 9.607 -11.485 2.817 1.00 0.39 C ATOM 752 O PRO A 49 9.358 -12.628 2.430 1.00 0.49 O ATOM 753 CB PRO A 49 12.093 -11.633 2.507 1.00 0.40 C ATOM 754 CG PRO A 49 13.147 -12.130 3.434 1.00 0.51 C ATOM 755 CD PRO A 49 12.418 -12.692 4.620 1.00 0.55 C ATOM 0 HA PRO A 49 10.963 -10.065 3.565 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.748 -12.423 1.841 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.469 -10.826 1.877 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.761 -12.893 2.955 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.817 -11.324 3.733 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.189 -13.750 4.490 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.005 -12.603 5.534 1.00 0.55 H new ATOM 763 N ASN A 50 8.728 -10.491 2.755 1.00 0.40 N ATOM 764 CA ASN A 50 7.389 -10.683 2.218 1.00 0.45 C ATOM 765 C ASN A 50 7.422 -10.781 0.700 1.00 0.49 C ATOM 766 O ASN A 50 7.543 -9.772 0.004 1.00 0.54 O ATOM 767 CB ASN A 50 6.466 -9.540 2.642 1.00 0.45 C ATOM 768 CG ASN A 50 6.153 -9.565 4.123 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.350 -10.372 4.590 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.776 -8.671 4.872 1.00 0.46 N ATOM 0 H ASN A 50 8.921 -9.541 3.072 1.00 0.40 H new ATOM 0 HA ASN A 50 7.001 -11.618 2.621 1.00 0.45 H new ATOM 0 HB2 ASN A 50 6.932 -8.588 2.389 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.536 -9.600 2.077 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.598 -8.633 5.876 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.435 -8.019 4.446 1.00 0.46 H new ATOM 777 N ARG A 51 7.298 -11.999 0.193 1.00 0.51 N ATOM 778 CA ARG A 51 7.317 -12.237 -1.247 1.00 0.57 C ATOM 779 C ARG A 51 6.044 -11.710 -1.902 1.00 0.56 C ATOM 780 O ARG A 51 6.028 -11.403 -3.093 1.00 0.59 O ATOM 781 CB ARG A 51 7.475 -13.729 -1.545 1.00 0.63 C ATOM 782 CG ARG A 51 8.853 -14.273 -1.202 1.00 1.42 C ATOM 783 CD ARG A 51 9.937 -13.603 -2.026 1.00 2.25 C ATOM 784 NE ARG A 51 11.267 -14.113 -1.707 1.00 3.08 N ATOM 785 CZ ARG A 51 12.270 -14.161 -2.579 1.00 4.17 C ATOM 786 NH1 ARG A 51 12.087 -13.744 -3.827 1.00 4.66 N ATOM 787 NH2 ARG A 51 13.453 -14.629 -2.207 1.00 5.04 N ATOM 0 H ARG A 51 7.183 -12.841 0.757 1.00 0.51 H new ATOM 0 HA ARG A 51 8.171 -11.701 -1.663 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.724 -14.285 -0.984 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.277 -13.903 -2.603 1.00 0.63 H new ATOM 0 HG2 ARG A 51 9.053 -14.118 -0.142 1.00 1.42 H new ATOM 0 HG3 ARG A 51 8.874 -15.349 -1.377 1.00 1.42 H new ATOM 0 HD2 ARG A 51 9.734 -13.759 -3.086 1.00 2.25 H new ATOM 0 HD3 ARG A 51 9.911 -12.527 -1.852 1.00 2.25 H new ATOM 0 HE ARG A 51 11.437 -14.452 -0.760 1.00 3.08 H new ATOM 0 HH11 ARG A 51 11.177 -13.387 -4.117 1.00 4.66 H new ATOM 0 HH12 ARG A 51 12.857 -13.781 -4.495 1.00 4.66 H new ATOM 0 HH21 ARG A 51 13.595 -14.953 -1.250 1.00 5.04 H new ATOM 0 HH22 ARG A 51 14.221 -14.665 -2.877 1.00 5.04 H new ATOM 801 N CYS A 52 4.988 -11.584 -1.111 1.00 0.55 N ATOM 802 CA CYS A 52 3.722 -11.088 -1.616 1.00 0.55 C ATOM 803 C CYS A 52 3.838 -9.596 -1.896 1.00 0.52 C ATOM 804 O CYS A 52 3.341 -9.097 -2.904 1.00 0.57 O ATOM 805 CB CYS A 52 2.604 -11.368 -0.614 1.00 0.56 C ATOM 806 SG CYS A 52 1.302 -12.481 -1.237 1.00 0.83 S ATOM 0 H CYS A 52 4.986 -11.819 -0.118 1.00 0.55 H new ATOM 0 HA CYS A 52 3.476 -11.603 -2.545 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.039 -11.804 0.286 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.148 -10.422 -0.322 1.00 0.56 H new ATOM 811 N ALA A 53 4.521 -8.890 -1.000 1.00 0.45 N ATOM 812 CA ALA A 53 4.740 -7.462 -1.162 1.00 0.43 C ATOM 813 C ALA A 53 5.752 -7.218 -2.269 1.00 0.43 C ATOM 814 O ALA A 53 5.697 -6.204 -2.963 1.00 0.44 O ATOM 815 CB ALA A 53 5.199 -6.849 0.134 1.00 0.41 C ATOM 0 H ALA A 53 4.931 -9.287 -0.155 1.00 0.45 H new ATOM 0 HA ALA A 53 3.800 -6.987 -1.442 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.358 -5.780 -0.006 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.439 -7.006 0.900 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.132 -7.317 0.447 1.00 0.41 H new ATOM 821 N GLN A 54 6.667 -8.171 -2.435 1.00 0.45 N ATOM 822 CA GLN A 54 7.683 -8.086 -3.473 1.00 0.48 C ATOM 823 C GLN A 54 7.029 -8.187 -4.846 1.00 0.51 C ATOM 824 O GLN A 54 7.438 -7.516 -5.792 1.00 0.55 O ATOM 825 CB GLN A 54 8.733 -9.191 -3.305 1.00 0.50 C ATOM 826 CG GLN A 54 9.818 -9.176 -4.374 1.00 0.74 C ATOM 827 CD GLN A 54 10.802 -10.319 -4.229 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.589 -11.410 -4.759 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.893 -10.077 -3.520 1.00 1.07 N ATOM 0 H GLN A 54 6.723 -9.012 -1.860 1.00 0.45 H new ATOM 0 HA GLN A 54 8.187 -7.124 -3.384 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.200 -9.090 -2.325 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.233 -10.160 -3.321 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.352 -9.226 -5.358 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.357 -8.230 -4.324 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.033 -9.160 -3.097 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.594 -10.808 -3.397 1.00 1.07 H new ATOM 838 N GLN A 55 6.000 -9.027 -4.949 1.00 0.52 N ATOM 839 CA GLN A 55 5.280 -9.196 -6.208 1.00 0.57 C ATOM 840 C GLN A 55 4.433 -7.958 -6.501 1.00 0.58 C ATOM 841 O GLN A 55 4.099 -7.670 -7.651 1.00 0.74 O ATOM 842 CB GLN A 55 4.401 -10.446 -6.161 1.00 0.62 C ATOM 843 CG GLN A 55 5.194 -11.744 -6.207 1.00 0.65 C ATOM 844 CD GLN A 55 4.309 -12.976 -6.250 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.658 -13.985 -6.867 1.00 1.83 O ATOM 846 NE2 GLN A 55 3.164 -12.908 -5.585 1.00 2.01 N ATOM 0 H GLN A 55 5.649 -9.598 -4.180 1.00 0.52 H new ATOM 0 HA GLN A 55 6.008 -9.320 -7.010 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.803 -10.426 -5.250 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.705 -10.424 -7.000 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.841 -11.737 -7.084 1.00 0.65 H new ATOM 0 HG3 GLN A 55 5.842 -11.799 -5.332 1.00 0.65 H new ATOM 0 HE21 GLN A 55 2.913 -12.054 -5.087 1.00 2.01 H new ATOM 0 HE22 GLN A 55 2.534 -13.710 -5.571 1.00 2.01 H new ATOM 855 N LEU A 56 4.089 -7.232 -5.444 1.00 0.51 N ATOM 856 CA LEU A 56 3.306 -6.015 -5.570 1.00 0.50 C ATOM 857 C LEU A 56 4.206 -4.854 -5.965 1.00 0.47 C ATOM 858 O LEU A 56 3.972 -4.183 -6.968 1.00 0.48 O ATOM 859 CB LEU A 56 2.605 -5.686 -4.251 1.00 0.49 C ATOM 860 CG LEU A 56 1.418 -4.738 -4.386 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.267 -5.457 -5.056 1.00 0.51 C ATOM 862 CD2 LEU A 56 0.983 -4.198 -3.038 1.00 0.48 C ATOM 0 H LEU A 56 4.343 -7.470 -4.485 1.00 0.51 H new ATOM 0 HA LEU A 56 2.553 -6.172 -6.342 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.262 -6.615 -3.795 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.331 -5.244 -3.568 1.00 0.49 H new ATOM 0 HG LEU A 56 1.726 -3.891 -4.998 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.580 -4.778 -5.151 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.575 -5.794 -6.046 1.00 0.51 H new ATOM 0 HD13 LEU A 56 -0.024 -6.318 -4.454 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.135 -3.526 -3.172 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.692 -5.026 -2.391 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.809 -3.653 -2.580 1.00 0.48 H new ATOM 874 N ALA A 57 5.251 -4.644 -5.171 1.00 0.45 N ATOM 875 CA ALA A 57 6.204 -3.568 -5.404 1.00 0.44 C ATOM 876 C ALA A 57 6.957 -3.775 -6.712 1.00 0.46 C ATOM 877 O ALA A 57 7.280 -2.820 -7.416 1.00 0.49 O ATOM 878 CB ALA A 57 7.180 -3.488 -4.240 1.00 0.44 C ATOM 0 H ALA A 57 5.459 -5.214 -4.351 1.00 0.45 H new ATOM 0 HA ALA A 57 5.655 -2.630 -5.480 1.00 0.44 H new ATOM 0 HB1 ALA A 57 7.892 -2.682 -4.417 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.632 -3.292 -3.318 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.716 -4.433 -4.149 1.00 0.44 H new ATOM 884 N GLY A 58 7.226 -5.033 -7.038 1.00 0.53 N ATOM 885 CA GLY A 58 7.937 -5.348 -8.262 1.00 0.61 C ATOM 886 C GLY A 58 7.034 -5.327 -9.476 1.00 0.94 C ATOM 887 O GLY A 58 7.496 -5.545 -10.597 1.00 1.14 O ATOM 0 H GLY A 58 6.964 -5.842 -6.475 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.747 -4.632 -8.403 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.394 -6.333 -8.170 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.176 -13.442 -6.168 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.099 -12.419 -6.628 1.00 0.66 C ATOM 1019 C VAL B 4 -9.029 -11.209 -5.718 1.00 0.59 C ATOM 1020 O VAL B 4 -8.824 -11.336 -4.512 1.00 0.64 O ATOM 1021 CB VAL B 4 -10.547 -12.952 -6.688 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -11.520 -11.883 -7.161 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -10.622 -14.153 -7.606 1.00 0.73 C ATOM 0 HA VAL B 4 -8.805 -12.131 -7.637 1.00 0.66 H new ATOM 0 HB VAL B 4 -10.833 -13.245 -5.678 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -12.528 -12.296 -7.190 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -11.494 -11.037 -6.474 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -11.236 -11.548 -8.159 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -11.647 -14.521 -7.641 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -10.305 -13.865 -8.608 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -9.967 -14.939 -7.231 1.00 0.73 H new ATOM 1033 N THR B 5 -9.193 -10.040 -6.299 1.00 0.50 N ATOM 1034 CA THR B 5 -9.131 -8.810 -5.550 1.00 0.45 C ATOM 1035 C THR B 5 -10.529 -8.358 -5.162 1.00 0.40 C ATOM 1036 O THR B 5 -11.523 -8.863 -5.689 1.00 0.39 O ATOM 1037 CB THR B 5 -8.450 -7.721 -6.398 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.353 -7.266 -7.412 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.187 -8.263 -7.058 1.00 0.48 C ATOM 0 H THR B 5 -9.372 -9.919 -7.296 1.00 0.50 H new ATOM 0 HA THR B 5 -8.552 -8.979 -4.642 1.00 0.45 H new ATOM 0 HB THR B 5 -8.178 -6.893 -5.743 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.250 -7.820 -8.214 1.00 0.39 H new ATOM 0 HG21 THR B 5 -6.721 -7.477 -7.653 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.490 -8.598 -6.290 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.445 -9.102 -7.704 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.619 -7.400 -4.244 1.00 0.39 N ATOM 1048 CA LEU B 6 -11.911 -6.886 -3.831 1.00 0.36 C ATOM 1049 C LEU B 6 -12.396 -5.935 -4.914 1.00 0.32 C ATOM 1050 O LEU B 6 -13.559 -5.528 -4.961 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.773 -6.218 -2.460 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.737 -5.085 -2.125 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -13.033 -5.087 -0.639 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.142 -3.754 -2.535 1.00 0.50 C ATOM 0 H LEU B 6 -9.819 -6.971 -3.779 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.652 -7.677 -3.717 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.884 -6.989 -1.698 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.758 -5.831 -2.376 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.666 -5.236 -2.674 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.722 -4.276 -0.404 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.484 -6.039 -0.359 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.106 -4.948 -0.083 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.840 -2.953 -2.291 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.205 -3.595 -2.001 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.953 -3.755 -3.608 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.465 -5.635 -5.812 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.703 -4.766 -6.939 1.00 0.32 C ATOM 1068 C TYR B 7 -12.502 -5.511 -8.005 1.00 0.32 C ATOM 1069 O TYR B 7 -13.428 -4.961 -8.602 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.353 -4.307 -7.502 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.742 -3.132 -6.769 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.136 -3.266 -5.509 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -9.781 -1.869 -7.344 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.603 -2.169 -4.871 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.240 -0.774 -6.704 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.652 -0.927 -5.469 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.112 0.168 -4.831 1.00 0.49 O ATOM 0 H TYR B 7 -10.513 -5.998 -5.770 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.278 -3.895 -6.626 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.655 -5.144 -7.470 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.481 -4.040 -8.551 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.088 -4.236 -5.038 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.244 -1.742 -8.311 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.145 -2.281 -3.899 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.277 0.200 -7.170 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.719 0.466 -4.122 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.147 -6.780 -8.212 1.00 0.33 N ATOM 1088 CA ASP B 8 -12.827 -7.626 -9.192 1.00 0.35 C ATOM 1089 C ASP B 8 -14.298 -7.769 -8.836 1.00 0.31 C ATOM 1090 O ASP B 8 -15.169 -7.757 -9.710 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.175 -9.012 -9.257 1.00 0.41 C ATOM 1092 CG ASP B 8 -10.794 -8.986 -9.873 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -10.692 -8.783 -11.101 1.00 1.31 O ATOM 1094 OD2 ASP B 8 -9.804 -9.167 -9.130 1.00 1.07 O ATOM 0 H ASP B 8 -11.390 -7.245 -7.712 1.00 0.33 H new ATOM 0 HA ASP B 8 -12.739 -7.150 -10.169 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.110 -9.425 -8.250 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -12.812 -9.681 -9.835 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.559 -7.878 -7.538 1.00 0.27 N ATOM 1100 CA VAL B 9 -15.914 -8.035 -7.024 1.00 0.25 C ATOM 1101 C VAL B 9 -16.763 -6.803 -7.335 1.00 0.25 C ATOM 1102 O VAL B 9 -17.933 -6.913 -7.706 1.00 0.28 O ATOM 1103 CB VAL B 9 -15.887 -8.290 -5.500 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.281 -8.545 -4.957 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -14.976 -9.460 -5.181 1.00 0.28 C ATOM 0 H VAL B 9 -13.840 -7.860 -6.815 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.364 -8.896 -7.518 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.499 -7.394 -5.016 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.226 -8.721 -3.883 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.912 -7.677 -5.151 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.708 -9.420 -5.447 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.965 -9.630 -4.104 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.342 -10.354 -5.686 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -13.965 -9.238 -5.523 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.148 -5.637 -7.220 1.00 0.25 N ATOM 1116 CA ALA B 10 -16.828 -4.376 -7.476 1.00 0.28 C ATOM 1117 C ALA B 10 -17.081 -4.163 -8.963 1.00 0.33 C ATOM 1118 O ALA B 10 -18.198 -3.840 -9.376 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.002 -3.228 -6.922 1.00 0.31 C ATOM 0 H ALA B 10 -15.170 -5.537 -6.948 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.796 -4.409 -6.977 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.514 -2.285 -7.115 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.874 -3.358 -5.847 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.025 -3.216 -7.405 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.037 -4.359 -9.758 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.113 -4.182 -11.204 1.00 0.44 C ATOM 1127 C GLU B 11 -17.143 -5.108 -11.838 1.00 0.47 C ATOM 1128 O GLU B 11 -17.763 -4.765 -12.844 1.00 0.56 O ATOM 1129 CB GLU B 11 -14.741 -4.421 -11.834 1.00 0.51 C ATOM 1130 CG GLU B 11 -13.718 -3.369 -11.463 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.018 -2.025 -12.086 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -14.899 -1.300 -11.570 1.00 2.34 O ATOM 1133 OE2 GLU B 11 -13.376 -1.684 -13.096 1.00 2.16 O ATOM 0 H GLU B 11 -15.117 -4.644 -9.421 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.430 -3.156 -11.393 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.373 -5.400 -11.526 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -14.847 -4.448 -12.919 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -13.686 -3.264 -10.379 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -12.729 -3.700 -11.780 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.325 -6.276 -11.246 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.281 -7.246 -11.758 1.00 0.49 C ATOM 1142 C TYR B 12 -19.705 -6.890 -11.347 1.00 0.49 C ATOM 1143 O TYR B 12 -20.645 -7.054 -12.127 1.00 0.58 O ATOM 1144 CB TYR B 12 -17.937 -8.645 -11.255 1.00 0.49 C ATOM 1145 CG TYR B 12 -18.849 -9.715 -11.804 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -18.744 -10.138 -13.122 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -19.824 -10.294 -11.005 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -19.583 -11.107 -13.626 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -20.669 -11.269 -11.502 1.00 1.18 C ATOM 1150 CZ TYR B 12 -20.544 -11.670 -12.813 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.382 -12.638 -13.316 1.00 0.94 O ATOM 0 H TYR B 12 -16.824 -6.577 -10.410 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.222 -7.227 -12.846 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -16.908 -8.879 -11.527 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -17.989 -8.656 -10.166 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -17.992 -9.700 -13.762 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -19.925 -9.978 -9.977 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -19.489 -11.425 -14.654 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -21.421 -11.713 -10.867 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.000 -12.932 -12.615 1.00 0.94 H new ATOM 1161 N ALA B 13 -19.861 -6.409 -10.120 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.175 -6.048 -9.603 1.00 0.48 C ATOM 1163 C ALA B 13 -21.686 -4.741 -10.208 1.00 0.52 C ATOM 1164 O ALA B 13 -22.891 -4.477 -10.222 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.131 -5.963 -8.087 1.00 0.43 C ATOM 0 H ALA B 13 -19.094 -6.260 -9.464 1.00 0.43 H new ATOM 0 HA ALA B 13 -21.877 -6.829 -9.894 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.117 -5.693 -7.709 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -20.837 -6.929 -7.677 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.407 -5.206 -7.786 1.00 0.43 H new ATOM 1171 N GLY B 14 -20.767 -3.926 -10.707 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.141 -2.662 -11.318 1.00 0.55 C ATOM 1173 C GLY B 14 -21.196 -1.526 -10.318 1.00 0.52 C ATOM 1174 O GLY B 14 -21.859 -0.516 -10.551 1.00 0.59 O ATOM 0 H GLY B 14 -19.765 -4.117 -10.700 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.426 -2.416 -12.103 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.115 -2.768 -11.796 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.491 -1.691 -9.209 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.448 -0.684 -8.156 1.00 0.46 C ATOM 1180 C VAL B 15 -19.018 -0.200 -7.958 1.00 0.43 C ATOM 1181 O VAL B 15 -18.107 -0.677 -8.636 1.00 0.43 O ATOM 1182 CB VAL B 15 -20.969 -1.256 -6.822 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.455 -1.563 -6.912 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.189 -2.509 -6.437 1.00 0.36 C ATOM 0 H VAL B 15 -19.934 -2.523 -9.013 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.086 0.146 -8.460 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.821 -0.504 -6.047 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.802 -1.965 -5.960 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.002 -0.648 -7.140 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.628 -2.296 -7.700 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.570 -2.899 -5.493 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.305 -3.263 -7.215 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.133 -2.261 -6.327 1.00 0.36 H new ATOM 1194 N SER B 16 -18.808 0.739 -7.039 1.00 0.45 N ATOM 1195 CA SER B 16 -17.465 1.221 -6.785 1.00 0.46 C ATOM 1196 C SER B 16 -16.717 0.170 -5.975 1.00 0.41 C ATOM 1197 O SER B 16 -17.343 -0.652 -5.299 1.00 0.39 O ATOM 1198 CB SER B 16 -17.495 2.560 -6.040 1.00 0.50 C ATOM 1199 OG SER B 16 -18.113 2.440 -4.768 1.00 0.64 O ATOM 0 H SER B 16 -19.538 1.170 -6.471 1.00 0.45 H new ATOM 0 HA SER B 16 -16.953 1.388 -7.733 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.477 2.930 -5.917 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.032 3.297 -6.637 1.00 0.50 H new ATOM 0 HG SER B 16 -18.539 1.561 -4.693 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.395 0.179 -6.040 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.596 -0.787 -5.292 1.00 0.41 C ATOM 1207 C TYR B 17 -14.809 -0.570 -3.797 1.00 0.41 C ATOM 1208 O TYR B 17 -14.624 -1.476 -2.983 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.113 -0.672 -5.683 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.213 -0.101 -4.612 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.026 1.268 -4.489 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.544 -0.938 -3.733 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.198 1.784 -3.518 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.712 -0.436 -2.755 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.544 0.930 -2.654 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.723 1.445 -1.692 1.00 1.42 O ATOM 0 H TYR B 17 -14.853 0.838 -6.598 1.00 0.42 H new ATOM 0 HA TYR B 17 -14.916 -1.800 -5.538 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.747 -1.662 -5.955 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.035 -0.048 -6.573 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.537 1.938 -5.164 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.677 -2.007 -3.816 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -11.061 2.852 -3.433 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -10.199 -1.102 -2.077 1.00 1.43 H new ATOM 0 HH TYR B 17 -9.338 0.714 -1.165 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.242 0.636 -3.448 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.498 0.981 -2.064 1.00 0.44 C ATOM 1228 C GLN B 18 -16.805 0.363 -1.590 1.00 0.38 C ATOM 1229 O GLN B 18 -16.996 0.149 -0.396 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.538 2.491 -1.884 1.00 0.52 C ATOM 1231 CG GLN B 18 -15.018 2.932 -0.536 1.00 0.97 C ATOM 1232 CD GLN B 18 -14.201 4.200 -0.617 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -14.118 4.943 0.351 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.601 4.466 -1.775 1.00 0.87 N ATOM 0 H GLN B 18 -15.422 1.390 -4.111 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.683 0.581 -1.460 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -14.946 2.962 -2.669 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.563 2.840 -2.005 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.858 3.088 0.141 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -14.407 2.137 -0.108 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.695 3.820 -2.559 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.047 5.316 -1.879 1.00 0.87 H new ATOM 1243 N THR B 19 -17.698 0.073 -2.529 1.00 0.39 N ATOM 1244 CA THR B 19 -18.973 -0.551 -2.200 1.00 0.38 C ATOM 1245 C THR B 19 -18.712 -1.918 -1.589 1.00 0.34 C ATOM 1246 O THR B 19 -19.384 -2.342 -0.648 1.00 0.36 O ATOM 1247 CB THR B 19 -19.868 -0.693 -3.445 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.906 0.553 -4.146 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.283 -1.110 -3.063 1.00 0.45 C ATOM 0 H THR B 19 -17.563 0.260 -3.523 1.00 0.39 H new ATOM 0 HA THR B 19 -19.498 0.084 -1.487 1.00 0.38 H new ATOM 0 HB THR B 19 -19.447 -1.469 -4.085 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.837 0.795 -4.333 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.891 -1.202 -3.963 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.253 -2.069 -2.546 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.719 -0.358 -2.406 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.693 -2.581 -2.117 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.283 -3.887 -1.625 1.00 0.33 C ATOM 1259 C VAL B 20 -16.542 -3.706 -0.304 1.00 0.36 C ATOM 1260 O VAL B 20 -16.728 -4.478 0.637 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.393 -4.622 -2.649 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.997 -5.998 -2.149 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.113 -4.746 -3.979 1.00 0.44 C ATOM 0 H VAL B 20 -17.131 -2.231 -2.893 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.170 -4.501 -1.471 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.486 -4.033 -2.783 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.371 -6.489 -2.894 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.443 -5.900 -1.216 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.893 -6.595 -1.978 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.473 -5.266 -4.692 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.036 -5.309 -3.842 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.347 -3.752 -4.360 1.00 0.44 H new ATOM 1273 N SER B 21 -15.720 -2.658 -0.248 1.00 0.39 N ATOM 1274 CA SER B 21 -14.966 -2.307 0.946 1.00 0.45 C ATOM 1275 C SER B 21 -15.909 -2.085 2.127 1.00 0.45 C ATOM 1276 O SER B 21 -15.578 -2.399 3.270 1.00 0.52 O ATOM 1277 CB SER B 21 -14.169 -1.032 0.671 1.00 0.50 C ATOM 1278 OG SER B 21 -13.903 -0.316 1.864 1.00 1.29 O ATOM 0 H SER B 21 -15.561 -2.029 -1.035 1.00 0.39 H new ATOM 0 HA SER B 21 -14.288 -3.122 1.197 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.229 -1.288 0.182 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.724 -0.397 -0.019 1.00 0.50 H new ATOM 0 HG SER B 21 -13.391 0.492 1.653 1.00 1.29 H new ATOM 1284 N ARG B 22 -17.090 -1.551 1.829 1.00 0.44 N ATOM 1285 CA ARG B 22 -18.096 -1.273 2.850 1.00 0.51 C ATOM 1286 C ARG B 22 -18.585 -2.559 3.501 1.00 0.54 C ATOM 1287 O ARG B 22 -18.641 -2.658 4.729 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.281 -0.512 2.250 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.941 0.894 1.784 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.159 1.657 2.837 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.011 3.069 2.490 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.579 3.997 3.338 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.185 3.654 4.559 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.531 5.266 2.963 1.00 2.66 N ATOM 0 H ARG B 22 -17.375 -1.301 0.882 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.628 -0.653 3.614 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.673 -1.079 1.406 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -20.077 -0.455 2.993 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.359 0.842 0.864 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.859 1.433 1.550 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -18.665 1.571 3.798 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.173 1.207 2.954 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.253 3.359 1.543 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -17.213 2.676 4.848 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -16.854 4.368 5.208 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.826 5.532 2.023 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.199 5.978 3.614 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.924 -3.546 2.675 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.405 -4.831 3.164 1.00 0.58 C ATOM 1310 C VAL B 23 -18.286 -5.566 3.895 1.00 0.62 C ATOM 1311 O VAL B 23 -18.508 -6.197 4.930 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.926 -5.725 2.013 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.703 -6.911 2.556 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.786 -4.922 1.049 1.00 0.55 C ATOM 0 H VAL B 23 -18.873 -3.477 1.659 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.231 -4.630 3.846 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.062 -6.104 1.467 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.058 -7.523 1.727 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.054 -7.508 3.197 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.555 -6.554 3.134 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.140 -5.572 0.249 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.640 -4.506 1.583 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.195 -4.111 0.623 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.079 -5.456 3.355 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.911 -6.097 3.935 1.00 0.69 C ATOM 1326 C VAL B 24 -15.578 -5.502 5.304 1.00 0.76 C ATOM 1327 O VAL B 24 -15.187 -6.223 6.226 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.700 -5.966 2.986 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.392 -6.238 3.710 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -14.868 -6.895 1.798 1.00 0.66 C ATOM 0 H VAL B 24 -16.885 -4.923 2.508 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.140 -7.154 4.072 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.660 -4.938 2.625 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.562 -6.137 3.011 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.271 -5.523 4.524 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.404 -7.250 4.115 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.009 -6.796 1.134 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -14.939 -7.925 2.148 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.777 -6.633 1.257 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.757 -4.190 5.431 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.480 -3.496 6.684 1.00 0.79 C ATOM 1342 C ASN B 25 -16.412 -3.971 7.786 1.00 1.20 C ATOM 1343 O ASN B 25 -16.014 -4.727 8.669 1.00 1.68 O ATOM 1344 CB ASN B 25 -15.630 -1.983 6.510 1.00 0.77 C ATOM 1345 CG ASN B 25 -14.299 -1.277 6.375 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -13.653 -0.950 7.367 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.884 -1.029 5.146 1.00 1.07 N ATOM 0 H ASN B 25 -16.093 -3.586 4.681 1.00 0.72 H new ATOM 0 HA ASN B 25 -14.452 -3.724 6.966 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -16.235 -1.781 5.626 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -16.168 -1.574 7.365 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.997 -0.549 4.994 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.451 -1.317 4.348 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.303 1.189 5.188 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.462 2.063 4.034 1.00 0.93 C ATOM 1394 C HIS B 29 -23.675 1.255 2.754 1.00 0.85 C ATOM 1395 O HIS B 29 -23.232 1.653 1.677 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.288 3.015 3.823 1.00 1.01 C ATOM 1397 CG HIS B 29 -21.612 3.556 5.050 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -20.463 4.307 4.975 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -21.929 3.496 6.364 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.103 4.681 6.181 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -20.976 4.203 7.047 1.00 1.31 N ATOM 0 HA HIS B 29 -24.344 2.665 4.253 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -21.538 2.498 3.225 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -22.641 3.860 3.232 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -22.777 2.985 6.795 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.237 5.280 6.423 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -20.946 4.338 8.058 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.341 0.122 2.883 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.645 -0.727 1.743 1.00 0.78 C ATOM 1412 C VAL B 30 -26.094 -1.185 1.826 1.00 0.81 C ATOM 1413 O VAL B 30 -26.513 -1.774 2.825 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.711 -1.952 1.656 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -22.471 -1.618 0.849 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.327 -2.437 3.040 1.00 1.22 C ATOM 0 H VAL B 30 -24.685 -0.235 3.774 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.486 -0.137 0.840 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.249 -2.754 1.151 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -21.823 -2.493 0.798 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -22.762 -1.322 -0.159 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -21.935 -0.798 1.327 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -22.668 -3.301 2.953 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.811 -1.640 3.575 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -24.225 -2.719 3.589 1.00 1.22 H new ATOM 1426 N SER B 31 -26.856 -0.903 0.787 1.00 0.82 N ATOM 1427 CA SER B 31 -28.267 -1.257 0.752 1.00 0.88 C ATOM 1428 C SER B 31 -28.459 -2.700 0.298 1.00 0.94 C ATOM 1429 O SER B 31 -27.509 -3.344 -0.128 1.00 1.42 O ATOM 1430 CB SER B 31 -29.001 -0.292 -0.177 1.00 0.90 C ATOM 1431 OG SER B 31 -28.124 0.199 -1.179 1.00 0.83 O ATOM 0 H SER B 31 -26.521 -0.427 -0.051 1.00 0.82 H new ATOM 0 HA SER B 31 -28.681 -1.176 1.757 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.847 -0.799 -0.642 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.406 0.540 0.400 1.00 0.90 H new ATOM 0 HG SER B 31 -27.545 -0.527 -1.491 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.687 -3.204 0.379 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.978 -4.578 -0.016 1.00 0.92 C ATOM 1439 C ALA B 32 -29.556 -4.863 -1.460 1.00 0.86 C ATOM 1440 O ALA B 32 -29.005 -5.924 -1.759 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.458 -4.868 0.170 1.00 1.07 C ATOM 0 H ALA B 32 -30.496 -2.681 0.715 1.00 0.88 H new ATOM 0 HA ALA B 32 -29.395 -5.238 0.627 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.668 -5.896 -0.127 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.727 -4.731 1.217 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -32.043 -4.186 -0.447 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.789 -3.899 -2.344 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.451 -4.056 -3.758 1.00 0.87 C ATOM 1449 C LYS B 33 -27.939 -4.145 -3.990 1.00 0.79 C ATOM 1450 O LYS B 33 -27.486 -4.863 -4.878 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.026 -2.895 -4.573 1.00 0.95 C ATOM 1452 CG LYS B 33 -29.914 -3.084 -6.077 1.00 1.51 C ATOM 1453 CD LYS B 33 -29.864 -1.751 -6.806 1.00 1.82 C ATOM 1454 CE LYS B 33 -29.714 -1.943 -8.306 1.00 2.55 C ATOM 1455 NZ LYS B 33 -29.250 -0.702 -8.979 1.00 3.30 N ATOM 0 H LYS B 33 -30.210 -3.000 -2.109 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.893 -4.996 -4.088 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.076 -2.764 -4.310 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.510 -1.977 -4.293 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.017 -3.659 -6.306 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.764 -3.664 -6.436 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -30.774 -1.187 -6.599 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -29.030 -1.159 -6.428 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -29.005 -2.748 -8.500 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -30.670 -2.251 -8.730 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -29.160 -0.874 -10.001 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -29.939 0.060 -8.815 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -28.326 -0.422 -8.592 1.00 3.30 H new ATOM 1469 N THR B 34 -27.157 -3.435 -3.187 1.00 0.68 N ATOM 1470 CA THR B 34 -25.707 -3.429 -3.363 1.00 0.61 C ATOM 1471 C THR B 34 -24.993 -4.435 -2.458 1.00 0.57 C ATOM 1472 O THR B 34 -24.111 -5.162 -2.908 1.00 0.54 O ATOM 1473 CB THR B 34 -25.131 -2.026 -3.112 1.00 0.64 C ATOM 1474 OG1 THR B 34 -25.947 -1.328 -2.165 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.055 -1.236 -4.408 1.00 0.73 C ATOM 0 H THR B 34 -27.496 -2.861 -2.415 1.00 0.68 H new ATOM 0 HA THR B 34 -25.528 -3.725 -4.397 1.00 0.61 H new ATOM 0 HB THR B 34 -24.123 -2.133 -2.712 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.575 -0.435 -2.008 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.645 -0.246 -4.207 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.412 -1.759 -5.116 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.054 -1.135 -4.832 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.384 -4.479 -1.194 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.775 -5.382 -0.216 1.00 0.61 C ATOM 1485 C ARG B 35 -24.869 -6.834 -0.667 1.00 0.60 C ATOM 1486 O ARG B 35 -23.862 -7.535 -0.744 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.450 -5.205 1.144 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.842 -6.047 2.253 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.443 -5.688 3.601 1.00 1.00 C ATOM 1490 NE ARG B 35 -24.995 -6.582 4.667 1.00 1.71 N ATOM 1491 CZ ARG B 35 -25.269 -6.392 5.958 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.937 -5.312 6.346 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.862 -7.270 6.867 1.00 3.21 N ATOM 0 H ARG B 35 -26.128 -3.895 -0.813 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.718 -5.129 -0.130 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.397 -4.154 1.430 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.506 -5.457 1.049 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -25.010 -7.104 2.046 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.763 -5.895 2.280 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -25.174 -4.662 3.854 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.530 -5.725 3.532 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.441 -7.398 4.408 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -26.242 -4.626 5.656 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -26.145 -5.169 7.334 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -24.337 -8.096 6.579 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -25.075 -7.119 7.853 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.079 -7.275 -0.987 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.291 -8.645 -1.430 1.00 0.67 C ATOM 1509 C GLU B 36 -25.608 -8.902 -2.771 1.00 0.62 C ATOM 1510 O GLU B 36 -25.211 -10.030 -3.064 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.780 -8.947 -1.531 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.483 -8.944 -0.188 1.00 0.84 C ATOM 1513 CD GLU B 36 -29.884 -9.505 -0.269 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.039 -10.744 -0.191 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -30.838 -8.713 -0.407 1.00 1.98 O ATOM 0 H GLU B 36 -26.925 -6.706 -0.948 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.846 -9.310 -0.690 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.250 -8.210 -2.181 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.915 -9.920 -2.002 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -27.901 -9.529 0.525 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.525 -7.924 0.195 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.467 -7.850 -3.574 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.819 -7.959 -4.874 1.00 0.56 C ATOM 1524 C LYS B 37 -23.325 -8.208 -4.697 1.00 0.48 C ATOM 1525 O LYS B 37 -22.739 -9.038 -5.389 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.055 -6.685 -5.693 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.596 -6.788 -7.139 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.159 -5.655 -7.985 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.680 -5.683 -8.026 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.204 -6.969 -8.559 1.00 1.66 N ATOM 0 H LYS B 37 -25.794 -6.912 -3.345 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.251 -8.802 -5.412 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.118 -6.446 -5.676 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.534 -5.856 -5.215 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -23.507 -6.766 -7.179 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -24.911 -7.745 -7.555 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -24.824 -4.699 -7.582 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -24.767 -5.729 -8.999 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.072 -5.521 -7.022 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.040 -4.861 -8.645 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.220 -6.873 -8.760 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.699 -7.213 -9.435 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.060 -7.721 -7.855 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.720 -7.492 -3.754 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.300 -7.644 -3.471 1.00 0.37 C ATOM 1546 C VAL B 38 -21.011 -9.051 -2.956 1.00 0.39 C ATOM 1547 O VAL B 38 -20.112 -9.732 -3.449 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.816 -6.608 -2.436 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.368 -6.861 -2.041 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -20.988 -5.194 -2.974 1.00 0.38 C ATOM 0 H VAL B 38 -23.193 -6.800 -3.173 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.760 -7.477 -4.403 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.430 -6.714 -1.541 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.055 -6.115 -1.310 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.278 -7.856 -1.605 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.733 -6.793 -2.924 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.641 -4.477 -2.230 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.405 -5.079 -3.888 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.041 -5.012 -3.190 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.795 -9.485 -1.970 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.638 -10.813 -1.391 1.00 0.50 C ATOM 1562 C GLU B 39 -21.854 -11.895 -2.446 1.00 0.53 C ATOM 1563 O GLU B 39 -21.237 -12.957 -2.389 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.624 -11.012 -0.241 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.535 -9.942 0.835 1.00 0.63 C ATOM 1566 CD GLU B 39 -23.487 -10.194 1.984 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -24.687 -9.879 1.845 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -23.038 -10.718 3.027 1.00 1.79 O ATOM 0 H GLU B 39 -22.546 -8.933 -1.557 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.620 -10.895 -1.009 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.637 -11.027 -0.642 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.446 -11.987 0.213 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.515 -9.899 1.216 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.752 -8.969 0.394 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.739 -11.624 -3.399 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.021 -12.569 -4.472 1.00 0.61 C ATOM 1577 C ALA B 40 -21.861 -12.625 -5.460 1.00 0.53 C ATOM 1578 O ALA B 40 -21.451 -13.705 -5.895 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.308 -12.191 -5.188 1.00 0.70 C ATOM 0 H ALA B 40 -23.274 -10.757 -3.450 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.145 -13.558 -4.032 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.504 -12.907 -5.986 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.136 -12.203 -4.479 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.208 -11.192 -5.613 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.324 -11.456 -5.796 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.209 -11.360 -6.728 1.00 0.43 C ATOM 1587 C ALA B 41 -18.975 -12.069 -6.185 1.00 0.38 C ATOM 1588 O ALA B 41 -18.155 -12.577 -6.951 1.00 0.39 O ATOM 1589 CB ALA B 41 -19.898 -9.901 -7.039 1.00 0.42 C ATOM 0 H ALA B 41 -21.646 -10.559 -5.434 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.499 -11.858 -7.653 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.062 -9.848 -7.737 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.774 -9.429 -7.485 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.635 -9.381 -6.118 1.00 0.42 H new ATOM 1595 N MET B 42 -18.860 -12.118 -4.857 1.00 0.38 N ATOM 1596 CA MET B 42 -17.730 -12.780 -4.204 1.00 0.40 C ATOM 1597 C MET B 42 -17.668 -14.254 -4.600 1.00 0.45 C ATOM 1598 O MET B 42 -16.599 -14.861 -4.614 1.00 0.52 O ATOM 1599 CB MET B 42 -17.842 -12.660 -2.679 1.00 0.44 C ATOM 1600 CG MET B 42 -17.568 -11.261 -2.153 1.00 0.41 C ATOM 1601 SD MET B 42 -17.730 -11.145 -0.359 1.00 0.51 S ATOM 1602 CE MET B 42 -17.406 -9.400 -0.108 1.00 0.46 C ATOM 0 H MET B 42 -19.536 -11.707 -4.213 1.00 0.38 H new ATOM 0 HA MET B 42 -16.815 -12.286 -4.532 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.843 -12.964 -2.372 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.142 -13.356 -2.217 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.561 -10.959 -2.443 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.258 -10.560 -2.622 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.617 -9.280 0.635 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.090 -8.950 -1.049 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.313 -8.908 0.243 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.821 -14.814 -4.947 1.00 0.46 N ATOM 1613 CA ALA B 43 -18.901 -16.214 -5.338 1.00 0.53 C ATOM 1614 C ALA B 43 -18.653 -16.374 -6.831 1.00 0.55 C ATOM 1615 O ALA B 43 -17.981 -17.311 -7.264 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.255 -16.796 -4.959 1.00 0.61 C ATOM 0 H ALA B 43 -19.713 -14.319 -4.965 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.125 -16.761 -4.803 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.298 -17.843 -5.259 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.394 -16.721 -3.881 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.044 -16.241 -5.466 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.179 -15.433 -7.607 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.033 -15.457 -9.056 1.00 0.58 C ATOM 1624 C GLU B 44 -17.567 -15.344 -9.458 1.00 0.59 C ATOM 1625 O GLU B 44 -17.099 -16.067 -10.333 1.00 0.68 O ATOM 1626 CB GLU B 44 -19.836 -14.316 -9.685 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.298 -14.308 -9.277 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.136 -15.309 -10.054 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -21.854 -16.521 -9.976 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -23.095 -14.884 -10.738 1.00 1.29 O ATOM 0 H GLU B 44 -19.713 -14.640 -7.253 1.00 0.54 H new ATOM 0 HA GLU B 44 -19.417 -16.410 -9.421 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.383 -13.365 -9.403 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -19.770 -14.391 -10.770 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.374 -14.528 -8.212 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -21.706 -13.308 -9.426 1.00 0.63 H new ATOM 1637 N LEU B 45 -16.845 -14.438 -8.805 1.00 0.52 N ATOM 1638 CA LEU B 45 -15.427 -14.229 -9.105 1.00 0.55 C ATOM 1639 C LEU B 45 -14.538 -15.188 -8.325 1.00 0.55 C ATOM 1640 O LEU B 45 -13.342 -15.293 -8.609 1.00 0.63 O ATOM 1641 CB LEU B 45 -14.988 -12.799 -8.754 1.00 0.51 C ATOM 1642 CG LEU B 45 -15.480 -11.674 -9.668 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.022 -12.217 -10.979 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -16.526 -10.844 -8.947 1.00 0.99 C ATOM 0 H LEU B 45 -17.214 -13.838 -8.067 1.00 0.52 H new ATOM 0 HA LEU B 45 -15.315 -14.408 -10.174 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.323 -12.582 -7.740 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -13.898 -12.773 -8.742 1.00 0.51 H new ATOM 0 HG LEU B 45 -14.631 -11.035 -9.913 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.362 -11.390 -11.602 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.236 -12.764 -11.499 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -16.858 -12.887 -10.778 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -16.872 -10.045 -9.603 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.369 -11.479 -8.673 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.090 -10.411 -8.047 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.127 -15.888 -7.356 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.374 -16.788 -6.492 1.00 0.59 C ATOM 1658 C ASN B 46 -13.361 -15.941 -5.736 1.00 0.54 C ATOM 1659 O ASN B 46 -12.158 -16.211 -5.731 1.00 0.59 O ATOM 1660 CB ASN B 46 -13.681 -17.888 -7.304 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.317 -19.093 -6.465 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.121 -20.007 -6.293 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -12.099 -19.105 -5.947 1.00 1.40 N ATOM 0 H ASN B 46 -16.125 -15.847 -7.152 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.042 -17.296 -5.796 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.336 -18.201 -8.117 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -12.778 -17.482 -7.761 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -11.794 -19.895 -5.379 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -11.465 -18.324 -6.116 1.00 1.40 H new ATOM 1670 N TYR B 47 -13.888 -14.883 -5.125 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.088 -13.902 -4.403 1.00 0.46 C ATOM 1672 C TYR B 47 -12.289 -14.504 -3.261 1.00 0.52 C ATOM 1673 O TYR B 47 -12.827 -14.898 -2.223 1.00 0.58 O ATOM 1674 CB TYR B 47 -13.977 -12.759 -3.874 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.247 -11.716 -3.043 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -11.923 -11.377 -3.304 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -13.890 -11.072 -1.991 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.265 -10.431 -2.543 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.236 -10.126 -1.227 1.00 1.33 C ATOM 1680 CZ TYR B 47 -11.923 -9.809 -1.507 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.264 -8.869 -0.743 1.00 0.51 O ATOM 0 H TYR B 47 -14.888 -14.683 -5.118 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.370 -13.509 -5.122 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.449 -12.262 -4.722 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.777 -13.189 -3.271 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.401 -11.862 -4.116 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -14.918 -11.316 -1.768 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.237 -10.180 -2.760 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.750 -9.636 -0.413 1.00 1.33 H new ATOM 0 HH TYR B 47 -11.870 -8.525 -0.054 1.00 0.51 H new ATOM 1691 N ILE B 48 -10.993 -14.556 -3.482 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.045 -15.022 -2.492 1.00 0.64 C ATOM 1693 C ILE B 48 -9.090 -13.870 -2.233 1.00 0.59 C ATOM 1694 O ILE B 48 -8.132 -13.687 -2.980 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.253 -16.266 -2.958 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.204 -17.429 -3.259 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.224 -16.669 -1.905 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.963 -17.924 -2.047 1.00 1.28 C ATOM 0 H ILE B 48 -10.563 -14.273 -4.363 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.581 -15.327 -1.593 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.723 -16.013 -3.876 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.918 -17.115 -4.020 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.631 -18.255 -3.680 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.676 -17.546 -2.249 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.528 -15.846 -1.743 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.733 -16.903 -0.970 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.616 -18.747 -2.338 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.257 -18.270 -1.292 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.564 -17.112 -1.637 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.391 -13.061 -1.191 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.626 -11.868 -0.814 1.00 0.64 C ATOM 1712 C PRO B 49 -7.142 -11.950 -1.140 1.00 0.60 C ATOM 1713 O PRO B 49 -6.431 -12.826 -0.646 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.860 -11.811 0.692 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.256 -12.305 0.865 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.511 -13.284 -0.255 1.00 0.72 C ATOM 0 HA PRO B 49 -8.946 -10.983 -1.364 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.147 -12.436 1.230 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.746 -10.797 1.074 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.379 -12.786 1.835 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.966 -11.479 0.827 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.527 -14.311 0.109 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.473 -13.100 -0.734 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.691 -11.026 -1.988 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.295 -10.963 -2.400 1.00 0.58 C ATOM 1726 C ASN B 50 -4.410 -10.578 -1.218 1.00 0.60 C ATOM 1727 O ASN B 50 -4.117 -9.405 -0.992 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.091 -10.002 -3.596 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.897 -8.699 -3.544 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -6.858 -8.551 -2.787 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.520 -7.748 -4.392 1.00 0.68 N ATOM 0 H ASN B 50 -7.281 -10.306 -2.405 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.000 -11.956 -2.740 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -4.032 -9.751 -3.661 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -5.350 -10.532 -4.513 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.031 -6.866 -4.429 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.720 -7.900 -5.006 1.00 0.68 H new ATOM 1738 N ARG B 51 -3.980 -11.609 -0.486 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.157 -11.470 0.713 1.00 0.84 C ATOM 1740 C ARG B 51 -1.927 -10.602 0.484 1.00 0.76 C ATOM 1741 O ARG B 51 -1.480 -9.925 1.397 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.736 -12.861 1.211 1.00 1.06 C ATOM 1743 CG ARG B 51 -1.960 -12.842 2.520 1.00 1.68 C ATOM 1744 CD ARG B 51 -2.875 -12.649 3.721 1.00 2.18 C ATOM 1745 NE ARG B 51 -2.158 -12.839 4.983 1.00 2.97 N ATOM 1746 CZ ARG B 51 -2.484 -12.244 6.129 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.503 -11.396 6.181 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -1.780 -12.494 7.223 1.00 4.76 N ATOM 0 H ARG B 51 -4.199 -12.578 -0.716 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.762 -10.968 1.468 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.628 -13.475 1.338 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.125 -13.340 0.446 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -1.410 -13.777 2.629 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -1.223 -12.040 2.493 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -3.305 -11.648 3.694 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -3.704 -13.354 3.664 1.00 2.18 H new ATOM 0 HE ARG B 51 -1.356 -13.469 4.985 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -4.043 -11.196 5.339 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.746 -10.944 7.063 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -0.992 -13.140 7.186 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -2.026 -12.040 8.103 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.391 -10.608 -0.728 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.206 -9.811 -1.030 1.00 0.62 C ATOM 1764 C CYS B 52 -0.416 -8.338 -0.678 1.00 0.58 C ATOM 1765 O CYS B 52 0.396 -7.735 0.023 1.00 0.61 O ATOM 1766 CB CYS B 52 0.174 -9.948 -2.503 1.00 0.66 C ATOM 1767 SG CYS B 52 0.726 -11.619 -2.984 1.00 0.70 S ATOM 0 H CYS B 52 -1.752 -11.150 -1.513 1.00 0.66 H new ATOM 0 HA CYS B 52 0.610 -10.193 -0.416 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.685 -9.672 -3.115 1.00 0.66 H new ATOM 0 HB3 CYS B 52 0.968 -9.237 -2.729 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.522 -7.776 -1.140 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.834 -6.378 -0.880 1.00 0.52 C ATOM 1774 C ALA B 53 -2.709 -6.223 0.359 1.00 0.51 C ATOM 1775 O ALA B 53 -2.701 -5.176 1.003 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.488 -5.766 -2.101 1.00 0.53 C ATOM 0 H ALA B 53 -2.220 -8.267 -1.698 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.905 -5.845 -0.678 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.720 -4.720 -1.903 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.808 -5.833 -2.950 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.407 -6.305 -2.330 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.442 -7.276 0.704 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.314 -7.253 1.873 1.00 0.53 C ATOM 1784 C GLN B 54 -3.498 -7.337 3.162 1.00 0.58 C ATOM 1785 O GLN B 54 -3.807 -6.662 4.141 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.345 -8.377 1.797 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.589 -7.993 1.010 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.731 -7.547 1.907 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.516 -6.993 2.986 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.959 -7.782 1.467 1.00 0.64 N ATOM 0 H GLN B 54 -3.450 -8.157 0.190 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.851 -6.305 1.882 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.887 -9.252 1.336 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.636 -8.664 2.807 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.342 -7.190 0.316 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.913 -8.844 0.411 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.099 -8.243 0.568 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.764 -7.502 2.027 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.458 -8.165 3.166 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.587 -8.281 4.332 1.00 0.62 C ATOM 1801 C GLN B 55 -0.768 -7.003 4.450 1.00 0.60 C ATOM 1802 O GLN B 55 -0.517 -6.503 5.546 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.657 -9.484 4.204 1.00 0.65 C ATOM 1804 CG GLN B 55 0.182 -9.733 5.444 1.00 1.19 C ATOM 1805 CD GLN B 55 1.441 -10.522 5.152 1.00 1.78 C ATOM 1806 OE1 GLN B 55 1.442 -11.754 5.178 1.00 2.38 O ATOM 1807 NE2 GLN B 55 2.528 -9.817 4.877 1.00 2.52 N ATOM 0 H GLN B 55 -2.198 -8.762 2.381 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.197 -8.426 5.224 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.252 -10.373 3.993 1.00 0.65 H new ATOM 0 HB3 GLN B 55 0.005 -9.333 3.351 1.00 0.65 H new ATOM 0 HG2 GLN B 55 0.453 -8.777 5.891 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -0.416 -10.271 6.180 1.00 1.19 H new ATOM 0 HE21 GLN B 55 2.486 -8.798 4.865 1.00 2.52 H new ATOM 0 HE22 GLN B 55 3.408 -10.293 4.677 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.357 -6.496 3.291 1.00 0.54 N ATOM 1817 CA LEU B 56 0.399 -5.258 3.192 1.00 0.53 C ATOM 1818 C LEU B 56 -0.381 -4.118 3.812 1.00 0.55 C ATOM 1819 O LEU B 56 -0.010 -3.596 4.861 1.00 0.58 O ATOM 1820 CB LEU B 56 0.649 -4.964 1.719 1.00 0.48 C ATOM 1821 CG LEU B 56 1.893 -4.154 1.415 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.066 -4.707 2.178 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.181 -4.183 -0.062 1.00 0.46 C ATOM 0 H LEU B 56 -0.542 -6.938 2.390 1.00 0.54 H new ATOM 0 HA LEU B 56 1.345 -5.361 3.724 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.714 -5.911 1.184 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.215 -4.432 1.321 1.00 0.48 H new ATOM 0 HG LEU B 56 1.725 -3.122 1.722 1.00 0.46 H new ATOM 0 HD11 LEU B 56 3.956 -4.119 1.954 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.860 -4.659 3.247 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.233 -5.744 1.887 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.077 -3.598 -0.270 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.338 -5.213 -0.382 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.337 -3.759 -0.606 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.483 -3.782 3.168 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.342 -2.704 3.610 1.00 0.59 C ATOM 1837 C ALA B 57 -3.066 -3.066 4.906 1.00 0.68 C ATOM 1838 O ALA B 57 -2.650 -2.656 5.990 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.323 -2.376 2.500 1.00 0.55 C ATOM 0 H ALA B 57 -1.807 -4.251 2.322 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.736 -1.824 3.827 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.977 -1.565 2.820 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.775 -2.070 1.609 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.923 -3.257 2.273 1.00 0.55 H new