USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 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: B 47 TYR OH : rot 180:sc= -1.79! USER MOD Set 1.2: B 54 GLN : amide:sc= -2.09! C(o=-3.9!,f=-7.7!) USER MOD Set 2.1: B 31 SER OG : rot 63:sc= 0.304 USER MOD Set 2.2: B 34 THR OG1 : rot 180:sc= 0.366 USER MOD Set 3.1: B 16 SER OG : rot 180:sc= 0.981 USER MOD Set 3.2: B 19 THR OG1 : rot 59:sc= 1.15 USER MOD Set 4.1: A 31 SER OG : rot -37:sc= 0.545 USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= 0.556 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 ASN : amide:sc= 1.18 K(o=1.2,f=0.21) USER MOD Single : A 5 THR OG1 : rot 123:sc= 0.379 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 1.13 K(o=1.1,f=-0.009) USER MOD Single : A 19 THR OG1 : rot -170:sc=-0.00208 USER MOD Single : A 26 GLN : amide:sc= 0.154 K(o=0.15,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.0993 F(o=-0.77,f=-0.099) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 155:sc= -2.08! (180deg=-2.82) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0198 F(o=-0.76,f=-0.02) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 54 GLN : amide:sc= -0.22 K(o=-0.22,f=-3!) USER MOD Single : A 55 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.51) USER MOD Single : B 5 THR OG1 : rot -85:sc= 0.628 USER MOD Single : B 7 TYR OH : rot -75:sc= 0.889 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= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot 73:sc= 0.101 USER MOD Single : B 25 ASN : amide:sc= 1.14 K(o=1.1,f=-0.17) USER MOD Single : B 29 HIS :FLIP no HE2:sc= -0.241 F(o=-0.89,f=-0.24) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -130:sc= -0.239 (180deg=-3.34!) USER MOD Single : B 46 ASN :FLIP amide:sc= -0.0724 F(o=-1.3!,f=-0.072) USER MOD Single : B 50 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.1!) USER MOD Single : B 55 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.652 -10.378 10.736 1.00 0.87 N ATOM 43 CA PRO A 3 5.616 -10.211 9.651 1.00 0.67 C ATOM 44 C PRO A 3 6.470 -8.965 9.844 1.00 0.57 C ATOM 45 O PRO A 3 5.996 -7.836 9.694 1.00 0.62 O ATOM 46 CB PRO A 3 4.745 -10.083 8.401 1.00 0.89 C ATOM 47 CG PRO A 3 3.416 -9.618 8.893 1.00 1.30 C ATOM 48 CD PRO A 3 3.263 -10.165 10.288 1.00 1.15 C ATOM 0 HA PRO A 3 6.321 -11.041 9.596 1.00 0.67 H new ATOM 0 HB2 PRO A 3 5.173 -9.372 7.694 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.660 -11.037 7.881 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.362 -8.529 8.895 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.615 -9.976 8.246 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.736 -9.465 10.937 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.694 -11.095 10.293 1.00 1.15 H new ATOM 56 N VAL A 4 7.726 -9.184 10.198 1.00 0.48 N ATOM 57 CA VAL A 4 8.658 -8.098 10.423 1.00 0.41 C ATOM 58 C VAL A 4 8.929 -7.391 9.108 1.00 0.36 C ATOM 59 O VAL A 4 9.141 -8.031 8.078 1.00 0.37 O ATOM 60 CB VAL A 4 9.974 -8.604 11.049 1.00 0.42 C ATOM 61 CG1 VAL A 4 10.897 -7.446 11.396 1.00 0.39 C ATOM 62 CG2 VAL A 4 9.679 -9.434 12.284 1.00 0.54 C ATOM 0 H VAL A 4 8.123 -10.113 10.336 1.00 0.48 H new ATOM 0 HA VAL A 4 8.213 -7.397 11.129 1.00 0.41 H new ATOM 0 HB VAL A 4 10.482 -9.229 10.315 1.00 0.42 H new ATOM 0 HG11 VAL A 4 11.816 -7.833 11.835 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.135 -6.886 10.491 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.402 -6.788 12.110 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.615 -9.786 12.718 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.148 -8.824 13.014 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.062 -10.290 12.009 1.00 0.54 H new ATOM 72 N THR A 5 8.911 -6.072 9.143 1.00 0.33 N ATOM 73 CA THR A 5 9.108 -5.285 7.947 1.00 0.31 C ATOM 74 C THR A 5 10.535 -4.768 7.857 1.00 0.26 C ATOM 75 O THR A 5 11.277 -4.778 8.840 1.00 0.26 O ATOM 76 CB THR A 5 8.109 -4.103 7.900 1.00 0.36 C ATOM 77 OG1 THR A 5 8.742 -2.899 8.349 1.00 0.37 O ATOM 78 CG2 THR A 5 6.896 -4.384 8.779 1.00 0.41 C ATOM 0 H THR A 5 8.761 -5.525 9.991 1.00 0.33 H new ATOM 0 HA THR A 5 8.926 -5.934 7.090 1.00 0.31 H new ATOM 0 HB THR A 5 7.782 -3.983 6.867 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.681 -2.216 7.649 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.208 -3.540 8.730 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.392 -5.284 8.427 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.219 -4.529 9.810 1.00 0.41 H new ATOM 86 N LEU A 6 10.908 -4.314 6.664 1.00 0.24 N ATOM 87 CA LEU A 6 12.242 -3.779 6.422 1.00 0.20 C ATOM 88 C LEU A 6 12.475 -2.514 7.244 1.00 0.21 C ATOM 89 O LEU A 6 13.613 -2.095 7.438 1.00 0.20 O ATOM 90 CB LEU A 6 12.463 -3.511 4.924 1.00 0.21 C ATOM 91 CG LEU A 6 11.868 -2.215 4.356 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.206 -2.090 2.879 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.361 -2.159 4.554 1.00 0.29 C ATOM 0 H LEU A 6 10.300 -4.307 5.845 1.00 0.24 H new ATOM 0 HA LEU A 6 12.969 -4.526 6.739 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.537 -3.503 4.735 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.048 -4.349 4.364 1.00 0.21 H new ATOM 0 HG LEU A 6 12.307 -1.379 4.900 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.780 -1.167 2.485 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.289 -2.072 2.754 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.792 -2.941 2.338 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.974 -1.228 4.140 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.896 -3.003 4.046 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.132 -2.205 5.619 1.00 0.29 H new ATOM 105 N TYR A 7 11.388 -1.924 7.740 1.00 0.25 N ATOM 106 CA TYR A 7 11.478 -0.721 8.554 1.00 0.28 C ATOM 107 C TYR A 7 11.951 -1.095 9.948 1.00 0.28 C ATOM 108 O TYR A 7 12.678 -0.342 10.599 1.00 0.30 O ATOM 109 CB TYR A 7 10.118 -0.016 8.650 1.00 0.34 C ATOM 110 CG TYR A 7 9.553 0.472 7.332 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.221 1.426 6.578 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.336 -0.003 6.853 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.700 1.890 5.386 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.806 0.461 5.662 1.00 0.44 C ATOM 115 CZ TYR A 7 8.494 1.408 4.935 1.00 0.44 C ATOM 116 OH TYR A 7 7.970 1.878 3.754 1.00 0.49 O ATOM 0 H TYR A 7 10.437 -2.262 7.590 1.00 0.25 H new ATOM 0 HA TYR A 7 12.187 -0.038 8.085 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.402 -0.702 9.103 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.214 0.835 9.324 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.166 1.813 6.930 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.796 -0.746 7.420 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.238 2.629 4.810 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.859 0.083 5.305 1.00 0.44 H new ATOM 0 HH TYR A 7 7.114 1.435 3.577 1.00 0.49 H new ATOM 126 N ASP A 8 11.543 -2.278 10.393 1.00 0.28 N ATOM 127 CA ASP A 8 11.928 -2.766 11.710 1.00 0.29 C ATOM 128 C ASP A 8 13.404 -3.138 11.706 1.00 0.24 C ATOM 129 O ASP A 8 14.135 -2.862 12.659 1.00 0.25 O ATOM 130 CB ASP A 8 11.087 -3.977 12.096 1.00 0.35 C ATOM 131 CG ASP A 8 10.671 -3.964 13.552 1.00 0.93 C ATOM 132 OD1 ASP A 8 11.447 -3.474 14.401 1.00 1.75 O ATOM 133 OD2 ASP A 8 9.561 -4.450 13.853 1.00 1.51 O ATOM 0 H ASP A 8 10.948 -2.914 9.863 1.00 0.28 H new ATOM 0 HA ASP A 8 11.756 -1.977 12.442 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.196 -4.009 11.469 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.653 -4.886 11.893 1.00 0.35 H new ATOM 138 N VAL A 9 13.838 -3.748 10.608 1.00 0.21 N ATOM 139 CA VAL A 9 15.230 -4.152 10.461 1.00 0.19 C ATOM 140 C VAL A 9 16.111 -2.921 10.347 1.00 0.18 C ATOM 141 O VAL A 9 17.199 -2.863 10.914 1.00 0.20 O ATOM 142 CB VAL A 9 15.432 -5.042 9.223 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.853 -5.571 9.158 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.439 -6.181 9.238 1.00 0.22 C ATOM 0 H VAL A 9 13.246 -3.973 9.808 1.00 0.21 H new ATOM 0 HA VAL A 9 15.506 -4.729 11.343 1.00 0.19 H new ATOM 0 HB VAL A 9 15.261 -4.438 8.332 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.968 -6.197 8.273 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.550 -4.735 9.104 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.063 -6.161 10.050 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.589 -6.806 8.358 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.585 -6.779 10.137 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.425 -5.780 9.230 1.00 0.22 H new ATOM 154 N ALA A 10 15.619 -1.935 9.612 1.00 0.19 N ATOM 155 CA ALA A 10 16.329 -0.678 9.430 1.00 0.22 C ATOM 156 C ALA A 10 16.544 0.003 10.773 1.00 0.26 C ATOM 157 O ALA A 10 17.602 0.571 11.037 1.00 0.30 O ATOM 158 CB ALA A 10 15.557 0.240 8.490 1.00 0.26 C ATOM 0 H ALA A 10 14.722 -1.983 9.128 1.00 0.19 H new ATOM 0 HA ALA A 10 17.301 -0.890 8.984 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.103 1.175 8.365 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.442 -0.245 7.521 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.573 0.447 8.911 1.00 0.26 H new ATOM 164 N GLU A 11 15.535 -0.090 11.626 1.00 0.29 N ATOM 165 CA GLU A 11 15.587 0.506 12.951 1.00 0.35 C ATOM 166 C GLU A 11 16.505 -0.301 13.864 1.00 0.37 C ATOM 167 O GLU A 11 17.125 0.239 14.781 1.00 0.46 O ATOM 168 CB GLU A 11 14.178 0.563 13.538 1.00 0.37 C ATOM 169 CG GLU A 11 14.036 1.482 14.739 1.00 0.94 C ATOM 170 CD GLU A 11 12.588 1.686 15.135 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.935 2.590 14.571 1.00 2.21 O ATOM 172 OE2 GLU A 11 12.093 0.941 16.007 1.00 2.14 O ATOM 0 H GLU A 11 14.663 -0.577 11.421 1.00 0.29 H new ATOM 0 HA GLU A 11 15.987 1.517 12.871 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.487 0.890 12.761 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.877 -0.444 13.828 1.00 0.37 H new ATOM 0 HG2 GLU A 11 14.586 1.063 15.582 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.488 2.447 14.511 1.00 0.94 H new ATOM 179 N TYR A 12 16.604 -1.594 13.586 1.00 0.32 N ATOM 180 CA TYR A 12 17.433 -2.489 14.376 1.00 0.38 C ATOM 181 C TYR A 12 18.904 -2.370 13.987 1.00 0.38 C ATOM 182 O TYR A 12 19.788 -2.408 14.845 1.00 0.45 O ATOM 183 CB TYR A 12 16.960 -3.935 14.197 1.00 0.39 C ATOM 184 CG TYR A 12 17.252 -4.827 15.386 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.537 -5.285 15.643 1.00 1.10 C ATOM 186 CD2 TYR A 12 16.238 -5.206 16.253 1.00 1.38 C ATOM 187 CE1 TYR A 12 18.802 -6.093 16.732 1.00 1.07 C ATOM 188 CE2 TYR A 12 16.491 -6.015 17.341 1.00 1.49 C ATOM 189 CZ TYR A 12 17.774 -6.456 17.579 1.00 0.69 C ATOM 190 OH TYR A 12 18.032 -7.259 18.669 1.00 0.82 O ATOM 0 H TYR A 12 16.116 -2.047 12.813 1.00 0.32 H new ATOM 0 HA TYR A 12 17.336 -2.203 15.423 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.886 -3.935 14.010 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.438 -4.357 13.313 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.343 -5.005 14.981 1.00 1.10 H new ATOM 0 HD2 TYR A 12 15.231 -4.861 16.073 1.00 1.38 H new ATOM 0 HE1 TYR A 12 19.808 -6.439 16.920 1.00 1.07 H new ATOM 0 HE2 TYR A 12 15.687 -6.301 18.003 1.00 1.49 H new ATOM 0 HH TYR A 12 17.200 -7.419 19.162 1.00 0.82 H new ATOM 200 N ALA A 13 19.163 -2.207 12.697 1.00 0.33 N ATOM 201 CA ALA A 13 20.528 -2.112 12.199 1.00 0.36 C ATOM 202 C ALA A 13 21.026 -0.674 12.212 1.00 0.39 C ATOM 203 O ALA A 13 22.221 -0.421 12.073 1.00 0.46 O ATOM 204 CB ALA A 13 20.608 -2.674 10.791 1.00 0.33 C ATOM 0 H ALA A 13 18.445 -2.138 11.976 1.00 0.33 H new ATOM 0 HA ALA A 13 21.167 -2.696 12.861 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.633 -2.599 10.427 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.302 -3.720 10.799 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.947 -2.107 10.135 1.00 0.33 H new ATOM 210 N GLY A 14 20.096 0.263 12.361 1.00 0.38 N ATOM 211 CA GLY A 14 20.457 1.667 12.378 1.00 0.43 C ATOM 212 C GLY A 14 20.712 2.184 10.981 1.00 0.43 C ATOM 213 O GLY A 14 21.636 2.961 10.751 1.00 0.52 O ATOM 0 H GLY A 14 19.099 0.075 12.470 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.658 2.245 12.842 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.348 1.808 12.989 1.00 0.43 H new ATOM 217 N VAL A 15 19.883 1.740 10.045 1.00 0.35 N ATOM 218 CA VAL A 15 20.000 2.130 8.648 1.00 0.35 C ATOM 219 C VAL A 15 18.634 2.498 8.104 1.00 0.34 C ATOM 220 O VAL A 15 17.676 2.620 8.861 1.00 0.36 O ATOM 221 CB VAL A 15 20.579 0.980 7.787 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.010 0.678 8.181 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.730 -0.277 7.920 1.00 0.28 C ATOM 0 H VAL A 15 19.112 1.100 10.234 1.00 0.35 H new ATOM 0 HA VAL A 15 20.676 2.984 8.598 1.00 0.35 H new ATOM 0 HB VAL A 15 20.564 1.305 6.747 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.394 -0.133 7.562 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.623 1.567 8.035 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.044 0.382 9.229 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.156 -1.071 7.306 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.711 -0.595 8.962 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.714 -0.067 7.586 1.00 0.28 H new ATOM 233 N SER A 16 18.549 2.688 6.797 1.00 0.35 N ATOM 234 CA SER A 16 17.286 3.007 6.165 1.00 0.35 C ATOM 235 C SER A 16 16.665 1.742 5.587 1.00 0.32 C ATOM 236 O SER A 16 17.368 0.767 5.320 1.00 0.32 O ATOM 237 CB SER A 16 17.495 4.048 5.074 1.00 0.40 C ATOM 238 OG SER A 16 18.290 5.120 5.549 1.00 1.26 O ATOM 0 H SER A 16 19.341 2.626 6.157 1.00 0.35 H new ATOM 0 HA SER A 16 16.606 3.421 6.910 1.00 0.35 H new ATOM 0 HB2 SER A 16 17.976 3.586 4.212 1.00 0.40 H new ATOM 0 HB3 SER A 16 16.530 4.426 4.736 1.00 0.40 H new ATOM 0 HG SER A 16 18.414 5.777 4.833 1.00 1.26 H new ATOM 244 N TYR A 17 15.350 1.754 5.415 1.00 0.32 N ATOM 245 CA TYR A 17 14.639 0.610 4.855 1.00 0.30 C ATOM 246 C TYR A 17 15.173 0.266 3.468 1.00 0.31 C ATOM 247 O TYR A 17 15.251 -0.906 3.098 1.00 0.30 O ATOM 248 CB TYR A 17 13.132 0.876 4.801 1.00 0.33 C ATOM 249 CG TYR A 17 12.745 2.087 3.988 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.834 3.363 4.528 1.00 1.27 C ATOM 251 CD2 TYR A 17 12.286 1.956 2.685 1.00 1.14 C ATOM 252 CE1 TYR A 17 12.479 4.472 3.795 1.00 1.32 C ATOM 253 CE2 TYR A 17 11.928 3.064 1.940 1.00 1.16 C ATOM 254 CZ TYR A 17 12.026 4.318 2.501 1.00 0.54 C ATOM 255 OH TYR A 17 11.680 5.425 1.772 1.00 0.65 O ATOM 0 H TYR A 17 14.752 2.545 5.655 1.00 0.32 H new ATOM 0 HA TYR A 17 14.810 -0.245 5.509 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.635 -0.000 4.385 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.760 1.001 5.818 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.188 3.487 5.541 1.00 1.27 H new ATOM 0 HD2 TYR A 17 12.207 0.972 2.246 1.00 1.14 H new ATOM 0 HE1 TYR A 17 12.555 5.458 4.230 1.00 1.32 H new ATOM 0 HE2 TYR A 17 11.574 2.947 0.926 1.00 1.16 H new ATOM 0 HH TYR A 17 11.382 5.149 0.880 1.00 0.65 H new ATOM 265 N GLN A 18 15.549 1.289 2.703 1.00 0.35 N ATOM 266 CA GLN A 18 16.109 1.071 1.376 1.00 0.37 C ATOM 267 C GLN A 18 17.435 0.332 1.502 1.00 0.33 C ATOM 268 O GLN A 18 17.784 -0.487 0.656 1.00 0.34 O ATOM 269 CB GLN A 18 16.307 2.397 0.636 1.00 0.46 C ATOM 270 CG GLN A 18 17.103 2.280 -0.658 1.00 0.77 C ATOM 271 CD GLN A 18 16.373 1.493 -1.733 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.679 2.064 -2.568 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.530 0.180 -1.721 1.00 1.09 N ATOM 0 H GLN A 18 15.476 2.268 2.978 1.00 0.35 H new ATOM 0 HA GLN A 18 15.410 0.468 0.796 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.329 2.823 0.410 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.815 3.097 1.299 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.325 3.279 -1.034 1.00 0.77 H new ATOM 0 HG3 GLN A 18 18.058 1.799 -0.449 1.00 0.77 H new ATOM 0 HE21 GLN A 18 17.116 -0.257 -1.010 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.065 -0.396 -2.423 1.00 1.09 H new ATOM 282 N THR A 19 18.153 0.619 2.580 1.00 0.33 N ATOM 283 CA THR A 19 19.426 -0.020 2.850 1.00 0.34 C ATOM 284 C THR A 19 19.196 -1.486 3.163 1.00 0.29 C ATOM 285 O THR A 19 19.912 -2.362 2.679 1.00 0.31 O ATOM 286 CB THR A 19 20.130 0.669 4.026 1.00 0.39 C ATOM 287 OG1 THR A 19 20.011 2.087 3.866 1.00 0.49 O ATOM 288 CG2 THR A 19 21.594 0.271 4.098 1.00 0.45 C ATOM 0 H THR A 19 17.868 1.298 3.286 1.00 0.33 H new ATOM 0 HA THR A 19 20.064 0.066 1.970 1.00 0.34 H new ATOM 0 HB THR A 19 19.657 0.356 4.957 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.586 2.539 4.518 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.067 0.775 4.941 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.672 -0.808 4.230 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.096 0.560 3.175 1.00 0.45 H new ATOM 296 N VAL A 20 18.173 -1.737 3.969 1.00 0.25 N ATOM 297 CA VAL A 20 17.790 -3.091 4.329 1.00 0.21 C ATOM 298 C VAL A 20 17.425 -3.880 3.079 1.00 0.20 C ATOM 299 O VAL A 20 17.985 -4.942 2.825 1.00 0.24 O ATOM 300 CB VAL A 20 16.596 -3.091 5.300 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.090 -4.500 5.555 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.982 -2.428 6.604 1.00 0.24 C ATOM 0 H VAL A 20 17.590 -1.012 4.388 1.00 0.25 H new ATOM 0 HA VAL A 20 18.641 -3.559 4.824 1.00 0.21 H new ATOM 0 HB VAL A 20 15.788 -2.524 4.838 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.247 -4.465 6.245 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.770 -4.948 4.614 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.889 -5.100 5.990 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.129 -2.435 7.282 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.810 -2.972 7.058 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.286 -1.399 6.413 1.00 0.24 H new ATOM 312 N SER A 21 16.504 -3.337 2.290 1.00 0.22 N ATOM 313 CA SER A 21 16.064 -3.980 1.057 1.00 0.25 C ATOM 314 C SER A 21 17.233 -4.129 0.087 1.00 0.27 C ATOM 315 O SER A 21 17.287 -5.079 -0.696 1.00 0.32 O ATOM 316 CB SER A 21 14.933 -3.167 0.417 1.00 0.32 C ATOM 317 OG SER A 21 14.387 -3.826 -0.717 1.00 0.87 O ATOM 0 H SER A 21 16.045 -2.447 2.484 1.00 0.22 H new ATOM 0 HA SER A 21 15.688 -4.975 1.294 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.147 -2.997 1.152 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.311 -2.188 0.122 1.00 0.32 H new ATOM 0 HG SER A 21 13.668 -3.280 -1.098 1.00 0.87 H new ATOM 323 N ARG A 22 18.177 -3.199 0.166 1.00 0.30 N ATOM 324 CA ARG A 22 19.360 -3.228 -0.678 1.00 0.40 C ATOM 325 C ARG A 22 20.160 -4.493 -0.374 1.00 0.39 C ATOM 326 O ARG A 22 20.683 -5.153 -1.272 1.00 0.58 O ATOM 327 CB ARG A 22 20.212 -1.975 -0.428 1.00 0.51 C ATOM 328 CG ARG A 22 21.085 -1.568 -1.602 1.00 0.82 C ATOM 329 CD ARG A 22 20.248 -1.169 -2.807 1.00 0.75 C ATOM 330 NE ARG A 22 19.882 0.249 -2.800 1.00 0.73 N ATOM 331 CZ ARG A 22 19.221 0.842 -3.798 1.00 1.18 C ATOM 332 NH1 ARG A 22 18.871 0.136 -4.867 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.913 2.139 -3.740 1.00 1.28 N ATOM 0 H ARG A 22 18.143 -2.410 0.812 1.00 0.30 H new ATOM 0 HA ARG A 22 19.065 -3.236 -1.727 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.552 -1.145 -0.177 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.848 -2.150 0.439 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.724 -0.735 -1.310 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.742 -2.395 -1.872 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.803 -1.392 -3.719 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.341 -1.773 -2.830 1.00 0.75 H new ATOM 0 HE ARG A 22 20.145 0.813 -1.992 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.107 -0.855 -4.924 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.366 0.584 -5.631 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.183 2.691 -2.926 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.408 2.578 -4.510 1.00 1.28 H new ATOM 347 N VAL A 23 20.191 -4.845 0.909 1.00 0.29 N ATOM 348 CA VAL A 23 20.904 -6.021 1.374 1.00 0.33 C ATOM 349 C VAL A 23 20.067 -7.274 1.143 1.00 0.34 C ATOM 350 O VAL A 23 20.586 -8.311 0.749 1.00 0.43 O ATOM 351 CB VAL A 23 21.248 -5.904 2.874 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.981 -7.141 3.363 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.067 -4.655 3.130 1.00 0.33 C ATOM 0 H VAL A 23 19.723 -4.322 1.649 1.00 0.29 H new ATOM 0 HA VAL A 23 21.832 -6.094 0.806 1.00 0.33 H new ATOM 0 HB VAL A 23 20.316 -5.827 3.434 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.211 -7.032 4.423 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.351 -8.019 3.217 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.907 -7.261 2.801 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.302 -4.586 4.192 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.992 -4.703 2.556 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.496 -3.777 2.827 1.00 0.33 H new ATOM 363 N VAL A 24 18.764 -7.166 1.400 1.00 0.29 N ATOM 364 CA VAL A 24 17.843 -8.286 1.211 1.00 0.32 C ATOM 365 C VAL A 24 17.853 -8.766 -0.240 1.00 0.34 C ATOM 366 O VAL A 24 17.870 -9.969 -0.507 1.00 0.41 O ATOM 367 CB VAL A 24 16.396 -7.906 1.610 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.447 -9.072 1.379 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.337 -7.457 3.061 1.00 0.35 C ATOM 0 H VAL A 24 18.322 -6.312 1.740 1.00 0.29 H new ATOM 0 HA VAL A 24 18.187 -9.091 1.860 1.00 0.32 H new ATOM 0 HB VAL A 24 16.081 -7.075 0.978 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.437 -8.781 1.666 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.459 -9.348 0.324 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.764 -9.924 1.980 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.311 -7.195 3.319 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.678 -8.266 3.706 1.00 0.35 H new ATOM 0 HG23 VAL A 24 16.979 -6.587 3.199 1.00 0.35 H new ATOM 379 N ASN A 25 17.849 -7.826 -1.171 1.00 0.33 N ATOM 380 CA ASN A 25 17.863 -8.157 -2.594 1.00 0.42 C ATOM 381 C ASN A 25 19.235 -8.660 -3.030 1.00 0.76 C ATOM 382 O ASN A 25 19.343 -9.455 -3.970 1.00 0.94 O ATOM 383 CB ASN A 25 17.471 -6.942 -3.438 1.00 0.83 C ATOM 384 CG ASN A 25 15.966 -6.729 -3.499 1.00 1.11 C ATOM 385 OD1 ASN A 25 15.285 -7.279 -4.361 1.00 1.72 O ATOM 386 ND2 ASN A 25 15.443 -5.918 -2.593 1.00 1.15 N ATOM 0 H ASN A 25 17.836 -6.826 -0.971 1.00 0.33 H new ATOM 0 HA ASN A 25 17.134 -8.952 -2.751 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.943 -6.051 -3.025 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.857 -7.068 -4.450 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.440 -5.731 -2.594 1.00 1.15 H new ATOM 0 HD22 ASN A 25 16.043 -5.480 -1.893 1.00 1.15 H new ATOM 393 N GLN A 26 20.279 -8.205 -2.327 1.00 1.08 N ATOM 394 CA GLN A 26 21.660 -8.582 -2.638 1.00 1.58 C ATOM 395 C GLN A 26 22.006 -8.142 -4.054 1.00 1.10 C ATOM 396 O GLN A 26 22.654 -8.864 -4.811 1.00 1.64 O ATOM 397 CB GLN A 26 21.867 -10.094 -2.487 1.00 2.64 C ATOM 398 CG GLN A 26 21.672 -10.597 -1.063 1.00 3.42 C ATOM 399 CD GLN A 26 22.802 -10.197 -0.129 1.00 4.28 C ATOM 400 OE1 GLN A 26 23.505 -9.210 -0.357 1.00 4.88 O ATOM 401 NE2 GLN A 26 22.982 -10.963 0.938 1.00 4.73 N ATOM 0 H GLN A 26 20.190 -7.570 -1.533 1.00 1.08 H new ATOM 0 HA GLN A 26 22.322 -8.081 -1.932 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.172 -10.615 -3.146 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.873 -10.349 -2.819 1.00 2.64 H new ATOM 0 HG2 GLN A 26 20.731 -10.209 -0.673 1.00 3.42 H new ATOM 0 HG3 GLN A 26 21.587 -11.684 -1.076 1.00 3.42 H new ATOM 0 HE21 GLN A 26 22.380 -11.772 1.093 1.00 4.73 H new ATOM 0 HE22 GLN A 26 23.723 -10.744 1.604 1.00 4.73 H new ATOM 410 N ALA A 27 21.565 -6.939 -4.394 1.00 0.83 N ATOM 411 CA ALA A 27 21.783 -6.380 -5.715 1.00 1.50 C ATOM 412 C ALA A 27 22.905 -5.346 -5.699 1.00 1.34 C ATOM 413 O ALA A 27 23.883 -5.504 -4.970 1.00 2.01 O ATOM 414 CB ALA A 27 20.483 -5.778 -6.224 1.00 2.27 C ATOM 0 H ALA A 27 21.048 -6.327 -3.762 1.00 0.83 H new ATOM 0 HA ALA A 27 22.095 -7.175 -6.392 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.641 -5.356 -7.217 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.719 -6.554 -6.277 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.155 -4.992 -5.544 1.00 2.27 H new ATOM 420 N SER A 28 22.767 -4.298 -6.506 1.00 1.04 N ATOM 421 CA SER A 28 23.773 -3.246 -6.576 1.00 0.84 C ATOM 422 C SER A 28 23.577 -2.205 -5.468 1.00 0.71 C ATOM 423 O SER A 28 22.565 -2.218 -4.765 1.00 0.73 O ATOM 424 CB SER A 28 23.720 -2.586 -7.953 1.00 0.91 C ATOM 425 OG SER A 28 23.992 -3.537 -8.972 1.00 1.52 O ATOM 0 H SER A 28 21.966 -4.156 -7.121 1.00 1.04 H new ATOM 0 HA SER A 28 24.755 -3.694 -6.426 1.00 0.84 H new ATOM 0 HB2 SER A 28 22.737 -2.144 -8.113 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.446 -1.774 -8.002 1.00 0.91 H new ATOM 0 HG SER A 28 23.952 -3.099 -9.848 1.00 1.52 H new ATOM 431 N HIS A 29 24.545 -1.291 -5.340 1.00 0.61 N ATOM 432 CA HIS A 29 24.534 -0.235 -4.323 1.00 0.53 C ATOM 433 C HIS A 29 24.566 -0.796 -2.900 1.00 0.59 C ATOM 434 O HIS A 29 23.991 -0.199 -1.992 1.00 0.76 O ATOM 435 CB HIS A 29 23.330 0.703 -4.406 1.00 0.50 C ATOM 436 CG HIS A 29 22.839 1.109 -5.757 1.00 0.50 C ATOM 437 ND1 HIS A 29 23.220 0.787 -7.017 1.00 0.46 N flip ATOM 438 CD2 HIS A 29 21.810 2.007 -5.889 1.00 0.64 C flip ATOM 439 CE1 HIS A 29 22.413 1.500 -7.872 1.00 0.53 C flip ATOM 440 NE2 HIS A 29 21.574 2.225 -7.157 1.00 0.63 N flip ATOM 0 H HIS A 29 25.366 -1.264 -5.945 1.00 0.61 H new ATOM 0 HA HIS A 29 25.440 0.330 -4.540 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.502 0.228 -3.881 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.578 1.611 -3.856 1.00 0.50 H new ATOM 0 HD2 HIS A 29 21.276 2.465 -5.070 1.00 0.64 H new ATOM 0 HE1 HIS A 29 22.458 1.471 -8.951 1.00 0.53 H new ATOM 0 HE2 HIS A 29 20.861 2.851 -7.531 1.00 0.63 H new ATOM 449 N VAL A 30 25.233 -1.921 -2.689 1.00 0.66 N ATOM 450 CA VAL A 30 25.300 -2.496 -1.356 1.00 0.76 C ATOM 451 C VAL A 30 26.733 -2.609 -0.873 1.00 0.72 C ATOM 452 O VAL A 30 27.543 -3.320 -1.467 1.00 0.78 O ATOM 453 CB VAL A 30 24.655 -3.891 -1.272 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.225 -4.181 0.158 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.476 -4.004 -2.215 1.00 1.16 C ATOM 0 H VAL A 30 25.727 -2.446 -3.411 1.00 0.66 H new ATOM 0 HA VAL A 30 24.739 -1.812 -0.720 1.00 0.76 H new ATOM 0 HB VAL A 30 25.396 -4.631 -1.575 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.770 -5.170 0.208 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.095 -4.149 0.813 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.501 -3.432 0.479 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.040 -5.000 -2.135 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.727 -3.257 -1.952 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.811 -3.836 -3.238 1.00 1.16 H new ATOM 465 N SER A 31 27.034 -1.896 0.199 1.00 0.71 N ATOM 466 CA SER A 31 28.361 -1.936 0.788 1.00 0.76 C ATOM 467 C SER A 31 28.425 -3.077 1.792 1.00 0.83 C ATOM 468 O SER A 31 27.408 -3.435 2.398 1.00 1.30 O ATOM 469 CB SER A 31 28.691 -0.614 1.481 1.00 0.75 C ATOM 470 OG SER A 31 27.972 -0.478 2.696 1.00 0.74 O ATOM 0 H SER A 31 26.376 -1.282 0.679 1.00 0.71 H new ATOM 0 HA SER A 31 29.094 -2.095 -0.003 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.761 -0.563 1.681 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.450 0.217 0.818 1.00 0.75 H new ATOM 0 HG SER A 31 27.072 -0.849 2.587 1.00 0.74 H new ATOM 476 N ALA A 32 29.609 -3.645 1.974 1.00 0.86 N ATOM 477 CA ALA A 32 29.790 -4.751 2.905 1.00 0.86 C ATOM 478 C ALA A 32 29.519 -4.308 4.339 1.00 0.75 C ATOM 479 O ALA A 32 29.102 -5.107 5.175 1.00 0.69 O ATOM 480 CB ALA A 32 31.197 -5.317 2.787 1.00 1.06 C ATOM 0 H ALA A 32 30.459 -3.358 1.489 1.00 0.86 H new ATOM 0 HA ALA A 32 29.073 -5.531 2.648 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.317 -6.142 3.489 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.360 -5.677 1.771 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.923 -4.537 3.016 1.00 1.06 H new ATOM 486 N LYS A 33 29.725 -3.020 4.597 1.00 0.80 N ATOM 487 CA LYS A 33 29.521 -2.450 5.923 1.00 0.78 C ATOM 488 C LYS A 33 28.071 -2.582 6.372 1.00 0.67 C ATOM 489 O LYS A 33 27.796 -3.078 7.465 1.00 0.69 O ATOM 490 CB LYS A 33 29.920 -0.976 5.933 1.00 0.94 C ATOM 491 CG LYS A 33 31.236 -0.693 5.227 1.00 1.53 C ATOM 492 CD LYS A 33 31.752 0.697 5.552 1.00 1.99 C ATOM 493 CE LYS A 33 30.868 1.788 4.959 1.00 2.99 C ATOM 494 NZ LYS A 33 31.252 3.143 5.442 1.00 3.39 N ATOM 0 H LYS A 33 30.036 -2.346 3.897 1.00 0.80 H new ATOM 0 HA LYS A 33 30.150 -3.007 6.618 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.131 -0.392 5.459 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.992 -0.635 6.966 1.00 0.94 H new ATOM 0 HG2 LYS A 33 31.977 -1.436 5.523 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.101 -0.790 4.150 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.804 0.821 6.634 1.00 1.99 H new ATOM 0 HD3 LYS A 33 32.767 0.805 5.170 1.00 1.99 H new ATOM 0 HE2 LYS A 33 30.936 1.758 3.872 1.00 2.99 H new ATOM 0 HE3 LYS A 33 29.828 1.592 5.219 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 30.626 3.854 5.014 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 31.163 3.181 6.477 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 32.237 3.342 5.172 1.00 3.39 H new ATOM 508 N THR A 34 27.144 -2.130 5.536 1.00 0.61 N ATOM 509 CA THR A 34 25.729 -2.205 5.870 1.00 0.54 C ATOM 510 C THR A 34 25.180 -3.606 5.648 1.00 0.51 C ATOM 511 O THR A 34 24.262 -4.038 6.341 1.00 0.49 O ATOM 512 CB THR A 34 24.907 -1.193 5.054 1.00 0.53 C ATOM 513 OG1 THR A 34 25.452 -1.077 3.727 1.00 0.65 O ATOM 514 CG2 THR A 34 24.904 0.166 5.744 1.00 0.56 C ATOM 0 H THR A 34 27.345 -1.711 4.628 1.00 0.61 H new ATOM 0 HA THR A 34 25.640 -1.958 6.928 1.00 0.54 H new ATOM 0 HB THR A 34 23.879 -1.548 4.985 1.00 0.53 H new ATOM 0 HG1 THR A 34 24.924 -0.432 3.212 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.318 0.872 5.155 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.464 0.069 6.737 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.927 0.530 5.835 1.00 0.56 H new ATOM 522 N ARG A 35 25.764 -4.324 4.701 1.00 0.51 N ATOM 523 CA ARG A 35 25.329 -5.677 4.383 1.00 0.51 C ATOM 524 C ARG A 35 25.446 -6.584 5.602 1.00 0.52 C ATOM 525 O ARG A 35 24.556 -7.382 5.888 1.00 0.52 O ATOM 526 CB ARG A 35 26.169 -6.225 3.231 1.00 0.53 C ATOM 527 CG ARG A 35 25.559 -7.419 2.523 1.00 0.70 C ATOM 528 CD ARG A 35 26.415 -7.836 1.339 1.00 0.79 C ATOM 529 NE ARG A 35 25.995 -9.106 0.762 1.00 1.64 N ATOM 530 CZ ARG A 35 26.624 -10.257 0.971 1.00 2.19 C ATOM 531 NH1 ARG A 35 27.649 -10.317 1.813 1.00 2.09 N ATOM 532 NH2 ARG A 35 26.208 -11.357 0.357 1.00 3.31 N ATOM 0 H ARG A 35 26.545 -3.991 4.136 1.00 0.51 H new ATOM 0 HA ARG A 35 24.281 -5.649 4.084 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.329 -5.429 2.503 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.149 -6.507 3.615 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.463 -8.252 3.220 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.554 -7.171 2.182 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.371 -7.061 0.573 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.455 -7.912 1.656 1.00 0.79 H new ATOM 0 HE ARG A 35 25.170 -9.112 0.163 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.957 -9.477 2.303 1.00 2.09 H new ATOM 0 HH12 ARG A 35 28.129 -11.203 1.970 1.00 2.09 H new ATOM 0 HH21 ARG A 35 25.407 -11.317 -0.274 1.00 3.31 H new ATOM 0 HH22 ARG A 35 26.689 -12.242 0.515 1.00 3.31 H new ATOM 546 N GLU A 36 26.530 -6.418 6.339 1.00 0.56 N ATOM 547 CA GLU A 36 26.786 -7.235 7.513 1.00 0.58 C ATOM 548 C GLU A 36 25.967 -6.813 8.730 1.00 0.54 C ATOM 549 O GLU A 36 25.751 -7.615 9.637 1.00 0.61 O ATOM 550 CB GLU A 36 28.265 -7.197 7.855 1.00 0.67 C ATOM 551 CG GLU A 36 29.132 -7.784 6.766 1.00 0.70 C ATOM 552 CD GLU A 36 30.598 -7.819 7.148 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.001 -8.739 7.891 1.00 1.39 O ATOM 554 OE2 GLU A 36 31.354 -6.929 6.713 1.00 1.45 O ATOM 0 H GLU A 36 27.250 -5.722 6.145 1.00 0.56 H new ATOM 0 HA GLU A 36 26.479 -8.250 7.261 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.565 -6.165 8.036 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.433 -7.745 8.782 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.794 -8.796 6.542 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.011 -7.199 5.854 1.00 0.70 H new ATOM 561 N LYS A 37 25.499 -5.571 8.758 1.00 0.49 N ATOM 562 CA LYS A 37 24.727 -5.102 9.902 1.00 0.47 C ATOM 563 C LYS A 37 23.237 -5.327 9.681 1.00 0.39 C ATOM 564 O LYS A 37 22.481 -5.499 10.637 1.00 0.38 O ATOM 565 CB LYS A 37 25.018 -3.628 10.216 1.00 0.52 C ATOM 566 CG LYS A 37 24.682 -2.653 9.102 1.00 0.86 C ATOM 567 CD LYS A 37 24.681 -1.217 9.606 1.00 0.84 C ATOM 568 CE LYS A 37 26.049 -0.796 10.115 1.00 0.73 C ATOM 569 NZ LYS A 37 25.962 0.326 11.091 1.00 0.98 N ATOM 0 H LYS A 37 25.636 -4.883 8.018 1.00 0.49 H new ATOM 0 HA LYS A 37 25.036 -5.688 10.768 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.457 -3.345 11.107 1.00 0.52 H new ATOM 0 HB3 LYS A 37 26.076 -3.527 10.460 1.00 0.52 H new ATOM 0 HG2 LYS A 37 25.406 -2.757 8.294 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.704 -2.895 8.686 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.372 -0.550 8.802 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.948 -1.113 10.406 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.538 -1.649 10.586 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.672 -0.496 9.273 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 26.918 0.581 11.413 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.519 1.149 10.635 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.389 0.032 11.908 1.00 0.98 H new ATOM 583 N VAL A 38 22.819 -5.348 8.427 1.00 0.36 N ATOM 584 CA VAL A 38 21.415 -5.564 8.108 1.00 0.31 C ATOM 585 C VAL A 38 21.059 -7.041 8.238 1.00 0.32 C ATOM 586 O VAL A 38 20.048 -7.396 8.846 1.00 0.31 O ATOM 587 CB VAL A 38 21.068 -5.063 6.694 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.639 -5.425 6.327 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.266 -3.561 6.609 1.00 0.30 C ATOM 0 H VAL A 38 23.425 -5.219 7.617 1.00 0.36 H new ATOM 0 HA VAL A 38 20.827 -4.988 8.822 1.00 0.31 H new ATOM 0 HB VAL A 38 21.737 -5.550 5.984 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.417 -5.061 5.324 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.520 -6.508 6.354 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.953 -4.966 7.039 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.018 -3.218 5.605 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.617 -3.067 7.332 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.306 -3.318 6.829 1.00 0.30 H new ATOM 599 N GLU A 39 21.916 -7.900 7.698 1.00 0.36 N ATOM 600 CA GLU A 39 21.690 -9.338 7.759 1.00 0.39 C ATOM 601 C GLU A 39 21.787 -9.830 9.197 1.00 0.41 C ATOM 602 O GLU A 39 21.196 -10.848 9.559 1.00 0.43 O ATOM 603 CB GLU A 39 22.690 -10.080 6.875 1.00 0.44 C ATOM 604 CG GLU A 39 22.364 -10.006 5.392 1.00 0.55 C ATOM 605 CD GLU A 39 23.268 -10.888 4.560 1.00 0.82 C ATOM 606 OE1 GLU A 39 22.992 -12.102 4.468 1.00 1.59 O ATOM 607 OE2 GLU A 39 24.260 -10.377 4.004 1.00 1.44 O ATOM 0 H GLU A 39 22.771 -7.626 7.214 1.00 0.36 H new ATOM 0 HA GLU A 39 20.686 -9.543 7.387 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.685 -9.667 7.041 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.725 -11.126 7.179 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.327 -10.302 5.235 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.455 -8.974 5.053 1.00 0.55 H new ATOM 614 N ALA A 40 22.523 -9.094 10.020 1.00 0.43 N ATOM 615 CA ALA A 40 22.680 -9.447 11.420 1.00 0.46 C ATOM 616 C ALA A 40 21.480 -8.972 12.231 1.00 0.41 C ATOM 617 O ALA A 40 21.105 -9.591 13.222 1.00 0.43 O ATOM 618 CB ALA A 40 23.955 -8.838 11.975 1.00 0.52 C ATOM 0 H ALA A 40 23.020 -8.249 9.739 1.00 0.43 H new ATOM 0 HA ALA A 40 22.743 -10.533 11.495 1.00 0.46 H new ATOM 0 HB1 ALA A 40 24.061 -9.110 13.025 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.811 -9.213 11.415 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.909 -7.753 11.884 1.00 0.52 H new ATOM 624 N ALA A 41 20.873 -7.870 11.796 1.00 0.37 N ATOM 625 CA ALA A 41 19.718 -7.309 12.486 1.00 0.34 C ATOM 626 C ALA A 41 18.461 -8.102 12.178 1.00 0.31 C ATOM 627 O ALA A 41 17.673 -8.394 13.074 1.00 0.34 O ATOM 628 CB ALA A 41 19.522 -5.853 12.098 1.00 0.31 C ATOM 0 H ALA A 41 21.163 -7.349 10.968 1.00 0.37 H new ATOM 0 HA ALA A 41 19.908 -7.368 13.558 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.655 -5.450 12.622 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.409 -5.281 12.370 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.361 -5.782 11.022 1.00 0.31 H new ATOM 634 N MET A 42 18.294 -8.463 10.908 1.00 0.28 N ATOM 635 CA MET A 42 17.131 -9.225 10.460 1.00 0.29 C ATOM 636 C MET A 42 17.122 -10.631 11.052 1.00 0.35 C ATOM 637 O MET A 42 16.119 -11.335 10.976 1.00 0.39 O ATOM 638 CB MET A 42 17.103 -9.304 8.928 1.00 0.27 C ATOM 639 CG MET A 42 18.225 -10.137 8.328 1.00 0.33 C ATOM 640 SD MET A 42 18.015 -10.439 6.562 1.00 0.35 S ATOM 641 CE MET A 42 18.312 -8.803 5.900 1.00 0.33 C ATOM 0 H MET A 42 18.956 -8.238 10.165 1.00 0.28 H new ATOM 0 HA MET A 42 16.240 -8.704 10.811 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.147 -9.722 8.614 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.158 -8.294 8.522 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.175 -9.629 8.493 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.279 -11.092 8.850 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.655 -8.885 4.869 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.388 -8.225 5.930 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.074 -8.302 6.497 1.00 0.33 H new ATOM 651 N ALA A 43 18.234 -11.029 11.651 1.00 0.40 N ATOM 652 CA ALA A 43 18.343 -12.347 12.253 1.00 0.47 C ATOM 653 C ALA A 43 17.929 -12.298 13.719 1.00 0.48 C ATOM 654 O ALA A 43 17.659 -13.324 14.341 1.00 0.53 O ATOM 655 CB ALA A 43 19.764 -12.861 12.119 1.00 0.52 C ATOM 0 H ALA A 43 19.074 -10.457 11.733 1.00 0.40 H new ATOM 0 HA ALA A 43 17.672 -13.029 11.731 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.838 -13.849 12.573 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.030 -12.925 11.064 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.447 -12.178 12.624 1.00 0.52 H new ATOM 661 N GLU A 44 17.872 -11.085 14.256 1.00 0.46 N ATOM 662 CA GLU A 44 17.509 -10.873 15.647 1.00 0.46 C ATOM 663 C GLU A 44 16.003 -10.802 15.820 1.00 0.45 C ATOM 664 O GLU A 44 15.409 -11.630 16.508 1.00 0.48 O ATOM 665 CB GLU A 44 18.141 -9.586 16.155 1.00 0.45 C ATOM 666 CG GLU A 44 19.651 -9.588 16.087 1.00 0.51 C ATOM 667 CD GLU A 44 20.271 -10.608 17.024 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.528 -10.262 18.196 1.00 1.21 O ATOM 669 OE2 GLU A 44 20.499 -11.761 16.600 1.00 1.36 O ATOM 0 H GLU A 44 18.075 -10.228 13.742 1.00 0.46 H new ATOM 0 HA GLU A 44 17.880 -11.720 16.224 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.760 -8.748 15.571 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.832 -9.422 17.187 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.966 -9.799 15.065 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.025 -8.595 16.337 1.00 0.51 H new ATOM 676 N LEU A 45 15.392 -9.815 15.179 1.00 0.42 N ATOM 677 CA LEU A 45 13.948 -9.619 15.271 1.00 0.44 C ATOM 678 C LEU A 45 13.166 -10.603 14.392 1.00 0.48 C ATOM 679 O LEU A 45 11.941 -10.528 14.313 1.00 0.52 O ATOM 680 CB LEU A 45 13.565 -8.146 14.974 1.00 0.49 C ATOM 681 CG LEU A 45 13.745 -7.592 13.539 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.266 -6.167 13.614 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.686 -8.423 12.686 1.00 1.88 C ATOM 0 H LEU A 45 15.873 -9.136 14.589 1.00 0.42 H new ATOM 0 HA LEU A 45 13.660 -9.835 16.300 1.00 0.44 H new ATOM 0 HB2 LEU A 45 12.517 -8.019 15.246 1.00 0.49 H new ATOM 0 HB3 LEU A 45 14.147 -7.514 15.645 1.00 0.49 H new ATOM 0 HG LEU A 45 12.766 -7.630 13.061 1.00 0.82 H new ATOM 0 HD11 LEU A 45 14.394 -5.773 12.606 1.00 0.39 H new ATOM 0 HD12 LEU A 45 13.553 -5.547 14.158 1.00 0.39 H new ATOM 0 HD13 LEU A 45 15.225 -6.157 14.132 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.766 -7.978 11.694 1.00 1.88 H new ATOM 0 HD22 LEU A 45 15.671 -8.451 13.152 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.298 -9.438 12.599 1.00 1.88 H new ATOM 695 N ASN A 46 13.892 -11.522 13.745 1.00 0.49 N ATOM 696 CA ASN A 46 13.287 -12.546 12.884 1.00 0.54 C ATOM 697 C ASN A 46 12.534 -11.906 11.729 1.00 0.51 C ATOM 698 O ASN A 46 11.316 -12.053 11.598 1.00 0.60 O ATOM 699 CB ASN A 46 12.345 -13.448 13.683 1.00 0.62 C ATOM 700 CG ASN A 46 13.072 -14.393 14.621 1.00 1.22 C ATOM 701 OD1 ASN A 46 14.162 -14.987 14.155 1.00 2.01 O flip ATOM 702 ND2 ASN A 46 12.646 -14.601 15.757 1.00 1.90 N flip ATOM 0 H ASN A 46 14.909 -11.577 13.802 1.00 0.49 H new ATOM 0 HA ASN A 46 14.095 -13.157 12.481 1.00 0.54 H new ATOM 0 HB2 ASN A 46 11.662 -12.826 14.262 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.737 -14.030 12.991 1.00 0.62 H new ATOM 0 HD21 ASN A 46 11.804 -14.125 16.081 1.00 1.90 H new ATOM 0 HD22 ASN A 46 13.135 -15.249 16.374 1.00 1.90 H new ATOM 709 N TYR A 47 13.278 -11.194 10.899 1.00 0.42 N ATOM 710 CA TYR A 47 12.724 -10.506 9.743 1.00 0.39 C ATOM 711 C TYR A 47 12.126 -11.495 8.749 1.00 0.49 C ATOM 712 O TYR A 47 12.728 -12.526 8.438 1.00 0.58 O ATOM 713 CB TYR A 47 13.823 -9.677 9.078 1.00 0.27 C ATOM 714 CG TYR A 47 13.460 -9.045 7.759 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.210 -8.484 7.539 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.395 -8.991 6.740 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.906 -7.890 6.333 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.100 -8.403 5.533 1.00 1.08 C ATOM 719 CZ TYR A 47 12.855 -7.855 5.333 1.00 0.23 C ATOM 720 OH TYR A 47 12.561 -7.261 4.133 1.00 0.24 O ATOM 0 H TYR A 47 14.285 -11.076 11.007 1.00 0.42 H new ATOM 0 HA TYR A 47 11.921 -9.848 10.075 1.00 0.39 H new ATOM 0 HB2 TYR A 47 14.124 -8.888 9.767 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.693 -10.316 8.926 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.467 -8.513 8.322 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.374 -9.419 6.896 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.931 -7.455 6.172 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.841 -8.372 4.748 1.00 1.08 H new ATOM 0 HH TYR A 47 11.912 -6.541 4.275 1.00 0.24 H new ATOM 730 N ILE A 48 10.946 -11.165 8.253 1.00 0.56 N ATOM 731 CA ILE A 48 10.253 -12.010 7.299 1.00 0.66 C ATOM 732 C ILE A 48 10.198 -11.341 5.933 1.00 0.52 C ATOM 733 O ILE A 48 9.460 -10.376 5.742 1.00 0.55 O ATOM 734 CB ILE A 48 8.809 -12.317 7.760 1.00 0.91 C ATOM 735 CG1 ILE A 48 8.796 -12.846 9.194 1.00 1.16 C ATOM 736 CG2 ILE A 48 8.147 -13.317 6.822 1.00 0.98 C ATOM 737 CD1 ILE A 48 9.568 -14.135 9.375 1.00 1.01 C ATOM 0 H ILE A 48 10.446 -10.311 8.498 1.00 0.56 H new ATOM 0 HA ILE A 48 10.811 -12.944 7.233 1.00 0.66 H new ATOM 0 HB ILE A 48 8.242 -11.387 7.732 1.00 0.91 H new ATOM 0 HG12 ILE A 48 9.214 -12.087 9.855 1.00 1.16 H new ATOM 0 HG13 ILE A 48 7.763 -13.005 9.504 1.00 1.16 H new ATOM 0 HG21 ILE A 48 7.132 -13.520 7.164 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.115 -12.904 5.814 1.00 0.98 H new ATOM 0 HG23 ILE A 48 8.720 -14.244 6.816 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.514 -14.448 10.418 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.137 -14.909 8.740 1.00 1.01 H new ATOM 0 HD13 ILE A 48 10.610 -13.977 9.098 1.00 1.01 H new ATOM 749 N PRO A 49 11.005 -11.820 4.976 1.00 0.44 N ATOM 750 CA PRO A 49 11.016 -11.281 3.615 1.00 0.35 C ATOM 751 C PRO A 49 9.683 -11.552 2.927 1.00 0.39 C ATOM 752 O PRO A 49 9.460 -12.637 2.388 1.00 0.49 O ATOM 753 CB PRO A 49 12.149 -12.048 2.921 1.00 0.40 C ATOM 754 CG PRO A 49 12.943 -12.665 4.023 1.00 0.51 C ATOM 755 CD PRO A 49 11.974 -12.908 5.142 1.00 0.55 C ATOM 0 HA PRO A 49 11.164 -10.201 3.588 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.754 -12.809 2.248 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.765 -11.380 2.320 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.405 -13.597 3.697 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.749 -12.004 4.341 1.00 0.51 H new ATOM 0 HD2 PRO A 49 11.501 -13.887 5.062 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.463 -12.869 6.116 1.00 0.55 H new ATOM 763 N ASN A 50 8.797 -10.567 2.978 1.00 0.40 N ATOM 764 CA ASN A 50 7.464 -10.684 2.398 1.00 0.45 C ATOM 765 C ASN A 50 7.509 -10.932 0.901 1.00 0.49 C ATOM 766 O ASN A 50 7.829 -10.038 0.119 1.00 0.54 O ATOM 767 CB ASN A 50 6.637 -9.435 2.697 1.00 0.45 C ATOM 768 CG ASN A 50 6.265 -9.332 4.160 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.307 -9.957 4.618 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.015 -8.535 4.900 1.00 0.46 N ATOM 0 H ASN A 50 8.980 -9.667 3.421 1.00 0.40 H new ATOM 0 HA ASN A 50 6.990 -11.550 2.861 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.201 -8.549 2.404 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.730 -9.449 2.093 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.810 -8.418 5.892 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.799 -8.036 4.479 1.00 0.46 H new ATOM 777 N ARG A 51 7.175 -12.153 0.514 1.00 0.51 N ATOM 778 CA ARG A 51 7.162 -12.542 -0.888 1.00 0.57 C ATOM 779 C ARG A 51 5.921 -11.983 -1.584 1.00 0.56 C ATOM 780 O ARG A 51 5.908 -11.785 -2.799 1.00 0.59 O ATOM 781 CB ARG A 51 7.199 -14.065 -1.013 1.00 0.63 C ATOM 782 CG ARG A 51 6.102 -14.772 -0.239 1.00 1.42 C ATOM 783 CD ARG A 51 5.361 -15.758 -1.122 1.00 2.25 C ATOM 784 NE ARG A 51 3.987 -15.976 -0.671 1.00 3.08 N ATOM 785 CZ ARG A 51 2.943 -16.052 -1.490 1.00 4.17 C ATOM 786 NH1 ARG A 51 3.108 -15.936 -2.801 1.00 4.66 N ATOM 787 NH2 ARG A 51 1.732 -16.250 -0.998 1.00 5.04 N ATOM 0 H ARG A 51 6.907 -12.898 1.157 1.00 0.51 H new ATOM 0 HA ARG A 51 8.047 -12.129 -1.373 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.119 -14.335 -2.066 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.167 -14.425 -0.664 1.00 0.63 H new ATOM 0 HG2 ARG A 51 6.534 -15.296 0.614 1.00 1.42 H new ATOM 0 HG3 ARG A 51 5.402 -14.038 0.159 1.00 1.42 H new ATOM 0 HD2 ARG A 51 5.351 -15.389 -2.148 1.00 2.25 H new ATOM 0 HD3 ARG A 51 5.894 -16.709 -1.130 1.00 2.25 H new ATOM 0 HE ARG A 51 3.820 -16.076 0.330 1.00 3.08 H new ATOM 0 HH11 ARG A 51 4.041 -15.787 -3.186 1.00 4.66 H new ATOM 0 HH12 ARG A 51 2.302 -15.995 -3.424 1.00 4.66 H new ATOM 0 HH21 ARG A 51 1.600 -16.344 0.009 1.00 5.04 H new ATOM 0 HH22 ARG A 51 0.930 -16.309 -1.625 1.00 5.04 H new ATOM 801 N CYS A 52 4.890 -11.703 -0.796 1.00 0.55 N ATOM 802 CA CYS A 52 3.642 -11.173 -1.319 1.00 0.55 C ATOM 803 C CYS A 52 3.798 -9.702 -1.657 1.00 0.52 C ATOM 804 O CYS A 52 3.287 -9.226 -2.673 1.00 0.57 O ATOM 805 CB CYS A 52 2.517 -11.380 -0.307 1.00 0.56 C ATOM 806 SG CYS A 52 1.239 -12.549 -0.879 1.00 0.83 S ATOM 0 H CYS A 52 4.897 -11.836 0.215 1.00 0.55 H new ATOM 0 HA CYS A 52 3.385 -11.709 -2.233 1.00 0.55 H new ATOM 0 HB2 CYS A 52 2.941 -11.745 0.628 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.050 -10.419 -0.091 1.00 0.56 H new ATOM 811 N ALA A 53 4.526 -8.988 -0.810 1.00 0.45 N ATOM 812 CA ALA A 53 4.785 -7.577 -1.031 1.00 0.43 C ATOM 813 C ALA A 53 5.678 -7.413 -2.250 1.00 0.43 C ATOM 814 O ALA A 53 5.578 -6.434 -2.987 1.00 0.44 O ATOM 815 CB ALA A 53 5.414 -6.964 0.191 1.00 0.41 C ATOM 0 H ALA A 53 4.948 -9.366 0.038 1.00 0.45 H new ATOM 0 HA ALA A 53 3.845 -7.058 -1.216 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.603 -5.906 0.011 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.740 -7.073 1.041 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.356 -7.469 0.408 1.00 0.41 H new ATOM 821 N GLN A 54 6.541 -8.405 -2.456 1.00 0.45 N ATOM 822 CA GLN A 54 7.446 -8.420 -3.592 1.00 0.48 C ATOM 823 C GLN A 54 6.659 -8.569 -4.883 1.00 0.51 C ATOM 824 O GLN A 54 6.988 -7.957 -5.897 1.00 0.55 O ATOM 825 CB GLN A 54 8.437 -9.573 -3.465 1.00 0.50 C ATOM 826 CG GLN A 54 9.631 -9.259 -2.585 1.00 0.74 C ATOM 827 CD GLN A 54 10.583 -10.430 -2.467 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.163 -11.587 -2.407 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.874 -10.141 -2.457 1.00 1.07 N ATOM 0 H GLN A 54 6.629 -9.214 -1.842 1.00 0.45 H new ATOM 0 HA GLN A 54 7.995 -7.478 -3.609 1.00 0.48 H new ATOM 0 HB2 GLN A 54 7.919 -10.443 -3.061 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.792 -9.846 -4.459 1.00 0.50 H new ATOM 0 HG2 GLN A 54 10.164 -8.400 -2.993 1.00 0.74 H new ATOM 0 HG3 GLN A 54 9.283 -8.976 -1.592 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.179 -9.169 -2.508 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.564 -10.890 -2.398 1.00 1.07 H new ATOM 838 N GLN A 55 5.610 -9.391 -4.832 1.00 0.52 N ATOM 839 CA GLN A 55 4.759 -9.621 -5.994 1.00 0.57 C ATOM 840 C GLN A 55 3.988 -8.358 -6.355 1.00 0.58 C ATOM 841 O GLN A 55 3.609 -8.166 -7.505 1.00 0.74 O ATOM 842 CB GLN A 55 3.780 -10.766 -5.733 1.00 0.62 C ATOM 843 CG GLN A 55 4.433 -12.139 -5.754 1.00 0.65 C ATOM 844 CD GLN A 55 5.094 -12.453 -7.081 1.00 1.22 C ATOM 845 OE1 GLN A 55 6.280 -12.182 -7.279 1.00 1.83 O ATOM 846 NE2 GLN A 55 4.334 -13.037 -7.997 1.00 2.01 N ATOM 0 H GLN A 55 5.332 -9.907 -3.997 1.00 0.52 H new ATOM 0 HA GLN A 55 5.403 -9.893 -6.830 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.305 -10.613 -4.764 1.00 0.62 H new ATOM 0 HB3 GLN A 55 2.990 -10.736 -6.484 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.178 -12.195 -4.960 1.00 0.65 H new ATOM 0 HG3 GLN A 55 3.681 -12.898 -5.539 1.00 0.65 H new ATOM 0 HE21 GLN A 55 3.356 -13.244 -7.792 1.00 2.01 H new ATOM 0 HE22 GLN A 55 4.727 -13.279 -8.907 1.00 2.01 H new ATOM 855 N LEU A 56 3.755 -7.507 -5.361 1.00 0.51 N ATOM 856 CA LEU A 56 3.037 -6.264 -5.571 1.00 0.50 C ATOM 857 C LEU A 56 3.980 -5.158 -6.011 1.00 0.47 C ATOM 858 O LEU A 56 3.749 -4.493 -7.019 1.00 0.48 O ATOM 859 CB LEU A 56 2.327 -5.841 -4.290 1.00 0.49 C ATOM 860 CG LEU A 56 1.144 -4.915 -4.518 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.000 -5.690 -5.152 1.00 0.51 C ATOM 862 CD2 LEU A 56 0.699 -4.282 -3.221 1.00 0.48 C ATOM 0 H LEU A 56 4.057 -7.661 -4.399 1.00 0.51 H new ATOM 0 HA LEU A 56 2.301 -6.433 -6.358 1.00 0.50 H new ATOM 0 HB2 LEU A 56 1.982 -6.732 -3.766 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.044 -5.344 -3.636 1.00 0.49 H new ATOM 0 HG LEU A 56 1.450 -4.116 -5.193 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.846 -5.022 -5.314 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.325 -6.102 -6.107 1.00 0.51 H new ATOM 0 HD13 LEU A 56 -0.300 -6.502 -4.490 1.00 0.51 H new ATOM 0 HD21 LEU A 56 -0.149 -3.623 -3.410 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.404 -5.061 -2.518 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.520 -3.704 -2.798 1.00 0.48 H new ATOM 874 N ALA A 57 5.056 -4.974 -5.255 1.00 0.45 N ATOM 875 CA ALA A 57 6.040 -3.943 -5.555 1.00 0.44 C ATOM 876 C ALA A 57 6.724 -4.222 -6.890 1.00 0.46 C ATOM 877 O ALA A 57 7.139 -3.306 -7.603 1.00 0.49 O ATOM 878 CB ALA A 57 7.060 -3.854 -4.426 1.00 0.44 C ATOM 0 H ALA A 57 5.269 -5.529 -4.426 1.00 0.45 H new ATOM 0 HA ALA A 57 5.530 -2.983 -5.638 1.00 0.44 H new ATOM 0 HB1 ALA A 57 7.793 -3.081 -4.658 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.551 -3.605 -3.495 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.567 -4.813 -4.317 1.00 0.44 H new ATOM 884 N GLY A 58 6.829 -5.500 -7.225 1.00 0.53 N ATOM 885 CA GLY A 58 7.443 -5.895 -8.473 1.00 0.61 C ATOM 886 C GLY A 58 6.407 -6.153 -9.544 1.00 0.94 C ATOM 887 O GLY A 58 6.640 -6.934 -10.469 1.00 1.14 O ATOM 0 H GLY A 58 6.497 -6.274 -6.649 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.126 -5.114 -8.807 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.039 -6.794 -8.318 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.180 -13.341 -6.435 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.164 -12.324 -6.781 1.00 0.66 C ATOM 1019 C VAL B 4 -9.089 -11.161 -5.813 1.00 0.59 C ATOM 1020 O VAL B 4 -8.895 -11.345 -4.612 1.00 0.64 O ATOM 1021 CB VAL B 4 -10.594 -12.896 -6.791 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -11.608 -11.834 -7.201 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -10.676 -14.093 -7.724 1.00 0.73 C ATOM 0 HA VAL B 4 -8.929 -11.975 -7.787 1.00 0.66 H new ATOM 0 HB VAL B 4 -10.836 -13.220 -5.779 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -12.609 -12.266 -7.199 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -11.570 -11.004 -6.496 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -11.371 -11.472 -8.201 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -11.692 -14.487 -7.721 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -10.409 -13.785 -8.735 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -9.986 -14.866 -7.386 1.00 0.73 H new ATOM 1033 N THR B 5 -9.242 -9.972 -6.341 1.00 0.50 N ATOM 1034 CA THR B 5 -9.166 -8.775 -5.547 1.00 0.45 C ATOM 1035 C THR B 5 -10.557 -8.301 -5.150 1.00 0.40 C ATOM 1036 O THR B 5 -11.560 -8.745 -5.715 1.00 0.39 O ATOM 1037 CB THR B 5 -8.459 -7.670 -6.348 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.346 -7.145 -7.338 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.217 -8.214 -7.037 1.00 0.48 C ATOM 0 H THR B 5 -9.422 -9.809 -7.332 1.00 0.50 H new ATOM 0 HA THR B 5 -8.601 -8.996 -4.641 1.00 0.45 H new ATOM 0 HB THR B 5 -8.166 -6.882 -5.654 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.303 -7.701 -8.144 1.00 0.39 H new ATOM 0 HG21 THR B 5 -6.733 -7.415 -7.598 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.526 -8.602 -6.288 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.501 -9.015 -7.719 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.622 -7.383 -4.188 1.00 0.39 N ATOM 1048 CA LEU B 6 -11.895 -6.840 -3.749 1.00 0.36 C ATOM 1049 C LEU B 6 -12.347 -5.811 -4.783 1.00 0.32 C ATOM 1050 O LEU B 6 -13.475 -5.320 -4.774 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.725 -6.247 -2.346 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.705 -5.166 -1.913 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -13.053 -5.339 -0.447 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.097 -3.801 -2.141 1.00 0.50 C ATOM 0 H LEU B 6 -9.809 -7.004 -3.702 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.667 -7.606 -3.678 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.787 -7.064 -1.627 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.718 -5.835 -2.275 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.616 -5.254 -2.505 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.755 -4.561 -0.145 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.508 -6.318 -0.294 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.147 -5.263 0.154 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.803 -3.031 -1.829 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.180 -3.709 -1.559 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.869 -3.677 -3.200 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.436 -5.542 -5.710 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.659 -4.610 -6.794 1.00 0.32 C ATOM 1068 C TYR B 7 -12.438 -5.288 -7.914 1.00 0.32 C ATOM 1069 O TYR B 7 -13.323 -4.686 -8.523 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.315 -4.110 -7.317 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.790 -2.900 -6.582 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.174 -3.008 -5.330 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -9.905 -1.634 -7.149 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.700 -1.886 -4.684 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.422 -0.514 -6.504 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.822 -0.645 -5.273 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.335 0.469 -4.627 1.00 0.49 O ATOM 0 H TYR B 7 -10.512 -5.973 -5.725 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.241 -3.764 -6.429 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.584 -4.915 -7.242 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.414 -3.867 -8.375 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.069 -3.978 -4.866 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.381 -1.526 -8.112 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -8.232 -1.979 -3.715 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.514 0.459 -6.963 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.935 0.709 -3.891 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.100 -6.548 -8.173 1.00 0.33 N ATOM 1088 CA ASP B 8 -12.766 -7.326 -9.216 1.00 0.35 C ATOM 1089 C ASP B 8 -14.230 -7.521 -8.866 1.00 0.31 C ATOM 1090 O ASP B 8 -15.101 -7.472 -9.736 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.085 -8.690 -9.395 1.00 0.41 C ATOM 1092 CG ASP B 8 -10.687 -8.569 -9.966 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -10.549 -8.137 -11.128 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -9.716 -8.908 -9.254 1.00 1.31 O ATOM 0 H ASP B 8 -11.368 -7.054 -7.675 1.00 0.33 H new ATOM 0 HA ASP B 8 -12.692 -6.776 -10.154 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.038 -9.198 -8.432 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -12.691 -9.311 -10.054 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.487 -7.723 -7.578 1.00 0.27 N ATOM 1100 CA VAL B 9 -15.837 -7.923 -7.072 1.00 0.25 C ATOM 1101 C VAL B 9 -16.698 -6.693 -7.342 1.00 0.25 C ATOM 1102 O VAL B 9 -17.850 -6.803 -7.768 1.00 0.28 O ATOM 1103 CB VAL B 9 -15.804 -8.220 -5.557 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.201 -8.451 -5.010 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -14.919 -9.419 -5.268 1.00 0.28 C ATOM 0 H VAL B 9 -13.765 -7.752 -6.858 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.274 -8.777 -7.591 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.386 -7.347 -5.056 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.144 -8.658 -3.941 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.808 -7.561 -5.176 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.656 -9.300 -5.520 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.908 -9.613 -4.195 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.308 -10.293 -5.791 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -13.905 -9.213 -5.610 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.119 -5.522 -7.114 1.00 0.25 N ATOM 1116 CA ALA B 10 -16.817 -4.259 -7.323 1.00 0.28 C ATOM 1117 C ALA B 10 -17.138 -4.017 -8.792 1.00 0.33 C ATOM 1118 O ALA B 10 -18.281 -3.714 -9.144 1.00 0.37 O ATOM 1119 CB ALA B 10 -15.980 -3.116 -6.790 1.00 0.31 C ATOM 0 H ALA B 10 -15.160 -5.420 -6.782 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.762 -4.314 -6.783 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.506 -2.175 -6.949 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.806 -3.259 -5.724 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.024 -3.090 -7.313 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.127 -4.170 -9.640 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.271 -3.943 -11.076 1.00 0.44 C ATOM 1127 C GLU B 11 -17.363 -4.819 -11.678 1.00 0.47 C ATOM 1128 O GLU B 11 -18.173 -4.348 -12.479 1.00 0.56 O ATOM 1129 CB GLU B 11 -14.942 -4.202 -11.783 1.00 0.51 C ATOM 1130 CG GLU B 11 -13.818 -3.299 -11.304 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.128 -1.824 -11.480 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -14.722 -1.223 -10.560 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.778 -1.260 -12.536 1.00 2.34 O ATOM 0 H GLU B 11 -15.189 -4.453 -9.355 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.562 -2.903 -11.221 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.654 -5.242 -11.629 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.077 -4.064 -12.856 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -13.621 -3.500 -10.251 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -12.907 -3.541 -11.851 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.389 -6.085 -11.277 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.379 -7.033 -11.779 1.00 0.49 C ATOM 1142 C TYR B 12 -19.781 -6.701 -11.267 1.00 0.49 C ATOM 1143 O TYR B 12 -20.755 -6.767 -12.015 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.004 -8.458 -11.367 1.00 0.49 C ATOM 1145 CG TYR B 12 -18.822 -9.517 -12.068 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -18.516 -9.906 -13.363 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -19.905 -10.120 -11.440 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -19.264 -10.866 -14.015 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -20.658 -11.083 -12.084 1.00 1.18 C ATOM 1150 CZ TYR B 12 -20.336 -11.454 -13.371 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.082 -12.417 -14.014 1.00 0.94 O ATOM 0 H TYR B 12 -16.733 -6.481 -10.603 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.386 -6.959 -12.866 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -16.948 -8.624 -11.580 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.133 -8.563 -10.290 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -17.678 -9.450 -13.870 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.162 -9.831 -10.432 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -19.012 -11.156 -15.024 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -21.495 -11.543 -11.581 1.00 1.18 H new ATOM 0 HH TYR B 12 -21.797 -12.728 -13.420 1.00 0.94 H new ATOM 1161 N ALA B 13 -19.877 -6.345 -9.989 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.164 -6.016 -9.384 1.00 0.48 C ATOM 1163 C ALA B 13 -21.718 -4.692 -9.910 1.00 0.52 C ATOM 1164 O ALA B 13 -22.929 -4.472 -9.904 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.035 -5.982 -7.867 1.00 0.43 C ATOM 0 H ALA B 13 -19.082 -6.277 -9.354 1.00 0.43 H new ATOM 0 HA ALA B 13 -21.874 -6.795 -9.663 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.001 -5.736 -7.425 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -20.710 -6.958 -7.508 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.302 -5.228 -7.581 1.00 0.43 H new ATOM 1171 N GLY B 14 -20.826 -3.825 -10.371 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.237 -2.536 -10.893 1.00 0.55 C ATOM 1173 C GLY B 14 -21.233 -1.461 -9.828 1.00 0.52 C ATOM 1174 O GLY B 14 -21.749 -0.363 -10.034 1.00 0.59 O ATOM 0 H GLY B 14 -19.820 -3.993 -10.393 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.569 -2.244 -11.704 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.237 -2.620 -11.318 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.637 -1.780 -8.690 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.560 -0.854 -7.575 1.00 0.46 C ATOM 1180 C VAL B 15 -19.133 -0.357 -7.395 1.00 0.43 C ATOM 1181 O VAL B 15 -18.211 -0.856 -8.039 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.022 -1.525 -6.264 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.487 -1.933 -6.357 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.133 -2.726 -5.931 1.00 0.36 C ATOM 0 H VAL B 15 -20.196 -2.683 -8.515 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.218 -0.015 -7.799 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.927 -0.803 -5.453 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.793 -2.404 -5.423 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.100 -1.050 -6.536 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.617 -2.637 -7.179 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.475 -3.186 -5.004 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.189 -3.455 -6.739 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.102 -2.394 -5.813 1.00 0.36 H new ATOM 1194 N SER B 16 -18.950 0.633 -6.534 1.00 0.45 N ATOM 1195 CA SER B 16 -17.618 1.139 -6.274 1.00 0.46 C ATOM 1196 C SER B 16 -16.859 0.117 -5.431 1.00 0.41 C ATOM 1197 O SER B 16 -17.471 -0.654 -4.693 1.00 0.39 O ATOM 1198 CB SER B 16 -17.674 2.490 -5.556 1.00 0.50 C ATOM 1199 OG SER B 16 -18.401 2.414 -4.336 1.00 0.64 O ATOM 0 H SER B 16 -19.696 1.093 -6.013 1.00 0.45 H new ATOM 0 HA SER B 16 -17.101 1.292 -7.221 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.660 2.835 -5.353 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.138 3.229 -6.209 1.00 0.50 H new ATOM 0 HG SER B 16 -18.413 3.295 -3.907 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.535 0.104 -5.536 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.722 -0.841 -4.777 1.00 0.41 C ATOM 1207 C TYR B 17 -14.901 -0.616 -3.274 1.00 0.41 C ATOM 1208 O TYR B 17 -14.761 -1.537 -2.473 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.248 -0.742 -5.218 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.308 -0.135 -4.204 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.128 1.237 -4.124 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.596 -0.944 -3.334 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -11.266 1.787 -3.204 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.730 -0.410 -2.405 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.570 0.965 -2.348 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.718 1.518 -1.433 1.00 1.42 O ATOM 0 H TYR B 17 -15.003 0.734 -6.136 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.056 -1.857 -4.985 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.892 -1.742 -5.465 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.199 -0.151 -6.133 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.673 1.884 -4.795 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.722 -2.015 -3.385 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -11.136 2.858 -3.154 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -10.184 -1.054 -1.731 1.00 1.49 H new ATOM 0 HH TYR B 17 -9.303 0.807 -0.901 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.258 0.609 -2.904 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.481 0.947 -1.509 1.00 0.44 C ATOM 1228 C GLN B 18 -16.794 0.352 -1.019 1.00 0.38 C ATOM 1229 O GLN B 18 -16.994 0.183 0.183 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.457 2.454 -1.316 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.052 2.988 -1.149 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.898 4.396 -1.652 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -14.083 5.350 -0.905 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.558 4.535 -2.924 1.00 0.87 N ATOM 0 H GLN B 18 -15.398 1.383 -3.554 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.675 0.518 -0.914 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.927 2.936 -2.173 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.049 2.715 -0.439 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -13.778 2.952 -0.095 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.356 2.339 -1.681 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.415 3.710 -3.507 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.439 5.467 -3.321 1.00 0.87 H new ATOM 1243 N THR B 19 -17.692 0.040 -1.952 1.00 0.39 N ATOM 1244 CA THR B 19 -18.961 -0.584 -1.603 1.00 0.38 C ATOM 1245 C THR B 19 -18.660 -1.963 -1.032 1.00 0.34 C ATOM 1246 O THR B 19 -19.294 -2.418 -0.079 1.00 0.36 O ATOM 1247 CB THR B 19 -19.890 -0.714 -2.830 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.121 0.574 -3.414 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.224 -1.341 -2.457 1.00 0.45 C ATOM 0 H THR B 19 -17.563 0.209 -2.950 1.00 0.39 H new ATOM 0 HA THR B 19 -19.479 0.038 -0.873 1.00 0.38 H new ATOM 0 HB THR B 19 -19.392 -1.364 -3.550 1.00 0.41 H new ATOM 0 HG1 THR B 19 -19.266 0.969 -3.684 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.851 -1.417 -3.345 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.056 -2.336 -2.046 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.722 -0.720 -1.712 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.639 -2.591 -1.608 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.192 -3.902 -1.176 1.00 0.33 C ATOM 1259 C VAL B 20 -16.484 -3.763 0.164 1.00 0.36 C ATOM 1260 O VAL B 20 -16.757 -4.516 1.098 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.247 -4.550 -2.208 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.038 -6.024 -1.903 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.785 -4.372 -3.616 1.00 0.44 C ATOM 0 H VAL B 20 -17.103 -2.203 -2.384 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.062 -4.551 -1.078 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.282 -4.047 -2.141 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.368 -6.458 -2.645 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.599 -6.132 -0.911 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.997 -6.541 -1.934 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.103 -4.837 -4.328 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.765 -4.842 -3.693 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.874 -3.309 -3.840 1.00 0.44 H new ATOM 1273 N SER B 21 -15.584 -2.778 0.248 1.00 0.39 N ATOM 1274 CA SER B 21 -14.850 -2.488 1.471 1.00 0.45 C ATOM 1275 C SER B 21 -15.797 -2.358 2.665 1.00 0.45 C ATOM 1276 O SER B 21 -15.526 -2.873 3.745 1.00 0.52 O ATOM 1277 CB SER B 21 -14.071 -1.190 1.290 1.00 0.50 C ATOM 1278 OG SER B 21 -13.120 -1.320 0.253 1.00 1.29 O ATOM 0 H SER B 21 -15.348 -2.164 -0.532 1.00 0.39 H new ATOM 0 HA SER B 21 -14.165 -3.312 1.670 1.00 0.45 H new ATOM 0 HB2 SER B 21 -14.759 -0.376 1.060 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.568 -0.929 2.221 1.00 0.50 H new ATOM 0 HG SER B 21 -13.579 -1.328 -0.613 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.923 -1.687 2.450 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.907 -1.480 3.509 1.00 0.51 C ATOM 1286 C ARG B 22 -18.590 -2.788 3.894 1.00 0.54 C ATOM 1287 O ARG B 22 -18.653 -3.136 5.073 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.949 -0.453 3.071 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.383 0.944 2.879 1.00 0.72 C ATOM 1290 CD ARG B 22 -19.402 1.869 2.239 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.830 3.172 1.902 1.00 1.46 N ATOM 1292 CZ ARG B 22 -18.728 3.641 0.656 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -19.139 2.907 -0.375 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -18.214 4.840 0.441 1.00 2.66 N ATOM 0 H ARG B 22 -17.178 -1.276 1.552 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.380 -1.103 4.386 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.403 -0.784 2.137 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.744 -0.415 3.815 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.075 1.350 3.843 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -17.491 0.895 2.255 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.797 1.403 1.336 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -20.242 2.008 2.920 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.489 3.757 2.664 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -19.535 1.980 -0.216 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -19.058 3.271 -1.324 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.895 5.407 1.227 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -18.136 5.198 -0.511 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.078 -3.520 2.893 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.760 -4.793 3.124 1.00 0.58 C ATOM 1310 C VAL B 23 -18.830 -5.778 3.825 1.00 0.62 C ATOM 1311 O VAL B 23 -19.243 -6.515 4.723 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.252 -5.408 1.790 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.757 -6.828 1.984 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.341 -4.550 1.177 1.00 0.55 C ATOM 0 H VAL B 23 -19.013 -3.252 1.911 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.623 -4.597 3.761 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.400 -5.441 1.111 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.094 -7.228 1.028 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.952 -7.450 2.374 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.588 -6.825 2.689 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.674 -4.998 0.241 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -22.183 -4.483 1.866 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.951 -3.551 0.982 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.573 -5.759 3.409 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.548 -6.624 3.961 1.00 0.69 C ATOM 1326 C VAL B 24 -16.291 -6.304 5.441 1.00 0.76 C ATOM 1327 O VAL B 24 -16.091 -7.209 6.252 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.243 -6.484 3.141 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -14.037 -6.939 3.931 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.348 -7.273 1.847 1.00 0.66 C ATOM 0 H VAL B 24 -17.236 -5.138 2.674 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.898 -7.655 3.900 1.00 0.69 H new ATOM 0 HB VAL B 24 -15.110 -5.427 2.908 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.140 -6.826 3.323 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.943 -6.333 4.832 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.158 -7.986 4.208 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.423 -7.166 1.280 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.514 -8.326 2.075 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.182 -6.894 1.256 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.340 -5.020 5.789 1.00 0.72 N ATOM 1341 CA ASN B 25 -16.088 -4.586 7.159 1.00 0.79 C ATOM 1342 C ASN B 25 -17.292 -4.831 8.059 1.00 1.20 C ATOM 1343 O ASN B 25 -17.340 -5.814 8.798 1.00 1.68 O ATOM 1344 CB ASN B 25 -15.705 -3.104 7.184 1.00 0.77 C ATOM 1345 CG ASN B 25 -14.217 -2.885 7.009 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -13.467 -2.815 7.978 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.782 -2.765 5.769 1.00 1.07 N ATOM 0 H ASN B 25 -16.552 -4.262 5.140 1.00 0.72 H new ATOM 0 HA ASN B 25 -15.259 -5.179 7.545 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -16.241 -2.580 6.393 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -16.024 -2.666 8.129 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.790 -2.608 5.589 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.437 -2.829 4.990 1.00 1.07 H new ATOM 1392 N HIS B 29 -24.456 1.949 5.348 1.00 0.98 N ATOM 1393 CA HIS B 29 -24.666 2.641 4.098 1.00 0.93 C ATOM 1394 C HIS B 29 -25.089 1.658 3.005 1.00 0.85 C ATOM 1395 O HIS B 29 -26.177 1.767 2.468 1.00 1.08 O ATOM 1396 CB HIS B 29 -23.441 3.431 3.649 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.648 4.130 4.724 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -22.844 4.269 6.062 1.00 1.04 N flip ATOM 1399 CD2 HIS B 29 -21.494 4.826 4.442 1.00 1.26 C flip ATOM 1400 CE1 HIS B 29 -21.816 5.035 6.545 1.00 1.07 C flip ATOM 1401 NE2 HIS B 29 -21.017 5.357 5.549 1.00 1.31 N flip ATOM 0 HA HIS B 29 -25.467 3.361 4.269 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.772 2.750 3.123 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.766 4.180 2.927 1.00 1.01 H new ATOM 0 HD1 HIS B 29 -23.613 3.876 6.605 1.00 1.04 H new ATOM 0 HD2 HIS B 29 -21.048 4.922 3.463 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -21.682 5.328 7.576 1.00 1.07 H new ATOM 1410 N VAL B 30 -24.238 0.688 2.695 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.554 -0.298 1.671 1.00 0.78 C ATOM 1412 C VAL B 30 -25.885 -0.984 1.979 1.00 0.81 C ATOM 1413 O VAL B 30 -26.007 -1.719 2.958 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.455 -1.366 1.531 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.626 -2.132 0.231 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.078 -0.728 1.611 1.00 1.22 C ATOM 0 H VAL B 30 -23.327 0.564 3.137 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.624 0.242 0.727 1.00 0.78 H new ATOM 0 HB VAL B 30 -23.547 -2.072 2.356 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.841 -2.884 0.146 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.600 -2.621 0.222 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.559 -1.441 -0.610 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.314 -1.498 1.510 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -21.967 0.000 0.808 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -21.964 -0.228 2.573 1.00 1.22 H new ATOM 1426 N SER B 31 -26.869 -0.730 1.130 1.00 0.82 N ATOM 1427 CA SER B 31 -28.204 -1.280 1.296 1.00 0.88 C ATOM 1428 C SER B 31 -28.229 -2.770 0.970 1.00 0.94 C ATOM 1429 O SER B 31 -27.266 -3.298 0.420 1.00 1.42 O ATOM 1430 CB SER B 31 -29.166 -0.515 0.393 1.00 0.90 C ATOM 1431 OG SER B 31 -28.448 0.324 -0.503 1.00 0.83 O ATOM 0 H SER B 31 -26.764 -0.137 0.307 1.00 0.82 H new ATOM 0 HA SER B 31 -28.511 -1.171 2.336 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.781 -1.217 -0.171 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.843 0.086 1.000 1.00 0.90 H new ATOM 0 HG SER B 31 -27.885 -0.226 -1.086 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.325 -3.439 1.309 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.468 -4.875 1.061 1.00 0.92 C ATOM 1439 C ALA B 32 -29.244 -5.218 -0.405 1.00 0.86 C ATOM 1440 O ALA B 32 -28.608 -6.226 -0.726 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.840 -5.354 1.507 1.00 1.07 C ATOM 0 H ALA B 32 -30.134 -3.010 1.759 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.702 -5.387 1.643 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.932 -6.423 1.316 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -30.963 -5.164 2.573 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.610 -4.819 0.952 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.763 -4.376 -1.293 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.624 -4.592 -2.730 1.00 0.87 C ATOM 1449 C LYS B 33 -28.153 -4.623 -3.144 1.00 0.79 C ATOM 1450 O LYS B 33 -27.719 -5.539 -3.840 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.361 -3.500 -3.503 1.00 0.95 C ATOM 1452 CG LYS B 33 -31.823 -3.376 -3.121 1.00 1.51 C ATOM 1453 CD LYS B 33 -32.624 -2.647 -4.183 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.968 -3.561 -5.345 1.00 2.55 C ATOM 1455 NZ LYS B 33 -33.697 -2.840 -6.418 1.00 3.30 N ATOM 0 H LYS B 33 -30.285 -3.536 -1.043 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.066 -5.560 -2.968 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -29.865 -2.545 -3.330 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -30.288 -3.708 -4.570 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -32.244 -4.370 -2.967 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -31.907 -2.844 -2.173 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -33.541 -2.255 -3.743 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -32.054 -1.792 -4.547 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -32.053 -3.990 -5.753 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -33.577 -4.391 -4.986 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -33.914 -3.498 -7.193 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -34.583 -2.452 -6.036 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -33.106 -2.064 -6.778 1.00 3.30 H new ATOM 1469 N THR B 34 -27.387 -3.632 -2.691 1.00 0.68 N ATOM 1470 CA THR B 34 -25.971 -3.546 -3.024 1.00 0.61 C ATOM 1471 C THR B 34 -25.146 -4.537 -2.201 1.00 0.57 C ATOM 1472 O THR B 34 -24.101 -5.009 -2.648 1.00 0.54 O ATOM 1473 CB THR B 34 -25.441 -2.116 -2.800 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.346 -1.385 -1.956 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.273 -1.390 -4.126 1.00 0.73 C ATOM 0 H THR B 34 -27.726 -2.879 -2.093 1.00 0.68 H new ATOM 0 HA THR B 34 -25.869 -3.801 -4.079 1.00 0.61 H new ATOM 0 HB THR B 34 -24.467 -2.182 -2.315 1.00 0.64 H new ATOM 0 HG1 THR B 34 -26.003 -0.478 -1.816 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.898 -0.383 -3.944 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.565 -1.934 -4.751 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.236 -1.333 -4.634 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.630 -4.850 -1.003 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.957 -5.790 -0.106 1.00 0.61 C ATOM 1485 C ARG B 35 -24.916 -7.185 -0.724 1.00 0.60 C ATOM 1486 O ARG B 35 -23.843 -7.775 -0.883 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.685 -5.839 1.241 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.815 -6.286 2.403 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.531 -6.095 3.732 1.00 1.00 C ATOM 1490 NE ARG B 35 -26.090 -4.752 3.857 1.00 1.71 N ATOM 1491 CZ ARG B 35 -27.281 -4.483 4.388 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -28.032 -5.449 4.895 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -27.712 -3.232 4.421 1.00 3.21 N ATOM 0 H ARG B 35 -26.495 -4.463 -0.626 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.934 -5.448 0.050 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -26.085 -4.849 1.461 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.536 -6.516 1.157 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.548 -7.335 2.278 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.884 -5.718 2.403 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -26.329 -6.831 3.824 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -24.834 -6.276 4.550 1.00 1.00 H new ATOM 0 HE ARG B 35 -25.532 -3.969 3.516 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -27.700 -6.413 4.882 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -28.942 -5.229 5.299 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -27.133 -2.483 4.041 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -28.623 -3.017 4.826 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.088 -7.696 -1.093 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.191 -9.017 -1.706 1.00 0.67 C ATOM 1509 C GLU B 36 -25.544 -9.016 -3.086 1.00 0.62 C ATOM 1510 O GLU B 36 -25.158 -10.063 -3.601 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.651 -9.451 -1.803 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.325 -9.617 -0.451 1.00 0.84 C ATOM 1513 CD GLU B 36 -29.732 -10.169 -0.565 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.676 -9.365 -0.715 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -29.899 -11.408 -0.499 1.00 2.09 O ATOM 0 H GLU B 36 -26.980 -7.215 -0.978 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.661 -9.731 -1.075 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.203 -8.714 -2.387 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.706 -10.395 -2.346 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -27.726 -10.284 0.170 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.357 -8.652 0.056 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.433 -7.831 -3.679 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.810 -7.678 -4.988 1.00 0.56 C ATOM 1524 C LYS B 37 -23.326 -8.003 -4.893 1.00 0.48 C ATOM 1525 O LYS B 37 -22.783 -8.756 -5.701 1.00 0.49 O ATOM 1526 CB LYS B 37 -24.990 -6.245 -5.496 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.520 -6.028 -6.927 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.437 -6.724 -7.915 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.837 -6.132 -7.887 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.030 -5.117 -8.960 1.00 1.66 N ATOM 0 H LYS B 37 -25.769 -6.959 -3.270 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.288 -8.365 -5.687 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.044 -5.976 -5.427 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.445 -5.567 -4.839 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -24.489 -4.960 -7.145 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -23.504 -6.406 -7.041 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.024 -6.637 -8.920 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -25.486 -7.788 -7.681 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.571 -6.929 -8.004 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.018 -5.673 -6.915 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -27.997 -4.736 -8.908 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.346 -4.344 -8.833 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -26.882 -5.561 -9.889 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.684 -7.431 -3.885 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.265 -7.646 -3.655 1.00 0.37 C ATOM 1546 C VAL B 38 -20.992 -9.101 -3.270 1.00 0.39 C ATOM 1547 O VAL B 38 -20.082 -9.736 -3.806 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.739 -6.709 -2.551 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.288 -7.008 -2.239 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -20.904 -5.255 -2.964 1.00 0.38 C ATOM 0 H VAL B 38 -23.129 -6.810 -3.209 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.741 -7.422 -4.584 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.325 -6.883 -1.649 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -18.938 -6.334 -1.457 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.194 -8.039 -1.899 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.686 -6.866 -3.137 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.527 -4.607 -2.173 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.344 -5.071 -3.881 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -21.959 -5.043 -3.135 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.799 -9.624 -2.352 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.654 -11.005 -1.893 1.00 0.50 C ATOM 1562 C GLU B 39 -21.845 -11.992 -3.046 1.00 0.53 C ATOM 1563 O GLU B 39 -21.207 -13.052 -3.086 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.657 -11.304 -0.775 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.520 -10.379 0.424 1.00 0.63 C ATOM 1566 CD GLU B 39 -23.156 -10.948 1.675 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -24.392 -10.866 1.804 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -22.420 -11.490 2.527 1.00 1.79 O ATOM 0 H GLU B 39 -22.562 -9.112 -1.909 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.643 -11.124 -1.505 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.668 -11.223 -1.173 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.526 -12.335 -0.446 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.463 -10.189 0.612 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.980 -9.419 0.192 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.718 -11.637 -3.986 1.00 0.55 N ATOM 1576 CA ALA B 40 -22.983 -12.479 -5.142 1.00 0.61 C ATOM 1577 C ALA B 40 -21.801 -12.445 -6.092 1.00 0.53 C ATOM 1578 O ALA B 40 -21.407 -13.472 -6.647 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.251 -12.035 -5.857 1.00 0.70 C ATOM 0 H ALA B 40 -23.253 -10.769 -3.966 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.130 -13.502 -4.797 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.428 -12.680 -6.718 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.097 -12.102 -5.173 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.137 -11.004 -6.193 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.235 -11.256 -6.272 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.084 -11.084 -7.143 1.00 0.43 C ATOM 1587 C ALA B 41 -18.880 -11.830 -6.592 1.00 0.38 C ATOM 1588 O ALA B 41 -18.047 -12.330 -7.349 1.00 0.39 O ATOM 1589 CB ALA B 41 -19.764 -9.613 -7.332 1.00 0.42 C ATOM 0 H ALA B 41 -21.557 -10.398 -5.824 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.330 -11.504 -8.118 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -18.899 -9.510 -7.987 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.621 -9.109 -7.780 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.542 -9.162 -6.365 1.00 0.42 H new ATOM 1595 N MET B 42 -18.805 -11.913 -5.267 1.00 0.38 N ATOM 1596 CA MET B 42 -17.725 -12.628 -4.604 1.00 0.40 C ATOM 1597 C MET B 42 -17.694 -14.084 -5.064 1.00 0.45 C ATOM 1598 O MET B 42 -16.639 -14.710 -5.101 1.00 0.52 O ATOM 1599 CB MET B 42 -17.895 -12.578 -3.087 1.00 0.44 C ATOM 1600 CG MET B 42 -17.622 -11.218 -2.479 1.00 0.41 C ATOM 1601 SD MET B 42 -17.752 -11.243 -0.683 1.00 0.51 S ATOM 1602 CE MET B 42 -17.555 -9.508 -0.301 1.00 0.46 C ATOM 0 H MET B 42 -19.483 -11.492 -4.632 1.00 0.38 H new ATOM 0 HA MET B 42 -16.785 -12.144 -4.871 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.912 -12.879 -2.836 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.225 -13.308 -2.633 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.624 -10.887 -2.766 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.327 -10.492 -2.883 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.799 -9.390 0.475 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.242 -8.971 -1.197 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.504 -9.103 0.052 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.859 -14.603 -5.430 1.00 0.46 N ATOM 1613 CA ALA B 43 -18.979 -15.981 -5.889 1.00 0.53 C ATOM 1614 C ALA B 43 -18.682 -16.091 -7.383 1.00 0.55 C ATOM 1615 O ALA B 43 -18.096 -17.070 -7.837 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.371 -16.515 -5.583 1.00 0.61 C ATOM 0 H ALA B 43 -19.739 -14.087 -5.418 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.244 -16.584 -5.356 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.450 -17.545 -5.930 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.546 -16.480 -4.508 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.116 -15.903 -6.092 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.083 -15.074 -8.135 1.00 0.54 N ATOM 1623 CA GLU B 44 -18.866 -15.050 -9.576 1.00 0.58 C ATOM 1624 C GLU B 44 -17.381 -15.032 -9.904 1.00 0.59 C ATOM 1625 O GLU B 44 -16.890 -15.858 -10.676 1.00 0.68 O ATOM 1626 CB GLU B 44 -19.546 -13.832 -10.197 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.055 -13.848 -10.055 1.00 0.63 C ATOM 1628 CD GLU B 44 -21.680 -15.066 -10.702 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -21.870 -15.057 -11.937 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -21.982 -16.036 -9.978 1.00 1.29 O ATOM 0 H GLU B 44 -19.562 -14.251 -7.769 1.00 0.54 H new ATOM 0 HA GLU B 44 -19.303 -15.957 -9.995 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.154 -12.929 -9.730 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -19.288 -13.781 -11.255 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.318 -13.826 -8.998 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -21.470 -12.947 -10.506 1.00 0.63 H new ATOM 1637 N LEU B 45 -16.663 -14.103 -9.302 1.00 0.52 N ATOM 1638 CA LEU B 45 -15.231 -13.993 -9.543 1.00 0.55 C ATOM 1639 C LEU B 45 -14.469 -15.012 -8.708 1.00 0.55 C ATOM 1640 O LEU B 45 -13.286 -15.243 -8.942 1.00 0.63 O ATOM 1641 CB LEU B 45 -14.707 -12.592 -9.195 1.00 0.51 C ATOM 1642 CG LEU B 45 -15.228 -11.422 -10.036 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -15.709 -11.873 -11.404 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -16.325 -10.705 -9.286 1.00 0.99 C ATOM 0 H LEU B 45 -17.040 -13.418 -8.648 1.00 0.52 H new ATOM 0 HA LEU B 45 -15.071 -14.182 -10.605 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -14.947 -12.391 -8.151 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -13.620 -12.608 -9.275 1.00 0.51 H new ATOM 0 HG LEU B 45 -14.401 -10.733 -10.206 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.069 -11.011 -11.965 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -14.885 -12.339 -11.944 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -16.519 -12.593 -11.286 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -16.693 -9.874 -9.887 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.142 -11.398 -9.086 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -15.933 -10.325 -8.343 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.167 -15.624 -7.747 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.551 -16.580 -6.828 1.00 0.59 C ATOM 1658 C ASN B 46 -13.487 -15.826 -6.036 1.00 0.54 C ATOM 1659 O ASN B 46 -12.309 -16.176 -6.041 1.00 0.59 O ATOM 1660 CB ASN B 46 -13.953 -17.782 -7.581 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.526 -18.908 -6.650 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.288 -19.130 -5.591 1.00 1.77 O flip ATOM 1663 ND2 ASN B 46 -12.526 -19.585 -6.892 1.00 1.40 N flip ATOM 0 H ASN B 46 -16.163 -15.472 -7.587 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.300 -16.994 -6.153 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.688 -18.162 -8.291 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.092 -17.450 -8.161 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -11.962 -19.385 -7.718 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.262 -20.346 -6.266 1.00 1.40 H new ATOM 1670 N TYR B 47 -13.947 -14.754 -5.387 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.107 -13.848 -4.614 1.00 0.46 C ATOM 1672 C TYR B 47 -12.247 -14.557 -3.587 1.00 0.52 C ATOM 1673 O TYR B 47 -12.731 -15.032 -2.557 1.00 0.58 O ATOM 1674 CB TYR B 47 -13.984 -12.786 -3.932 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.231 -11.749 -3.098 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -11.878 -11.474 -3.303 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -13.888 -11.042 -2.098 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.210 -10.534 -2.535 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.226 -10.100 -1.328 1.00 1.21 C ATOM 1680 CZ TYR B 47 -11.887 -9.851 -1.549 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.223 -8.916 -0.777 1.00 0.51 O ATOM 0 H TYR B 47 -14.932 -14.490 -5.386 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.419 -13.375 -5.315 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.556 -12.264 -4.699 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.703 -13.292 -3.288 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.341 -12.004 -4.076 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -14.936 -11.231 -1.918 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.162 -10.338 -2.709 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -13.757 -9.562 -0.557 1.00 1.21 H new ATOM 0 HH TYR B 47 -11.846 -8.525 -0.129 1.00 0.51 H new ATOM 1691 N ILE B 48 -10.964 -14.619 -3.900 1.00 0.56 N ATOM 1692 CA ILE B 48 -9.969 -15.189 -3.015 1.00 0.64 C ATOM 1693 C ILE B 48 -9.052 -14.053 -2.588 1.00 0.59 C ATOM 1694 O ILE B 48 -8.101 -13.727 -3.299 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.140 -16.309 -3.684 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.046 -17.446 -4.166 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.090 -16.835 -2.720 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.883 -18.074 -3.070 1.00 1.28 C ATOM 0 H ILE B 48 -10.584 -14.273 -4.781 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.472 -15.652 -2.166 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.635 -15.888 -4.554 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.709 -17.064 -4.942 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.429 -18.218 -4.626 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.514 -17.623 -3.204 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.423 -16.023 -2.430 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.579 -17.236 -1.833 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.497 -18.870 -3.492 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.228 -18.488 -2.304 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.528 -17.316 -2.625 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.363 -13.435 -1.433 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.638 -12.283 -0.884 1.00 0.64 C ATOM 1712 C PRO B 49 -7.153 -12.238 -1.236 1.00 0.60 C ATOM 1713 O PRO B 49 -6.384 -13.117 -0.838 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.842 -12.480 0.612 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.222 -13.027 0.719 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.450 -13.851 -0.524 1.00 0.72 C ATOM 0 HA PRO B 49 -9.006 -11.339 -1.287 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.106 -13.169 1.028 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.742 -11.540 1.156 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.329 -13.638 1.615 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.954 -12.223 0.792 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.404 -14.919 -0.309 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.430 -13.655 -0.958 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.765 -11.207 -1.991 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.379 -11.023 -2.401 1.00 0.58 C ATOM 1726 C ASN B 50 -4.530 -10.588 -1.209 1.00 0.60 C ATOM 1727 O ASN B 50 -4.238 -9.404 -1.020 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.255 -10.031 -3.582 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.090 -8.755 -3.459 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.031 -8.666 -2.671 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.766 -7.764 -4.289 1.00 0.68 N ATOM 0 H ASN B 50 -7.400 -10.484 -2.331 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.002 -11.981 -2.759 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -4.207 -9.750 -3.690 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -5.543 -10.546 -4.499 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.305 -6.898 -4.284 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.979 -7.872 -4.929 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.128 -11.590 -0.422 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.335 -11.405 0.793 1.00 0.84 C ATOM 1740 C ARG B 51 -2.095 -10.558 0.565 1.00 0.76 C ATOM 1741 O ARG B 51 -1.674 -9.833 1.459 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.904 -12.764 1.353 1.00 1.06 C ATOM 1743 CG ARG B 51 -4.001 -13.818 1.331 1.00 1.68 C ATOM 1744 CD ARG B 51 -5.170 -13.433 2.221 1.00 2.18 C ATOM 1745 NE ARG B 51 -6.324 -14.303 2.017 1.00 2.97 N ATOM 1746 CZ ARG B 51 -7.033 -14.836 3.009 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -6.704 -14.595 4.273 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -8.071 -15.611 2.738 1.00 4.76 N ATOM 0 H ARG B 51 -4.349 -12.567 -0.616 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.975 -10.880 1.502 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -2.052 -13.129 0.779 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.563 -12.631 2.380 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -4.352 -13.956 0.308 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -3.593 -14.774 1.659 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -4.861 -13.480 3.265 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -5.455 -12.400 2.019 1.00 2.18 H new ATOM 0 HE ARG B 51 -6.603 -14.515 1.059 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -5.905 -13.999 4.487 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -7.251 -15.006 5.030 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -8.327 -15.800 1.769 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -8.615 -16.020 3.498 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.512 -10.650 -0.621 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.305 -9.897 -0.933 1.00 0.62 C ATOM 1764 C CYS B 52 -0.486 -8.405 -0.688 1.00 0.58 C ATOM 1765 O CYS B 52 0.323 -7.773 -0.007 1.00 0.61 O ATOM 1766 CB CYS B 52 0.112 -10.137 -2.381 1.00 0.66 C ATOM 1767 SG CYS B 52 0.720 -11.829 -2.711 1.00 0.70 S ATOM 0 H CYS B 52 -1.854 -11.237 -1.382 1.00 0.66 H new ATOM 0 HA CYS B 52 0.480 -10.252 -0.265 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.739 -9.935 -3.031 1.00 0.66 H new ATOM 0 HB3 CYS B 52 0.892 -9.424 -2.646 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.566 -7.859 -1.215 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.846 -6.441 -1.071 1.00 0.52 C ATOM 1774 C ALA B 53 -2.685 -6.163 0.168 1.00 0.51 C ATOM 1775 O ALA B 53 -2.607 -5.082 0.743 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.520 -5.924 -2.323 1.00 0.53 C ATOM 0 H ALA B 53 -2.265 -8.376 -1.748 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.903 -5.911 -0.939 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.728 -4.860 -2.211 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.863 -6.077 -3.179 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.455 -6.462 -2.482 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.470 -7.147 0.591 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.315 -6.991 1.772 1.00 0.53 C ATOM 1784 C GLN B 54 -3.487 -6.977 3.055 1.00 0.58 C ATOM 1785 O GLN B 54 -3.643 -6.089 3.886 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.373 -8.092 1.829 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.507 -7.883 0.848 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.648 -8.851 1.070 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.446 -9.967 1.543 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.852 -8.428 0.735 1.00 0.64 N ATOM 0 H GLN B 54 -3.540 -8.058 0.137 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.819 -6.028 1.691 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.899 -9.053 1.627 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.780 -8.143 2.839 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.878 -6.862 0.938 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.130 -7.997 -0.168 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -8.974 -7.493 0.345 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.661 -9.036 0.866 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.602 -7.959 3.211 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.748 -8.028 4.396 1.00 0.62 C ATOM 1801 C GLN B 55 -0.799 -6.838 4.403 1.00 0.60 C ATOM 1802 O GLN B 55 -0.394 -6.352 5.462 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.962 -9.341 4.438 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.819 -10.553 4.794 1.00 1.19 C ATOM 1805 CD GLN B 55 -2.231 -10.574 6.256 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -1.551 -11.153 7.103 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -3.350 -9.938 6.561 1.00 2.52 N ATOM 0 H GLN B 55 -2.457 -8.712 2.539 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.379 -7.995 5.284 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.497 -9.508 3.467 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.156 -9.250 5.166 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.712 -10.557 4.169 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.266 -11.464 4.564 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -3.886 -9.470 5.830 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -3.677 -9.916 7.527 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.435 -6.404 3.199 1.00 0.54 N ATOM 1817 CA LEU B 56 0.418 -5.243 3.001 1.00 0.53 C ATOM 1818 C LEU B 56 -0.266 -4.008 3.543 1.00 0.55 C ATOM 1819 O LEU B 56 0.185 -3.415 4.519 1.00 0.58 O ATOM 1820 CB LEU B 56 0.683 -5.067 1.510 1.00 0.48 C ATOM 1821 CG LEU B 56 1.932 -4.282 1.166 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.113 -4.832 1.918 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.187 -4.352 -0.314 1.00 0.46 C ATOM 0 H LEU B 56 -0.727 -6.853 2.331 1.00 0.54 H new ATOM 0 HA LEU B 56 1.361 -5.389 3.528 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.755 -6.053 1.051 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.176 -4.568 1.061 1.00 0.48 H new ATOM 0 HG LEU B 56 1.786 -3.241 1.454 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.005 -4.260 1.663 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.929 -4.758 2.990 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.262 -5.877 1.647 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.086 -3.786 -0.555 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.322 -5.392 -0.611 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.337 -3.929 -0.850 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.385 -3.675 2.926 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.163 -2.513 3.294 1.00 0.59 C ATOM 1837 C ALA B 57 -2.644 -2.582 4.743 1.00 0.68 C ATOM 1838 O ALA B 57 -2.672 -1.567 5.444 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.318 -2.374 2.321 1.00 0.55 C ATOM 0 H ALA B 57 -1.779 -4.208 2.151 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.532 -1.626 3.233 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.914 -1.501 2.586 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.929 -2.254 1.310 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.942 -3.267 2.367 1.00 0.55 H new