USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 92 GLN : amide:sc= 0 X(o=0,f=0.00051) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 31:sc= -0.596! USER MOD Single : A 9 SER OG : rot 180:sc= -0.0013 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.145 K(o=0.15,f=-3.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.32 USER MOD Single : A 34 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.43) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.81! C(o=-3.6!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 130:sc= -0.672 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.35 F(o=-1,f=-0.35) USER MOD Single : A 44 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 47 SER OG : rot 110:sc= -0.476 USER MOD Single : A 48 SER OG : rot 180:sc= -0.644 USER MOD Single : A 49 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.4) USER MOD Single : A 50 THR OG1 : rot 168:sc= 0.65 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.16! C(o=-4.2!,f=-11!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.385 USER MOD Single : A 62 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-8.2!) USER MOD Single : A 67 THR OG1 : rot -170:sc= -0.0702 USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00394 F(o=-0.51,f=-0.0039) USER MOD Single : A 72 ASN : amide:sc= -0.893 X(o=-0.89,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.864 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 2.855 7.173 -2.677 1.00 72.13 N ATOM 43 CA ALA A 4 4.189 7.587 -3.094 1.00 72.13 C ATOM 44 C ALA A 4 4.240 9.088 -3.360 1.00 72.54 C ATOM 45 O ALA A 4 3.269 9.678 -3.836 1.00 34.43 O ATOM 46 CB ALA A 4 4.618 6.814 -4.333 1.00 10.41 C ATOM 0 HA ALA A 4 4.882 7.365 -2.283 1.00 72.13 H new ATOM 0 HB1 ALA A 4 5.616 7.133 -4.634 1.00 10.41 H new ATOM 0 HB2 ALA A 4 4.630 5.747 -4.110 1.00 10.41 H new ATOM 0 HB3 ALA A 4 3.916 7.007 -5.144 1.00 10.41 H new ATOM 52 N LEU A 5 5.377 9.700 -3.051 1.00 1.13 N ATOM 53 CA LEU A 5 5.555 11.133 -3.256 1.00 14.51 C ATOM 54 C LEU A 5 5.191 11.528 -4.684 1.00 3.22 C ATOM 55 O LEU A 5 5.139 10.684 -5.578 1.00 52.03 O ATOM 56 CB LEU A 5 6.999 11.537 -2.955 1.00 62.30 C ATOM 57 CG LEU A 5 8.069 10.928 -3.862 1.00 71.41 C ATOM 58 CD1 LEU A 5 9.209 11.911 -4.077 1.00 61.43 C ATOM 59 CD2 LEU A 5 8.589 9.625 -3.272 1.00 64.15 C ATOM 0 H LEU A 5 6.190 9.226 -2.657 1.00 1.13 H new ATOM 0 HA LEU A 5 4.888 11.658 -2.572 1.00 14.51 H new ATOM 0 HB2 LEU A 5 7.072 12.623 -3.019 1.00 62.30 H new ATOM 0 HB3 LEU A 5 7.225 11.262 -1.925 1.00 62.30 H new ATOM 0 HG LEU A 5 7.617 10.711 -4.830 1.00 71.41 H new ATOM 0 HD11 LEU A 5 9.961 11.460 -4.725 1.00 61.43 H new ATOM 0 HD12 LEU A 5 8.824 12.818 -4.544 1.00 61.43 H new ATOM 0 HD13 LEU A 5 9.660 12.161 -3.117 1.00 61.43 H new ATOM 0 HD21 LEU A 5 9.350 9.205 -3.930 1.00 64.15 H new ATOM 0 HD22 LEU A 5 9.024 9.818 -2.291 1.00 64.15 H new ATOM 0 HD23 LEU A 5 7.766 8.917 -3.171 1.00 64.15 H new ATOM 71 N VAL A 6 4.943 12.818 -4.891 1.00 21.41 N ATOM 72 CA VAL A 6 4.588 13.325 -6.211 1.00 2.43 C ATOM 73 C VAL A 6 5.054 14.766 -6.389 1.00 2.01 C ATOM 74 O VAL A 6 5.593 15.130 -7.434 1.00 52.30 O ATOM 75 CB VAL A 6 3.068 13.256 -6.449 1.00 0.04 C ATOM 76 CG1 VAL A 6 2.712 13.845 -7.805 1.00 42.02 C ATOM 77 CG2 VAL A 6 2.577 11.821 -6.336 1.00 35.21 C ATOM 0 H VAL A 6 4.981 13.530 -4.162 1.00 21.41 H new ATOM 0 HA VAL A 6 5.091 12.690 -6.940 1.00 2.43 H new ATOM 0 HB VAL A 6 2.570 13.848 -5.681 1.00 0.04 H new ATOM 0 HG11 VAL A 6 1.634 13.787 -7.955 1.00 42.02 H new ATOM 0 HG12 VAL A 6 3.028 14.887 -7.843 1.00 42.02 H new ATOM 0 HG13 VAL A 6 3.218 13.283 -8.590 1.00 42.02 H new ATOM 0 HG21 VAL A 6 1.501 11.790 -6.507 1.00 35.21 H new ATOM 0 HG22 VAL A 6 3.081 11.204 -7.081 1.00 35.21 H new ATOM 0 HG23 VAL A 6 2.797 11.439 -5.339 1.00 35.21 H new ATOM 87 N SER A 7 4.844 15.582 -5.361 1.00 35.22 N ATOM 88 CA SER A 7 5.239 16.985 -5.405 1.00 21.45 C ATOM 89 C SER A 7 5.120 17.626 -4.025 1.00 64.22 C ATOM 90 O SER A 7 4.543 17.044 -3.106 1.00 63.00 O ATOM 91 CB SER A 7 4.376 17.749 -6.411 1.00 21.45 C ATOM 92 OG SER A 7 4.915 17.657 -7.718 1.00 32.30 O ATOM 0 H SER A 7 4.402 15.296 -4.487 1.00 35.22 H new ATOM 0 HA SER A 7 6.281 17.034 -5.721 1.00 21.45 H new ATOM 0 HB2 SER A 7 3.362 17.349 -6.403 1.00 21.45 H new ATOM 0 HB3 SER A 7 4.308 18.796 -6.115 1.00 21.45 H new ATOM 0 HG SER A 7 5.385 16.803 -7.819 1.00 32.30 H new ATOM 98 N ILE A 8 5.671 18.828 -3.889 1.00 75.51 N ATOM 99 CA ILE A 8 5.626 19.549 -2.623 1.00 72.32 C ATOM 100 C ILE A 8 5.358 21.033 -2.845 1.00 53.35 C ATOM 101 O ILE A 8 5.853 21.628 -3.803 1.00 71.50 O ATOM 102 CB ILE A 8 6.940 19.388 -1.837 1.00 43.00 C ATOM 103 CG1 ILE A 8 6.955 20.327 -0.629 1.00 24.43 C ATOM 104 CG2 ILE A 8 8.134 19.659 -2.740 1.00 42.32 C ATOM 105 CD1 ILE A 8 8.153 20.131 0.274 1.00 65.33 C ATOM 0 H ILE A 8 6.153 19.322 -4.640 1.00 75.51 H new ATOM 0 HA ILE A 8 4.810 19.118 -2.043 1.00 72.32 H new ATOM 0 HB ILE A 8 7.007 18.361 -1.477 1.00 43.00 H new ATOM 0 HG12 ILE A 8 6.940 21.359 -0.981 1.00 24.43 H new ATOM 0 HG13 ILE A 8 6.045 20.175 -0.049 1.00 24.43 H new ATOM 0 HG21 ILE A 8 9.056 19.541 -2.170 1.00 42.32 H new ATOM 0 HG22 ILE A 8 8.129 18.954 -3.571 1.00 42.32 H new ATOM 0 HG23 ILE A 8 8.074 20.676 -3.127 1.00 42.32 H new ATOM 0 HD11 ILE A 8 8.098 20.830 1.109 1.00 65.33 H new ATOM 0 HD12 ILE A 8 8.158 19.110 0.655 1.00 65.33 H new ATOM 0 HD13 ILE A 8 9.068 20.312 -0.291 1.00 65.33 H new ATOM 117 N SER A 9 4.572 21.627 -1.953 1.00 51.30 N ATOM 118 CA SER A 9 4.236 23.043 -2.052 1.00 70.23 C ATOM 119 C SER A 9 5.154 23.882 -1.169 1.00 42.33 C ATOM 120 O SER A 9 5.069 23.834 0.058 1.00 63.31 O ATOM 121 CB SER A 9 2.777 23.272 -1.653 1.00 71.43 C ATOM 122 OG SER A 9 1.963 22.180 -2.047 1.00 3.12 O ATOM 0 H SER A 9 4.156 21.150 -1.153 1.00 51.30 H new ATOM 0 HA SER A 9 4.375 23.352 -3.088 1.00 70.23 H new ATOM 0 HB2 SER A 9 2.709 23.409 -0.574 1.00 71.43 H new ATOM 0 HB3 SER A 9 2.410 24.189 -2.115 1.00 71.43 H new ATOM 0 HG SER A 9 1.036 22.350 -1.779 1.00 3.12 H new ATOM 128 N VAL A 10 6.033 24.652 -1.803 1.00 53.45 N ATOM 129 CA VAL A 10 6.967 25.504 -1.077 1.00 40.22 C ATOM 130 C VAL A 10 6.713 26.978 -1.376 1.00 24.42 C ATOM 131 O VAL A 10 6.530 27.365 -2.530 1.00 13.14 O ATOM 132 CB VAL A 10 8.427 25.164 -1.430 1.00 42.11 C ATOM 133 CG1 VAL A 10 8.835 23.841 -0.800 1.00 74.24 C ATOM 134 CG2 VAL A 10 8.615 25.126 -2.939 1.00 42.12 C ATOM 0 H VAL A 10 6.118 24.703 -2.818 1.00 53.45 H new ATOM 0 HA VAL A 10 6.805 25.319 -0.015 1.00 40.22 H new ATOM 0 HB VAL A 10 9.071 25.945 -1.026 1.00 42.11 H new ATOM 0 HG11 VAL A 10 9.870 23.618 -1.061 1.00 74.24 H new ATOM 0 HG12 VAL A 10 8.740 23.910 0.284 1.00 74.24 H new ATOM 0 HG13 VAL A 10 8.188 23.046 -1.171 1.00 74.24 H new ATOM 0 HG21 VAL A 10 9.652 24.884 -3.170 1.00 42.12 H new ATOM 0 HG22 VAL A 10 7.961 24.367 -3.368 1.00 42.12 H new ATOM 0 HG23 VAL A 10 8.366 26.100 -3.361 1.00 42.12 H new ATOM 144 N SER A 11 6.705 27.795 -0.328 1.00 4.22 N ATOM 145 CA SER A 11 6.471 29.227 -0.477 1.00 20.31 C ATOM 146 C SER A 11 7.712 30.024 -0.088 1.00 24.22 C ATOM 147 O SER A 11 7.747 30.706 0.936 1.00 5.23 O ATOM 148 CB SER A 11 5.282 29.662 0.381 1.00 14.30 C ATOM 149 OG SER A 11 4.070 29.117 -0.112 1.00 42.01 O ATOM 0 H SER A 11 6.858 27.490 0.633 1.00 4.22 H new ATOM 0 HA SER A 11 6.247 29.426 -1.525 1.00 20.31 H new ATOM 0 HB2 SER A 11 5.436 29.341 1.411 1.00 14.30 H new ATOM 0 HB3 SER A 11 5.217 30.750 0.393 1.00 14.30 H new ATOM 0 HG SER A 11 3.326 29.409 0.455 1.00 42.01 H new ATOM 155 N PRO A 12 8.757 29.936 -0.925 1.00 0.24 N ATOM 156 CA PRO A 12 10.020 30.642 -0.691 1.00 1.55 C ATOM 157 C PRO A 12 9.882 32.151 -0.865 1.00 14.02 C ATOM 158 O PRO A 12 9.154 32.622 -1.740 1.00 65.22 O ATOM 159 CB PRO A 12 10.953 30.064 -1.758 1.00 12.33 C ATOM 160 CG PRO A 12 10.045 29.602 -2.844 1.00 54.25 C ATOM 161 CD PRO A 12 8.785 29.141 -2.164 1.00 4.41 C ATOM 0 HA PRO A 12 10.380 30.505 0.329 1.00 1.55 H new ATOM 0 HB2 PRO A 12 11.654 30.816 -2.121 1.00 12.33 H new ATOM 0 HB3 PRO A 12 11.547 29.241 -1.361 1.00 12.33 H new ATOM 0 HG2 PRO A 12 9.836 30.408 -3.547 1.00 54.25 H new ATOM 0 HG3 PRO A 12 10.499 28.792 -3.414 1.00 54.25 H new ATOM 0 HD2 PRO A 12 7.905 29.326 -2.780 1.00 4.41 H new ATOM 0 HD3 PRO A 12 8.809 28.071 -1.955 1.00 4.41 H new ATOM 169 N THR A 13 10.584 32.906 -0.026 1.00 4.10 N ATOM 170 CA THR A 13 10.539 34.362 -0.087 1.00 23.51 C ATOM 171 C THR A 13 11.904 34.939 -0.444 1.00 51.40 C ATOM 172 O THR A 13 12.853 34.840 0.332 1.00 31.24 O ATOM 173 CB THR A 13 10.073 34.966 1.251 1.00 32.41 C ATOM 174 OG1 THR A 13 8.866 34.327 1.683 1.00 70.04 O ATOM 175 CG2 THR A 13 9.840 36.463 1.117 1.00 61.01 C ATOM 0 H THR A 13 11.191 32.533 0.704 1.00 4.10 H new ATOM 0 HA THR A 13 9.822 34.624 -0.865 1.00 23.51 H new ATOM 0 HB THR A 13 10.856 34.801 1.991 1.00 32.41 H new ATOM 0 HG1 THR A 13 8.577 34.715 2.535 1.00 70.04 H new ATOM 0 HG21 THR A 13 9.512 36.867 2.074 1.00 61.01 H new ATOM 0 HG22 THR A 13 10.768 36.950 0.816 1.00 61.01 H new ATOM 0 HG23 THR A 13 9.074 36.646 0.364 1.00 61.01 H new ATOM 183 N ASN A 14 11.995 35.544 -1.624 1.00 12.41 N ATOM 184 CA ASN A 14 13.245 36.139 -2.084 1.00 34.02 C ATOM 185 C ASN A 14 13.296 37.626 -1.748 1.00 15.33 C ATOM 186 O ASN A 14 13.050 38.475 -2.604 1.00 53.52 O ATOM 187 CB ASN A 14 13.404 35.940 -3.592 1.00 74.24 C ATOM 188 CG ASN A 14 12.172 36.371 -4.365 1.00 62.05 C ATOM 189 OD1 ASN A 14 11.101 35.779 -4.230 1.00 25.15 O ATOM 190 ND2 ASN A 14 12.320 37.407 -5.183 1.00 13.45 N ATOM 0 H ASN A 14 11.218 35.635 -2.279 1.00 12.41 H new ATOM 0 HA ASN A 14 14.066 35.640 -1.570 1.00 34.02 H new ATOM 0 HB2 ASN A 14 14.266 36.508 -3.942 1.00 74.24 H new ATOM 0 HB3 ASN A 14 13.610 34.889 -3.797 1.00 74.24 H new ATOM 0 HD21 ASN A 14 11.527 37.742 -5.731 1.00 13.45 H new ATOM 0 HD22 ASN A 14 13.226 37.868 -5.264 1.00 13.45 H new ATOM 197 N SER A 15 13.617 37.934 -0.495 1.00 72.31 N ATOM 198 CA SER A 15 13.697 39.318 -0.044 1.00 41.23 C ATOM 199 C SER A 15 14.929 39.535 0.829 1.00 62.50 C ATOM 200 O SER A 15 15.802 38.670 0.918 1.00 42.43 O ATOM 201 CB SER A 15 12.435 39.698 0.732 1.00 33.00 C ATOM 202 OG SER A 15 12.050 41.034 0.458 1.00 72.14 O ATOM 0 H SER A 15 13.826 37.243 0.226 1.00 72.31 H new ATOM 0 HA SER A 15 13.780 39.956 -0.924 1.00 41.23 H new ATOM 0 HB2 SER A 15 11.623 39.021 0.466 1.00 33.00 H new ATOM 0 HB3 SER A 15 12.612 39.579 1.801 1.00 33.00 H new ATOM 0 HG SER A 15 11.240 41.252 0.965 1.00 72.14 H new ATOM 208 N THR A 16 14.994 40.696 1.473 1.00 33.44 N ATOM 209 CA THR A 16 16.118 41.028 2.339 1.00 61.10 C ATOM 210 C THR A 16 15.676 41.148 3.793 1.00 41.11 C ATOM 211 O THR A 16 14.516 41.448 4.077 1.00 63.10 O ATOM 212 CB THR A 16 16.789 42.346 1.908 1.00 72.24 C ATOM 213 OG1 THR A 16 17.656 42.817 2.945 1.00 31.23 O ATOM 214 CG2 THR A 16 15.745 43.406 1.592 1.00 52.22 C ATOM 0 H THR A 16 14.281 41.423 1.411 1.00 33.44 H new ATOM 0 HA THR A 16 16.838 40.215 2.247 1.00 61.10 H new ATOM 0 HB THR A 16 17.373 42.153 1.008 1.00 72.24 H new ATOM 0 HG1 THR A 16 18.395 42.185 3.065 1.00 31.23 H new ATOM 0 HG21 THR A 16 16.242 44.328 1.290 1.00 52.22 H new ATOM 0 HG22 THR A 16 15.105 43.056 0.782 1.00 52.22 H new ATOM 0 HG23 THR A 16 15.138 43.594 2.478 1.00 52.22 H new ATOM 222 N VAL A 17 16.608 40.913 4.711 1.00 31.04 N ATOM 223 CA VAL A 17 16.314 40.997 6.137 1.00 24.21 C ATOM 224 C VAL A 17 17.414 41.746 6.881 1.00 21.44 C ATOM 225 O VAL A 17 18.557 41.800 6.429 1.00 3.43 O ATOM 226 CB VAL A 17 16.149 39.598 6.759 1.00 24.53 C ATOM 227 CG1 VAL A 17 17.485 38.871 6.803 1.00 43.44 C ATOM 228 CG2 VAL A 17 15.545 39.702 8.151 1.00 34.12 C ATOM 0 H VAL A 17 17.573 40.663 4.493 1.00 31.04 H new ATOM 0 HA VAL A 17 15.376 41.543 6.236 1.00 24.21 H new ATOM 0 HB VAL A 17 15.468 39.020 6.134 1.00 24.53 H new ATOM 0 HG11 VAL A 17 17.348 37.884 7.246 1.00 43.44 H new ATOM 0 HG12 VAL A 17 17.874 38.764 5.791 1.00 43.44 H new ATOM 0 HG13 VAL A 17 18.191 39.444 7.404 1.00 43.44 H new ATOM 0 HG21 VAL A 17 15.435 38.704 8.576 1.00 34.12 H new ATOM 0 HG22 VAL A 17 16.199 40.298 8.788 1.00 34.12 H new ATOM 0 HG23 VAL A 17 14.567 40.179 8.089 1.00 34.12 H new ATOM 238 N ALA A 18 17.060 42.321 8.026 1.00 43.01 N ATOM 239 CA ALA A 18 18.018 43.065 8.835 1.00 32.20 C ATOM 240 C ALA A 18 19.048 42.132 9.462 1.00 65.02 C ATOM 241 O ALA A 18 18.739 40.993 9.812 1.00 13.14 O ATOM 242 CB ALA A 18 17.294 43.857 9.914 1.00 23.52 C ATOM 0 H ALA A 18 16.117 42.286 8.414 1.00 43.01 H new ATOM 0 HA ALA A 18 18.546 43.760 8.182 1.00 32.20 H new ATOM 0 HB1 ALA A 18 18.021 44.408 10.511 1.00 23.52 H new ATOM 0 HB2 ALA A 18 16.601 44.558 9.448 1.00 23.52 H new ATOM 0 HB3 ALA A 18 16.740 43.173 10.557 1.00 23.52 H new ATOM 248 N LYS A 19 20.276 42.621 9.600 1.00 50.42 N ATOM 249 CA LYS A 19 21.354 41.832 10.185 1.00 55.41 C ATOM 250 C LYS A 19 20.928 41.239 11.524 1.00 71.31 C ATOM 251 O LYS A 19 20.323 41.919 12.352 1.00 43.15 O ATOM 252 CB LYS A 19 22.603 42.697 10.372 1.00 35.32 C ATOM 253 CG LYS A 19 22.518 43.638 11.561 1.00 1.21 C ATOM 254 CD LYS A 19 23.227 43.066 12.777 1.00 64.01 C ATOM 255 CE LYS A 19 24.731 42.988 12.560 1.00 72.34 C ATOM 256 NZ LYS A 19 25.459 42.687 13.823 1.00 10.44 N ATOM 0 H LYS A 19 20.550 43.561 9.314 1.00 50.42 H new ATOM 0 HA LYS A 19 21.585 41.014 9.502 1.00 55.41 H new ATOM 0 HB2 LYS A 19 23.470 42.047 10.495 1.00 35.32 H new ATOM 0 HB3 LYS A 19 22.768 43.282 9.467 1.00 35.32 H new ATOM 0 HG2 LYS A 19 22.962 44.598 11.298 1.00 1.21 H new ATOM 0 HG3 LYS A 19 21.472 43.826 11.803 1.00 1.21 H new ATOM 0 HD2 LYS A 19 23.016 43.686 13.648 1.00 64.01 H new ATOM 0 HD3 LYS A 19 22.837 42.071 12.992 1.00 64.01 H new ATOM 0 HE2 LYS A 19 24.952 42.218 11.821 1.00 72.34 H new ATOM 0 HE3 LYS A 19 25.088 43.933 12.151 1.00 72.34 H new ATOM 0 HZ1 LYS A 19 26.480 42.642 13.633 1.00 10.44 H new ATOM 0 HZ2 LYS A 19 25.269 43.435 14.520 1.00 10.44 H new ATOM 0 HZ3 LYS A 19 25.137 41.773 14.200 1.00 10.44 H new ATOM 270 N GLY A 20 21.249 39.965 11.731 1.00 42.14 N ATOM 271 CA GLY A 20 20.893 39.302 12.971 1.00 3.25 C ATOM 272 C GLY A 20 19.413 38.988 13.057 1.00 12.21 C ATOM 273 O GLY A 20 18.682 39.611 13.829 1.00 50.03 O ATOM 0 H GLY A 20 21.749 39.381 11.061 1.00 42.14 H new ATOM 0 HA2 GLY A 20 21.463 38.377 13.062 1.00 3.25 H new ATOM 0 HA3 GLY A 20 21.176 39.935 13.812 1.00 3.25 H new ATOM 277 N LEU A 21 18.968 38.021 12.262 1.00 11.33 N ATOM 278 CA LEU A 21 17.564 37.626 12.250 1.00 14.40 C ATOM 279 C LEU A 21 17.392 36.245 11.627 1.00 32.20 C ATOM 280 O LEU A 21 18.354 35.648 11.144 1.00 34.13 O ATOM 281 CB LEU A 21 16.732 38.653 11.479 1.00 35.13 C ATOM 282 CG LEU A 21 15.848 39.571 12.324 1.00 12.23 C ATOM 283 CD1 LEU A 21 16.285 41.020 12.173 1.00 72.01 C ATOM 284 CD2 LEU A 21 14.385 39.410 11.935 1.00 25.12 C ATOM 0 H LEU A 21 19.559 37.496 11.617 1.00 11.33 H new ATOM 0 HA LEU A 21 17.215 37.585 13.282 1.00 14.40 H new ATOM 0 HB2 LEU A 21 17.410 39.273 10.893 1.00 35.13 H new ATOM 0 HB3 LEU A 21 16.096 38.119 10.772 1.00 35.13 H new ATOM 0 HG LEU A 21 15.958 39.287 13.370 1.00 12.23 H new ATOM 0 HD11 LEU A 21 15.645 41.658 12.781 1.00 72.01 H new ATOM 0 HD12 LEU A 21 17.319 41.124 12.502 1.00 72.01 H new ATOM 0 HD13 LEU A 21 16.205 41.317 11.127 1.00 72.01 H new ATOM 0 HD21 LEU A 21 13.771 40.071 12.547 1.00 25.12 H new ATOM 0 HD22 LEU A 21 14.258 39.667 10.883 1.00 25.12 H new ATOM 0 HD23 LEU A 21 14.077 38.377 12.096 1.00 25.12 H new ATOM 296 N GLN A 22 16.161 35.744 11.640 1.00 14.40 N ATOM 297 CA GLN A 22 15.863 34.434 11.075 1.00 63.43 C ATOM 298 C GLN A 22 14.430 34.377 10.556 1.00 21.21 C ATOM 299 O GLN A 22 13.589 35.188 10.941 1.00 50.34 O ATOM 300 CB GLN A 22 16.083 33.341 12.123 1.00 53.13 C ATOM 301 CG GLN A 22 15.257 33.534 13.385 1.00 63.04 C ATOM 302 CD GLN A 22 15.368 32.362 14.339 1.00 25.25 C ATOM 303 OE1 GLN A 22 14.362 31.791 14.760 1.00 74.24 O ATOM 304 NE2 GLN A 22 16.597 31.996 14.688 1.00 55.12 N ATOM 0 H GLN A 22 15.354 36.226 12.036 1.00 14.40 H new ATOM 0 HA GLN A 22 16.540 34.266 10.237 1.00 63.43 H new ATOM 0 HB2 GLN A 22 15.840 32.374 11.684 1.00 53.13 H new ATOM 0 HB3 GLN A 22 17.139 33.313 12.391 1.00 53.13 H new ATOM 0 HG2 GLN A 22 15.582 34.442 13.892 1.00 63.04 H new ATOM 0 HG3 GLN A 22 14.212 33.678 13.112 1.00 63.04 H new ATOM 0 HE21 GLN A 22 17.404 32.497 14.315 1.00 55.12 H new ATOM 0 HE22 GLN A 22 16.734 31.214 15.328 1.00 55.12 H new ATOM 313 N GLU A 23 14.160 33.413 9.681 1.00 44.10 N ATOM 314 CA GLU A 23 12.829 33.252 9.109 1.00 13.32 C ATOM 315 C GLU A 23 12.451 31.777 9.015 1.00 24.44 C ATOM 316 O GLU A 23 13.297 30.925 8.746 1.00 24.15 O ATOM 317 CB GLU A 23 12.764 33.896 7.723 1.00 74.25 C ATOM 318 CG GLU A 23 11.866 35.120 7.661 1.00 0.22 C ATOM 319 CD GLU A 23 10.510 34.820 7.052 1.00 21.35 C ATOM 320 OE1 GLU A 23 10.116 33.635 7.039 1.00 63.54 O ATOM 321 OE2 GLU A 23 9.843 35.769 6.590 1.00 63.40 O ATOM 0 H GLU A 23 14.845 32.732 9.353 1.00 44.10 H new ATOM 0 HA GLU A 23 12.117 33.750 9.767 1.00 13.32 H new ATOM 0 HB2 GLU A 23 13.771 34.179 7.416 1.00 74.25 H new ATOM 0 HB3 GLU A 23 12.407 33.158 7.005 1.00 74.25 H new ATOM 0 HG2 GLU A 23 11.728 35.516 8.667 1.00 0.22 H new ATOM 0 HG3 GLU A 23 12.358 35.898 7.077 1.00 0.22 H new ATOM 328 N ASN A 24 11.175 31.483 9.240 1.00 72.21 N ATOM 329 CA ASN A 24 10.685 30.110 9.182 1.00 13.40 C ATOM 330 C ASN A 24 10.066 29.811 7.820 1.00 62.30 C ATOM 331 O ASN A 24 9.369 30.647 7.245 1.00 32.22 O ATOM 332 CB ASN A 24 9.655 29.868 10.287 1.00 74.30 C ATOM 333 CG ASN A 24 10.266 29.940 11.673 1.00 33.11 C ATOM 334 OD1 ASN A 24 10.348 28.936 12.380 1.00 32.44 O ATOM 335 ND2 ASN A 24 10.698 31.132 12.068 1.00 71.14 N ATOM 0 H ASN A 24 10.461 32.176 9.464 1.00 72.21 H new ATOM 0 HA ASN A 24 11.532 29.441 9.331 1.00 13.40 H new ATOM 0 HB2 ASN A 24 8.858 30.607 10.205 1.00 74.30 H new ATOM 0 HB3 ASN A 24 9.197 28.889 10.145 1.00 74.30 H new ATOM 0 HD21 ASN A 24 11.118 31.242 12.991 1.00 71.14 H new ATOM 0 HD22 ASN A 24 10.610 31.937 11.448 1.00 71.14 H new ATOM 342 N PHE A 25 10.326 28.612 7.309 1.00 22.32 N ATOM 343 CA PHE A 25 9.796 28.201 6.014 1.00 34.15 C ATOM 344 C PHE A 25 8.654 27.203 6.186 1.00 12.33 C ATOM 345 O PHE A 25 8.362 26.761 7.298 1.00 63.34 O ATOM 346 CB PHE A 25 10.903 27.583 5.158 1.00 1.04 C ATOM 347 CG PHE A 25 11.397 28.492 4.070 1.00 40.33 C ATOM 348 CD1 PHE A 25 11.698 29.818 4.339 1.00 22.51 C ATOM 349 CD2 PHE A 25 11.560 28.022 2.777 1.00 74.34 C ATOM 350 CE1 PHE A 25 12.153 30.657 3.340 1.00 62.14 C ATOM 351 CE2 PHE A 25 12.015 28.856 1.773 1.00 14.12 C ATOM 352 CZ PHE A 25 12.311 30.176 2.055 1.00 74.43 C ATOM 0 H PHE A 25 10.901 27.908 7.772 1.00 22.32 H new ATOM 0 HA PHE A 25 9.409 29.087 5.510 1.00 34.15 H new ATOM 0 HB2 PHE A 25 11.740 27.311 5.801 1.00 1.04 H new ATOM 0 HB3 PHE A 25 10.533 26.661 4.710 1.00 1.04 H new ATOM 0 HD1 PHE A 25 11.575 30.200 5.342 1.00 22.51 H new ATOM 0 HD2 PHE A 25 11.329 26.992 2.551 1.00 74.34 H new ATOM 0 HE1 PHE A 25 12.385 31.688 3.564 1.00 62.14 H new ATOM 0 HE2 PHE A 25 12.139 28.477 0.770 1.00 14.12 H new ATOM 0 HZ PHE A 25 12.665 30.830 1.272 1.00 74.43 H new ATOM 362 N LYS A 26 8.010 26.854 5.078 1.00 72.21 N ATOM 363 CA LYS A 26 6.900 25.908 5.103 1.00 1.41 C ATOM 364 C LYS A 26 6.898 25.038 3.850 1.00 3.04 C ATOM 365 O LYS A 26 7.028 25.540 2.734 1.00 23.14 O ATOM 366 CB LYS A 26 5.569 26.655 5.220 1.00 45.21 C ATOM 367 CG LYS A 26 4.427 25.788 5.721 1.00 3.30 C ATOM 368 CD LYS A 26 4.493 25.596 7.227 1.00 75.22 C ATOM 369 CE LYS A 26 4.236 24.148 7.615 1.00 30.22 C ATOM 370 NZ LYS A 26 4.138 23.979 9.091 1.00 34.45 N ATOM 0 H LYS A 26 8.238 27.212 4.150 1.00 72.21 H new ATOM 0 HA LYS A 26 7.025 25.262 5.972 1.00 1.41 H new ATOM 0 HB2 LYS A 26 5.695 27.501 5.895 1.00 45.21 H new ATOM 0 HB3 LYS A 26 5.304 27.063 4.244 1.00 45.21 H new ATOM 0 HG2 LYS A 26 3.475 26.247 5.453 1.00 3.30 H new ATOM 0 HG3 LYS A 26 4.462 24.817 5.227 1.00 3.30 H new ATOM 0 HD2 LYS A 26 5.473 25.903 7.592 1.00 75.22 H new ATOM 0 HD3 LYS A 26 3.757 26.239 7.710 1.00 75.22 H new ATOM 0 HE2 LYS A 26 3.313 23.805 7.148 1.00 30.22 H new ATOM 0 HE3 LYS A 26 5.040 23.521 7.230 1.00 30.22 H new ATOM 0 HZ1 LYS A 26 3.963 22.979 9.315 1.00 34.45 H new ATOM 0 HZ2 LYS A 26 5.028 24.282 9.535 1.00 34.45 H new ATOM 0 HZ3 LYS A 26 3.355 24.558 9.455 1.00 34.45 H new ATOM 384 N ALA A 27 6.749 23.732 4.043 1.00 33.43 N ATOM 385 CA ALA A 27 6.726 22.793 2.929 1.00 63.52 C ATOM 386 C ALA A 27 5.649 21.731 3.127 1.00 41.45 C ATOM 387 O ALA A 27 5.553 21.120 4.191 1.00 32.40 O ATOM 388 CB ALA A 27 8.090 22.138 2.762 1.00 10.43 C ATOM 0 H ALA A 27 6.642 23.300 4.961 1.00 33.43 H new ATOM 0 HA ALA A 27 6.488 23.350 2.023 1.00 63.52 H new ATOM 0 HB1 ALA A 27 8.058 21.439 1.926 1.00 10.43 H new ATOM 0 HB2 ALA A 27 8.840 22.904 2.566 1.00 10.43 H new ATOM 0 HB3 ALA A 27 8.350 21.601 3.674 1.00 10.43 H new ATOM 394 N THR A 28 4.839 21.517 2.094 1.00 10.53 N ATOM 395 CA THR A 28 3.767 20.532 2.155 1.00 23.34 C ATOM 396 C THR A 28 3.956 19.449 1.099 1.00 34.33 C ATOM 397 O THR A 28 3.837 19.708 -0.098 1.00 22.35 O ATOM 398 CB THR A 28 2.388 21.189 1.960 1.00 32.32 C ATOM 399 OG1 THR A 28 2.245 22.301 2.851 1.00 75.13 O ATOM 400 CG2 THR A 28 1.271 20.186 2.209 1.00 51.31 C ATOM 0 H THR A 28 4.906 22.013 1.205 1.00 10.53 H new ATOM 0 HA THR A 28 3.808 20.081 3.146 1.00 23.34 H new ATOM 0 HB THR A 28 2.318 21.538 0.930 1.00 32.32 H new ATOM 0 HG1 THR A 28 1.366 22.714 2.720 1.00 75.13 H new ATOM 0 HG21 THR A 28 0.306 20.673 2.065 1.00 51.31 H new ATOM 0 HG22 THR A 28 1.366 19.355 1.510 1.00 51.31 H new ATOM 0 HG23 THR A 28 1.340 19.811 3.230 1.00 51.31 H new ATOM 408 N GLY A 29 4.249 18.233 1.551 1.00 63.24 N ATOM 409 CA GLY A 29 4.449 17.128 0.631 1.00 54.33 C ATOM 410 C GLY A 29 3.145 16.472 0.221 1.00 11.23 C ATOM 411 O GLY A 29 2.232 16.330 1.035 1.00 54.41 O ATOM 0 H GLY A 29 4.351 17.994 2.537 1.00 63.24 H new ATOM 0 HA2 GLY A 29 4.966 17.489 -0.258 1.00 54.33 H new ATOM 0 HA3 GLY A 29 5.096 16.384 1.096 1.00 54.33 H new ATOM 415 N ILE A 30 3.057 16.073 -1.043 1.00 30.31 N ATOM 416 CA ILE A 30 1.855 15.429 -1.558 1.00 60.12 C ATOM 417 C ILE A 30 2.173 14.055 -2.138 1.00 31.33 C ATOM 418 O ILE A 30 3.237 13.846 -2.720 1.00 25.53 O ATOM 419 CB ILE A 30 1.178 16.287 -2.643 1.00 52.01 C ATOM 420 CG1 ILE A 30 0.820 17.665 -2.084 1.00 15.51 C ATOM 421 CG2 ILE A 30 -0.063 15.586 -3.175 1.00 14.04 C ATOM 422 CD1 ILE A 30 1.897 18.705 -2.301 1.00 61.54 C ATOM 0 H ILE A 30 3.803 16.184 -1.729 1.00 30.31 H new ATOM 0 HA ILE A 30 1.172 15.316 -0.716 1.00 60.12 H new ATOM 0 HB ILE A 30 1.877 16.421 -3.468 1.00 52.01 H new ATOM 0 HG12 ILE A 30 -0.104 18.008 -2.550 1.00 15.51 H new ATOM 0 HG13 ILE A 30 0.624 17.575 -1.016 1.00 15.51 H new ATOM 0 HG21 ILE A 30 -0.530 16.205 -3.941 1.00 14.04 H new ATOM 0 HG22 ILE A 30 0.219 14.625 -3.606 1.00 14.04 H new ATOM 0 HG23 ILE A 30 -0.768 15.425 -2.359 1.00 14.04 H new ATOM 0 HD11 ILE A 30 1.574 19.657 -1.879 1.00 61.54 H new ATOM 0 HD12 ILE A 30 2.816 18.384 -1.811 1.00 61.54 H new ATOM 0 HD13 ILE A 30 2.078 18.824 -3.369 1.00 61.54 H new ATOM 434 N PHE A 31 1.241 13.121 -1.976 1.00 65.32 N ATOM 435 CA PHE A 31 1.421 11.766 -2.484 1.00 64.31 C ATOM 436 C PHE A 31 0.390 11.448 -3.563 1.00 22.31 C ATOM 437 O PHE A 31 -0.652 12.098 -3.654 1.00 44.20 O ATOM 438 CB PHE A 31 1.312 10.752 -1.343 1.00 72.13 C ATOM 439 CG PHE A 31 2.476 10.788 -0.395 1.00 41.40 C ATOM 440 CD1 PHE A 31 2.703 11.899 0.402 1.00 34.22 C ATOM 441 CD2 PHE A 31 3.344 9.712 -0.300 1.00 54.25 C ATOM 442 CE1 PHE A 31 3.774 11.935 1.275 1.00 54.10 C ATOM 443 CE2 PHE A 31 4.416 9.743 0.571 1.00 62.41 C ATOM 444 CZ PHE A 31 4.631 10.855 1.360 1.00 13.33 C ATOM 0 H PHE A 31 0.354 13.278 -1.497 1.00 65.32 H new ATOM 0 HA PHE A 31 2.415 11.700 -2.926 1.00 64.31 H new ATOM 0 HB2 PHE A 31 0.394 10.941 -0.786 1.00 72.13 H new ATOM 0 HB3 PHE A 31 1.228 9.750 -1.765 1.00 72.13 H new ATOM 0 HD1 PHE A 31 2.036 12.746 0.340 1.00 34.22 H new ATOM 0 HD2 PHE A 31 3.181 8.839 -0.914 1.00 54.25 H new ATOM 0 HE1 PHE A 31 3.941 12.807 1.890 1.00 54.10 H new ATOM 0 HE2 PHE A 31 5.085 8.898 0.634 1.00 62.41 H new ATOM 0 HZ PHE A 31 5.468 10.881 2.042 1.00 13.33 H new ATOM 454 N THR A 32 0.688 10.442 -4.380 1.00 40.31 N ATOM 455 CA THR A 32 -0.211 10.038 -5.454 1.00 3.21 C ATOM 456 C THR A 32 -1.492 9.428 -4.898 1.00 14.41 C ATOM 457 O THR A 32 -2.468 9.242 -5.625 1.00 33.53 O ATOM 458 CB THR A 32 0.461 9.022 -6.396 1.00 62.32 C ATOM 459 OG1 THR A 32 -0.441 8.656 -7.446 1.00 34.31 O ATOM 460 CG2 THR A 32 0.890 7.778 -5.633 1.00 24.21 C ATOM 0 H THR A 32 1.545 9.892 -4.318 1.00 40.31 H new ATOM 0 HA THR A 32 -0.455 10.938 -6.017 1.00 3.21 H new ATOM 0 HB THR A 32 1.347 9.489 -6.825 1.00 62.32 H new ATOM 0 HG1 THR A 32 -1.362 8.687 -7.112 1.00 34.31 H new ATOM 0 HG21 THR A 32 1.362 7.075 -6.319 1.00 24.21 H new ATOM 0 HG22 THR A 32 1.599 8.056 -4.853 1.00 24.21 H new ATOM 0 HG23 THR A 32 0.016 7.310 -5.179 1.00 24.21 H new ATOM 468 N ASP A 33 -1.483 9.121 -3.606 1.00 34.24 N ATOM 469 CA ASP A 33 -2.647 8.533 -2.951 1.00 42.44 C ATOM 470 C ASP A 33 -3.564 9.619 -2.397 1.00 30.24 C ATOM 471 O ASP A 33 -4.407 9.355 -1.540 1.00 62.32 O ATOM 472 CB ASP A 33 -2.207 7.596 -1.826 1.00 24.11 C ATOM 473 CG ASP A 33 -3.342 6.731 -1.315 1.00 52.21 C ATOM 474 OD1 ASP A 33 -3.853 5.900 -2.095 1.00 51.33 O ATOM 475 OD2 ASP A 33 -3.720 6.885 -0.135 1.00 24.22 O ATOM 0 H ASP A 33 -0.683 9.269 -2.991 1.00 34.24 H new ATOM 0 HA ASP A 33 -3.201 7.959 -3.694 1.00 42.44 H new ATOM 0 HB2 ASP A 33 -1.400 6.957 -2.184 1.00 24.11 H new ATOM 0 HB3 ASP A 33 -1.805 8.186 -1.002 1.00 24.11 H new ATOM 480 N ASN A 34 -3.392 10.841 -2.890 1.00 74.23 N ATOM 481 CA ASN A 34 -4.204 11.967 -2.443 1.00 23.15 C ATOM 482 C ASN A 34 -3.965 12.256 -0.964 1.00 23.44 C ATOM 483 O ASN A 34 -4.743 12.964 -0.325 1.00 43.43 O ATOM 484 CB ASN A 34 -5.687 11.682 -2.685 1.00 33.32 C ATOM 485 CG ASN A 34 -5.921 10.860 -3.938 1.00 0.02 C ATOM 486 OD1 ASN A 34 -6.588 9.826 -3.900 1.00 21.11 O ATOM 487 ND2 ASN A 34 -5.371 11.318 -5.056 1.00 71.24 N ATOM 0 H ASN A 34 -2.698 11.077 -3.599 1.00 74.23 H new ATOM 0 HA ASN A 34 -3.911 12.845 -3.019 1.00 23.15 H new ATOM 0 HB2 ASN A 34 -6.098 11.153 -1.825 1.00 33.32 H new ATOM 0 HB3 ASN A 34 -6.227 12.625 -2.767 1.00 33.32 H new ATOM 0 HD21 ASN A 34 -5.494 10.808 -5.931 1.00 71.24 H new ATOM 0 HD22 ASN A 34 -4.826 12.180 -5.040 1.00 71.24 H new ATOM 494 N SER A 35 -2.883 11.702 -0.425 1.00 61.45 N ATOM 495 CA SER A 35 -2.543 11.897 0.979 1.00 65.40 C ATOM 496 C SER A 35 -1.355 12.843 1.124 1.00 41.43 C ATOM 497 O SER A 35 -0.226 12.497 0.779 1.00 2.24 O ATOM 498 CB SER A 35 -2.222 10.554 1.639 1.00 15.22 C ATOM 499 OG SER A 35 -3.233 10.186 2.561 1.00 34.54 O ATOM 0 H SER A 35 -2.227 11.115 -0.940 1.00 61.45 H new ATOM 0 HA SER A 35 -3.404 12.343 1.477 1.00 65.40 H new ATOM 0 HB2 SER A 35 -2.124 9.783 0.874 1.00 15.22 H new ATOM 0 HB3 SER A 35 -1.262 10.617 2.152 1.00 15.22 H new ATOM 0 HG SER A 35 -3.006 9.324 2.968 1.00 34.54 H new ATOM 505 N ASN A 36 -1.620 14.041 1.636 1.00 22.21 N ATOM 506 CA ASN A 36 -0.574 15.039 1.826 1.00 2.15 C ATOM 507 C ASN A 36 0.023 14.941 3.227 1.00 2.21 C ATOM 508 O ASN A 36 -0.689 14.698 4.201 1.00 72.30 O ATOM 509 CB ASN A 36 -1.133 16.444 1.595 1.00 1.43 C ATOM 510 CG ASN A 36 -2.184 16.476 0.502 1.00 22.04 C ATOM 511 OD1 ASN A 36 -1.888 15.834 -0.622 1.00 12.33 O flip ATOM 512 ND2 ASN A 36 -3.249 17.070 0.667 1.00 24.03 N flip ATOM 0 H ASN A 36 -2.550 14.344 1.926 1.00 22.21 H new ATOM 0 HA ASN A 36 0.215 14.845 1.099 1.00 2.15 H new ATOM 0 HB2 ASN A 36 -1.567 16.817 2.523 1.00 1.43 H new ATOM 0 HB3 ASN A 36 -0.318 17.118 1.331 1.00 1.43 H new ATOM 0 HD21 ASN A 36 -3.434 17.550 1.548 1.00 24.03 H new ATOM 0 HD22 ASN A 36 -3.947 17.082 -0.077 1.00 24.03 H new ATOM 519 N SER A 37 1.335 15.133 3.320 1.00 41.30 N ATOM 520 CA SER A 37 2.029 15.064 4.601 1.00 61.44 C ATOM 521 C SER A 37 3.012 16.221 4.750 1.00 54.22 C ATOM 522 O SER A 37 3.399 16.852 3.766 1.00 63.41 O ATOM 523 CB SER A 37 2.770 13.731 4.732 1.00 55.34 C ATOM 524 OG SER A 37 1.860 12.655 4.880 1.00 70.33 O ATOM 0 H SER A 37 1.939 15.338 2.524 1.00 41.30 H new ATOM 0 HA SER A 37 1.285 15.138 5.394 1.00 61.44 H new ATOM 0 HB2 SER A 37 3.391 13.568 3.851 1.00 55.34 H new ATOM 0 HB3 SER A 37 3.439 13.766 5.591 1.00 55.34 H new ATOM 0 HG SER A 37 2.358 11.814 4.960 1.00 70.33 H new ATOM 530 N ASP A 38 3.410 16.495 5.987 1.00 31.12 N ATOM 531 CA ASP A 38 4.348 17.576 6.267 1.00 60.20 C ATOM 532 C ASP A 38 5.788 17.077 6.196 1.00 41.41 C ATOM 533 O ASP A 38 6.122 16.034 6.757 1.00 23.24 O ATOM 534 CB ASP A 38 4.071 18.176 7.646 1.00 54.41 C ATOM 535 CG ASP A 38 4.306 17.184 8.768 1.00 41.03 C ATOM 536 OD1 ASP A 38 4.229 15.965 8.508 1.00 61.24 O ATOM 537 OD2 ASP A 38 4.568 17.627 9.905 1.00 22.44 O ATOM 0 H ASP A 38 3.098 15.983 6.812 1.00 31.12 H new ATOM 0 HA ASP A 38 4.212 18.348 5.510 1.00 60.20 H new ATOM 0 HB2 ASP A 38 4.710 19.046 7.795 1.00 54.41 H new ATOM 0 HB3 ASP A 38 3.040 18.527 7.686 1.00 54.41 H new ATOM 542 N ILE A 39 6.635 17.830 5.502 1.00 64.54 N ATOM 543 CA ILE A 39 8.039 17.464 5.357 1.00 30.24 C ATOM 544 C ILE A 39 8.212 15.949 5.324 1.00 53.15 C ATOM 545 O ILE A 39 9.059 15.393 6.023 1.00 4.30 O ATOM 546 CB ILE A 39 8.892 18.041 6.503 1.00 74.03 C ATOM 547 CG1 ILE A 39 8.411 17.497 7.850 1.00 53.43 C ATOM 548 CG2 ILE A 39 8.837 19.561 6.489 1.00 5.31 C ATOM 549 CD1 ILE A 39 7.330 18.340 8.490 1.00 3.25 C ATOM 0 H ILE A 39 6.374 18.697 5.032 1.00 64.54 H new ATOM 0 HA ILE A 39 8.379 17.887 4.412 1.00 30.24 H new ATOM 0 HB ILE A 39 9.927 17.733 6.357 1.00 74.03 H new ATOM 0 HG12 ILE A 39 8.035 16.483 7.710 1.00 53.43 H new ATOM 0 HG13 ILE A 39 9.260 17.431 8.530 1.00 53.43 H new ATOM 0 HG21 ILE A 39 9.444 19.955 7.304 1.00 5.31 H new ATOM 0 HG22 ILE A 39 9.222 19.930 5.539 1.00 5.31 H new ATOM 0 HG23 ILE A 39 7.805 19.889 6.614 1.00 5.31 H new ATOM 0 HD11 ILE A 39 7.037 17.895 9.441 1.00 3.25 H new ATOM 0 HD12 ILE A 39 7.708 19.348 8.662 1.00 3.25 H new ATOM 0 HD13 ILE A 39 6.465 18.385 7.829 1.00 3.25 H new ATOM 561 N THR A 40 7.403 15.285 4.503 1.00 22.24 N ATOM 562 CA THR A 40 7.466 13.834 4.377 1.00 44.31 C ATOM 563 C THR A 40 8.787 13.394 3.755 1.00 34.32 C ATOM 564 O THR A 40 9.406 12.431 4.208 1.00 62.11 O ATOM 565 CB THR A 40 6.304 13.294 3.523 1.00 61.31 C ATOM 566 OG1 THR A 40 5.412 14.360 3.178 1.00 22.44 O ATOM 567 CG2 THR A 40 5.542 12.210 4.270 1.00 21.42 C ATOM 0 H THR A 40 6.697 15.729 3.916 1.00 22.24 H new ATOM 0 HA THR A 40 7.387 13.425 5.384 1.00 44.31 H new ATOM 0 HB THR A 40 6.721 12.862 2.613 1.00 61.31 H new ATOM 0 HG1 THR A 40 5.242 14.345 2.213 1.00 22.44 H new ATOM 0 HG21 THR A 40 4.726 11.844 3.647 1.00 21.42 H new ATOM 0 HG22 THR A 40 6.217 11.387 4.505 1.00 21.42 H new ATOM 0 HG23 THR A 40 5.136 12.622 5.194 1.00 21.42 H new ATOM 575 N ASP A 41 9.212 14.104 2.716 1.00 1.04 N ATOM 576 CA ASP A 41 10.461 13.787 2.033 1.00 31.13 C ATOM 577 C ASP A 41 11.641 14.477 2.710 1.00 0.12 C ATOM 578 O ASP A 41 12.766 14.430 2.215 1.00 65.13 O ATOM 579 CB ASP A 41 10.384 14.205 0.564 1.00 12.11 C ATOM 580 CG ASP A 41 9.407 13.359 -0.228 1.00 74.11 C ATOM 581 OD1 ASP A 41 8.661 12.573 0.394 1.00 3.12 O ATOM 582 OD2 ASP A 41 9.387 13.483 -1.470 1.00 74.13 O ATOM 0 H ASP A 41 8.710 14.903 2.328 1.00 1.04 H new ATOM 0 HA ASP A 41 10.613 12.709 2.088 1.00 31.13 H new ATOM 0 HB2 ASP A 41 10.087 15.252 0.502 1.00 12.11 H new ATOM 0 HB3 ASP A 41 11.374 14.128 0.115 1.00 12.11 H new ATOM 587 N GLN A 42 11.375 15.118 3.844 1.00 75.23 N ATOM 588 CA GLN A 42 12.415 15.819 4.587 1.00 53.21 C ATOM 589 C GLN A 42 12.998 16.961 3.761 1.00 14.43 C ATOM 590 O GLN A 42 13.989 16.786 3.053 1.00 5.34 O ATOM 591 CB GLN A 42 13.525 14.848 4.991 1.00 21.12 C ATOM 592 CG GLN A 42 13.414 14.360 6.426 1.00 34.44 C ATOM 593 CD GLN A 42 11.983 14.063 6.833 1.00 44.34 C ATOM 594 OE1 GLN A 42 11.345 15.021 7.495 1.00 15.23 O flip ATOM 595 NE2 GLN A 42 11.458 12.985 6.554 1.00 3.10 N flip ATOM 0 H GLN A 42 10.448 15.166 4.268 1.00 75.23 H new ATOM 0 HA GLN A 42 11.964 16.239 5.486 1.00 53.21 H new ATOM 0 HB2 GLN A 42 13.506 13.988 4.321 1.00 21.12 H new ATOM 0 HB3 GLN A 42 14.490 15.336 4.856 1.00 21.12 H new ATOM 0 HG2 GLN A 42 14.016 13.460 6.547 1.00 34.44 H new ATOM 0 HG3 GLN A 42 13.829 15.114 7.095 1.00 34.44 H new ATOM 0 HE21 GLN A 42 11.986 12.277 6.044 1.00 3.10 H new ATOM 0 HE22 GLN A 42 10.495 12.799 6.833 1.00 3.10 H new ATOM 604 N VAL A 43 12.375 18.132 3.856 1.00 35.24 N ATOM 605 CA VAL A 43 12.832 19.303 3.119 1.00 52.41 C ATOM 606 C VAL A 43 14.326 19.531 3.320 1.00 71.31 C ATOM 607 O VAL A 43 14.775 19.849 4.422 1.00 73.41 O ATOM 608 CB VAL A 43 12.069 20.570 3.549 1.00 54.33 C ATOM 609 CG1 VAL A 43 12.151 20.758 5.056 1.00 71.01 C ATOM 610 CG2 VAL A 43 12.611 21.791 2.821 1.00 53.12 C ATOM 0 H VAL A 43 11.552 18.294 4.437 1.00 35.24 H new ATOM 0 HA VAL A 43 12.635 19.109 2.065 1.00 52.41 H new ATOM 0 HB VAL A 43 11.020 20.450 3.279 1.00 54.33 H new ATOM 0 HG11 VAL A 43 11.606 21.658 5.341 1.00 71.01 H new ATOM 0 HG12 VAL A 43 11.711 19.895 5.555 1.00 71.01 H new ATOM 0 HG13 VAL A 43 13.195 20.856 5.354 1.00 71.01 H new ATOM 0 HG21 VAL A 43 12.060 22.677 3.137 1.00 53.12 H new ATOM 0 HG22 VAL A 43 13.667 21.917 3.058 1.00 53.12 H new ATOM 0 HG23 VAL A 43 12.494 21.655 1.746 1.00 53.12 H new ATOM 620 N THR A 44 15.094 19.366 2.247 1.00 13.21 N ATOM 621 CA THR A 44 16.538 19.553 2.305 1.00 31.40 C ATOM 622 C THR A 44 16.899 21.032 2.372 1.00 1.12 C ATOM 623 O THR A 44 16.452 21.828 1.546 1.00 62.41 O ATOM 624 CB THR A 44 17.235 18.920 1.086 1.00 43.43 C ATOM 625 OG1 THR A 44 16.648 17.648 0.791 1.00 42.24 O ATOM 626 CG2 THR A 44 18.725 18.750 1.343 1.00 70.24 C ATOM 0 H THR A 44 14.739 19.103 1.327 1.00 13.21 H new ATOM 0 HA THR A 44 16.885 19.057 3.211 1.00 31.40 H new ATOM 0 HB THR A 44 17.103 19.586 0.233 1.00 43.43 H new ATOM 0 HG1 THR A 44 15.905 17.768 0.164 1.00 42.24 H new ATOM 0 HG21 THR A 44 19.196 18.301 0.469 1.00 70.24 H new ATOM 0 HG22 THR A 44 19.174 19.724 1.537 1.00 70.24 H new ATOM 0 HG23 THR A 44 18.874 18.103 2.207 1.00 70.24 H new ATOM 634 N TRP A 45 17.710 21.394 3.360 1.00 61.33 N ATOM 635 CA TRP A 45 18.132 22.779 3.534 1.00 52.15 C ATOM 636 C TRP A 45 19.607 22.947 3.187 1.00 22.44 C ATOM 637 O TRP A 45 20.435 22.104 3.534 1.00 70.32 O ATOM 638 CB TRP A 45 17.878 23.234 4.971 1.00 13.55 C ATOM 639 CG TRP A 45 18.444 22.301 5.999 1.00 52.52 C ATOM 640 CD1 TRP A 45 17.812 21.238 6.576 1.00 32.54 C ATOM 641 CD2 TRP A 45 19.755 22.351 6.571 1.00 63.30 C ATOM 642 NE1 TRP A 45 18.651 20.622 7.473 1.00 5.34 N ATOM 643 CE2 TRP A 45 19.850 21.285 7.488 1.00 50.42 C ATOM 644 CE3 TRP A 45 20.859 23.189 6.397 1.00 44.33 C ATOM 645 CZ2 TRP A 45 21.004 21.040 8.227 1.00 42.12 C ATOM 646 CZ3 TRP A 45 22.004 22.945 7.131 1.00 21.31 C ATOM 647 CH2 TRP A 45 22.070 21.877 8.036 1.00 11.12 C ATOM 0 H TRP A 45 18.088 20.748 4.053 1.00 61.33 H new ATOM 0 HA TRP A 45 17.546 23.399 2.855 1.00 52.15 H new ATOM 0 HB2 TRP A 45 18.310 24.224 5.113 1.00 13.55 H new ATOM 0 HB3 TRP A 45 16.804 23.329 5.130 1.00 13.55 H new ATOM 0 HD1 TRP A 45 16.801 20.927 6.359 1.00 32.54 H new ATOM 0 HE1 TRP A 45 18.419 19.804 8.036 1.00 5.34 H new ATOM 0 HE3 TRP A 45 20.818 24.014 5.701 1.00 44.33 H new ATOM 0 HZ2 TRP A 45 21.056 20.219 8.926 1.00 42.12 H new ATOM 0 HZ3 TRP A 45 22.862 23.588 7.005 1.00 21.31 H new ATOM 0 HH2 TRP A 45 22.980 21.711 8.594 1.00 11.12 H new ATOM 658 N ASP A 46 19.930 24.039 2.503 1.00 75.50 N ATOM 659 CA ASP A 46 21.306 24.317 2.111 1.00 24.32 C ATOM 660 C ASP A 46 21.542 25.818 1.983 1.00 40.42 C ATOM 661 O ASP A 46 20.669 26.557 1.528 1.00 13.21 O ATOM 662 CB ASP A 46 21.633 23.622 0.789 1.00 62.34 C ATOM 663 CG ASP A 46 23.114 23.656 0.467 1.00 43.01 C ATOM 664 OD1 ASP A 46 23.927 23.640 1.414 1.00 2.55 O ATOM 665 OD2 ASP A 46 23.461 23.699 -0.732 1.00 55.44 O ATOM 0 H ASP A 46 19.257 24.746 2.208 1.00 75.50 H new ATOM 0 HA ASP A 46 21.964 23.929 2.888 1.00 24.32 H new ATOM 0 HB2 ASP A 46 21.298 22.586 0.834 1.00 62.34 H new ATOM 0 HB3 ASP A 46 21.078 24.102 -0.017 1.00 62.34 H new ATOM 670 N SER A 47 22.727 26.263 2.388 1.00 45.04 N ATOM 671 CA SER A 47 23.076 27.677 2.322 1.00 3.44 C ATOM 672 C SER A 47 24.418 27.874 1.623 1.00 0.44 C ATOM 673 O SER A 47 25.300 27.019 1.696 1.00 30.23 O ATOM 674 CB SER A 47 23.128 28.277 3.729 1.00 63.10 C ATOM 675 OG SER A 47 22.371 29.472 3.802 1.00 13.23 O ATOM 0 H SER A 47 23.462 25.665 2.765 1.00 45.04 H new ATOM 0 HA SER A 47 22.307 28.189 1.744 1.00 3.44 H new ATOM 0 HB2 SER A 47 22.744 27.555 4.450 1.00 63.10 H new ATOM 0 HB3 SER A 47 24.163 28.481 4.003 1.00 63.10 H new ATOM 0 HG SER A 47 21.569 29.319 4.344 1.00 13.23 H new ATOM 681 N SER A 48 24.564 29.008 0.946 1.00 43.52 N ATOM 682 CA SER A 48 25.796 29.318 0.230 1.00 64.33 C ATOM 683 C SER A 48 26.892 29.754 1.197 1.00 23.24 C ATOM 684 O SER A 48 28.080 29.664 0.889 1.00 73.13 O ATOM 685 CB SER A 48 25.548 30.416 -0.805 1.00 54.35 C ATOM 686 OG SER A 48 25.356 29.866 -2.097 1.00 40.02 O ATOM 0 H SER A 48 23.844 29.728 0.878 1.00 43.52 H new ATOM 0 HA SER A 48 26.126 28.414 -0.282 1.00 64.33 H new ATOM 0 HB2 SER A 48 24.671 30.997 -0.520 1.00 54.35 H new ATOM 0 HB3 SER A 48 26.394 31.103 -0.821 1.00 54.35 H new ATOM 0 HG SER A 48 25.198 30.589 -2.740 1.00 40.02 H new ATOM 692 N ASN A 49 26.483 30.227 2.370 1.00 24.33 N ATOM 693 CA ASN A 49 27.430 30.678 3.384 1.00 35.13 C ATOM 694 C ASN A 49 28.184 31.917 2.912 1.00 72.04 C ATOM 695 O ASN A 49 28.436 32.087 1.718 1.00 22.12 O ATOM 696 CB ASN A 49 28.420 29.561 3.720 1.00 1.31 C ATOM 697 CG ASN A 49 29.169 29.822 5.013 1.00 34.01 C ATOM 698 OD1 ASN A 49 30.024 30.704 5.081 1.00 44.42 O ATOM 699 ND2 ASN A 49 28.849 29.053 6.047 1.00 34.32 N ATOM 0 H ASN A 49 25.503 30.308 2.642 1.00 24.33 H new ATOM 0 HA ASN A 49 26.867 30.937 4.281 1.00 35.13 H new ATOM 0 HB2 ASN A 49 27.884 28.615 3.798 1.00 1.31 H new ATOM 0 HB3 ASN A 49 29.135 29.455 2.904 1.00 1.31 H new ATOM 0 HD21 ASN A 49 29.319 29.182 6.943 1.00 34.32 H new ATOM 0 HD22 ASN A 49 28.133 28.333 5.945 1.00 34.32 H new ATOM 706 N THR A 50 28.542 32.781 3.856 1.00 4.21 N ATOM 707 CA THR A 50 29.267 34.005 3.537 1.00 21.33 C ATOM 708 C THR A 50 30.187 34.413 4.682 1.00 11.23 C ATOM 709 O THR A 50 31.410 34.391 4.547 1.00 43.05 O ATOM 710 CB THR A 50 28.302 35.165 3.230 1.00 2.40 C ATOM 711 OG1 THR A 50 27.462 34.824 2.122 1.00 63.23 O ATOM 712 CG2 THR A 50 29.071 36.440 2.916 1.00 23.22 C ATOM 0 H THR A 50 28.342 32.656 4.848 1.00 4.21 H new ATOM 0 HA THR A 50 29.866 33.796 2.650 1.00 21.33 H new ATOM 0 HB THR A 50 27.686 35.339 4.112 1.00 2.40 H new ATOM 0 HG1 THR A 50 26.730 35.472 2.055 1.00 63.23 H new ATOM 0 HG21 THR A 50 28.368 37.245 2.702 1.00 23.22 H new ATOM 0 HG22 THR A 50 29.687 36.714 3.773 1.00 23.22 H new ATOM 0 HG23 THR A 50 29.709 36.276 2.048 1.00 23.22 H new ATOM 720 N ASP A 51 29.591 34.785 5.810 1.00 52.03 N ATOM 721 CA ASP A 51 30.357 35.197 6.980 1.00 63.00 C ATOM 722 C ASP A 51 30.039 34.308 8.178 1.00 4.13 C ATOM 723 O ASP A 51 30.942 33.784 8.831 1.00 22.32 O ATOM 724 CB ASP A 51 30.062 36.658 7.321 1.00 41.52 C ATOM 725 CG ASP A 51 31.312 37.516 7.323 1.00 41.42 C ATOM 726 OD1 ASP A 51 32.077 37.452 6.338 1.00 55.53 O ATOM 727 OD2 ASP A 51 31.526 38.251 8.310 1.00 43.10 O ATOM 0 H ASP A 51 28.579 34.810 5.938 1.00 52.03 H new ATOM 0 HA ASP A 51 31.416 35.094 6.745 1.00 63.00 H new ATOM 0 HB2 ASP A 51 29.350 37.060 6.600 1.00 41.52 H new ATOM 0 HB3 ASP A 51 29.587 36.711 8.301 1.00 41.52 H new ATOM 732 N ILE A 52 28.752 34.144 8.462 1.00 53.31 N ATOM 733 CA ILE A 52 28.316 33.319 9.581 1.00 15.14 C ATOM 734 C ILE A 52 26.804 33.116 9.559 1.00 43.40 C ATOM 735 O ILE A 52 26.053 33.897 10.146 1.00 23.41 O ATOM 736 CB ILE A 52 28.719 33.942 10.931 1.00 54.42 C ATOM 737 CG1 ILE A 52 28.066 33.179 12.085 1.00 14.42 C ATOM 738 CG2 ILE A 52 28.329 35.412 10.973 1.00 52.43 C ATOM 739 CD1 ILE A 52 28.745 33.402 13.418 1.00 3.50 C ATOM 0 H ILE A 52 27.993 34.572 7.932 1.00 53.31 H new ATOM 0 HA ILE A 52 28.811 32.354 9.473 1.00 15.14 H new ATOM 0 HB ILE A 52 29.801 33.870 11.039 1.00 54.42 H new ATOM 0 HG12 ILE A 52 27.021 33.480 12.164 1.00 14.42 H new ATOM 0 HG13 ILE A 52 28.074 32.113 11.856 1.00 14.42 H new ATOM 0 HG21 ILE A 52 28.620 35.838 11.933 1.00 52.43 H new ATOM 0 HG22 ILE A 52 28.837 35.946 10.170 1.00 52.43 H new ATOM 0 HG23 ILE A 52 27.250 35.506 10.846 1.00 52.43 H new ATOM 0 HD11 ILE A 52 28.229 32.831 14.189 1.00 3.50 H new ATOM 0 HD12 ILE A 52 29.783 33.074 13.357 1.00 3.50 H new ATOM 0 HD13 ILE A 52 28.713 34.462 13.670 1.00 3.50 H new ATOM 751 N LEU A 53 26.364 32.063 8.879 1.00 3.24 N ATOM 752 CA LEU A 53 24.942 31.756 8.782 1.00 73.44 C ATOM 753 C LEU A 53 24.697 30.257 8.929 1.00 1.35 C ATOM 754 O LEU A 53 25.486 29.440 8.455 1.00 33.31 O ATOM 755 CB LEU A 53 24.385 32.245 7.444 1.00 54.22 C ATOM 756 CG LEU A 53 25.183 31.853 6.200 1.00 20.52 C ATOM 757 CD1 LEU A 53 24.373 30.912 5.321 1.00 24.01 C ATOM 758 CD2 LEU A 53 25.597 33.091 5.419 1.00 3.13 C ATOM 0 H LEU A 53 26.972 31.408 8.387 1.00 3.24 H new ATOM 0 HA LEU A 53 24.428 32.271 9.594 1.00 73.44 H new ATOM 0 HB2 LEU A 53 23.370 31.863 7.335 1.00 54.22 H new ATOM 0 HB3 LEU A 53 24.315 33.332 7.478 1.00 54.22 H new ATOM 0 HG LEU A 53 26.085 31.332 6.520 1.00 20.52 H new ATOM 0 HD11 LEU A 53 24.957 30.644 4.440 1.00 24.01 H new ATOM 0 HD12 LEU A 53 24.128 30.010 5.882 1.00 24.01 H new ATOM 0 HD13 LEU A 53 23.453 31.407 5.009 1.00 24.01 H new ATOM 0 HD21 LEU A 53 26.164 32.792 4.537 1.00 3.13 H new ATOM 0 HD22 LEU A 53 24.708 33.640 5.110 1.00 3.13 H new ATOM 0 HD23 LEU A 53 26.216 33.729 6.050 1.00 3.13 H new ATOM 770 N SER A 54 23.598 29.904 9.589 1.00 41.43 N ATOM 771 CA SER A 54 23.250 28.504 9.800 1.00 1.34 C ATOM 772 C SER A 54 21.759 28.275 9.575 1.00 14.22 C ATOM 773 O SER A 54 20.928 29.101 9.955 1.00 5.54 O ATOM 774 CB SER A 54 23.637 28.069 11.215 1.00 14.02 C ATOM 775 OG SER A 54 23.870 26.673 11.273 1.00 24.41 O ATOM 0 H SER A 54 22.934 30.568 9.986 1.00 41.43 H new ATOM 0 HA SER A 54 23.804 27.904 9.078 1.00 1.34 H new ATOM 0 HB2 SER A 54 24.533 28.604 11.531 1.00 14.02 H new ATOM 0 HB3 SER A 54 22.843 28.338 11.912 1.00 14.02 H new ATOM 0 HG SER A 54 24.117 26.420 12.187 1.00 24.41 H new ATOM 781 N ILE A 55 21.427 27.148 8.955 1.00 53.22 N ATOM 782 CA ILE A 55 20.036 26.809 8.680 1.00 40.24 C ATOM 783 C ILE A 55 19.615 25.555 9.438 1.00 3.24 C ATOM 784 O ILE A 55 20.282 24.523 9.370 1.00 23.10 O ATOM 785 CB ILE A 55 19.798 26.589 7.174 1.00 35.11 C ATOM 786 CG1 ILE A 55 20.443 27.715 6.363 1.00 31.52 C ATOM 787 CG2 ILE A 55 18.307 26.505 6.881 1.00 61.23 C ATOM 788 CD1 ILE A 55 19.899 29.086 6.694 1.00 12.54 C ATOM 0 H ILE A 55 22.102 26.454 8.634 1.00 53.22 H new ATOM 0 HA ILE A 55 19.433 27.653 9.016 1.00 40.24 H new ATOM 0 HB ILE A 55 20.260 25.646 6.882 1.00 35.11 H new ATOM 0 HG12 ILE A 55 21.519 27.708 6.538 1.00 31.52 H new ATOM 0 HG13 ILE A 55 20.292 27.520 5.301 1.00 31.52 H new ATOM 0 HG21 ILE A 55 18.154 26.349 5.813 1.00 61.23 H new ATOM 0 HG22 ILE A 55 17.874 25.672 7.435 1.00 61.23 H new ATOM 0 HG23 ILE A 55 17.824 27.433 7.185 1.00 61.23 H new ATOM 0 HD11 ILE A 55 20.402 29.835 6.082 1.00 12.54 H new ATOM 0 HD12 ILE A 55 18.828 29.111 6.492 1.00 12.54 H new ATOM 0 HD13 ILE A 55 20.074 29.302 7.748 1.00 12.54 H new ATOM 800 N SER A 56 18.503 25.652 10.160 1.00 4.03 N ATOM 801 CA SER A 56 17.994 24.526 10.934 1.00 71.10 C ATOM 802 C SER A 56 16.558 24.198 10.535 1.00 2.24 C ATOM 803 O SER A 56 15.682 25.062 10.563 1.00 24.20 O ATOM 804 CB SER A 56 18.062 24.836 12.431 1.00 74.14 C ATOM 805 OG SER A 56 19.392 25.112 12.835 1.00 55.14 O ATOM 0 H SER A 56 17.938 26.499 10.225 1.00 4.03 H new ATOM 0 HA SER A 56 18.619 23.659 10.722 1.00 71.10 H new ATOM 0 HB2 SER A 56 17.425 25.691 12.658 1.00 74.14 H new ATOM 0 HB3 SER A 56 17.674 23.990 12.999 1.00 74.14 H new ATOM 0 HG SER A 56 19.408 25.309 13.795 1.00 55.14 H new ATOM 811 N ASN A 57 16.325 22.943 10.165 1.00 44.33 N ATOM 812 CA ASN A 57 14.996 22.500 9.759 1.00 4.04 C ATOM 813 C ASN A 57 14.727 21.078 10.241 1.00 32.24 C ATOM 814 O ASN A 57 13.633 20.768 10.712 1.00 11.02 O ATOM 815 CB ASN A 57 14.855 22.570 8.238 1.00 54.24 C ATOM 816 CG ASN A 57 13.735 21.688 7.720 1.00 62.21 C ATOM 817 OD1 ASN A 57 12.598 22.134 7.569 1.00 34.53 O ATOM 818 ND2 ASN A 57 14.054 20.428 7.445 1.00 11.31 N ATOM 0 H ASN A 57 17.039 22.215 10.138 1.00 44.33 H new ATOM 0 HA ASN A 57 14.263 23.165 10.216 1.00 4.04 H new ATOM 0 HB2 ASN A 57 14.669 23.602 7.940 1.00 54.24 H new ATOM 0 HB3 ASN A 57 15.795 22.269 7.774 1.00 54.24 H new ATOM 0 HD21 ASN A 57 13.343 19.787 7.093 1.00 11.31 H new ATOM 0 HD22 ASN A 57 15.010 20.102 7.586 1.00 11.31 H new ATOM 825 N ALA A 58 15.732 20.217 10.121 1.00 44.44 N ATOM 826 CA ALA A 58 15.605 18.829 10.546 1.00 2.12 C ATOM 827 C ALA A 58 15.654 18.714 12.066 1.00 53.10 C ATOM 828 O ALA A 58 15.465 17.632 12.622 1.00 0.45 O ATOM 829 CB ALA A 58 16.700 17.981 9.916 1.00 41.34 C ATOM 0 H ALA A 58 16.644 20.457 9.732 1.00 44.44 H new ATOM 0 HA ALA A 58 14.636 18.460 10.210 1.00 2.12 H new ATOM 0 HB1 ALA A 58 16.592 16.947 10.243 1.00 41.34 H new ATOM 0 HB2 ALA A 58 16.618 18.029 8.830 1.00 41.34 H new ATOM 0 HB3 ALA A 58 17.675 18.359 10.223 1.00 41.34 H new ATOM 835 N SER A 59 15.909 19.836 12.732 1.00 75.21 N ATOM 836 CA SER A 59 15.986 19.860 14.188 1.00 64.42 C ATOM 837 C SER A 59 14.718 19.283 14.809 1.00 13.31 C ATOM 838 O SER A 59 14.728 18.817 15.948 1.00 31.24 O ATOM 839 CB SER A 59 16.207 21.290 14.685 1.00 70.34 C ATOM 840 OG SER A 59 17.417 21.395 15.415 1.00 72.01 O ATOM 0 H SER A 59 16.066 20.740 12.286 1.00 75.21 H new ATOM 0 HA SER A 59 16.831 19.243 14.493 1.00 64.42 H new ATOM 0 HB2 SER A 59 16.230 21.974 13.836 1.00 70.34 H new ATOM 0 HB3 SER A 59 15.371 21.593 15.315 1.00 70.34 H new ATOM 0 HG SER A 59 17.536 22.319 15.720 1.00 72.01 H new ATOM 846 N ASP A 60 13.627 19.320 14.052 1.00 32.50 N ATOM 847 CA ASP A 60 12.349 18.800 14.526 1.00 3.44 C ATOM 848 C ASP A 60 11.411 18.515 13.358 1.00 50.01 C ATOM 849 O ASP A 60 10.837 17.430 13.260 1.00 1.53 O ATOM 850 CB ASP A 60 11.697 19.793 15.490 1.00 50.33 C ATOM 851 CG ASP A 60 11.785 19.342 16.934 1.00 32.52 C ATOM 852 OD1 ASP A 60 11.579 18.137 17.192 1.00 2.32 O ATOM 853 OD2 ASP A 60 12.058 20.192 17.807 1.00 42.32 O ATOM 0 H ASP A 60 13.602 19.705 13.108 1.00 32.50 H new ATOM 0 HA ASP A 60 12.538 17.864 15.053 1.00 3.44 H new ATOM 0 HB2 ASP A 60 12.179 20.765 15.386 1.00 50.33 H new ATOM 0 HB3 ASP A 60 10.650 19.925 15.217 1.00 50.33 H new ATOM 858 N SER A 61 11.259 19.496 12.474 1.00 2.22 N ATOM 859 CA SER A 61 10.387 19.352 11.315 1.00 53.53 C ATOM 860 C SER A 61 10.306 20.659 10.530 1.00 20.43 C ATOM 861 O SER A 61 10.833 20.765 9.423 1.00 64.45 O ATOM 862 CB SER A 61 8.986 18.921 11.754 1.00 22.02 C ATOM 863 OG SER A 61 8.708 19.360 13.073 1.00 73.35 O ATOM 0 H SER A 61 11.729 20.399 12.539 1.00 2.22 H new ATOM 0 HA SER A 61 10.810 18.584 10.667 1.00 53.53 H new ATOM 0 HB2 SER A 61 8.244 19.329 11.067 1.00 22.02 H new ATOM 0 HB3 SER A 61 8.903 17.835 11.704 1.00 22.02 H new ATOM 0 HG SER A 61 7.807 19.074 13.330 1.00 73.35 H new ATOM 869 N HIS A 62 9.642 21.651 11.113 1.00 14.51 N ATOM 870 CA HIS A 62 9.491 22.952 10.470 1.00 64.01 C ATOM 871 C HIS A 62 10.843 23.491 10.012 1.00 62.23 C ATOM 872 O HIS A 62 11.876 23.197 10.613 1.00 53.13 O ATOM 873 CB HIS A 62 8.831 23.945 11.427 1.00 24.22 C ATOM 874 CG HIS A 62 9.383 23.892 12.819 1.00 41.33 C ATOM 875 ND1 HIS A 62 10.684 23.530 13.099 1.00 13.34 N ATOM 876 CD2 HIS A 62 8.803 24.160 14.012 1.00 51.32 C ATOM 877 CE1 HIS A 62 10.879 23.576 14.405 1.00 1.31 C ATOM 878 NE2 HIS A 62 9.753 23.956 14.982 1.00 43.32 N ATOM 0 H HIS A 62 9.200 21.580 12.029 1.00 14.51 H new ATOM 0 HA HIS A 62 8.854 22.825 9.595 1.00 64.01 H new ATOM 0 HB2 HIS A 62 8.956 24.954 11.034 1.00 24.22 H new ATOM 0 HB3 HIS A 62 7.760 23.746 11.462 1.00 24.22 H new ATOM 0 HD1 HIS A 62 11.386 23.268 12.407 1.00 13.34 H new ATOM 0 HD2 HIS A 62 7.783 24.476 14.171 1.00 51.32 H new ATOM 0 HE1 HIS A 62 11.802 23.343 14.914 1.00 1.31 H new ATOM 886 N GLY A 63 10.829 24.281 8.942 1.00 34.13 N ATOM 887 CA GLY A 63 12.059 24.847 8.421 1.00 1.14 C ATOM 888 C GLY A 63 12.386 26.192 9.039 1.00 15.23 C ATOM 889 O GLY A 63 11.493 27.005 9.283 1.00 53.24 O ATOM 0 H GLY A 63 9.987 24.539 8.427 1.00 34.13 H new ATOM 0 HA2 GLY A 63 12.881 24.156 8.607 1.00 1.14 H new ATOM 0 HA3 GLY A 63 11.975 24.958 7.340 1.00 1.14 H new ATOM 893 N LEU A 64 13.667 26.428 9.296 1.00 44.13 N ATOM 894 CA LEU A 64 14.110 27.684 9.891 1.00 0.11 C ATOM 895 C LEU A 64 15.504 28.060 9.397 1.00 34.55 C ATOM 896 O LEU A 64 16.357 27.195 9.201 1.00 1.03 O ATOM 897 CB LEU A 64 14.109 27.576 11.417 1.00 10.30 C ATOM 898 CG LEU A 64 12.811 27.078 12.054 1.00 40.42 C ATOM 899 CD1 LEU A 64 12.759 25.559 12.041 1.00 73.45 C ATOM 900 CD2 LEU A 64 12.677 27.606 13.475 1.00 44.12 C ATOM 0 H LEU A 64 14.418 25.766 9.102 1.00 44.13 H new ATOM 0 HA LEU A 64 13.414 28.466 9.587 1.00 0.11 H new ATOM 0 HB2 LEU A 64 14.916 26.907 11.714 1.00 10.30 H new ATOM 0 HB3 LEU A 64 14.340 28.558 11.831 1.00 10.30 H new ATOM 0 HG LEU A 64 11.973 27.455 11.467 1.00 40.42 H new ATOM 0 HD11 LEU A 64 11.828 25.223 12.498 1.00 73.45 H new ATOM 0 HD12 LEU A 64 12.807 25.202 11.012 1.00 73.45 H new ATOM 0 HD13 LEU A 64 13.604 25.161 12.603 1.00 73.45 H new ATOM 0 HD21 LEU A 64 11.748 27.241 13.912 1.00 44.12 H new ATOM 0 HD22 LEU A 64 13.520 27.259 14.073 1.00 44.12 H new ATOM 0 HD23 LEU A 64 12.667 28.696 13.459 1.00 44.12 H new ATOM 912 N ALA A 65 15.727 29.355 9.201 1.00 60.23 N ATOM 913 CA ALA A 65 17.018 29.845 8.734 1.00 1.04 C ATOM 914 C ALA A 65 17.466 31.061 9.538 1.00 24.00 C ATOM 915 O ALA A 65 16.759 32.066 9.608 1.00 41.14 O ATOM 916 CB ALA A 65 16.950 30.185 7.253 1.00 73.01 C ATOM 0 H ALA A 65 15.031 30.084 9.358 1.00 60.23 H new ATOM 0 HA ALA A 65 17.754 29.054 8.880 1.00 1.04 H new ATOM 0 HB1 ALA A 65 17.921 30.550 6.918 1.00 73.01 H new ATOM 0 HB2 ALA A 65 16.683 29.293 6.687 1.00 73.01 H new ATOM 0 HB3 ALA A 65 16.197 30.957 7.091 1.00 73.01 H new ATOM 922 N SER A 66 18.645 30.962 10.144 1.00 2.21 N ATOM 923 CA SER A 66 19.186 32.053 10.947 1.00 33.11 C ATOM 924 C SER A 66 20.516 32.538 10.379 1.00 23.34 C ATOM 925 O SER A 66 21.308 31.750 9.861 1.00 63.10 O ATOM 926 CB SER A 66 19.371 31.603 12.398 1.00 55.33 C ATOM 927 OG SER A 66 19.848 32.666 13.204 1.00 1.31 O ATOM 0 H SER A 66 19.244 30.138 10.094 1.00 2.21 H new ATOM 0 HA SER A 66 18.476 32.880 10.918 1.00 33.11 H new ATOM 0 HB2 SER A 66 18.422 31.240 12.793 1.00 55.33 H new ATOM 0 HB3 SER A 66 20.072 30.770 12.437 1.00 55.33 H new ATOM 0 HG SER A 66 19.956 32.354 14.127 1.00 1.31 H new ATOM 933 N THR A 67 20.756 33.841 10.481 1.00 1.41 N ATOM 934 CA THR A 67 21.989 34.433 9.978 1.00 41.23 C ATOM 935 C THR A 67 22.590 35.398 10.993 1.00 3.30 C ATOM 936 O THR A 67 21.889 35.917 11.863 1.00 61.11 O ATOM 937 CB THR A 67 21.753 35.182 8.652 1.00 34.14 C ATOM 938 OG1 THR A 67 20.894 36.307 8.872 1.00 61.23 O ATOM 939 CG2 THR A 67 21.133 34.260 7.613 1.00 22.20 C ATOM 0 H THR A 67 20.112 34.507 10.908 1.00 1.41 H new ATOM 0 HA THR A 67 22.685 33.612 9.805 1.00 41.23 H new ATOM 0 HB THR A 67 22.717 35.528 8.279 1.00 34.14 H new ATOM 0 HG1 THR A 67 20.621 36.684 8.009 1.00 61.23 H new ATOM 0 HG21 THR A 67 20.976 34.811 6.686 1.00 22.20 H new ATOM 0 HG22 THR A 67 21.802 33.420 7.427 1.00 22.20 H new ATOM 0 HG23 THR A 67 20.177 33.888 7.981 1.00 22.20 H new ATOM 947 N LEU A 68 23.892 35.636 10.877 1.00 1.11 N ATOM 948 CA LEU A 68 24.588 36.541 11.785 1.00 24.34 C ATOM 949 C LEU A 68 25.648 37.349 11.043 1.00 21.40 C ATOM 950 O LEU A 68 26.679 37.707 11.610 1.00 43.11 O ATOM 951 CB LEU A 68 25.237 35.752 12.924 1.00 21.03 C ATOM 952 CG LEU A 68 24.336 34.748 13.644 1.00 12.20 C ATOM 953 CD1 LEU A 68 24.382 33.396 12.950 1.00 73.13 C ATOM 954 CD2 LEU A 68 24.745 34.615 15.104 1.00 63.45 C ATOM 0 H LEU A 68 24.487 35.215 10.163 1.00 1.11 H new ATOM 0 HA LEU A 68 23.856 37.233 12.201 1.00 24.34 H new ATOM 0 HB2 LEU A 68 26.097 35.216 12.523 1.00 21.03 H new ATOM 0 HB3 LEU A 68 25.617 36.461 13.659 1.00 21.03 H new ATOM 0 HG LEU A 68 23.311 35.117 13.607 1.00 12.20 H new ATOM 0 HD11 LEU A 68 23.735 32.695 13.476 1.00 73.13 H new ATOM 0 HD12 LEU A 68 24.039 33.503 11.921 1.00 73.13 H new ATOM 0 HD13 LEU A 68 25.405 33.019 12.954 1.00 73.13 H new ATOM 0 HD21 LEU A 68 24.093 33.896 15.601 1.00 63.45 H new ATOM 0 HD22 LEU A 68 25.777 34.269 15.163 1.00 63.45 H new ATOM 0 HD23 LEU A 68 24.658 35.584 15.596 1.00 63.45 H new ATOM 966 N ASN A 69 25.385 37.633 9.772 1.00 51.23 N ATOM 967 CA ASN A 69 26.315 38.401 8.952 1.00 64.42 C ATOM 968 C ASN A 69 25.586 39.500 8.186 1.00 42.21 C ATOM 969 O ASN A 69 24.357 39.532 8.148 1.00 54.04 O ATOM 970 CB ASN A 69 27.044 37.479 7.972 1.00 24.42 C ATOM 971 CG ASN A 69 26.121 36.924 6.904 1.00 5.12 C ATOM 972 OD1 ASN A 69 25.208 36.049 7.308 1.00 31.32 O flip ATOM 973 ND2 ASN A 69 26.229 37.279 5.730 1.00 12.22 N flip ATOM 0 H ASN A 69 24.536 37.343 9.287 1.00 51.23 H new ATOM 0 HA ASN A 69 27.045 38.867 9.614 1.00 64.42 H new ATOM 0 HB2 ASN A 69 27.856 38.028 7.496 1.00 24.42 H new ATOM 0 HB3 ASN A 69 27.496 36.654 8.522 1.00 24.42 H new ATOM 0 HD21 ASN A 69 26.946 37.954 5.465 1.00 12.22 H new ATOM 0 HD22 ASN A 69 25.601 36.898 5.022 1.00 12.22 H new ATOM 980 N GLN A 70 26.354 40.399 7.577 1.00 34.25 N ATOM 981 CA GLN A 70 25.780 41.500 6.813 1.00 63.13 C ATOM 982 C GLN A 70 26.131 41.376 5.334 1.00 71.04 C ATOM 983 O GLN A 70 26.763 42.261 4.759 1.00 41.11 O ATOM 984 CB GLN A 70 26.278 42.840 7.356 1.00 2.15 C ATOM 985 CG GLN A 70 25.818 43.129 8.776 1.00 11.41 C ATOM 986 CD GLN A 70 26.967 43.473 9.703 1.00 12.25 C ATOM 987 OE1 GLN A 70 27.135 44.626 10.101 1.00 1.33 O ATOM 988 NE2 GLN A 70 27.765 42.472 10.054 1.00 64.44 N ATOM 0 H GLN A 70 27.374 40.386 7.598 1.00 34.25 H new ATOM 0 HA GLN A 70 24.696 41.455 6.916 1.00 63.13 H new ATOM 0 HB2 GLN A 70 27.368 42.853 7.326 1.00 2.15 H new ATOM 0 HB3 GLN A 70 25.932 43.639 6.701 1.00 2.15 H new ATOM 0 HG2 GLN A 70 25.107 43.955 8.763 1.00 11.41 H new ATOM 0 HG3 GLN A 70 25.289 42.260 9.166 1.00 11.41 H new ATOM 0 HE21 GLN A 70 27.589 41.531 9.701 1.00 64.44 H new ATOM 0 HE22 GLN A 70 28.554 42.643 10.677 1.00 64.44 H new ATOM 997 N GLY A 71 25.716 40.270 4.722 1.00 11.35 N ATOM 998 CA GLY A 71 25.996 40.051 3.316 1.00 60.34 C ATOM 999 C GLY A 71 24.823 39.435 2.580 1.00 34.41 C ATOM 1000 O GLY A 71 23.669 39.762 2.854 1.00 32.54 O ATOM 0 H GLY A 71 25.191 39.522 5.176 1.00 11.35 H new ATOM 0 HA2 GLY A 71 26.256 41.001 2.848 1.00 60.34 H new ATOM 0 HA3 GLY A 71 26.864 39.399 3.219 1.00 60.34 H new ATOM 1004 N ASN A 72 25.118 38.541 1.641 1.00 14.14 N ATOM 1005 CA ASN A 72 24.078 37.879 0.862 1.00 14.31 C ATOM 1006 C ASN A 72 24.139 36.366 1.047 1.00 42.12 C ATOM 1007 O ASN A 72 25.193 35.752 0.881 1.00 3.01 O ATOM 1008 CB ASN A 72 24.221 38.230 -0.620 1.00 61.33 C ATOM 1009 CG ASN A 72 25.493 39.002 -0.911 1.00 41.52 C ATOM 1010 OD1 ASN A 72 26.598 38.514 -0.673 1.00 73.32 O ATOM 1011 ND2 ASN A 72 25.343 40.216 -1.429 1.00 14.24 N ATOM 0 H ASN A 72 26.068 38.259 1.401 1.00 14.14 H new ATOM 0 HA ASN A 72 23.111 38.231 1.220 1.00 14.31 H new ATOM 0 HB2 ASN A 72 24.212 37.314 -1.210 1.00 61.33 H new ATOM 0 HB3 ASN A 72 23.361 38.820 -0.935 1.00 61.33 H new ATOM 0 HD21 ASN A 72 26.163 40.783 -1.646 1.00 14.24 H new ATOM 0 HD22 ASN A 72 24.408 40.581 -1.610 1.00 14.24 H new ATOM 1018 N VAL A 73 23.002 35.770 1.390 1.00 13.55 N ATOM 1019 CA VAL A 73 22.925 34.329 1.596 1.00 2.00 C ATOM 1020 C VAL A 73 22.038 33.671 0.546 1.00 74.51 C ATOM 1021 O VAL A 73 20.979 34.192 0.196 1.00 50.54 O ATOM 1022 CB VAL A 73 22.382 33.990 2.997 1.00 63.10 C ATOM 1023 CG1 VAL A 73 22.497 32.498 3.268 1.00 64.54 C ATOM 1024 CG2 VAL A 73 23.117 34.791 4.061 1.00 40.30 C ATOM 0 H VAL A 73 22.121 36.263 1.531 1.00 13.55 H new ATOM 0 HA VAL A 73 23.940 33.942 1.505 1.00 2.00 H new ATOM 0 HB VAL A 73 21.327 34.261 3.034 1.00 63.10 H new ATOM 0 HG11 VAL A 73 22.109 32.278 4.262 1.00 64.54 H new ATOM 0 HG12 VAL A 73 21.922 31.948 2.524 1.00 64.54 H new ATOM 0 HG13 VAL A 73 23.543 32.198 3.213 1.00 64.54 H new ATOM 0 HG21 VAL A 73 22.721 34.539 5.045 1.00 40.30 H new ATOM 0 HG22 VAL A 73 24.180 34.553 4.026 1.00 40.30 H new ATOM 0 HG23 VAL A 73 22.978 35.856 3.876 1.00 40.30 H new ATOM 1034 N LYS A 74 22.476 32.520 0.046 1.00 34.25 N ATOM 1035 CA LYS A 74 21.721 31.787 -0.963 1.00 60.31 C ATOM 1036 C LYS A 74 21.040 30.566 -0.353 1.00 60.43 C ATOM 1037 O LYS A 74 21.694 29.572 -0.036 1.00 75.30 O ATOM 1038 CB LYS A 74 22.644 31.353 -2.104 1.00 21.41 C ATOM 1039 CG LYS A 74 21.915 31.089 -3.410 1.00 14.31 C ATOM 1040 CD LYS A 74 21.266 32.353 -3.951 1.00 23.50 C ATOM 1041 CE LYS A 74 20.967 32.233 -5.438 1.00 25.25 C ATOM 1042 NZ LYS A 74 22.013 32.893 -6.268 1.00 75.53 N ATOM 0 H LYS A 74 23.351 32.075 0.324 1.00 34.25 H new ATOM 0 HA LYS A 74 20.951 32.450 -1.358 1.00 60.31 H new ATOM 0 HB2 LYS A 74 23.395 32.126 -2.267 1.00 21.41 H new ATOM 0 HB3 LYS A 74 23.176 30.450 -1.806 1.00 21.41 H new ATOM 0 HG2 LYS A 74 22.616 30.695 -4.146 1.00 14.31 H new ATOM 0 HG3 LYS A 74 21.153 30.325 -3.255 1.00 14.31 H new ATOM 0 HD2 LYS A 74 20.342 32.550 -3.408 1.00 23.50 H new ATOM 0 HD3 LYS A 74 21.925 33.204 -3.779 1.00 23.50 H new ATOM 0 HE2 LYS A 74 20.897 31.180 -5.711 1.00 25.25 H new ATOM 0 HE3 LYS A 74 19.997 32.682 -5.651 1.00 25.25 H new ATOM 0 HZ1 LYS A 74 21.774 32.790 -7.275 1.00 75.53 H new ATOM 0 HZ2 LYS A 74 22.062 33.903 -6.026 1.00 75.53 H new ATOM 0 HZ3 LYS A 74 22.935 32.448 -6.084 1.00 75.53 H new ATOM 1056 N VAL A 75 19.723 30.646 -0.193 1.00 51.42 N ATOM 1057 CA VAL A 75 18.953 29.547 0.376 1.00 61.20 C ATOM 1058 C VAL A 75 18.362 28.665 -0.719 1.00 11.45 C ATOM 1059 O VAL A 75 17.559 29.122 -1.534 1.00 24.24 O ATOM 1060 CB VAL A 75 17.814 30.065 1.274 1.00 71.11 C ATOM 1061 CG1 VAL A 75 16.997 28.905 1.822 1.00 13.35 C ATOM 1062 CG2 VAL A 75 18.372 30.916 2.404 1.00 2.22 C ATOM 0 H VAL A 75 19.167 31.461 -0.450 1.00 51.42 H new ATOM 0 HA VAL A 75 19.642 28.958 0.981 1.00 61.20 H new ATOM 0 HB VAL A 75 17.155 30.690 0.671 1.00 71.11 H new ATOM 0 HG11 VAL A 75 16.197 29.290 2.454 1.00 13.35 H new ATOM 0 HG12 VAL A 75 16.566 28.341 0.995 1.00 13.35 H new ATOM 0 HG13 VAL A 75 17.642 28.252 2.410 1.00 13.35 H new ATOM 0 HG21 VAL A 75 17.553 31.274 3.029 1.00 2.22 H new ATOM 0 HG22 VAL A 75 19.054 30.317 3.008 1.00 2.22 H new ATOM 0 HG23 VAL A 75 18.909 31.768 1.987 1.00 2.22 H new ATOM 1072 N THR A 76 18.763 27.398 -0.732 1.00 4.14 N ATOM 1073 CA THR A 76 18.274 26.452 -1.726 1.00 63.32 C ATOM 1074 C THR A 76 17.840 25.144 -1.074 1.00 53.20 C ATOM 1075 O THR A 76 18.563 24.577 -0.256 1.00 43.10 O ATOM 1076 CB THR A 76 19.347 26.150 -2.790 1.00 20.13 C ATOM 1077 OG1 THR A 76 19.951 27.369 -3.236 1.00 51.11 O ATOM 1078 CG2 THR A 76 18.741 25.414 -3.975 1.00 45.14 C ATOM 0 H THR A 76 19.426 27.003 -0.065 1.00 4.14 H new ATOM 0 HA THR A 76 17.414 26.917 -2.209 1.00 63.32 H new ATOM 0 HB THR A 76 20.107 25.513 -2.338 1.00 20.13 H new ATOM 0 HG1 THR A 76 20.633 27.168 -3.911 1.00 51.11 H new ATOM 0 HG21 THR A 76 19.517 25.212 -4.713 1.00 45.14 H new ATOM 0 HG22 THR A 76 18.308 24.473 -3.636 1.00 45.14 H new ATOM 0 HG23 THR A 76 17.963 26.029 -4.426 1.00 45.14 H new ATOM 1086 N ALA A 77 16.654 24.670 -1.442 1.00 13.51 N ATOM 1087 CA ALA A 77 16.124 23.428 -0.894 1.00 62.22 C ATOM 1088 C ALA A 77 15.745 22.455 -2.006 1.00 50.51 C ATOM 1089 O ALA A 77 15.377 22.868 -3.106 1.00 10.22 O ATOM 1090 CB ALA A 77 14.922 23.712 -0.006 1.00 53.45 C ATOM 0 H ALA A 77 16.042 25.128 -2.118 1.00 13.51 H new ATOM 0 HA ALA A 77 16.905 22.964 -0.291 1.00 62.22 H new ATOM 0 HB1 ALA A 77 14.537 22.775 0.396 1.00 53.45 H new ATOM 0 HB2 ALA A 77 15.222 24.363 0.815 1.00 53.45 H new ATOM 0 HB3 ALA A 77 14.144 24.202 -0.592 1.00 53.45 H new ATOM 1096 N SER A 78 15.838 21.162 -1.712 1.00 51.53 N ATOM 1097 CA SER A 78 15.509 20.131 -2.689 1.00 52.12 C ATOM 1098 C SER A 78 14.659 19.034 -2.056 1.00 15.24 C ATOM 1099 O SER A 78 14.930 18.590 -0.940 1.00 2.03 O ATOM 1100 CB SER A 78 16.787 19.527 -3.275 1.00 54.30 C ATOM 1101 OG SER A 78 16.965 19.922 -4.624 1.00 43.12 O ATOM 0 H SER A 78 16.138 20.804 -0.805 1.00 51.53 H new ATOM 0 HA SER A 78 14.934 20.595 -3.490 1.00 52.12 H new ATOM 0 HB2 SER A 78 17.647 19.843 -2.684 1.00 54.30 H new ATOM 0 HB3 SER A 78 16.740 18.440 -3.214 1.00 54.30 H new ATOM 0 HG SER A 78 17.789 19.524 -4.975 1.00 43.12 H new ATOM 1107 N ILE A 79 13.629 18.602 -2.776 1.00 13.43 N ATOM 1108 CA ILE A 79 12.739 17.557 -2.285 1.00 41.22 C ATOM 1109 C ILE A 79 12.369 16.583 -3.399 1.00 10.24 C ATOM 1110 O ILE A 79 12.168 16.982 -4.545 1.00 60.31 O ATOM 1111 CB ILE A 79 11.449 18.150 -1.688 1.00 4.24 C ATOM 1112 CG1 ILE A 79 11.636 18.432 -0.195 1.00 53.44 C ATOM 1113 CG2 ILE A 79 10.279 17.205 -1.911 1.00 74.14 C ATOM 1114 CD1 ILE A 79 11.800 17.182 0.640 1.00 4.10 C ATOM 0 H ILE A 79 13.390 18.959 -3.701 1.00 13.43 H new ATOM 0 HA ILE A 79 13.280 17.024 -1.503 1.00 41.22 H new ATOM 0 HB ILE A 79 11.231 19.091 -2.193 1.00 4.24 H new ATOM 0 HG12 ILE A 79 12.512 19.067 -0.060 1.00 53.44 H new ATOM 0 HG13 ILE A 79 10.776 18.993 0.171 1.00 53.44 H new ATOM 0 HG21 ILE A 79 9.375 17.638 -1.483 1.00 74.14 H new ATOM 0 HG22 ILE A 79 10.136 17.049 -2.980 1.00 74.14 H new ATOM 0 HG23 ILE A 79 10.486 16.249 -1.429 1.00 74.14 H new ATOM 0 HD11 ILE A 79 11.928 17.458 1.687 1.00 4.10 H new ATOM 0 HD12 ILE A 79 10.914 16.556 0.535 1.00 4.10 H new ATOM 0 HD13 ILE A 79 12.677 16.630 0.301 1.00 4.10 H new ATOM 1126 N GLY A 80 12.279 15.303 -3.052 1.00 31.32 N ATOM 1127 CA GLY A 80 11.931 14.291 -4.033 1.00 1.23 C ATOM 1128 C GLY A 80 10.869 14.766 -5.004 1.00 50.51 C ATOM 1129 O GLY A 80 11.027 14.640 -6.218 1.00 14.44 O ATOM 0 H GLY A 80 12.441 14.948 -2.109 1.00 31.32 H new ATOM 0 HA2 GLY A 80 12.824 14.005 -4.588 1.00 1.23 H new ATOM 0 HA3 GLY A 80 11.576 13.398 -3.519 1.00 1.23 H new ATOM 1133 N GLY A 81 9.782 15.314 -4.469 1.00 33.41 N ATOM 1134 CA GLY A 81 8.704 15.799 -5.311 1.00 43.31 C ATOM 1135 C GLY A 81 9.131 16.963 -6.185 1.00 35.54 C ATOM 1136 O GLY A 81 9.131 16.858 -7.412 1.00 14.44 O ATOM 0 H GLY A 81 9.629 15.431 -3.467 1.00 33.41 H new ATOM 0 HA2 GLY A 81 8.346 14.986 -5.943 1.00 43.31 H new ATOM 0 HA3 GLY A 81 7.867 16.107 -4.684 1.00 43.31 H new ATOM 1140 N ILE A 82 9.493 18.073 -5.552 1.00 51.52 N ATOM 1141 CA ILE A 82 9.922 19.261 -6.280 1.00 64.13 C ATOM 1142 C ILE A 82 10.992 20.023 -5.506 1.00 43.43 C ATOM 1143 O ILE A 82 11.066 19.936 -4.281 1.00 15.31 O ATOM 1144 CB ILE A 82 8.740 20.205 -6.565 1.00 15.31 C ATOM 1145 CG1 ILE A 82 7.509 19.402 -6.991 1.00 53.41 C ATOM 1146 CG2 ILE A 82 9.116 21.217 -7.637 1.00 12.33 C ATOM 1147 CD1 ILE A 82 6.268 20.249 -7.173 1.00 45.04 C ATOM 0 H ILE A 82 9.498 18.175 -4.537 1.00 51.52 H new ATOM 0 HA ILE A 82 10.337 18.917 -7.227 1.00 64.13 H new ATOM 0 HB ILE A 82 8.499 20.747 -5.651 1.00 15.31 H new ATOM 0 HG12 ILE A 82 7.727 18.886 -7.926 1.00 53.41 H new ATOM 0 HG13 ILE A 82 7.309 18.635 -6.243 1.00 53.41 H new ATOM 0 HG21 ILE A 82 8.270 21.877 -7.827 1.00 12.33 H new ATOM 0 HG22 ILE A 82 9.967 21.807 -7.298 1.00 12.33 H new ATOM 0 HG23 ILE A 82 9.381 20.693 -8.555 1.00 12.33 H new ATOM 0 HD11 ILE A 82 5.435 19.614 -7.475 1.00 45.04 H new ATOM 0 HD12 ILE A 82 6.024 20.744 -6.233 1.00 45.04 H new ATOM 0 HD13 ILE A 82 6.449 21.000 -7.942 1.00 45.04 H new ATOM 1159 N GLN A 83 11.819 20.771 -6.230 1.00 54.43 N ATOM 1160 CA GLN A 83 12.884 21.550 -5.611 1.00 2.42 C ATOM 1161 C GLN A 83 12.807 23.013 -6.036 1.00 12.12 C ATOM 1162 O GLN A 83 12.159 23.349 -7.027 1.00 23.44 O ATOM 1163 CB GLN A 83 14.250 20.971 -5.982 1.00 23.23 C ATOM 1164 CG GLN A 83 14.670 21.269 -7.412 1.00 52.20 C ATOM 1165 CD GLN A 83 16.036 20.704 -7.749 1.00 54.55 C ATOM 1166 OE1 GLN A 83 16.989 21.450 -7.979 1.00 73.51 O ATOM 1167 NE2 GLN A 83 16.138 19.381 -7.781 1.00 71.11 N ATOM 0 H GLN A 83 11.772 20.854 -7.246 1.00 54.43 H new ATOM 0 HA GLN A 83 12.756 21.497 -4.530 1.00 2.42 H new ATOM 0 HB2 GLN A 83 15.002 21.370 -5.301 1.00 23.23 H new ATOM 0 HB3 GLN A 83 14.229 19.891 -5.836 1.00 23.23 H new ATOM 0 HG2 GLN A 83 13.931 20.855 -8.098 1.00 52.20 H new ATOM 0 HG3 GLN A 83 14.679 22.348 -7.567 1.00 52.20 H new ATOM 0 HE21 GLN A 83 15.322 18.802 -7.584 1.00 71.11 H new ATOM 0 HE22 GLN A 83 17.032 18.944 -8.003 1.00 71.11 H new ATOM 1176 N GLY A 84 13.472 23.880 -5.279 1.00 0.43 N ATOM 1177 CA GLY A 84 13.465 25.297 -5.593 1.00 1.21 C ATOM 1178 C GLY A 84 14.591 26.048 -4.910 1.00 12.12 C ATOM 1179 O GLY A 84 15.364 25.465 -4.150 1.00 60.42 O ATOM 0 H GLY A 84 14.015 23.627 -4.454 1.00 0.43 H new ATOM 0 HA2 GLY A 84 13.548 25.427 -6.672 1.00 1.21 H new ATOM 0 HA3 GLY A 84 12.510 25.728 -5.292 1.00 1.21 H new ATOM 1183 N SER A 85 14.685 27.346 -5.181 1.00 74.11 N ATOM 1184 CA SER A 85 15.728 28.177 -4.591 1.00 73.22 C ATOM 1185 C SER A 85 15.197 29.571 -4.273 1.00 54.22 C ATOM 1186 O SER A 85 14.210 30.021 -4.856 1.00 54.13 O ATOM 1187 CB SER A 85 16.925 28.278 -5.538 1.00 52.44 C ATOM 1188 OG SER A 85 16.514 28.182 -6.891 1.00 64.23 O ATOM 0 H SER A 85 14.051 27.845 -5.805 1.00 74.11 H new ATOM 0 HA SER A 85 16.049 27.709 -3.660 1.00 73.22 H new ATOM 0 HB2 SER A 85 17.441 29.225 -5.378 1.00 52.44 H new ATOM 0 HB3 SER A 85 17.638 27.485 -5.314 1.00 52.44 H new ATOM 0 HG SER A 85 17.297 28.251 -7.476 1.00 64.23 H new ATOM 1194 N THR A 86 15.859 30.252 -3.343 1.00 10.01 N ATOM 1195 CA THR A 86 15.455 31.594 -2.945 1.00 55.51 C ATOM 1196 C THR A 86 16.665 32.454 -2.599 1.00 63.34 C ATOM 1197 O THR A 86 17.713 31.938 -2.209 1.00 11.43 O ATOM 1198 CB THR A 86 14.502 31.559 -1.735 1.00 22.20 C ATOM 1199 OG1 THR A 86 13.857 30.283 -1.657 1.00 30.13 O ATOM 1200 CG2 THR A 86 13.455 32.657 -1.838 1.00 75.03 C ATOM 0 H THR A 86 16.678 29.895 -2.851 1.00 10.01 H new ATOM 0 HA THR A 86 14.934 32.031 -3.797 1.00 55.51 H new ATOM 0 HB THR A 86 15.090 31.724 -0.832 1.00 22.20 H new ATOM 0 HG1 THR A 86 13.517 30.143 -0.749 1.00 30.13 H new ATOM 0 HG21 THR A 86 12.794 32.612 -0.972 1.00 75.03 H new ATOM 0 HG22 THR A 86 13.948 33.629 -1.868 1.00 75.03 H new ATOM 0 HG23 THR A 86 12.871 32.519 -2.748 1.00 75.03 H new ATOM 1208 N ASP A 87 16.515 33.765 -2.745 1.00 13.52 N ATOM 1209 CA ASP A 87 17.596 34.697 -2.446 1.00 2.01 C ATOM 1210 C ASP A 87 17.289 35.500 -1.186 1.00 21.25 C ATOM 1211 O ASP A 87 16.234 36.125 -1.077 1.00 2.21 O ATOM 1212 CB ASP A 87 17.823 35.644 -3.626 1.00 24.54 C ATOM 1213 CG ASP A 87 18.762 36.783 -3.281 1.00 63.12 C ATOM 1214 OD1 ASP A 87 19.771 36.531 -2.590 1.00 1.42 O ATOM 1215 OD2 ASP A 87 18.488 37.926 -3.702 1.00 51.34 O ATOM 0 H ASP A 87 15.655 34.207 -3.069 1.00 13.52 H new ATOM 0 HA ASP A 87 18.504 34.118 -2.274 1.00 2.01 H new ATOM 0 HB2 ASP A 87 18.231 35.082 -4.466 1.00 24.54 H new ATOM 0 HB3 ASP A 87 16.866 36.052 -3.950 1.00 24.54 H new ATOM 1220 N PHE A 88 18.217 35.477 -0.235 1.00 22.33 N ATOM 1221 CA PHE A 88 18.045 36.201 1.019 1.00 30.45 C ATOM 1222 C PHE A 88 19.247 37.098 1.299 1.00 51.22 C ATOM 1223 O PHE A 88 20.358 36.617 1.521 1.00 30.43 O ATOM 1224 CB PHE A 88 17.847 35.219 2.176 1.00 24.04 C ATOM 1225 CG PHE A 88 16.404 34.945 2.490 1.00 3.25 C ATOM 1226 CD1 PHE A 88 15.604 35.929 3.049 1.00 44.34 C ATOM 1227 CD2 PHE A 88 15.848 33.704 2.227 1.00 13.11 C ATOM 1228 CE1 PHE A 88 14.276 35.680 3.339 1.00 25.42 C ATOM 1229 CE2 PHE A 88 14.520 33.449 2.515 1.00 21.32 C ATOM 1230 CZ PHE A 88 13.733 34.438 3.071 1.00 3.31 C ATOM 0 H PHE A 88 19.096 34.965 -0.309 1.00 22.33 H new ATOM 0 HA PHE A 88 17.159 36.829 0.928 1.00 30.45 H new ATOM 0 HB2 PHE A 88 18.342 34.279 1.933 1.00 24.04 H new ATOM 0 HB3 PHE A 88 18.335 35.616 3.066 1.00 24.04 H new ATOM 0 HD1 PHE A 88 16.023 36.902 3.260 1.00 44.34 H new ATOM 0 HD2 PHE A 88 16.459 32.927 1.792 1.00 13.11 H new ATOM 0 HE1 PHE A 88 13.663 36.455 3.775 1.00 25.42 H new ATOM 0 HE2 PHE A 88 14.099 32.477 2.305 1.00 21.32 H new ATOM 0 HZ PHE A 88 12.695 34.241 3.296 1.00 3.31 H new ATOM 1240 N LYS A 89 19.016 38.407 1.285 1.00 64.40 N ATOM 1241 CA LYS A 89 20.078 39.374 1.537 1.00 30.21 C ATOM 1242 C LYS A 89 19.991 39.918 2.959 1.00 4.34 C ATOM 1243 O LYS A 89 19.088 40.688 3.286 1.00 32.23 O ATOM 1244 CB LYS A 89 19.996 40.526 0.533 1.00 72.41 C ATOM 1245 CG LYS A 89 21.211 41.436 0.551 1.00 43.30 C ATOM 1246 CD LYS A 89 22.177 41.100 -0.573 1.00 55.44 C ATOM 1247 CE LYS A 89 22.584 42.344 -1.348 1.00 51.14 C ATOM 1248 NZ LYS A 89 21.925 42.407 -2.682 1.00 51.13 N ATOM 0 H LYS A 89 18.103 38.822 1.102 1.00 64.40 H new ATOM 0 HA LYS A 89 21.035 38.865 1.419 1.00 30.21 H new ATOM 0 HB2 LYS A 89 19.875 40.115 -0.469 1.00 72.41 H new ATOM 0 HB3 LYS A 89 19.106 41.118 0.744 1.00 72.41 H new ATOM 0 HG2 LYS A 89 20.891 42.474 0.458 1.00 43.30 H new ATOM 0 HG3 LYS A 89 21.721 41.344 1.510 1.00 43.30 H new ATOM 0 HD2 LYS A 89 23.065 40.620 -0.160 1.00 55.44 H new ATOM 0 HD3 LYS A 89 21.713 40.383 -1.251 1.00 55.44 H new ATOM 0 HE2 LYS A 89 22.324 43.232 -0.772 1.00 51.14 H new ATOM 0 HE3 LYS A 89 23.666 42.354 -1.477 1.00 51.14 H new ATOM 0 HZ1 LYS A 89 22.228 43.269 -3.179 1.00 51.13 H new ATOM 0 HZ2 LYS A 89 22.193 41.572 -3.242 1.00 51.13 H new ATOM 0 HZ3 LYS A 89 20.892 42.424 -2.559 1.00 51.13 H new ATOM 1262 N VAL A 90 20.938 39.515 3.801 1.00 12.02 N ATOM 1263 CA VAL A 90 20.970 39.965 5.188 1.00 72.32 C ATOM 1264 C VAL A 90 21.927 41.138 5.363 1.00 52.40 C ATOM 1265 O VAL A 90 23.146 40.974 5.308 1.00 41.24 O ATOM 1266 CB VAL A 90 21.391 38.827 6.137 1.00 13.22 C ATOM 1267 CG1 VAL A 90 22.701 38.205 5.678 1.00 53.32 C ATOM 1268 CG2 VAL A 90 21.506 39.340 7.565 1.00 43.45 C ATOM 0 H VAL A 90 21.693 38.878 3.547 1.00 12.02 H new ATOM 0 HA VAL A 90 19.959 40.284 5.441 1.00 72.32 H new ATOM 0 HB VAL A 90 20.622 38.054 6.113 1.00 13.22 H new ATOM 0 HG11 VAL A 90 22.982 37.403 6.361 1.00 53.32 H new ATOM 0 HG12 VAL A 90 22.579 37.800 4.673 1.00 53.32 H new ATOM 0 HG13 VAL A 90 23.482 38.965 5.670 1.00 53.32 H new ATOM 0 HG21 VAL A 90 21.804 38.523 8.222 1.00 43.45 H new ATOM 0 HG22 VAL A 90 22.254 40.132 7.608 1.00 43.45 H new ATOM 0 HG23 VAL A 90 20.542 39.733 7.889 1.00 43.45 H new ATOM 1278 N THR A 91 21.367 42.325 5.575 1.00 15.34 N ATOM 1279 CA THR A 91 22.169 43.528 5.758 1.00 24.33 C ATOM 1280 C THR A 91 21.669 44.348 6.941 1.00 13.53 C ATOM 1281 O THR A 91 20.465 44.442 7.178 1.00 74.25 O ATOM 1282 CB THR A 91 22.157 44.409 4.495 1.00 62.11 C ATOM 1283 OG1 THR A 91 22.720 43.691 3.391 1.00 22.24 O ATOM 1284 CG2 THR A 91 22.940 45.693 4.723 1.00 1.03 C ATOM 0 H THR A 91 20.360 42.479 5.624 1.00 15.34 H new ATOM 0 HA THR A 91 23.190 43.200 5.953 1.00 24.33 H new ATOM 0 HB THR A 91 21.122 44.668 4.270 1.00 62.11 H new ATOM 0 HG1 THR A 91 22.707 44.258 2.592 1.00 22.24 H new ATOM 0 HG21 THR A 91 22.917 46.299 3.817 1.00 1.03 H new ATOM 0 HG22 THR A 91 22.491 46.252 5.544 1.00 1.03 H new ATOM 0 HG23 THR A 91 23.973 45.450 4.971 1.00 1.03 H new ATOM 1292 N GLN A 92 22.600 44.942 7.681 1.00 63.34 N ATOM 1293 CA GLN A 92 22.252 45.755 8.840 1.00 52.04 C ATOM 1294 C GLN A 92 21.289 46.872 8.451 1.00 43.41 C ATOM 1295 O GLN A 92 20.830 47.634 9.302 1.00 15.34 O ATOM 1296 CB GLN A 92 23.513 46.348 9.470 1.00 13.44 C ATOM 1297 CG GLN A 92 24.323 47.210 8.516 1.00 50.24 C ATOM 1298 CD GLN A 92 25.176 48.235 9.236 1.00 43.41 C ATOM 1299 OE1 GLN A 92 26.168 47.892 9.880 1.00 0.31 O ATOM 1300 NE2 GLN A 92 24.795 49.503 9.131 1.00 74.15 N ATOM 0 H GLN A 92 23.601 44.875 7.498 1.00 63.34 H new ATOM 0 HA GLN A 92 21.758 45.112 9.569 1.00 52.04 H new ATOM 0 HB2 GLN A 92 23.229 46.947 10.335 1.00 13.44 H new ATOM 0 HB3 GLN A 92 24.142 45.537 9.836 1.00 13.44 H new ATOM 0 HG2 GLN A 92 24.965 46.570 7.910 1.00 50.24 H new ATOM 0 HG3 GLN A 92 23.646 47.722 7.832 1.00 50.24 H new ATOM 0 HE21 GLN A 92 23.966 49.743 8.587 1.00 74.15 H new ATOM 0 HE22 GLN A 92 25.331 50.237 9.594 1.00 74.15 H new