USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=28 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 49 ASN : amide:sc= -1.35 K(o=-2.9,f=-14!) USER MOD Set 1.2: A 50 THR OG1 : rot 171:sc= -0.614 USER MOD Set 1.3: A 69 ASN : amide:sc= -0.956 K(o=-2.9,f=-4.9) USER MOD Single : A 7 SER OG : rot 180:sc= -1.5 USER MOD Single : A 9 SER OG : rot 180:sc= 0 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= -0.391 K(o=-0.39,f=-3.7!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.104 USER MOD Single : A 16 THR OG1 : rot 51:sc= 1.14 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.427 (180deg=0.312) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.516 USER MOD Single : A 34 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.28) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -58:sc= -4.89! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.573 USER MOD Single : A 57 ASN : amide:sc= -3.33 K(o=-3.3,f=-5.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.408 USER MOD Single : A 62 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.0061) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 72 ASN : amide:sc= -0.963 X(o=-0.96,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.0613 (180deg=-1.03) USER MOD Single : A 76 THR OG1 : rot 154:sc= -0.606 USER MOD Single : A 78 SER OG : rot 180:sc= -0.865 USER MOD Single : A 83 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 170:sc= -1.03 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 Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.707 7.455 -4.063 1.00 21.42 N ATOM 43 CA ALA A 4 4.862 8.038 -4.735 1.00 30.45 C ATOM 44 C ALA A 4 4.762 9.559 -4.777 1.00 63.41 C ATOM 45 O ALA A 4 3.672 10.116 -4.910 1.00 40.24 O ATOM 46 CB ALA A 4 4.993 7.476 -6.142 1.00 71.34 C ATOM 0 HA ALA A 4 5.754 7.774 -4.167 1.00 30.45 H new ATOM 0 HB1 ALA A 4 5.859 7.920 -6.632 1.00 71.34 H new ATOM 0 HB2 ALA A 4 5.119 6.395 -6.092 1.00 71.34 H new ATOM 0 HB3 ALA A 4 4.094 7.710 -6.712 1.00 71.34 H new ATOM 52 N LEU A 5 5.906 10.225 -4.662 1.00 53.13 N ATOM 53 CA LEU A 5 5.947 11.683 -4.687 1.00 42.11 C ATOM 54 C LEU A 5 5.241 12.227 -5.925 1.00 1.01 C ATOM 55 O LEU A 5 5.254 11.602 -6.985 1.00 62.52 O ATOM 56 CB LEU A 5 7.396 12.172 -4.656 1.00 42.32 C ATOM 57 CG LEU A 5 7.772 13.086 -3.489 1.00 34.32 C ATOM 58 CD1 LEU A 5 7.009 14.399 -3.572 1.00 31.22 C ATOM 59 CD2 LEU A 5 7.501 12.393 -2.161 1.00 62.32 C ATOM 0 H LEU A 5 6.817 9.779 -4.551 1.00 53.13 H new ATOM 0 HA LEU A 5 5.426 12.052 -3.803 1.00 42.11 H new ATOM 0 HB2 LEU A 5 8.052 11.301 -4.635 1.00 42.32 H new ATOM 0 HB3 LEU A 5 7.599 12.702 -5.586 1.00 42.32 H new ATOM 0 HG LEU A 5 8.838 13.304 -3.552 1.00 34.32 H new ATOM 0 HD11 LEU A 5 7.289 15.036 -2.733 1.00 31.22 H new ATOM 0 HD12 LEU A 5 7.252 14.902 -4.508 1.00 31.22 H new ATOM 0 HD13 LEU A 5 5.938 14.200 -3.534 1.00 31.22 H new ATOM 0 HD21 LEU A 5 7.774 13.058 -1.341 1.00 62.32 H new ATOM 0 HD22 LEU A 5 6.442 12.145 -2.089 1.00 62.32 H new ATOM 0 HD23 LEU A 5 8.092 11.479 -2.100 1.00 62.32 H new ATOM 71 N VAL A 6 4.627 13.397 -5.783 1.00 52.32 N ATOM 72 CA VAL A 6 3.918 14.028 -6.891 1.00 21.35 C ATOM 73 C VAL A 6 4.237 15.516 -6.971 1.00 2.31 C ATOM 74 O VAL A 6 4.763 15.996 -7.976 1.00 34.44 O ATOM 75 CB VAL A 6 2.394 13.847 -6.757 1.00 43.12 C ATOM 76 CG1 VAL A 6 1.672 14.547 -7.898 1.00 34.00 C ATOM 77 CG2 VAL A 6 2.035 12.369 -6.714 1.00 41.53 C ATOM 0 H VAL A 6 4.606 13.927 -4.912 1.00 52.32 H new ATOM 0 HA VAL A 6 4.256 13.538 -7.804 1.00 21.35 H new ATOM 0 HB VAL A 6 2.072 14.303 -5.821 1.00 43.12 H new ATOM 0 HG11 VAL A 6 0.596 14.409 -7.787 1.00 34.00 H new ATOM 0 HG12 VAL A 6 1.905 15.612 -7.877 1.00 34.00 H new ATOM 0 HG13 VAL A 6 1.996 14.123 -8.848 1.00 34.00 H new ATOM 0 HG21 VAL A 6 0.955 12.260 -6.619 1.00 41.53 H new ATOM 0 HG22 VAL A 6 2.369 11.886 -7.632 1.00 41.53 H new ATOM 0 HG23 VAL A 6 2.523 11.901 -5.860 1.00 41.53 H new ATOM 87 N SER A 7 3.917 16.243 -5.905 1.00 55.12 N ATOM 88 CA SER A 7 4.166 17.679 -5.856 1.00 21.11 C ATOM 89 C SER A 7 4.435 18.135 -4.425 1.00 32.20 C ATOM 90 O SER A 7 4.324 17.351 -3.481 1.00 42.44 O ATOM 91 CB SER A 7 2.974 18.445 -6.432 1.00 12.21 C ATOM 92 OG SER A 7 2.334 17.700 -7.453 1.00 73.11 O ATOM 0 H SER A 7 3.485 15.861 -5.064 1.00 55.12 H new ATOM 0 HA SER A 7 5.049 17.890 -6.458 1.00 21.11 H new ATOM 0 HB2 SER A 7 2.261 18.666 -5.637 1.00 12.21 H new ATOM 0 HB3 SER A 7 3.311 19.401 -6.832 1.00 12.21 H new ATOM 0 HG SER A 7 1.575 18.211 -7.804 1.00 73.11 H new ATOM 98 N ILE A 8 4.788 19.407 -4.273 1.00 23.55 N ATOM 99 CA ILE A 8 5.072 19.968 -2.958 1.00 31.35 C ATOM 100 C ILE A 8 4.644 21.429 -2.880 1.00 2.34 C ATOM 101 O ILE A 8 4.575 22.121 -3.895 1.00 52.42 O ATOM 102 CB ILE A 8 6.569 19.863 -2.612 1.00 2.50 C ATOM 103 CG1 ILE A 8 7.389 20.789 -3.514 1.00 34.03 C ATOM 104 CG2 ILE A 8 7.045 18.425 -2.748 1.00 22.11 C ATOM 105 CD1 ILE A 8 7.620 22.161 -2.921 1.00 12.14 C ATOM 0 H ILE A 8 4.884 20.068 -5.044 1.00 23.55 H new ATOM 0 HA ILE A 8 4.500 19.385 -2.236 1.00 31.35 H new ATOM 0 HB ILE A 8 6.710 20.175 -1.577 1.00 2.50 H new ATOM 0 HG12 ILE A 8 8.353 20.323 -3.718 1.00 34.03 H new ATOM 0 HG13 ILE A 8 6.878 20.897 -4.471 1.00 34.03 H new ATOM 0 HG21 ILE A 8 8.105 18.368 -2.500 1.00 22.11 H new ATOM 0 HG22 ILE A 8 6.478 17.788 -2.068 1.00 22.11 H new ATOM 0 HG23 ILE A 8 6.893 18.087 -3.773 1.00 22.11 H new ATOM 0 HD11 ILE A 8 8.208 22.763 -3.614 1.00 12.14 H new ATOM 0 HD12 ILE A 8 6.661 22.646 -2.742 1.00 12.14 H new ATOM 0 HD13 ILE A 8 8.159 22.064 -1.978 1.00 12.14 H new ATOM 117 N SER A 9 4.360 21.893 -1.667 1.00 1.21 N ATOM 118 CA SER A 9 3.937 23.273 -1.456 1.00 22.31 C ATOM 119 C SER A 9 4.968 24.037 -0.630 1.00 71.42 C ATOM 120 O SER A 9 5.116 23.803 0.569 1.00 24.23 O ATOM 121 CB SER A 9 2.577 23.310 -0.756 1.00 42.21 C ATOM 122 OG SER A 9 1.915 22.062 -0.861 1.00 61.31 O ATOM 0 H SER A 9 4.415 21.334 -0.816 1.00 1.21 H new ATOM 0 HA SER A 9 3.850 23.754 -2.430 1.00 22.31 H new ATOM 0 HB2 SER A 9 2.712 23.566 0.295 1.00 42.21 H new ATOM 0 HB3 SER A 9 1.959 24.091 -1.197 1.00 42.21 H new ATOM 0 HG SER A 9 1.049 22.111 -0.404 1.00 61.31 H new ATOM 128 N VAL A 10 5.678 24.952 -1.282 1.00 24.30 N ATOM 129 CA VAL A 10 6.695 25.752 -0.610 1.00 20.15 C ATOM 130 C VAL A 10 6.379 27.240 -0.711 1.00 64.14 C ATOM 131 O VAL A 10 5.995 27.732 -1.772 1.00 41.22 O ATOM 132 CB VAL A 10 8.094 25.493 -1.200 1.00 10.41 C ATOM 133 CG1 VAL A 10 8.657 24.178 -0.684 1.00 74.31 C ATOM 134 CG2 VAL A 10 8.040 25.500 -2.720 1.00 52.21 C ATOM 0 H VAL A 10 5.568 25.158 -2.275 1.00 24.30 H new ATOM 0 HA VAL A 10 6.691 25.453 0.438 1.00 20.15 H new ATOM 0 HB VAL A 10 8.759 26.295 -0.879 1.00 10.41 H new ATOM 0 HG11 VAL A 10 9.646 24.013 -1.112 1.00 74.31 H new ATOM 0 HG12 VAL A 10 8.734 24.216 0.403 1.00 74.31 H new ATOM 0 HG13 VAL A 10 7.996 23.361 -0.972 1.00 74.31 H new ATOM 0 HG21 VAL A 10 9.037 25.316 -3.120 1.00 52.21 H new ATOM 0 HG22 VAL A 10 7.361 24.720 -3.064 1.00 52.21 H new ATOM 0 HG23 VAL A 10 7.683 26.470 -3.067 1.00 52.21 H new ATOM 144 N SER A 11 6.545 27.952 0.399 1.00 72.31 N ATOM 145 CA SER A 11 6.274 29.384 0.436 1.00 44.11 C ATOM 146 C SER A 11 7.555 30.172 0.695 1.00 52.22 C ATOM 147 O SER A 11 7.735 30.785 1.747 1.00 20.24 O ATOM 148 CB SER A 11 5.239 29.701 1.517 1.00 44.40 C ATOM 149 OG SER A 11 4.202 28.736 1.529 1.00 41.01 O ATOM 0 H SER A 11 6.866 27.560 1.285 1.00 72.31 H new ATOM 0 HA SER A 11 5.876 29.679 -0.535 1.00 44.11 H new ATOM 0 HB2 SER A 11 5.725 29.730 2.492 1.00 44.40 H new ATOM 0 HB3 SER A 11 4.817 30.691 1.342 1.00 44.40 H new ATOM 0 HG SER A 11 3.555 28.960 2.230 1.00 41.01 H new ATOM 155 N PRO A 12 8.467 30.157 -0.288 1.00 60.14 N ATOM 156 CA PRO A 12 9.747 30.865 -0.192 1.00 31.01 C ATOM 157 C PRO A 12 9.577 32.380 -0.240 1.00 74.54 C ATOM 158 O PRO A 12 8.674 32.893 -0.902 1.00 74.22 O ATOM 159 CB PRO A 12 10.517 30.374 -1.420 1.00 64.01 C ATOM 160 CG PRO A 12 9.463 29.972 -2.393 1.00 2.01 C ATOM 161 CD PRO A 12 8.319 29.448 -1.570 1.00 71.53 C ATOM 0 HA PRO A 12 10.253 30.666 0.753 1.00 31.01 H new ATOM 0 HB2 PRO A 12 11.154 31.159 -1.828 1.00 64.01 H new ATOM 0 HB3 PRO A 12 11.166 29.535 -1.171 1.00 64.01 H new ATOM 0 HG2 PRO A 12 9.150 30.820 -3.002 1.00 2.01 H new ATOM 0 HG3 PRO A 12 9.834 29.209 -3.077 1.00 2.01 H new ATOM 0 HD2 PRO A 12 7.358 29.660 -2.038 1.00 71.53 H new ATOM 0 HD3 PRO A 12 8.379 28.367 -1.441 1.00 71.53 H new ATOM 169 N THR A 13 10.450 33.092 0.464 1.00 23.35 N ATOM 170 CA THR A 13 10.396 34.548 0.502 1.00 21.42 C ATOM 171 C THR A 13 11.653 35.161 -0.104 1.00 60.45 C ATOM 172 O THR A 13 12.746 35.031 0.446 1.00 73.14 O ATOM 173 CB THR A 13 10.230 35.066 1.943 1.00 13.40 C ATOM 174 OG1 THR A 13 9.016 34.559 2.509 1.00 23.04 O ATOM 175 CG2 THR A 13 10.212 36.587 1.972 1.00 55.31 C ATOM 0 H THR A 13 11.204 32.684 1.016 1.00 23.35 H new ATOM 0 HA THR A 13 9.529 34.848 -0.087 1.00 21.42 H new ATOM 0 HB THR A 13 11.078 34.717 2.531 1.00 13.40 H new ATOM 0 HG1 THR A 13 8.919 34.891 3.426 1.00 23.04 H new ATOM 0 HG21 THR A 13 10.094 36.930 3.000 1.00 55.31 H new ATOM 0 HG22 THR A 13 11.149 36.970 1.567 1.00 55.31 H new ATOM 0 HG23 THR A 13 9.380 36.953 1.370 1.00 55.31 H new ATOM 183 N ASN A 14 11.490 35.829 -1.241 1.00 41.44 N ATOM 184 CA ASN A 14 12.613 36.463 -1.923 1.00 0.10 C ATOM 185 C ASN A 14 12.697 37.945 -1.571 1.00 12.21 C ATOM 186 O ASN A 14 12.165 38.795 -2.286 1.00 32.44 O ATOM 187 CB ASN A 14 12.478 36.294 -3.438 1.00 4.14 C ATOM 188 CG ASN A 14 11.075 36.591 -3.930 1.00 42.11 C ATOM 189 OD1 ASN A 14 10.300 37.270 -3.256 1.00 74.45 O ATOM 190 ND2 ASN A 14 10.743 36.083 -5.111 1.00 33.41 N ATOM 0 H ASN A 14 10.592 35.946 -1.710 1.00 41.44 H new ATOM 0 HA ASN A 14 13.530 35.976 -1.590 1.00 0.10 H new ATOM 0 HB2 ASN A 14 13.184 36.957 -3.939 1.00 4.14 H new ATOM 0 HB3 ASN A 14 12.748 35.274 -3.713 1.00 4.14 H new ATOM 0 HD21 ASN A 14 9.813 36.250 -5.495 1.00 33.41 H new ATOM 0 HD22 ASN A 14 11.418 35.526 -5.635 1.00 33.41 H new ATOM 197 N SER A 15 13.369 38.248 -0.465 1.00 0.11 N ATOM 198 CA SER A 15 13.520 39.627 -0.016 1.00 2.13 C ATOM 199 C SER A 15 14.830 39.810 0.745 1.00 12.13 C ATOM 200 O SER A 15 15.651 38.895 0.822 1.00 51.41 O ATOM 201 CB SER A 15 12.341 40.029 0.872 1.00 32.21 C ATOM 202 OG SER A 15 11.106 39.696 0.262 1.00 62.54 O ATOM 0 H SER A 15 13.818 37.557 0.137 1.00 0.11 H new ATOM 0 HA SER A 15 13.538 40.270 -0.896 1.00 2.13 H new ATOM 0 HB2 SER A 15 12.421 39.528 1.837 1.00 32.21 H new ATOM 0 HB3 SER A 15 12.377 41.101 1.066 1.00 32.21 H new ATOM 0 HG SER A 15 10.368 39.962 0.850 1.00 62.54 H new ATOM 208 N THR A 16 15.019 41.000 1.308 1.00 71.31 N ATOM 209 CA THR A 16 16.228 41.305 2.062 1.00 0.01 C ATOM 210 C THR A 16 15.918 41.501 3.542 1.00 63.22 C ATOM 211 O THR A 16 14.808 41.886 3.908 1.00 0.24 O ATOM 212 CB THR A 16 16.922 42.570 1.523 1.00 62.01 C ATOM 213 OG1 THR A 16 17.918 43.015 2.450 1.00 3.21 O ATOM 214 CG2 THR A 16 15.912 43.682 1.284 1.00 74.41 C ATOM 0 H THR A 16 14.350 41.768 1.256 1.00 71.31 H new ATOM 0 HA THR A 16 16.898 40.453 1.943 1.00 0.01 H new ATOM 0 HB THR A 16 17.395 42.321 0.573 1.00 62.01 H new ATOM 0 HG1 THR A 16 18.502 42.265 2.687 1.00 3.21 H new ATOM 0 HG21 THR A 16 16.426 44.565 0.904 1.00 74.41 H new ATOM 0 HG22 THR A 16 15.172 43.351 0.556 1.00 74.41 H new ATOM 0 HG23 THR A 16 15.413 43.928 2.221 1.00 74.41 H new ATOM 222 N VAL A 17 16.907 41.234 4.389 1.00 21.51 N ATOM 223 CA VAL A 17 16.740 41.382 5.830 1.00 44.21 C ATOM 224 C VAL A 17 17.946 42.076 6.454 1.00 61.01 C ATOM 225 O VAL A 17 19.047 42.042 5.905 1.00 1.41 O ATOM 226 CB VAL A 17 16.536 40.018 6.515 1.00 55.00 C ATOM 227 CG1 VAL A 17 15.358 39.280 5.895 1.00 5.51 C ATOM 228 CG2 VAL A 17 17.804 39.183 6.428 1.00 21.13 C ATOM 0 H VAL A 17 17.832 40.914 4.102 1.00 21.51 H new ATOM 0 HA VAL A 17 15.851 41.994 5.984 1.00 44.21 H new ATOM 0 HB VAL A 17 16.313 40.190 7.568 1.00 55.00 H new ATOM 0 HG11 VAL A 17 15.229 38.318 6.392 1.00 5.51 H new ATOM 0 HG12 VAL A 17 14.452 39.875 6.015 1.00 5.51 H new ATOM 0 HG13 VAL A 17 15.548 39.118 4.834 1.00 5.51 H new ATOM 0 HG21 VAL A 17 17.641 38.223 6.917 1.00 21.13 H new ATOM 0 HG22 VAL A 17 18.060 39.018 5.381 1.00 21.13 H new ATOM 0 HG23 VAL A 17 18.621 39.709 6.923 1.00 21.13 H new ATOM 238 N ALA A 18 17.730 42.704 7.605 1.00 42.31 N ATOM 239 CA ALA A 18 18.800 43.404 8.305 1.00 13.25 C ATOM 240 C ALA A 18 19.765 42.420 8.957 1.00 30.13 C ATOM 241 O ALA A 18 19.499 41.219 9.016 1.00 52.32 O ATOM 242 CB ALA A 18 18.219 44.346 9.349 1.00 14.34 C ATOM 0 H ALA A 18 16.824 42.742 8.072 1.00 42.31 H new ATOM 0 HA ALA A 18 19.358 43.989 7.573 1.00 13.25 H new ATOM 0 HB1 ALA A 18 19.029 44.862 9.864 1.00 14.34 H new ATOM 0 HB2 ALA A 18 17.575 45.077 8.861 1.00 14.34 H new ATOM 0 HB3 ALA A 18 17.636 43.774 10.071 1.00 14.34 H new ATOM 248 N LYS A 19 20.888 42.935 9.446 1.00 12.51 N ATOM 249 CA LYS A 19 21.894 42.103 10.095 1.00 72.33 C ATOM 250 C LYS A 19 21.309 41.391 11.311 1.00 62.15 C ATOM 251 O LYS A 19 20.532 41.971 12.068 1.00 44.24 O ATOM 252 CB LYS A 19 23.094 42.953 10.516 1.00 24.25 C ATOM 253 CG LYS A 19 24.413 42.200 10.487 1.00 62.22 C ATOM 254 CD LYS A 19 24.760 41.629 11.852 1.00 43.23 C ATOM 255 CE LYS A 19 26.142 40.994 11.855 1.00 21.50 C ATOM 256 NZ LYS A 19 27.143 41.846 12.555 1.00 70.41 N ATOM 0 H LYS A 19 21.124 43.926 9.405 1.00 12.51 H new ATOM 0 HA LYS A 19 22.224 41.350 9.379 1.00 72.33 H new ATOM 0 HB2 LYS A 19 23.165 43.818 9.857 1.00 24.25 H new ATOM 0 HB3 LYS A 19 22.924 43.333 11.524 1.00 24.25 H new ATOM 0 HG2 LYS A 19 24.356 41.392 9.758 1.00 62.22 H new ATOM 0 HG3 LYS A 19 25.208 42.870 10.159 1.00 62.22 H new ATOM 0 HD2 LYS A 19 24.721 42.421 12.600 1.00 43.23 H new ATOM 0 HD3 LYS A 19 24.016 40.885 12.136 1.00 43.23 H new ATOM 0 HE2 LYS A 19 26.093 40.019 12.340 1.00 21.50 H new ATOM 0 HE3 LYS A 19 26.465 40.823 10.828 1.00 21.50 H new ATOM 0 HZ1 LYS A 19 28.072 41.378 12.535 1.00 70.41 H new ATOM 0 HZ2 LYS A 19 27.209 42.767 12.077 1.00 70.41 H new ATOM 0 HZ3 LYS A 19 26.848 41.988 13.542 1.00 70.41 H new ATOM 270 N GLY A 20 21.690 40.130 11.492 1.00 34.21 N ATOM 271 CA GLY A 20 21.194 39.361 12.619 1.00 63.54 C ATOM 272 C GLY A 20 19.690 39.181 12.581 1.00 34.40 C ATOM 273 O GLY A 20 18.939 40.098 12.914 1.00 15.23 O ATOM 0 H GLY A 20 22.332 39.628 10.879 1.00 34.21 H new ATOM 0 HA2 GLY A 20 21.674 38.382 12.626 1.00 63.54 H new ATOM 0 HA3 GLY A 20 21.474 39.860 13.547 1.00 63.54 H new ATOM 277 N LEU A 21 19.247 37.996 12.173 1.00 1.40 N ATOM 278 CA LEU A 21 17.821 37.699 12.091 1.00 3.12 C ATOM 279 C LEU A 21 17.590 36.229 11.757 1.00 72.01 C ATOM 280 O LEU A 21 18.528 35.503 11.429 1.00 33.44 O ATOM 281 CB LEU A 21 17.155 38.585 11.037 1.00 62.33 C ATOM 282 CG LEU A 21 17.433 38.217 9.579 1.00 45.23 C ATOM 283 CD1 LEU A 21 18.904 37.882 9.384 1.00 41.30 C ATOM 284 CD2 LEU A 21 16.557 37.051 9.146 1.00 21.22 C ATOM 0 H LEU A 21 19.855 37.226 11.894 1.00 1.40 H new ATOM 0 HA LEU A 21 17.375 37.906 13.064 1.00 3.12 H new ATOM 0 HB2 LEU A 21 16.077 38.560 11.198 1.00 62.33 H new ATOM 0 HB3 LEU A 21 17.477 39.613 11.199 1.00 62.33 H new ATOM 0 HG LEU A 21 17.191 39.078 8.955 1.00 45.23 H new ATOM 0 HD11 LEU A 21 19.083 37.623 8.341 1.00 41.30 H new ATOM 0 HD12 LEU A 21 19.513 38.745 9.653 1.00 41.30 H new ATOM 0 HD13 LEU A 21 19.172 37.038 10.019 1.00 41.30 H new ATOM 0 HD21 LEU A 21 16.769 36.803 8.106 1.00 21.22 H new ATOM 0 HD22 LEU A 21 16.766 36.186 9.775 1.00 21.22 H new ATOM 0 HD23 LEU A 21 15.507 37.327 9.247 1.00 21.22 H new ATOM 296 N GLN A 22 16.335 35.799 11.840 1.00 30.01 N ATOM 297 CA GLN A 22 15.981 34.416 11.545 1.00 72.32 C ATOM 298 C GLN A 22 14.588 34.330 10.930 1.00 71.24 C ATOM 299 O GLN A 22 13.703 35.117 11.263 1.00 31.12 O ATOM 300 CB GLN A 22 16.043 33.568 12.817 1.00 54.51 C ATOM 301 CG GLN A 22 15.420 34.243 14.028 1.00 12.42 C ATOM 302 CD GLN A 22 15.592 33.436 15.299 1.00 22.44 C ATOM 303 OE1 GLN A 22 14.635 33.210 16.040 1.00 75.33 O ATOM 304 NE2 GLN A 22 16.817 32.995 15.559 1.00 25.15 N ATOM 0 H GLN A 22 15.547 36.388 12.109 1.00 30.01 H new ATOM 0 HA GLN A 22 16.701 34.029 10.824 1.00 72.32 H new ATOM 0 HB2 GLN A 22 15.534 32.621 12.638 1.00 54.51 H new ATOM 0 HB3 GLN A 22 17.084 33.334 13.037 1.00 54.51 H new ATOM 0 HG2 GLN A 22 15.871 35.226 14.163 1.00 12.42 H new ATOM 0 HG3 GLN A 22 14.357 34.402 13.844 1.00 12.42 H new ATOM 0 HE21 GLN A 22 17.582 33.205 14.918 1.00 25.15 H new ATOM 0 HE22 GLN A 22 16.993 32.446 16.400 1.00 25.15 H new ATOM 313 N GLU A 23 14.402 33.369 10.030 1.00 52.11 N ATOM 314 CA GLU A 23 13.116 33.182 9.368 1.00 41.23 C ATOM 315 C GLU A 23 12.703 31.713 9.386 1.00 0.31 C ATOM 316 O GLU A 23 13.546 30.820 9.319 1.00 70.21 O ATOM 317 CB GLU A 23 13.182 33.687 7.925 1.00 65.33 C ATOM 318 CG GLU A 23 12.670 35.107 7.752 1.00 24.22 C ATOM 319 CD GLU A 23 11.190 35.158 7.428 1.00 60.23 C ATOM 320 OE1 GLU A 23 10.404 34.495 8.136 1.00 73.02 O ATOM 321 OE2 GLU A 23 10.818 35.861 6.465 1.00 3.42 O ATOM 0 H GLU A 23 15.125 32.709 9.743 1.00 52.11 H new ATOM 0 HA GLU A 23 12.369 33.758 9.913 1.00 41.23 H new ATOM 0 HB2 GLU A 23 14.214 33.638 7.579 1.00 65.33 H new ATOM 0 HB3 GLU A 23 12.600 33.020 7.289 1.00 65.33 H new ATOM 0 HG2 GLU A 23 12.858 35.671 8.666 1.00 24.22 H new ATOM 0 HG3 GLU A 23 13.230 35.596 6.955 1.00 24.22 H new ATOM 328 N ASN A 24 11.399 31.472 9.478 1.00 2.53 N ATOM 329 CA ASN A 24 10.873 30.112 9.507 1.00 43.51 C ATOM 330 C ASN A 24 10.330 29.711 8.139 1.00 34.42 C ATOM 331 O ASN A 24 9.699 30.512 7.450 1.00 51.42 O ATOM 332 CB ASN A 24 9.772 29.991 10.562 1.00 54.53 C ATOM 333 CG ASN A 24 9.977 30.944 11.724 1.00 54.24 C ATOM 334 OD1 ASN A 24 9.324 31.984 11.810 1.00 10.45 O ATOM 335 ND2 ASN A 24 10.887 30.592 12.624 1.00 62.13 N ATOM 0 H ASN A 24 10.687 32.201 9.534 1.00 2.53 H new ATOM 0 HA ASN A 24 11.689 29.438 9.766 1.00 43.51 H new ATOM 0 HB2 ASN A 24 8.805 30.190 10.099 1.00 54.53 H new ATOM 0 HB3 ASN A 24 9.742 28.968 10.936 1.00 54.53 H new ATOM 0 HD21 ASN A 24 11.069 31.193 13.428 1.00 62.13 H new ATOM 0 HD22 ASN A 24 11.405 29.720 12.512 1.00 62.13 H new ATOM 342 N PHE A 25 10.578 28.464 7.753 1.00 60.41 N ATOM 343 CA PHE A 25 10.114 27.955 6.468 1.00 60.45 C ATOM 344 C PHE A 25 9.171 26.771 6.660 1.00 71.42 C ATOM 345 O PHE A 25 9.194 26.105 7.695 1.00 12.25 O ATOM 346 CB PHE A 25 11.304 27.538 5.600 1.00 31.25 C ATOM 347 CG PHE A 25 11.612 28.510 4.498 1.00 2.42 C ATOM 348 CD1 PHE A 25 11.834 29.849 4.779 1.00 33.12 C ATOM 349 CD2 PHE A 25 11.680 28.086 3.181 1.00 52.11 C ATOM 350 CE1 PHE A 25 12.118 30.747 3.767 1.00 20.52 C ATOM 351 CE2 PHE A 25 11.964 28.979 2.165 1.00 61.11 C ATOM 352 CZ PHE A 25 12.182 30.311 2.458 1.00 23.12 C ATOM 0 H PHE A 25 11.098 27.787 8.312 1.00 60.41 H new ATOM 0 HA PHE A 25 9.569 28.754 5.965 1.00 60.45 H new ATOM 0 HB2 PHE A 25 12.184 27.428 6.233 1.00 31.25 H new ATOM 0 HB3 PHE A 25 11.101 26.560 5.164 1.00 31.25 H new ATOM 0 HD1 PHE A 25 11.785 30.195 5.801 1.00 33.12 H new ATOM 0 HD2 PHE A 25 11.509 27.046 2.945 1.00 52.11 H new ATOM 0 HE1 PHE A 25 12.290 31.788 4.000 1.00 20.52 H new ATOM 0 HE2 PHE A 25 12.015 28.635 1.142 1.00 61.11 H new ATOM 0 HZ PHE A 25 12.402 31.010 1.665 1.00 23.12 H new ATOM 362 N LYS A 26 8.341 26.514 5.654 1.00 22.53 N ATOM 363 CA LYS A 26 7.390 25.410 5.710 1.00 53.21 C ATOM 364 C LYS A 26 7.211 24.776 4.334 1.00 20.12 C ATOM 365 O LYS A 26 7.086 25.475 3.330 1.00 54.44 O ATOM 366 CB LYS A 26 6.039 25.900 6.236 1.00 10.54 C ATOM 367 CG LYS A 26 5.910 25.822 7.748 1.00 64.22 C ATOM 368 CD LYS A 26 5.285 24.508 8.187 1.00 42.34 C ATOM 369 CE LYS A 26 6.215 23.727 9.102 1.00 31.14 C ATOM 370 NZ LYS A 26 7.034 22.738 8.348 1.00 32.13 N ATOM 0 H LYS A 26 8.308 27.055 4.790 1.00 22.53 H new ATOM 0 HA LYS A 26 7.787 24.656 6.390 1.00 53.21 H new ATOM 0 HB2 LYS A 26 5.888 26.932 5.920 1.00 10.54 H new ATOM 0 HB3 LYS A 26 5.245 25.308 5.781 1.00 10.54 H new ATOM 0 HG2 LYS A 26 6.894 25.928 8.204 1.00 64.22 H new ATOM 0 HG3 LYS A 26 5.302 26.653 8.106 1.00 64.22 H new ATOM 0 HD2 LYS A 26 4.346 24.705 8.704 1.00 42.34 H new ATOM 0 HD3 LYS A 26 5.046 23.907 7.310 1.00 42.34 H new ATOM 0 HE2 LYS A 26 6.874 24.419 9.627 1.00 31.14 H new ATOM 0 HE3 LYS A 26 5.628 23.209 9.860 1.00 31.14 H new ATOM 0 HZ1 LYS A 26 7.432 22.041 9.009 1.00 32.13 H new ATOM 0 HZ2 LYS A 26 6.435 22.251 7.650 1.00 32.13 H new ATOM 0 HZ3 LYS A 26 7.808 23.230 7.857 1.00 32.13 H new ATOM 384 N ALA A 27 7.199 23.447 4.297 1.00 2.51 N ATOM 385 CA ALA A 27 7.032 22.720 3.045 1.00 22.33 C ATOM 386 C ALA A 27 6.095 21.530 3.223 1.00 54.23 C ATOM 387 O ALA A 27 6.208 20.775 4.189 1.00 12.10 O ATOM 388 CB ALA A 27 8.383 22.256 2.520 1.00 32.12 C ATOM 0 H ALA A 27 7.303 22.853 5.119 1.00 2.51 H new ATOM 0 HA ALA A 27 6.584 23.397 2.317 1.00 22.33 H new ATOM 0 HB1 ALA A 27 8.243 21.714 1.584 1.00 32.12 H new ATOM 0 HB2 ALA A 27 9.023 23.121 2.346 1.00 32.12 H new ATOM 0 HB3 ALA A 27 8.852 21.599 3.253 1.00 32.12 H new ATOM 394 N THR A 28 5.167 21.368 2.284 1.00 0.41 N ATOM 395 CA THR A 28 4.208 20.272 2.338 1.00 65.12 C ATOM 396 C THR A 28 4.407 19.311 1.171 1.00 35.23 C ATOM 397 O THR A 28 4.399 19.718 0.010 1.00 13.14 O ATOM 398 CB THR A 28 2.759 20.792 2.319 1.00 34.23 C ATOM 399 OG1 THR A 28 2.720 22.151 2.769 1.00 72.22 O ATOM 400 CG2 THR A 28 1.865 19.934 3.203 1.00 40.42 C ATOM 0 H THR A 28 5.060 21.983 1.477 1.00 0.41 H new ATOM 0 HA THR A 28 4.383 19.743 3.275 1.00 65.12 H new ATOM 0 HB THR A 28 2.390 20.738 1.295 1.00 34.23 H new ATOM 0 HG1 THR A 28 1.795 22.475 2.752 1.00 72.22 H new ATOM 0 HG21 THR A 28 0.846 20.320 3.174 1.00 40.42 H new ATOM 0 HG22 THR A 28 1.874 18.906 2.841 1.00 40.42 H new ATOM 0 HG23 THR A 28 2.234 19.960 4.228 1.00 40.42 H new ATOM 408 N GLY A 29 4.584 18.032 1.488 1.00 74.53 N ATOM 409 CA GLY A 29 4.781 17.032 0.454 1.00 14.11 C ATOM 410 C GLY A 29 3.486 16.359 0.045 1.00 71.54 C ATOM 411 O GLY A 29 2.620 16.103 0.882 1.00 72.12 O ATOM 0 H GLY A 29 4.595 17.670 2.442 1.00 74.53 H new ATOM 0 HA2 GLY A 29 5.235 17.501 -0.419 1.00 14.11 H new ATOM 0 HA3 GLY A 29 5.482 16.278 0.811 1.00 14.11 H new ATOM 415 N ILE A 30 3.352 16.072 -1.246 1.00 24.10 N ATOM 416 CA ILE A 30 2.154 15.425 -1.764 1.00 74.32 C ATOM 417 C ILE A 30 2.478 14.056 -2.352 1.00 24.41 C ATOM 418 O ILE A 30 3.522 13.869 -2.978 1.00 74.44 O ATOM 419 CB ILE A 30 1.471 16.285 -2.844 1.00 1.43 C ATOM 420 CG1 ILE A 30 0.978 17.602 -2.241 1.00 4.54 C ATOM 421 CG2 ILE A 30 0.318 15.523 -3.478 1.00 72.23 C ATOM 422 CD1 ILE A 30 2.009 18.709 -2.281 1.00 62.24 C ATOM 0 H ILE A 30 4.059 16.278 -1.952 1.00 24.10 H new ATOM 0 HA ILE A 30 1.473 15.304 -0.922 1.00 74.32 H new ATOM 0 HB ILE A 30 2.201 16.513 -3.621 1.00 1.43 H new ATOM 0 HG12 ILE A 30 0.087 17.927 -2.778 1.00 4.54 H new ATOM 0 HG13 ILE A 30 0.682 17.430 -1.206 1.00 4.54 H new ATOM 0 HG21 ILE A 30 -0.154 16.144 -4.239 1.00 72.23 H new ATOM 0 HG22 ILE A 30 0.695 14.609 -3.938 1.00 72.23 H new ATOM 0 HG23 ILE A 30 -0.414 15.268 -2.712 1.00 72.23 H new ATOM 0 HD11 ILE A 30 1.590 19.612 -1.837 1.00 62.24 H new ATOM 0 HD12 ILE A 30 2.892 18.404 -1.719 1.00 62.24 H new ATOM 0 HD13 ILE A 30 2.288 18.909 -3.315 1.00 62.24 H new ATOM 434 N PHE A 31 1.577 13.101 -2.147 1.00 20.11 N ATOM 435 CA PHE A 31 1.767 11.748 -2.657 1.00 52.02 C ATOM 436 C PHE A 31 0.678 11.389 -3.664 1.00 32.21 C ATOM 437 O PHE A 31 -0.400 11.985 -3.671 1.00 4.32 O ATOM 438 CB PHE A 31 1.765 10.741 -1.505 1.00 74.24 C ATOM 439 CG PHE A 31 3.084 10.639 -0.796 1.00 25.13 C ATOM 440 CD1 PHE A 31 4.081 9.804 -1.275 1.00 32.44 C ATOM 441 CD2 PHE A 31 3.329 11.378 0.351 1.00 74.04 C ATOM 442 CE1 PHE A 31 5.297 9.708 -0.624 1.00 73.32 C ATOM 443 CE2 PHE A 31 4.542 11.287 1.005 1.00 65.51 C ATOM 444 CZ PHE A 31 5.527 10.450 0.518 1.00 63.53 C ATOM 0 H PHE A 31 0.708 13.239 -1.631 1.00 20.11 H new ATOM 0 HA PHE A 31 2.732 11.709 -3.162 1.00 52.02 H new ATOM 0 HB2 PHE A 31 0.996 11.025 -0.786 1.00 74.24 H new ATOM 0 HB3 PHE A 31 1.493 9.759 -1.892 1.00 74.24 H new ATOM 0 HD1 PHE A 31 3.906 9.221 -2.167 1.00 32.44 H new ATOM 0 HD2 PHE A 31 2.562 12.033 0.738 1.00 74.04 H new ATOM 0 HE1 PHE A 31 6.066 9.054 -1.008 1.00 73.32 H new ATOM 0 HE2 PHE A 31 4.720 11.870 1.897 1.00 65.51 H new ATOM 0 HZ PHE A 31 6.475 10.376 1.029 1.00 63.53 H new ATOM 454 N THR A 32 0.967 10.409 -4.515 1.00 32.02 N ATOM 455 CA THR A 32 0.015 9.970 -5.527 1.00 54.43 C ATOM 456 C THR A 32 -1.189 9.285 -4.890 1.00 41.32 C ATOM 457 O THR A 32 -2.205 9.058 -5.547 1.00 31.33 O ATOM 458 CB THR A 32 0.669 9.004 -6.532 1.00 72.34 C ATOM 459 OG1 THR A 32 1.972 9.477 -6.890 1.00 60.02 O ATOM 460 CG2 THR A 32 -0.186 8.863 -7.783 1.00 12.02 C ATOM 0 H THR A 32 1.853 9.904 -4.523 1.00 32.02 H new ATOM 0 HA THR A 32 -0.317 10.863 -6.056 1.00 54.43 H new ATOM 0 HB THR A 32 0.755 8.026 -6.058 1.00 72.34 H new ATOM 0 HG1 THR A 32 2.579 9.371 -6.128 1.00 60.02 H new ATOM 0 HG21 THR A 32 0.297 8.176 -8.478 1.00 12.02 H new ATOM 0 HG22 THR A 32 -1.167 8.474 -7.511 1.00 12.02 H new ATOM 0 HG23 THR A 32 -0.300 9.838 -8.257 1.00 12.02 H new ATOM 468 N ASP A 33 -1.068 8.959 -3.608 1.00 41.41 N ATOM 469 CA ASP A 33 -2.147 8.301 -2.881 1.00 55.33 C ATOM 470 C ASP A 33 -3.092 9.328 -2.264 1.00 41.11 C ATOM 471 O ASP A 33 -3.891 9.003 -1.387 1.00 63.30 O ATOM 472 CB ASP A 33 -1.577 7.394 -1.790 1.00 73.21 C ATOM 473 CG ASP A 33 -2.589 6.381 -1.293 1.00 33.54 C ATOM 474 OD1 ASP A 33 -3.478 5.995 -2.080 1.00 33.21 O ATOM 475 OD2 ASP A 33 -2.493 5.974 -0.116 1.00 22.15 O ATOM 0 H ASP A 33 -0.233 9.140 -3.051 1.00 41.41 H new ATOM 0 HA ASP A 33 -2.711 7.694 -3.589 1.00 55.33 H new ATOM 0 HB2 ASP A 33 -0.703 6.870 -2.177 1.00 73.21 H new ATOM 0 HB3 ASP A 33 -1.238 8.005 -0.954 1.00 73.21 H new ATOM 480 N ASN A 34 -2.993 10.570 -2.728 1.00 72.44 N ATOM 481 CA ASN A 34 -3.838 11.645 -2.221 1.00 23.23 C ATOM 482 C ASN A 34 -3.562 11.901 -0.742 1.00 72.11 C ATOM 483 O ASN A 34 -4.353 12.549 -0.056 1.00 23.41 O ATOM 484 CB ASN A 34 -5.315 11.301 -2.424 1.00 24.43 C ATOM 485 CG ASN A 34 -5.572 10.619 -3.754 1.00 1.22 C ATOM 486 OD1 ASN A 34 -5.041 11.028 -4.786 1.00 64.04 O ATOM 487 ND2 ASN A 34 -6.391 9.574 -3.734 1.00 40.13 N ATOM 0 H ASN A 34 -2.336 10.856 -3.454 1.00 72.44 H new ATOM 0 HA ASN A 34 -3.604 12.552 -2.779 1.00 23.23 H new ATOM 0 HB2 ASN A 34 -5.648 10.651 -1.615 1.00 24.43 H new ATOM 0 HB3 ASN A 34 -5.909 12.213 -2.366 1.00 24.43 H new ATOM 0 HD21 ASN A 34 -6.602 9.075 -4.598 1.00 40.13 H new ATOM 0 HD22 ASN A 34 -6.809 9.270 -2.854 1.00 40.13 H new ATOM 494 N SER A 35 -2.435 11.388 -0.258 1.00 52.43 N ATOM 495 CA SER A 35 -2.056 11.559 1.140 1.00 74.45 C ATOM 496 C SER A 35 -0.862 12.500 1.268 1.00 35.31 C ATOM 497 O SER A 35 0.287 12.084 1.128 1.00 51.30 O ATOM 498 CB SER A 35 -1.723 10.204 1.768 1.00 44.21 C ATOM 499 OG SER A 35 -2.793 9.737 2.570 1.00 20.43 O ATOM 0 H SER A 35 -1.769 10.851 -0.813 1.00 52.43 H new ATOM 0 HA SER A 35 -2.901 11.999 1.670 1.00 74.45 H new ATOM 0 HB2 SER A 35 -1.509 9.479 0.983 1.00 44.21 H new ATOM 0 HB3 SER A 35 -0.822 10.292 2.374 1.00 44.21 H new ATOM 0 HG SER A 35 -2.556 8.869 2.958 1.00 20.43 H new ATOM 505 N ASN A 36 -1.145 13.771 1.536 1.00 60.43 N ATOM 506 CA ASN A 36 -0.095 14.772 1.683 1.00 52.21 C ATOM 507 C ASN A 36 0.321 14.914 3.144 1.00 71.41 C ATOM 508 O ASN A 36 -0.511 14.833 4.048 1.00 70.35 O ATOM 509 CB ASN A 36 -0.571 16.123 1.143 1.00 21.35 C ATOM 510 CG ASN A 36 -1.479 15.976 -0.062 1.00 53.30 C ATOM 511 OD1 ASN A 36 -1.313 15.063 -0.871 1.00 50.52 O ATOM 512 ND2 ASN A 36 -2.446 16.878 -0.187 1.00 33.21 N ATOM 0 H ASN A 36 -2.092 14.131 1.656 1.00 60.43 H new ATOM 0 HA ASN A 36 0.770 14.442 1.108 1.00 52.21 H new ATOM 0 HB2 ASN A 36 -1.100 16.660 1.930 1.00 21.35 H new ATOM 0 HB3 ASN A 36 0.294 16.728 0.871 1.00 21.35 H new ATOM 0 HD21 ASN A 36 -3.088 16.831 -0.978 1.00 33.21 H new ATOM 0 HD22 ASN A 36 -2.546 17.618 0.508 1.00 33.21 H new ATOM 519 N SER A 37 1.614 15.126 3.367 1.00 31.24 N ATOM 520 CA SER A 37 2.142 15.275 4.719 1.00 54.45 C ATOM 521 C SER A 37 3.096 16.462 4.800 1.00 4.54 C ATOM 522 O SER A 37 3.628 16.916 3.787 1.00 5.32 O ATOM 523 CB SER A 37 2.861 13.997 5.152 1.00 20.23 C ATOM 524 OG SER A 37 1.937 13.011 5.579 1.00 14.22 O ATOM 0 H SER A 37 2.315 15.198 2.630 1.00 31.24 H new ATOM 0 HA SER A 37 1.305 15.457 5.393 1.00 54.45 H new ATOM 0 HB2 SER A 37 3.453 13.610 4.322 1.00 20.23 H new ATOM 0 HB3 SER A 37 3.556 14.223 5.961 1.00 20.23 H new ATOM 0 HG SER A 37 2.422 12.203 5.849 1.00 14.22 H new ATOM 530 N ASP A 38 3.308 16.960 6.014 1.00 43.44 N ATOM 531 CA ASP A 38 4.200 18.094 6.230 1.00 54.21 C ATOM 532 C ASP A 38 5.643 17.628 6.388 1.00 65.11 C ATOM 533 O ASP A 38 5.940 16.766 7.216 1.00 44.22 O ATOM 534 CB ASP A 38 3.767 18.882 7.467 1.00 34.13 C ATOM 535 CG ASP A 38 4.860 19.796 7.984 1.00 64.30 C ATOM 536 OD1 ASP A 38 5.352 20.634 7.200 1.00 22.20 O ATOM 537 OD2 ASP A 38 5.225 19.672 9.172 1.00 2.12 O ATOM 0 H ASP A 38 2.875 16.596 6.863 1.00 43.44 H new ATOM 0 HA ASP A 38 4.141 18.743 5.356 1.00 54.21 H new ATOM 0 HB2 ASP A 38 2.885 19.476 7.226 1.00 34.13 H new ATOM 0 HB3 ASP A 38 3.477 18.186 8.254 1.00 34.13 H new ATOM 542 N ILE A 39 6.536 18.202 5.588 1.00 1.15 N ATOM 543 CA ILE A 39 7.948 17.845 5.640 1.00 3.11 C ATOM 544 C ILE A 39 8.129 16.349 5.871 1.00 30.41 C ATOM 545 O ILE A 39 8.989 15.927 6.646 1.00 51.44 O ATOM 546 CB ILE A 39 8.684 18.617 6.751 1.00 11.13 C ATOM 547 CG1 ILE A 39 8.084 18.282 8.118 1.00 31.03 C ATOM 548 CG2 ILE A 39 8.616 20.114 6.490 1.00 44.32 C ATOM 549 CD1 ILE A 39 8.841 18.893 9.277 1.00 61.33 C ATOM 0 H ILE A 39 6.306 18.916 4.897 1.00 1.15 H new ATOM 0 HA ILE A 39 8.377 18.116 4.675 1.00 3.11 H new ATOM 0 HB ILE A 39 9.731 18.315 6.750 1.00 11.13 H new ATOM 0 HG12 ILE A 39 7.051 18.628 8.147 1.00 31.03 H new ATOM 0 HG13 ILE A 39 8.061 17.199 8.240 1.00 31.03 H new ATOM 0 HG21 ILE A 39 9.141 20.646 7.284 1.00 44.32 H new ATOM 0 HG22 ILE A 39 9.085 20.338 5.532 1.00 44.32 H new ATOM 0 HG23 ILE A 39 7.574 20.432 6.467 1.00 44.32 H new ATOM 0 HD11 ILE A 39 8.359 18.614 10.214 1.00 61.33 H new ATOM 0 HD12 ILE A 39 9.868 18.528 9.274 1.00 61.33 H new ATOM 0 HD13 ILE A 39 8.842 19.979 9.179 1.00 61.33 H new ATOM 561 N THR A 40 7.313 15.548 5.192 1.00 22.34 N ATOM 562 CA THR A 40 7.383 14.098 5.323 1.00 73.25 C ATOM 563 C THR A 40 8.792 13.588 5.046 1.00 64.13 C ATOM 564 O THR A 40 9.290 12.703 5.742 1.00 64.24 O ATOM 565 CB THR A 40 6.399 13.400 4.364 1.00 22.03 C ATOM 566 OG1 THR A 40 6.578 11.981 4.427 1.00 62.43 O ATOM 567 CG2 THR A 40 6.604 13.880 2.935 1.00 32.42 C ATOM 0 H THR A 40 6.596 15.879 4.546 1.00 22.34 H new ATOM 0 HA THR A 40 7.109 13.860 6.351 1.00 73.25 H new ATOM 0 HB THR A 40 5.384 13.652 4.672 1.00 22.03 H new ATOM 0 HG1 THR A 40 5.948 11.544 3.816 1.00 62.43 H new ATOM 0 HG21 THR A 40 5.898 13.374 2.276 1.00 32.42 H new ATOM 0 HG22 THR A 40 6.438 14.956 2.885 1.00 32.42 H new ATOM 0 HG23 THR A 40 7.622 13.655 2.618 1.00 32.42 H new ATOM 575 N ASP A 41 9.431 14.152 4.026 1.00 32.05 N ATOM 576 CA ASP A 41 10.785 13.755 3.659 1.00 41.33 C ATOM 577 C ASP A 41 11.817 14.636 4.356 1.00 25.42 C ATOM 578 O ASP A 41 13.014 14.541 4.082 1.00 35.23 O ATOM 579 CB ASP A 41 10.969 13.836 2.142 1.00 20.35 C ATOM 580 CG ASP A 41 11.560 12.566 1.563 1.00 60.42 C ATOM 581 OD1 ASP A 41 12.802 12.437 1.561 1.00 71.30 O ATOM 582 OD2 ASP A 41 10.781 11.701 1.110 1.00 34.12 O ATOM 0 H ASP A 41 9.033 14.885 3.439 1.00 32.05 H new ATOM 0 HA ASP A 41 10.936 12.725 3.982 1.00 41.33 H new ATOM 0 HB2 ASP A 41 10.005 14.032 1.672 1.00 20.35 H new ATOM 0 HB3 ASP A 41 11.618 14.678 1.902 1.00 20.35 H new ATOM 587 N GLN A 42 11.346 15.491 5.257 1.00 10.42 N ATOM 588 CA GLN A 42 12.229 16.390 5.992 1.00 33.41 C ATOM 589 C GLN A 42 12.944 17.346 5.044 1.00 41.12 C ATOM 590 O GLN A 42 14.149 17.229 4.819 1.00 72.30 O ATOM 591 CB GLN A 42 13.254 15.587 6.795 1.00 12.22 C ATOM 592 CG GLN A 42 12.858 15.376 8.248 1.00 63.23 C ATOM 593 CD GLN A 42 11.374 15.115 8.416 1.00 5.15 C ATOM 594 OE1 GLN A 42 10.897 14.004 8.183 1.00 40.55 O ATOM 595 NE2 GLN A 42 10.636 16.140 8.825 1.00 53.10 N ATOM 0 H GLN A 42 10.358 15.581 5.496 1.00 10.42 H new ATOM 0 HA GLN A 42 11.619 16.977 6.678 1.00 33.41 H new ATOM 0 HB2 GLN A 42 13.395 14.616 6.321 1.00 12.22 H new ATOM 0 HB3 GLN A 42 14.214 16.101 6.760 1.00 12.22 H new ATOM 0 HG2 GLN A 42 13.419 14.535 8.655 1.00 63.23 H new ATOM 0 HG3 GLN A 42 13.136 16.256 8.828 1.00 63.23 H new ATOM 0 HE21 GLN A 42 11.074 17.043 9.006 1.00 53.10 H new ATOM 0 HE22 GLN A 42 9.631 16.024 8.958 1.00 53.10 H new ATOM 604 N VAL A 43 12.194 18.293 4.489 1.00 0.22 N ATOM 605 CA VAL A 43 12.757 19.271 3.565 1.00 35.14 C ATOM 606 C VAL A 43 13.990 19.942 4.159 1.00 21.31 C ATOM 607 O VAL A 43 13.894 20.707 5.119 1.00 54.20 O ATOM 608 CB VAL A 43 11.725 20.353 3.197 1.00 55.15 C ATOM 609 CG1 VAL A 43 11.122 20.966 4.451 1.00 13.13 C ATOM 610 CG2 VAL A 43 12.364 21.423 2.325 1.00 51.33 C ATOM 0 H VAL A 43 11.195 18.404 4.663 1.00 0.22 H new ATOM 0 HA VAL A 43 13.041 18.728 2.664 1.00 35.14 H new ATOM 0 HB VAL A 43 10.921 19.885 2.629 1.00 55.15 H new ATOM 0 HG11 VAL A 43 10.395 21.728 4.170 1.00 13.13 H new ATOM 0 HG12 VAL A 43 10.626 20.189 5.034 1.00 13.13 H new ATOM 0 HG13 VAL A 43 11.911 21.420 5.050 1.00 13.13 H new ATOM 0 HG21 VAL A 43 11.621 22.180 2.074 1.00 51.33 H new ATOM 0 HG22 VAL A 43 13.188 21.889 2.866 1.00 51.33 H new ATOM 0 HG23 VAL A 43 12.742 20.968 1.409 1.00 51.33 H new ATOM 620 N THR A 44 15.151 19.650 3.581 1.00 5.05 N ATOM 621 CA THR A 44 16.405 20.224 4.053 1.00 2.13 C ATOM 622 C THR A 44 16.801 21.438 3.221 1.00 5.43 C ATOM 623 O THR A 44 16.878 21.364 1.995 1.00 60.21 O ATOM 624 CB THR A 44 17.547 19.191 4.010 1.00 44.50 C ATOM 625 OG1 THR A 44 17.152 17.994 4.689 1.00 55.42 O ATOM 626 CG2 THR A 44 18.808 19.751 4.652 1.00 52.41 C ATOM 0 H THR A 44 15.249 19.019 2.785 1.00 5.05 H new ATOM 0 HA THR A 44 16.243 20.532 5.086 1.00 2.13 H new ATOM 0 HB THR A 44 17.760 18.962 2.966 1.00 44.50 H new ATOM 0 HG1 THR A 44 17.883 17.342 4.655 1.00 55.42 H new ATOM 0 HG21 THR A 44 19.600 19.004 4.610 1.00 52.41 H new ATOM 0 HG22 THR A 44 19.124 20.645 4.115 1.00 52.41 H new ATOM 0 HG23 THR A 44 18.604 20.006 5.692 1.00 52.41 H new ATOM 634 N TRP A 45 17.053 22.555 3.895 1.00 32.33 N ATOM 635 CA TRP A 45 17.442 23.786 3.217 1.00 63.32 C ATOM 636 C TRP A 45 18.840 24.223 3.642 1.00 34.10 C ATOM 637 O TRP A 45 19.148 24.277 4.833 1.00 73.22 O ATOM 638 CB TRP A 45 16.434 24.897 3.514 1.00 62.00 C ATOM 639 CG TRP A 45 15.633 24.655 4.757 1.00 75.10 C ATOM 640 CD1 TRP A 45 16.109 24.558 6.033 1.00 35.13 C ATOM 641 CD2 TRP A 45 14.214 24.477 4.841 1.00 43.30 C ATOM 642 NE1 TRP A 45 15.072 24.331 6.906 1.00 74.32 N ATOM 643 CE2 TRP A 45 13.899 24.278 6.199 1.00 22.14 C ATOM 644 CE3 TRP A 45 13.180 24.469 3.902 1.00 52.45 C ATOM 645 CZ2 TRP A 45 12.594 24.072 6.638 1.00 51.11 C ATOM 646 CZ3 TRP A 45 11.885 24.265 4.338 1.00 31.34 C ATOM 647 CH2 TRP A 45 11.601 24.069 5.696 1.00 12.15 C ATOM 0 H TRP A 45 16.995 22.633 4.910 1.00 32.33 H new ATOM 0 HA TRP A 45 17.453 23.593 2.144 1.00 63.32 H new ATOM 0 HB2 TRP A 45 16.966 25.844 3.611 1.00 62.00 H new ATOM 0 HB3 TRP A 45 15.755 24.998 2.667 1.00 62.00 H new ATOM 0 HD1 TRP A 45 17.148 24.647 6.315 1.00 35.13 H new ATOM 0 HE1 TRP A 45 15.161 24.220 7.916 1.00 74.32 H new ATOM 0 HE3 TRP A 45 13.389 24.620 2.853 1.00 52.45 H new ATOM 0 HZ2 TRP A 45 12.373 23.920 7.684 1.00 51.11 H new ATOM 0 HZ3 TRP A 45 11.078 24.256 3.620 1.00 31.34 H new ATOM 0 HH2 TRP A 45 10.578 23.912 6.006 1.00 12.15 H new ATOM 658 N ASP A 46 19.681 24.534 2.662 1.00 1.24 N ATOM 659 CA ASP A 46 21.046 24.968 2.936 1.00 2.30 C ATOM 660 C ASP A 46 21.261 26.407 2.477 1.00 0.34 C ATOM 661 O ASP A 46 20.699 26.839 1.471 1.00 14.12 O ATOM 662 CB ASP A 46 22.047 24.044 2.241 1.00 30.43 C ATOM 663 CG ASP A 46 23.105 23.517 3.191 1.00 35.14 C ATOM 664 OD1 ASP A 46 23.977 24.309 3.607 1.00 74.30 O ATOM 665 OD2 ASP A 46 23.060 22.313 3.520 1.00 53.21 O ATOM 0 H ASP A 46 19.442 24.494 1.671 1.00 1.24 H new ATOM 0 HA ASP A 46 21.207 24.921 4.013 1.00 2.30 H new ATOM 0 HB2 ASP A 46 21.513 23.205 1.795 1.00 30.43 H new ATOM 0 HB3 ASP A 46 22.530 24.584 1.427 1.00 30.43 H new ATOM 670 N SER A 47 22.078 27.145 3.223 1.00 74.01 N ATOM 671 CA SER A 47 22.363 28.537 2.896 1.00 50.13 C ATOM 672 C SER A 47 23.811 28.704 2.446 1.00 24.51 C ATOM 673 O SER A 47 24.698 27.973 2.888 1.00 30.20 O ATOM 674 CB SER A 47 22.086 29.434 4.104 1.00 53.13 C ATOM 675 OG SER A 47 23.293 29.912 4.672 1.00 52.13 O ATOM 0 H SER A 47 22.554 26.802 4.057 1.00 74.01 H new ATOM 0 HA SER A 47 21.709 28.833 2.075 1.00 50.13 H new ATOM 0 HB2 SER A 47 21.465 30.277 3.800 1.00 53.13 H new ATOM 0 HB3 SER A 47 21.524 28.877 4.853 1.00 53.13 H new ATOM 0 HG SER A 47 23.853 29.153 4.937 1.00 52.13 H new ATOM 681 N SER A 48 24.043 29.671 1.564 1.00 21.51 N ATOM 682 CA SER A 48 25.383 29.932 1.051 1.00 73.24 C ATOM 683 C SER A 48 26.249 30.606 2.110 1.00 13.22 C ATOM 684 O SER A 48 27.457 30.384 2.174 1.00 71.44 O ATOM 685 CB SER A 48 25.310 30.810 -0.200 1.00 1.21 C ATOM 686 OG SER A 48 26.462 30.644 -1.008 1.00 24.33 O ATOM 0 H SER A 48 23.321 30.286 1.190 1.00 21.51 H new ATOM 0 HA SER A 48 25.838 28.977 0.790 1.00 73.24 H new ATOM 0 HB2 SER A 48 24.419 30.556 -0.775 1.00 1.21 H new ATOM 0 HB3 SER A 48 25.214 31.856 0.091 1.00 1.21 H new ATOM 0 HG SER A 48 26.390 31.215 -1.802 1.00 24.33 H new ATOM 692 N ASN A 49 25.621 31.432 2.941 1.00 54.23 N ATOM 693 CA ASN A 49 26.333 32.141 3.998 1.00 31.40 C ATOM 694 C ASN A 49 27.387 33.075 3.412 1.00 25.52 C ATOM 695 O ASN A 49 27.746 32.967 2.239 1.00 53.32 O ATOM 696 CB ASN A 49 26.992 31.144 4.954 1.00 42.14 C ATOM 697 CG ASN A 49 27.542 31.814 6.198 1.00 34.44 C ATOM 698 OD1 ASN A 49 27.064 32.871 6.610 1.00 30.23 O ATOM 699 ND2 ASN A 49 28.551 31.199 6.804 1.00 42.00 N ATOM 0 H ASN A 49 24.620 31.627 2.903 1.00 54.23 H new ATOM 0 HA ASN A 49 25.610 32.741 4.551 1.00 31.40 H new ATOM 0 HB2 ASN A 49 26.263 30.387 5.244 1.00 42.14 H new ATOM 0 HB3 ASN A 49 27.800 30.627 4.436 1.00 42.14 H new ATOM 0 HD21 ASN A 49 28.962 31.601 7.647 1.00 42.00 H new ATOM 0 HD22 ASN A 49 28.915 30.324 6.427 1.00 42.00 H new ATOM 706 N THR A 50 27.882 33.991 4.238 1.00 45.52 N ATOM 707 CA THR A 50 28.895 34.945 3.803 1.00 64.34 C ATOM 708 C THR A 50 29.985 35.109 4.856 1.00 14.14 C ATOM 709 O THR A 50 31.168 35.200 4.530 1.00 2.43 O ATOM 710 CB THR A 50 28.277 36.323 3.501 1.00 70.25 C ATOM 711 OG1 THR A 50 26.853 36.210 3.402 1.00 71.20 O ATOM 712 CG2 THR A 50 28.836 36.895 2.207 1.00 61.03 C ATOM 0 H THR A 50 27.598 34.093 5.212 1.00 45.52 H new ATOM 0 HA THR A 50 29.334 34.544 2.889 1.00 64.34 H new ATOM 0 HB THR A 50 28.532 36.998 4.318 1.00 70.25 H new ATOM 0 HG1 THR A 50 26.456 37.105 3.355 1.00 71.20 H new ATOM 0 HG21 THR A 50 28.385 37.868 2.015 1.00 61.03 H new ATOM 0 HG22 THR A 50 29.917 37.007 2.296 1.00 61.03 H new ATOM 0 HG23 THR A 50 28.608 36.220 1.382 1.00 61.03 H new ATOM 720 N ASP A 51 29.578 35.145 6.120 1.00 15.43 N ATOM 721 CA ASP A 51 30.520 35.297 7.223 1.00 72.00 C ATOM 722 C ASP A 51 30.162 34.364 8.376 1.00 40.13 C ATOM 723 O ASP A 51 31.039 33.758 8.992 1.00 43.13 O ATOM 724 CB ASP A 51 30.538 36.747 7.711 1.00 63.54 C ATOM 725 CG ASP A 51 31.664 37.014 8.690 1.00 64.32 C ATOM 726 OD1 ASP A 51 32.817 37.173 8.238 1.00 25.12 O ATOM 727 OD2 ASP A 51 31.393 37.063 9.908 1.00 73.30 O ATOM 0 H ASP A 51 28.602 35.071 6.406 1.00 15.43 H new ATOM 0 HA ASP A 51 31.513 35.032 6.859 1.00 72.00 H new ATOM 0 HB2 ASP A 51 30.639 37.414 6.855 1.00 63.54 H new ATOM 0 HB3 ASP A 51 29.585 36.979 8.186 1.00 63.54 H new ATOM 732 N ILE A 52 28.869 34.255 8.662 1.00 22.31 N ATOM 733 CA ILE A 52 28.396 33.396 9.741 1.00 62.14 C ATOM 734 C ILE A 52 26.898 33.137 9.620 1.00 22.14 C ATOM 735 O ILE A 52 26.087 34.058 9.726 1.00 22.15 O ATOM 736 CB ILE A 52 28.690 34.012 11.121 1.00 10.21 C ATOM 737 CG1 ILE A 52 27.989 33.212 12.221 1.00 52.12 C ATOM 738 CG2 ILE A 52 28.250 35.468 11.156 1.00 42.24 C ATOM 739 CD1 ILE A 52 28.336 31.740 12.212 1.00 63.11 C ATOM 0 H ILE A 52 28.131 34.750 8.162 1.00 22.31 H new ATOM 0 HA ILE A 52 28.934 32.452 9.652 1.00 62.14 H new ATOM 0 HB ILE A 52 29.765 33.973 11.298 1.00 10.21 H new ATOM 0 HG12 ILE A 52 28.254 33.634 13.191 1.00 52.12 H new ATOM 0 HG13 ILE A 52 26.911 33.323 12.109 1.00 52.12 H new ATOM 0 HG21 ILE A 52 28.464 35.889 12.138 1.00 42.24 H new ATOM 0 HG22 ILE A 52 28.790 36.030 10.394 1.00 42.24 H new ATOM 0 HG23 ILE A 52 27.179 35.529 10.961 1.00 42.24 H new ATOM 0 HD11 ILE A 52 27.803 31.236 13.018 1.00 63.11 H new ATOM 0 HD12 ILE A 52 28.045 31.304 11.256 1.00 63.11 H new ATOM 0 HD13 ILE A 52 29.410 31.618 12.355 1.00 63.11 H new ATOM 751 N LEU A 53 26.537 31.878 9.400 1.00 21.42 N ATOM 752 CA LEU A 53 25.135 31.496 9.267 1.00 24.34 C ATOM 753 C LEU A 53 24.920 30.052 9.709 1.00 63.41 C ATOM 754 O LEU A 53 25.763 29.187 9.470 1.00 22.11 O ATOM 755 CB LEU A 53 24.673 31.673 7.820 1.00 30.21 C ATOM 756 CG LEU A 53 23.173 31.509 7.570 1.00 44.52 C ATOM 757 CD1 LEU A 53 22.765 32.222 6.290 1.00 41.11 C ATOM 758 CD2 LEU A 53 22.801 30.035 7.504 1.00 42.52 C ATOM 0 H LEU A 53 27.195 31.104 9.310 1.00 21.42 H new ATOM 0 HA LEU A 53 24.544 32.146 9.912 1.00 24.34 H new ATOM 0 HB2 LEU A 53 24.971 32.666 7.483 1.00 30.21 H new ATOM 0 HB3 LEU A 53 25.206 30.953 7.199 1.00 30.21 H new ATOM 0 HG LEU A 53 22.633 31.962 8.402 1.00 44.52 H new ATOM 0 HD11 LEU A 53 21.695 32.095 6.128 1.00 41.11 H new ATOM 0 HD12 LEU A 53 22.995 33.284 6.376 1.00 41.11 H new ATOM 0 HD13 LEU A 53 23.312 31.799 5.448 1.00 41.11 H new ATOM 0 HD21 LEU A 53 21.730 29.938 7.326 1.00 42.52 H new ATOM 0 HD22 LEU A 53 23.349 29.557 6.692 1.00 42.52 H new ATOM 0 HD23 LEU A 53 23.057 29.553 8.447 1.00 42.52 H new ATOM 770 N SER A 54 23.785 29.798 10.352 1.00 23.33 N ATOM 771 CA SER A 54 23.460 28.458 10.829 1.00 53.45 C ATOM 772 C SER A 54 22.008 28.108 10.515 1.00 43.22 C ATOM 773 O SER A 54 21.119 28.955 10.611 1.00 24.00 O ATOM 774 CB SER A 54 23.707 28.356 12.335 1.00 72.22 C ATOM 775 OG SER A 54 24.577 27.279 12.637 1.00 73.43 O ATOM 0 H SER A 54 23.075 30.502 10.555 1.00 23.33 H new ATOM 0 HA SER A 54 24.107 27.748 10.314 1.00 53.45 H new ATOM 0 HB2 SER A 54 24.137 29.289 12.700 1.00 72.22 H new ATOM 0 HB3 SER A 54 22.758 28.218 12.854 1.00 72.22 H new ATOM 0 HG SER A 54 24.720 27.236 13.605 1.00 73.43 H new ATOM 781 N ILE A 55 21.777 26.855 10.139 1.00 33.12 N ATOM 782 CA ILE A 55 20.434 26.392 9.812 1.00 31.32 C ATOM 783 C ILE A 55 19.967 25.322 10.793 1.00 24.43 C ATOM 784 O ILE A 55 20.705 24.387 11.106 1.00 42.15 O ATOM 785 CB ILE A 55 20.367 25.825 8.382 1.00 54.03 C ATOM 786 CG1 ILE A 55 18.912 25.580 7.975 1.00 42.24 C ATOM 787 CG2 ILE A 55 21.174 24.539 8.283 1.00 54.11 C ATOM 788 CD1 ILE A 55 18.277 26.756 7.265 1.00 64.52 C ATOM 0 H ILE A 55 22.502 26.142 10.053 1.00 33.12 H new ATOM 0 HA ILE A 55 19.776 27.258 9.882 1.00 31.32 H new ATOM 0 HB ILE A 55 20.799 26.555 7.697 1.00 54.03 H new ATOM 0 HG12 ILE A 55 18.867 24.706 7.325 1.00 42.24 H new ATOM 0 HG13 ILE A 55 18.329 25.345 8.865 1.00 42.24 H new ATOM 0 HG21 ILE A 55 21.117 24.151 7.266 1.00 54.11 H new ATOM 0 HG22 ILE A 55 22.215 24.742 8.536 1.00 54.11 H new ATOM 0 HG23 ILE A 55 20.770 23.801 8.976 1.00 54.11 H new ATOM 0 HD11 ILE A 55 17.247 26.512 7.006 1.00 64.52 H new ATOM 0 HD12 ILE A 55 18.290 27.627 7.920 1.00 64.52 H new ATOM 0 HD13 ILE A 55 18.837 26.978 6.356 1.00 64.52 H new ATOM 800 N SER A 56 18.737 25.464 11.275 1.00 12.31 N ATOM 801 CA SER A 56 18.172 24.511 12.223 1.00 74.13 C ATOM 802 C SER A 56 16.853 23.945 11.703 1.00 65.00 C ATOM 803 O SER A 56 15.976 24.688 11.266 1.00 71.02 O ATOM 804 CB SER A 56 17.952 25.179 13.581 1.00 4.14 C ATOM 805 OG SER A 56 18.312 26.549 13.540 1.00 53.22 O ATOM 0 H SER A 56 18.112 26.230 11.025 1.00 12.31 H new ATOM 0 HA SER A 56 18.880 23.690 12.340 1.00 74.13 H new ATOM 0 HB2 SER A 56 16.906 25.083 13.872 1.00 4.14 H new ATOM 0 HB3 SER A 56 18.542 24.667 14.341 1.00 4.14 H new ATOM 0 HG SER A 56 18.160 26.954 14.420 1.00 53.22 H new ATOM 811 N ASN A 57 16.723 22.623 11.755 1.00 41.34 N ATOM 812 CA ASN A 57 15.513 21.956 11.289 1.00 72.03 C ATOM 813 C ASN A 57 15.413 20.546 11.864 1.00 43.33 C ATOM 814 O ASN A 57 15.197 19.581 11.132 1.00 33.43 O ATOM 815 CB ASN A 57 15.494 21.898 9.760 1.00 72.21 C ATOM 816 CG ASN A 57 14.148 21.460 9.215 1.00 41.13 C ATOM 817 OD1 ASN A 57 13.316 20.920 9.944 1.00 2.01 O ATOM 818 ND2 ASN A 57 13.928 21.692 7.926 1.00 65.43 N ATOM 0 H ASN A 57 17.440 21.993 12.115 1.00 41.34 H new ATOM 0 HA ASN A 57 14.655 22.532 11.635 1.00 72.03 H new ATOM 0 HB2 ASN A 57 15.743 22.880 9.359 1.00 72.21 H new ATOM 0 HB3 ASN A 57 16.264 21.208 9.416 1.00 72.21 H new ATOM 0 HD21 ASN A 57 13.041 21.420 7.503 1.00 65.43 H new ATOM 0 HD22 ASN A 57 14.646 22.142 7.359 1.00 65.43 H new ATOM 825 N ALA A 58 15.572 20.437 13.179 1.00 64.24 N ATOM 826 CA ALA A 58 15.498 19.146 13.852 1.00 11.43 C ATOM 827 C ALA A 58 15.114 19.314 15.318 1.00 33.04 C ATOM 828 O ALA A 58 15.347 18.425 16.137 1.00 62.43 O ATOM 829 CB ALA A 58 16.825 18.411 13.733 1.00 53.40 C ATOM 0 H ALA A 58 15.753 21.227 13.799 1.00 64.24 H new ATOM 0 HA ALA A 58 14.723 18.554 13.365 1.00 11.43 H new ATOM 0 HB1 ALA A 58 16.755 17.449 14.240 1.00 53.40 H new ATOM 0 HB2 ALA A 58 17.059 18.250 12.681 1.00 53.40 H new ATOM 0 HB3 ALA A 58 17.613 19.007 14.193 1.00 53.40 H new ATOM 835 N SER A 59 14.524 20.460 15.644 1.00 60.03 N ATOM 836 CA SER A 59 14.112 20.746 17.013 1.00 74.22 C ATOM 837 C SER A 59 12.795 20.047 17.341 1.00 44.33 C ATOM 838 O SER A 59 12.437 19.891 18.508 1.00 12.31 O ATOM 839 CB SER A 59 13.967 22.255 17.220 1.00 73.32 C ATOM 840 OG SER A 59 15.228 22.899 17.177 1.00 23.32 O ATOM 0 H SER A 59 14.321 21.206 14.978 1.00 60.03 H new ATOM 0 HA SER A 59 14.882 20.367 17.685 1.00 74.22 H new ATOM 0 HB2 SER A 59 13.317 22.670 16.450 1.00 73.32 H new ATOM 0 HB3 SER A 59 13.488 22.449 18.180 1.00 73.32 H new ATOM 0 HG SER A 59 15.108 23.862 17.310 1.00 23.32 H new ATOM 846 N ASP A 60 12.080 19.629 16.302 1.00 3.23 N ATOM 847 CA ASP A 60 10.804 18.946 16.478 1.00 11.21 C ATOM 848 C ASP A 60 10.177 18.611 15.129 1.00 75.04 C ATOM 849 O ASP A 60 9.498 17.594 14.984 1.00 40.22 O ATOM 850 CB ASP A 60 9.847 19.812 17.299 1.00 54.14 C ATOM 851 CG ASP A 60 9.380 19.120 18.564 1.00 20.21 C ATOM 852 OD1 ASP A 60 10.241 18.740 19.385 1.00 3.43 O ATOM 853 OD2 ASP A 60 8.154 18.958 18.734 1.00 54.23 O ATOM 0 H ASP A 60 12.362 19.751 15.330 1.00 3.23 H new ATOM 0 HA ASP A 60 10.989 18.015 17.014 1.00 11.21 H new ATOM 0 HB2 ASP A 60 10.342 20.747 17.562 1.00 54.14 H new ATOM 0 HB3 ASP A 60 8.981 20.070 16.689 1.00 54.14 H new ATOM 858 N SER A 61 10.407 19.473 14.144 1.00 42.41 N ATOM 859 CA SER A 61 9.861 19.271 12.807 1.00 15.42 C ATOM 860 C SER A 61 10.153 20.473 11.913 1.00 30.14 C ATOM 861 O SER A 61 11.020 20.416 11.041 1.00 22.10 O ATOM 862 CB SER A 61 8.351 19.032 12.881 1.00 23.12 C ATOM 863 OG SER A 61 7.795 19.639 14.034 1.00 15.12 O ATOM 0 H SER A 61 10.968 20.319 14.247 1.00 42.41 H new ATOM 0 HA SER A 61 10.341 18.393 12.374 1.00 15.42 H new ATOM 0 HB2 SER A 61 7.872 19.433 11.988 1.00 23.12 H new ATOM 0 HB3 SER A 61 8.149 17.961 12.897 1.00 23.12 H new ATOM 0 HG SER A 61 6.829 19.473 14.058 1.00 15.12 H new ATOM 869 N HIS A 62 9.423 21.561 12.137 1.00 35.33 N ATOM 870 CA HIS A 62 9.603 22.777 11.353 1.00 11.42 C ATOM 871 C HIS A 62 11.061 23.226 11.375 1.00 51.51 C ATOM 872 O HIS A 62 11.781 22.983 12.342 1.00 45.11 O ATOM 873 CB HIS A 62 8.705 23.893 11.890 1.00 65.12 C ATOM 874 CG HIS A 62 9.105 24.382 13.248 1.00 43.33 C ATOM 875 ND1 HIS A 62 9.091 25.715 13.602 1.00 72.13 N ATOM 876 CD2 HIS A 62 9.531 23.709 14.342 1.00 71.52 C ATOM 877 CE1 HIS A 62 9.492 25.840 14.854 1.00 31.22 C ATOM 878 NE2 HIS A 62 9.765 24.637 15.326 1.00 34.23 N ATOM 0 H HIS A 62 8.701 21.625 12.855 1.00 35.33 H new ATOM 0 HA HIS A 62 9.323 22.560 10.322 1.00 11.42 H new ATOM 0 HB2 HIS A 62 8.722 24.730 11.192 1.00 65.12 H new ATOM 0 HB3 HIS A 62 7.677 23.533 11.931 1.00 65.12 H new ATOM 0 HD2 HIS A 62 9.662 22.640 14.425 1.00 71.52 H new ATOM 0 HE1 HIS A 62 9.581 26.768 15.399 1.00 31.22 H new ATOM 0 HE2 HIS A 62 10.096 24.431 16.269 1.00 34.23 H new ATOM 886 N GLY A 63 11.489 23.883 10.301 1.00 41.21 N ATOM 887 CA GLY A 63 12.859 24.355 10.217 1.00 70.30 C ATOM 888 C GLY A 63 12.944 25.847 9.962 1.00 21.43 C ATOM 889 O GLY A 63 11.951 26.480 9.603 1.00 50.34 O ATOM 0 H GLY A 63 10.912 24.097 9.488 1.00 41.21 H new ATOM 0 HA2 GLY A 63 13.379 24.118 11.145 1.00 70.30 H new ATOM 0 HA3 GLY A 63 13.375 23.823 9.418 1.00 70.30 H new ATOM 893 N LEU A 64 14.132 26.410 10.150 1.00 2.33 N ATOM 894 CA LEU A 64 14.343 27.838 9.940 1.00 3.42 C ATOM 895 C LEU A 64 15.804 28.130 9.612 1.00 0.42 C ATOM 896 O LEU A 64 16.640 27.228 9.602 1.00 65.24 O ATOM 897 CB LEU A 64 13.921 28.625 11.182 1.00 34.34 C ATOM 898 CG LEU A 64 14.298 28.006 12.529 1.00 45.41 C ATOM 899 CD1 LEU A 64 13.391 26.829 12.849 1.00 15.23 C ATOM 900 CD2 LEU A 64 15.757 27.572 12.526 1.00 51.12 C ATOM 0 H LEU A 64 14.964 25.900 10.447 1.00 2.33 H new ATOM 0 HA LEU A 64 13.730 28.150 9.094 1.00 3.42 H new ATOM 0 HB2 LEU A 64 14.364 29.619 11.125 1.00 34.34 H new ATOM 0 HB3 LEU A 64 12.839 28.755 11.155 1.00 34.34 H new ATOM 0 HG LEU A 64 14.165 28.761 13.304 1.00 45.41 H new ATOM 0 HD11 LEU A 64 13.675 26.402 13.811 1.00 15.23 H new ATOM 0 HD12 LEU A 64 12.356 27.169 12.894 1.00 15.23 H new ATOM 0 HD13 LEU A 64 13.491 26.071 12.072 1.00 15.23 H new ATOM 0 HD21 LEU A 64 16.008 27.134 13.492 1.00 51.12 H new ATOM 0 HD22 LEU A 64 15.915 26.833 11.740 1.00 51.12 H new ATOM 0 HD23 LEU A 64 16.394 28.438 12.344 1.00 51.12 H new ATOM 912 N ALA A 65 16.104 29.398 9.347 1.00 33.30 N ATOM 913 CA ALA A 65 17.464 29.809 9.023 1.00 11.52 C ATOM 914 C ALA A 65 17.853 31.070 9.789 1.00 70.44 C ATOM 915 O ALA A 65 17.084 32.029 9.856 1.00 21.42 O ATOM 916 CB ALA A 65 17.604 30.035 7.525 1.00 5.01 C ATOM 0 H ALA A 65 15.423 30.158 9.351 1.00 33.30 H new ATOM 0 HA ALA A 65 18.141 29.009 9.323 1.00 11.52 H new ATOM 0 HB1 ALA A 65 18.625 30.342 7.297 1.00 5.01 H new ATOM 0 HB2 ALA A 65 17.376 29.110 6.995 1.00 5.01 H new ATOM 0 HB3 ALA A 65 16.912 30.815 7.208 1.00 5.01 H new ATOM 922 N SER A 66 19.051 31.061 10.365 1.00 71.55 N ATOM 923 CA SER A 66 19.540 32.202 11.129 1.00 21.44 C ATOM 924 C SER A 66 20.813 32.768 10.507 1.00 73.42 C ATOM 925 O SER A 66 21.869 32.135 10.539 1.00 51.12 O ATOM 926 CB SER A 66 19.806 31.794 12.580 1.00 70.02 C ATOM 927 OG SER A 66 20.291 32.889 13.337 1.00 42.44 O ATOM 0 H SER A 66 19.701 30.276 10.317 1.00 71.55 H new ATOM 0 HA SER A 66 18.773 32.976 11.111 1.00 21.44 H new ATOM 0 HB2 SER A 66 18.887 31.416 13.029 1.00 70.02 H new ATOM 0 HB3 SER A 66 20.531 30.981 12.605 1.00 70.02 H new ATOM 0 HG SER A 66 20.452 32.603 14.260 1.00 42.44 H new ATOM 933 N THR A 67 20.705 33.965 9.940 1.00 54.25 N ATOM 934 CA THR A 67 21.845 34.617 9.308 1.00 14.50 C ATOM 935 C THR A 67 22.544 35.563 10.278 1.00 31.21 C ATOM 936 O THR A 67 21.954 36.003 11.266 1.00 24.42 O ATOM 937 CB THR A 67 21.417 35.408 8.057 1.00 65.22 C ATOM 938 OG1 THR A 67 20.494 34.636 7.281 1.00 33.15 O ATOM 939 CG2 THR A 67 22.626 35.767 7.205 1.00 13.43 C ATOM 0 H THR A 67 19.839 34.503 9.905 1.00 54.25 H new ATOM 0 HA THR A 67 22.536 33.828 9.012 1.00 14.50 H new ATOM 0 HB THR A 67 20.935 36.329 8.384 1.00 65.22 H new ATOM 0 HG1 THR A 67 20.226 35.147 6.489 1.00 33.15 H new ATOM 0 HG21 THR A 67 22.300 36.325 6.327 1.00 13.43 H new ATOM 0 HG22 THR A 67 23.314 36.379 7.789 1.00 13.43 H new ATOM 0 HG23 THR A 67 23.131 34.855 6.888 1.00 13.43 H new ATOM 947 N LEU A 68 23.803 35.873 9.990 1.00 22.34 N ATOM 948 CA LEU A 68 24.584 36.768 10.838 1.00 74.22 C ATOM 949 C LEU A 68 25.700 37.436 10.042 1.00 61.34 C ATOM 950 O LEU A 68 26.717 37.843 10.601 1.00 20.34 O ATOM 951 CB LEU A 68 25.175 35.997 12.019 1.00 21.12 C ATOM 952 CG LEU A 68 24.181 35.540 13.088 1.00 43.31 C ATOM 953 CD1 LEU A 68 23.676 34.139 12.783 1.00 71.32 C ATOM 954 CD2 LEU A 68 24.821 35.590 14.468 1.00 64.15 C ATOM 0 H LEU A 68 24.305 35.518 9.176 1.00 22.34 H new ATOM 0 HA LEU A 68 23.918 37.544 11.216 1.00 74.22 H new ATOM 0 HB2 LEU A 68 25.691 35.118 11.632 1.00 21.12 H new ATOM 0 HB3 LEU A 68 25.928 36.624 12.496 1.00 21.12 H new ATOM 0 HG LEU A 68 23.330 36.221 13.080 1.00 43.31 H new ATOM 0 HD11 LEU A 68 22.970 33.831 13.554 1.00 71.32 H new ATOM 0 HD12 LEU A 68 23.179 34.135 11.813 1.00 71.32 H new ATOM 0 HD13 LEU A 68 24.517 33.446 12.763 1.00 71.32 H new ATOM 0 HD21 LEU A 68 24.099 35.262 15.216 1.00 64.15 H new ATOM 0 HD22 LEU A 68 25.691 34.933 14.490 1.00 64.15 H new ATOM 0 HD23 LEU A 68 25.132 36.611 14.688 1.00 64.15 H new ATOM 966 N ASN A 69 25.501 37.547 8.732 1.00 23.51 N ATOM 967 CA ASN A 69 26.491 38.167 7.859 1.00 71.03 C ATOM 968 C ASN A 69 25.910 39.395 7.165 1.00 51.15 C ATOM 969 O ASN A 69 24.722 39.689 7.295 1.00 40.13 O ATOM 970 CB ASN A 69 26.982 37.162 6.815 1.00 71.22 C ATOM 971 CG ASN A 69 25.840 36.485 6.082 1.00 52.24 C ATOM 972 OD1 ASN A 69 25.151 37.108 5.273 1.00 31.13 O ATOM 973 ND2 ASN A 69 25.634 35.204 6.362 1.00 72.43 N ATOM 0 H ASN A 69 24.664 37.216 8.252 1.00 23.51 H new ATOM 0 HA ASN A 69 27.334 38.483 8.474 1.00 71.03 H new ATOM 0 HB2 ASN A 69 27.620 37.673 6.094 1.00 71.22 H new ATOM 0 HB3 ASN A 69 27.596 36.405 7.304 1.00 71.22 H new ATOM 0 HD21 ASN A 69 24.880 34.696 5.900 1.00 72.43 H new ATOM 0 HD22 ASN A 69 26.230 34.728 7.039 1.00 72.43 H new ATOM 980 N GLN A 70 26.756 40.107 6.427 1.00 21.02 N ATOM 981 CA GLN A 70 26.326 41.303 5.713 1.00 42.13 C ATOM 982 C GLN A 70 26.526 41.141 4.209 1.00 21.44 C ATOM 983 O GLN A 70 27.242 41.918 3.581 1.00 43.54 O ATOM 984 CB GLN A 70 27.097 42.526 6.212 1.00 4.04 C ATOM 985 CG GLN A 70 28.595 42.293 6.335 1.00 75.10 C ATOM 986 CD GLN A 70 29.411 43.389 5.680 1.00 5.22 C ATOM 987 OE1 GLN A 70 29.264 44.568 6.005 1.00 74.30 O ATOM 988 NE2 GLN A 70 30.280 43.006 4.752 1.00 44.31 N ATOM 0 H GLN A 70 27.742 39.876 6.308 1.00 21.02 H new ATOM 0 HA GLN A 70 25.263 41.448 5.907 1.00 42.13 H new ATOM 0 HB2 GLN A 70 26.922 43.358 5.530 1.00 4.04 H new ATOM 0 HB3 GLN A 70 26.703 42.822 7.184 1.00 4.04 H new ATOM 0 HG2 GLN A 70 28.863 42.226 7.389 1.00 75.10 H new ATOM 0 HG3 GLN A 70 28.849 41.335 5.880 1.00 75.10 H new ATOM 0 HE21 GLN A 70 30.369 42.018 4.514 1.00 44.31 H new ATOM 0 HE22 GLN A 70 30.858 43.700 4.278 1.00 44.31 H new ATOM 997 N GLY A 71 25.888 40.123 3.639 1.00 53.21 N ATOM 998 CA GLY A 71 26.009 39.877 2.214 1.00 72.21 C ATOM 999 C GLY A 71 24.770 39.227 1.631 1.00 70.34 C ATOM 1000 O GLY A 71 23.659 39.452 2.109 1.00 62.12 O ATOM 0 H GLY A 71 25.290 39.465 4.138 1.00 53.21 H new ATOM 0 HA2 GLY A 71 26.197 40.820 1.700 1.00 72.21 H new ATOM 0 HA3 GLY A 71 26.872 39.237 2.031 1.00 72.21 H new ATOM 1004 N ASN A 72 24.961 38.419 0.593 1.00 74.43 N ATOM 1005 CA ASN A 72 23.849 37.735 -0.058 1.00 53.43 C ATOM 1006 C ASN A 72 23.904 36.233 0.204 1.00 45.50 C ATOM 1007 O ASN A 72 24.951 35.604 0.049 1.00 31.33 O ATOM 1008 CB ASN A 72 23.870 38.002 -1.565 1.00 5.53 C ATOM 1009 CG ASN A 72 25.128 38.727 -2.005 1.00 54.23 C ATOM 1010 OD1 ASN A 72 26.233 38.194 -1.903 1.00 53.40 O ATOM 1011 ND2 ASN A 72 24.964 39.949 -2.498 1.00 52.25 N ATOM 0 H ASN A 72 25.875 38.222 0.185 1.00 74.43 H new ATOM 0 HA ASN A 72 22.921 38.125 0.361 1.00 53.43 H new ATOM 0 HB2 ASN A 72 23.793 37.056 -2.100 1.00 5.53 H new ATOM 0 HB3 ASN A 72 22.997 38.595 -1.839 1.00 5.53 H new ATOM 0 HD21 ASN A 72 25.773 40.486 -2.811 1.00 52.25 H new ATOM 0 HD22 ASN A 72 24.029 40.351 -2.564 1.00 52.25 H new ATOM 1018 N VAL A 73 22.770 35.665 0.601 1.00 4.14 N ATOM 1019 CA VAL A 73 22.689 34.237 0.884 1.00 51.03 C ATOM 1020 C VAL A 73 21.680 33.553 -0.032 1.00 21.43 C ATOM 1021 O VAL A 73 20.600 34.084 -0.292 1.00 21.25 O ATOM 1022 CB VAL A 73 22.295 33.976 2.350 1.00 51.23 C ATOM 1023 CG1 VAL A 73 22.180 32.483 2.614 1.00 22.24 C ATOM 1024 CG2 VAL A 73 23.301 34.618 3.293 1.00 31.45 C ATOM 0 H VAL A 73 21.895 36.172 0.734 1.00 4.14 H new ATOM 0 HA VAL A 73 23.680 33.821 0.704 1.00 51.03 H new ATOM 0 HB VAL A 73 21.320 34.428 2.533 1.00 51.23 H new ATOM 0 HG11 VAL A 73 21.901 32.318 3.655 1.00 22.24 H new ATOM 0 HG12 VAL A 73 21.418 32.056 1.962 1.00 22.24 H new ATOM 0 HG13 VAL A 73 23.138 32.003 2.415 1.00 22.24 H new ATOM 0 HG21 VAL A 73 23.008 34.424 4.325 1.00 31.45 H new ATOM 0 HG22 VAL A 73 24.290 34.197 3.112 1.00 31.45 H new ATOM 0 HG23 VAL A 73 23.327 35.694 3.119 1.00 31.45 H new ATOM 1034 N LYS A 74 22.039 32.369 -0.518 1.00 53.44 N ATOM 1035 CA LYS A 74 21.165 31.609 -1.404 1.00 50.22 C ATOM 1036 C LYS A 74 20.480 30.474 -0.650 1.00 14.42 C ATOM 1037 O LYS A 74 21.133 29.537 -0.191 1.00 73.13 O ATOM 1038 CB LYS A 74 21.964 31.044 -2.581 1.00 1.22 C ATOM 1039 CG LYS A 74 21.134 30.835 -3.835 1.00 72.03 C ATOM 1040 CD LYS A 74 20.519 29.446 -3.872 1.00 20.11 C ATOM 1041 CE LYS A 74 21.570 28.378 -4.135 1.00 52.12 C ATOM 1042 NZ LYS A 74 21.327 27.666 -5.421 1.00 4.53 N ATOM 0 H LYS A 74 22.929 31.915 -0.313 1.00 53.44 H new ATOM 0 HA LYS A 74 20.398 32.284 -1.784 1.00 50.22 H new ATOM 0 HB2 LYS A 74 22.787 31.721 -2.809 1.00 1.22 H new ATOM 0 HB3 LYS A 74 22.406 30.093 -2.286 1.00 1.22 H new ATOM 0 HG2 LYS A 74 20.344 31.585 -3.879 1.00 72.03 H new ATOM 0 HG3 LYS A 74 21.760 30.980 -4.715 1.00 72.03 H new ATOM 0 HD2 LYS A 74 20.021 29.242 -2.924 1.00 20.11 H new ATOM 0 HD3 LYS A 74 19.755 29.406 -4.649 1.00 20.11 H new ATOM 0 HE2 LYS A 74 22.558 28.838 -4.155 1.00 52.12 H new ATOM 0 HE3 LYS A 74 21.570 27.659 -3.316 1.00 52.12 H new ATOM 0 HZ1 LYS A 74 21.651 26.681 -5.339 1.00 4.53 H new ATOM 0 HZ2 LYS A 74 20.310 27.679 -5.638 1.00 4.53 H new ATOM 0 HZ3 LYS A 74 21.851 28.140 -6.184 1.00 4.53 H new ATOM 1056 N VAL A 75 19.159 30.565 -0.526 1.00 22.21 N ATOM 1057 CA VAL A 75 18.385 29.544 0.171 1.00 41.25 C ATOM 1058 C VAL A 75 17.818 28.522 -0.808 1.00 33.12 C ATOM 1059 O VAL A 75 17.067 28.869 -1.720 1.00 71.34 O ATOM 1060 CB VAL A 75 17.228 30.168 0.973 1.00 32.11 C ATOM 1061 CG1 VAL A 75 16.406 29.085 1.655 1.00 72.44 C ATOM 1062 CG2 VAL A 75 17.762 31.163 1.992 1.00 41.44 C ATOM 0 H VAL A 75 18.603 31.335 -0.899 1.00 22.21 H new ATOM 0 HA VAL A 75 19.066 29.044 0.860 1.00 41.25 H new ATOM 0 HB VAL A 75 16.578 30.704 0.282 1.00 32.11 H new ATOM 0 HG11 VAL A 75 15.593 29.545 2.217 1.00 72.44 H new ATOM 0 HG12 VAL A 75 15.993 28.414 0.902 1.00 72.44 H new ATOM 0 HG13 VAL A 75 17.043 28.519 2.335 1.00 72.44 H new ATOM 0 HG21 VAL A 75 16.931 31.594 2.550 1.00 41.44 H new ATOM 0 HG22 VAL A 75 18.435 30.653 2.681 1.00 41.44 H new ATOM 0 HG23 VAL A 75 18.304 31.956 1.477 1.00 41.44 H new ATOM 1072 N THR A 76 18.181 27.258 -0.612 1.00 11.13 N ATOM 1073 CA THR A 76 17.709 26.184 -1.477 1.00 11.34 C ATOM 1074 C THR A 76 17.435 24.915 -0.678 1.00 12.22 C ATOM 1075 O THR A 76 18.244 24.507 0.154 1.00 4.33 O ATOM 1076 CB THR A 76 18.729 25.868 -2.587 1.00 55.11 C ATOM 1077 OG1 THR A 76 20.025 26.348 -2.213 1.00 53.42 O ATOM 1078 CG2 THR A 76 18.308 26.502 -3.904 1.00 72.14 C ATOM 0 H THR A 76 18.801 26.953 0.139 1.00 11.13 H new ATOM 0 HA THR A 76 16.782 26.530 -1.934 1.00 11.34 H new ATOM 0 HB THR A 76 18.767 24.787 -2.718 1.00 55.11 H new ATOM 0 HG1 THR A 76 20.713 25.818 -2.666 1.00 53.42 H new ATOM 0 HG21 THR A 76 19.043 26.265 -4.673 1.00 72.14 H new ATOM 0 HG22 THR A 76 17.334 26.112 -4.201 1.00 72.14 H new ATOM 0 HG23 THR A 76 18.244 27.583 -3.783 1.00 72.14 H new ATOM 1086 N ALA A 77 16.289 24.294 -0.937 1.00 15.51 N ATOM 1087 CA ALA A 77 15.909 23.070 -0.244 1.00 24.34 C ATOM 1088 C ALA A 77 15.300 22.059 -1.209 1.00 34.23 C ATOM 1089 O ALA A 77 14.943 22.400 -2.337 1.00 22.25 O ATOM 1090 CB ALA A 77 14.935 23.381 0.883 1.00 61.11 C ATOM 0 H ALA A 77 15.607 24.619 -1.622 1.00 15.51 H new ATOM 0 HA ALA A 77 16.810 22.629 0.182 1.00 24.34 H new ATOM 0 HB1 ALA A 77 14.660 22.457 1.392 1.00 61.11 H new ATOM 0 HB2 ALA A 77 15.406 24.060 1.594 1.00 61.11 H new ATOM 0 HB3 ALA A 77 14.040 23.849 0.472 1.00 61.11 H new ATOM 1096 N SER A 78 15.183 20.814 -0.759 1.00 22.53 N ATOM 1097 CA SER A 78 14.621 19.752 -1.585 1.00 34.44 C ATOM 1098 C SER A 78 13.889 18.725 -0.725 1.00 60.14 C ATOM 1099 O SER A 78 14.385 18.311 0.323 1.00 14.12 O ATOM 1100 CB SER A 78 15.724 19.065 -2.391 1.00 64.21 C ATOM 1101 OG SER A 78 15.553 19.285 -3.781 1.00 31.25 O ATOM 0 H SER A 78 15.470 20.516 0.173 1.00 22.53 H new ATOM 0 HA SER A 78 13.905 20.201 -2.273 1.00 34.44 H new ATOM 0 HB2 SER A 78 16.697 19.443 -2.077 1.00 64.21 H new ATOM 0 HB3 SER A 78 15.716 17.995 -2.185 1.00 64.21 H new ATOM 0 HG SER A 78 16.272 18.837 -4.274 1.00 31.25 H new ATOM 1107 N ILE A 79 12.708 18.319 -1.178 1.00 35.45 N ATOM 1108 CA ILE A 79 11.908 17.340 -0.452 1.00 33.14 C ATOM 1109 C ILE A 79 11.247 16.352 -1.407 1.00 64.12 C ATOM 1110 O ILE A 79 10.475 16.740 -2.282 1.00 52.43 O ATOM 1111 CB ILE A 79 10.819 18.021 0.398 1.00 55.54 C ATOM 1112 CG1 ILE A 79 9.862 16.976 0.975 1.00 64.31 C ATOM 1113 CG2 ILE A 79 10.057 19.040 -0.437 1.00 13.43 C ATOM 1114 CD1 ILE A 79 9.542 17.192 2.437 1.00 23.44 C ATOM 0 H ILE A 79 12.284 18.652 -2.044 1.00 35.45 H new ATOM 0 HA ILE A 79 12.590 16.803 0.208 1.00 33.14 H new ATOM 0 HB ILE A 79 11.299 18.543 1.226 1.00 55.54 H new ATOM 0 HG12 ILE A 79 8.934 16.989 0.403 1.00 64.31 H new ATOM 0 HG13 ILE A 79 10.300 15.986 0.850 1.00 64.31 H new ATOM 0 HG21 ILE A 79 9.291 19.513 0.177 1.00 13.43 H new ATOM 0 HG22 ILE A 79 10.748 19.799 -0.804 1.00 13.43 H new ATOM 0 HG23 ILE A 79 9.586 18.538 -1.282 1.00 13.43 H new ATOM 0 HD11 ILE A 79 8.859 16.415 2.779 1.00 23.44 H new ATOM 0 HD12 ILE A 79 10.461 17.149 3.021 1.00 23.44 H new ATOM 0 HD13 ILE A 79 9.075 18.168 2.567 1.00 23.44 H new ATOM 1126 N GLY A 80 11.556 15.071 -1.232 1.00 24.41 N ATOM 1127 CA GLY A 80 10.983 14.046 -2.085 1.00 21.12 C ATOM 1128 C GLY A 80 11.476 14.139 -3.515 1.00 43.41 C ATOM 1129 O GLY A 80 12.582 13.699 -3.828 1.00 54.11 O ATOM 0 H GLY A 80 12.193 14.725 -0.515 1.00 24.41 H new ATOM 0 HA2 GLY A 80 11.229 13.063 -1.682 1.00 21.12 H new ATOM 0 HA3 GLY A 80 9.897 14.133 -2.072 1.00 21.12 H new ATOM 1133 N GLY A 81 10.653 14.714 -4.387 1.00 61.22 N ATOM 1134 CA GLY A 81 11.029 14.851 -5.782 1.00 54.42 C ATOM 1135 C GLY A 81 11.190 16.300 -6.199 1.00 73.21 C ATOM 1136 O GLY A 81 12.247 16.698 -6.688 1.00 63.34 O ATOM 0 H GLY A 81 9.733 15.087 -4.152 1.00 61.22 H new ATOM 0 HA2 GLY A 81 11.964 14.320 -5.957 1.00 54.42 H new ATOM 0 HA3 GLY A 81 10.272 14.378 -6.407 1.00 54.42 H new ATOM 1140 N ILE A 82 10.138 17.089 -6.007 1.00 5.50 N ATOM 1141 CA ILE A 82 10.168 18.502 -6.367 1.00 64.53 C ATOM 1142 C ILE A 82 11.085 19.287 -5.436 1.00 12.34 C ATOM 1143 O ILE A 82 11.286 18.908 -4.282 1.00 72.24 O ATOM 1144 CB ILE A 82 8.760 19.123 -6.328 1.00 33.35 C ATOM 1145 CG1 ILE A 82 7.768 18.240 -7.088 1.00 52.32 C ATOM 1146 CG2 ILE A 82 8.783 20.527 -6.912 1.00 5.35 C ATOM 1147 CD1 ILE A 82 8.069 18.128 -8.566 1.00 41.13 C ATOM 0 H ILE A 82 9.255 16.774 -5.605 1.00 5.50 H new ATOM 0 HA ILE A 82 10.553 18.560 -7.385 1.00 64.53 H new ATOM 0 HB ILE A 82 8.437 19.189 -5.289 1.00 33.35 H new ATOM 0 HG12 ILE A 82 7.771 17.243 -6.648 1.00 52.32 H new ATOM 0 HG13 ILE A 82 6.763 18.642 -6.959 1.00 52.32 H new ATOM 0 HG21 ILE A 82 7.780 20.952 -6.877 1.00 5.35 H new ATOM 0 HG22 ILE A 82 9.462 21.151 -6.332 1.00 5.35 H new ATOM 0 HG23 ILE A 82 9.123 20.485 -7.947 1.00 5.35 H new ATOM 0 HD11 ILE A 82 7.326 17.487 -9.041 1.00 41.13 H new ATOM 0 HD12 ILE A 82 8.038 19.119 -9.020 1.00 41.13 H new ATOM 0 HD13 ILE A 82 9.061 17.697 -8.704 1.00 41.13 H new ATOM 1159 N GLN A 83 11.636 20.385 -5.944 1.00 20.22 N ATOM 1160 CA GLN A 83 12.530 21.225 -5.156 1.00 63.11 C ATOM 1161 C GLN A 83 12.203 22.702 -5.352 1.00 62.40 C ATOM 1162 O GLN A 83 11.530 23.077 -6.311 1.00 33.42 O ATOM 1163 CB GLN A 83 13.986 20.957 -5.541 1.00 4.40 C ATOM 1164 CG GLN A 83 14.380 21.553 -6.883 1.00 2.00 C ATOM 1165 CD GLN A 83 15.790 21.179 -7.296 1.00 70.04 C ATOM 1166 OE1 GLN A 83 16.642 22.046 -7.494 1.00 71.20 O ATOM 1167 NE2 GLN A 83 16.044 19.882 -7.429 1.00 51.43 N ATOM 0 H GLN A 83 11.479 20.713 -6.897 1.00 20.22 H new ATOM 0 HA GLN A 83 12.388 20.977 -4.104 1.00 63.11 H new ATOM 0 HB2 GLN A 83 14.638 21.362 -4.767 1.00 4.40 H new ATOM 0 HB3 GLN A 83 14.154 19.880 -5.568 1.00 4.40 H new ATOM 0 HG2 GLN A 83 13.680 21.214 -7.646 1.00 2.00 H new ATOM 0 HG3 GLN A 83 14.296 22.639 -6.833 1.00 2.00 H new ATOM 0 HE21 GLN A 83 15.308 19.198 -7.255 1.00 51.43 H new ATOM 0 HE22 GLN A 83 16.975 19.570 -7.705 1.00 51.43 H new ATOM 1176 N GLY A 84 12.685 23.536 -4.436 1.00 0.22 N ATOM 1177 CA GLY A 84 12.433 24.962 -4.526 1.00 12.51 C ATOM 1178 C GLY A 84 13.677 25.789 -4.266 1.00 34.25 C ATOM 1179 O GLY A 84 14.680 25.274 -3.771 1.00 15.42 O ATOM 0 H GLY A 84 13.245 23.250 -3.633 1.00 0.22 H new ATOM 0 HA2 GLY A 84 12.045 25.197 -5.517 1.00 12.51 H new ATOM 0 HA3 GLY A 84 11.661 25.237 -3.808 1.00 12.51 H new ATOM 1183 N SER A 85 13.613 27.073 -4.601 1.00 13.42 N ATOM 1184 CA SER A 85 14.745 27.972 -4.405 1.00 73.44 C ATOM 1185 C SER A 85 14.272 29.355 -3.970 1.00 15.13 C ATOM 1186 O SER A 85 13.166 29.781 -4.305 1.00 34.22 O ATOM 1187 CB SER A 85 15.563 28.082 -5.693 1.00 43.32 C ATOM 1188 OG SER A 85 14.731 27.988 -6.836 1.00 60.42 O ATOM 0 H SER A 85 12.789 27.515 -5.010 1.00 13.42 H new ATOM 0 HA SER A 85 15.374 27.558 -3.617 1.00 73.44 H new ATOM 0 HB2 SER A 85 16.099 29.031 -5.707 1.00 43.32 H new ATOM 0 HB3 SER A 85 16.313 27.292 -5.720 1.00 43.32 H new ATOM 0 HG SER A 85 15.278 28.063 -7.646 1.00 60.42 H new ATOM 1194 N THR A 86 15.118 30.054 -3.219 1.00 73.04 N ATOM 1195 CA THR A 86 14.788 31.389 -2.736 1.00 35.42 C ATOM 1196 C THR A 86 16.027 32.274 -2.675 1.00 22.31 C ATOM 1197 O THR A 86 17.147 31.781 -2.534 1.00 13.31 O ATOM 1198 CB THR A 86 14.139 31.336 -1.340 1.00 23.24 C ATOM 1199 OG1 THR A 86 13.384 30.128 -1.196 1.00 15.13 O ATOM 1200 CG2 THR A 86 13.232 32.537 -1.118 1.00 64.12 C ATOM 0 H THR A 86 16.037 29.717 -2.932 1.00 73.04 H new ATOM 0 HA THR A 86 14.076 31.814 -3.444 1.00 35.42 H new ATOM 0 HB THR A 86 14.933 31.358 -0.594 1.00 23.24 H new ATOM 0 HG1 THR A 86 13.110 30.023 -0.261 1.00 15.13 H new ATOM 0 HG21 THR A 86 12.785 32.477 -0.126 1.00 64.12 H new ATOM 0 HG22 THR A 86 13.816 33.454 -1.198 1.00 64.12 H new ATOM 0 HG23 THR A 86 12.444 32.542 -1.871 1.00 64.12 H new ATOM 1208 N ASP A 87 15.820 33.582 -2.781 1.00 63.54 N ATOM 1209 CA ASP A 87 16.922 34.536 -2.737 1.00 11.15 C ATOM 1210 C ASP A 87 16.795 35.456 -1.526 1.00 54.25 C ATOM 1211 O ASP A 87 15.766 36.103 -1.331 1.00 53.51 O ATOM 1212 CB ASP A 87 16.959 35.365 -4.021 1.00 63.14 C ATOM 1213 CG ASP A 87 17.978 36.486 -3.958 1.00 31.13 C ATOM 1214 OD1 ASP A 87 19.177 36.212 -4.177 1.00 33.04 O ATOM 1215 OD2 ASP A 87 17.576 37.637 -3.690 1.00 3.41 O ATOM 0 H ASP A 87 14.900 34.006 -2.898 1.00 63.54 H new ATOM 0 HA ASP A 87 17.853 33.975 -2.650 1.00 11.15 H new ATOM 0 HB2 ASP A 87 17.191 34.714 -4.864 1.00 63.14 H new ATOM 0 HB3 ASP A 87 15.971 35.786 -4.207 1.00 63.14 H new ATOM 1220 N PHE A 88 17.847 35.508 -0.716 1.00 54.51 N ATOM 1221 CA PHE A 88 17.852 36.348 0.477 1.00 71.45 C ATOM 1222 C PHE A 88 19.089 37.241 0.507 1.00 34.14 C ATOM 1223 O PHE A 88 20.181 36.823 0.122 1.00 33.00 O ATOM 1224 CB PHE A 88 17.804 35.481 1.736 1.00 34.43 C ATOM 1225 CG PHE A 88 16.409 35.198 2.217 1.00 52.43 C ATOM 1226 CD1 PHE A 88 15.714 36.139 2.960 1.00 41.13 C ATOM 1227 CD2 PHE A 88 15.792 33.992 1.926 1.00 45.04 C ATOM 1228 CE1 PHE A 88 14.430 35.883 3.403 1.00 22.20 C ATOM 1229 CE2 PHE A 88 14.509 33.730 2.366 1.00 52.32 C ATOM 1230 CZ PHE A 88 13.827 34.676 3.106 1.00 3.34 C ATOM 0 H PHE A 88 18.707 34.979 -0.863 1.00 54.51 H new ATOM 0 HA PHE A 88 16.967 36.984 0.448 1.00 71.45 H new ATOM 0 HB2 PHE A 88 18.309 34.536 1.536 1.00 34.43 H new ATOM 0 HB3 PHE A 88 18.360 35.978 2.531 1.00 34.43 H new ATOM 0 HD1 PHE A 88 16.181 37.084 3.196 1.00 41.13 H new ATOM 0 HD2 PHE A 88 16.320 33.248 1.348 1.00 45.04 H new ATOM 0 HE1 PHE A 88 13.899 36.625 3.980 1.00 22.20 H new ATOM 0 HE2 PHE A 88 14.040 32.786 2.132 1.00 52.32 H new ATOM 0 HZ PHE A 88 12.824 34.473 3.452 1.00 3.34 H new ATOM 1240 N LYS A 89 18.909 38.474 0.968 1.00 11.13 N ATOM 1241 CA LYS A 89 20.008 39.428 1.051 1.00 3.32 C ATOM 1242 C LYS A 89 20.102 40.030 2.450 1.00 63.13 C ATOM 1243 O LYS A 89 19.259 40.834 2.849 1.00 64.34 O ATOM 1244 CB LYS A 89 19.824 40.541 0.017 1.00 11.21 C ATOM 1245 CG LYS A 89 21.067 41.389 -0.193 1.00 32.43 C ATOM 1246 CD LYS A 89 21.863 40.921 -1.400 1.00 0.53 C ATOM 1247 CE LYS A 89 22.122 42.062 -2.372 1.00 5.23 C ATOM 1248 NZ LYS A 89 21.270 41.959 -3.588 1.00 61.04 N ATOM 0 H LYS A 89 18.011 38.836 1.290 1.00 11.13 H new ATOM 0 HA LYS A 89 20.935 38.895 0.841 1.00 3.32 H new ATOM 0 HB2 LYS A 89 19.533 40.097 -0.935 1.00 11.21 H new ATOM 0 HB3 LYS A 89 19.004 41.186 0.332 1.00 11.21 H new ATOM 0 HG2 LYS A 89 20.779 42.432 -0.328 1.00 32.43 H new ATOM 0 HG3 LYS A 89 21.694 41.344 0.697 1.00 32.43 H new ATOM 0 HD2 LYS A 89 22.813 40.500 -1.070 1.00 0.53 H new ATOM 0 HD3 LYS A 89 21.320 40.124 -1.909 1.00 0.53 H new ATOM 0 HE2 LYS A 89 21.931 43.013 -1.875 1.00 5.23 H new ATOM 0 HE3 LYS A 89 23.172 42.059 -2.663 1.00 5.23 H new ATOM 0 HZ1 LYS A 89 21.477 42.755 -4.225 1.00 61.04 H new ATOM 0 HZ2 LYS A 89 21.470 41.063 -4.077 1.00 61.04 H new ATOM 0 HZ3 LYS A 89 20.267 41.987 -3.313 1.00 61.04 H new ATOM 1262 N VAL A 90 21.134 39.637 3.190 1.00 32.42 N ATOM 1263 CA VAL A 90 21.339 40.139 4.543 1.00 3.23 C ATOM 1264 C VAL A 90 22.323 41.304 4.553 1.00 20.15 C ATOM 1265 O VAL A 90 23.437 41.195 4.040 1.00 2.31 O ATOM 1266 CB VAL A 90 21.861 39.033 5.480 1.00 53.02 C ATOM 1267 CG1 VAL A 90 21.859 39.511 6.924 1.00 43.12 C ATOM 1268 CG2 VAL A 90 21.027 37.770 5.327 1.00 63.40 C ATOM 0 H VAL A 90 21.841 38.973 2.875 1.00 32.42 H new ATOM 0 HA VAL A 90 20.369 40.482 4.903 1.00 3.23 H new ATOM 0 HB VAL A 90 22.889 38.799 5.202 1.00 53.02 H new ATOM 0 HG11 VAL A 90 22.231 38.716 7.571 1.00 43.12 H new ATOM 0 HG12 VAL A 90 22.502 40.386 7.018 1.00 43.12 H new ATOM 0 HG13 VAL A 90 20.843 39.773 7.219 1.00 43.12 H new ATOM 0 HG21 VAL A 90 21.409 36.999 5.996 1.00 63.40 H new ATOM 0 HG22 VAL A 90 19.989 37.987 5.579 1.00 63.40 H new ATOM 0 HG23 VAL A 90 21.085 37.418 4.297 1.00 63.40 H new ATOM 1278 N THR A 91 21.904 42.420 5.142 1.00 24.02 N ATOM 1279 CA THR A 91 22.748 43.606 5.219 1.00 13.12 C ATOM 1280 C THR A 91 23.265 43.822 6.637 1.00 63.33 C ATOM 1281 O THR A 91 22.873 43.114 7.564 1.00 13.31 O ATOM 1282 CB THR A 91 21.987 44.866 4.765 1.00 3.53 C ATOM 1283 OG1 THR A 91 20.893 44.500 3.917 1.00 22.23 O ATOM 1284 CG2 THR A 91 22.913 45.819 4.024 1.00 51.31 C ATOM 0 H THR A 91 20.986 42.527 5.572 1.00 24.02 H new ATOM 0 HA THR A 91 23.592 43.438 4.549 1.00 13.12 H new ATOM 0 HB THR A 91 21.604 45.371 5.652 1.00 3.53 H new ATOM 0 HG1 THR A 91 20.414 45.307 3.635 1.00 22.23 H new ATOM 0 HG21 THR A 91 22.354 46.701 3.713 1.00 51.31 H new ATOM 0 HG22 THR A 91 23.728 46.119 4.682 1.00 51.31 H new ATOM 0 HG23 THR A 91 23.321 45.320 3.145 1.00 51.31 H new ATOM 1292 N GLN A 92 24.147 44.803 6.797 1.00 64.22 N ATOM 1293 CA GLN A 92 24.718 45.111 8.103 1.00 62.42 C ATOM 1294 C GLN A 92 23.844 46.106 8.858 1.00 34.33 C ATOM 1295 O GLN A 92 23.098 46.877 8.254 1.00 41.34 O ATOM 1296 CB GLN A 92 26.132 45.673 7.945 1.00 10.12 C ATOM 1297 CG GLN A 92 26.931 45.680 9.238 1.00 5.31 C ATOM 1298 CD GLN A 92 27.889 46.853 9.326 1.00 74.42 C ATOM 1299 OE1 GLN A 92 29.053 46.749 8.939 1.00 71.34 O ATOM 1300 NE2 GLN A 92 27.402 47.978 9.837 1.00 60.44 N ATOM 0 H GLN A 92 24.482 45.398 6.039 1.00 64.22 H new ATOM 0 HA GLN A 92 24.764 44.187 8.679 1.00 62.42 H new ATOM 0 HB2 GLN A 92 26.667 45.084 7.200 1.00 10.12 H new ATOM 0 HB3 GLN A 92 26.069 46.691 7.561 1.00 10.12 H new ATOM 0 HG2 GLN A 92 26.245 45.712 10.084 1.00 5.31 H new ATOM 0 HG3 GLN A 92 27.493 44.750 9.318 1.00 5.31 H new ATOM 0 HE21 GLN A 92 26.431 48.020 10.145 1.00 60.44 H new ATOM 0 HE22 GLN A 92 27.999 48.800 9.921 1.00 60.44 H new