USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=26 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= -3.4 K(o=-4.5,f=-6.5) USER MOD Set 1.2: A 92 GLN : amide:sc= -1.08 K(o=-4.5,f=-5.5) USER MOD Set 2.1: A 67 THR OG1 : rot 168:sc= -3.81! USER MOD Set 2.2: A 69 ASN : amide:sc= -3.9! K(o=-7.7!,f=-4.4) USER MOD Set 3.1: A 24 ASN : amide:sc= -0.28 X(o=-6.6,f=-6.1) USER MOD Set 3.2: A 62 HIS : no HD1:sc= -6.28! C(o=-6.6!,f=-8.3!) USER MOD Set 4.1: A 22 GLN : amide:sc= -0.227 X(o=-0.23,f=0.23) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -1.37 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= -0.362 K(o=-0.36,f=-2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.13 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -36:sc= 0.062 USER MOD Single : A 34 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.54) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.9!) 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= -1.18 K(o=-1.2,f=-0.33) USER MOD Single : A 44 THR OG1 : rot 83:sc= 0.759 USER MOD Single : A 47 SER OG : rot -160:sc= -1.31! USER MOD Single : A 48 SER OG : rot -170:sc= -0.633 USER MOD Single : A 49 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.021) USER MOD Single : A 50 THR OG1 : rot -11:sc= 0.738 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= -2.24 K(o=-2.2,f=-9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.155 USER MOD Single : A 72 ASN : amide:sc= -0.813 X(o=-0.81,f=-0.45) 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= -1.07 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 170:sc= -0.741 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 3.705 7.329 -3.882 1.00 2.55 N ATOM 43 CA ALA A 4 4.918 7.929 -4.423 1.00 65.32 C ATOM 44 C ALA A 4 4.798 9.447 -4.489 1.00 45.42 C ATOM 45 O ALA A 4 3.759 9.982 -4.877 1.00 51.14 O ATOM 46 CB ALA A 4 5.217 7.361 -5.803 1.00 23.53 C ATOM 0 HA ALA A 4 5.744 7.685 -3.754 1.00 65.32 H new ATOM 0 HB1 ALA A 4 6.126 7.818 -6.195 1.00 23.53 H new ATOM 0 HB2 ALA A 4 5.355 6.282 -5.730 1.00 23.53 H new ATOM 0 HB3 ALA A 4 4.384 7.576 -6.473 1.00 23.53 H new ATOM 52 N LEU A 5 5.867 10.138 -4.107 1.00 63.33 N ATOM 53 CA LEU A 5 5.882 11.596 -4.122 1.00 55.45 C ATOM 54 C LEU A 5 5.411 12.132 -5.471 1.00 71.41 C ATOM 55 O LEU A 5 5.360 11.398 -6.459 1.00 2.15 O ATOM 56 CB LEU A 5 7.288 12.115 -3.818 1.00 12.54 C ATOM 57 CG LEU A 5 8.441 11.349 -4.465 1.00 64.33 C ATOM 58 CD1 LEU A 5 9.489 12.312 -5.000 1.00 3.41 C ATOM 59 CD2 LEU A 5 9.063 10.380 -3.470 1.00 3.10 C ATOM 0 H LEU A 5 6.735 9.711 -3.783 1.00 63.33 H new ATOM 0 HA LEU A 5 5.197 11.949 -3.352 1.00 55.45 H new ATOM 0 HB2 LEU A 5 7.346 13.156 -4.136 1.00 12.54 H new ATOM 0 HB3 LEU A 5 7.432 12.104 -2.738 1.00 12.54 H new ATOM 0 HG LEU A 5 8.045 10.774 -5.302 1.00 64.33 H new ATOM 0 HD11 LEU A 5 10.302 11.748 -5.457 1.00 3.41 H new ATOM 0 HD12 LEU A 5 9.036 12.965 -5.746 1.00 3.41 H new ATOM 0 HD13 LEU A 5 9.881 12.915 -4.181 1.00 3.41 H new ATOM 0 HD21 LEU A 5 9.882 9.843 -3.948 1.00 3.10 H new ATOM 0 HD22 LEU A 5 9.444 10.934 -2.612 1.00 3.10 H new ATOM 0 HD23 LEU A 5 8.309 9.668 -3.136 1.00 3.10 H new ATOM 71 N VAL A 6 5.069 13.416 -5.506 1.00 21.32 N ATOM 72 CA VAL A 6 4.606 14.051 -6.734 1.00 31.41 C ATOM 73 C VAL A 6 4.960 15.533 -6.754 1.00 3.25 C ATOM 74 O VAL A 6 5.793 15.972 -7.546 1.00 42.44 O ATOM 75 CB VAL A 6 3.083 13.896 -6.906 1.00 21.31 C ATOM 76 CG1 VAL A 6 2.609 14.631 -8.150 1.00 15.43 C ATOM 77 CG2 VAL A 6 2.701 12.424 -6.968 1.00 43.53 C ATOM 0 H VAL A 6 5.104 14.037 -4.698 1.00 21.32 H new ATOM 0 HA VAL A 6 5.111 13.549 -7.559 1.00 31.41 H new ATOM 0 HB VAL A 6 2.590 14.340 -6.041 1.00 21.31 H new ATOM 0 HG11 VAL A 6 1.531 14.510 -8.255 1.00 15.43 H new ATOM 0 HG12 VAL A 6 2.849 15.691 -8.060 1.00 15.43 H new ATOM 0 HG13 VAL A 6 3.107 14.220 -9.028 1.00 15.43 H new ATOM 0 HG21 VAL A 6 1.622 12.333 -7.090 1.00 43.53 H new ATOM 0 HG22 VAL A 6 3.202 11.953 -7.814 1.00 43.53 H new ATOM 0 HG23 VAL A 6 3.005 11.930 -6.045 1.00 43.53 H new ATOM 87 N SER A 7 4.322 16.300 -5.875 1.00 45.21 N ATOM 88 CA SER A 7 4.568 17.735 -5.793 1.00 52.34 C ATOM 89 C SER A 7 4.645 18.191 -4.339 1.00 43.25 C ATOM 90 O SER A 7 4.320 17.436 -3.423 1.00 1.12 O ATOM 91 CB SER A 7 3.465 18.505 -6.523 1.00 62.00 C ATOM 92 OG SER A 7 3.058 17.823 -7.696 1.00 70.15 O ATOM 0 H SER A 7 3.631 15.952 -5.210 1.00 45.21 H new ATOM 0 HA SER A 7 5.525 17.943 -6.272 1.00 52.34 H new ATOM 0 HB2 SER A 7 2.610 18.637 -5.860 1.00 62.00 H new ATOM 0 HB3 SER A 7 3.824 19.501 -6.783 1.00 62.00 H new ATOM 0 HG SER A 7 2.352 18.334 -8.143 1.00 70.15 H new ATOM 98 N ILE A 8 5.078 19.431 -4.137 1.00 42.02 N ATOM 99 CA ILE A 8 5.198 19.989 -2.796 1.00 33.43 C ATOM 100 C ILE A 8 4.805 21.462 -2.776 1.00 35.23 C ATOM 101 O ILE A 8 4.891 22.152 -3.791 1.00 71.25 O ATOM 102 CB ILE A 8 6.631 19.844 -2.252 1.00 22.04 C ATOM 103 CG1 ILE A 8 7.551 20.884 -2.894 1.00 43.00 C ATOM 104 CG2 ILE A 8 7.154 18.438 -2.504 1.00 63.13 C ATOM 105 CD1 ILE A 8 9.001 20.743 -2.485 1.00 52.21 C ATOM 0 H ILE A 8 5.351 20.068 -4.885 1.00 42.02 H new ATOM 0 HA ILE A 8 4.517 19.425 -2.158 1.00 33.43 H new ATOM 0 HB ILE A 8 6.614 20.016 -1.176 1.00 22.04 H new ATOM 0 HG12 ILE A 8 7.478 20.802 -3.978 1.00 43.00 H new ATOM 0 HG13 ILE A 8 7.202 21.881 -2.626 1.00 43.00 H new ATOM 0 HG21 ILE A 8 8.168 18.352 -2.114 1.00 63.13 H new ATOM 0 HG22 ILE A 8 6.510 17.715 -2.004 1.00 63.13 H new ATOM 0 HG23 ILE A 8 7.159 18.238 -3.576 1.00 63.13 H new ATOM 0 HD11 ILE A 8 9.595 21.513 -2.978 1.00 52.21 H new ATOM 0 HD12 ILE A 8 9.087 20.855 -1.404 1.00 52.21 H new ATOM 0 HD13 ILE A 8 9.368 19.759 -2.778 1.00 52.21 H new ATOM 117 N SER A 9 4.374 21.938 -1.612 1.00 11.01 N ATOM 118 CA SER A 9 3.965 23.330 -1.459 1.00 65.53 C ATOM 119 C SER A 9 4.974 24.102 -0.615 1.00 10.24 C ATOM 120 O SER A 9 5.070 23.902 0.596 1.00 30.23 O ATOM 121 CB SER A 9 2.579 23.409 -0.818 1.00 32.31 C ATOM 122 OG SER A 9 1.682 24.145 -1.631 1.00 1.40 O ATOM 0 H SER A 9 4.299 21.381 -0.761 1.00 11.01 H new ATOM 0 HA SER A 9 3.925 23.783 -2.450 1.00 65.53 H new ATOM 0 HB2 SER A 9 2.190 22.403 -0.660 1.00 32.31 H new ATOM 0 HB3 SER A 9 2.655 23.879 0.163 1.00 32.31 H new ATOM 0 HG SER A 9 0.803 24.179 -1.200 1.00 1.40 H new ATOM 128 N VAL A 10 5.725 24.987 -1.263 1.00 11.01 N ATOM 129 CA VAL A 10 6.726 25.792 -0.573 1.00 20.42 C ATOM 130 C VAL A 10 6.430 27.280 -0.718 1.00 1.11 C ATOM 131 O VAL A 10 6.116 27.758 -1.808 1.00 64.32 O ATOM 132 CB VAL A 10 8.142 25.506 -1.108 1.00 52.21 C ATOM 133 CG1 VAL A 10 8.544 24.069 -0.814 1.00 43.11 C ATOM 134 CG2 VAL A 10 8.215 25.794 -2.600 1.00 10.50 C ATOM 0 H VAL A 10 5.659 25.165 -2.265 1.00 11.01 H new ATOM 0 HA VAL A 10 6.682 25.517 0.481 1.00 20.42 H new ATOM 0 HB VAL A 10 8.844 26.166 -0.599 1.00 52.21 H new ATOM 0 HG11 VAL A 10 9.547 23.886 -1.199 1.00 43.11 H new ATOM 0 HG12 VAL A 10 8.533 23.901 0.263 1.00 43.11 H new ATOM 0 HG13 VAL A 10 7.841 23.389 -1.295 1.00 43.11 H new ATOM 0 HG21 VAL A 10 9.222 25.587 -2.962 1.00 10.50 H new ATOM 0 HG22 VAL A 10 7.502 25.161 -3.128 1.00 10.50 H new ATOM 0 HG23 VAL A 10 7.973 26.841 -2.781 1.00 10.50 H new ATOM 144 N SER A 11 6.533 28.009 0.389 1.00 73.11 N ATOM 145 CA SER A 11 6.273 29.444 0.386 1.00 31.32 C ATOM 146 C SER A 11 7.527 30.224 0.771 1.00 74.45 C ATOM 147 O SER A 11 7.595 30.859 1.823 1.00 24.51 O ATOM 148 CB SER A 11 5.134 29.779 1.351 1.00 0.11 C ATOM 149 OG SER A 11 3.894 29.296 0.864 1.00 50.41 O ATOM 0 H SER A 11 6.795 27.630 1.299 1.00 73.11 H new ATOM 0 HA SER A 11 5.982 29.734 -0.624 1.00 31.32 H new ATOM 0 HB2 SER A 11 5.340 29.341 2.328 1.00 0.11 H new ATOM 0 HB3 SER A 11 5.078 30.858 1.491 1.00 0.11 H new ATOM 0 HG SER A 11 3.183 29.521 1.499 1.00 50.41 H new ATOM 155 N PRO A 12 8.543 30.175 -0.103 1.00 3.50 N ATOM 156 CA PRO A 12 9.814 30.872 0.122 1.00 74.43 C ATOM 157 C PRO A 12 9.670 32.386 0.021 1.00 2.42 C ATOM 158 O PRO A 12 8.847 32.894 -0.741 1.00 34.20 O ATOM 159 CB PRO A 12 10.711 30.344 -1.001 1.00 33.24 C ATOM 160 CG PRO A 12 9.767 29.931 -2.077 1.00 63.11 C ATOM 161 CD PRO A 12 8.531 29.438 -1.378 1.00 12.24 C ATOM 0 HA PRO A 12 10.208 30.690 1.122 1.00 74.43 H new ATOM 0 HB2 PRO A 12 11.400 31.112 -1.352 1.00 33.24 H new ATOM 0 HB3 PRO A 12 11.317 29.504 -0.662 1.00 33.24 H new ATOM 0 HG2 PRO A 12 9.535 30.768 -2.735 1.00 63.11 H new ATOM 0 HG3 PRO A 12 10.202 29.148 -2.698 1.00 63.11 H new ATOM 0 HD2 PRO A 12 7.631 29.649 -1.956 1.00 12.24 H new ATOM 0 HD3 PRO A 12 8.562 28.360 -1.219 1.00 12.24 H new ATOM 169 N THR A 13 10.477 33.105 0.795 1.00 4.51 N ATOM 170 CA THR A 13 10.440 34.562 0.794 1.00 51.44 C ATOM 171 C THR A 13 11.759 35.146 0.299 1.00 34.25 C ATOM 172 O THR A 13 12.791 35.014 0.955 1.00 20.52 O ATOM 173 CB THR A 13 10.140 35.118 2.199 1.00 42.03 C ATOM 174 OG1 THR A 13 8.892 34.601 2.674 1.00 41.41 O ATOM 175 CG2 THR A 13 10.092 36.638 2.180 1.00 15.43 C ATOM 0 H THR A 13 11.165 32.701 1.431 1.00 4.51 H new ATOM 0 HA THR A 13 9.639 34.857 0.116 1.00 51.44 H new ATOM 0 HB THR A 13 10.941 34.804 2.869 1.00 42.03 H new ATOM 0 HG1 THR A 13 8.709 34.958 3.568 1.00 41.41 H new ATOM 0 HG21 THR A 13 9.879 37.008 3.183 1.00 15.43 H new ATOM 0 HG22 THR A 13 11.053 37.028 1.846 1.00 15.43 H new ATOM 0 HG23 THR A 13 9.309 36.969 1.497 1.00 15.43 H new ATOM 183 N ASN A 14 11.716 35.793 -0.861 1.00 23.41 N ATOM 184 CA ASN A 14 12.909 36.397 -1.443 1.00 22.00 C ATOM 185 C ASN A 14 12.983 37.884 -1.110 1.00 42.01 C ATOM 186 O ASN A 14 12.516 38.726 -1.877 1.00 3.32 O ATOM 187 CB ASN A 14 12.917 36.202 -2.960 1.00 74.44 C ATOM 188 CG ASN A 14 11.609 36.621 -3.604 1.00 2.52 C ATOM 189 OD1 ASN A 14 10.591 35.943 -3.467 1.00 61.11 O ATOM 190 ND2 ASN A 14 11.632 37.745 -4.311 1.00 11.54 N ATOM 0 H ASN A 14 10.869 35.912 -1.416 1.00 23.41 H new ATOM 0 HA ASN A 14 13.781 35.903 -1.016 1.00 22.00 H new ATOM 0 HB2 ASN A 14 13.734 36.779 -3.393 1.00 74.44 H new ATOM 0 HB3 ASN A 14 13.112 35.154 -3.188 1.00 74.44 H new ATOM 0 HD21 ASN A 14 10.783 38.078 -4.767 1.00 11.54 H new ATOM 0 HD22 ASN A 14 12.499 38.275 -4.398 1.00 11.54 H new ATOM 197 N SER A 15 13.574 38.199 0.038 1.00 13.13 N ATOM 198 CA SER A 15 13.707 39.584 0.475 1.00 55.12 C ATOM 199 C SER A 15 15.012 39.791 1.236 1.00 22.14 C ATOM 200 O SER A 15 15.875 38.913 1.263 1.00 24.05 O ATOM 201 CB SER A 15 12.520 39.979 1.357 1.00 44.14 C ATOM 202 OG SER A 15 11.965 41.215 0.941 1.00 21.11 O ATOM 0 H SER A 15 13.968 37.514 0.682 1.00 13.13 H new ATOM 0 HA SER A 15 13.719 40.219 -0.411 1.00 55.12 H new ATOM 0 HB2 SER A 15 11.757 39.202 1.315 1.00 44.14 H new ATOM 0 HB3 SER A 15 12.843 40.053 2.395 1.00 44.14 H new ATOM 0 HG SER A 15 11.207 41.444 1.519 1.00 21.11 H new ATOM 208 N THR A 16 15.150 40.959 1.855 1.00 3.45 N ATOM 209 CA THR A 16 16.350 41.284 2.617 1.00 71.21 C ATOM 210 C THR A 16 16.037 41.424 4.102 1.00 22.23 C ATOM 211 O THR A 16 14.902 41.708 4.484 1.00 52.31 O ATOM 212 CB THR A 16 16.998 42.588 2.115 1.00 21.02 C ATOM 213 OG1 THR A 16 17.991 43.032 3.047 1.00 35.22 O ATOM 214 CG2 THR A 16 15.951 43.675 1.926 1.00 73.10 C ATOM 0 H THR A 16 14.445 41.696 1.844 1.00 3.45 H new ATOM 0 HA THR A 16 17.049 40.460 2.472 1.00 71.21 H new ATOM 0 HB THR A 16 17.468 42.387 1.152 1.00 21.02 H new ATOM 0 HG1 THR A 16 18.739 42.399 3.055 1.00 35.22 H new ATOM 0 HG21 THR A 16 16.433 44.586 1.571 1.00 73.10 H new ATOM 0 HG22 THR A 16 15.213 43.346 1.194 1.00 73.10 H new ATOM 0 HG23 THR A 16 15.456 43.873 2.877 1.00 73.10 H new ATOM 222 N VAL A 17 17.052 41.223 4.937 1.00 34.24 N ATOM 223 CA VAL A 17 16.885 41.329 6.382 1.00 21.50 C ATOM 224 C VAL A 17 18.032 42.110 7.012 1.00 45.33 C ATOM 225 O VAL A 17 19.129 42.177 6.458 1.00 64.31 O ATOM 226 CB VAL A 17 16.803 39.939 7.041 1.00 60.32 C ATOM 227 CG1 VAL A 17 15.731 39.093 6.371 1.00 61.52 C ATOM 228 CG2 VAL A 17 18.155 39.243 6.986 1.00 33.10 C ATOM 0 H VAL A 17 17.998 40.986 4.638 1.00 34.24 H new ATOM 0 HA VAL A 17 15.949 41.861 6.554 1.00 21.50 H new ATOM 0 HB VAL A 17 16.529 40.068 8.088 1.00 60.32 H new ATOM 0 HG11 VAL A 17 15.688 38.115 6.850 1.00 61.52 H new ATOM 0 HG12 VAL A 17 14.764 39.587 6.467 1.00 61.52 H new ATOM 0 HG13 VAL A 17 15.972 38.970 5.315 1.00 61.52 H new ATOM 0 HG21 VAL A 17 18.079 38.262 7.456 1.00 33.10 H new ATOM 0 HG22 VAL A 17 18.461 39.124 5.947 1.00 33.10 H new ATOM 0 HG23 VAL A 17 18.895 39.843 7.516 1.00 33.10 H new ATOM 238 N ALA A 18 17.771 42.701 8.173 1.00 25.14 N ATOM 239 CA ALA A 18 18.783 43.476 8.880 1.00 1.44 C ATOM 240 C ALA A 18 19.819 42.565 9.530 1.00 72.00 C ATOM 241 O ALA A 18 19.646 41.347 9.578 1.00 23.21 O ATOM 242 CB ALA A 18 18.130 44.366 9.927 1.00 14.33 C ATOM 0 H ALA A 18 16.867 42.658 8.644 1.00 25.14 H new ATOM 0 HA ALA A 18 19.296 44.105 8.153 1.00 1.44 H new ATOM 0 HB1 ALA A 18 18.897 44.939 10.447 1.00 14.33 H new ATOM 0 HB2 ALA A 18 17.434 45.050 9.441 1.00 14.33 H new ATOM 0 HB3 ALA A 18 17.590 43.748 10.644 1.00 14.33 H new ATOM 248 N LYS A 19 20.896 43.162 10.029 1.00 51.25 N ATOM 249 CA LYS A 19 21.960 42.405 10.676 1.00 3.03 C ATOM 250 C LYS A 19 21.394 41.475 11.745 1.00 41.51 C ATOM 251 O LYS A 19 20.723 41.920 12.675 1.00 21.45 O ATOM 252 CB LYS A 19 22.983 43.356 11.302 1.00 13.34 C ATOM 253 CG LYS A 19 24.418 42.876 11.174 1.00 0.44 C ATOM 254 CD LYS A 19 24.727 41.771 12.170 1.00 5.44 C ATOM 255 CE LYS A 19 25.470 40.619 11.512 1.00 43.24 C ATOM 256 NZ LYS A 19 26.509 40.043 12.410 1.00 44.43 N ATOM 0 H LYS A 19 21.055 44.169 9.997 1.00 51.25 H new ATOM 0 HA LYS A 19 22.454 41.799 9.916 1.00 3.03 H new ATOM 0 HB2 LYS A 19 22.893 44.335 10.831 1.00 13.34 H new ATOM 0 HB3 LYS A 19 22.746 43.488 12.358 1.00 13.34 H new ATOM 0 HG2 LYS A 19 24.592 42.513 10.161 1.00 0.44 H new ATOM 0 HG3 LYS A 19 25.098 43.712 11.335 1.00 0.44 H new ATOM 0 HD2 LYS A 19 25.327 42.173 12.986 1.00 5.44 H new ATOM 0 HD3 LYS A 19 23.799 41.404 12.607 1.00 5.44 H new ATOM 0 HE2 LYS A 19 24.759 39.841 11.233 1.00 43.24 H new ATOM 0 HE3 LYS A 19 25.938 40.968 10.592 1.00 43.24 H new ATOM 0 HZ1 LYS A 19 26.993 39.261 11.924 1.00 44.43 H new ATOM 0 HZ2 LYS A 19 27.202 40.779 12.656 1.00 44.43 H new ATOM 0 HZ3 LYS A 19 26.059 39.687 13.278 1.00 44.43 H new ATOM 270 N GLY A 20 21.671 40.182 11.605 1.00 14.32 N ATOM 271 CA GLY A 20 21.182 39.211 12.567 1.00 41.24 C ATOM 272 C GLY A 20 19.674 39.060 12.523 1.00 5.44 C ATOM 273 O GLY A 20 18.960 39.652 13.334 1.00 23.22 O ATOM 0 H GLY A 20 22.225 39.790 10.843 1.00 14.32 H new ATOM 0 HA2 GLY A 20 21.647 38.245 12.371 1.00 41.24 H new ATOM 0 HA3 GLY A 20 21.485 39.513 13.570 1.00 41.24 H new ATOM 277 N LEU A 21 19.188 38.268 11.574 1.00 12.44 N ATOM 278 CA LEU A 21 17.754 38.043 11.427 1.00 21.41 C ATOM 279 C LEU A 21 17.463 36.578 11.116 1.00 54.00 C ATOM 280 O LEU A 21 18.369 35.810 10.794 1.00 50.41 O ATOM 281 CB LEU A 21 17.189 38.933 10.320 1.00 53.45 C ATOM 282 CG LEU A 21 15.794 39.509 10.567 1.00 32.43 C ATOM 283 CD1 LEU A 21 15.803 41.021 10.406 1.00 65.35 C ATOM 284 CD2 LEU A 21 14.781 38.876 9.624 1.00 32.02 C ATOM 0 H LEU A 21 19.765 37.771 10.895 1.00 12.44 H new ATOM 0 HA LEU A 21 17.272 38.298 12.371 1.00 21.41 H new ATOM 0 HB2 LEU A 21 17.879 39.761 10.160 1.00 53.45 H new ATOM 0 HB3 LEU A 21 17.163 38.356 9.395 1.00 53.45 H new ATOM 0 HG LEU A 21 15.503 39.276 11.591 1.00 32.43 H new ATOM 0 HD11 LEU A 21 14.802 41.412 10.586 1.00 65.35 H new ATOM 0 HD12 LEU A 21 16.498 41.459 11.123 1.00 65.35 H new ATOM 0 HD13 LEU A 21 16.116 41.277 9.394 1.00 65.35 H new ATOM 0 HD21 LEU A 21 13.794 39.298 9.814 1.00 32.02 H new ATOM 0 HD22 LEU A 21 15.069 39.077 8.592 1.00 32.02 H new ATOM 0 HD23 LEU A 21 14.753 37.799 9.790 1.00 32.02 H new ATOM 296 N GLN A 22 16.192 36.199 11.213 1.00 43.33 N ATOM 297 CA GLN A 22 15.782 34.827 10.940 1.00 51.00 C ATOM 298 C GLN A 22 14.354 34.782 10.406 1.00 62.25 C ATOM 299 O GLN A 22 13.553 35.677 10.673 1.00 64.11 O ATOM 300 CB GLN A 22 15.892 33.978 12.208 1.00 73.04 C ATOM 301 CG GLN A 22 15.330 34.658 13.446 1.00 75.33 C ATOM 302 CD GLN A 22 16.403 35.010 14.457 1.00 60.54 C ATOM 303 OE1 GLN A 22 16.488 36.148 14.918 1.00 20.13 O ATOM 304 NE2 GLN A 22 17.230 34.032 14.807 1.00 64.44 N ATOM 0 H GLN A 22 15.430 36.823 11.478 1.00 43.33 H new ATOM 0 HA GLN A 22 16.448 34.420 10.179 1.00 51.00 H new ATOM 0 HB2 GLN A 22 15.367 33.036 12.051 1.00 73.04 H new ATOM 0 HB3 GLN A 22 16.940 33.734 12.382 1.00 73.04 H new ATOM 0 HG2 GLN A 22 14.804 35.565 13.150 1.00 75.33 H new ATOM 0 HG3 GLN A 22 14.596 34.002 13.914 1.00 75.33 H new ATOM 0 HE21 GLN A 22 17.123 33.103 14.399 1.00 64.44 H new ATOM 0 HE22 GLN A 22 17.972 34.210 15.483 1.00 64.44 H new ATOM 313 N GLU A 23 14.044 33.734 9.649 1.00 34.30 N ATOM 314 CA GLU A 23 12.712 33.574 9.076 1.00 21.44 C ATOM 315 C GLU A 23 12.252 32.121 9.167 1.00 50.51 C ATOM 316 O GLU A 23 13.058 31.197 9.071 1.00 31.05 O ATOM 317 CB GLU A 23 12.702 34.033 7.617 1.00 52.40 C ATOM 318 CG GLU A 23 12.767 35.543 7.454 1.00 75.31 C ATOM 319 CD GLU A 23 11.614 36.091 6.634 1.00 24.25 C ATOM 320 OE1 GLU A 23 11.636 35.926 5.397 1.00 62.24 O ATOM 321 OE2 GLU A 23 10.692 36.685 7.230 1.00 34.32 O ATOM 0 H GLU A 23 14.696 32.984 9.418 1.00 34.30 H new ATOM 0 HA GLU A 23 12.021 34.193 9.649 1.00 21.44 H new ATOM 0 HB2 GLU A 23 13.548 33.583 7.097 1.00 52.40 H new ATOM 0 HB3 GLU A 23 11.798 33.662 7.134 1.00 52.40 H new ATOM 0 HG2 GLU A 23 12.763 36.012 8.438 1.00 75.31 H new ATOM 0 HG3 GLU A 23 13.709 35.813 6.976 1.00 75.31 H new ATOM 328 N ASN A 24 10.950 31.930 9.352 1.00 11.03 N ATOM 329 CA ASN A 24 10.382 30.591 9.457 1.00 15.01 C ATOM 330 C ASN A 24 9.437 30.308 8.293 1.00 40.33 C ATOM 331 O ASN A 24 8.668 31.176 7.878 1.00 31.24 O ATOM 332 CB ASN A 24 9.635 30.433 10.783 1.00 3.55 C ATOM 333 CG ASN A 24 8.518 29.411 10.701 1.00 43.14 C ATOM 334 OD1 ASN A 24 7.345 29.742 10.870 1.00 52.43 O ATOM 335 ND2 ASN A 24 8.880 28.160 10.439 1.00 14.24 N ATOM 0 H ASN A 24 10.269 32.685 9.432 1.00 11.03 H new ATOM 0 HA ASN A 24 11.201 29.873 9.421 1.00 15.01 H new ATOM 0 HB2 ASN A 24 10.339 30.135 11.560 1.00 3.55 H new ATOM 0 HB3 ASN A 24 9.221 31.396 11.080 1.00 3.55 H new ATOM 0 HD21 ASN A 24 8.173 27.428 10.371 1.00 14.24 H new ATOM 0 HD22 ASN A 24 9.865 27.931 10.306 1.00 14.24 H new ATOM 342 N PHE A 25 9.500 29.088 7.769 1.00 5.44 N ATOM 343 CA PHE A 25 8.651 28.691 6.652 1.00 25.44 C ATOM 344 C PHE A 25 8.086 27.290 6.871 1.00 42.22 C ATOM 345 O PHE A 25 8.358 26.650 7.887 1.00 75.33 O ATOM 346 CB PHE A 25 9.441 28.736 5.343 1.00 62.43 C ATOM 347 CG PHE A 25 10.405 27.595 5.184 1.00 31.53 C ATOM 348 CD1 PHE A 25 11.665 27.650 5.758 1.00 70.11 C ATOM 349 CD2 PHE A 25 10.051 26.466 4.462 1.00 14.32 C ATOM 350 CE1 PHE A 25 12.554 26.602 5.613 1.00 72.41 C ATOM 351 CE2 PHE A 25 10.935 25.415 4.314 1.00 22.42 C ATOM 352 CZ PHE A 25 12.188 25.482 4.891 1.00 1.13 C ATOM 0 H PHE A 25 10.130 28.357 8.100 1.00 5.44 H new ATOM 0 HA PHE A 25 7.820 29.394 6.591 1.00 25.44 H new ATOM 0 HB2 PHE A 25 8.743 28.730 4.506 1.00 62.43 H new ATOM 0 HB3 PHE A 25 9.991 29.676 5.292 1.00 62.43 H new ATOM 0 HD1 PHE A 25 11.956 28.522 6.325 1.00 70.11 H new ATOM 0 HD2 PHE A 25 9.072 26.407 4.010 1.00 14.32 H new ATOM 0 HE1 PHE A 25 13.534 26.658 6.064 1.00 72.41 H new ATOM 0 HE2 PHE A 25 10.647 24.542 3.748 1.00 22.42 H new ATOM 0 HZ PHE A 25 12.880 24.661 4.778 1.00 1.13 H new ATOM 362 N LYS A 26 7.298 26.821 5.910 1.00 72.41 N ATOM 363 CA LYS A 26 6.693 25.496 5.994 1.00 5.33 C ATOM 364 C LYS A 26 6.611 24.847 4.616 1.00 14.34 C ATOM 365 O LYS A 26 6.443 25.531 3.607 1.00 33.01 O ATOM 366 CB LYS A 26 5.296 25.589 6.611 1.00 51.32 C ATOM 367 CG LYS A 26 4.813 24.285 7.222 1.00 53.42 C ATOM 368 CD LYS A 26 5.104 24.226 8.712 1.00 54.20 C ATOM 369 CE LYS A 26 4.498 22.985 9.349 1.00 21.03 C ATOM 370 NZ LYS A 26 4.032 23.246 10.739 1.00 12.42 N ATOM 0 H LYS A 26 7.063 27.339 5.063 1.00 72.41 H new ATOM 0 HA LYS A 26 7.323 24.875 6.631 1.00 5.33 H new ATOM 0 HB2 LYS A 26 5.298 26.362 7.380 1.00 51.32 H new ATOM 0 HB3 LYS A 26 4.589 25.905 5.844 1.00 51.32 H new ATOM 0 HG2 LYS A 26 3.741 24.179 7.055 1.00 53.42 H new ATOM 0 HG3 LYS A 26 5.298 23.446 6.722 1.00 53.42 H new ATOM 0 HD2 LYS A 26 6.182 24.230 8.874 1.00 54.20 H new ATOM 0 HD3 LYS A 26 4.706 25.117 9.197 1.00 54.20 H new ATOM 0 HE2 LYS A 26 3.660 22.639 8.744 1.00 21.03 H new ATOM 0 HE3 LYS A 26 5.237 22.184 9.358 1.00 21.03 H new ATOM 0 HZ1 LYS A 26 3.626 22.376 11.138 1.00 12.42 H new ATOM 0 HZ2 LYS A 26 4.836 23.552 11.323 1.00 12.42 H new ATOM 0 HZ3 LYS A 26 3.308 23.993 10.728 1.00 12.42 H new ATOM 384 N ALA A 27 6.728 23.524 4.583 1.00 62.13 N ATOM 385 CA ALA A 27 6.663 22.783 3.329 1.00 31.11 C ATOM 386 C ALA A 27 5.692 21.612 3.434 1.00 71.23 C ATOM 387 O ALA A 27 5.702 20.869 4.416 1.00 75.22 O ATOM 388 CB ALA A 27 8.047 22.290 2.935 1.00 62.21 C ATOM 0 H ALA A 27 6.868 22.943 5.410 1.00 62.13 H new ATOM 0 HA ALA A 27 6.296 23.457 2.555 1.00 31.11 H new ATOM 0 HB1 ALA A 27 7.983 21.738 1.997 1.00 62.21 H new ATOM 0 HB2 ALA A 27 8.715 23.142 2.810 1.00 62.21 H new ATOM 0 HB3 ALA A 27 8.436 21.635 3.715 1.00 62.21 H new ATOM 394 N THR A 28 4.853 21.452 2.415 1.00 73.21 N ATOM 395 CA THR A 28 3.874 20.372 2.393 1.00 10.22 C ATOM 396 C THR A 28 4.153 19.400 1.253 1.00 51.24 C ATOM 397 O THR A 28 4.253 19.800 0.094 1.00 43.34 O ATOM 398 CB THR A 28 2.440 20.917 2.250 1.00 62.44 C ATOM 399 OG1 THR A 28 2.317 22.161 2.946 1.00 12.54 O ATOM 400 CG2 THR A 28 1.427 19.922 2.795 1.00 74.23 C ATOM 0 H THR A 28 4.832 22.057 1.594 1.00 73.21 H new ATOM 0 HA THR A 28 3.962 19.846 3.344 1.00 10.22 H new ATOM 0 HB THR A 28 2.238 21.073 1.190 1.00 62.44 H new ATOM 0 HG1 THR A 28 1.403 22.501 2.849 1.00 12.54 H new ATOM 0 HG21 THR A 28 0.422 20.328 2.683 1.00 74.23 H new ATOM 0 HG22 THR A 28 1.503 18.986 2.242 1.00 74.23 H new ATOM 0 HG23 THR A 28 1.629 19.738 3.850 1.00 74.23 H new ATOM 408 N GLY A 29 4.276 18.120 1.589 1.00 25.30 N ATOM 409 CA GLY A 29 4.542 17.110 0.581 1.00 41.11 C ATOM 410 C GLY A 29 3.275 16.454 0.070 1.00 70.23 C ATOM 411 O GLY A 29 2.342 16.211 0.835 1.00 33.14 O ATOM 0 H GLY A 29 4.196 17.764 2.542 1.00 25.30 H new ATOM 0 HA2 GLY A 29 5.074 17.566 -0.254 1.00 41.11 H new ATOM 0 HA3 GLY A 29 5.199 16.348 0.999 1.00 41.11 H new ATOM 415 N ILE A 30 3.241 16.167 -1.227 1.00 53.53 N ATOM 416 CA ILE A 30 2.078 15.536 -1.839 1.00 42.13 C ATOM 417 C ILE A 30 2.455 14.216 -2.504 1.00 5.51 C ATOM 418 O ILE A 30 3.541 14.082 -3.069 1.00 72.24 O ATOM 419 CB ILE A 30 1.424 16.456 -2.886 1.00 55.52 C ATOM 420 CG1 ILE A 30 0.974 17.766 -2.236 1.00 2.52 C ATOM 421 CG2 ILE A 30 0.246 15.755 -3.546 1.00 35.24 C ATOM 422 CD1 ILE A 30 2.003 18.872 -2.330 1.00 75.23 C ATOM 0 H ILE A 30 4.005 16.361 -1.874 1.00 53.53 H new ATOM 0 HA ILE A 30 1.364 15.346 -1.038 1.00 42.13 H new ATOM 0 HB ILE A 30 2.161 16.688 -3.655 1.00 55.52 H new ATOM 0 HG12 ILE A 30 0.050 18.099 -2.710 1.00 2.52 H new ATOM 0 HG13 ILE A 30 0.745 17.582 -1.186 1.00 2.52 H new ATOM 0 HG21 ILE A 30 -0.206 16.419 -4.284 1.00 35.24 H new ATOM 0 HG22 ILE A 30 0.593 14.847 -4.039 1.00 35.24 H new ATOM 0 HG23 ILE A 30 -0.494 15.497 -2.789 1.00 35.24 H new ATOM 0 HD11 ILE A 30 1.617 19.770 -1.849 1.00 75.23 H new ATOM 0 HD12 ILE A 30 2.920 18.559 -1.831 1.00 75.23 H new ATOM 0 HD13 ILE A 30 2.214 19.084 -3.378 1.00 75.23 H new ATOM 434 N PHE A 31 1.551 13.245 -2.433 1.00 45.02 N ATOM 435 CA PHE A 31 1.789 11.935 -3.029 1.00 14.31 C ATOM 436 C PHE A 31 0.797 11.663 -4.156 1.00 42.05 C ATOM 437 O PHE A 31 -0.245 12.312 -4.253 1.00 70.14 O ATOM 438 CB PHE A 31 1.681 10.841 -1.965 1.00 65.31 C ATOM 439 CG PHE A 31 2.917 10.701 -1.122 1.00 52.12 C ATOM 440 CD1 PHE A 31 3.393 11.773 -0.384 1.00 74.11 C ATOM 441 CD2 PHE A 31 3.602 9.498 -1.067 1.00 72.04 C ATOM 442 CE1 PHE A 31 4.530 11.647 0.392 1.00 55.24 C ATOM 443 CE2 PHE A 31 4.739 9.366 -0.293 1.00 1.20 C ATOM 444 CZ PHE A 31 5.203 10.442 0.438 1.00 11.13 C ATOM 0 H PHE A 31 0.648 13.340 -1.969 1.00 45.02 H new ATOM 0 HA PHE A 31 2.796 11.930 -3.445 1.00 14.31 H new ATOM 0 HB2 PHE A 31 0.832 11.058 -1.317 1.00 65.31 H new ATOM 0 HB3 PHE A 31 1.474 9.889 -2.454 1.00 65.31 H new ATOM 0 HD1 PHE A 31 2.870 12.717 -0.415 1.00 74.11 H new ATOM 0 HD2 PHE A 31 3.243 8.653 -1.636 1.00 72.04 H new ATOM 0 HE1 PHE A 31 4.892 12.490 0.962 1.00 55.24 H new ATOM 0 HE2 PHE A 31 5.264 8.423 -0.260 1.00 1.20 H new ATOM 0 HZ PHE A 31 6.091 10.341 1.045 1.00 11.13 H new ATOM 454 N THR A 32 1.130 10.698 -5.009 1.00 13.32 N ATOM 455 CA THR A 32 0.271 10.340 -6.131 1.00 2.42 C ATOM 456 C THR A 32 -1.024 9.697 -5.649 1.00 11.33 C ATOM 457 O THR A 32 -1.976 9.547 -6.415 1.00 31.24 O ATOM 458 CB THR A 32 0.983 9.374 -7.096 1.00 75.14 C ATOM 459 OG1 THR A 32 0.115 9.044 -8.187 1.00 33.45 O ATOM 460 CG2 THR A 32 1.406 8.103 -6.376 1.00 20.03 C ATOM 0 H THR A 32 1.988 10.151 -4.944 1.00 13.32 H new ATOM 0 HA THR A 32 0.039 11.265 -6.659 1.00 2.42 H new ATOM 0 HB THR A 32 1.875 9.870 -7.478 1.00 75.14 H new ATOM 0 HG1 THR A 32 -0.808 8.979 -7.863 1.00 33.45 H new ATOM 0 HG21 THR A 32 1.907 7.436 -7.078 1.00 20.03 H new ATOM 0 HG22 THR A 32 2.089 8.355 -5.565 1.00 20.03 H new ATOM 0 HG23 THR A 32 0.526 7.606 -5.968 1.00 20.03 H new ATOM 468 N ASP A 33 -1.054 9.320 -4.375 1.00 44.23 N ATOM 469 CA ASP A 33 -2.234 8.694 -3.790 1.00 42.53 C ATOM 470 C ASP A 33 -3.173 9.745 -3.206 1.00 3.21 C ATOM 471 O ASP A 33 -4.056 9.429 -2.410 1.00 61.43 O ATOM 472 CB ASP A 33 -1.824 7.698 -2.704 1.00 42.44 C ATOM 473 CG ASP A 33 -1.072 8.360 -1.566 1.00 61.21 C ATOM 474 OD1 ASP A 33 -0.881 9.593 -1.619 1.00 31.41 O ATOM 475 OD2 ASP A 33 -0.673 7.644 -0.623 1.00 14.40 O ATOM 0 H ASP A 33 -0.274 9.437 -3.728 1.00 44.23 H new ATOM 0 HA ASP A 33 -2.762 8.160 -4.580 1.00 42.53 H new ATOM 0 HB2 ASP A 33 -2.714 7.207 -2.311 1.00 42.44 H new ATOM 0 HB3 ASP A 33 -1.200 6.921 -3.145 1.00 42.44 H new ATOM 480 N ASN A 34 -2.974 10.997 -3.606 1.00 0.01 N ATOM 481 CA ASN A 34 -3.802 12.095 -3.120 1.00 40.14 C ATOM 482 C ASN A 34 -3.627 12.285 -1.617 1.00 23.02 C ATOM 483 O ASN A 34 -4.430 12.955 -0.968 1.00 21.25 O ATOM 484 CB ASN A 34 -5.274 11.833 -3.445 1.00 12.15 C ATOM 485 CG ASN A 34 -5.453 11.059 -4.736 1.00 61.21 C ATOM 486 OD1 ASN A 34 -5.988 9.950 -4.739 1.00 51.23 O ATOM 487 ND2 ASN A 34 -5.004 11.641 -5.842 1.00 1.31 N ATOM 0 H ASN A 34 -2.247 11.276 -4.265 1.00 0.01 H new ATOM 0 HA ASN A 34 -3.483 13.008 -3.622 1.00 40.14 H new ATOM 0 HB2 ASN A 34 -5.731 11.278 -2.626 1.00 12.15 H new ATOM 0 HB3 ASN A 34 -5.802 12.784 -3.519 1.00 12.15 H new ATOM 0 HD21 ASN A 34 -5.096 11.168 -6.741 1.00 1.31 H new ATOM 0 HD22 ASN A 34 -4.567 12.561 -5.793 1.00 1.31 H new ATOM 494 N SER A 35 -2.571 11.691 -1.070 1.00 3.20 N ATOM 495 CA SER A 35 -2.291 11.792 0.358 1.00 51.04 C ATOM 496 C SER A 35 -1.155 12.776 0.621 1.00 53.24 C ATOM 497 O SER A 35 -0.016 12.548 0.218 1.00 63.53 O ATOM 498 CB SER A 35 -1.933 10.418 0.927 1.00 45.01 C ATOM 499 OG SER A 35 -2.022 10.413 2.341 1.00 21.22 O ATOM 0 H SER A 35 -1.895 11.135 -1.594 1.00 3.20 H new ATOM 0 HA SER A 35 -3.189 12.160 0.854 1.00 51.04 H new ATOM 0 HB2 SER A 35 -2.604 9.664 0.515 1.00 45.01 H new ATOM 0 HB3 SER A 35 -0.922 10.147 0.622 1.00 45.01 H new ATOM 0 HG SER A 35 -1.790 9.523 2.680 1.00 21.22 H new ATOM 505 N ASN A 36 -1.476 13.873 1.300 1.00 73.33 N ATOM 506 CA ASN A 36 -0.484 14.893 1.617 1.00 42.22 C ATOM 507 C ASN A 36 0.146 14.634 2.982 1.00 14.32 C ATOM 508 O ASN A 36 -0.526 14.189 3.912 1.00 32.44 O ATOM 509 CB ASN A 36 -1.125 16.282 1.593 1.00 1.33 C ATOM 510 CG ASN A 36 -1.595 16.679 0.207 1.00 34.42 C ATOM 511 OD1 ASN A 36 -2.020 15.834 -0.582 1.00 25.14 O ATOM 512 ND2 ASN A 36 -1.522 17.969 -0.096 1.00 1.42 N ATOM 0 H ASN A 36 -2.415 14.078 1.641 1.00 73.33 H new ATOM 0 HA ASN A 36 0.300 14.849 0.861 1.00 42.22 H new ATOM 0 HB2 ASN A 36 -1.971 16.300 2.280 1.00 1.33 H new ATOM 0 HB3 ASN A 36 -0.406 17.017 1.954 1.00 1.33 H new ATOM 0 HD21 ASN A 36 -1.825 18.295 -1.014 1.00 1.42 H new ATOM 0 HD22 ASN A 36 -1.163 18.634 0.589 1.00 1.42 H new ATOM 519 N SER A 37 1.439 14.918 3.095 1.00 64.43 N ATOM 520 CA SER A 37 2.161 14.713 4.345 1.00 31.32 C ATOM 521 C SER A 37 3.021 15.927 4.681 1.00 22.13 C ATOM 522 O SER A 37 3.506 16.624 3.790 1.00 65.43 O ATOM 523 CB SER A 37 3.037 13.462 4.254 1.00 43.02 C ATOM 524 OG SER A 37 2.434 12.475 3.436 1.00 73.04 O ATOM 0 H SER A 37 2.009 15.291 2.336 1.00 64.43 H new ATOM 0 HA SER A 37 1.428 14.577 5.141 1.00 31.32 H new ATOM 0 HB2 SER A 37 4.014 13.727 3.849 1.00 43.02 H new ATOM 0 HB3 SER A 37 3.205 13.058 5.253 1.00 43.02 H new ATOM 0 HG SER A 37 3.014 11.687 3.393 1.00 73.04 H new ATOM 530 N ASP A 38 3.206 16.174 5.973 1.00 35.15 N ATOM 531 CA ASP A 38 4.008 17.303 6.429 1.00 10.12 C ATOM 532 C ASP A 38 5.474 16.906 6.569 1.00 3.34 C ATOM 533 O ASP A 38 5.830 16.102 7.432 1.00 40.43 O ATOM 534 CB ASP A 38 3.478 17.826 7.765 1.00 4.23 C ATOM 535 CG ASP A 38 4.476 18.722 8.473 1.00 62.30 C ATOM 536 OD1 ASP A 38 4.887 19.739 7.877 1.00 62.34 O ATOM 537 OD2 ASP A 38 4.847 18.405 9.623 1.00 52.00 O ATOM 0 H ASP A 38 2.811 15.607 6.723 1.00 35.15 H new ATOM 0 HA ASP A 38 3.934 18.095 5.683 1.00 10.12 H new ATOM 0 HB2 ASP A 38 2.554 18.379 7.595 1.00 4.23 H new ATOM 0 HB3 ASP A 38 3.230 16.983 8.410 1.00 4.23 H new ATOM 542 N ILE A 39 6.320 17.474 5.716 1.00 13.20 N ATOM 543 CA ILE A 39 7.747 17.179 5.745 1.00 11.42 C ATOM 544 C ILE A 39 7.999 15.712 6.075 1.00 14.11 C ATOM 545 O ILE A 39 8.875 15.385 6.876 1.00 13.15 O ATOM 546 CB ILE A 39 8.482 18.059 6.774 1.00 64.32 C ATOM 547 CG1 ILE A 39 7.917 17.822 8.176 1.00 45.41 C ATOM 548 CG2 ILE A 39 8.370 19.527 6.392 1.00 50.10 C ATOM 549 CD1 ILE A 39 8.637 18.599 9.256 1.00 23.02 C ATOM 0 H ILE A 39 6.042 18.141 4.996 1.00 13.20 H new ATOM 0 HA ILE A 39 8.135 17.396 4.750 1.00 11.42 H new ATOM 0 HB ILE A 39 9.537 17.785 6.777 1.00 64.32 H new ATOM 0 HG12 ILE A 39 6.862 18.095 8.185 1.00 45.41 H new ATOM 0 HG13 ILE A 39 7.973 16.758 8.406 1.00 45.41 H new ATOM 0 HG21 ILE A 39 8.894 20.136 7.129 1.00 50.10 H new ATOM 0 HG22 ILE A 39 8.816 19.682 5.410 1.00 50.10 H new ATOM 0 HG23 ILE A 39 7.320 19.816 6.364 1.00 50.10 H new ATOM 0 HD11 ILE A 39 8.184 18.383 10.223 1.00 23.02 H new ATOM 0 HD12 ILE A 39 9.687 18.308 9.274 1.00 23.02 H new ATOM 0 HD13 ILE A 39 8.559 19.666 9.049 1.00 23.02 H new ATOM 561 N THR A 40 7.225 14.829 5.450 1.00 1.54 N ATOM 562 CA THR A 40 7.364 13.396 5.676 1.00 11.44 C ATOM 563 C THR A 40 8.778 12.924 5.359 1.00 41.24 C ATOM 564 O THR A 40 9.347 12.108 6.083 1.00 65.51 O ATOM 565 CB THR A 40 6.363 12.594 4.824 1.00 21.30 C ATOM 566 OG1 THR A 40 6.598 11.190 4.984 1.00 1.35 O ATOM 567 CG2 THR A 40 6.482 12.968 3.354 1.00 14.14 C ATOM 0 H THR A 40 6.496 15.082 4.783 1.00 1.54 H new ATOM 0 HA THR A 40 7.154 13.220 6.731 1.00 11.44 H new ATOM 0 HB THR A 40 5.356 12.835 5.164 1.00 21.30 H new ATOM 0 HG1 THR A 40 5.956 10.687 4.440 1.00 1.35 H new ATOM 0 HG21 THR A 40 5.765 12.389 2.772 1.00 14.14 H new ATOM 0 HG22 THR A 40 6.275 14.031 3.231 1.00 14.14 H new ATOM 0 HG23 THR A 40 7.492 12.753 3.004 1.00 14.14 H new ATOM 575 N ASP A 41 9.340 13.443 4.272 1.00 11.15 N ATOM 576 CA ASP A 41 10.689 13.075 3.860 1.00 44.43 C ATOM 577 C ASP A 41 11.723 13.995 4.502 1.00 45.03 C ATOM 578 O ASP A 41 12.910 13.928 4.183 1.00 61.34 O ATOM 579 CB ASP A 41 10.813 13.133 2.336 1.00 3.14 C ATOM 580 CG ASP A 41 11.288 11.821 1.744 1.00 24.11 C ATOM 581 OD1 ASP A 41 10.575 10.808 1.898 1.00 55.14 O ATOM 582 OD2 ASP A 41 12.375 11.807 1.128 1.00 73.43 O ATOM 0 H ASP A 41 8.882 14.119 3.661 1.00 11.15 H new ATOM 0 HA ASP A 41 10.879 12.055 4.194 1.00 44.43 H new ATOM 0 HB2 ASP A 41 9.846 13.394 1.905 1.00 3.14 H new ATOM 0 HB3 ASP A 41 11.509 13.926 2.061 1.00 3.14 H new ATOM 587 N GLN A 42 11.264 14.853 5.407 1.00 51.45 N ATOM 588 CA GLN A 42 12.149 15.788 6.091 1.00 25.45 C ATOM 589 C GLN A 42 12.795 16.752 5.101 1.00 35.34 C ATOM 590 O GLN A 42 13.836 16.453 4.517 1.00 71.03 O ATOM 591 CB GLN A 42 13.232 15.027 6.860 1.00 53.12 C ATOM 592 CG GLN A 42 12.908 14.831 8.332 1.00 24.22 C ATOM 593 CD GLN A 42 11.438 14.555 8.575 1.00 54.20 C ATOM 594 OE1 GLN A 42 10.980 13.418 8.459 1.00 31.11 O ATOM 595 NE2 GLN A 42 10.688 15.597 8.914 1.00 12.32 N ATOM 0 H GLN A 42 10.285 14.920 5.684 1.00 51.45 H new ATOM 0 HA GLN A 42 11.550 16.367 6.795 1.00 25.45 H new ATOM 0 HB2 GLN A 42 13.378 14.052 6.396 1.00 53.12 H new ATOM 0 HB3 GLN A 42 14.175 15.566 6.773 1.00 53.12 H new ATOM 0 HG2 GLN A 42 13.499 14.002 8.723 1.00 24.22 H new ATOM 0 HG3 GLN A 42 13.203 15.722 8.887 1.00 24.22 H new ATOM 0 HE21 GLN A 42 11.109 16.522 8.999 1.00 12.32 H new ATOM 0 HE22 GLN A 42 9.691 15.472 9.090 1.00 12.32 H new ATOM 604 N VAL A 43 12.169 17.910 4.917 1.00 33.14 N ATOM 605 CA VAL A 43 12.682 18.919 3.998 1.00 30.24 C ATOM 606 C VAL A 43 14.158 19.198 4.258 1.00 62.15 C ATOM 607 O VAL A 43 14.529 19.708 5.315 1.00 24.23 O ATOM 608 CB VAL A 43 11.894 20.237 4.114 1.00 35.24 C ATOM 609 CG1 VAL A 43 11.816 20.687 5.565 1.00 4.12 C ATOM 610 CG2 VAL A 43 12.526 21.314 3.246 1.00 22.22 C ATOM 0 H VAL A 43 11.306 18.173 5.392 1.00 33.14 H new ATOM 0 HA VAL A 43 12.562 18.520 2.991 1.00 30.24 H new ATOM 0 HB VAL A 43 10.878 20.065 3.757 1.00 35.24 H new ATOM 0 HG11 VAL A 43 11.256 21.620 5.627 1.00 4.12 H new ATOM 0 HG12 VAL A 43 11.314 19.922 6.157 1.00 4.12 H new ATOM 0 HG13 VAL A 43 12.823 20.842 5.952 1.00 4.12 H new ATOM 0 HG21 VAL A 43 11.956 22.238 3.340 1.00 22.22 H new ATOM 0 HG22 VAL A 43 13.553 21.486 3.569 1.00 22.22 H new ATOM 0 HG23 VAL A 43 12.523 20.991 2.205 1.00 22.22 H new ATOM 620 N THR A 44 14.998 18.861 3.284 1.00 65.30 N ATOM 621 CA THR A 44 16.435 19.074 3.406 1.00 10.12 C ATOM 622 C THR A 44 16.789 20.547 3.233 1.00 72.33 C ATOM 623 O THR A 44 16.405 21.175 2.246 1.00 65.54 O ATOM 624 CB THR A 44 17.216 18.245 2.370 1.00 63.42 C ATOM 625 OG1 THR A 44 16.497 17.046 2.058 1.00 12.43 O ATOM 626 CG2 THR A 44 18.600 17.890 2.893 1.00 60.31 C ATOM 0 H THR A 44 14.708 18.439 2.402 1.00 65.30 H new ATOM 0 HA THR A 44 16.718 18.750 4.407 1.00 10.12 H new ATOM 0 HB THR A 44 17.328 18.846 1.468 1.00 63.42 H new ATOM 0 HG1 THR A 44 15.813 17.241 1.384 1.00 12.43 H new ATOM 0 HG21 THR A 44 19.133 17.304 2.144 1.00 60.31 H new ATOM 0 HG22 THR A 44 19.156 18.804 3.102 1.00 60.31 H new ATOM 0 HG23 THR A 44 18.504 17.307 3.809 1.00 60.31 H new ATOM 634 N TRP A 45 17.522 21.091 4.197 1.00 51.43 N ATOM 635 CA TRP A 45 17.928 22.492 4.149 1.00 21.52 C ATOM 636 C TRP A 45 19.348 22.629 3.611 1.00 72.54 C ATOM 637 O TRP A 45 20.192 21.760 3.831 1.00 32.23 O ATOM 638 CB TRP A 45 17.835 23.118 5.541 1.00 13.43 C ATOM 639 CG TRP A 45 18.537 22.322 6.599 1.00 11.45 C ATOM 640 CD1 TRP A 45 18.003 21.325 7.365 1.00 52.33 C ATOM 641 CD2 TRP A 45 19.902 22.459 7.010 1.00 72.51 C ATOM 642 NE1 TRP A 45 18.954 20.833 8.226 1.00 15.43 N ATOM 643 CE2 TRP A 45 20.127 21.511 8.028 1.00 42.22 C ATOM 644 CE3 TRP A 45 20.956 23.287 6.615 1.00 31.33 C ATOM 645 CZ2 TRP A 45 21.363 21.372 8.655 1.00 55.42 C ATOM 646 CZ3 TRP A 45 22.181 23.148 7.239 1.00 63.11 C ATOM 647 CH2 TRP A 45 22.377 22.196 8.249 1.00 52.43 C ATOM 0 H TRP A 45 17.847 20.585 5.021 1.00 51.43 H new ATOM 0 HA TRP A 45 17.252 23.018 3.475 1.00 21.52 H new ATOM 0 HB2 TRP A 45 18.260 24.121 5.509 1.00 13.43 H new ATOM 0 HB3 TRP A 45 16.785 23.225 5.814 1.00 13.43 H new ATOM 0 HD1 TRP A 45 16.983 20.975 7.303 1.00 52.33 H new ATOM 0 HE1 TRP A 45 18.810 20.084 8.903 1.00 15.43 H new ATOM 0 HE3 TRP A 45 20.816 24.022 5.836 1.00 31.33 H new ATOM 0 HZ2 TRP A 45 21.516 20.640 9.434 1.00 55.42 H new ATOM 0 HZ3 TRP A 45 23.002 23.784 6.943 1.00 63.11 H new ATOM 0 HH2 TRP A 45 23.347 22.111 8.716 1.00 52.43 H new ATOM 658 N ASP A 46 19.605 23.724 2.904 1.00 32.22 N ATOM 659 CA ASP A 46 20.924 23.975 2.335 1.00 32.41 C ATOM 660 C ASP A 46 21.178 25.472 2.191 1.00 75.03 C ATOM 661 O ASP A 46 20.267 26.239 1.878 1.00 34.34 O ATOM 662 CB ASP A 46 21.054 23.289 0.974 1.00 4.12 C ATOM 663 CG ASP A 46 21.893 22.028 1.039 1.00 21.24 C ATOM 664 OD1 ASP A 46 23.113 22.139 1.279 1.00 64.01 O ATOM 665 OD2 ASP A 46 21.329 20.929 0.850 1.00 2.40 O ATOM 0 H ASP A 46 18.917 24.452 2.711 1.00 32.22 H new ATOM 0 HA ASP A 46 21.670 23.562 3.014 1.00 32.41 H new ATOM 0 HB2 ASP A 46 20.061 23.042 0.598 1.00 4.12 H new ATOM 0 HB3 ASP A 46 21.501 23.983 0.262 1.00 4.12 H new ATOM 670 N SER A 47 22.421 25.881 2.421 1.00 11.33 N ATOM 671 CA SER A 47 22.794 27.288 2.322 1.00 74.42 C ATOM 672 C SER A 47 24.017 27.463 1.428 1.00 44.31 C ATOM 673 O SER A 47 24.877 26.585 1.354 1.00 1.51 O ATOM 674 CB SER A 47 23.076 27.862 3.711 1.00 23.34 C ATOM 675 OG SER A 47 24.198 28.728 3.687 1.00 73.21 O ATOM 0 H SER A 47 23.187 25.259 2.677 1.00 11.33 H new ATOM 0 HA SER A 47 21.959 27.830 1.877 1.00 74.42 H new ATOM 0 HB2 SER A 47 22.201 28.405 4.068 1.00 23.34 H new ATOM 0 HB3 SER A 47 23.255 27.049 4.414 1.00 23.34 H new ATOM 0 HG SER A 47 24.553 28.829 4.595 1.00 73.21 H new ATOM 681 N SER A 48 24.088 28.604 0.750 1.00 42.50 N ATOM 682 CA SER A 48 25.204 28.895 -0.143 1.00 0.34 C ATOM 683 C SER A 48 26.418 29.378 0.645 1.00 22.01 C ATOM 684 O SER A 48 27.532 29.424 0.124 1.00 74.22 O ATOM 685 CB SER A 48 24.798 29.950 -1.174 1.00 4.45 C ATOM 686 OG SER A 48 24.619 29.370 -2.454 1.00 3.12 O ATOM 0 H SER A 48 23.386 29.342 0.802 1.00 42.50 H new ATOM 0 HA SER A 48 25.472 27.975 -0.662 1.00 0.34 H new ATOM 0 HB2 SER A 48 23.874 30.435 -0.858 1.00 4.45 H new ATOM 0 HB3 SER A 48 25.563 30.725 -1.226 1.00 4.45 H new ATOM 0 HG SER A 48 24.516 30.079 -3.123 1.00 3.12 H new ATOM 692 N ASN A 49 26.194 29.737 1.905 1.00 52.21 N ATOM 693 CA ASN A 49 27.269 30.217 2.766 1.00 54.42 C ATOM 694 C ASN A 49 27.787 31.569 2.286 1.00 43.53 C ATOM 695 O ASN A 49 27.707 31.893 1.100 1.00 21.01 O ATOM 696 CB ASN A 49 28.413 29.203 2.802 1.00 64.15 C ATOM 697 CG ASN A 49 29.198 29.262 4.098 1.00 44.44 C ATOM 698 OD1 ASN A 49 30.415 29.448 4.091 1.00 4.42 O ATOM 699 ND2 ASN A 49 28.503 29.104 5.218 1.00 43.10 N ATOM 0 H ASN A 49 25.278 29.705 2.352 1.00 52.21 H new ATOM 0 HA ASN A 49 26.869 30.338 3.773 1.00 54.42 H new ATOM 0 HB2 ASN A 49 28.009 28.199 2.671 1.00 64.15 H new ATOM 0 HB3 ASN A 49 29.085 29.388 1.964 1.00 64.15 H new ATOM 0 HD21 ASN A 49 28.977 29.134 6.121 1.00 43.10 H new ATOM 0 HD22 ASN A 49 27.495 28.952 5.176 1.00 43.10 H new ATOM 706 N THR A 50 28.320 32.357 3.215 1.00 65.30 N ATOM 707 CA THR A 50 28.852 33.674 2.888 1.00 71.32 C ATOM 708 C THR A 50 29.796 34.171 3.976 1.00 1.42 C ATOM 709 O THR A 50 31.014 34.184 3.797 1.00 60.51 O ATOM 710 CB THR A 50 27.723 34.703 2.694 1.00 75.13 C ATOM 711 OG1 THR A 50 26.872 34.299 1.615 1.00 50.32 O ATOM 712 CG2 THR A 50 28.292 36.084 2.408 1.00 43.14 C ATOM 0 H THR A 50 28.395 32.105 4.201 1.00 65.30 H new ATOM 0 HA THR A 50 29.403 33.569 1.953 1.00 71.32 H new ATOM 0 HB THR A 50 27.143 34.751 3.616 1.00 75.13 H new ATOM 0 HG1 THR A 50 27.288 33.555 1.131 1.00 50.32 H new ATOM 0 HG21 THR A 50 27.475 36.794 2.275 1.00 43.14 H new ATOM 0 HG22 THR A 50 28.915 36.401 3.244 1.00 43.14 H new ATOM 0 HG23 THR A 50 28.894 36.049 1.500 1.00 43.14 H new ATOM 720 N ASP A 51 29.227 34.581 5.105 1.00 70.34 N ATOM 721 CA ASP A 51 30.019 35.078 6.224 1.00 52.23 C ATOM 722 C ASP A 51 29.716 34.292 7.495 1.00 24.34 C ATOM 723 O ASP A 51 30.622 33.954 8.258 1.00 64.42 O ATOM 724 CB ASP A 51 29.742 36.565 6.451 1.00 41.12 C ATOM 725 CG ASP A 51 31.015 37.379 6.572 1.00 44.13 C ATOM 726 OD1 ASP A 51 31.634 37.354 7.656 1.00 42.31 O ATOM 727 OD2 ASP A 51 31.393 38.042 5.582 1.00 33.34 O ATOM 0 H ASP A 51 28.220 34.579 5.269 1.00 70.34 H new ATOM 0 HA ASP A 51 31.073 34.946 5.979 1.00 52.23 H new ATOM 0 HB2 ASP A 51 29.145 36.951 5.625 1.00 41.12 H new ATOM 0 HB3 ASP A 51 29.149 36.687 7.357 1.00 41.12 H new ATOM 732 N ILE A 52 28.438 34.005 7.718 1.00 42.12 N ATOM 733 CA ILE A 52 28.017 33.259 8.897 1.00 61.11 C ATOM 734 C ILE A 52 26.503 33.076 8.920 1.00 24.11 C ATOM 735 O ILE A 52 25.769 33.945 9.391 1.00 0.52 O ATOM 736 CB ILE A 52 28.458 33.961 10.195 1.00 41.13 C ATOM 737 CG1 ILE A 52 27.834 33.273 11.410 1.00 35.13 C ATOM 738 CG2 ILE A 52 28.074 35.433 10.157 1.00 25.23 C ATOM 739 CD1 ILE A 52 28.127 31.791 11.482 1.00 34.33 C ATOM 0 H ILE A 52 27.676 34.278 7.097 1.00 42.12 H new ATOM 0 HA ILE A 52 28.498 32.282 8.841 1.00 61.11 H new ATOM 0 HB ILE A 52 29.542 33.890 10.279 1.00 41.13 H new ATOM 0 HG12 ILE A 52 28.202 33.752 12.317 1.00 35.13 H new ATOM 0 HG13 ILE A 52 26.754 33.421 11.386 1.00 35.13 H new ATOM 0 HG21 ILE A 52 28.392 35.916 11.081 1.00 25.23 H new ATOM 0 HG22 ILE A 52 28.562 35.914 9.309 1.00 25.23 H new ATOM 0 HG23 ILE A 52 26.993 35.524 10.053 1.00 25.23 H new ATOM 0 HD11 ILE A 52 27.653 31.369 12.368 1.00 34.33 H new ATOM 0 HD12 ILE A 52 27.735 31.299 10.592 1.00 34.33 H new ATOM 0 HD13 ILE A 52 29.204 31.635 11.537 1.00 34.33 H new ATOM 751 N LEU A 53 26.043 31.939 8.410 1.00 13.14 N ATOM 752 CA LEU A 53 24.615 31.640 8.374 1.00 23.10 C ATOM 753 C LEU A 53 24.367 30.146 8.554 1.00 23.33 C ATOM 754 O LEU A 53 25.116 29.315 8.040 1.00 44.54 O ATOM 755 CB LEU A 53 24.008 32.113 7.052 1.00 5.31 C ATOM 756 CG LEU A 53 24.513 31.409 5.792 1.00 53.42 C ATOM 757 CD1 LEU A 53 23.400 31.298 4.761 1.00 42.51 C ATOM 758 CD2 LEU A 53 25.709 32.149 5.211 1.00 61.45 C ATOM 0 H LEU A 53 26.637 31.209 8.016 1.00 13.14 H new ATOM 0 HA LEU A 53 24.137 32.171 9.197 1.00 23.10 H new ATOM 0 HB2 LEU A 53 22.927 31.987 7.106 1.00 5.31 H new ATOM 0 HB3 LEU A 53 24.199 33.181 6.949 1.00 5.31 H new ATOM 0 HG LEU A 53 24.831 30.402 6.063 1.00 53.42 H new ATOM 0 HD11 LEU A 53 23.777 30.794 3.871 1.00 42.51 H new ATOM 0 HD12 LEU A 53 22.573 30.725 5.179 1.00 42.51 H new ATOM 0 HD13 LEU A 53 23.051 32.295 4.493 1.00 42.51 H new ATOM 0 HD21 LEU A 53 26.055 31.634 4.315 1.00 61.45 H new ATOM 0 HD22 LEU A 53 25.417 33.167 4.954 1.00 61.45 H new ATOM 0 HD23 LEU A 53 26.513 32.176 5.947 1.00 61.45 H new ATOM 770 N SER A 54 23.310 29.811 9.287 1.00 71.44 N ATOM 771 CA SER A 54 22.964 28.416 9.536 1.00 13.31 C ATOM 772 C SER A 54 21.459 28.198 9.405 1.00 3.34 C ATOM 773 O SER A 54 20.661 29.037 9.824 1.00 1.13 O ATOM 774 CB SER A 54 23.432 27.994 10.930 1.00 65.22 C ATOM 775 OG SER A 54 23.746 26.612 10.965 1.00 10.34 O ATOM 0 H SER A 54 22.679 30.486 9.719 1.00 71.44 H new ATOM 0 HA SER A 54 23.469 27.803 8.790 1.00 13.31 H new ATOM 0 HB2 SER A 54 24.308 28.577 11.215 1.00 65.22 H new ATOM 0 HB3 SER A 54 22.653 28.212 11.660 1.00 65.22 H new ATOM 0 HG SER A 54 24.044 26.367 11.866 1.00 10.34 H new ATOM 781 N ILE A 55 21.080 27.067 8.822 1.00 65.55 N ATOM 782 CA ILE A 55 19.673 26.737 8.636 1.00 13.12 C ATOM 783 C ILE A 55 19.292 25.488 9.424 1.00 1.21 C ATOM 784 O ILE A 55 19.942 24.449 9.312 1.00 71.23 O ATOM 785 CB ILE A 55 19.338 26.515 7.150 1.00 74.44 C ATOM 786 CG1 ILE A 55 20.001 27.591 6.288 1.00 15.31 C ATOM 787 CG2 ILE A 55 17.831 26.515 6.941 1.00 74.14 C ATOM 788 CD1 ILE A 55 19.611 29.000 6.677 1.00 43.54 C ATOM 0 H ILE A 55 21.728 26.363 8.470 1.00 65.55 H new ATOM 0 HA ILE A 55 19.099 27.586 9.006 1.00 13.12 H new ATOM 0 HB ILE A 55 19.727 25.543 6.847 1.00 74.44 H new ATOM 0 HG12 ILE A 55 21.084 27.489 6.362 1.00 15.31 H new ATOM 0 HG13 ILE A 55 19.735 27.424 5.244 1.00 15.31 H new ATOM 0 HG21 ILE A 55 17.610 26.357 5.885 1.00 74.14 H new ATOM 0 HG22 ILE A 55 17.382 25.715 7.529 1.00 74.14 H new ATOM 0 HG23 ILE A 55 17.420 27.473 7.258 1.00 74.14 H new ATOM 0 HD11 ILE A 55 20.118 29.711 6.025 1.00 43.54 H new ATOM 0 HD12 ILE A 55 18.532 29.120 6.576 1.00 43.54 H new ATOM 0 HD13 ILE A 55 19.902 29.186 7.711 1.00 43.54 H new ATOM 800 N SER A 56 18.233 25.597 10.220 1.00 5.45 N ATOM 801 CA SER A 56 17.767 24.477 11.029 1.00 15.31 C ATOM 802 C SER A 56 16.298 24.178 10.746 1.00 54.00 C ATOM 803 O SER A 56 15.424 25.004 11.005 1.00 35.15 O ATOM 804 CB SER A 56 17.960 24.779 12.516 1.00 12.24 C ATOM 805 OG SER A 56 18.661 25.996 12.703 1.00 51.51 O ATOM 0 H SER A 56 17.682 26.449 10.322 1.00 5.45 H new ATOM 0 HA SER A 56 18.357 23.599 10.765 1.00 15.31 H new ATOM 0 HB2 SER A 56 16.989 24.836 13.008 1.00 12.24 H new ATOM 0 HB3 SER A 56 18.509 23.964 12.988 1.00 12.24 H new ATOM 0 HG SER A 56 18.770 26.167 13.662 1.00 51.51 H new ATOM 811 N ASN A 57 16.035 22.990 10.212 1.00 74.15 N ATOM 812 CA ASN A 57 14.672 22.580 9.892 1.00 51.31 C ATOM 813 C ASN A 57 14.259 21.368 10.722 1.00 43.41 C ATOM 814 O ASN A 57 13.071 21.108 10.910 1.00 25.42 O ATOM 815 CB ASN A 57 14.551 22.257 8.401 1.00 33.24 C ATOM 816 CG ASN A 57 14.829 23.462 7.524 1.00 63.32 C ATOM 817 OD1 ASN A 57 15.407 24.451 7.974 1.00 40.20 O ATOM 818 ND2 ASN A 57 14.418 23.383 6.264 1.00 41.35 N ATOM 0 H ASN A 57 16.747 22.294 9.992 1.00 74.15 H new ATOM 0 HA ASN A 57 14.004 23.407 10.133 1.00 51.31 H new ATOM 0 HB2 ASN A 57 15.248 21.458 8.147 1.00 33.24 H new ATOM 0 HB3 ASN A 57 13.548 21.883 8.193 1.00 33.24 H new ATOM 0 HD21 ASN A 57 14.578 24.162 5.626 1.00 41.35 H new ATOM 0 HD22 ASN A 57 13.943 22.543 5.934 1.00 41.35 H new ATOM 825 N ALA A 58 15.249 20.632 11.216 1.00 30.12 N ATOM 826 CA ALA A 58 14.989 19.450 12.028 1.00 24.51 C ATOM 827 C ALA A 58 14.879 19.811 13.505 1.00 12.53 C ATOM 828 O ALA A 58 14.847 18.934 14.368 1.00 4.44 O ATOM 829 CB ALA A 58 16.084 18.414 11.817 1.00 33.30 C ATOM 0 H ALA A 58 16.238 20.833 11.068 1.00 30.12 H new ATOM 0 HA ALA A 58 14.036 19.026 11.713 1.00 24.51 H new ATOM 0 HB1 ALA A 58 15.877 17.536 12.429 1.00 33.30 H new ATOM 0 HB2 ALA A 58 16.114 18.125 10.767 1.00 33.30 H new ATOM 0 HB3 ALA A 58 17.046 18.838 12.104 1.00 33.30 H new ATOM 835 N SER A 59 14.821 21.109 13.789 1.00 32.33 N ATOM 836 CA SER A 59 14.718 21.587 15.163 1.00 23.41 C ATOM 837 C SER A 59 13.522 20.957 15.870 1.00 72.44 C ATOM 838 O SER A 59 13.497 20.848 17.096 1.00 43.22 O ATOM 839 CB SER A 59 14.594 23.111 15.187 1.00 4.32 C ATOM 840 OG SER A 59 13.499 23.546 14.400 1.00 44.40 O ATOM 0 H SER A 59 14.844 21.848 13.086 1.00 32.33 H new ATOM 0 HA SER A 59 15.625 21.295 15.692 1.00 23.41 H new ATOM 0 HB2 SER A 59 14.466 23.452 16.214 1.00 4.32 H new ATOM 0 HB3 SER A 59 15.515 23.560 14.814 1.00 4.32 H new ATOM 0 HG SER A 59 13.440 24.524 14.433 1.00 44.40 H new ATOM 846 N ASP A 60 12.531 20.543 15.087 1.00 64.20 N ATOM 847 CA ASP A 60 11.331 19.922 15.636 1.00 43.31 C ATOM 848 C ASP A 60 10.365 19.529 14.523 1.00 41.23 C ATOM 849 O ASP A 60 9.680 18.511 14.613 1.00 35.22 O ATOM 850 CB ASP A 60 10.641 20.874 16.615 1.00 64.15 C ATOM 851 CG ASP A 60 9.209 20.470 16.902 1.00 32.34 C ATOM 852 OD1 ASP A 60 8.956 19.258 17.064 1.00 31.24 O ATOM 853 OD2 ASP A 60 8.340 21.365 16.965 1.00 44.32 O ATOM 0 H ASP A 60 12.535 20.626 14.070 1.00 64.20 H new ATOM 0 HA ASP A 60 11.630 19.019 16.169 1.00 43.31 H new ATOM 0 HB2 ASP A 60 11.202 20.900 17.549 1.00 64.15 H new ATOM 0 HB3 ASP A 60 10.656 21.884 16.206 1.00 64.15 H new ATOM 858 N SER A 61 10.316 20.344 13.474 1.00 54.12 N ATOM 859 CA SER A 61 9.430 20.084 12.345 1.00 13.21 C ATOM 860 C SER A 61 9.497 21.220 11.329 1.00 12.30 C ATOM 861 O SER A 61 10.101 21.082 10.265 1.00 52.22 O ATOM 862 CB SER A 61 7.990 19.903 12.830 1.00 2.25 C ATOM 863 OG SER A 61 7.663 20.860 13.823 1.00 34.12 O ATOM 0 H SER A 61 10.879 21.190 13.382 1.00 54.12 H new ATOM 0 HA SER A 61 9.761 19.166 11.860 1.00 13.21 H new ATOM 0 HB2 SER A 61 7.304 19.999 11.988 1.00 2.25 H new ATOM 0 HB3 SER A 61 7.862 18.898 13.232 1.00 2.25 H new ATOM 0 HG SER A 61 6.738 20.725 14.116 1.00 34.12 H new ATOM 869 N HIS A 62 8.872 22.344 11.665 1.00 13.33 N ATOM 870 CA HIS A 62 8.860 23.506 10.783 1.00 21.13 C ATOM 871 C HIS A 62 10.281 23.925 10.418 1.00 71.44 C ATOM 872 O HIS A 62 11.212 23.746 11.201 1.00 24.30 O ATOM 873 CB HIS A 62 8.128 24.671 11.450 1.00 41.24 C ATOM 874 CG HIS A 62 8.856 25.241 12.628 1.00 21.41 C ATOM 875 ND1 HIS A 62 9.649 24.481 13.462 1.00 71.41 N ATOM 876 CD2 HIS A 62 8.909 26.504 13.110 1.00 44.53 C ATOM 877 CE1 HIS A 62 10.157 25.252 14.406 1.00 0.04 C ATOM 878 NE2 HIS A 62 9.724 26.485 14.215 1.00 41.10 N ATOM 0 H HIS A 62 8.367 22.475 12.542 1.00 13.33 H new ATOM 0 HA HIS A 62 8.334 23.232 9.868 1.00 21.13 H new ATOM 0 HB2 HIS A 62 7.971 25.460 10.714 1.00 41.24 H new ATOM 0 HB3 HIS A 62 7.142 24.334 11.771 1.00 41.24 H new ATOM 0 HD2 HIS A 62 8.404 27.367 12.702 1.00 44.53 H new ATOM 0 HE1 HIS A 62 10.815 24.929 15.199 1.00 0.04 H new ATOM 0 HE2 HIS A 62 9.957 27.292 14.794 1.00 41.10 H new ATOM 886 N GLY A 63 10.439 24.483 9.221 1.00 21.50 N ATOM 887 CA GLY A 63 11.749 24.917 8.772 1.00 21.24 C ATOM 888 C GLY A 63 12.042 26.356 9.146 1.00 2.21 C ATOM 889 O GLY A 63 11.134 27.185 9.213 1.00 12.45 O ATOM 0 H GLY A 63 9.683 24.642 8.555 1.00 21.50 H new ATOM 0 HA2 GLY A 63 12.511 24.270 9.206 1.00 21.24 H new ATOM 0 HA3 GLY A 63 11.814 24.806 7.690 1.00 21.24 H new ATOM 893 N LEU A 64 13.313 26.655 9.392 1.00 61.14 N ATOM 894 CA LEU A 64 13.724 28.005 9.763 1.00 70.44 C ATOM 895 C LEU A 64 15.131 28.304 9.257 1.00 65.15 C ATOM 896 O LEU A 64 15.885 27.393 8.914 1.00 2.42 O ATOM 897 CB LEU A 64 13.669 28.176 11.282 1.00 54.44 C ATOM 898 CG LEU A 64 12.324 27.870 11.943 1.00 5.22 C ATOM 899 CD1 LEU A 64 12.200 26.383 12.235 1.00 74.10 C ATOM 900 CD2 LEU A 64 12.161 28.682 13.220 1.00 25.32 C ATOM 0 H LEU A 64 14.077 25.981 9.341 1.00 61.14 H new ATOM 0 HA LEU A 64 13.034 28.709 9.299 1.00 70.44 H new ATOM 0 HB2 LEU A 64 14.426 27.531 11.728 1.00 54.44 H new ATOM 0 HB3 LEU A 64 13.944 29.203 11.522 1.00 54.44 H new ATOM 0 HG LEU A 64 11.528 28.152 11.253 1.00 5.22 H new ATOM 0 HD11 LEU A 64 11.237 26.184 12.705 1.00 74.10 H new ATOM 0 HD12 LEU A 64 12.272 25.822 11.303 1.00 74.10 H new ATOM 0 HD13 LEU A 64 13.002 26.076 12.906 1.00 74.10 H new ATOM 0 HD21 LEU A 64 11.199 28.452 13.677 1.00 25.32 H new ATOM 0 HD22 LEU A 64 12.962 28.431 13.915 1.00 25.32 H new ATOM 0 HD23 LEU A 64 12.205 29.745 12.983 1.00 25.32 H new ATOM 912 N ALA A 65 15.479 29.586 9.214 1.00 24.22 N ATOM 913 CA ALA A 65 16.798 30.005 8.754 1.00 34.24 C ATOM 914 C ALA A 65 17.293 31.216 9.537 1.00 15.30 C ATOM 915 O ALA A 65 16.545 32.168 9.765 1.00 22.40 O ATOM 916 CB ALA A 65 16.763 30.314 7.265 1.00 3.20 C ATOM 0 H ALA A 65 14.866 30.352 9.492 1.00 24.22 H new ATOM 0 HA ALA A 65 17.494 29.185 8.927 1.00 34.24 H new ATOM 0 HB1 ALA A 65 17.754 30.626 6.935 1.00 3.20 H new ATOM 0 HB2 ALA A 65 16.461 29.422 6.715 1.00 3.20 H new ATOM 0 HB3 ALA A 65 16.049 31.116 7.076 1.00 3.20 H new ATOM 922 N SER A 66 18.556 31.174 9.947 1.00 43.54 N ATOM 923 CA SER A 66 19.150 32.267 10.708 1.00 13.41 C ATOM 924 C SER A 66 20.485 32.689 10.103 1.00 51.25 C ATOM 925 O SER A 66 21.462 31.940 10.138 1.00 35.23 O ATOM 926 CB SER A 66 19.347 31.852 12.167 1.00 10.23 C ATOM 927 OG SER A 66 19.597 32.979 12.989 1.00 52.40 O ATOM 0 H SER A 66 19.188 30.395 9.765 1.00 43.54 H new ATOM 0 HA SER A 66 18.469 33.117 10.668 1.00 13.41 H new ATOM 0 HB2 SER A 66 18.459 31.329 12.522 1.00 10.23 H new ATOM 0 HB3 SER A 66 20.180 31.153 12.240 1.00 10.23 H new ATOM 0 HG SER A 66 19.718 32.687 13.917 1.00 52.40 H new ATOM 933 N THR A 67 20.520 33.896 9.546 1.00 62.15 N ATOM 934 CA THR A 67 21.734 34.419 8.931 1.00 73.34 C ATOM 935 C THR A 67 22.183 35.707 9.610 1.00 41.31 C ATOM 936 O THR A 67 21.363 36.470 10.122 1.00 54.11 O ATOM 937 CB THR A 67 21.531 34.688 7.428 1.00 71.24 C ATOM 938 OG1 THR A 67 22.466 35.674 6.976 1.00 62.52 O ATOM 939 CG2 THR A 67 20.113 35.162 7.149 1.00 15.14 C ATOM 0 H THR A 67 19.721 34.530 9.508 1.00 62.15 H new ATOM 0 HA THR A 67 22.505 33.658 9.056 1.00 73.34 H new ATOM 0 HB THR A 67 21.698 33.755 6.889 1.00 71.24 H new ATOM 0 HG1 THR A 67 22.465 35.701 5.996 1.00 62.52 H new ATOM 0 HG21 THR A 67 19.994 35.345 6.081 1.00 15.14 H new ATOM 0 HG22 THR A 67 19.405 34.397 7.467 1.00 15.14 H new ATOM 0 HG23 THR A 67 19.923 36.084 7.699 1.00 15.14 H new ATOM 947 N LEU A 68 23.490 35.945 9.611 1.00 40.22 N ATOM 948 CA LEU A 68 24.049 37.143 10.227 1.00 1.51 C ATOM 949 C LEU A 68 25.282 37.623 9.467 1.00 75.53 C ATOM 950 O LEU A 68 26.363 37.755 10.038 1.00 12.12 O ATOM 951 CB LEU A 68 24.412 36.868 11.687 1.00 31.14 C ATOM 952 CG LEU A 68 23.490 35.906 12.438 1.00 42.10 C ATOM 953 CD1 LEU A 68 23.926 34.466 12.216 1.00 42.23 C ATOM 954 CD2 LEU A 68 23.471 36.236 13.923 1.00 13.24 C ATOM 0 H LEU A 68 24.182 35.324 9.192 1.00 40.22 H new ATOM 0 HA LEU A 68 23.293 37.927 10.188 1.00 1.51 H new ATOM 0 HB2 LEU A 68 25.425 36.468 11.719 1.00 31.14 H new ATOM 0 HB3 LEU A 68 24.427 37.818 12.222 1.00 31.14 H new ATOM 0 HG LEU A 68 22.479 36.022 12.047 1.00 42.10 H new ATOM 0 HD11 LEU A 68 23.258 33.796 12.758 1.00 42.23 H new ATOM 0 HD12 LEU A 68 23.887 34.234 11.152 1.00 42.23 H new ATOM 0 HD13 LEU A 68 24.945 34.334 12.579 1.00 42.23 H new ATOM 0 HD21 LEU A 68 22.810 35.542 14.442 1.00 13.24 H new ATOM 0 HD22 LEU A 68 24.479 36.148 14.328 1.00 13.24 H new ATOM 0 HD23 LEU A 68 23.110 37.255 14.065 1.00 13.24 H new ATOM 966 N ASN A 69 25.109 37.883 8.175 1.00 63.53 N ATOM 967 CA ASN A 69 26.207 38.349 7.336 1.00 65.11 C ATOM 968 C ASN A 69 25.887 39.711 6.728 1.00 3.23 C ATOM 969 O ASN A 69 24.778 40.222 6.877 1.00 13.23 O ATOM 970 CB ASN A 69 26.493 37.337 6.225 1.00 63.24 C ATOM 971 CG ASN A 69 25.236 36.643 5.737 1.00 0.00 C ATOM 972 OD1 ASN A 69 24.441 37.223 4.997 1.00 63.43 O ATOM 973 ND2 ASN A 69 25.050 35.395 6.152 1.00 44.24 N ATOM 0 H ASN A 69 24.220 37.779 7.687 1.00 63.53 H new ATOM 0 HA ASN A 69 27.093 38.450 7.963 1.00 65.11 H new ATOM 0 HB2 ASN A 69 26.972 37.846 5.388 1.00 63.24 H new ATOM 0 HB3 ASN A 69 27.198 36.591 6.590 1.00 63.24 H new ATOM 0 HD21 ASN A 69 24.222 34.878 5.858 1.00 44.24 H new ATOM 0 HD22 ASN A 69 25.736 34.954 6.765 1.00 44.24 H new ATOM 980 N GLN A 70 26.867 40.292 6.043 1.00 13.41 N ATOM 981 CA GLN A 70 26.689 41.595 5.413 1.00 12.31 C ATOM 982 C GLN A 70 26.653 41.465 3.894 1.00 10.10 C ATOM 983 O GLN A 70 27.188 42.309 3.176 1.00 73.22 O ATOM 984 CB GLN A 70 27.814 42.544 5.829 1.00 10.41 C ATOM 985 CG GLN A 70 28.128 42.501 7.316 1.00 54.40 C ATOM 986 CD GLN A 70 29.322 43.359 7.686 1.00 52.15 C ATOM 987 OE1 GLN A 70 29.627 44.342 7.010 1.00 1.53 O ATOM 988 NE2 GLN A 70 30.005 42.991 8.763 1.00 71.51 N ATOM 0 H GLN A 70 27.791 39.882 5.910 1.00 13.41 H new ATOM 0 HA GLN A 70 25.736 42.005 5.747 1.00 12.31 H new ATOM 0 HB2 GLN A 70 28.715 42.294 5.269 1.00 10.41 H new ATOM 0 HB3 GLN A 70 27.540 43.562 5.553 1.00 10.41 H new ATOM 0 HG2 GLN A 70 27.256 42.837 7.877 1.00 54.40 H new ATOM 0 HG3 GLN A 70 28.320 41.470 7.613 1.00 54.40 H new ATOM 0 HE21 GLN A 70 29.716 42.169 9.294 1.00 71.51 H new ATOM 0 HE22 GLN A 70 30.818 43.530 9.060 1.00 71.51 H new ATOM 997 N GLY A 71 26.019 40.401 3.411 1.00 71.12 N ATOM 998 CA GLY A 71 25.926 40.179 1.980 1.00 53.44 C ATOM 999 C GLY A 71 24.645 39.471 1.585 1.00 62.13 C ATOM 1000 O GLY A 71 23.598 39.683 2.194 1.00 55.14 O ATOM 0 H GLY A 71 25.568 39.689 3.985 1.00 71.12 H new ATOM 0 HA2 GLY A 71 25.983 41.137 1.462 1.00 53.44 H new ATOM 0 HA3 GLY A 71 26.781 39.588 1.651 1.00 53.44 H new ATOM 1004 N ASN A 72 24.729 38.627 0.561 1.00 51.51 N ATOM 1005 CA ASN A 72 23.567 37.887 0.084 1.00 73.12 C ATOM 1006 C ASN A 72 23.791 36.383 0.208 1.00 23.04 C ATOM 1007 O ASN A 72 24.803 35.855 -0.254 1.00 31.03 O ATOM 1008 CB ASN A 72 23.267 38.250 -1.372 1.00 12.21 C ATOM 1009 CG ASN A 72 21.951 37.670 -1.854 1.00 22.55 C ATOM 1010 OD1 ASN A 72 21.832 36.462 -2.061 1.00 32.12 O ATOM 1011 ND2 ASN A 72 20.956 38.530 -2.034 1.00 72.21 N ATOM 0 H ASN A 72 25.589 38.439 0.046 1.00 51.51 H new ATOM 0 HA ASN A 72 22.714 38.162 0.704 1.00 73.12 H new ATOM 0 HB2 ASN A 72 23.242 39.335 -1.475 1.00 12.21 H new ATOM 0 HB3 ASN A 72 24.075 37.888 -2.008 1.00 12.21 H new ATOM 0 HD21 ASN A 72 20.047 38.198 -2.357 1.00 72.21 H new ATOM 0 HD22 ASN A 72 21.100 39.523 -1.850 1.00 72.21 H new ATOM 1018 N VAL A 73 22.840 35.698 0.836 1.00 42.04 N ATOM 1019 CA VAL A 73 22.933 34.255 1.020 1.00 74.32 C ATOM 1020 C VAL A 73 21.861 33.528 0.215 1.00 41.24 C ATOM 1021 O VAL A 73 20.708 33.956 0.166 1.00 12.40 O ATOM 1022 CB VAL A 73 22.794 33.868 2.504 1.00 10.33 C ATOM 1023 CG1 VAL A 73 23.834 34.594 3.344 1.00 21.54 C ATOM 1024 CG2 VAL A 73 21.389 34.169 3.004 1.00 50.42 C ATOM 0 H VAL A 73 21.997 36.119 1.226 1.00 42.04 H new ATOM 0 HA VAL A 73 23.918 33.954 0.664 1.00 74.32 H new ATOM 0 HB VAL A 73 22.967 32.796 2.600 1.00 10.33 H new ATOM 0 HG11 VAL A 73 23.721 34.308 4.390 1.00 21.54 H new ATOM 0 HG12 VAL A 73 24.832 34.324 3.000 1.00 21.54 H new ATOM 0 HG13 VAL A 73 23.695 35.671 3.245 1.00 21.54 H new ATOM 0 HG21 VAL A 73 21.309 33.889 4.054 1.00 50.42 H new ATOM 0 HG22 VAL A 73 21.185 35.234 2.896 1.00 50.42 H new ATOM 0 HG23 VAL A 73 20.665 33.600 2.421 1.00 50.42 H new ATOM 1034 N LYS A 74 22.249 32.425 -0.416 1.00 43.25 N ATOM 1035 CA LYS A 74 21.322 31.636 -1.219 1.00 45.12 C ATOM 1036 C LYS A 74 20.788 30.449 -0.424 1.00 5.11 C ATOM 1037 O LYS A 74 21.506 29.479 -0.181 1.00 30.35 O ATOM 1038 CB LYS A 74 22.012 31.142 -2.493 1.00 20.53 C ATOM 1039 CG LYS A 74 21.066 30.968 -3.668 1.00 60.13 C ATOM 1040 CD LYS A 74 20.515 32.302 -4.142 1.00 54.12 C ATOM 1041 CE LYS A 74 20.787 32.524 -5.622 1.00 44.00 C ATOM 1042 NZ LYS A 74 20.885 33.972 -5.957 1.00 74.31 N ATOM 0 H LYS A 74 23.200 32.057 -0.387 1.00 43.25 H new ATOM 0 HA LYS A 74 20.482 32.275 -1.492 1.00 45.12 H new ATOM 0 HB2 LYS A 74 22.795 31.848 -2.769 1.00 20.53 H new ATOM 0 HB3 LYS A 74 22.500 30.190 -2.286 1.00 20.53 H new ATOM 0 HG2 LYS A 74 21.590 30.477 -4.488 1.00 60.13 H new ATOM 0 HG3 LYS A 74 20.242 30.315 -3.380 1.00 60.13 H new ATOM 0 HD2 LYS A 74 19.441 32.339 -3.959 1.00 54.12 H new ATOM 0 HD3 LYS A 74 20.965 33.109 -3.563 1.00 54.12 H new ATOM 0 HE2 LYS A 74 21.715 32.023 -5.900 1.00 44.00 H new ATOM 0 HE3 LYS A 74 19.990 32.068 -6.210 1.00 44.00 H new ATOM 0 HZ1 LYS A 74 21.071 34.081 -6.974 1.00 74.31 H new ATOM 0 HZ2 LYS A 74 19.991 34.445 -5.716 1.00 74.31 H new ATOM 0 HZ3 LYS A 74 21.662 34.402 -5.415 1.00 74.31 H new ATOM 1056 N VAL A 75 19.524 30.532 -0.022 1.00 50.24 N ATOM 1057 CA VAL A 75 18.893 29.464 0.743 1.00 21.41 C ATOM 1058 C VAL A 75 18.148 28.499 -0.172 1.00 34.52 C ATOM 1059 O VAL A 75 17.201 28.883 -0.860 1.00 65.32 O ATOM 1060 CB VAL A 75 17.911 30.026 1.788 1.00 53.04 C ATOM 1061 CG1 VAL A 75 17.216 28.895 2.531 1.00 5.22 C ATOM 1062 CG2 VAL A 75 18.635 30.948 2.757 1.00 33.44 C ATOM 0 H VAL A 75 18.917 31.329 -0.214 1.00 50.24 H new ATOM 0 HA VAL A 75 19.691 28.929 1.257 1.00 21.41 H new ATOM 0 HB VAL A 75 17.149 30.608 1.270 1.00 53.04 H new ATOM 0 HG11 VAL A 75 16.526 29.312 3.265 1.00 5.22 H new ATOM 0 HG12 VAL A 75 16.663 28.280 1.822 1.00 5.22 H new ATOM 0 HG13 VAL A 75 17.960 28.282 3.040 1.00 5.22 H new ATOM 0 HG21 VAL A 75 17.926 31.336 3.488 1.00 33.44 H new ATOM 0 HG22 VAL A 75 19.419 30.392 3.271 1.00 33.44 H new ATOM 0 HG23 VAL A 75 19.079 31.777 2.207 1.00 33.44 H new ATOM 1072 N THR A 76 18.580 27.241 -0.175 1.00 14.23 N ATOM 1073 CA THR A 76 17.954 26.220 -1.005 1.00 61.02 C ATOM 1074 C THR A 76 17.532 25.016 -0.171 1.00 71.34 C ATOM 1075 O THR A 76 18.310 24.500 0.630 1.00 5.20 O ATOM 1076 CB THR A 76 18.901 25.748 -2.125 1.00 4.34 C ATOM 1077 OG1 THR A 76 20.107 26.520 -2.103 1.00 43.24 O ATOM 1078 CG2 THR A 76 18.236 25.876 -3.486 1.00 74.34 C ATOM 0 H THR A 76 19.361 26.906 0.389 1.00 14.23 H new ATOM 0 HA THR A 76 17.071 26.675 -1.454 1.00 61.02 H new ATOM 0 HB THR A 76 19.138 24.698 -1.952 1.00 4.34 H new ATOM 0 HG1 THR A 76 20.705 26.213 -2.816 1.00 43.24 H new ATOM 0 HG21 THR A 76 18.924 25.537 -4.260 1.00 74.34 H new ATOM 0 HG22 THR A 76 17.334 25.265 -3.509 1.00 74.34 H new ATOM 0 HG23 THR A 76 17.973 26.918 -3.666 1.00 74.34 H new ATOM 1086 N ALA A 77 16.294 24.572 -0.366 1.00 65.40 N ATOM 1087 CA ALA A 77 15.770 23.426 0.367 1.00 61.25 C ATOM 1088 C ALA A 77 15.071 22.448 -0.571 1.00 74.15 C ATOM 1089 O ALA A 77 14.273 22.849 -1.419 1.00 61.32 O ATOM 1090 CB ALA A 77 14.815 23.889 1.457 1.00 24.52 C ATOM 0 H ALA A 77 15.636 24.988 -1.025 1.00 65.40 H new ATOM 0 HA ALA A 77 16.609 22.907 0.831 1.00 61.25 H new ATOM 0 HB1 ALA A 77 14.431 23.023 1.996 1.00 24.52 H new ATOM 0 HB2 ALA A 77 15.344 24.543 2.150 1.00 24.52 H new ATOM 0 HB3 ALA A 77 13.985 24.433 1.006 1.00 24.52 H new ATOM 1096 N SER A 78 15.375 21.164 -0.414 1.00 62.34 N ATOM 1097 CA SER A 78 14.779 20.129 -1.251 1.00 33.32 C ATOM 1098 C SER A 78 14.137 19.041 -0.395 1.00 1.14 C ATOM 1099 O SER A 78 14.714 18.597 0.599 1.00 51.05 O ATOM 1100 CB SER A 78 15.836 19.513 -2.169 1.00 42.22 C ATOM 1101 OG SER A 78 16.213 20.419 -3.192 1.00 4.15 O ATOM 0 H SER A 78 16.031 20.815 0.285 1.00 62.34 H new ATOM 0 HA SER A 78 14.004 20.593 -1.861 1.00 33.32 H new ATOM 0 HB2 SER A 78 16.713 19.235 -1.584 1.00 42.22 H new ATOM 0 HB3 SER A 78 15.446 18.598 -2.615 1.00 42.22 H new ATOM 0 HG SER A 78 16.891 20.003 -3.764 1.00 4.15 H new ATOM 1107 N ILE A 79 12.941 18.617 -0.787 1.00 15.21 N ATOM 1108 CA ILE A 79 12.220 17.581 -0.057 1.00 5.21 C ATOM 1109 C ILE A 79 11.567 16.589 -1.012 1.00 74.14 C ATOM 1110 O ILE A 79 11.010 16.975 -2.040 1.00 25.52 O ATOM 1111 CB ILE A 79 11.138 18.186 0.857 1.00 25.54 C ATOM 1112 CG1 ILE A 79 10.699 17.164 1.908 1.00 30.12 C ATOM 1113 CG2 ILE A 79 9.948 18.651 0.033 1.00 73.12 C ATOM 1114 CD1 ILE A 79 9.541 16.299 1.463 1.00 61.45 C ATOM 0 H ILE A 79 12.450 18.975 -1.606 1.00 15.21 H new ATOM 0 HA ILE A 79 12.953 17.060 0.558 1.00 5.21 H new ATOM 0 HB ILE A 79 11.558 19.050 1.371 1.00 25.54 H new ATOM 0 HG12 ILE A 79 11.546 16.524 2.156 1.00 30.12 H new ATOM 0 HG13 ILE A 79 10.419 17.691 2.820 1.00 30.12 H new ATOM 0 HG21 ILE A 79 9.192 19.076 0.693 1.00 73.12 H new ATOM 0 HG22 ILE A 79 10.273 19.408 -0.681 1.00 73.12 H new ATOM 0 HG23 ILE A 79 9.524 17.803 -0.505 1.00 73.12 H new ATOM 0 HD11 ILE A 79 9.284 15.598 2.257 1.00 61.45 H new ATOM 0 HD12 ILE A 79 8.680 16.929 1.242 1.00 61.45 H new ATOM 0 HD13 ILE A 79 9.824 15.745 0.568 1.00 61.45 H new ATOM 1126 N GLY A 80 11.636 15.307 -0.665 1.00 1.20 N ATOM 1127 CA GLY A 80 11.045 14.279 -1.501 1.00 63.13 C ATOM 1128 C GLY A 80 11.548 14.334 -2.930 1.00 52.34 C ATOM 1129 O GLY A 80 12.632 13.839 -3.234 1.00 42.12 O ATOM 0 H GLY A 80 12.091 14.962 0.180 1.00 1.20 H new ATOM 0 HA2 GLY A 80 11.267 13.299 -1.078 1.00 63.13 H new ATOM 0 HA3 GLY A 80 9.961 14.390 -1.496 1.00 63.13 H new ATOM 1133 N GLY A 81 10.756 14.938 -3.812 1.00 31.23 N ATOM 1134 CA GLY A 81 11.143 15.043 -5.206 1.00 51.24 C ATOM 1135 C GLY A 81 11.375 16.478 -5.637 1.00 24.22 C ATOM 1136 O GLY A 81 12.461 16.824 -6.104 1.00 53.31 O ATOM 0 H GLY A 81 9.854 15.356 -3.585 1.00 31.23 H new ATOM 0 HA2 GLY A 81 12.052 14.466 -5.372 1.00 51.24 H new ATOM 0 HA3 GLY A 81 10.366 14.601 -5.830 1.00 51.24 H new ATOM 1140 N ILE A 82 10.354 17.314 -5.481 1.00 62.51 N ATOM 1141 CA ILE A 82 10.453 18.718 -5.858 1.00 11.12 C ATOM 1142 C ILE A 82 11.433 19.461 -4.957 1.00 2.43 C ATOM 1143 O ILE A 82 11.659 19.069 -3.812 1.00 71.35 O ATOM 1144 CB ILE A 82 9.082 19.416 -5.792 1.00 13.42 C ATOM 1145 CG1 ILE A 82 8.022 18.575 -6.506 1.00 52.30 C ATOM 1146 CG2 ILE A 82 9.165 20.806 -6.405 1.00 50.04 C ATOM 1147 CD1 ILE A 82 8.359 18.278 -7.950 1.00 70.33 C ATOM 0 H ILE A 82 9.449 17.043 -5.096 1.00 62.51 H new ATOM 0 HA ILE A 82 10.816 18.744 -6.885 1.00 11.12 H new ATOM 0 HB ILE A 82 8.793 19.518 -4.746 1.00 13.42 H new ATOM 0 HG12 ILE A 82 7.894 17.634 -5.970 1.00 52.30 H new ATOM 0 HG13 ILE A 82 7.066 19.098 -6.464 1.00 52.30 H new ATOM 0 HG21 ILE A 82 8.188 21.286 -6.351 1.00 50.04 H new ATOM 0 HG22 ILE A 82 9.894 21.403 -5.856 1.00 50.04 H new ATOM 0 HG23 ILE A 82 9.473 20.726 -7.448 1.00 50.04 H new ATOM 0 HD11 ILE A 82 7.564 17.678 -8.393 1.00 70.33 H new ATOM 0 HD12 ILE A 82 8.458 19.214 -8.500 1.00 70.33 H new ATOM 0 HD13 ILE A 82 9.299 17.728 -7.999 1.00 70.33 H new ATOM 1159 N GLN A 83 12.011 20.537 -5.481 1.00 0.52 N ATOM 1160 CA GLN A 83 12.966 21.337 -4.723 1.00 25.43 C ATOM 1161 C GLN A 83 12.579 22.812 -4.742 1.00 31.50 C ATOM 1162 O GLN A 83 11.786 23.245 -5.577 1.00 63.42 O ATOM 1163 CB GLN A 83 14.376 21.160 -5.291 1.00 34.20 C ATOM 1164 CG GLN A 83 14.511 21.617 -6.734 1.00 62.25 C ATOM 1165 CD GLN A 83 15.955 21.690 -7.190 1.00 62.33 C ATOM 1166 OE1 GLN A 83 16.496 22.775 -7.405 1.00 63.34 O ATOM 1167 NE2 GLN A 83 16.588 20.532 -7.340 1.00 41.02 N ATOM 0 H GLN A 83 11.835 20.875 -6.427 1.00 0.52 H new ATOM 0 HA GLN A 83 12.951 20.990 -3.690 1.00 25.43 H new ATOM 0 HB2 GLN A 83 15.080 21.718 -4.674 1.00 34.20 H new ATOM 0 HB3 GLN A 83 14.657 20.109 -5.223 1.00 34.20 H new ATOM 0 HG2 GLN A 83 13.964 20.931 -7.381 1.00 62.25 H new ATOM 0 HG3 GLN A 83 14.049 22.598 -6.845 1.00 62.25 H new ATOM 0 HE21 GLN A 83 16.101 19.656 -7.151 1.00 41.02 H new ATOM 0 HE22 GLN A 83 17.561 20.519 -7.645 1.00 41.02 H new ATOM 1176 N GLY A 84 13.144 23.579 -3.815 1.00 13.14 N ATOM 1177 CA GLY A 84 12.844 24.997 -3.743 1.00 5.34 C ATOM 1178 C GLY A 84 14.072 25.834 -3.441 1.00 52.23 C ATOM 1179 O GLY A 84 15.039 25.343 -2.859 1.00 14.35 O ATOM 0 H GLY A 84 13.804 23.244 -3.113 1.00 13.14 H new ATOM 0 HA2 GLY A 84 12.410 25.322 -4.689 1.00 5.34 H new ATOM 0 HA3 GLY A 84 12.093 25.168 -2.972 1.00 5.34 H new ATOM 1183 N SER A 85 14.035 27.101 -3.841 1.00 14.54 N ATOM 1184 CA SER A 85 15.155 28.007 -3.615 1.00 11.32 C ATOM 1185 C SER A 85 14.660 29.418 -3.312 1.00 1.30 C ATOM 1186 O SER A 85 13.595 29.828 -3.774 1.00 15.54 O ATOM 1187 CB SER A 85 16.075 28.029 -4.837 1.00 22.42 C ATOM 1188 OG SER A 85 15.717 29.071 -5.727 1.00 11.41 O ATOM 0 H SER A 85 13.242 27.523 -4.323 1.00 14.54 H new ATOM 0 HA SER A 85 15.715 27.644 -2.753 1.00 11.32 H new ATOM 0 HB2 SER A 85 17.108 28.160 -4.516 1.00 22.42 H new ATOM 0 HB3 SER A 85 16.021 27.071 -5.354 1.00 22.42 H new ATOM 0 HG SER A 85 16.321 29.064 -6.499 1.00 11.41 H new ATOM 1194 N THR A 86 15.442 30.158 -2.532 1.00 1.30 N ATOM 1195 CA THR A 86 15.085 31.523 -2.165 1.00 73.24 C ATOM 1196 C THR A 86 16.324 32.402 -2.045 1.00 51.43 C ATOM 1197 O THR A 86 17.420 31.913 -1.770 1.00 54.30 O ATOM 1198 CB THR A 86 14.310 31.562 -0.835 1.00 1.35 C ATOM 1199 OG1 THR A 86 13.588 30.339 -0.651 1.00 42.33 O ATOM 1200 CG2 THR A 86 13.344 32.737 -0.806 1.00 34.24 C ATOM 0 H THR A 86 16.327 29.835 -2.142 1.00 1.30 H new ATOM 0 HA THR A 86 14.446 31.908 -2.960 1.00 73.24 H new ATOM 0 HB THR A 86 15.029 31.683 -0.025 1.00 1.35 H new ATOM 0 HG1 THR A 86 13.231 30.304 0.261 1.00 42.33 H new ATOM 0 HG21 THR A 86 12.808 32.744 0.143 1.00 34.24 H new ATOM 0 HG22 THR A 86 13.900 33.668 -0.915 1.00 34.24 H new ATOM 0 HG23 THR A 86 12.631 32.642 -1.625 1.00 34.24 H new ATOM 1208 N ASP A 87 16.143 33.702 -2.253 1.00 3.14 N ATOM 1209 CA ASP A 87 17.247 34.651 -2.166 1.00 24.24 C ATOM 1210 C ASP A 87 17.098 35.548 -0.941 1.00 21.44 C ATOM 1211 O ASP A 87 16.048 36.154 -0.726 1.00 60.33 O ATOM 1212 CB ASP A 87 17.315 35.505 -3.433 1.00 23.42 C ATOM 1213 CG ASP A 87 18.198 36.725 -3.262 1.00 1.11 C ATOM 1214 OD1 ASP A 87 17.707 37.743 -2.731 1.00 50.50 O ATOM 1215 OD2 ASP A 87 19.380 36.662 -3.658 1.00 64.23 O ATOM 0 H ASP A 87 15.243 34.122 -2.483 1.00 3.14 H new ATOM 0 HA ASP A 87 18.173 34.084 -2.069 1.00 24.24 H new ATOM 0 HB2 ASP A 87 17.693 34.899 -4.256 1.00 23.42 H new ATOM 0 HB3 ASP A 87 16.309 35.824 -3.707 1.00 23.42 H new ATOM 1220 N PHE A 88 18.155 35.626 -0.139 1.00 0.41 N ATOM 1221 CA PHE A 88 18.141 36.447 1.066 1.00 10.42 C ATOM 1222 C PHE A 88 19.350 37.378 1.104 1.00 15.13 C ATOM 1223 O PHE A 88 20.449 37.004 0.697 1.00 63.14 O ATOM 1224 CB PHE A 88 18.127 35.560 2.313 1.00 54.41 C ATOM 1225 CG PHE A 88 16.763 35.032 2.657 1.00 64.32 C ATOM 1226 CD1 PHE A 88 16.322 33.826 2.137 1.00 62.51 C ATOM 1227 CD2 PHE A 88 15.923 35.741 3.499 1.00 11.34 C ATOM 1228 CE1 PHE A 88 15.069 33.336 2.452 1.00 75.14 C ATOM 1229 CE2 PHE A 88 14.668 35.256 3.818 1.00 45.51 C ATOM 1230 CZ PHE A 88 14.240 34.053 3.292 1.00 2.04 C ATOM 0 H PHE A 88 19.032 35.131 -0.302 1.00 0.41 H new ATOM 0 HA PHE A 88 17.236 37.055 1.051 1.00 10.42 H new ATOM 0 HB2 PHE A 88 18.805 34.720 2.160 1.00 54.41 H new ATOM 0 HB3 PHE A 88 18.511 36.130 3.159 1.00 54.41 H new ATOM 0 HD1 PHE A 88 16.965 33.262 1.478 1.00 62.51 H new ATOM 0 HD2 PHE A 88 16.252 36.684 3.911 1.00 11.34 H new ATOM 0 HE1 PHE A 88 14.738 32.393 2.042 1.00 75.14 H new ATOM 0 HE2 PHE A 88 14.023 35.817 4.478 1.00 45.51 H new ATOM 0 HZ PHE A 88 13.259 33.674 3.537 1.00 2.04 H new ATOM 1240 N LYS A 89 19.137 38.594 1.597 1.00 61.23 N ATOM 1241 CA LYS A 89 20.207 39.580 1.690 1.00 61.12 C ATOM 1242 C LYS A 89 20.289 40.163 3.097 1.00 30.40 C ATOM 1243 O LYS A 89 19.408 40.910 3.523 1.00 71.33 O ATOM 1244 CB LYS A 89 19.984 40.702 0.674 1.00 41.33 C ATOM 1245 CG LYS A 89 21.148 41.673 0.574 1.00 23.31 C ATOM 1246 CD LYS A 89 21.699 41.740 -0.841 1.00 32.24 C ATOM 1247 CE LYS A 89 22.125 43.153 -1.206 1.00 41.33 C ATOM 1248 NZ LYS A 89 20.962 44.002 -1.587 1.00 4.30 N ATOM 0 H LYS A 89 18.233 38.920 1.938 1.00 61.23 H new ATOM 0 HA LYS A 89 21.149 39.079 1.468 1.00 61.12 H new ATOM 0 HB2 LYS A 89 19.804 40.262 -0.307 1.00 41.33 H new ATOM 0 HB3 LYS A 89 19.084 41.254 0.946 1.00 41.33 H new ATOM 0 HG2 LYS A 89 20.823 42.665 0.886 1.00 23.31 H new ATOM 0 HG3 LYS A 89 21.938 41.366 1.259 1.00 23.31 H new ATOM 0 HD2 LYS A 89 22.551 41.067 -0.933 1.00 32.24 H new ATOM 0 HD3 LYS A 89 20.942 41.394 -1.544 1.00 32.24 H new ATOM 0 HE2 LYS A 89 22.644 43.606 -0.361 1.00 41.33 H new ATOM 0 HE3 LYS A 89 22.834 43.116 -2.033 1.00 41.33 H new ATOM 0 HZ1 LYS A 89 21.294 44.957 -1.829 1.00 4.30 H new ATOM 0 HZ2 LYS A 89 20.482 43.584 -2.409 1.00 4.30 H new ATOM 0 HZ3 LYS A 89 20.297 44.058 -0.789 1.00 4.30 H new ATOM 1262 N VAL A 90 21.353 39.817 3.815 1.00 43.43 N ATOM 1263 CA VAL A 90 21.551 40.309 5.173 1.00 25.51 C ATOM 1264 C VAL A 90 22.602 41.412 5.211 1.00 42.54 C ATOM 1265 O VAL A 90 23.724 41.235 4.734 1.00 31.53 O ATOM 1266 CB VAL A 90 21.980 39.174 6.123 1.00 1.40 C ATOM 1267 CG1 VAL A 90 22.026 39.670 7.560 1.00 4.33 C ATOM 1268 CG2 VAL A 90 21.041 37.985 5.991 1.00 54.34 C ATOM 0 H VAL A 90 22.091 39.198 3.479 1.00 43.43 H new ATOM 0 HA VAL A 90 20.595 40.712 5.506 1.00 25.51 H new ATOM 0 HB VAL A 90 22.982 38.849 5.843 1.00 1.40 H new ATOM 0 HG11 VAL A 90 22.331 38.855 8.217 1.00 4.33 H new ATOM 0 HG12 VAL A 90 22.742 40.488 7.640 1.00 4.33 H new ATOM 0 HG13 VAL A 90 21.038 40.023 7.855 1.00 4.33 H new ATOM 0 HG21 VAL A 90 21.359 37.193 6.669 1.00 54.34 H new ATOM 0 HG22 VAL A 90 20.026 38.293 6.243 1.00 54.34 H new ATOM 0 HG23 VAL A 90 21.064 37.616 4.966 1.00 54.34 H new ATOM 1278 N THR A 91 22.232 42.555 5.781 1.00 44.12 N ATOM 1279 CA THR A 91 23.142 43.689 5.880 1.00 2.24 C ATOM 1280 C THR A 91 23.792 43.754 7.258 1.00 72.41 C ATOM 1281 O THR A 91 23.384 43.047 8.179 1.00 22.13 O ATOM 1282 CB THR A 91 22.415 45.019 5.606 1.00 73.13 C ATOM 1283 OG1 THR A 91 21.286 44.793 4.755 1.00 74.24 O ATOM 1284 CG2 THR A 91 23.353 46.025 4.956 1.00 72.33 C ATOM 0 H THR A 91 21.308 42.719 6.181 1.00 44.12 H new ATOM 0 HA THR A 91 23.913 43.542 5.123 1.00 2.24 H new ATOM 0 HB THR A 91 22.076 45.426 6.559 1.00 73.13 H new ATOM 0 HG1 THR A 91 20.828 45.643 4.587 1.00 74.24 H new ATOM 0 HG21 THR A 91 22.817 46.956 4.772 1.00 72.33 H new ATOM 0 HG22 THR A 91 24.197 46.217 5.619 1.00 72.33 H new ATOM 0 HG23 THR A 91 23.718 45.624 4.011 1.00 72.33 H new ATOM 1292 N GLN A 92 24.803 44.606 7.391 1.00 63.41 N ATOM 1293 CA GLN A 92 25.509 44.761 8.657 1.00 12.34 C ATOM 1294 C GLN A 92 24.690 45.594 9.638 1.00 53.10 C ATOM 1295 O GLN A 92 23.972 46.512 9.240 1.00 15.23 O ATOM 1296 CB GLN A 92 26.872 45.416 8.429 1.00 62.13 C ATOM 1297 CG GLN A 92 27.821 45.274 9.608 1.00 32.21 C ATOM 1298 CD GLN A 92 29.138 45.990 9.387 1.00 3.51 C ATOM 1299 OE1 GLN A 92 29.264 46.820 8.485 1.00 35.34 O ATOM 1300 NE2 GLN A 92 30.130 45.674 10.211 1.00 1.13 N ATOM 0 H GLN A 92 25.151 45.199 6.638 1.00 63.41 H new ATOM 0 HA GLN A 92 25.657 43.769 9.085 1.00 12.34 H new ATOM 0 HB2 GLN A 92 27.334 44.975 7.546 1.00 62.13 H new ATOM 0 HB3 GLN A 92 26.726 46.475 8.217 1.00 62.13 H new ATOM 0 HG2 GLN A 92 27.343 45.670 10.504 1.00 32.21 H new ATOM 0 HG3 GLN A 92 28.013 44.217 9.790 1.00 32.21 H new ATOM 0 HE21 GLN A 92 29.982 44.981 10.945 1.00 1.13 H new ATOM 0 HE22 GLN A 92 31.040 46.124 10.110 1.00 1.13 H new