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 44 THR OG1 : rot 106:sc= 0.271 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0.264 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.0747 X(o=-0.075,f=0) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -1.63 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 K(o=0,f=-0.87) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0736 USER MOD Single : A 16 THR OG1 : rot 68:sc= 1.01 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.0046) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 32 THR OG1 : rot 66:sc= 0.093 USER MOD Single : A 34 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.79) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.87 K(o=-1.9,f=-10!) USER MOD Single : A 37 SER OG : rot 100:sc= 1.28 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.643 X(o=-0.64,f=-0.31) USER MOD Single : A 47 SER OG : rot -150:sc= -0.989 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00106 X(o=-0.0011,f=-0.0011) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.103 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= -3.14! C(o=-3.1!,f=-6.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.252 USER MOD Single : A 62 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 67 THR OG1 : rot -121:sc= 1.52 USER MOD Single : A 69 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : A 72 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.5!) 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 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 162:sc= 0.495 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=-0.31) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.043 7.557 -3.834 1.00 44.00 N ATOM 43 CA ALA A 4 4.335 7.969 -4.369 1.00 63.52 C ATOM 44 C ALA A 4 4.421 9.486 -4.491 1.00 53.14 C ATOM 45 O ALA A 4 3.423 10.154 -4.768 1.00 4.11 O ATOM 46 CB ALA A 4 4.579 7.314 -5.721 1.00 25.33 C ATOM 0 HA ALA A 4 5.109 7.643 -3.674 1.00 63.52 H new ATOM 0 HB1 ALA A 4 5.547 7.630 -6.109 1.00 25.33 H new ATOM 0 HB2 ALA A 4 4.570 6.230 -5.607 1.00 25.33 H new ATOM 0 HB3 ALA A 4 3.794 7.612 -6.417 1.00 25.33 H new ATOM 52 N LEU A 5 5.617 10.025 -4.283 1.00 53.31 N ATOM 53 CA LEU A 5 5.832 11.466 -4.369 1.00 63.54 C ATOM 54 C LEU A 5 5.239 12.029 -5.657 1.00 21.22 C ATOM 55 O LEU A 5 5.157 11.335 -6.670 1.00 71.05 O ATOM 56 CB LEU A 5 7.327 11.782 -4.302 1.00 3.20 C ATOM 57 CG LEU A 5 8.063 11.287 -3.056 1.00 71.34 C ATOM 58 CD1 LEU A 5 9.531 11.041 -3.366 1.00 63.43 C ATOM 59 CD2 LEU A 5 7.916 12.286 -1.918 1.00 23.52 C ATOM 0 H LEU A 5 6.453 9.487 -4.054 1.00 53.31 H new ATOM 0 HA LEU A 5 5.329 11.935 -3.524 1.00 63.54 H new ATOM 0 HB2 LEU A 5 7.809 11.350 -5.179 1.00 3.20 H new ATOM 0 HB3 LEU A 5 7.453 12.863 -4.368 1.00 3.20 H new ATOM 0 HG LEU A 5 7.616 10.343 -2.744 1.00 71.34 H new ATOM 0 HD11 LEU A 5 10.039 10.689 -2.468 1.00 63.43 H new ATOM 0 HD12 LEU A 5 9.616 10.288 -4.149 1.00 63.43 H new ATOM 0 HD13 LEU A 5 9.992 11.969 -3.703 1.00 63.43 H new ATOM 0 HD21 LEU A 5 8.446 11.917 -1.040 1.00 23.52 H new ATOM 0 HD22 LEU A 5 8.336 13.245 -2.219 1.00 23.52 H new ATOM 0 HD23 LEU A 5 6.860 12.412 -1.678 1.00 23.52 H new ATOM 71 N VAL A 6 4.828 13.292 -5.610 1.00 4.21 N ATOM 72 CA VAL A 6 4.246 13.950 -6.773 1.00 51.32 C ATOM 73 C VAL A 6 4.598 15.433 -6.799 1.00 50.42 C ATOM 74 O VAL A 6 5.288 15.903 -7.705 1.00 34.55 O ATOM 75 CB VAL A 6 2.713 13.797 -6.796 1.00 5.21 C ATOM 76 CG1 VAL A 6 2.122 14.521 -7.996 1.00 0.32 C ATOM 77 CG2 VAL A 6 2.326 12.326 -6.806 1.00 55.31 C ATOM 0 H VAL A 6 4.887 13.880 -4.779 1.00 4.21 H new ATOM 0 HA VAL A 6 4.666 13.464 -7.654 1.00 51.32 H new ATOM 0 HB VAL A 6 2.306 14.250 -5.892 1.00 5.21 H new ATOM 0 HG11 VAL A 6 1.039 14.402 -7.995 1.00 0.32 H new ATOM 0 HG12 VAL A 6 2.371 15.581 -7.940 1.00 0.32 H new ATOM 0 HG13 VAL A 6 2.533 14.100 -8.914 1.00 0.32 H new ATOM 0 HG21 VAL A 6 1.240 12.236 -6.822 1.00 55.31 H new ATOM 0 HG22 VAL A 6 2.743 11.846 -7.691 1.00 55.31 H new ATOM 0 HG23 VAL A 6 2.717 11.841 -5.912 1.00 55.31 H new ATOM 87 N SER A 7 4.120 16.167 -5.799 1.00 52.13 N ATOM 88 CA SER A 7 4.381 17.599 -5.709 1.00 22.23 C ATOM 89 C SER A 7 4.354 18.065 -4.256 1.00 42.23 C ATOM 90 O SER A 7 3.921 17.333 -3.366 1.00 50.00 O ATOM 91 CB SER A 7 3.350 18.380 -6.526 1.00 64.42 C ATOM 92 OG SER A 7 2.962 17.657 -7.682 1.00 24.13 O ATOM 0 H SER A 7 3.550 15.794 -5.040 1.00 52.13 H new ATOM 0 HA SER A 7 5.374 17.788 -6.116 1.00 22.23 H new ATOM 0 HB2 SER A 7 2.474 18.586 -5.911 1.00 64.42 H new ATOM 0 HB3 SER A 7 3.767 19.343 -6.819 1.00 64.42 H new ATOM 0 HG SER A 7 2.302 18.176 -8.186 1.00 24.13 H new ATOM 98 N ILE A 8 4.820 19.288 -4.025 1.00 61.14 N ATOM 99 CA ILE A 8 4.849 19.853 -2.682 1.00 73.01 C ATOM 100 C ILE A 8 4.502 21.338 -2.703 1.00 32.22 C ATOM 101 O ILE A 8 4.670 22.011 -3.720 1.00 34.23 O ATOM 102 CB ILE A 8 6.228 19.669 -2.023 1.00 64.21 C ATOM 103 CG1 ILE A 8 7.174 20.796 -2.445 1.00 32.51 C ATOM 104 CG2 ILE A 8 6.814 18.313 -2.390 1.00 50.41 C ATOM 105 CD1 ILE A 8 7.377 20.886 -3.941 1.00 75.22 C ATOM 0 H ILE A 8 5.183 19.906 -4.751 1.00 61.14 H new ATOM 0 HA ILE A 8 4.102 19.316 -2.098 1.00 73.01 H new ATOM 0 HB ILE A 8 6.105 19.709 -0.941 1.00 64.21 H new ATOM 0 HG12 ILE A 8 6.780 21.745 -2.082 1.00 32.51 H new ATOM 0 HG13 ILE A 8 8.141 20.647 -1.964 1.00 32.51 H new ATOM 0 HG21 ILE A 8 7.789 18.198 -1.917 1.00 50.41 H new ATOM 0 HG22 ILE A 8 6.147 17.523 -2.045 1.00 50.41 H new ATOM 0 HG23 ILE A 8 6.926 18.246 -3.472 1.00 50.41 H new ATOM 0 HD11 ILE A 8 8.058 21.706 -4.167 1.00 75.22 H new ATOM 0 HD12 ILE A 8 7.800 19.951 -4.308 1.00 75.22 H new ATOM 0 HD13 ILE A 8 6.419 21.066 -4.428 1.00 75.22 H new ATOM 117 N SER A 9 4.019 21.843 -1.572 1.00 74.22 N ATOM 118 CA SER A 9 3.646 23.248 -1.461 1.00 0.25 C ATOM 119 C SER A 9 4.731 24.042 -0.740 1.00 45.43 C ATOM 120 O SER A 9 4.916 23.908 0.469 1.00 21.14 O ATOM 121 CB SER A 9 2.317 23.388 -0.716 1.00 20.33 C ATOM 122 OG SER A 9 1.500 24.380 -1.312 1.00 73.23 O ATOM 0 H SER A 9 3.877 21.300 -0.720 1.00 74.22 H new ATOM 0 HA SER A 9 3.534 23.649 -2.468 1.00 0.25 H new ATOM 0 HB2 SER A 9 1.793 22.432 -0.718 1.00 20.33 H new ATOM 0 HB3 SER A 9 2.506 23.646 0.326 1.00 20.33 H new ATOM 0 HG SER A 9 0.656 24.449 -0.818 1.00 73.23 H new ATOM 128 N VAL A 10 5.448 24.871 -1.493 1.00 71.04 N ATOM 129 CA VAL A 10 6.515 25.689 -0.928 1.00 72.54 C ATOM 130 C VAL A 10 6.236 27.173 -1.133 1.00 2.42 C ATOM 131 O VAL A 10 5.843 27.598 -2.219 1.00 74.11 O ATOM 132 CB VAL A 10 7.879 25.342 -1.555 1.00 13.33 C ATOM 133 CG1 VAL A 10 8.300 23.932 -1.171 1.00 3.11 C ATOM 134 CG2 VAL A 10 7.825 25.499 -3.067 1.00 22.31 C ATOM 0 H VAL A 10 5.309 24.994 -2.496 1.00 71.04 H new ATOM 0 HA VAL A 10 6.549 25.473 0.140 1.00 72.54 H new ATOM 0 HB VAL A 10 8.625 26.036 -1.167 1.00 13.33 H new ATOM 0 HG11 VAL A 10 9.265 23.705 -1.623 1.00 3.11 H new ATOM 0 HG12 VAL A 10 8.381 23.859 -0.086 1.00 3.11 H new ATOM 0 HG13 VAL A 10 7.556 23.220 -1.528 1.00 3.11 H new ATOM 0 HG21 VAL A 10 8.797 25.250 -3.494 1.00 22.31 H new ATOM 0 HG22 VAL A 10 7.067 24.830 -3.475 1.00 22.31 H new ATOM 0 HG23 VAL A 10 7.572 26.529 -3.317 1.00 22.31 H new ATOM 144 N SER A 11 6.444 27.959 -0.081 1.00 13.01 N ATOM 145 CA SER A 11 6.212 29.397 -0.143 1.00 52.34 C ATOM 146 C SER A 11 7.517 30.166 0.039 1.00 13.41 C ATOM 147 O SER A 11 7.738 30.833 1.051 1.00 62.45 O ATOM 148 CB SER A 11 5.204 29.820 0.927 1.00 74.31 C ATOM 149 OG SER A 11 4.065 28.976 0.917 1.00 62.24 O ATOM 0 H SER A 11 6.773 27.624 0.824 1.00 13.01 H new ATOM 0 HA SER A 11 5.806 29.632 -1.127 1.00 52.34 H new ATOM 0 HB2 SER A 11 5.676 29.787 1.909 1.00 74.31 H new ATOM 0 HB3 SER A 11 4.898 30.852 0.755 1.00 74.31 H new ATOM 0 HG SER A 11 3.437 29.266 1.611 1.00 62.24 H new ATOM 155 N PRO A 12 8.403 30.073 -0.964 1.00 13.05 N ATOM 156 CA PRO A 12 9.701 30.753 -0.939 1.00 0.35 C ATOM 157 C PRO A 12 9.565 32.266 -1.069 1.00 2.51 C ATOM 158 O PRO A 12 8.813 32.763 -1.908 1.00 41.30 O ATOM 159 CB PRO A 12 10.428 30.175 -2.155 1.00 60.21 C ATOM 160 CG PRO A 12 9.340 29.745 -3.078 1.00 0.34 C ATOM 161 CD PRO A 12 8.205 29.297 -2.199 1.00 62.40 C ATOM 0 HA PRO A 12 10.226 30.595 0.003 1.00 0.35 H new ATOM 0 HB2 PRO A 12 11.072 30.920 -2.622 1.00 60.21 H new ATOM 0 HB3 PRO A 12 11.064 29.335 -1.874 1.00 60.21 H new ATOM 0 HG2 PRO A 12 9.031 30.565 -3.726 1.00 0.34 H new ATOM 0 HG3 PRO A 12 9.675 28.935 -3.726 1.00 0.34 H new ATOM 0 HD2 PRO A 12 7.237 29.507 -2.654 1.00 62.40 H new ATOM 0 HD3 PRO A 12 8.243 28.224 -2.010 1.00 62.40 H new ATOM 169 N THR A 13 10.298 32.996 -0.234 1.00 4.13 N ATOM 170 CA THR A 13 10.259 34.453 -0.255 1.00 62.22 C ATOM 171 C THR A 13 11.615 35.034 -0.640 1.00 21.31 C ATOM 172 O THR A 13 12.587 34.911 0.104 1.00 12.45 O ATOM 173 CB THR A 13 9.838 35.024 1.112 1.00 20.20 C ATOM 174 OG1 THR A 13 8.532 34.551 1.459 1.00 32.21 O ATOM 175 CG2 THR A 13 9.842 36.545 1.088 1.00 64.22 C ATOM 0 H THR A 13 10.926 32.601 0.466 1.00 4.13 H new ATOM 0 HA THR A 13 9.519 34.738 -1.003 1.00 62.22 H new ATOM 0 HB THR A 13 10.557 34.687 1.859 1.00 20.20 H new ATOM 0 HG1 THR A 13 8.272 34.917 2.330 1.00 32.21 H new ATOM 0 HG21 THR A 13 9.541 36.925 2.064 1.00 64.22 H new ATOM 0 HG22 THR A 13 10.844 36.903 0.852 1.00 64.22 H new ATOM 0 HG23 THR A 13 9.143 36.899 0.330 1.00 64.22 H new ATOM 183 N ASN A 14 11.673 35.667 -1.807 1.00 72.21 N ATOM 184 CA ASN A 14 12.911 36.267 -2.290 1.00 51.25 C ATOM 185 C ASN A 14 12.998 37.735 -1.885 1.00 11.50 C ATOM 186 O ASN A 14 12.927 38.628 -2.729 1.00 43.53 O ATOM 187 CB ASN A 14 13.003 36.140 -3.812 1.00 43.54 C ATOM 188 CG ASN A 14 12.604 34.762 -4.303 1.00 53.42 C ATOM 189 OD1 ASN A 14 13.017 33.747 -3.742 1.00 13.52 O ATOM 190 ND2 ASN A 14 11.796 34.721 -5.356 1.00 70.24 N ATOM 0 H ASN A 14 10.877 35.778 -2.436 1.00 72.21 H new ATOM 0 HA ASN A 14 13.746 35.733 -1.836 1.00 51.25 H new ATOM 0 HB2 ASN A 14 12.360 36.888 -4.276 1.00 43.54 H new ATOM 0 HB3 ASN A 14 14.023 36.355 -4.131 1.00 43.54 H new ATOM 0 HD21 ASN A 14 11.493 33.822 -5.732 1.00 70.24 H new ATOM 0 HD22 ASN A 14 11.478 35.588 -5.789 1.00 70.24 H new ATOM 197 N SER A 15 13.152 37.977 -0.587 1.00 42.21 N ATOM 198 CA SER A 15 13.246 39.337 -0.069 1.00 32.14 C ATOM 199 C SER A 15 14.541 39.532 0.715 1.00 74.35 C ATOM 200 O SER A 15 15.435 38.686 0.679 1.00 4.22 O ATOM 201 CB SER A 15 12.044 39.648 0.825 1.00 0.34 C ATOM 202 OG SER A 15 10.829 39.300 0.185 1.00 34.15 O ATOM 0 H SER A 15 13.214 37.249 0.125 1.00 42.21 H new ATOM 0 HA SER A 15 13.248 40.023 -0.916 1.00 32.14 H new ATOM 0 HB2 SER A 15 12.134 39.101 1.764 1.00 0.34 H new ATOM 0 HB3 SER A 15 12.037 40.709 1.074 1.00 0.34 H new ATOM 0 HG SER A 15 10.076 39.507 0.777 1.00 34.15 H new ATOM 208 N THR A 16 14.634 40.653 1.422 1.00 12.32 N ATOM 209 CA THR A 16 15.818 40.962 2.213 1.00 23.45 C ATOM 210 C THR A 16 15.500 40.959 3.704 1.00 14.32 C ATOM 211 O THR A 16 14.345 41.111 4.103 1.00 74.44 O ATOM 212 CB THR A 16 16.410 42.331 1.829 1.00 62.43 C ATOM 213 OG1 THR A 16 17.395 42.726 2.790 1.00 62.01 O ATOM 214 CG2 THR A 16 15.320 43.388 1.748 1.00 12.31 C ATOM 0 H THR A 16 13.903 41.363 1.463 1.00 12.32 H new ATOM 0 HA THR A 16 16.552 40.185 1.999 1.00 23.45 H new ATOM 0 HB THR A 16 16.877 42.238 0.849 1.00 62.43 H new ATOM 0 HG1 THR A 16 18.173 42.134 2.723 1.00 62.01 H new ATOM 0 HG21 THR A 16 15.762 44.346 1.475 1.00 12.31 H new ATOM 0 HG22 THR A 16 14.588 43.099 0.994 1.00 12.31 H new ATOM 0 HG23 THR A 16 14.828 43.478 2.716 1.00 12.31 H new ATOM 222 N VAL A 17 16.531 40.787 4.525 1.00 50.21 N ATOM 223 CA VAL A 17 16.361 40.767 5.973 1.00 52.22 C ATOM 224 C VAL A 17 17.314 41.744 6.652 1.00 51.32 C ATOM 225 O VAL A 17 18.363 42.084 6.106 1.00 3.02 O ATOM 226 CB VAL A 17 16.595 39.357 6.546 1.00 73.20 C ATOM 227 CG1 VAL A 17 15.693 38.344 5.857 1.00 62.12 C ATOM 228 CG2 VAL A 17 18.057 38.962 6.408 1.00 63.00 C ATOM 0 H VAL A 17 17.493 40.659 4.212 1.00 50.21 H new ATOM 0 HA VAL A 17 15.333 41.067 6.175 1.00 52.22 H new ATOM 0 HB VAL A 17 16.344 39.369 7.607 1.00 73.20 H new ATOM 0 HG11 VAL A 17 15.872 37.353 6.275 1.00 62.12 H new ATOM 0 HG12 VAL A 17 14.650 38.620 6.013 1.00 62.12 H new ATOM 0 HG13 VAL A 17 15.909 38.332 4.789 1.00 62.12 H new ATOM 0 HG21 VAL A 17 18.204 37.963 6.818 1.00 63.00 H new ATOM 0 HG22 VAL A 17 18.337 38.967 5.355 1.00 63.00 H new ATOM 0 HG23 VAL A 17 18.679 39.673 6.952 1.00 63.00 H new ATOM 238 N ALA A 18 16.941 42.193 7.846 1.00 22.41 N ATOM 239 CA ALA A 18 17.764 43.129 8.601 1.00 1.04 C ATOM 240 C ALA A 18 18.951 42.421 9.246 1.00 60.14 C ATOM 241 O ALA A 18 19.007 41.192 9.286 1.00 33.43 O ATOM 242 CB ALA A 18 16.928 43.831 9.661 1.00 55.23 C ATOM 0 H ALA A 18 16.074 41.923 8.311 1.00 22.41 H new ATOM 0 HA ALA A 18 18.152 43.874 7.906 1.00 1.04 H new ATOM 0 HB1 ALA A 18 17.556 44.527 10.217 1.00 55.23 H new ATOM 0 HB2 ALA A 18 16.117 44.378 9.181 1.00 55.23 H new ATOM 0 HB3 ALA A 18 16.512 43.091 10.345 1.00 55.23 H new ATOM 248 N LYS A 19 19.900 43.204 9.748 1.00 73.11 N ATOM 249 CA LYS A 19 21.086 42.653 10.391 1.00 24.41 C ATOM 250 C LYS A 19 20.702 41.637 11.462 1.00 5.04 C ATOM 251 O LYS A 19 19.837 41.898 12.297 1.00 21.21 O ATOM 252 CB LYS A 19 21.922 43.774 11.013 1.00 63.15 C ATOM 253 CG LYS A 19 23.416 43.497 11.002 1.00 73.13 C ATOM 254 CD LYS A 19 23.830 42.627 12.177 1.00 50.12 C ATOM 255 CE LYS A 19 25.343 42.575 12.325 1.00 32.42 C ATOM 256 NZ LYS A 19 25.853 43.671 13.194 1.00 23.12 N ATOM 0 H LYS A 19 19.870 44.223 9.722 1.00 73.11 H new ATOM 0 HA LYS A 19 21.679 42.146 9.630 1.00 24.41 H new ATOM 0 HB2 LYS A 19 21.729 44.702 10.474 1.00 63.15 H new ATOM 0 HB3 LYS A 19 21.597 43.930 12.042 1.00 63.15 H new ATOM 0 HG2 LYS A 19 23.689 43.004 10.069 1.00 73.13 H new ATOM 0 HG3 LYS A 19 23.962 44.440 11.036 1.00 73.13 H new ATOM 0 HD2 LYS A 19 23.387 43.016 13.094 1.00 50.12 H new ATOM 0 HD3 LYS A 19 23.442 41.618 12.039 1.00 50.12 H new ATOM 0 HE2 LYS A 19 25.634 41.613 12.746 1.00 32.42 H new ATOM 0 HE3 LYS A 19 25.807 42.646 11.341 1.00 32.42 H new ATOM 0 HZ1 LYS A 19 26.888 43.601 13.270 1.00 23.12 H new ATOM 0 HZ2 LYS A 19 25.598 44.590 12.780 1.00 23.12 H new ATOM 0 HZ3 LYS A 19 25.430 43.589 14.141 1.00 23.12 H new ATOM 270 N GLY A 20 21.353 40.478 11.433 1.00 24.14 N ATOM 271 CA GLY A 20 21.067 39.442 12.408 1.00 72.50 C ATOM 272 C GLY A 20 19.588 39.120 12.495 1.00 51.50 C ATOM 273 O GLY A 20 18.926 39.466 13.475 1.00 44.21 O ATOM 0 H GLY A 20 22.073 40.238 10.752 1.00 24.14 H new ATOM 0 HA2 GLY A 20 21.618 38.539 12.146 1.00 72.50 H new ATOM 0 HA3 GLY A 20 21.425 39.760 13.387 1.00 72.50 H new ATOM 277 N LEU A 21 19.066 38.459 11.468 1.00 44.13 N ATOM 278 CA LEU A 21 17.655 38.092 11.431 1.00 51.51 C ATOM 279 C LEU A 21 17.472 36.688 10.865 1.00 33.22 C ATOM 280 O LEU A 21 18.390 36.124 10.270 1.00 13.12 O ATOM 281 CB LEU A 21 16.868 39.100 10.591 1.00 71.35 C ATOM 282 CG LEU A 21 15.414 39.330 11.006 1.00 5.11 C ATOM 283 CD1 LEU A 21 15.136 40.816 11.173 1.00 60.23 C ATOM 284 CD2 LEU A 21 14.465 38.719 9.986 1.00 32.43 C ATOM 0 H LEU A 21 19.599 38.166 10.649 1.00 44.13 H new ATOM 0 HA LEU A 21 17.275 38.104 12.452 1.00 51.51 H new ATOM 0 HB2 LEU A 21 17.390 40.056 10.624 1.00 71.35 H new ATOM 0 HB3 LEU A 21 16.880 38.766 9.553 1.00 71.35 H new ATOM 0 HG LEU A 21 15.248 38.840 11.965 1.00 5.11 H new ATOM 0 HD11 LEU A 21 14.097 40.961 11.468 1.00 60.23 H new ATOM 0 HD12 LEU A 21 15.792 41.225 11.942 1.00 60.23 H new ATOM 0 HD13 LEU A 21 15.320 41.329 10.229 1.00 60.23 H new ATOM 0 HD21 LEU A 21 13.435 38.892 10.298 1.00 32.43 H new ATOM 0 HD22 LEU A 21 14.632 39.180 9.012 1.00 32.43 H new ATOM 0 HD23 LEU A 21 14.647 37.647 9.916 1.00 32.43 H new ATOM 296 N GLN A 22 16.280 36.130 11.054 1.00 40.33 N ATOM 297 CA GLN A 22 15.977 34.792 10.561 1.00 53.14 C ATOM 298 C GLN A 22 14.572 34.735 9.970 1.00 34.03 C ATOM 299 O GLN A 22 13.768 35.646 10.168 1.00 21.44 O ATOM 300 CB GLN A 22 16.111 33.767 11.688 1.00 12.55 C ATOM 301 CG GLN A 22 15.198 34.043 12.873 1.00 45.43 C ATOM 302 CD GLN A 22 15.903 33.873 14.204 1.00 0.52 C ATOM 303 OE1 GLN A 22 15.511 33.044 15.026 1.00 62.04 O ATOM 304 NE2 GLN A 22 16.950 34.660 14.425 1.00 14.31 N ATOM 0 H GLN A 22 15.509 36.584 11.545 1.00 40.33 H new ATOM 0 HA GLN A 22 16.692 34.552 9.775 1.00 53.14 H new ATOM 0 HB2 GLN A 22 15.891 32.775 11.294 1.00 12.55 H new ATOM 0 HB3 GLN A 22 17.145 33.751 12.032 1.00 12.55 H new ATOM 0 HG2 GLN A 22 14.810 35.059 12.799 1.00 45.43 H new ATOM 0 HG3 GLN A 22 14.341 33.370 12.831 1.00 45.43 H new ATOM 0 HE21 GLN A 22 17.241 35.333 13.716 1.00 14.31 H new ATOM 0 HE22 GLN A 22 17.463 34.591 15.304 1.00 14.31 H new ATOM 313 N GLU A 23 14.283 33.659 9.244 1.00 2.33 N ATOM 314 CA GLU A 23 12.975 33.485 8.624 1.00 11.33 C ATOM 315 C GLU A 23 12.536 32.025 8.681 1.00 31.11 C ATOM 316 O GLU A 23 13.348 31.115 8.520 1.00 10.10 O ATOM 317 CB GLU A 23 13.007 33.963 7.171 1.00 12.52 C ATOM 318 CG GLU A 23 12.428 35.355 6.975 1.00 23.24 C ATOM 319 CD GLU A 23 10.914 35.351 6.897 1.00 50.13 C ATOM 320 OE1 GLU A 23 10.365 34.617 6.049 1.00 41.34 O ATOM 321 OE2 GLU A 23 10.278 36.083 7.684 1.00 31.32 O ATOM 0 H GLU A 23 14.937 32.895 9.071 1.00 2.33 H new ATOM 0 HA GLU A 23 12.255 34.085 9.180 1.00 11.33 H new ATOM 0 HB2 GLU A 23 14.038 33.954 6.817 1.00 12.52 H new ATOM 0 HB3 GLU A 23 12.452 33.257 6.553 1.00 12.52 H new ATOM 0 HG2 GLU A 23 12.744 35.995 7.799 1.00 23.24 H new ATOM 0 HG3 GLU A 23 12.834 35.788 6.061 1.00 23.24 H new ATOM 328 N ASN A 24 11.245 31.810 8.912 1.00 32.10 N ATOM 329 CA ASN A 24 10.697 30.461 8.992 1.00 71.44 C ATOM 330 C ASN A 24 10.138 30.020 7.642 1.00 1.01 C ATOM 331 O ASN A 24 9.512 30.806 6.930 1.00 5.24 O ATOM 332 CB ASN A 24 9.600 30.395 10.056 1.00 1.13 C ATOM 333 CG ASN A 24 9.882 31.309 11.233 1.00 33.25 C ATOM 334 OD1 ASN A 24 9.284 32.378 11.361 1.00 64.25 O ATOM 335 ND2 ASN A 24 10.796 30.891 12.101 1.00 31.23 N ATOM 0 H ASN A 24 10.559 32.553 9.047 1.00 32.10 H new ATOM 0 HA ASN A 24 11.505 29.784 9.270 1.00 71.44 H new ATOM 0 HB2 ASN A 24 8.645 30.669 9.607 1.00 1.13 H new ATOM 0 HB3 ASN A 24 9.503 29.369 10.411 1.00 1.13 H new ATOM 0 HD21 ASN A 24 11.027 31.463 12.913 1.00 31.23 H new ATOM 0 HD22 ASN A 24 11.267 29.998 11.955 1.00 31.23 H new ATOM 342 N PHE A 25 10.368 28.758 7.296 1.00 32.44 N ATOM 343 CA PHE A 25 9.888 28.212 6.032 1.00 31.42 C ATOM 344 C PHE A 25 8.870 27.101 6.271 1.00 35.32 C ATOM 345 O PHE A 25 8.838 26.490 7.340 1.00 44.11 O ATOM 346 CB PHE A 25 11.059 27.676 5.206 1.00 2.12 C ATOM 347 CG PHE A 25 11.753 28.733 4.394 1.00 32.45 C ATOM 348 CD1 PHE A 25 12.733 29.529 4.963 1.00 45.30 C ATOM 349 CD2 PHE A 25 11.424 28.929 3.063 1.00 54.30 C ATOM 350 CE1 PHE A 25 13.374 30.502 4.219 1.00 50.13 C ATOM 351 CE2 PHE A 25 12.061 29.900 2.314 1.00 51.22 C ATOM 352 CZ PHE A 25 13.036 30.688 2.893 1.00 43.44 C ATOM 0 H PHE A 25 10.884 28.094 7.873 1.00 32.44 H new ATOM 0 HA PHE A 25 9.400 29.016 5.480 1.00 31.42 H new ATOM 0 HB2 PHE A 25 11.782 27.210 5.875 1.00 2.12 H new ATOM 0 HB3 PHE A 25 10.695 26.896 4.537 1.00 2.12 H new ATOM 0 HD1 PHE A 25 13.000 29.388 6.000 1.00 45.30 H new ATOM 0 HD2 PHE A 25 10.661 28.316 2.606 1.00 54.30 H new ATOM 0 HE1 PHE A 25 14.138 31.115 4.674 1.00 50.13 H new ATOM 0 HE2 PHE A 25 11.796 30.042 1.277 1.00 51.22 H new ATOM 0 HZ PHE A 25 13.534 31.449 2.310 1.00 43.44 H new ATOM 362 N LYS A 26 8.037 26.844 5.268 1.00 13.13 N ATOM 363 CA LYS A 26 7.017 25.807 5.366 1.00 35.05 C ATOM 364 C LYS A 26 6.883 25.049 4.050 1.00 61.42 C ATOM 365 O LYS A 26 6.703 25.650 2.992 1.00 51.54 O ATOM 366 CB LYS A 26 5.669 26.423 5.751 1.00 24.34 C ATOM 367 CG LYS A 26 5.464 26.547 7.251 1.00 11.22 C ATOM 368 CD LYS A 26 4.394 25.590 7.749 1.00 55.23 C ATOM 369 CE LYS A 26 4.848 24.142 7.644 1.00 0.52 C ATOM 370 NZ LYS A 26 4.050 23.246 8.525 1.00 20.34 N ATOM 0 H LYS A 26 8.049 27.340 4.377 1.00 13.13 H new ATOM 0 HA LYS A 26 7.323 25.104 6.141 1.00 35.05 H new ATOM 0 HB2 LYS A 26 5.588 27.411 5.299 1.00 24.34 H new ATOM 0 HB3 LYS A 26 4.868 25.814 5.332 1.00 24.34 H new ATOM 0 HG2 LYS A 26 6.403 26.344 7.765 1.00 11.22 H new ATOM 0 HG3 LYS A 26 5.181 27.570 7.497 1.00 11.22 H new ATOM 0 HD2 LYS A 26 4.151 25.822 8.786 1.00 55.23 H new ATOM 0 HD3 LYS A 26 3.482 25.729 7.169 1.00 55.23 H new ATOM 0 HE2 LYS A 26 4.760 23.808 6.610 1.00 0.52 H new ATOM 0 HE3 LYS A 26 5.902 24.071 7.913 1.00 0.52 H new ATOM 0 HZ1 LYS A 26 4.390 22.268 8.425 1.00 20.34 H new ATOM 0 HZ2 LYS A 26 4.154 23.549 9.514 1.00 20.34 H new ATOM 0 HZ3 LYS A 26 3.048 23.294 8.252 1.00 20.34 H new ATOM 384 N ALA A 27 6.971 23.725 4.123 1.00 23.42 N ATOM 385 CA ALA A 27 6.857 22.884 2.938 1.00 53.45 C ATOM 386 C ALA A 27 5.993 21.659 3.215 1.00 61.43 C ATOM 387 O ALA A 27 6.199 20.951 4.201 1.00 15.05 O ATOM 388 CB ALA A 27 8.236 22.462 2.455 1.00 44.24 C ATOM 0 H ALA A 27 7.121 23.211 4.991 1.00 23.42 H new ATOM 0 HA ALA A 27 6.373 23.467 2.155 1.00 53.45 H new ATOM 0 HB1 ALA A 27 8.135 21.834 1.570 1.00 44.24 H new ATOM 0 HB2 ALA A 27 8.822 23.347 2.207 1.00 44.24 H new ATOM 0 HB3 ALA A 27 8.741 21.901 3.241 1.00 44.24 H new ATOM 394 N THR A 28 5.024 21.412 2.338 1.00 45.21 N ATOM 395 CA THR A 28 4.128 20.273 2.489 1.00 23.02 C ATOM 396 C THR A 28 4.264 19.307 1.318 1.00 51.24 C ATOM 397 O THR A 28 4.096 19.692 0.161 1.00 24.31 O ATOM 398 CB THR A 28 2.660 20.724 2.600 1.00 13.44 C ATOM 399 OG1 THR A 28 2.249 21.359 1.384 1.00 1.55 O ATOM 400 CG2 THR A 28 2.475 21.683 3.767 1.00 42.32 C ATOM 0 H THR A 28 4.840 21.987 1.515 1.00 45.21 H new ATOM 0 HA THR A 28 4.415 19.765 3.410 1.00 23.02 H new ATOM 0 HB THR A 28 2.044 19.842 2.774 1.00 13.44 H new ATOM 0 HG1 THR A 28 1.314 21.641 1.462 1.00 1.55 H new ATOM 0 HG21 THR A 28 1.430 21.988 3.825 1.00 42.32 H new ATOM 0 HG22 THR A 28 2.761 21.187 4.695 1.00 42.32 H new ATOM 0 HG23 THR A 28 3.102 22.562 3.618 1.00 42.32 H new ATOM 408 N GLY A 29 4.568 18.050 1.625 1.00 31.20 N ATOM 409 CA GLY A 29 4.720 17.048 0.586 1.00 42.20 C ATOM 410 C GLY A 29 3.405 16.389 0.219 1.00 45.12 C ATOM 411 O GLY A 29 2.566 16.140 1.084 1.00 33.23 O ATOM 0 H GLY A 29 4.712 17.707 2.575 1.00 31.20 H new ATOM 0 HA2 GLY A 29 5.151 17.512 -0.301 1.00 42.20 H new ATOM 0 HA3 GLY A 29 5.424 16.286 0.921 1.00 42.20 H new ATOM 415 N ILE A 30 3.225 16.108 -1.067 1.00 63.22 N ATOM 416 CA ILE A 30 2.003 15.474 -1.546 1.00 40.41 C ATOM 417 C ILE A 30 2.292 14.098 -2.135 1.00 74.23 C ATOM 418 O ILE A 30 3.383 13.846 -2.647 1.00 32.00 O ATOM 419 CB ILE A 30 1.301 16.339 -2.610 1.00 33.31 C ATOM 420 CG1 ILE A 30 1.221 17.794 -2.145 1.00 10.14 C ATOM 421 CG2 ILE A 30 -0.089 15.793 -2.902 1.00 53.40 C ATOM 422 CD1 ILE A 30 0.392 17.984 -0.894 1.00 12.02 C ATOM 0 H ILE A 30 3.910 16.309 -1.796 1.00 63.22 H new ATOM 0 HA ILE A 30 1.344 15.366 -0.684 1.00 40.41 H new ATOM 0 HB ILE A 30 1.885 16.304 -3.530 1.00 33.31 H new ATOM 0 HG12 ILE A 30 2.230 18.165 -1.962 1.00 10.14 H new ATOM 0 HG13 ILE A 30 0.799 18.400 -2.946 1.00 10.14 H new ATOM 0 HG21 ILE A 30 -0.573 16.414 -3.656 1.00 53.40 H new ATOM 0 HG22 ILE A 30 -0.008 14.771 -3.272 1.00 53.40 H new ATOM 0 HG23 ILE A 30 -0.683 15.802 -1.988 1.00 53.40 H new ATOM 0 HD11 ILE A 30 0.379 19.040 -0.623 1.00 12.02 H new ATOM 0 HD12 ILE A 30 -0.627 17.644 -1.078 1.00 12.02 H new ATOM 0 HD13 ILE A 30 0.826 17.405 -0.079 1.00 12.02 H new ATOM 434 N PHE A 31 1.306 13.210 -2.061 1.00 55.03 N ATOM 435 CA PHE A 31 1.453 11.858 -2.588 1.00 52.31 C ATOM 436 C PHE A 31 0.425 11.586 -3.683 1.00 10.24 C ATOM 437 O PHE A 31 -0.573 12.298 -3.805 1.00 64.13 O ATOM 438 CB PHE A 31 1.302 10.831 -1.464 1.00 72.13 C ATOM 439 CG PHE A 31 2.542 10.664 -0.634 1.00 65.44 C ATOM 440 CD1 PHE A 31 2.954 11.665 0.230 1.00 42.33 C ATOM 441 CD2 PHE A 31 3.297 9.505 -0.719 1.00 23.30 C ATOM 442 CE1 PHE A 31 4.095 11.514 0.995 1.00 2.41 C ATOM 443 CE2 PHE A 31 4.439 9.348 0.044 1.00 11.12 C ATOM 444 CZ PHE A 31 4.839 10.355 0.901 1.00 20.54 C ATOM 0 H PHE A 31 0.397 13.402 -1.641 1.00 55.03 H new ATOM 0 HA PHE A 31 2.450 11.769 -3.020 1.00 52.31 H new ATOM 0 HB2 PHE A 31 0.479 11.132 -0.816 1.00 72.13 H new ATOM 0 HB3 PHE A 31 1.032 9.868 -1.897 1.00 72.13 H new ATOM 0 HD1 PHE A 31 2.377 12.574 0.307 1.00 42.33 H new ATOM 0 HD2 PHE A 31 2.990 8.716 -1.389 1.00 23.30 H new ATOM 0 HE1 PHE A 31 4.404 12.302 1.666 1.00 2.41 H new ATOM 0 HE2 PHE A 31 5.018 8.439 -0.030 1.00 11.12 H new ATOM 0 HZ PHE A 31 5.732 10.236 1.496 1.00 20.54 H new ATOM 454 N THR A 32 0.676 10.551 -4.478 1.00 31.53 N ATOM 455 CA THR A 32 -0.225 10.184 -5.563 1.00 51.41 C ATOM 456 C THR A 32 -1.555 9.669 -5.024 1.00 4.20 C ATOM 457 O THR A 32 -2.535 9.562 -5.761 1.00 43.13 O ATOM 458 CB THR A 32 0.399 9.109 -6.472 1.00 73.33 C ATOM 459 OG1 THR A 32 1.637 8.655 -5.915 1.00 62.42 O ATOM 460 CG2 THR A 32 0.636 9.655 -7.872 1.00 64.31 C ATOM 0 H THR A 32 1.497 9.952 -4.391 1.00 31.53 H new ATOM 0 HA THR A 32 -0.399 11.087 -6.148 1.00 51.41 H new ATOM 0 HB THR A 32 -0.297 8.273 -6.539 1.00 73.33 H new ATOM 0 HG1 THR A 32 1.464 8.190 -5.070 1.00 62.42 H new ATOM 0 HG21 THR A 32 1.077 8.878 -8.496 1.00 64.31 H new ATOM 0 HG22 THR A 32 -0.313 9.972 -8.304 1.00 64.31 H new ATOM 0 HG23 THR A 32 1.314 10.507 -7.820 1.00 64.31 H new ATOM 468 N ASP A 33 -1.582 9.352 -3.734 1.00 44.13 N ATOM 469 CA ASP A 33 -2.792 8.850 -3.096 1.00 35.54 C ATOM 470 C ASP A 33 -3.586 9.989 -2.463 1.00 72.52 C ATOM 471 O ASP A 33 -4.432 9.763 -1.599 1.00 52.40 O ATOM 472 CB ASP A 33 -2.440 7.806 -2.034 1.00 45.52 C ATOM 473 CG ASP A 33 -3.608 6.899 -1.703 1.00 12.32 C ATOM 474 OD1 ASP A 33 -4.369 6.549 -2.629 1.00 51.03 O ATOM 475 OD2 ASP A 33 -3.761 6.539 -0.517 1.00 73.23 O ATOM 0 H ASP A 33 -0.779 9.434 -3.110 1.00 44.13 H new ATOM 0 HA ASP A 33 -3.409 8.383 -3.863 1.00 35.54 H new ATOM 0 HB2 ASP A 33 -1.603 7.202 -2.386 1.00 45.52 H new ATOM 0 HB3 ASP A 33 -2.109 8.312 -1.127 1.00 45.52 H new ATOM 480 N ASN A 34 -3.306 11.212 -2.900 1.00 2.11 N ATOM 481 CA ASN A 34 -3.992 12.387 -2.375 1.00 75.12 C ATOM 482 C ASN A 34 -3.698 12.571 -0.890 1.00 22.14 C ATOM 483 O ASN A 34 -4.389 13.318 -0.197 1.00 61.10 O ATOM 484 CB ASN A 34 -5.501 12.262 -2.596 1.00 14.33 C ATOM 485 CG ASN A 34 -5.840 11.438 -3.823 1.00 12.22 C ATOM 486 OD1 ASN A 34 -6.333 10.315 -3.714 1.00 4.25 O ATOM 487 ND2 ASN A 34 -5.577 11.994 -5.000 1.00 0.12 N ATOM 0 H ASN A 34 -2.609 11.416 -3.616 1.00 2.11 H new ATOM 0 HA ASN A 34 -3.623 13.262 -2.911 1.00 75.12 H new ATOM 0 HB2 ASN A 34 -5.957 11.805 -1.718 1.00 14.33 H new ATOM 0 HB3 ASN A 34 -5.934 13.257 -2.699 1.00 14.33 H new ATOM 0 HD21 ASN A 34 -5.784 11.488 -5.861 1.00 0.12 H new ATOM 0 HD22 ASN A 34 -5.168 12.927 -5.043 1.00 0.12 H new ATOM 494 N SER A 35 -2.667 11.885 -0.407 1.00 24.10 N ATOM 495 CA SER A 35 -2.282 11.970 0.997 1.00 61.10 C ATOM 496 C SER A 35 -1.154 12.979 1.191 1.00 14.21 C ATOM 497 O SER A 35 -0.098 12.873 0.570 1.00 51.33 O ATOM 498 CB SER A 35 -1.847 10.597 1.512 1.00 23.34 C ATOM 499 OG SER A 35 -2.642 10.189 2.612 1.00 2.55 O ATOM 0 H SER A 35 -2.083 11.264 -0.967 1.00 24.10 H new ATOM 0 HA SER A 35 -3.149 12.306 1.566 1.00 61.10 H new ATOM 0 HB2 SER A 35 -1.926 9.863 0.710 1.00 23.34 H new ATOM 0 HB3 SER A 35 -0.799 10.632 1.810 1.00 23.34 H new ATOM 0 HG SER A 35 -2.345 9.308 2.921 1.00 2.55 H new ATOM 505 N ASN A 36 -1.388 13.959 2.059 1.00 74.52 N ATOM 506 CA ASN A 36 -0.393 14.988 2.336 1.00 54.35 C ATOM 507 C ASN A 36 0.481 14.595 3.522 1.00 22.11 C ATOM 508 O ASN A 36 -0.004 14.034 4.505 1.00 64.13 O ATOM 509 CB ASN A 36 -1.079 16.327 2.615 1.00 51.32 C ATOM 510 CG ASN A 36 -0.148 17.507 2.411 1.00 53.12 C ATOM 511 OD1 ASN A 36 1.039 17.437 2.729 1.00 40.55 O ATOM 512 ND2 ASN A 36 -0.685 18.599 1.878 1.00 32.24 N ATOM 0 H ASN A 36 -2.258 14.062 2.582 1.00 74.52 H new ATOM 0 HA ASN A 36 0.243 15.089 1.457 1.00 54.35 H new ATOM 0 HB2 ASN A 36 -1.944 16.433 1.960 1.00 51.32 H new ATOM 0 HB3 ASN A 36 -1.452 16.335 3.639 1.00 51.32 H new ATOM 0 HD21 ASN A 36 -0.108 19.425 1.717 1.00 32.24 H new ATOM 0 HD22 ASN A 36 -1.674 18.612 1.630 1.00 32.24 H new ATOM 519 N SER A 37 1.773 14.894 3.423 1.00 34.42 N ATOM 520 CA SER A 37 2.716 14.569 4.486 1.00 20.45 C ATOM 521 C SER A 37 3.655 15.741 4.757 1.00 73.51 C ATOM 522 O SER A 37 4.269 16.283 3.838 1.00 20.11 O ATOM 523 CB SER A 37 3.527 13.326 4.115 1.00 23.21 C ATOM 524 OG SER A 37 2.735 12.396 3.396 1.00 25.14 O ATOM 0 H SER A 37 2.190 15.361 2.617 1.00 34.42 H new ATOM 0 HA SER A 37 2.147 14.365 5.393 1.00 20.45 H new ATOM 0 HB2 SER A 37 4.389 13.616 3.514 1.00 23.21 H new ATOM 0 HB3 SER A 37 3.913 12.857 5.020 1.00 23.21 H new ATOM 0 HG SER A 37 2.918 12.483 2.437 1.00 25.14 H new ATOM 530 N ASP A 38 3.760 16.126 6.024 1.00 60.41 N ATOM 531 CA ASP A 38 4.624 17.232 6.417 1.00 2.43 C ATOM 532 C ASP A 38 6.033 16.738 6.728 1.00 65.23 C ATOM 533 O ASP A 38 6.223 15.870 7.580 1.00 3.15 O ATOM 534 CB ASP A 38 4.043 17.953 7.635 1.00 24.00 C ATOM 535 CG ASP A 38 4.067 17.092 8.883 1.00 74.03 C ATOM 536 OD1 ASP A 38 3.912 15.860 8.755 1.00 33.45 O ATOM 537 OD2 ASP A 38 4.239 17.651 9.986 1.00 32.34 O ATOM 0 H ASP A 38 3.257 15.688 6.796 1.00 60.41 H new ATOM 0 HA ASP A 38 4.680 17.931 5.582 1.00 2.43 H new ATOM 0 HB2 ASP A 38 4.609 18.867 7.817 1.00 24.00 H new ATOM 0 HB3 ASP A 38 3.016 18.251 7.422 1.00 24.00 H new ATOM 542 N ILE A 39 7.017 17.294 6.030 1.00 45.44 N ATOM 543 CA ILE A 39 8.409 16.910 6.231 1.00 71.40 C ATOM 544 C ILE A 39 8.524 15.433 6.592 1.00 60.51 C ATOM 545 O ILE A 39 9.229 15.064 7.532 1.00 44.13 O ATOM 546 CB ILE A 39 9.071 17.750 7.339 1.00 52.32 C ATOM 547 CG1 ILE A 39 8.349 17.537 8.671 1.00 51.31 C ATOM 548 CG2 ILE A 39 9.069 19.223 6.959 1.00 53.45 C ATOM 549 CD1 ILE A 39 7.200 18.495 8.895 1.00 12.13 C ATOM 0 H ILE A 39 6.876 18.012 5.320 1.00 45.44 H new ATOM 0 HA ILE A 39 8.926 17.094 5.289 1.00 71.40 H new ATOM 0 HB ILE A 39 10.105 17.425 7.452 1.00 52.32 H new ATOM 0 HG12 ILE A 39 7.973 16.515 8.712 1.00 51.31 H new ATOM 0 HG13 ILE A 39 9.066 17.645 9.485 1.00 51.31 H new ATOM 0 HG21 ILE A 39 9.540 19.804 7.752 1.00 53.45 H new ATOM 0 HG22 ILE A 39 9.623 19.360 6.030 1.00 53.45 H new ATOM 0 HG23 ILE A 39 8.042 19.562 6.822 1.00 53.45 H new ATOM 0 HD11 ILE A 39 6.735 18.286 9.858 1.00 12.13 H new ATOM 0 HD12 ILE A 39 7.573 19.519 8.887 1.00 12.13 H new ATOM 0 HD13 ILE A 39 6.463 18.371 8.102 1.00 12.13 H new ATOM 561 N THR A 40 7.827 14.588 5.837 1.00 1.43 N ATOM 562 CA THR A 40 7.851 13.151 6.076 1.00 21.05 C ATOM 563 C THR A 40 9.234 12.571 5.804 1.00 44.33 C ATOM 564 O THR A 40 9.707 11.698 6.532 1.00 13.32 O ATOM 565 CB THR A 40 6.818 12.418 5.200 1.00 50.31 C ATOM 566 OG1 THR A 40 6.891 11.007 5.432 1.00 10.24 O ATOM 567 CG2 THR A 40 7.057 12.707 3.726 1.00 51.53 C ATOM 0 H THR A 40 7.239 14.875 5.055 1.00 1.43 H new ATOM 0 HA THR A 40 7.597 13.001 7.126 1.00 21.05 H new ATOM 0 HB THR A 40 5.825 12.779 5.469 1.00 50.31 H new ATOM 0 HG1 THR A 40 6.230 10.549 4.872 1.00 10.24 H new ATOM 0 HG21 THR A 40 6.315 12.179 3.127 1.00 51.53 H new ATOM 0 HG22 THR A 40 6.972 13.779 3.547 1.00 51.53 H new ATOM 0 HG23 THR A 40 8.056 12.371 3.447 1.00 51.53 H new ATOM 575 N ASP A 41 9.879 13.062 4.751 1.00 3.23 N ATOM 576 CA ASP A 41 11.210 12.594 4.383 1.00 24.34 C ATOM 577 C ASP A 41 12.288 13.490 4.986 1.00 53.34 C ATOM 578 O ASP A 41 13.472 13.341 4.684 1.00 14.33 O ATOM 579 CB ASP A 41 11.357 12.551 2.862 1.00 52.15 C ATOM 580 CG ASP A 41 11.044 11.183 2.288 1.00 65.01 C ATOM 581 OD1 ASP A 41 10.300 10.421 2.941 1.00 50.44 O ATOM 582 OD2 ASP A 41 11.544 10.874 1.186 1.00 12.00 O ATOM 0 H ASP A 41 9.501 13.784 4.137 1.00 3.23 H new ATOM 0 HA ASP A 41 11.336 11.587 4.781 1.00 24.34 H new ATOM 0 HB2 ASP A 41 10.692 13.290 2.415 1.00 52.15 H new ATOM 0 HB3 ASP A 41 12.375 12.832 2.590 1.00 52.15 H new ATOM 587 N GLN A 42 11.868 14.421 5.836 1.00 2.24 N ATOM 588 CA GLN A 42 12.798 15.343 6.479 1.00 74.20 C ATOM 589 C GLN A 42 13.471 16.243 5.449 1.00 65.14 C ATOM 590 O GLN A 42 14.469 15.864 4.836 1.00 63.55 O ATOM 591 CB GLN A 42 13.856 14.567 7.266 1.00 53.32 C ATOM 592 CG GLN A 42 13.610 14.554 8.766 1.00 73.42 C ATOM 593 CD GLN A 42 12.153 14.325 9.116 1.00 14.13 C ATOM 594 OE1 GLN A 42 11.678 13.189 9.137 1.00 52.25 O ATOM 595 NE2 GLN A 42 11.434 15.406 9.395 1.00 11.31 N ATOM 0 H GLN A 42 10.891 14.557 6.096 1.00 2.24 H new ATOM 0 HA GLN A 42 12.232 15.970 7.167 1.00 74.20 H new ATOM 0 HB2 GLN A 42 13.887 13.540 6.902 1.00 53.32 H new ATOM 0 HB3 GLN A 42 14.835 15.004 7.071 1.00 53.32 H new ATOM 0 HG2 GLN A 42 14.217 13.772 9.223 1.00 73.42 H new ATOM 0 HG3 GLN A 42 13.938 15.502 9.192 1.00 73.42 H new ATOM 0 HE21 GLN A 42 11.868 16.329 9.366 1.00 11.31 H new ATOM 0 HE22 GLN A 42 10.448 15.314 9.639 1.00 11.31 H new ATOM 604 N VAL A 43 12.919 17.438 5.262 1.00 22.34 N ATOM 605 CA VAL A 43 13.467 18.393 4.307 1.00 61.44 C ATOM 606 C VAL A 43 14.944 18.654 4.577 1.00 45.51 C ATOM 607 O VAL A 43 15.376 18.712 5.729 1.00 43.32 O ATOM 608 CB VAL A 43 12.704 19.730 4.349 1.00 71.21 C ATOM 609 CG1 VAL A 43 12.710 20.304 5.757 1.00 1.04 C ATOM 610 CG2 VAL A 43 13.304 20.717 3.359 1.00 21.12 C ATOM 0 H VAL A 43 12.092 17.767 5.760 1.00 22.34 H new ATOM 0 HA VAL A 43 13.354 17.951 3.317 1.00 61.44 H new ATOM 0 HB VAL A 43 11.669 19.547 4.062 1.00 71.21 H new ATOM 0 HG11 VAL A 43 12.166 21.249 5.767 1.00 1.04 H new ATOM 0 HG12 VAL A 43 12.230 19.602 6.438 1.00 1.04 H new ATOM 0 HG13 VAL A 43 13.738 20.474 6.076 1.00 1.04 H new ATOM 0 HG21 VAL A 43 12.753 21.656 3.402 1.00 21.12 H new ATOM 0 HG22 VAL A 43 14.349 20.898 3.613 1.00 21.12 H new ATOM 0 HG23 VAL A 43 13.241 20.305 2.352 1.00 21.12 H new ATOM 620 N THR A 44 15.717 18.813 3.507 1.00 43.02 N ATOM 621 CA THR A 44 17.147 19.068 3.628 1.00 41.34 C ATOM 622 C THR A 44 17.442 20.564 3.614 1.00 34.14 C ATOM 623 O THR A 44 17.021 21.281 2.706 1.00 33.35 O ATOM 624 CB THR A 44 17.937 18.391 2.492 1.00 53.04 C ATOM 625 OG1 THR A 44 17.157 17.339 1.912 1.00 14.32 O ATOM 626 CG2 THR A 44 19.252 17.828 3.008 1.00 43.11 C ATOM 0 H THR A 44 15.376 18.770 2.547 1.00 43.02 H new ATOM 0 HA THR A 44 17.463 18.646 4.582 1.00 41.34 H new ATOM 0 HB THR A 44 18.155 19.142 1.733 1.00 53.04 H new ATOM 0 HG1 THR A 44 16.823 17.624 1.036 1.00 14.32 H new ATOM 0 HG21 THR A 44 19.792 17.355 2.188 1.00 43.11 H new ATOM 0 HG22 THR A 44 19.856 18.635 3.422 1.00 43.11 H new ATOM 0 HG23 THR A 44 19.052 17.090 3.784 1.00 43.11 H new ATOM 634 N TRP A 45 18.167 21.028 4.625 1.00 12.04 N ATOM 635 CA TRP A 45 18.518 22.440 4.729 1.00 62.20 C ATOM 636 C TRP A 45 19.923 22.692 4.192 1.00 13.00 C ATOM 637 O TRP A 45 20.864 21.974 4.529 1.00 3.12 O ATOM 638 CB TRP A 45 18.424 22.905 6.183 1.00 34.31 C ATOM 639 CG TRP A 45 19.171 22.024 7.138 1.00 34.32 C ATOM 640 CD1 TRP A 45 18.683 20.933 7.799 1.00 31.33 C ATOM 641 CD2 TRP A 45 20.538 22.161 7.540 1.00 71.30 C ATOM 642 NE1 TRP A 45 19.665 20.383 8.588 1.00 51.30 N ATOM 643 CE2 TRP A 45 20.812 21.118 8.446 1.00 64.40 C ATOM 644 CE3 TRP A 45 21.558 23.062 7.221 1.00 34.52 C ATOM 645 CZ2 TRP A 45 22.063 20.954 9.035 1.00 21.14 C ATOM 646 CZ3 TRP A 45 22.798 22.898 7.807 1.00 22.13 C ATOM 647 CH2 TRP A 45 23.043 21.850 8.705 1.00 12.44 C ATOM 0 H TRP A 45 18.523 20.448 5.384 1.00 12.04 H new ATOM 0 HA TRP A 45 17.811 23.010 4.127 1.00 62.20 H new ATOM 0 HB2 TRP A 45 18.812 23.921 6.258 1.00 34.31 H new ATOM 0 HB3 TRP A 45 17.375 22.942 6.478 1.00 34.31 H new ATOM 0 HD1 TRP A 45 17.674 20.558 7.714 1.00 31.33 H new ATOM 0 HE1 TRP A 45 19.557 19.561 9.183 1.00 51.30 H new ATOM 0 HE3 TRP A 45 21.380 23.872 6.529 1.00 34.52 H new ATOM 0 HZ2 TRP A 45 22.253 20.148 9.728 1.00 21.14 H new ATOM 0 HZ3 TRP A 45 23.593 23.589 7.569 1.00 22.13 H new ATOM 0 HH2 TRP A 45 24.024 21.748 9.145 1.00 12.44 H new ATOM 658 N ASP A 46 20.057 23.715 3.356 1.00 53.34 N ATOM 659 CA ASP A 46 21.348 24.063 2.773 1.00 33.30 C ATOM 660 C ASP A 46 21.419 25.554 2.460 1.00 10.11 C ATOM 661 O ASP A 46 20.433 26.157 2.037 1.00 0.51 O ATOM 662 CB ASP A 46 21.593 23.250 1.501 1.00 75.31 C ATOM 663 CG ASP A 46 22.287 21.931 1.781 1.00 40.51 C ATOM 664 OD1 ASP A 46 21.586 20.946 2.089 1.00 34.41 O ATOM 665 OD2 ASP A 46 23.532 21.886 1.693 1.00 61.02 O ATOM 0 H ASP A 46 19.287 24.318 3.066 1.00 53.34 H new ATOM 0 HA ASP A 46 22.123 23.826 3.501 1.00 33.30 H new ATOM 0 HB2 ASP A 46 20.641 23.058 1.007 1.00 75.31 H new ATOM 0 HB3 ASP A 46 22.198 23.836 0.810 1.00 75.31 H new ATOM 670 N SER A 47 22.592 26.143 2.672 1.00 72.41 N ATOM 671 CA SER A 47 22.791 27.565 2.417 1.00 34.42 C ATOM 672 C SER A 47 24.034 27.795 1.563 1.00 31.15 C ATOM 673 O SER A 47 24.997 27.031 1.631 1.00 73.15 O ATOM 674 CB SER A 47 22.916 28.328 3.737 1.00 54.20 C ATOM 675 OG SER A 47 24.271 28.435 4.138 1.00 54.53 O ATOM 0 H SER A 47 23.419 25.657 3.020 1.00 72.41 H new ATOM 0 HA SER A 47 21.924 27.937 1.872 1.00 34.42 H new ATOM 0 HB2 SER A 47 22.486 29.324 3.627 1.00 54.20 H new ATOM 0 HB3 SER A 47 22.344 27.817 4.511 1.00 54.20 H new ATOM 0 HG SER A 47 24.321 28.469 5.116 1.00 54.53 H new ATOM 681 N SER A 48 24.005 28.854 0.761 1.00 40.02 N ATOM 682 CA SER A 48 25.127 29.184 -0.110 1.00 3.23 C ATOM 683 C SER A 48 26.351 29.583 0.709 1.00 22.14 C ATOM 684 O SER A 48 27.481 29.519 0.228 1.00 24.51 O ATOM 685 CB SER A 48 24.745 30.319 -1.062 1.00 11.13 C ATOM 686 OG SER A 48 25.420 30.194 -2.301 1.00 41.23 O ATOM 0 H SER A 48 23.217 29.498 0.696 1.00 40.02 H new ATOM 0 HA SER A 48 25.374 28.297 -0.694 1.00 3.23 H new ATOM 0 HB2 SER A 48 23.668 30.311 -1.229 1.00 11.13 H new ATOM 0 HB3 SER A 48 24.990 31.278 -0.606 1.00 11.13 H new ATOM 0 HG SER A 48 25.158 30.930 -2.892 1.00 41.23 H new ATOM 692 N ASN A 49 26.116 29.995 1.951 1.00 52.32 N ATOM 693 CA ASN A 49 27.198 30.405 2.838 1.00 1.51 C ATOM 694 C ASN A 49 27.874 31.672 2.322 1.00 10.21 C ATOM 695 O ASN A 49 27.928 31.914 1.116 1.00 54.12 O ATOM 696 CB ASN A 49 28.229 29.283 2.972 1.00 33.44 C ATOM 697 CG ASN A 49 29.129 29.465 4.179 1.00 13.22 C ATOM 698 OD1 ASN A 49 30.256 29.945 4.060 1.00 51.41 O ATOM 699 ND2 ASN A 49 28.633 29.081 5.350 1.00 43.20 N ATOM 0 H ASN A 49 25.186 30.054 2.365 1.00 52.32 H new ATOM 0 HA ASN A 49 26.770 30.615 3.818 1.00 1.51 H new ATOM 0 HB2 ASN A 49 27.713 28.326 3.048 1.00 33.44 H new ATOM 0 HB3 ASN A 49 28.839 29.245 2.070 1.00 33.44 H new ATOM 0 HD21 ASN A 49 29.192 29.179 6.198 1.00 43.20 H new ATOM 0 HD22 ASN A 49 27.693 28.688 5.402 1.00 43.20 H new ATOM 706 N THR A 50 28.390 32.479 3.244 1.00 22.24 N ATOM 707 CA THR A 50 29.062 33.721 2.884 1.00 62.31 C ATOM 708 C THR A 50 29.950 34.216 4.020 1.00 34.33 C ATOM 709 O THR A 50 31.176 34.218 3.908 1.00 75.55 O ATOM 710 CB THR A 50 28.049 34.823 2.522 1.00 60.05 C ATOM 711 OG1 THR A 50 28.536 36.098 2.955 1.00 63.12 O ATOM 712 CG2 THR A 50 26.697 34.547 3.162 1.00 70.13 C ATOM 0 H THR A 50 28.355 32.294 4.246 1.00 22.24 H new ATOM 0 HA THR A 50 29.680 33.505 2.012 1.00 62.31 H new ATOM 0 HB THR A 50 27.926 34.830 1.439 1.00 60.05 H new ATOM 0 HG1 THR A 50 27.887 36.793 2.720 1.00 63.12 H new ATOM 0 HG21 THR A 50 25.998 35.339 2.892 1.00 70.13 H new ATOM 0 HG22 THR A 50 26.315 33.590 2.807 1.00 70.13 H new ATOM 0 HG23 THR A 50 26.807 34.515 4.246 1.00 70.13 H new ATOM 720 N ASP A 51 29.323 34.634 5.114 1.00 1.05 N ATOM 721 CA ASP A 51 30.057 35.130 6.273 1.00 32.11 C ATOM 722 C ASP A 51 29.768 34.277 7.505 1.00 40.32 C ATOM 723 O ASP A 51 30.686 33.766 8.147 1.00 41.13 O ATOM 724 CB ASP A 51 29.690 36.589 6.550 1.00 73.41 C ATOM 725 CG ASP A 51 30.880 37.519 6.422 1.00 14.34 C ATOM 726 OD1 ASP A 51 31.772 37.465 7.295 1.00 51.12 O ATOM 727 OD2 ASP A 51 30.919 38.301 5.450 1.00 42.22 O ATOM 0 H ASP A 51 28.309 34.639 5.223 1.00 1.05 H new ATOM 0 HA ASP A 51 31.122 35.067 6.051 1.00 32.11 H new ATOM 0 HB2 ASP A 51 28.911 36.903 5.855 1.00 73.41 H new ATOM 0 HB3 ASP A 51 29.274 36.672 7.554 1.00 73.41 H new ATOM 732 N ILE A 52 28.488 34.130 7.829 1.00 70.51 N ATOM 733 CA ILE A 52 28.079 33.339 8.983 1.00 1.13 C ATOM 734 C ILE A 52 26.567 33.143 9.007 1.00 21.43 C ATOM 735 O ILE A 52 25.812 34.081 9.267 1.00 60.42 O ATOM 736 CB ILE A 52 28.521 34.000 10.303 1.00 73.43 C ATOM 737 CG1 ILE A 52 27.925 33.251 11.497 1.00 4.32 C ATOM 738 CG2 ILE A 52 28.106 35.463 10.327 1.00 14.03 C ATOM 739 CD1 ILE A 52 28.270 31.779 11.520 1.00 30.52 C ATOM 0 H ILE A 52 27.717 34.548 7.309 1.00 70.51 H new ATOM 0 HA ILE A 52 28.567 32.369 8.890 1.00 1.13 H new ATOM 0 HB ILE A 52 29.608 33.950 10.372 1.00 73.43 H new ATOM 0 HG12 ILE A 52 28.279 33.713 12.419 1.00 4.32 H new ATOM 0 HG13 ILE A 52 26.841 33.362 11.480 1.00 4.32 H new ATOM 0 HG21 ILE A 52 28.425 35.916 11.265 1.00 14.03 H new ATOM 0 HG22 ILE A 52 28.573 35.987 9.493 1.00 14.03 H new ATOM 0 HG23 ILE A 52 27.022 35.535 10.239 1.00 14.03 H new ATOM 0 HD11 ILE A 52 27.814 31.312 12.393 1.00 30.52 H new ATOM 0 HD12 ILE A 52 27.892 31.303 10.615 1.00 30.52 H new ATOM 0 HD13 ILE A 52 29.352 31.660 11.568 1.00 30.52 H new ATOM 751 N LEU A 53 26.131 31.917 8.737 1.00 41.30 N ATOM 752 CA LEU A 53 24.708 31.596 8.729 1.00 21.13 C ATOM 753 C LEU A 53 24.484 30.111 8.996 1.00 71.12 C ATOM 754 O LEU A 53 25.313 29.274 8.638 1.00 35.33 O ATOM 755 CB LEU A 53 24.085 31.985 7.388 1.00 75.23 C ATOM 756 CG LEU A 53 24.712 31.349 6.147 1.00 50.25 C ATOM 757 CD1 LEU A 53 23.661 31.132 5.069 1.00 61.10 C ATOM 758 CD2 LEU A 53 25.847 32.215 5.620 1.00 2.01 C ATOM 0 H LEU A 53 26.742 31.130 8.521 1.00 41.30 H new ATOM 0 HA LEU A 53 24.227 32.166 9.524 1.00 21.13 H new ATOM 0 HB2 LEU A 53 23.027 31.722 7.412 1.00 75.23 H new ATOM 0 HB3 LEU A 53 24.142 33.069 7.284 1.00 75.23 H new ATOM 0 HG LEU A 53 25.121 30.378 6.427 1.00 50.25 H new ATOM 0 HD11 LEU A 53 24.126 30.679 4.194 1.00 61.10 H new ATOM 0 HD12 LEU A 53 22.881 30.472 5.449 1.00 61.10 H new ATOM 0 HD13 LEU A 53 23.222 32.090 4.791 1.00 61.10 H new ATOM 0 HD21 LEU A 53 26.282 31.747 4.737 1.00 2.01 H new ATOM 0 HD22 LEU A 53 25.461 33.200 5.356 1.00 2.01 H new ATOM 0 HD23 LEU A 53 26.612 32.319 6.389 1.00 2.01 H new ATOM 770 N SER A 54 23.357 29.791 9.624 1.00 0.22 N ATOM 771 CA SER A 54 23.024 28.407 9.940 1.00 1.10 C ATOM 772 C SER A 54 21.553 28.123 9.653 1.00 52.21 C ATOM 773 O SER A 54 20.686 28.958 9.913 1.00 1.32 O ATOM 774 CB SER A 54 23.336 28.107 11.407 1.00 1.45 C ATOM 775 OG SER A 54 24.458 27.250 11.525 1.00 21.24 O ATOM 0 H SER A 54 22.659 30.472 9.924 1.00 0.22 H new ATOM 0 HA SER A 54 23.631 27.760 9.307 1.00 1.10 H new ATOM 0 HB2 SER A 54 23.529 29.039 11.939 1.00 1.45 H new ATOM 0 HB3 SER A 54 22.469 27.644 11.879 1.00 1.45 H new ATOM 0 HG SER A 54 24.638 27.075 12.472 1.00 21.24 H new ATOM 781 N ILE A 55 21.279 26.939 9.115 1.00 44.40 N ATOM 782 CA ILE A 55 19.914 26.544 8.793 1.00 13.22 C ATOM 783 C ILE A 55 19.518 25.276 9.541 1.00 32.24 C ATOM 784 O ILE A 55 20.227 24.271 9.499 1.00 25.14 O ATOM 785 CB ILE A 55 19.736 26.311 7.281 1.00 5.42 C ATOM 786 CG1 ILE A 55 20.522 27.357 6.487 1.00 61.45 C ATOM 787 CG2 ILE A 55 18.262 26.353 6.908 1.00 21.32 C ATOM 788 CD1 ILE A 55 20.139 28.782 6.819 1.00 22.31 C ATOM 0 H ILE A 55 21.985 26.237 8.893 1.00 44.40 H new ATOM 0 HA ILE A 55 19.267 27.364 9.104 1.00 13.22 H new ATOM 0 HB ILE A 55 20.125 25.324 7.032 1.00 5.42 H new ATOM 0 HG12 ILE A 55 21.587 27.222 6.678 1.00 61.45 H new ATOM 0 HG13 ILE A 55 20.365 27.186 5.422 1.00 61.45 H new ATOM 0 HG21 ILE A 55 18.153 26.187 5.836 1.00 21.32 H new ATOM 0 HG22 ILE A 55 17.727 25.575 7.452 1.00 21.32 H new ATOM 0 HG23 ILE A 55 17.849 27.328 7.168 1.00 21.32 H new ATOM 0 HD11 ILE A 55 20.736 29.469 6.219 1.00 22.31 H new ATOM 0 HD12 ILE A 55 19.082 28.935 6.601 1.00 22.31 H new ATOM 0 HD13 ILE A 55 20.322 28.971 7.877 1.00 22.31 H new ATOM 800 N SER A 56 18.379 25.329 10.224 1.00 13.44 N ATOM 801 CA SER A 56 17.888 24.185 10.984 1.00 44.30 C ATOM 802 C SER A 56 16.473 23.813 10.553 1.00 41.04 C ATOM 803 O SER A 56 15.561 24.637 10.601 1.00 41.25 O ATOM 804 CB SER A 56 17.913 24.493 12.482 1.00 32.24 C ATOM 805 OG SER A 56 19.170 24.167 13.050 1.00 71.14 O ATOM 0 H SER A 56 17.778 26.152 10.267 1.00 13.44 H new ATOM 0 HA SER A 56 18.544 23.338 10.783 1.00 44.30 H new ATOM 0 HB2 SER A 56 17.701 25.550 12.642 1.00 32.24 H new ATOM 0 HB3 SER A 56 17.126 23.931 12.985 1.00 32.24 H new ATOM 0 HG SER A 56 19.160 24.375 14.008 1.00 71.14 H new ATOM 811 N ASN A 57 16.299 22.565 10.131 1.00 32.41 N ATOM 812 CA ASN A 57 14.995 22.082 9.690 1.00 22.22 C ATOM 813 C ASN A 57 14.644 20.764 10.374 1.00 74.02 C ATOM 814 O ASN A 57 13.918 19.940 9.819 1.00 73.40 O ATOM 815 CB ASN A 57 14.982 21.901 8.171 1.00 24.50 C ATOM 816 CG ASN A 57 15.116 23.217 7.430 1.00 14.25 C ATOM 817 OD1 ASN A 57 15.327 24.266 8.040 1.00 52.15 O ATOM 818 ND2 ASN A 57 14.992 23.168 6.109 1.00 20.12 N ATOM 0 H ASN A 57 17.044 21.870 10.085 1.00 32.41 H new ATOM 0 HA ASN A 57 14.247 22.825 9.967 1.00 22.22 H new ATOM 0 HB2 ASN A 57 15.797 21.239 7.880 1.00 24.50 H new ATOM 0 HB3 ASN A 57 14.054 21.413 7.874 1.00 24.50 H new ATOM 0 HD21 ASN A 57 15.071 24.022 5.557 1.00 20.12 H new ATOM 0 HD22 ASN A 57 14.818 22.276 5.646 1.00 20.12 H new ATOM 825 N ALA A 58 15.163 20.573 11.582 1.00 3.30 N ATOM 826 CA ALA A 58 14.902 19.358 12.343 1.00 63.43 C ATOM 827 C ALA A 58 14.853 19.646 13.839 1.00 14.42 C ATOM 828 O ALA A 58 14.944 18.734 14.660 1.00 2.25 O ATOM 829 CB ALA A 58 15.962 18.308 12.041 1.00 40.44 C ATOM 0 H ALA A 58 15.767 21.245 12.055 1.00 3.30 H new ATOM 0 HA ALA A 58 13.928 18.973 12.042 1.00 63.43 H new ATOM 0 HB1 ALA A 58 15.755 17.406 12.616 1.00 40.44 H new ATOM 0 HB2 ALA A 58 15.947 18.071 10.977 1.00 40.44 H new ATOM 0 HB3 ALA A 58 16.944 18.694 12.313 1.00 40.44 H new ATOM 835 N SER A 59 14.708 20.921 14.187 1.00 54.23 N ATOM 836 CA SER A 59 14.650 21.331 15.585 1.00 23.51 C ATOM 837 C SER A 59 13.412 20.759 16.268 1.00 32.43 C ATOM 838 O SER A 59 13.353 20.666 17.494 1.00 32.15 O ATOM 839 CB SER A 59 14.647 22.857 15.692 1.00 33.30 C ATOM 840 OG SER A 59 15.719 23.314 16.498 1.00 70.02 O ATOM 0 H SER A 59 14.629 21.688 13.519 1.00 54.23 H new ATOM 0 HA SER A 59 15.534 20.941 16.089 1.00 23.51 H new ATOM 0 HB2 SER A 59 14.724 23.295 14.697 1.00 33.30 H new ATOM 0 HB3 SER A 59 13.701 23.193 16.116 1.00 33.30 H new ATOM 0 HG SER A 59 15.696 24.292 16.549 1.00 70.02 H new ATOM 846 N ASP A 60 12.425 20.377 15.466 1.00 74.24 N ATOM 847 CA ASP A 60 11.187 19.813 15.991 1.00 33.31 C ATOM 848 C ASP A 60 10.228 19.457 14.859 1.00 51.40 C ATOM 849 O ASP A 60 9.484 18.480 14.946 1.00 41.52 O ATOM 850 CB ASP A 60 10.519 20.799 16.951 1.00 21.40 C ATOM 851 CG ASP A 60 10.200 20.173 18.294 1.00 31.44 C ATOM 852 OD1 ASP A 60 9.313 19.294 18.344 1.00 1.35 O ATOM 853 OD2 ASP A 60 10.837 20.560 19.296 1.00 44.25 O ATOM 0 H ASP A 60 12.458 20.448 14.449 1.00 74.24 H new ATOM 0 HA ASP A 60 11.434 18.900 16.533 1.00 33.31 H new ATOM 0 HB2 ASP A 60 11.174 21.657 17.100 1.00 21.40 H new ATOM 0 HB3 ASP A 60 9.600 21.174 16.501 1.00 21.40 H new ATOM 858 N SER A 61 10.250 20.258 13.798 1.00 24.20 N ATOM 859 CA SER A 61 9.380 20.031 12.651 1.00 73.24 C ATOM 860 C SER A 61 9.593 21.102 11.586 1.00 45.50 C ATOM 861 O SER A 61 10.210 20.851 10.550 1.00 30.21 O ATOM 862 CB SER A 61 7.914 20.018 13.090 1.00 24.42 C ATOM 863 OG SER A 61 7.738 20.736 14.299 1.00 41.33 O ATOM 0 H SER A 61 10.861 21.070 13.710 1.00 24.20 H new ATOM 0 HA SER A 61 9.633 19.061 12.222 1.00 73.24 H new ATOM 0 HB2 SER A 61 7.293 20.457 12.309 1.00 24.42 H new ATOM 0 HB3 SER A 61 7.580 18.989 13.222 1.00 24.42 H new ATOM 0 HG SER A 61 6.793 20.714 14.558 1.00 41.33 H new ATOM 869 N HIS A 62 9.079 22.300 11.849 1.00 62.21 N ATOM 870 CA HIS A 62 9.214 23.412 10.914 1.00 34.53 C ATOM 871 C HIS A 62 10.677 23.814 10.756 1.00 54.31 C ATOM 872 O HIS A 62 11.472 23.677 11.684 1.00 4.40 O ATOM 873 CB HIS A 62 8.392 24.609 11.392 1.00 54.01 C ATOM 874 CG HIS A 62 8.968 25.290 12.595 1.00 20.52 C ATOM 875 ND1 HIS A 62 9.058 26.660 12.714 1.00 52.44 N ATOM 876 CD2 HIS A 62 9.484 24.780 13.738 1.00 2.00 C ATOM 877 CE1 HIS A 62 9.606 26.965 13.876 1.00 31.45 C ATOM 878 NE2 HIS A 62 9.874 25.841 14.518 1.00 54.34 N ATOM 0 H HIS A 62 8.566 22.525 12.701 1.00 62.21 H new ATOM 0 HA HIS A 62 8.839 23.087 9.944 1.00 34.53 H new ATOM 0 HB2 HIS A 62 8.311 25.331 10.580 1.00 54.01 H new ATOM 0 HB3 HIS A 62 7.380 24.275 11.623 1.00 54.01 H new ATOM 0 HD2 HIS A 62 9.572 23.733 13.990 1.00 2.00 H new ATOM 0 HE1 HIS A 62 9.802 27.963 14.240 1.00 31.45 H new ATOM 0 HE2 HIS A 62 10.301 25.773 15.442 1.00 54.34 H new ATOM 886 N GLY A 63 11.024 24.311 9.573 1.00 41.35 N ATOM 887 CA GLY A 63 12.391 24.725 9.314 1.00 12.21 C ATOM 888 C GLY A 63 12.533 26.232 9.222 1.00 32.42 C ATOM 889 O GLY A 63 11.547 26.945 9.030 1.00 3.13 O ATOM 0 H GLY A 63 10.383 24.434 8.789 1.00 41.35 H new ATOM 0 HA2 GLY A 63 13.037 24.350 10.107 1.00 12.21 H new ATOM 0 HA3 GLY A 63 12.734 24.273 8.383 1.00 12.21 H new ATOM 893 N LEU A 64 13.761 26.718 9.361 1.00 62.21 N ATOM 894 CA LEU A 64 14.029 28.150 9.294 1.00 2.30 C ATOM 895 C LEU A 64 15.486 28.415 8.926 1.00 14.33 C ATOM 896 O LEU A 64 16.260 27.484 8.706 1.00 53.40 O ATOM 897 CB LEU A 64 13.700 28.814 10.633 1.00 64.44 C ATOM 898 CG LEU A 64 14.135 28.051 11.884 1.00 31.44 C ATOM 899 CD1 LEU A 64 13.188 26.893 12.159 1.00 20.24 C ATOM 900 CD2 LEU A 64 15.564 27.549 11.734 1.00 12.33 C ATOM 0 H LEU A 64 14.587 26.141 9.521 1.00 62.21 H new ATOM 0 HA LEU A 64 13.394 28.577 8.518 1.00 2.30 H new ATOM 0 HB2 LEU A 64 14.166 29.799 10.652 1.00 64.44 H new ATOM 0 HB3 LEU A 64 12.622 28.971 10.683 1.00 64.44 H new ATOM 0 HG LEU A 64 14.098 28.734 12.733 1.00 31.44 H new ATOM 0 HD11 LEU A 64 13.513 26.361 13.053 1.00 20.24 H new ATOM 0 HD12 LEU A 64 12.179 27.276 12.312 1.00 20.24 H new ATOM 0 HD13 LEU A 64 13.192 26.210 11.309 1.00 20.24 H new ATOM 0 HD21 LEU A 64 15.856 27.008 12.634 1.00 12.33 H new ATOM 0 HD22 LEU A 64 15.627 26.882 10.874 1.00 12.33 H new ATOM 0 HD23 LEU A 64 16.234 28.396 11.586 1.00 12.33 H new ATOM 912 N ALA A 65 15.852 29.691 8.864 1.00 0.21 N ATOM 913 CA ALA A 65 17.216 30.079 8.528 1.00 63.43 C ATOM 914 C ALA A 65 17.640 31.323 9.300 1.00 11.41 C ATOM 915 O ALA A 65 16.935 32.332 9.305 1.00 51.54 O ATOM 916 CB ALA A 65 17.344 30.316 7.030 1.00 34.42 C ATOM 0 H ALA A 65 15.223 30.474 9.042 1.00 0.21 H new ATOM 0 HA ALA A 65 17.880 29.263 8.814 1.00 63.43 H new ATOM 0 HB1 ALA A 65 18.368 30.605 6.794 1.00 34.42 H new ATOM 0 HB2 ALA A 65 17.092 29.401 6.494 1.00 34.42 H new ATOM 0 HB3 ALA A 65 16.663 31.112 6.728 1.00 34.42 H new ATOM 922 N SER A 66 18.795 31.245 9.953 1.00 70.40 N ATOM 923 CA SER A 66 19.310 32.364 10.733 1.00 61.11 C ATOM 924 C SER A 66 20.609 32.893 10.132 1.00 72.21 C ATOM 925 O SER A 66 21.491 32.122 9.751 1.00 34.14 O ATOM 926 CB SER A 66 19.543 31.938 12.184 1.00 73.32 C ATOM 927 OG SER A 66 19.389 33.034 13.068 1.00 11.13 O ATOM 0 H SER A 66 19.392 30.418 9.957 1.00 70.40 H new ATOM 0 HA SER A 66 18.568 33.162 10.711 1.00 61.11 H new ATOM 0 HB2 SER A 66 18.840 31.149 12.452 1.00 73.32 H new ATOM 0 HB3 SER A 66 20.545 31.521 12.288 1.00 73.32 H new ATOM 0 HG SER A 66 19.541 32.735 13.989 1.00 11.13 H new ATOM 933 N THR A 67 20.720 34.215 10.049 1.00 11.11 N ATOM 934 CA THR A 67 21.909 34.849 9.494 1.00 71.23 C ATOM 935 C THR A 67 22.499 35.861 10.469 1.00 31.01 C ATOM 936 O THR A 67 21.791 36.409 11.315 1.00 31.12 O ATOM 937 CB THR A 67 21.598 35.558 8.162 1.00 73.50 C ATOM 938 OG1 THR A 67 20.327 35.125 7.662 1.00 4.22 O ATOM 939 CG2 THR A 67 22.679 35.270 7.131 1.00 55.33 C ATOM 0 H THR A 67 20.000 34.868 10.359 1.00 11.11 H new ATOM 0 HA THR A 67 22.635 34.056 9.314 1.00 71.23 H new ATOM 0 HB THR A 67 21.569 36.632 8.345 1.00 73.50 H new ATOM 0 HG1 THR A 67 20.444 34.724 6.776 1.00 4.22 H new ATOM 0 HG21 THR A 67 22.438 35.781 6.199 1.00 55.33 H new ATOM 0 HG22 THR A 67 23.640 35.626 7.502 1.00 55.33 H new ATOM 0 HG23 THR A 67 22.735 34.196 6.952 1.00 55.33 H new ATOM 947 N LEU A 68 23.799 36.106 10.346 1.00 73.11 N ATOM 948 CA LEU A 68 24.485 37.054 11.217 1.00 54.11 C ATOM 949 C LEU A 68 25.597 37.778 10.465 1.00 11.01 C ATOM 950 O LEU A 68 26.711 37.917 10.968 1.00 60.51 O ATOM 951 CB LEU A 68 25.063 36.332 12.435 1.00 61.41 C ATOM 952 CG LEU A 68 24.119 35.369 13.155 1.00 34.14 C ATOM 953 CD1 LEU A 68 24.165 33.993 12.510 1.00 73.31 C ATOM 954 CD2 LEU A 68 24.473 35.279 14.633 1.00 43.45 C ATOM 0 H LEU A 68 24.399 35.661 9.651 1.00 73.11 H new ATOM 0 HA LEU A 68 23.758 37.793 11.552 1.00 54.11 H new ATOM 0 HB2 LEU A 68 25.945 35.775 12.118 1.00 61.41 H new ATOM 0 HB3 LEU A 68 25.400 37.082 13.151 1.00 61.41 H new ATOM 0 HG LEU A 68 23.103 35.755 13.068 1.00 34.14 H new ATOM 0 HD11 LEU A 68 23.487 33.322 13.036 1.00 73.31 H new ATOM 0 HD12 LEU A 68 23.862 34.070 11.466 1.00 73.31 H new ATOM 0 HD13 LEU A 68 25.180 33.599 12.565 1.00 73.31 H new ATOM 0 HD21 LEU A 68 23.790 34.589 15.129 1.00 43.45 H new ATOM 0 HD22 LEU A 68 25.496 34.918 14.741 1.00 43.45 H new ATOM 0 HD23 LEU A 68 24.386 36.265 15.089 1.00 43.45 H new ATOM 966 N ASN A 69 25.285 38.240 9.258 1.00 22.43 N ATOM 967 CA ASN A 69 26.258 38.951 8.437 1.00 1.35 C ATOM 968 C ASN A 69 25.574 40.013 7.581 1.00 64.53 C ATOM 969 O ASN A 69 24.349 40.131 7.583 1.00 25.21 O ATOM 970 CB ASN A 69 27.017 37.969 7.543 1.00 5.21 C ATOM 971 CG ASN A 69 26.119 37.311 6.514 1.00 40.01 C ATOM 972 OD1 ASN A 69 25.683 37.949 5.556 1.00 60.04 O ATOM 973 ND2 ASN A 69 25.838 36.028 6.709 1.00 72.14 N ATOM 0 H ASN A 69 24.366 38.135 8.827 1.00 22.43 H new ATOM 0 HA ASN A 69 26.965 39.446 9.102 1.00 1.35 H new ATOM 0 HB2 ASN A 69 27.824 38.495 7.033 1.00 5.21 H new ATOM 0 HB3 ASN A 69 27.479 37.200 8.163 1.00 5.21 H new ATOM 0 HD21 ASN A 69 25.238 35.531 6.050 1.00 72.14 H new ATOM 0 HD22 ASN A 69 26.222 35.539 7.518 1.00 72.14 H new ATOM 980 N GLN A 70 26.375 40.781 6.849 1.00 22.22 N ATOM 981 CA GLN A 70 25.847 41.832 5.988 1.00 71.02 C ATOM 982 C GLN A 70 26.049 41.483 4.517 1.00 42.41 C ATOM 983 O GLN A 70 26.599 42.274 3.751 1.00 32.11 O ATOM 984 CB GLN A 70 26.522 43.168 6.305 1.00 34.41 C ATOM 985 CG GLN A 70 28.040 43.107 6.263 1.00 0.31 C ATOM 986 CD GLN A 70 28.656 44.340 5.632 1.00 52.43 C ATOM 987 OE1 GLN A 70 28.341 44.693 4.495 1.00 55.21 O ATOM 988 NE2 GLN A 70 29.540 45.004 6.368 1.00 73.13 N ATOM 0 H GLN A 70 27.391 40.695 6.835 1.00 22.22 H new ATOM 0 HA GLN A 70 24.777 41.920 6.178 1.00 71.02 H new ATOM 0 HB2 GLN A 70 26.177 43.918 5.593 1.00 34.41 H new ATOM 0 HB3 GLN A 70 26.207 43.499 7.295 1.00 34.41 H new ATOM 0 HG2 GLN A 70 28.423 42.992 7.277 1.00 0.31 H new ATOM 0 HG3 GLN A 70 28.349 42.224 5.703 1.00 0.31 H new ATOM 0 HE21 GLN A 70 29.772 44.676 7.306 1.00 73.13 H new ATOM 0 HE22 GLN A 70 29.987 45.842 5.996 1.00 73.13 H new ATOM 997 N GLY A 71 25.601 40.293 4.129 1.00 40.24 N ATOM 998 CA GLY A 71 25.743 39.861 2.751 1.00 73.34 C ATOM 999 C GLY A 71 24.514 39.133 2.242 1.00 21.21 C ATOM 1000 O GLY A 71 23.482 39.101 2.911 1.00 3.11 O ATOM 0 H GLY A 71 25.143 39.621 4.744 1.00 40.24 H new ATOM 0 HA2 GLY A 71 25.935 40.728 2.120 1.00 73.34 H new ATOM 0 HA3 GLY A 71 26.610 39.206 2.666 1.00 73.34 H new ATOM 1004 N ASN A 72 24.624 38.548 1.054 1.00 64.31 N ATOM 1005 CA ASN A 72 23.512 37.819 0.455 1.00 64.41 C ATOM 1006 C ASN A 72 23.811 36.324 0.395 1.00 65.33 C ATOM 1007 O ASN A 72 24.942 35.916 0.128 1.00 40.02 O ATOM 1008 CB ASN A 72 23.225 38.350 -0.951 1.00 64.40 C ATOM 1009 CG ASN A 72 24.458 38.938 -1.610 1.00 23.33 C ATOM 1010 OD1 ASN A 72 25.547 38.367 -1.537 1.00 75.33 O ATOM 1011 ND2 ASN A 72 24.293 40.085 -2.257 1.00 14.42 N ATOM 0 H ASN A 72 25.472 38.564 0.487 1.00 64.31 H new ATOM 0 HA ASN A 72 22.632 37.971 1.080 1.00 64.41 H new ATOM 0 HB2 ASN A 72 22.837 37.541 -1.570 1.00 64.40 H new ATOM 0 HB3 ASN A 72 22.447 39.112 -0.897 1.00 64.40 H new ATOM 0 HD21 ASN A 72 25.087 40.528 -2.719 1.00 14.42 H new ATOM 0 HD22 ASN A 72 23.372 40.523 -2.292 1.00 14.42 H new ATOM 1018 N VAL A 73 22.790 35.511 0.644 1.00 32.24 N ATOM 1019 CA VAL A 73 22.942 34.061 0.617 1.00 21.00 C ATOM 1020 C VAL A 73 21.808 33.404 -0.162 1.00 22.10 C ATOM 1021 O VAL A 73 20.807 34.045 -0.483 1.00 23.10 O ATOM 1022 CB VAL A 73 22.980 33.474 2.040 1.00 20.34 C ATOM 1023 CG1 VAL A 73 23.821 32.207 2.073 1.00 21.32 C ATOM 1024 CG2 VAL A 73 23.512 34.502 3.027 1.00 41.43 C ATOM 0 H VAL A 73 21.848 35.832 0.867 1.00 32.24 H new ATOM 0 HA VAL A 73 23.889 33.851 0.120 1.00 21.00 H new ATOM 0 HB VAL A 73 21.963 33.214 2.334 1.00 20.34 H new ATOM 0 HG11 VAL A 73 23.836 31.807 3.087 1.00 21.32 H new ATOM 0 HG12 VAL A 73 23.391 31.467 1.397 1.00 21.32 H new ATOM 0 HG13 VAL A 73 24.839 32.438 1.759 1.00 21.32 H new ATOM 0 HG21 VAL A 73 23.532 34.070 4.027 1.00 41.43 H new ATOM 0 HG22 VAL A 73 24.521 34.795 2.738 1.00 41.43 H new ATOM 0 HG23 VAL A 73 22.865 35.379 3.023 1.00 41.43 H new ATOM 1034 N LYS A 74 21.971 32.120 -0.463 1.00 41.13 N ATOM 1035 CA LYS A 74 20.961 31.373 -1.204 1.00 1.34 C ATOM 1036 C LYS A 74 20.494 30.157 -0.411 1.00 21.23 C ATOM 1037 O LYS A 74 21.268 29.232 -0.160 1.00 54.31 O ATOM 1038 CB LYS A 74 21.516 30.930 -2.559 1.00 25.42 C ATOM 1039 CG LYS A 74 20.442 30.654 -3.596 1.00 14.30 C ATOM 1040 CD LYS A 74 19.873 31.943 -4.166 1.00 0.15 C ATOM 1041 CE LYS A 74 20.389 32.207 -5.572 1.00 25.33 C ATOM 1042 NZ LYS A 74 21.599 33.076 -5.565 1.00 34.23 N ATOM 0 H LYS A 74 22.793 31.575 -0.205 1.00 41.13 H new ATOM 0 HA LYS A 74 20.106 32.029 -1.366 1.00 1.34 H new ATOM 0 HB2 LYS A 74 22.185 31.703 -2.938 1.00 25.42 H new ATOM 0 HB3 LYS A 74 22.115 30.030 -2.420 1.00 25.42 H new ATOM 0 HG2 LYS A 74 20.860 30.052 -4.403 1.00 14.30 H new ATOM 0 HG3 LYS A 74 19.640 30.070 -3.144 1.00 14.30 H new ATOM 0 HD2 LYS A 74 18.785 31.886 -4.182 1.00 0.15 H new ATOM 0 HD3 LYS A 74 20.139 32.777 -3.517 1.00 0.15 H new ATOM 0 HE2 LYS A 74 20.625 31.259 -6.056 1.00 25.33 H new ATOM 0 HE3 LYS A 74 19.605 32.680 -6.164 1.00 25.33 H new ATOM 0 HZ1 LYS A 74 21.920 33.232 -6.542 1.00 34.23 H new ATOM 0 HZ2 LYS A 74 21.367 33.990 -5.126 1.00 34.23 H new ATOM 0 HZ3 LYS A 74 22.356 32.613 -5.022 1.00 34.23 H new ATOM 1056 N VAL A 75 19.224 30.163 -0.019 1.00 73.14 N ATOM 1057 CA VAL A 75 18.653 29.059 0.743 1.00 61.33 C ATOM 1058 C VAL A 75 18.028 28.019 -0.181 1.00 24.35 C ATOM 1059 O VAL A 75 17.342 28.360 -1.145 1.00 20.54 O ATOM 1060 CB VAL A 75 17.586 29.555 1.736 1.00 75.31 C ATOM 1061 CG1 VAL A 75 16.928 28.380 2.444 1.00 3.14 C ATOM 1062 CG2 VAL A 75 18.200 30.518 2.740 1.00 14.14 C ATOM 0 H VAL A 75 18.571 30.921 -0.217 1.00 73.14 H new ATOM 0 HA VAL A 75 19.471 28.602 1.299 1.00 61.33 H new ATOM 0 HB VAL A 75 16.816 30.089 1.179 1.00 75.31 H new ATOM 0 HG11 VAL A 75 16.177 28.750 3.142 1.00 3.14 H new ATOM 0 HG12 VAL A 75 16.452 27.732 1.708 1.00 3.14 H new ATOM 0 HG13 VAL A 75 17.683 27.815 2.990 1.00 3.14 H new ATOM 0 HG21 VAL A 75 17.432 30.859 3.434 1.00 14.14 H new ATOM 0 HG22 VAL A 75 18.990 30.011 3.294 1.00 14.14 H new ATOM 0 HG23 VAL A 75 18.619 31.375 2.213 1.00 14.14 H new ATOM 1072 N THR A 76 18.270 26.746 0.121 1.00 41.54 N ATOM 1073 CA THR A 76 17.732 25.656 -0.682 1.00 62.52 C ATOM 1074 C THR A 76 17.145 24.561 0.201 1.00 34.21 C ATOM 1075 O THR A 76 17.822 24.029 1.080 1.00 64.55 O ATOM 1076 CB THR A 76 18.813 25.041 -1.591 1.00 61.03 C ATOM 1077 OG1 THR A 76 19.983 25.867 -1.589 1.00 31.23 O ATOM 1078 CG2 THR A 76 18.299 24.886 -3.015 1.00 30.35 C ATOM 0 H THR A 76 18.835 26.446 0.916 1.00 41.54 H new ATOM 0 HA THR A 76 16.943 26.081 -1.303 1.00 62.52 H new ATOM 0 HB THR A 76 19.064 24.054 -1.202 1.00 61.03 H new ATOM 0 HG1 THR A 76 20.666 25.468 -2.168 1.00 31.23 H new ATOM 0 HG21 THR A 76 19.080 24.450 -3.638 1.00 30.35 H new ATOM 0 HG22 THR A 76 17.426 24.234 -3.018 1.00 30.35 H new ATOM 0 HG23 THR A 76 18.023 25.863 -3.411 1.00 30.35 H new ATOM 1086 N ALA A 77 15.880 24.229 -0.038 1.00 62.12 N ATOM 1087 CA ALA A 77 15.203 23.195 0.734 1.00 15.13 C ATOM 1088 C ALA A 77 14.562 22.157 -0.181 1.00 13.31 C ATOM 1089 O ALA A 77 13.892 22.503 -1.154 1.00 52.00 O ATOM 1090 CB ALA A 77 14.154 23.818 1.644 1.00 4.14 C ATOM 0 H ALA A 77 15.304 24.661 -0.760 1.00 62.12 H new ATOM 0 HA ALA A 77 15.948 22.689 1.348 1.00 15.13 H new ATOM 0 HB1 ALA A 77 13.656 23.034 2.215 1.00 4.14 H new ATOM 0 HB2 ALA A 77 14.635 24.516 2.329 1.00 4.14 H new ATOM 0 HB3 ALA A 77 13.419 24.350 1.041 1.00 4.14 H new ATOM 1096 N SER A 78 14.772 20.884 0.137 1.00 24.01 N ATOM 1097 CA SER A 78 14.219 19.795 -0.660 1.00 13.43 C ATOM 1098 C SER A 78 13.634 18.709 0.237 1.00 31.42 C ATOM 1099 O SER A 78 14.236 18.328 1.242 1.00 75.31 O ATOM 1100 CB SER A 78 15.297 19.199 -1.566 1.00 63.11 C ATOM 1101 OG SER A 78 16.173 18.361 -0.833 1.00 24.33 O ATOM 0 H SER A 78 15.321 20.581 0.941 1.00 24.01 H new ATOM 0 HA SER A 78 13.419 20.201 -1.279 1.00 13.43 H new ATOM 0 HB2 SER A 78 14.828 18.628 -2.367 1.00 63.11 H new ATOM 0 HB3 SER A 78 15.865 20.001 -2.037 1.00 63.11 H new ATOM 0 HG SER A 78 16.852 17.991 -1.435 1.00 24.33 H new ATOM 1107 N ILE A 79 12.458 18.214 -0.133 1.00 73.04 N ATOM 1108 CA ILE A 79 11.792 17.171 0.636 1.00 34.41 C ATOM 1109 C ILE A 79 11.170 16.123 -0.281 1.00 62.11 C ATOM 1110 O ILE A 79 10.430 16.453 -1.206 1.00 52.44 O ATOM 1111 CB ILE A 79 10.695 17.755 1.546 1.00 2.20 C ATOM 1112 CG1 ILE A 79 10.043 16.645 2.373 1.00 55.33 C ATOM 1113 CG2 ILE A 79 9.652 18.487 0.715 1.00 1.41 C ATOM 1114 CD1 ILE A 79 10.962 16.048 3.415 1.00 60.45 C ATOM 0 H ILE A 79 11.947 18.519 -0.961 1.00 73.04 H new ATOM 0 HA ILE A 79 12.556 16.701 1.256 1.00 34.41 H new ATOM 0 HB ILE A 79 11.153 18.470 2.230 1.00 2.20 H new ATOM 0 HG12 ILE A 79 9.157 17.044 2.867 1.00 55.33 H new ATOM 0 HG13 ILE A 79 9.705 15.855 1.703 1.00 55.33 H new ATOM 0 HG21 ILE A 79 8.883 18.894 1.372 1.00 1.41 H new ATOM 0 HG22 ILE A 79 10.128 19.300 0.167 1.00 1.41 H new ATOM 0 HG23 ILE A 79 9.196 17.792 0.010 1.00 1.41 H new ATOM 0 HD11 ILE A 79 10.433 15.268 3.963 1.00 60.45 H new ATOM 0 HD12 ILE A 79 11.836 15.619 2.926 1.00 60.45 H new ATOM 0 HD13 ILE A 79 11.280 16.826 4.109 1.00 60.45 H new ATOM 1126 N GLY A 80 11.476 14.856 -0.016 1.00 53.14 N ATOM 1127 CA GLY A 80 10.937 13.778 -0.826 1.00 5.53 C ATOM 1128 C GLY A 80 11.486 13.785 -2.239 1.00 11.02 C ATOM 1129 O GLY A 80 12.576 13.273 -2.492 1.00 12.45 O ATOM 0 H GLY A 80 12.087 14.557 0.744 1.00 53.14 H new ATOM 0 HA2 GLY A 80 11.168 12.823 -0.354 1.00 5.53 H new ATOM 0 HA3 GLY A 80 9.851 13.862 -0.861 1.00 5.53 H new ATOM 1133 N GLY A 81 10.727 14.365 -3.164 1.00 3.20 N ATOM 1134 CA GLY A 81 11.160 14.424 -4.548 1.00 74.51 C ATOM 1135 C GLY A 81 11.414 15.842 -5.017 1.00 10.43 C ATOM 1136 O GLY A 81 12.550 16.209 -5.319 1.00 21.11 O ATOM 0 H GLY A 81 9.821 14.795 -2.980 1.00 3.20 H new ATOM 0 HA2 GLY A 81 12.071 13.837 -4.665 1.00 74.51 H new ATOM 0 HA3 GLY A 81 10.402 13.965 -5.182 1.00 74.51 H new ATOM 1140 N ILE A 82 10.355 16.642 -5.079 1.00 53.02 N ATOM 1141 CA ILE A 82 10.469 18.028 -5.515 1.00 41.22 C ATOM 1142 C ILE A 82 11.240 18.863 -4.498 1.00 35.33 C ATOM 1143 O ILE A 82 11.264 18.543 -3.310 1.00 31.53 O ATOM 1144 CB ILE A 82 9.084 18.664 -5.741 1.00 25.44 C ATOM 1145 CG1 ILE A 82 8.212 17.746 -6.600 1.00 12.15 C ATOM 1146 CG2 ILE A 82 9.229 20.030 -6.394 1.00 12.13 C ATOM 1147 CD1 ILE A 82 8.727 17.569 -8.011 1.00 2.24 C ATOM 0 H ILE A 82 9.408 16.354 -4.833 1.00 53.02 H new ATOM 0 HA ILE A 82 11.013 18.017 -6.460 1.00 41.22 H new ATOM 0 HB ILE A 82 8.598 18.795 -4.774 1.00 25.44 H new ATOM 0 HG12 ILE A 82 8.146 16.769 -6.121 1.00 12.15 H new ATOM 0 HG13 ILE A 82 7.201 18.151 -6.639 1.00 12.15 H new ATOM 0 HG21 ILE A 82 8.242 20.467 -6.547 1.00 12.13 H new ATOM 0 HG22 ILE A 82 9.818 20.681 -5.748 1.00 12.13 H new ATOM 0 HG23 ILE A 82 9.731 19.922 -7.355 1.00 12.13 H new ATOM 0 HD11 ILE A 82 8.059 16.906 -8.562 1.00 2.24 H new ATOM 0 HD12 ILE A 82 8.767 18.538 -8.508 1.00 2.24 H new ATOM 0 HD13 ILE A 82 9.726 17.135 -7.982 1.00 2.24 H new ATOM 1159 N GLN A 83 11.866 19.935 -4.972 1.00 73.33 N ATOM 1160 CA GLN A 83 12.636 20.816 -4.103 1.00 40.10 C ATOM 1161 C GLN A 83 12.377 22.280 -4.444 1.00 71.24 C ATOM 1162 O GLN A 83 11.988 22.607 -5.565 1.00 34.24 O ATOM 1163 CB GLN A 83 14.130 20.509 -4.224 1.00 74.40 C ATOM 1164 CG GLN A 83 14.759 21.043 -5.500 1.00 44.40 C ATOM 1165 CD GLN A 83 15.562 19.991 -6.240 1.00 52.52 C ATOM 1166 OE1 GLN A 83 16.673 19.644 -5.838 1.00 15.32 O ATOM 1167 NE2 GLN A 83 15.002 19.477 -7.329 1.00 42.42 N ATOM 0 H GLN A 83 11.855 20.214 -5.953 1.00 73.33 H new ATOM 0 HA GLN A 83 12.318 20.639 -3.076 1.00 40.10 H new ATOM 0 HB2 GLN A 83 14.651 20.935 -3.366 1.00 74.40 H new ATOM 0 HB3 GLN A 83 14.275 19.430 -4.181 1.00 74.40 H new ATOM 0 HG2 GLN A 83 13.975 21.424 -6.155 1.00 44.40 H new ATOM 0 HG3 GLN A 83 15.407 21.885 -5.256 1.00 44.40 H new ATOM 0 HE21 GLN A 83 14.079 19.794 -7.626 1.00 42.42 H new ATOM 0 HE22 GLN A 83 15.495 18.765 -7.868 1.00 42.42 H new ATOM 1176 N GLY A 84 12.595 23.158 -3.470 1.00 24.53 N ATOM 1177 CA GLY A 84 12.380 24.576 -3.687 1.00 14.11 C ATOM 1178 C GLY A 84 13.650 25.387 -3.524 1.00 13.33 C ATOM 1179 O GLY A 84 14.688 24.855 -3.132 1.00 42.11 O ATOM 0 H GLY A 84 12.917 22.912 -2.534 1.00 24.53 H new ATOM 0 HA2 GLY A 84 11.980 24.730 -4.689 1.00 14.11 H new ATOM 0 HA3 GLY A 84 11.629 24.938 -2.985 1.00 14.11 H new ATOM 1183 N SER A 85 13.568 26.679 -3.826 1.00 51.13 N ATOM 1184 CA SER A 85 14.721 27.564 -3.716 1.00 44.43 C ATOM 1185 C SER A 85 14.293 28.963 -3.281 1.00 25.53 C ATOM 1186 O SER A 85 13.235 29.453 -3.675 1.00 71.35 O ATOM 1187 CB SER A 85 15.463 27.639 -5.052 1.00 70.24 C ATOM 1188 OG SER A 85 14.564 27.521 -6.142 1.00 23.33 O ATOM 0 H SER A 85 12.715 27.136 -4.149 1.00 51.13 H new ATOM 0 HA SER A 85 15.390 27.155 -2.959 1.00 44.43 H new ATOM 0 HB2 SER A 85 16.000 28.585 -5.121 1.00 70.24 H new ATOM 0 HB3 SER A 85 16.208 26.845 -5.103 1.00 70.24 H new ATOM 0 HG SER A 85 15.062 27.574 -6.984 1.00 23.33 H new ATOM 1194 N THR A 86 15.125 29.601 -2.463 1.00 13.12 N ATOM 1195 CA THR A 86 14.834 30.942 -1.971 1.00 73.15 C ATOM 1196 C THR A 86 16.110 31.761 -1.821 1.00 2.41 C ATOM 1197 O THR A 86 17.169 31.225 -1.495 1.00 31.45 O ATOM 1198 CB THR A 86 14.103 30.897 -0.616 1.00 50.32 C ATOM 1199 OG1 THR A 86 13.275 29.731 -0.544 1.00 54.54 O ATOM 1200 CG2 THR A 86 13.252 32.143 -0.419 1.00 24.13 C ATOM 0 H THR A 86 16.006 29.210 -2.127 1.00 13.12 H new ATOM 0 HA THR A 86 14.186 31.416 -2.709 1.00 73.15 H new ATOM 0 HB THR A 86 14.852 30.859 0.175 1.00 50.32 H new ATOM 0 HG1 THR A 86 13.046 29.550 0.391 1.00 54.54 H new ATOM 0 HG21 THR A 86 12.745 32.089 0.545 1.00 24.13 H new ATOM 0 HG22 THR A 86 13.889 33.027 -0.445 1.00 24.13 H new ATOM 0 HG23 THR A 86 12.511 32.207 -1.216 1.00 24.13 H new ATOM 1208 N ASP A 87 16.003 33.064 -2.060 1.00 61.31 N ATOM 1209 CA ASP A 87 17.149 33.958 -1.949 1.00 44.32 C ATOM 1210 C ASP A 87 16.874 35.073 -0.944 1.00 71.44 C ATOM 1211 O ASP A 87 15.892 35.805 -1.067 1.00 73.24 O ATOM 1212 CB ASP A 87 17.489 34.558 -3.314 1.00 42.25 C ATOM 1213 CG ASP A 87 18.556 35.631 -3.226 1.00 4.31 C ATOM 1214 OD1 ASP A 87 18.202 36.802 -2.973 1.00 53.04 O ATOM 1215 OD2 ASP A 87 19.746 35.300 -3.408 1.00 45.43 O ATOM 0 H ASP A 87 15.134 33.524 -2.332 1.00 61.31 H new ATOM 0 HA ASP A 87 17.999 33.375 -1.595 1.00 44.32 H new ATOM 0 HB2 ASP A 87 17.829 33.766 -3.981 1.00 42.25 H new ATOM 0 HB3 ASP A 87 16.587 34.982 -3.756 1.00 42.25 H new ATOM 1220 N PHE A 88 17.747 35.195 0.050 1.00 33.32 N ATOM 1221 CA PHE A 88 17.597 36.218 1.078 1.00 55.32 C ATOM 1222 C PHE A 88 18.890 37.008 1.252 1.00 43.54 C ATOM 1223 O PHE A 88 19.981 36.438 1.279 1.00 41.22 O ATOM 1224 CB PHE A 88 17.193 35.580 2.409 1.00 71.15 C ATOM 1225 CG PHE A 88 18.350 35.000 3.170 1.00 21.34 C ATOM 1226 CD1 PHE A 88 19.061 35.775 4.072 1.00 22.43 C ATOM 1227 CD2 PHE A 88 18.727 33.679 2.984 1.00 11.41 C ATOM 1228 CE1 PHE A 88 20.126 35.244 4.775 1.00 23.33 C ATOM 1229 CE2 PHE A 88 19.791 33.143 3.685 1.00 72.15 C ATOM 1230 CZ PHE A 88 20.492 33.926 4.580 1.00 1.32 C ATOM 0 H PHE A 88 18.566 34.598 0.166 1.00 33.32 H new ATOM 0 HA PHE A 88 16.812 36.904 0.759 1.00 55.32 H new ATOM 0 HB2 PHE A 88 16.701 36.330 3.028 1.00 71.15 H new ATOM 0 HB3 PHE A 88 16.462 34.794 2.219 1.00 71.15 H new ATOM 0 HD1 PHE A 88 18.780 36.806 4.228 1.00 22.43 H new ATOM 0 HD2 PHE A 88 18.184 33.062 2.284 1.00 11.41 H new ATOM 0 HE1 PHE A 88 20.671 35.859 5.476 1.00 23.33 H new ATOM 0 HE2 PHE A 88 20.074 32.112 3.533 1.00 72.15 H new ATOM 0 HZ PHE A 88 21.325 33.509 5.127 1.00 1.32 H new ATOM 1240 N LYS A 89 18.761 38.326 1.368 1.00 32.34 N ATOM 1241 CA LYS A 89 19.918 39.196 1.540 1.00 14.53 C ATOM 1242 C LYS A 89 19.864 39.913 2.886 1.00 52.45 C ATOM 1243 O LYS A 89 18.931 40.668 3.162 1.00 73.45 O ATOM 1244 CB LYS A 89 19.983 40.222 0.406 1.00 31.21 C ATOM 1245 CG LYS A 89 21.010 41.317 0.635 1.00 40.12 C ATOM 1246 CD LYS A 89 21.813 41.600 -0.624 1.00 11.32 C ATOM 1247 CE LYS A 89 21.750 43.071 -1.006 1.00 51.11 C ATOM 1248 NZ LYS A 89 22.946 43.493 -1.786 1.00 3.44 N ATOM 0 H LYS A 89 17.866 38.815 1.346 1.00 32.34 H new ATOM 0 HA LYS A 89 20.815 38.577 1.514 1.00 14.53 H new ATOM 0 HB2 LYS A 89 20.215 39.707 -0.526 1.00 31.21 H new ATOM 0 HB3 LYS A 89 19.000 40.677 0.282 1.00 31.21 H new ATOM 0 HG2 LYS A 89 20.506 42.228 0.959 1.00 40.12 H new ATOM 0 HG3 LYS A 89 21.684 41.022 1.439 1.00 40.12 H new ATOM 0 HD2 LYS A 89 22.851 41.308 -0.468 1.00 11.32 H new ATOM 0 HD3 LYS A 89 21.431 40.993 -1.445 1.00 11.32 H new ATOM 0 HE2 LYS A 89 20.850 43.256 -1.593 1.00 51.11 H new ATOM 0 HE3 LYS A 89 21.672 43.678 -0.104 1.00 51.11 H new ATOM 0 HZ1 LYS A 89 22.865 44.501 -2.027 1.00 3.44 H new ATOM 0 HZ2 LYS A 89 23.803 43.341 -1.217 1.00 3.44 H new ATOM 0 HZ3 LYS A 89 23.006 42.932 -2.660 1.00 3.44 H new ATOM 1262 N VAL A 90 20.871 39.674 3.719 1.00 2.42 N ATOM 1263 CA VAL A 90 20.940 40.299 5.035 1.00 52.54 C ATOM 1264 C VAL A 90 21.916 41.471 5.036 1.00 31.54 C ATOM 1265 O VAL A 90 23.074 41.329 4.643 1.00 43.10 O ATOM 1266 CB VAL A 90 21.366 39.288 6.115 1.00 5.11 C ATOM 1267 CG1 VAL A 90 22.681 38.623 5.735 1.00 13.21 C ATOM 1268 CG2 VAL A 90 21.477 39.971 7.470 1.00 42.23 C ATOM 0 H VAL A 90 21.651 39.052 3.506 1.00 2.42 H new ATOM 0 HA VAL A 90 19.939 40.664 5.265 1.00 52.54 H new ATOM 0 HB VAL A 90 20.602 38.514 6.185 1.00 5.11 H new ATOM 0 HG11 VAL A 90 22.966 37.912 6.510 1.00 13.21 H new ATOM 0 HG12 VAL A 90 22.563 38.098 4.787 1.00 13.21 H new ATOM 0 HG13 VAL A 90 23.457 39.382 5.636 1.00 13.21 H new ATOM 0 HG21 VAL A 90 21.779 39.242 8.221 1.00 42.23 H new ATOM 0 HG22 VAL A 90 22.221 40.766 7.417 1.00 42.23 H new ATOM 0 HG23 VAL A 90 20.511 40.395 7.744 1.00 42.23 H new ATOM 1278 N THR A 91 21.441 42.629 5.483 1.00 52.33 N ATOM 1279 CA THR A 91 22.271 43.826 5.536 1.00 53.15 C ATOM 1280 C THR A 91 22.116 44.544 6.871 1.00 21.14 C ATOM 1281 O THR A 91 21.131 44.346 7.581 1.00 15.24 O ATOM 1282 CB THR A 91 21.921 44.803 4.397 1.00 11.12 C ATOM 1283 OG1 THR A 91 21.602 44.074 3.207 1.00 53.12 O ATOM 1284 CG2 THR A 91 23.079 45.751 4.122 1.00 33.25 C ATOM 0 H THR A 91 20.485 42.763 5.814 1.00 52.33 H new ATOM 0 HA THR A 91 23.304 43.499 5.420 1.00 53.15 H new ATOM 0 HB THR A 91 21.056 45.391 4.705 1.00 11.12 H new ATOM 0 HG1 THR A 91 21.379 44.702 2.488 1.00 53.12 H new ATOM 0 HG21 THR A 91 22.809 46.431 3.314 1.00 33.25 H new ATOM 0 HG22 THR A 91 23.300 46.326 5.021 1.00 33.25 H new ATOM 0 HG23 THR A 91 23.959 45.176 3.833 1.00 33.25 H new ATOM 1292 N GLN A 92 23.095 45.378 7.207 1.00 62.32 N ATOM 1293 CA GLN A 92 23.066 46.125 8.459 1.00 64.15 C ATOM 1294 C GLN A 92 21.746 46.871 8.617 1.00 35.42 C ATOM 1295 O GLN A 92 21.396 47.717 7.794 1.00 13.42 O ATOM 1296 CB GLN A 92 24.233 47.113 8.514 1.00 22.44 C ATOM 1297 CG GLN A 92 24.850 47.248 9.897 1.00 12.22 C ATOM 1298 CD GLN A 92 25.978 48.260 9.936 1.00 0.14 C ATOM 1299 OE1 GLN A 92 26.781 48.348 9.007 1.00 53.52 O ATOM 1300 NE2 GLN A 92 26.045 49.031 11.016 1.00 62.23 N ATOM 0 H GLN A 92 23.918 45.553 6.630 1.00 62.32 H new ATOM 0 HA GLN A 92 23.161 45.414 9.280 1.00 64.15 H new ATOM 0 HB2 GLN A 92 25.003 46.793 7.811 1.00 22.44 H new ATOM 0 HB3 GLN A 92 23.886 48.092 8.183 1.00 22.44 H new ATOM 0 HG2 GLN A 92 24.078 47.542 10.608 1.00 12.22 H new ATOM 0 HG3 GLN A 92 25.227 46.277 10.219 1.00 12.22 H new ATOM 0 HE21 GLN A 92 25.358 48.924 11.762 1.00 62.23 H new ATOM 0 HE22 GLN A 92 26.783 49.730 11.099 1.00 62.23 H new