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 22 GLN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot -178:sc= 0.807 USER MOD Set 2.2: A 28 THR OG1 : rot 109:sc= 0.501 USER MOD Single : A 7 SER OG : rot 180:sc= -0.211 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= 0.00551 K(o=0.0055,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 54:sc= 1.15 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.14) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.249 USER MOD Single : A 34 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.57) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.56! C(o=-4.6!,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 130:sc= -0.0915 USER MOD Single : A 42 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 130:sc= -0.472 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.026) USER MOD Single : A 50 THR OG1 : rot -117:sc= -1.7! 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= -3.83 K(o=-3.8,f=-5.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0639 USER MOD Single : A 62 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.15) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -4.48! K(o=-4.5!,f=-1.8) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.98 K(o=-0.98,f=-0.17) 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= -1.09 USER MOD Single : A 83 GLN : amide:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 170:sc= -1 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= -0.737 K(o=-0.74,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.622 7.505 -3.969 1.00 14.04 N ATOM 43 CA ALA A 4 4.877 7.970 -4.545 1.00 23.53 C ATOM 44 C ALA A 4 4.898 9.490 -4.663 1.00 22.35 C ATOM 45 O ALA A 4 3.868 10.118 -4.911 1.00 61.43 O ATOM 46 CB ALA A 4 5.102 7.329 -5.907 1.00 11.53 C ATOM 0 HA ALA A 4 5.686 7.673 -3.878 1.00 23.53 H new ATOM 0 HB1 ALA A 4 6.043 7.685 -6.326 1.00 11.53 H new ATOM 0 HB2 ALA A 4 5.141 6.245 -5.797 1.00 11.53 H new ATOM 0 HB3 ALA A 4 4.283 7.597 -6.575 1.00 11.53 H new ATOM 52 N LEU A 5 6.076 10.076 -4.482 1.00 3.22 N ATOM 53 CA LEU A 5 6.231 11.524 -4.567 1.00 43.33 C ATOM 54 C LEU A 5 5.627 12.061 -5.861 1.00 2.10 C ATOM 55 O LEU A 5 5.652 11.392 -6.894 1.00 55.43 O ATOM 56 CB LEU A 5 7.711 11.904 -4.486 1.00 13.43 C ATOM 57 CG LEU A 5 8.115 12.776 -3.297 1.00 1.44 C ATOM 58 CD1 LEU A 5 7.349 14.090 -3.313 1.00 33.11 C ATOM 59 CD2 LEU A 5 7.880 12.036 -1.988 1.00 43.00 C ATOM 0 H LEU A 5 6.938 9.571 -4.275 1.00 3.22 H new ATOM 0 HA LEU A 5 5.701 11.971 -3.726 1.00 43.33 H new ATOM 0 HB2 LEU A 5 8.300 10.987 -4.455 1.00 13.43 H new ATOM 0 HB3 LEU A 5 7.982 12.427 -5.403 1.00 13.43 H new ATOM 0 HG LEU A 5 9.179 12.998 -3.380 1.00 1.44 H new ATOM 0 HD11 LEU A 5 7.650 14.697 -2.459 1.00 33.11 H new ATOM 0 HD12 LEU A 5 7.568 14.628 -4.236 1.00 33.11 H new ATOM 0 HD13 LEU A 5 6.279 13.888 -3.256 1.00 33.11 H new ATOM 0 HD21 LEU A 5 8.173 12.672 -1.153 1.00 43.00 H new ATOM 0 HD22 LEU A 5 6.824 11.783 -1.898 1.00 43.00 H new ATOM 0 HD23 LEU A 5 8.475 11.123 -1.975 1.00 43.00 H new ATOM 71 N VAL A 6 5.087 13.274 -5.797 1.00 50.02 N ATOM 72 CA VAL A 6 4.480 13.903 -6.964 1.00 75.30 C ATOM 73 C VAL A 6 4.831 15.385 -7.035 1.00 72.51 C ATOM 74 O VAL A 6 5.499 15.831 -7.968 1.00 33.41 O ATOM 75 CB VAL A 6 2.947 13.750 -6.950 1.00 30.21 C ATOM 76 CG1 VAL A 6 2.328 14.459 -8.145 1.00 3.34 C ATOM 77 CG2 VAL A 6 2.559 12.279 -6.933 1.00 71.03 C ATOM 0 H VAL A 6 5.058 13.841 -4.949 1.00 50.02 H new ATOM 0 HA VAL A 6 4.881 13.395 -7.841 1.00 75.30 H new ATOM 0 HB VAL A 6 2.561 14.215 -6.043 1.00 30.21 H new ATOM 0 HG11 VAL A 6 1.245 14.340 -8.118 1.00 3.34 H new ATOM 0 HG12 VAL A 6 2.577 15.519 -8.108 1.00 3.34 H new ATOM 0 HG13 VAL A 6 2.718 14.026 -9.067 1.00 3.34 H new ATOM 0 HG21 VAL A 6 1.473 12.189 -6.923 1.00 71.03 H new ATOM 0 HG22 VAL A 6 2.956 11.788 -7.822 1.00 71.03 H new ATOM 0 HG23 VAL A 6 2.970 11.805 -6.042 1.00 71.03 H new ATOM 87 N SER A 7 4.376 16.143 -6.043 1.00 4.13 N ATOM 88 CA SER A 7 4.640 17.577 -5.994 1.00 33.51 C ATOM 89 C SER A 7 4.831 18.045 -4.555 1.00 13.14 C ATOM 90 O SER A 7 4.677 17.268 -3.612 1.00 33.01 O ATOM 91 CB SER A 7 3.492 18.350 -6.646 1.00 71.20 C ATOM 92 OG SER A 7 3.211 17.849 -7.942 1.00 1.33 O ATOM 0 H SER A 7 3.823 15.789 -5.262 1.00 4.13 H new ATOM 0 HA SER A 7 5.560 17.772 -6.546 1.00 33.51 H new ATOM 0 HB2 SER A 7 2.600 18.277 -6.023 1.00 71.20 H new ATOM 0 HB3 SER A 7 3.751 19.407 -6.709 1.00 71.20 H new ATOM 0 HG SER A 7 2.473 18.359 -8.337 1.00 1.33 H new ATOM 98 N ILE A 8 5.167 19.320 -4.394 1.00 51.51 N ATOM 99 CA ILE A 8 5.378 19.894 -3.071 1.00 30.44 C ATOM 100 C ILE A 8 4.957 21.359 -3.033 1.00 23.25 C ATOM 101 O ILE A 8 4.949 22.040 -4.058 1.00 75.41 O ATOM 102 CB ILE A 8 6.852 19.783 -2.638 1.00 32.23 C ATOM 103 CG1 ILE A 8 7.723 20.725 -3.471 1.00 61.43 C ATOM 104 CG2 ILE A 8 7.337 18.347 -2.771 1.00 74.11 C ATOM 105 CD1 ILE A 8 7.916 22.086 -2.841 1.00 54.10 C ATOM 0 H ILE A 8 5.299 19.976 -5.164 1.00 51.51 H new ATOM 0 HA ILE A 8 4.760 19.324 -2.378 1.00 30.44 H new ATOM 0 HB ILE A 8 6.931 20.076 -1.591 1.00 32.23 H new ATOM 0 HG12 ILE A 8 8.698 20.263 -3.625 1.00 61.43 H new ATOM 0 HG13 ILE A 8 7.271 20.850 -4.455 1.00 61.43 H new ATOM 0 HG21 ILE A 8 8.380 18.285 -2.461 1.00 74.11 H new ATOM 0 HG22 ILE A 8 6.731 17.698 -2.138 1.00 74.11 H new ATOM 0 HG23 ILE A 8 7.247 18.027 -3.809 1.00 74.11 H new ATOM 0 HD11 ILE A 8 8.544 22.700 -3.487 1.00 54.10 H new ATOM 0 HD12 ILE A 8 6.947 22.568 -2.712 1.00 54.10 H new ATOM 0 HD13 ILE A 8 8.397 21.972 -1.869 1.00 54.10 H new ATOM 117 N SER A 9 4.611 21.839 -1.842 1.00 72.44 N ATOM 118 CA SER A 9 4.187 23.223 -1.670 1.00 41.33 C ATOM 119 C SER A 9 5.166 23.984 -0.781 1.00 53.30 C ATOM 120 O SER A 9 5.229 23.759 0.428 1.00 72.24 O ATOM 121 CB SER A 9 2.783 23.278 -1.066 1.00 32.33 C ATOM 122 OG SER A 9 2.352 21.990 -0.659 1.00 4.30 O ATOM 0 H SER A 9 4.616 21.290 -0.983 1.00 72.44 H new ATOM 0 HA SER A 9 4.170 23.697 -2.652 1.00 41.33 H new ATOM 0 HB2 SER A 9 2.778 23.954 -0.211 1.00 32.33 H new ATOM 0 HB3 SER A 9 2.085 23.684 -1.798 1.00 32.33 H new ATOM 0 HG SER A 9 1.440 22.047 -0.304 1.00 4.30 H new ATOM 128 N VAL A 10 5.928 24.888 -1.389 1.00 25.51 N ATOM 129 CA VAL A 10 6.904 25.684 -0.654 1.00 31.33 C ATOM 130 C VAL A 10 6.615 27.174 -0.794 1.00 71.11 C ATOM 131 O VAL A 10 6.321 27.659 -1.886 1.00 52.54 O ATOM 132 CB VAL A 10 8.338 25.402 -1.139 1.00 43.21 C ATOM 133 CG1 VAL A 10 8.847 24.087 -0.568 1.00 2.51 C ATOM 134 CG2 VAL A 10 8.393 25.389 -2.659 1.00 40.23 C ATOM 0 H VAL A 10 5.888 25.087 -2.389 1.00 25.51 H new ATOM 0 HA VAL A 10 6.821 25.398 0.394 1.00 31.33 H new ATOM 0 HB VAL A 10 8.987 26.201 -0.781 1.00 43.21 H new ATOM 0 HG11 VAL A 10 9.862 23.905 -0.922 1.00 2.51 H new ATOM 0 HG12 VAL A 10 8.846 24.139 0.521 1.00 2.51 H new ATOM 0 HG13 VAL A 10 8.198 23.274 -0.893 1.00 2.51 H new ATOM 0 HG21 VAL A 10 9.414 25.188 -2.984 1.00 40.23 H new ATOM 0 HG22 VAL A 10 7.731 24.612 -3.040 1.00 40.23 H new ATOM 0 HG23 VAL A 10 8.074 26.358 -3.043 1.00 40.23 H new ATOM 144 N SER A 11 6.701 27.895 0.319 1.00 40.30 N ATOM 145 CA SER A 11 6.445 29.331 0.321 1.00 24.12 C ATOM 146 C SER A 11 7.710 30.107 0.678 1.00 54.25 C ATOM 147 O SER A 11 7.809 30.731 1.734 1.00 14.03 O ATOM 148 CB SER A 11 5.329 29.670 1.311 1.00 40.13 C ATOM 149 OG SER A 11 4.792 30.956 1.053 1.00 70.23 O ATOM 0 H SER A 11 6.946 27.509 1.231 1.00 40.30 H new ATOM 0 HA SER A 11 6.132 29.621 -0.682 1.00 24.12 H new ATOM 0 HB2 SER A 11 4.539 28.922 1.243 1.00 40.13 H new ATOM 0 HB3 SER A 11 5.717 29.632 2.329 1.00 40.13 H new ATOM 0 HG SER A 11 4.080 31.148 1.698 1.00 70.23 H new ATOM 155 N PRO A 12 8.701 30.069 -0.225 1.00 73.24 N ATOM 156 CA PRO A 12 9.977 30.763 -0.030 1.00 51.20 C ATOM 157 C PRO A 12 9.830 32.279 -0.110 1.00 64.23 C ATOM 158 O PRO A 12 8.934 32.792 -0.780 1.00 54.34 O ATOM 159 CB PRO A 12 10.841 30.248 -1.183 1.00 63.33 C ATOM 160 CG PRO A 12 9.867 29.846 -2.237 1.00 24.35 C ATOM 161 CD PRO A 12 8.652 29.345 -1.507 1.00 14.11 C ATOM 0 HA PRO A 12 10.400 30.570 0.956 1.00 51.20 H new ATOM 0 HB2 PRO A 12 11.519 31.021 -1.545 1.00 63.33 H new ATOM 0 HB3 PRO A 12 11.456 29.404 -0.870 1.00 63.33 H new ATOM 0 HG2 PRO A 12 9.616 30.690 -2.879 1.00 24.35 H new ATOM 0 HG3 PRO A 12 10.284 29.070 -2.879 1.00 24.35 H new ATOM 0 HD2 PRO A 12 7.736 29.562 -2.056 1.00 14.11 H new ATOM 0 HD3 PRO A 12 8.688 28.266 -1.360 1.00 14.11 H new ATOM 169 N THR A 13 10.717 32.992 0.577 1.00 65.11 N ATOM 170 CA THR A 13 10.686 34.449 0.584 1.00 64.12 C ATOM 171 C THR A 13 11.947 35.029 -0.047 1.00 61.22 C ATOM 172 O THR A 13 13.042 34.895 0.496 1.00 25.33 O ATOM 173 CB THR A 13 10.542 35.001 2.015 1.00 74.05 C ATOM 174 OG1 THR A 13 9.323 34.530 2.600 1.00 20.45 O ATOM 175 CG2 THR A 13 10.554 36.522 2.011 1.00 14.14 C ATOM 0 H THR A 13 11.466 32.584 1.136 1.00 65.11 H new ATOM 0 HA THR A 13 9.818 34.749 -0.003 1.00 64.12 H new ATOM 0 HB THR A 13 11.388 34.648 2.605 1.00 74.05 H new ATOM 0 HG1 THR A 13 9.239 34.883 3.510 1.00 20.45 H new ATOM 0 HG21 THR A 13 10.451 36.889 3.032 1.00 14.14 H new ATOM 0 HG22 THR A 13 11.495 36.877 1.591 1.00 14.14 H new ATOM 0 HG23 THR A 13 9.725 36.891 1.407 1.00 14.14 H new ATOM 183 N ASN A 14 11.784 35.674 -1.198 1.00 3.34 N ATOM 184 CA ASN A 14 12.911 36.275 -1.903 1.00 14.22 C ATOM 185 C ASN A 14 13.024 37.762 -1.579 1.00 64.12 C ATOM 186 O ASN A 14 12.760 38.614 -2.427 1.00 44.23 O ATOM 187 CB ASN A 14 12.756 36.081 -3.413 1.00 24.35 C ATOM 188 CG ASN A 14 11.438 36.620 -3.933 1.00 43.53 C ATOM 189 OD1 ASN A 14 10.369 36.125 -3.580 1.00 35.55 O ATOM 190 ND2 ASN A 14 11.510 37.642 -4.779 1.00 22.12 N ATOM 0 H ASN A 14 10.884 35.794 -1.662 1.00 3.34 H new ATOM 0 HA ASN A 14 13.823 35.778 -1.571 1.00 14.22 H new ATOM 0 HB2 ASN A 14 13.578 36.580 -3.927 1.00 24.35 H new ATOM 0 HB3 ASN A 14 12.830 35.020 -3.650 1.00 24.35 H new ATOM 0 HD21 ASN A 14 10.656 38.047 -5.163 1.00 22.12 H new ATOM 0 HD22 ASN A 14 12.419 38.021 -5.044 1.00 22.12 H new ATOM 197 N SER A 15 13.420 38.065 -0.347 1.00 13.20 N ATOM 198 CA SER A 15 13.566 39.449 0.090 1.00 33.42 C ATOM 199 C SER A 15 14.864 39.638 0.869 1.00 52.20 C ATOM 200 O SER A 15 15.718 38.751 0.902 1.00 14.24 O ATOM 201 CB SER A 15 12.373 39.861 0.956 1.00 65.40 C ATOM 202 OG SER A 15 11.957 41.181 0.655 1.00 54.11 O ATOM 0 H SER A 15 13.645 37.371 0.366 1.00 13.20 H new ATOM 0 HA SER A 15 13.599 40.083 -0.796 1.00 33.42 H new ATOM 0 HB2 SER A 15 11.546 39.170 0.794 1.00 65.40 H new ATOM 0 HB3 SER A 15 12.644 39.793 2.010 1.00 65.40 H new ATOM 0 HG SER A 15 11.193 41.420 1.220 1.00 54.11 H new ATOM 208 N THR A 16 15.006 40.802 1.495 1.00 3.24 N ATOM 209 CA THR A 16 16.200 41.111 2.273 1.00 34.52 C ATOM 210 C THR A 16 15.869 41.250 3.755 1.00 65.51 C ATOM 211 O THR A 16 14.796 41.729 4.120 1.00 40.33 O ATOM 212 CB THR A 16 16.869 42.409 1.784 1.00 21.31 C ATOM 213 OG1 THR A 16 17.823 42.863 2.751 1.00 33.50 O ATOM 214 CG2 THR A 16 15.831 43.494 1.540 1.00 64.12 C ATOM 0 H THR A 16 14.309 41.547 1.479 1.00 3.24 H new ATOM 0 HA THR A 16 16.892 40.280 2.134 1.00 34.52 H new ATOM 0 HB THR A 16 17.378 42.197 0.844 1.00 21.31 H new ATOM 0 HG1 THR A 16 18.449 42.138 2.958 1.00 33.50 H new ATOM 0 HG21 THR A 16 16.327 44.401 1.195 1.00 64.12 H new ATOM 0 HG22 THR A 16 15.124 43.157 0.782 1.00 64.12 H new ATOM 0 HG23 THR A 16 15.297 43.702 2.467 1.00 64.12 H new ATOM 222 N VAL A 17 16.799 40.827 4.606 1.00 44.32 N ATOM 223 CA VAL A 17 16.608 40.907 6.049 1.00 74.40 C ATOM 224 C VAL A 17 17.709 41.731 6.705 1.00 25.44 C ATOM 225 O VAL A 17 18.814 41.844 6.174 1.00 32.04 O ATOM 226 CB VAL A 17 16.579 39.506 6.689 1.00 34.11 C ATOM 227 CG1 VAL A 17 17.956 38.863 6.630 1.00 72.14 C ATOM 228 CG2 VAL A 17 16.080 39.587 8.124 1.00 23.41 C ATOM 0 H VAL A 17 17.692 40.425 4.321 1.00 44.32 H new ATOM 0 HA VAL A 17 15.647 41.394 6.215 1.00 74.40 H new ATOM 0 HB VAL A 17 15.889 38.881 6.123 1.00 34.11 H new ATOM 0 HG11 VAL A 17 17.916 37.874 7.087 1.00 72.14 H new ATOM 0 HG12 VAL A 17 18.270 38.770 5.590 1.00 72.14 H new ATOM 0 HG13 VAL A 17 18.671 39.483 7.171 1.00 72.14 H new ATOM 0 HG21 VAL A 17 16.066 38.589 8.561 1.00 23.41 H new ATOM 0 HG22 VAL A 17 16.744 40.228 8.704 1.00 23.41 H new ATOM 0 HG23 VAL A 17 15.072 40.003 8.136 1.00 23.41 H new ATOM 238 N ALA A 18 17.401 42.304 7.864 1.00 5.10 N ATOM 239 CA ALA A 18 18.366 43.116 8.595 1.00 44.01 C ATOM 240 C ALA A 18 19.484 42.254 9.172 1.00 61.12 C ATOM 241 O ALA A 18 19.387 41.027 9.194 1.00 23.34 O ATOM 242 CB ALA A 18 17.671 43.893 9.703 1.00 31.31 C ATOM 0 H ALA A 18 16.491 42.221 8.317 1.00 5.10 H new ATOM 0 HA ALA A 18 18.812 43.823 7.895 1.00 44.01 H new ATOM 0 HB1 ALA A 18 18.404 44.495 10.240 1.00 31.31 H new ATOM 0 HB2 ALA A 18 16.913 44.546 9.270 1.00 31.31 H new ATOM 0 HB3 ALA A 18 17.197 43.196 10.394 1.00 31.31 H new ATOM 248 N LYS A 19 20.546 42.903 9.637 1.00 12.31 N ATOM 249 CA LYS A 19 21.683 42.197 10.215 1.00 32.11 C ATOM 250 C LYS A 19 21.238 41.298 11.364 1.00 31.21 C ATOM 251 O LYS A 19 20.638 41.763 12.332 1.00 33.42 O ATOM 252 CB LYS A 19 22.731 43.195 10.711 1.00 3.22 C ATOM 253 CG LYS A 19 24.150 42.653 10.680 1.00 12.31 C ATOM 254 CD LYS A 19 24.453 41.813 11.910 1.00 50.44 C ATOM 255 CE LYS A 19 25.881 41.291 11.890 1.00 45.54 C ATOM 256 NZ LYS A 19 26.851 42.309 12.383 1.00 73.13 N ATOM 0 H LYS A 19 20.643 43.918 9.625 1.00 12.31 H new ATOM 0 HA LYS A 19 22.124 41.573 9.438 1.00 32.11 H new ATOM 0 HB2 LYS A 19 22.681 44.095 10.099 1.00 3.22 H new ATOM 0 HB3 LYS A 19 22.486 43.490 11.731 1.00 3.22 H new ATOM 0 HG2 LYS A 19 24.291 42.050 9.783 1.00 12.31 H new ATOM 0 HG3 LYS A 19 24.856 43.482 10.621 1.00 12.31 H new ATOM 0 HD2 LYS A 19 24.295 42.411 12.808 1.00 50.44 H new ATOM 0 HD3 LYS A 19 23.759 40.974 11.959 1.00 50.44 H new ATOM 0 HE2 LYS A 19 25.949 40.396 12.508 1.00 45.54 H new ATOM 0 HE3 LYS A 19 26.147 40.998 10.874 1.00 45.54 H new ATOM 0 HZ1 LYS A 19 27.813 41.915 12.354 1.00 73.13 H new ATOM 0 HZ2 LYS A 19 26.805 43.154 11.779 1.00 73.13 H new ATOM 0 HZ3 LYS A 19 26.613 42.570 13.361 1.00 73.13 H new ATOM 270 N GLY A 20 21.538 40.007 11.250 1.00 12.35 N ATOM 271 CA GLY A 20 21.162 39.064 12.288 1.00 42.34 C ATOM 272 C GLY A 20 19.660 38.963 12.462 1.00 30.25 C ATOM 273 O GLY A 20 19.034 39.848 13.048 1.00 62.23 O ATOM 0 H GLY A 20 22.034 39.598 10.458 1.00 12.35 H new ATOM 0 HA2 GLY A 20 21.563 38.080 12.044 1.00 42.34 H new ATOM 0 HA3 GLY A 20 21.615 39.368 13.232 1.00 42.34 H new ATOM 277 N LEU A 21 19.078 37.883 11.953 1.00 24.51 N ATOM 278 CA LEU A 21 17.639 37.669 12.054 1.00 31.13 C ATOM 279 C LEU A 21 17.291 36.199 11.846 1.00 34.53 C ATOM 280 O LEU A 21 18.176 35.351 11.739 1.00 23.10 O ATOM 281 CB LEU A 21 16.902 38.530 11.027 1.00 62.45 C ATOM 282 CG LEU A 21 15.853 39.491 11.585 1.00 10.52 C ATOM 283 CD1 LEU A 21 16.216 40.930 11.251 1.00 74.05 C ATOM 284 CD2 LEU A 21 14.473 39.148 11.044 1.00 33.13 C ATOM 0 H LEU A 21 19.581 37.141 11.466 1.00 24.51 H new ATOM 0 HA LEU A 21 17.323 37.959 13.056 1.00 31.13 H new ATOM 0 HB2 LEU A 21 17.640 39.111 10.474 1.00 62.45 H new ATOM 0 HB3 LEU A 21 16.415 37.868 10.311 1.00 62.45 H new ATOM 0 HG LEU A 21 15.832 39.385 12.670 1.00 10.52 H new ATOM 0 HD11 LEU A 21 15.458 41.600 11.656 1.00 74.05 H new ATOM 0 HD12 LEU A 21 17.185 41.172 11.688 1.00 74.05 H new ATOM 0 HD13 LEU A 21 16.266 41.051 10.169 1.00 74.05 H new ATOM 0 HD21 LEU A 21 13.739 39.843 11.452 1.00 33.13 H new ATOM 0 HD22 LEU A 21 14.479 39.224 9.957 1.00 33.13 H new ATOM 0 HD23 LEU A 21 14.211 38.131 11.335 1.00 33.13 H new ATOM 296 N GLN A 22 15.996 35.905 11.788 1.00 33.13 N ATOM 297 CA GLN A 22 15.531 34.537 11.591 1.00 22.23 C ATOM 298 C GLN A 22 14.284 34.506 10.715 1.00 54.54 C ATOM 299 O GLN A 22 13.563 35.499 10.610 1.00 24.30 O ATOM 300 CB GLN A 22 15.238 33.876 12.939 1.00 12.35 C ATOM 301 CG GLN A 22 15.796 32.467 13.061 1.00 53.51 C ATOM 302 CD GLN A 22 16.140 32.097 14.490 1.00 3.51 C ATOM 303 OE1 GLN A 22 15.511 31.223 15.086 1.00 21.30 O ATOM 304 NE2 GLN A 22 17.144 32.763 15.049 1.00 45.15 N ATOM 0 H GLN A 22 15.250 36.596 11.875 1.00 33.13 H new ATOM 0 HA GLN A 22 16.321 33.981 11.086 1.00 22.23 H new ATOM 0 HB2 GLN A 22 15.655 34.493 13.735 1.00 12.35 H new ATOM 0 HB3 GLN A 22 14.159 33.845 13.092 1.00 12.35 H new ATOM 0 HG2 GLN A 22 15.067 31.757 12.671 1.00 53.51 H new ATOM 0 HG3 GLN A 22 16.689 32.379 12.442 1.00 53.51 H new ATOM 0 HE21 GLN A 22 17.638 33.480 14.518 1.00 45.15 H new ATOM 0 HE22 GLN A 22 17.421 32.557 16.009 1.00 45.15 H new ATOM 313 N GLU A 23 14.035 33.361 10.087 1.00 42.43 N ATOM 314 CA GLU A 23 12.875 33.203 9.218 1.00 53.50 C ATOM 315 C GLU A 23 12.297 31.795 9.332 1.00 45.53 C ATOM 316 O GLU A 23 13.034 30.823 9.490 1.00 75.41 O ATOM 317 CB GLU A 23 13.254 33.495 7.765 1.00 63.04 C ATOM 318 CG GLU A 23 12.379 34.548 7.106 1.00 10.24 C ATOM 319 CD GLU A 23 10.908 34.182 7.130 1.00 72.55 C ATOM 320 OE1 GLU A 23 10.246 34.449 8.155 1.00 44.24 O ATOM 321 OE2 GLU A 23 10.418 33.627 6.124 1.00 50.24 O ATOM 0 H GLU A 23 14.621 32.530 10.164 1.00 42.43 H new ATOM 0 HA GLU A 23 12.115 33.916 9.537 1.00 53.50 H new ATOM 0 HB2 GLU A 23 14.293 33.824 7.729 1.00 63.04 H new ATOM 0 HB3 GLU A 23 13.192 32.571 7.190 1.00 63.04 H new ATOM 0 HG2 GLU A 23 12.521 35.502 7.614 1.00 10.24 H new ATOM 0 HG3 GLU A 23 12.698 34.686 6.073 1.00 10.24 H new ATOM 328 N ASN A 24 10.975 31.696 9.250 1.00 14.35 N ATOM 329 CA ASN A 24 10.297 30.408 9.345 1.00 4.14 C ATOM 330 C ASN A 24 10.023 29.834 7.959 1.00 52.44 C ATOM 331 O ASN A 24 9.607 30.552 7.049 1.00 15.42 O ATOM 332 CB ASN A 24 8.985 30.554 10.118 1.00 0.13 C ATOM 333 CG ASN A 24 8.917 31.850 10.903 1.00 42.11 C ATOM 334 OD1 ASN A 24 8.284 32.815 10.475 1.00 44.43 O ATOM 335 ND2 ASN A 24 9.571 31.877 12.058 1.00 22.13 N ATOM 0 H ASN A 24 10.351 32.492 9.118 1.00 14.35 H new ATOM 0 HA ASN A 24 10.951 29.720 9.881 1.00 4.14 H new ATOM 0 HB2 ASN A 24 8.149 30.511 9.420 1.00 0.13 H new ATOM 0 HB3 ASN A 24 8.874 29.712 10.801 1.00 0.13 H new ATOM 0 HD21 ASN A 24 9.562 32.722 12.630 1.00 22.13 H new ATOM 0 HD22 ASN A 24 10.083 31.053 12.374 1.00 22.13 H new ATOM 342 N PHE A 25 10.258 28.536 7.804 1.00 21.44 N ATOM 343 CA PHE A 25 10.037 27.865 6.529 1.00 74.23 C ATOM 344 C PHE A 25 9.000 26.754 6.671 1.00 24.22 C ATOM 345 O PHE A 25 8.875 26.138 7.730 1.00 72.33 O ATOM 346 CB PHE A 25 11.350 27.287 5.997 1.00 1.41 C ATOM 347 CG PHE A 25 12.241 28.314 5.357 1.00 34.22 C ATOM 348 CD1 PHE A 25 11.744 29.176 4.392 1.00 24.24 C ATOM 349 CD2 PHE A 25 13.574 28.417 5.721 1.00 55.22 C ATOM 350 CE1 PHE A 25 12.562 30.121 3.802 1.00 71.55 C ATOM 351 CE2 PHE A 25 14.396 29.360 5.134 1.00 52.44 C ATOM 352 CZ PHE A 25 13.889 30.214 4.173 1.00 31.24 C ATOM 0 H PHE A 25 10.602 27.927 8.546 1.00 21.44 H new ATOM 0 HA PHE A 25 9.660 28.602 5.821 1.00 74.23 H new ATOM 0 HB2 PHE A 25 11.888 26.812 6.818 1.00 1.41 H new ATOM 0 HB3 PHE A 25 11.126 26.507 5.269 1.00 1.41 H new ATOM 0 HD1 PHE A 25 10.707 29.109 4.098 1.00 24.24 H new ATOM 0 HD2 PHE A 25 13.975 27.753 6.472 1.00 55.22 H new ATOM 0 HE1 PHE A 25 12.163 30.787 3.051 1.00 71.55 H new ATOM 0 HE2 PHE A 25 15.433 29.430 5.426 1.00 52.44 H new ATOM 0 HZ PHE A 25 14.529 30.952 3.713 1.00 31.24 H new ATOM 362 N LYS A 26 8.259 26.503 5.597 1.00 10.33 N ATOM 363 CA LYS A 26 7.233 25.467 5.600 1.00 65.22 C ATOM 364 C LYS A 26 7.148 24.783 4.239 1.00 32.11 C ATOM 365 O LYS A 26 7.081 25.445 3.204 1.00 12.32 O ATOM 366 CB LYS A 26 5.874 26.066 5.968 1.00 43.34 C ATOM 367 CG LYS A 26 5.238 25.427 7.189 1.00 31.44 C ATOM 368 CD LYS A 26 4.679 24.050 6.871 1.00 52.13 C ATOM 369 CE LYS A 26 5.106 23.022 7.907 1.00 72.43 C ATOM 370 NZ LYS A 26 4.459 23.262 9.226 1.00 31.13 N ATOM 0 H LYS A 26 8.350 27.003 4.713 1.00 10.33 H new ATOM 0 HA LYS A 26 7.507 24.721 6.346 1.00 65.22 H new ATOM 0 HB2 LYS A 26 5.994 27.134 6.149 1.00 43.34 H new ATOM 0 HB3 LYS A 26 5.198 25.960 5.119 1.00 43.34 H new ATOM 0 HG2 LYS A 26 5.978 25.345 7.985 1.00 31.44 H new ATOM 0 HG3 LYS A 26 4.439 26.068 7.561 1.00 31.44 H new ATOM 0 HD2 LYS A 26 3.591 24.098 6.832 1.00 52.13 H new ATOM 0 HD3 LYS A 26 5.020 23.737 5.884 1.00 52.13 H new ATOM 0 HE2 LYS A 26 4.851 22.023 7.554 1.00 72.43 H new ATOM 0 HE3 LYS A 26 6.189 23.052 8.023 1.00 72.43 H new ATOM 0 HZ1 LYS A 26 4.776 22.540 9.905 1.00 31.13 H new ATOM 0 HZ2 LYS A 26 4.723 24.205 9.575 1.00 31.13 H new ATOM 0 HZ3 LYS A 26 3.426 23.208 9.121 1.00 31.13 H new ATOM 384 N ALA A 27 7.149 23.454 4.249 1.00 62.12 N ATOM 385 CA ALA A 27 7.068 22.681 3.016 1.00 61.03 C ATOM 386 C ALA A 27 6.134 21.487 3.177 1.00 71.51 C ATOM 387 O ALA A 27 6.195 20.767 4.174 1.00 21.33 O ATOM 388 CB ALA A 27 8.454 22.216 2.592 1.00 54.41 C ATOM 0 H ALA A 27 7.205 22.890 5.097 1.00 62.12 H new ATOM 0 HA ALA A 27 6.660 23.326 2.238 1.00 61.03 H new ATOM 0 HB1 ALA A 27 8.378 21.640 1.670 1.00 54.41 H new ATOM 0 HB2 ALA A 27 9.094 23.083 2.427 1.00 54.41 H new ATOM 0 HB3 ALA A 27 8.884 21.592 3.375 1.00 54.41 H new ATOM 394 N THR A 28 5.268 21.281 2.189 1.00 31.34 N ATOM 395 CA THR A 28 4.319 20.175 2.223 1.00 64.33 C ATOM 396 C THR A 28 4.556 19.212 1.064 1.00 1.44 C ATOM 397 O THR A 28 4.570 19.616 -0.098 1.00 25.13 O ATOM 398 CB THR A 28 2.865 20.680 2.167 1.00 63.24 C ATOM 399 OG1 THR A 28 2.847 22.106 2.046 1.00 54.55 O ATOM 400 CG2 THR A 28 2.099 20.261 3.412 1.00 13.42 C ATOM 0 H THR A 28 5.205 21.866 1.356 1.00 31.34 H new ATOM 0 HA THR A 28 4.477 19.651 3.166 1.00 64.33 H new ATOM 0 HB THR A 28 2.382 20.236 1.297 1.00 63.24 H new ATOM 0 HG1 THR A 28 2.554 22.354 1.144 1.00 54.55 H new ATOM 0 HG21 THR A 28 1.075 20.629 3.350 1.00 13.42 H new ATOM 0 HG22 THR A 28 2.090 19.173 3.485 1.00 13.42 H new ATOM 0 HG23 THR A 28 2.582 20.680 4.295 1.00 13.42 H new ATOM 408 N GLY A 29 4.741 17.936 1.389 1.00 11.34 N ATOM 409 CA GLY A 29 4.974 16.936 0.364 1.00 10.01 C ATOM 410 C GLY A 29 3.693 16.270 -0.098 1.00 40.21 C ATOM 411 O GLY A 29 2.845 15.907 0.718 1.00 41.32 O ATOM 0 H GLY A 29 4.734 17.577 2.344 1.00 11.34 H new ATOM 0 HA2 GLY A 29 5.465 17.403 -0.490 1.00 10.01 H new ATOM 0 HA3 GLY A 29 5.656 16.178 0.749 1.00 10.01 H new ATOM 415 N ILE A 30 3.551 16.111 -1.409 1.00 71.35 N ATOM 416 CA ILE A 30 2.364 15.485 -1.978 1.00 73.31 C ATOM 417 C ILE A 30 2.666 14.070 -2.462 1.00 0.44 C ATOM 418 O ILE A 30 3.796 13.760 -2.838 1.00 63.22 O ATOM 419 CB ILE A 30 1.801 16.307 -3.152 1.00 42.34 C ATOM 420 CG1 ILE A 30 1.808 17.798 -2.809 1.00 2.34 C ATOM 421 CG2 ILE A 30 0.394 15.844 -3.497 1.00 54.32 C ATOM 422 CD1 ILE A 30 0.915 18.153 -1.641 1.00 11.33 C ATOM 0 H ILE A 30 4.243 16.407 -2.097 1.00 71.35 H new ATOM 0 HA ILE A 30 1.619 15.444 -1.184 1.00 73.31 H new ATOM 0 HB ILE A 30 2.437 16.151 -4.023 1.00 42.34 H new ATOM 0 HG12 ILE A 30 2.829 18.106 -2.582 1.00 2.34 H new ATOM 0 HG13 ILE A 30 1.491 18.365 -3.684 1.00 2.34 H new ATOM 0 HG21 ILE A 30 0.010 16.435 -4.329 1.00 54.32 H new ATOM 0 HG22 ILE A 30 0.416 14.791 -3.779 1.00 54.32 H new ATOM 0 HG23 ILE A 30 -0.254 15.973 -2.630 1.00 54.32 H new ATOM 0 HD11 ILE A 30 0.969 19.225 -1.454 1.00 11.33 H new ATOM 0 HD12 ILE A 30 -0.114 17.877 -1.872 1.00 11.33 H new ATOM 0 HD13 ILE A 30 1.245 17.613 -0.754 1.00 11.33 H new ATOM 434 N PHE A 31 1.648 13.217 -2.450 1.00 74.21 N ATOM 435 CA PHE A 31 1.804 11.835 -2.888 1.00 74.33 C ATOM 436 C PHE A 31 0.818 11.504 -4.006 1.00 24.14 C ATOM 437 O PHE A 31 -0.218 12.154 -4.149 1.00 21.33 O ATOM 438 CB PHE A 31 1.598 10.878 -1.712 1.00 1.10 C ATOM 439 CG PHE A 31 2.721 10.904 -0.715 1.00 0.32 C ATOM 440 CD1 PHE A 31 4.038 10.792 -1.131 1.00 52.44 C ATOM 441 CD2 PHE A 31 2.460 11.041 0.639 1.00 51.40 C ATOM 442 CE1 PHE A 31 5.073 10.815 -0.216 1.00 13.43 C ATOM 443 CE2 PHE A 31 3.491 11.066 1.559 1.00 31.44 C ATOM 444 CZ PHE A 31 4.799 10.953 1.131 1.00 1.41 C ATOM 0 H PHE A 31 0.706 13.458 -2.142 1.00 74.21 H new ATOM 0 HA PHE A 31 2.817 11.714 -3.272 1.00 74.33 H new ATOM 0 HB2 PHE A 31 0.667 11.132 -1.205 1.00 1.10 H new ATOM 0 HB3 PHE A 31 1.486 9.864 -2.095 1.00 1.10 H new ATOM 0 HD1 PHE A 31 4.258 10.685 -2.183 1.00 52.44 H new ATOM 0 HD2 PHE A 31 1.439 11.129 0.979 1.00 51.40 H new ATOM 0 HE1 PHE A 31 6.095 10.725 -0.553 1.00 13.43 H new ATOM 0 HE2 PHE A 31 3.274 11.174 2.611 1.00 31.44 H new ATOM 0 HZ PHE A 31 5.606 10.972 1.848 1.00 1.41 H new ATOM 454 N THR A 32 1.149 10.488 -4.797 1.00 3.11 N ATOM 455 CA THR A 32 0.296 10.071 -5.902 1.00 42.15 C ATOM 456 C THR A 32 -1.003 9.457 -5.393 1.00 65.53 C ATOM 457 O THR A 32 -1.947 9.255 -6.157 1.00 43.54 O ATOM 458 CB THR A 32 1.011 9.053 -6.811 1.00 22.13 C ATOM 459 OG1 THR A 32 2.398 9.389 -6.926 1.00 24.31 O ATOM 460 CG2 THR A 32 0.376 9.021 -8.192 1.00 73.54 C ATOM 0 H THR A 32 2.002 9.939 -4.692 1.00 3.11 H new ATOM 0 HA THR A 32 0.069 10.966 -6.481 1.00 42.15 H new ATOM 0 HB THR A 32 0.913 8.065 -6.361 1.00 22.13 H new ATOM 0 HG1 THR A 32 2.842 9.246 -6.064 1.00 24.31 H new ATOM 0 HG21 THR A 32 0.898 8.295 -8.816 1.00 73.54 H new ATOM 0 HG22 THR A 32 -0.673 8.736 -8.104 1.00 73.54 H new ATOM 0 HG23 THR A 32 0.447 10.008 -8.648 1.00 73.54 H new ATOM 468 N ASP A 33 -1.044 9.161 -4.099 1.00 21.21 N ATOM 469 CA ASP A 33 -2.229 8.570 -3.487 1.00 4.41 C ATOM 470 C ASP A 33 -3.202 9.653 -3.032 1.00 53.24 C ATOM 471 O ASP A 33 -4.118 9.391 -2.254 1.00 22.04 O ATOM 472 CB ASP A 33 -1.832 7.693 -2.299 1.00 25.31 C ATOM 473 CG ASP A 33 -2.737 6.487 -2.141 1.00 54.42 C ATOM 474 OD1 ASP A 33 -3.901 6.558 -2.588 1.00 72.11 O ATOM 475 OD2 ASP A 33 -2.283 5.474 -1.570 1.00 61.22 O ATOM 0 H ASP A 33 -0.271 9.320 -3.453 1.00 21.21 H new ATOM 0 HA ASP A 33 -2.725 7.952 -4.236 1.00 4.41 H new ATOM 0 HB2 ASP A 33 -0.803 7.357 -2.427 1.00 25.31 H new ATOM 0 HB3 ASP A 33 -1.862 8.288 -1.386 1.00 25.31 H new ATOM 480 N ASN A 34 -2.997 10.871 -3.524 1.00 22.12 N ATOM 481 CA ASN A 34 -3.856 11.994 -3.167 1.00 3.24 C ATOM 482 C ASN A 34 -3.736 12.320 -1.681 1.00 23.31 C ATOM 483 O ASN A 34 -4.556 13.052 -1.127 1.00 44.33 O ATOM 484 CB ASN A 34 -5.312 11.681 -3.516 1.00 30.34 C ATOM 485 CG ASN A 34 -5.435 10.781 -4.730 1.00 42.34 C ATOM 486 OD1 ASN A 34 -4.982 11.128 -5.822 1.00 13.14 O ATOM 487 ND2 ASN A 34 -6.050 9.619 -4.546 1.00 25.20 N ATOM 0 H ASN A 34 -2.244 11.105 -4.171 1.00 22.12 H new ATOM 0 HA ASN A 34 -3.531 12.863 -3.739 1.00 3.24 H new ATOM 0 HB2 ASN A 34 -5.793 11.203 -2.662 1.00 30.34 H new ATOM 0 HB3 ASN A 34 -5.846 12.613 -3.702 1.00 30.34 H new ATOM 0 HD21 ASN A 34 -6.163 8.972 -5.327 1.00 25.20 H new ATOM 0 HD22 ASN A 34 -6.410 9.373 -3.624 1.00 25.20 H new ATOM 494 N SER A 35 -2.708 11.771 -1.041 1.00 71.54 N ATOM 495 CA SER A 35 -2.482 12.000 0.381 1.00 70.42 C ATOM 496 C SER A 35 -1.319 12.963 0.598 1.00 51.02 C ATOM 497 O SER A 35 -0.170 12.643 0.297 1.00 2.32 O ATOM 498 CB SER A 35 -2.202 10.675 1.094 1.00 10.41 C ATOM 499 OG SER A 35 -3.312 10.273 1.878 1.00 53.45 O ATOM 0 H SER A 35 -2.019 11.164 -1.485 1.00 71.54 H new ATOM 0 HA SER A 35 -3.384 12.447 0.800 1.00 70.42 H new ATOM 0 HB2 SER A 35 -1.974 9.904 0.358 1.00 10.41 H new ATOM 0 HB3 SER A 35 -1.323 10.779 1.730 1.00 10.41 H new ATOM 0 HG SER A 35 -3.109 9.423 2.322 1.00 53.45 H new ATOM 505 N ASN A 36 -1.628 14.145 1.122 1.00 22.41 N ATOM 506 CA ASN A 36 -0.609 15.156 1.379 1.00 12.34 C ATOM 507 C ASN A 36 -0.065 15.031 2.799 1.00 2.32 C ATOM 508 O ASN A 36 -0.814 14.774 3.742 1.00 64.13 O ATOM 509 CB ASN A 36 -1.186 16.557 1.164 1.00 61.12 C ATOM 510 CG ASN A 36 -0.332 17.638 1.797 1.00 25.23 C ATOM 511 OD1 ASN A 36 -0.791 18.377 2.668 1.00 40.21 O ATOM 512 ND2 ASN A 36 0.919 17.734 1.362 1.00 42.33 N ATOM 0 H ASN A 36 -2.575 14.426 1.377 1.00 22.41 H new ATOM 0 HA ASN A 36 0.211 14.996 0.679 1.00 12.34 H new ATOM 0 HB2 ASN A 36 -1.277 16.749 0.095 1.00 61.12 H new ATOM 0 HB3 ASN A 36 -2.192 16.601 1.582 1.00 61.12 H new ATOM 0 HD21 ASN A 36 1.542 18.442 1.752 1.00 42.33 H new ATOM 0 HD22 ASN A 36 1.257 17.100 0.638 1.00 42.33 H new ATOM 519 N SER A 37 1.243 15.216 2.944 1.00 45.12 N ATOM 520 CA SER A 37 1.889 15.121 4.248 1.00 43.02 C ATOM 521 C SER A 37 2.889 16.257 4.443 1.00 15.32 C ATOM 522 O SER A 37 3.410 16.813 3.476 1.00 25.25 O ATOM 523 CB SER A 37 2.598 13.773 4.392 1.00 21.04 C ATOM 524 OG SER A 37 1.663 12.720 4.556 1.00 45.42 O ATOM 0 H SER A 37 1.876 15.433 2.174 1.00 45.12 H new ATOM 0 HA SER A 37 1.118 15.203 5.015 1.00 43.02 H new ATOM 0 HB2 SER A 37 3.211 13.585 3.511 1.00 21.04 H new ATOM 0 HB3 SER A 37 3.271 13.802 5.249 1.00 21.04 H new ATOM 0 HG SER A 37 2.141 11.869 4.644 1.00 45.42 H new ATOM 530 N ASP A 38 3.149 16.597 5.701 1.00 45.24 N ATOM 531 CA ASP A 38 4.087 17.666 6.025 1.00 53.41 C ATOM 532 C ASP A 38 5.506 17.123 6.158 1.00 10.10 C ATOM 533 O ASP A 38 5.747 16.163 6.891 1.00 43.34 O ATOM 534 CB ASP A 38 3.670 18.363 7.321 1.00 22.13 C ATOM 535 CG ASP A 38 3.768 17.449 8.527 1.00 61.12 C ATOM 536 OD1 ASP A 38 3.617 16.221 8.355 1.00 43.03 O ATOM 537 OD2 ASP A 38 3.996 17.961 9.642 1.00 5.43 O ATOM 0 H ASP A 38 2.724 16.148 6.512 1.00 45.24 H new ATOM 0 HA ASP A 38 4.070 18.390 5.210 1.00 53.41 H new ATOM 0 HB2 ASP A 38 4.301 19.237 7.479 1.00 22.13 H new ATOM 0 HB3 ASP A 38 2.646 18.723 7.223 1.00 22.13 H new ATOM 542 N ILE A 39 6.440 17.742 5.445 1.00 43.53 N ATOM 543 CA ILE A 39 7.835 17.321 5.484 1.00 61.24 C ATOM 544 C ILE A 39 7.948 15.812 5.676 1.00 41.31 C ATOM 545 O ILE A 39 8.711 15.337 6.518 1.00 10.41 O ATOM 546 CB ILE A 39 8.606 18.030 6.612 1.00 4.13 C ATOM 547 CG1 ILE A 39 7.993 17.688 7.972 1.00 65.22 C ATOM 548 CG2 ILE A 39 8.607 19.535 6.389 1.00 34.01 C ATOM 549 CD1 ILE A 39 6.892 18.635 8.394 1.00 72.44 C ATOM 0 H ILE A 39 6.256 18.537 4.833 1.00 43.53 H new ATOM 0 HA ILE A 39 8.275 17.597 4.526 1.00 61.24 H new ATOM 0 HB ILE A 39 9.638 17.680 6.601 1.00 4.13 H new ATOM 0 HG12 ILE A 39 7.595 16.674 7.937 1.00 65.22 H new ATOM 0 HG13 ILE A 39 8.778 17.697 8.728 1.00 65.22 H new ATOM 0 HG21 ILE A 39 9.156 20.022 7.195 1.00 34.01 H new ATOM 0 HG22 ILE A 39 9.085 19.761 5.436 1.00 34.01 H new ATOM 0 HG23 ILE A 39 7.581 19.902 6.376 1.00 34.01 H new ATOM 0 HD11 ILE A 39 6.504 18.332 9.367 1.00 72.44 H new ATOM 0 HD12 ILE A 39 7.289 19.648 8.461 1.00 72.44 H new ATOM 0 HD13 ILE A 39 6.088 18.609 7.659 1.00 72.44 H new ATOM 561 N THR A 40 7.185 15.062 4.888 1.00 74.33 N ATOM 562 CA THR A 40 7.199 13.607 4.970 1.00 31.31 C ATOM 563 C THR A 40 8.615 13.062 4.822 1.00 31.35 C ATOM 564 O THR A 40 9.032 12.179 5.573 1.00 73.03 O ATOM 565 CB THR A 40 6.302 12.974 3.889 1.00 22.03 C ATOM 566 OG1 THR A 40 6.443 11.549 3.908 1.00 4.21 O ATOM 567 CG2 THR A 40 6.660 13.506 2.510 1.00 70.02 C ATOM 0 H THR A 40 6.549 15.438 4.185 1.00 74.33 H new ATOM 0 HA THR A 40 6.811 13.342 5.954 1.00 31.31 H new ATOM 0 HB THR A 40 5.267 13.239 4.106 1.00 22.03 H new ATOM 0 HG1 THR A 40 5.556 11.133 3.934 1.00 4.21 H new ATOM 0 HG21 THR A 40 6.014 13.045 1.763 1.00 70.02 H new ATOM 0 HG22 THR A 40 6.523 14.587 2.490 1.00 70.02 H new ATOM 0 HG23 THR A 40 7.700 13.268 2.287 1.00 70.02 H new ATOM 575 N ASP A 41 9.350 13.593 3.852 1.00 0.00 N ATOM 576 CA ASP A 41 10.721 13.161 3.607 1.00 21.43 C ATOM 577 C ASP A 41 11.715 14.086 4.302 1.00 50.31 C ATOM 578 O ASP A 41 12.924 13.976 4.102 1.00 62.44 O ATOM 579 CB ASP A 41 11.006 13.121 2.105 1.00 13.40 C ATOM 580 CG ASP A 41 10.802 11.741 1.513 1.00 23.41 C ATOM 581 OD1 ASP A 41 9.999 10.967 2.074 1.00 35.53 O ATOM 582 OD2 ASP A 41 11.446 11.434 0.488 1.00 2.22 O ATOM 0 H ASP A 41 9.019 14.324 3.222 1.00 0.00 H new ATOM 0 HA ASP A 41 10.838 12.158 4.017 1.00 21.43 H new ATOM 0 HB2 ASP A 41 10.355 13.831 1.596 1.00 13.40 H new ATOM 0 HB3 ASP A 41 12.032 13.443 1.924 1.00 13.40 H new ATOM 587 N GLN A 42 11.196 14.999 5.117 1.00 30.53 N ATOM 588 CA GLN A 42 12.038 15.944 5.840 1.00 44.43 C ATOM 589 C GLN A 42 12.736 16.898 4.876 1.00 43.23 C ATOM 590 O GLN A 42 13.784 16.575 4.316 1.00 4.34 O ATOM 591 CB GLN A 42 13.077 15.197 6.678 1.00 1.42 C ATOM 592 CG GLN A 42 12.805 15.251 8.173 1.00 43.42 C ATOM 593 CD GLN A 42 11.343 15.035 8.508 1.00 12.22 C ATOM 594 OE1 GLN A 42 10.859 13.903 8.529 1.00 65.10 O ATOM 595 NE2 GLN A 42 10.629 16.123 8.773 1.00 11.14 N ATOM 0 H GLN A 42 10.197 15.104 5.293 1.00 30.53 H new ATOM 0 HA GLN A 42 11.399 16.528 6.503 1.00 44.43 H new ATOM 0 HB2 GLN A 42 13.107 14.155 6.360 1.00 1.42 H new ATOM 0 HB3 GLN A 42 14.062 15.619 6.481 1.00 1.42 H new ATOM 0 HG2 GLN A 42 13.405 14.492 8.675 1.00 43.42 H new ATOM 0 HG3 GLN A 42 13.124 16.218 8.562 1.00 43.42 H new ATOM 0 HE21 GLN A 42 11.070 17.042 8.744 1.00 11.14 H new ATOM 0 HE22 GLN A 42 9.639 16.039 9.005 1.00 11.14 H new ATOM 604 N VAL A 43 12.148 18.075 4.685 1.00 32.14 N ATOM 605 CA VAL A 43 12.713 19.076 3.789 1.00 3.55 C ATOM 606 C VAL A 43 14.024 19.628 4.339 1.00 61.10 C ATOM 607 O VAL A 43 14.054 20.243 5.406 1.00 60.33 O ATOM 608 CB VAL A 43 11.734 20.243 3.562 1.00 73.02 C ATOM 609 CG1 VAL A 43 12.310 21.237 2.565 1.00 14.53 C ATOM 610 CG2 VAL A 43 10.385 19.721 3.088 1.00 5.23 C ATOM 0 H VAL A 43 11.280 18.358 5.139 1.00 32.14 H new ATOM 0 HA VAL A 43 12.901 18.579 2.838 1.00 3.55 H new ATOM 0 HB VAL A 43 11.586 20.760 4.510 1.00 73.02 H new ATOM 0 HG11 VAL A 43 11.604 22.055 2.417 1.00 14.53 H new ATOM 0 HG12 VAL A 43 13.250 21.634 2.949 1.00 14.53 H new ATOM 0 HG13 VAL A 43 12.489 20.736 1.614 1.00 14.53 H new ATOM 0 HG21 VAL A 43 9.705 20.559 2.932 1.00 5.23 H new ATOM 0 HG22 VAL A 43 10.513 19.179 2.151 1.00 5.23 H new ATOM 0 HG23 VAL A 43 9.969 19.051 3.841 1.00 5.23 H new ATOM 620 N THR A 44 15.109 19.405 3.603 1.00 33.51 N ATOM 621 CA THR A 44 16.424 19.878 4.016 1.00 15.14 C ATOM 622 C THR A 44 16.765 21.205 3.348 1.00 11.25 C ATOM 623 O THR A 44 16.708 21.327 2.125 1.00 44.42 O ATOM 624 CB THR A 44 17.521 18.851 3.682 1.00 64.31 C ATOM 625 OG1 THR A 44 18.789 19.316 4.158 1.00 22.11 O ATOM 626 CG2 THR A 44 17.596 18.607 2.182 1.00 13.02 C ATOM 0 H THR A 44 15.102 18.899 2.717 1.00 33.51 H new ATOM 0 HA THR A 44 16.385 20.017 5.096 1.00 15.14 H new ATOM 0 HB THR A 44 17.270 17.912 4.175 1.00 64.31 H new ATOM 0 HG1 THR A 44 19.481 18.656 3.943 1.00 22.11 H new ATOM 0 HG21 THR A 44 18.378 17.878 1.971 1.00 13.02 H new ATOM 0 HG22 THR A 44 16.639 18.225 1.827 1.00 13.02 H new ATOM 0 HG23 THR A 44 17.825 19.543 1.672 1.00 13.02 H new ATOM 634 N TRP A 45 17.119 22.196 4.159 1.00 63.22 N ATOM 635 CA TRP A 45 17.471 23.515 3.645 1.00 73.21 C ATOM 636 C TRP A 45 18.962 23.784 3.810 1.00 64.40 C ATOM 637 O TRP A 45 19.608 23.227 4.698 1.00 62.10 O ATOM 638 CB TRP A 45 16.662 24.597 4.363 1.00 24.42 C ATOM 639 CG TRP A 45 15.182 24.458 4.171 1.00 45.53 C ATOM 640 CD1 TRP A 45 14.394 23.425 4.589 1.00 25.43 C ATOM 641 CD2 TRP A 45 14.314 25.385 3.509 1.00 63.11 C ATOM 642 NE1 TRP A 45 13.089 23.652 4.227 1.00 14.44 N ATOM 643 CE2 TRP A 45 13.013 24.849 3.564 1.00 31.44 C ATOM 644 CE3 TRP A 45 14.509 26.616 2.877 1.00 60.22 C ATOM 645 CZ2 TRP A 45 11.915 25.501 3.010 1.00 11.55 C ATOM 646 CZ3 TRP A 45 13.418 27.262 2.327 1.00 3.44 C ATOM 647 CH2 TRP A 45 12.135 26.705 2.398 1.00 54.14 C ATOM 0 H TRP A 45 17.170 22.111 5.174 1.00 63.22 H new ATOM 0 HA TRP A 45 17.233 23.538 2.582 1.00 73.21 H new ATOM 0 HB2 TRP A 45 16.888 24.562 5.429 1.00 24.42 H new ATOM 0 HB3 TRP A 45 16.978 25.576 4.002 1.00 24.42 H new ATOM 0 HD1 TRP A 45 14.745 22.556 5.126 1.00 25.43 H new ATOM 0 HE1 TRP A 45 12.304 23.031 4.420 1.00 14.44 H new ATOM 0 HE3 TRP A 45 15.494 27.055 2.819 1.00 60.22 H new ATOM 0 HZ2 TRP A 45 10.925 25.072 3.061 1.00 11.55 H new ATOM 0 HZ3 TRP A 45 13.557 28.213 1.834 1.00 3.44 H new ATOM 0 HH2 TRP A 45 11.303 27.236 1.961 1.00 54.14 H new ATOM 658 N ASP A 46 19.503 24.640 2.950 1.00 25.51 N ATOM 659 CA ASP A 46 20.920 24.983 3.002 1.00 32.11 C ATOM 660 C ASP A 46 21.158 26.390 2.463 1.00 71.12 C ATOM 661 O ASP A 46 20.476 26.835 1.540 1.00 42.33 O ATOM 662 CB ASP A 46 21.742 23.971 2.202 1.00 34.11 C ATOM 663 CG ASP A 46 22.125 22.757 3.025 1.00 73.30 C ATOM 664 OD1 ASP A 46 23.086 22.856 3.816 1.00 71.32 O ATOM 665 OD2 ASP A 46 21.464 21.707 2.878 1.00 70.05 O ATOM 0 H ASP A 46 18.982 25.109 2.209 1.00 25.51 H new ATOM 0 HA ASP A 46 21.238 24.954 4.044 1.00 32.11 H new ATOM 0 HB2 ASP A 46 21.170 23.650 1.331 1.00 34.11 H new ATOM 0 HB3 ASP A 46 22.646 24.454 1.830 1.00 34.11 H new ATOM 670 N SER A 47 22.129 27.085 3.046 1.00 1.31 N ATOM 671 CA SER A 47 22.454 28.444 2.628 1.00 71.25 C ATOM 672 C SER A 47 23.869 28.514 2.063 1.00 44.44 C ATOM 673 O SER A 47 24.753 27.763 2.475 1.00 35.34 O ATOM 674 CB SER A 47 22.314 29.410 3.805 1.00 11.23 C ATOM 675 OG SER A 47 22.140 30.742 3.354 1.00 14.21 O ATOM 0 H SER A 47 22.705 26.730 3.809 1.00 1.31 H new ATOM 0 HA SER A 47 21.754 28.734 1.845 1.00 71.25 H new ATOM 0 HB2 SER A 47 21.463 29.117 4.421 1.00 11.23 H new ATOM 0 HB3 SER A 47 23.200 29.349 4.437 1.00 11.23 H new ATOM 0 HG SER A 47 21.367 31.142 3.805 1.00 14.21 H new ATOM 681 N SER A 48 24.077 29.423 1.115 1.00 2.54 N ATOM 682 CA SER A 48 25.384 29.591 0.490 1.00 73.10 C ATOM 683 C SER A 48 26.438 29.969 1.526 1.00 14.23 C ATOM 684 O SER A 48 27.636 29.822 1.291 1.00 41.53 O ATOM 685 CB SER A 48 25.317 30.662 -0.601 1.00 22.33 C ATOM 686 OG SER A 48 26.281 30.421 -1.612 1.00 34.44 O ATOM 0 H SER A 48 23.357 30.054 0.763 1.00 2.54 H new ATOM 0 HA SER A 48 25.668 28.640 0.039 1.00 73.10 H new ATOM 0 HB2 SER A 48 24.320 30.676 -1.041 1.00 22.33 H new ATOM 0 HB3 SER A 48 25.485 31.645 -0.161 1.00 22.33 H new ATOM 0 HG SER A 48 26.217 31.118 -2.298 1.00 34.44 H new ATOM 692 N ASN A 49 25.980 30.457 2.675 1.00 44.31 N ATOM 693 CA ASN A 49 26.883 30.858 3.748 1.00 31.23 C ATOM 694 C ASN A 49 27.825 31.963 3.282 1.00 4.44 C ATOM 695 O ASN A 49 28.814 31.704 2.595 1.00 31.11 O ATOM 696 CB ASN A 49 27.692 29.655 4.238 1.00 50.11 C ATOM 697 CG ASN A 49 28.933 30.067 5.005 1.00 5.22 C ATOM 698 OD1 ASN A 49 30.039 29.611 4.711 1.00 55.53 O ATOM 699 ND2 ASN A 49 28.756 30.934 5.996 1.00 61.32 N ATOM 0 H ASN A 49 24.990 30.584 2.886 1.00 44.31 H new ATOM 0 HA ASN A 49 26.281 31.242 4.571 1.00 31.23 H new ATOM 0 HB2 ASN A 49 27.064 29.033 4.876 1.00 50.11 H new ATOM 0 HB3 ASN A 49 27.982 29.044 3.384 1.00 50.11 H new ATOM 0 HD21 ASN A 49 29.554 31.248 6.548 1.00 61.32 H new ATOM 0 HD22 ASN A 49 27.822 31.286 6.205 1.00 61.32 H new ATOM 706 N THR A 50 27.513 33.199 3.662 1.00 62.32 N ATOM 707 CA THR A 50 28.331 34.344 3.283 1.00 11.21 C ATOM 708 C THR A 50 29.411 34.617 4.324 1.00 60.32 C ATOM 709 O THR A 50 30.602 34.617 4.011 1.00 73.10 O ATOM 710 CB THR A 50 27.474 35.612 3.105 1.00 21.21 C ATOM 711 OG1 THR A 50 26.454 35.380 2.127 1.00 12.14 O ATOM 712 CG2 THR A 50 28.335 36.791 2.678 1.00 53.13 C ATOM 0 H THR A 50 26.700 33.432 4.232 1.00 62.32 H new ATOM 0 HA THR A 50 28.801 34.095 2.332 1.00 11.21 H new ATOM 0 HB THR A 50 27.011 35.849 4.063 1.00 21.21 H new ATOM 0 HG1 THR A 50 26.591 35.978 1.363 1.00 12.14 H new ATOM 0 HG21 THR A 50 27.708 37.675 2.559 1.00 53.13 H new ATOM 0 HG22 THR A 50 29.092 36.983 3.438 1.00 53.13 H new ATOM 0 HG23 THR A 50 28.823 36.561 1.731 1.00 53.13 H new ATOM 720 N ASP A 51 28.988 34.848 5.562 1.00 62.43 N ATOM 721 CA ASP A 51 29.920 35.120 6.650 1.00 64.23 C ATOM 722 C ASP A 51 29.755 34.102 7.774 1.00 3.12 C ATOM 723 O ASP A 51 30.738 33.569 8.291 1.00 54.00 O ATOM 724 CB ASP A 51 29.707 36.535 7.190 1.00 24.42 C ATOM 725 CG ASP A 51 31.000 37.323 7.275 1.00 72.33 C ATOM 726 OD1 ASP A 51 31.752 37.126 8.252 1.00 1.32 O ATOM 727 OD2 ASP A 51 31.259 38.135 6.363 1.00 44.21 O ATOM 0 H ASP A 51 28.006 34.852 5.837 1.00 62.43 H new ATOM 0 HA ASP A 51 30.933 35.039 6.257 1.00 64.23 H new ATOM 0 HB2 ASP A 51 29.004 37.064 6.547 1.00 24.42 H new ATOM 0 HB3 ASP A 51 29.253 36.479 8.180 1.00 24.42 H new ATOM 732 N ILE A 52 28.508 33.839 8.148 1.00 31.33 N ATOM 733 CA ILE A 52 28.215 32.885 9.211 1.00 11.43 C ATOM 734 C ILE A 52 26.712 32.757 9.436 1.00 60.24 C ATOM 735 O ILE A 52 26.072 33.668 9.963 1.00 74.44 O ATOM 736 CB ILE A 52 28.887 33.294 10.535 1.00 0.23 C ATOM 737 CG1 ILE A 52 28.433 32.372 11.669 1.00 43.21 C ATOM 738 CG2 ILE A 52 28.568 34.745 10.865 1.00 23.22 C ATOM 739 CD1 ILE A 52 29.316 32.442 12.895 1.00 45.30 C ATOM 0 H ILE A 52 27.684 34.273 7.731 1.00 31.33 H new ATOM 0 HA ILE A 52 28.616 31.923 8.891 1.00 11.43 H new ATOM 0 HB ILE A 52 29.967 33.196 10.423 1.00 0.23 H new ATOM 0 HG12 ILE A 52 27.413 32.632 11.951 1.00 43.21 H new ATOM 0 HG13 ILE A 52 28.412 31.345 11.305 1.00 43.21 H new ATOM 0 HG21 ILE A 52 29.050 35.019 11.803 1.00 23.22 H new ATOM 0 HG22 ILE A 52 28.936 35.389 10.066 1.00 23.22 H new ATOM 0 HG23 ILE A 52 27.489 34.867 10.962 1.00 23.22 H new ATOM 0 HD11 ILE A 52 28.934 31.763 13.657 1.00 45.30 H new ATOM 0 HD12 ILE A 52 30.333 32.154 12.628 1.00 45.30 H new ATOM 0 HD13 ILE A 52 29.318 33.460 13.284 1.00 45.30 H new ATOM 751 N LEU A 53 26.155 31.620 9.034 1.00 72.20 N ATOM 752 CA LEU A 53 24.726 31.370 9.193 1.00 43.03 C ATOM 753 C LEU A 53 24.465 29.910 9.547 1.00 71.42 C ATOM 754 O LEU A 53 25.218 29.020 9.151 1.00 3.13 O ATOM 755 CB LEU A 53 23.979 31.737 7.910 1.00 53.24 C ATOM 756 CG LEU A 53 24.694 31.408 6.599 1.00 53.34 C ATOM 757 CD1 LEU A 53 24.824 29.903 6.425 1.00 42.11 C ATOM 758 CD2 LEU A 53 23.953 32.021 5.419 1.00 70.11 C ATOM 0 H LEU A 53 26.670 30.857 8.596 1.00 72.20 H new ATOM 0 HA LEU A 53 24.361 31.993 10.010 1.00 43.03 H new ATOM 0 HB2 LEU A 53 23.017 31.225 7.914 1.00 53.24 H new ATOM 0 HB3 LEU A 53 23.770 32.807 7.928 1.00 53.24 H new ATOM 0 HG LEU A 53 25.695 31.837 6.636 1.00 53.34 H new ATOM 0 HD11 LEU A 53 25.335 29.688 5.487 1.00 42.11 H new ATOM 0 HD12 LEU A 53 25.398 29.489 7.254 1.00 42.11 H new ATOM 0 HD13 LEU A 53 23.832 29.452 6.409 1.00 42.11 H new ATOM 0 HD21 LEU A 53 24.476 31.777 4.494 1.00 70.11 H new ATOM 0 HD22 LEU A 53 22.939 31.622 5.379 1.00 70.11 H new ATOM 0 HD23 LEU A 53 23.912 33.104 5.538 1.00 70.11 H new ATOM 770 N SER A 54 23.391 29.670 10.293 1.00 61.13 N ATOM 771 CA SER A 54 23.031 28.317 10.702 1.00 52.35 C ATOM 772 C SER A 54 21.529 28.089 10.559 1.00 61.42 C ATOM 773 O SER A 54 20.724 28.958 10.892 1.00 55.55 O ATOM 774 CB SER A 54 23.461 28.067 12.148 1.00 10.53 C ATOM 775 OG SER A 54 24.317 26.942 12.238 1.00 4.15 O ATOM 0 H SER A 54 22.755 30.395 10.626 1.00 61.13 H new ATOM 0 HA SER A 54 23.552 27.616 10.050 1.00 52.35 H new ATOM 0 HB2 SER A 54 23.971 28.948 12.536 1.00 10.53 H new ATOM 0 HB3 SER A 54 22.580 27.909 12.770 1.00 10.53 H new ATOM 0 HG SER A 54 24.579 26.804 13.172 1.00 4.15 H new ATOM 781 N ILE A 55 21.161 26.913 10.062 1.00 72.41 N ATOM 782 CA ILE A 55 19.757 26.568 9.876 1.00 53.41 C ATOM 783 C ILE A 55 19.446 25.194 10.458 1.00 61.53 C ATOM 784 O ILE A 55 20.159 24.224 10.201 1.00 62.35 O ATOM 785 CB ILE A 55 19.366 26.583 8.386 1.00 0.33 C ATOM 786 CG1 ILE A 55 20.163 25.527 7.617 1.00 12.50 C ATOM 787 CG2 ILE A 55 19.596 27.965 7.792 1.00 33.12 C ATOM 788 CD1 ILE A 55 19.405 24.236 7.403 1.00 21.12 C ATOM 0 H ILE A 55 21.816 26.183 9.781 1.00 72.41 H new ATOM 0 HA ILE A 55 19.174 27.323 10.404 1.00 53.41 H new ATOM 0 HB ILE A 55 18.306 26.344 8.301 1.00 0.33 H new ATOM 0 HG12 ILE A 55 20.451 25.935 6.648 1.00 12.50 H new ATOM 0 HG13 ILE A 55 21.084 25.313 8.159 1.00 12.50 H new ATOM 0 HG21 ILE A 55 19.315 27.960 6.739 1.00 33.12 H new ATOM 0 HG22 ILE A 55 18.989 28.696 8.326 1.00 33.12 H new ATOM 0 HG23 ILE A 55 20.649 28.231 7.885 1.00 33.12 H new ATOM 0 HD11 ILE A 55 20.030 23.534 6.852 1.00 21.12 H new ATOM 0 HD12 ILE A 55 19.140 23.805 8.369 1.00 21.12 H new ATOM 0 HD13 ILE A 55 18.497 24.437 6.834 1.00 21.12 H new ATOM 800 N SER A 56 18.376 25.117 11.242 1.00 74.00 N ATOM 801 CA SER A 56 17.971 23.861 11.862 1.00 32.14 C ATOM 802 C SER A 56 16.531 23.513 11.496 1.00 1.41 C ATOM 803 O SER A 56 15.592 24.189 11.916 1.00 62.52 O ATOM 804 CB SER A 56 18.115 23.949 13.383 1.00 62.21 C ATOM 805 OG SER A 56 17.953 25.282 13.834 1.00 2.33 O ATOM 0 H SER A 56 17.774 25.910 11.463 1.00 74.00 H new ATOM 0 HA SER A 56 18.623 23.073 11.487 1.00 32.14 H new ATOM 0 HB2 SER A 56 17.373 23.308 13.859 1.00 62.21 H new ATOM 0 HB3 SER A 56 19.096 23.578 13.681 1.00 62.21 H new ATOM 0 HG SER A 56 18.048 25.311 14.809 1.00 2.33 H new ATOM 811 N ASN A 57 16.366 22.455 10.710 1.00 63.42 N ATOM 812 CA ASN A 57 15.042 22.016 10.286 1.00 55.44 C ATOM 813 C ASN A 57 14.716 20.639 10.854 1.00 22.44 C ATOM 814 O ASN A 57 13.554 20.313 11.093 1.00 13.21 O ATOM 815 CB ASN A 57 14.958 21.983 8.758 1.00 34.22 C ATOM 816 CG ASN A 57 14.885 23.371 8.152 1.00 3.15 C ATOM 817 OD1 ASN A 57 13.950 23.693 7.420 1.00 72.13 O ATOM 818 ND2 ASN A 57 15.876 24.201 8.456 1.00 1.45 N ATOM 0 H ASN A 57 17.133 21.885 10.353 1.00 63.42 H new ATOM 0 HA ASN A 57 14.311 22.728 10.669 1.00 55.44 H new ATOM 0 HB2 ASN A 57 15.829 21.461 8.360 1.00 34.22 H new ATOM 0 HB3 ASN A 57 14.080 21.412 8.458 1.00 34.22 H new ATOM 0 HD21 ASN A 57 15.882 25.148 8.078 1.00 1.45 H new ATOM 0 HD22 ASN A 57 16.631 23.891 9.067 1.00 1.45 H new ATOM 825 N ALA A 58 15.752 19.834 11.069 1.00 33.35 N ATOM 826 CA ALA A 58 15.577 18.492 11.613 1.00 53.54 C ATOM 827 C ALA A 58 15.584 18.512 13.137 1.00 14.44 C ATOM 828 O ALA A 58 15.604 17.464 13.781 1.00 33.53 O ATOM 829 CB ALA A 58 16.664 17.565 11.090 1.00 2.51 C ATOM 0 H ALA A 58 16.721 20.088 10.875 1.00 33.35 H new ATOM 0 HA ALA A 58 14.607 18.118 11.286 1.00 53.54 H new ATOM 0 HB1 ALA A 58 16.521 16.567 11.504 1.00 2.51 H new ATOM 0 HB2 ALA A 58 16.610 17.518 10.002 1.00 2.51 H new ATOM 0 HB3 ALA A 58 17.641 17.945 11.388 1.00 2.51 H new ATOM 835 N SER A 59 15.568 19.712 13.709 1.00 15.30 N ATOM 836 CA SER A 59 15.577 19.869 15.159 1.00 74.42 C ATOM 837 C SER A 59 14.408 19.121 15.793 1.00 32.41 C ATOM 838 O SER A 59 14.450 18.764 16.971 1.00 65.03 O ATOM 839 CB SER A 59 15.512 21.350 15.534 1.00 42.43 C ATOM 840 OG SER A 59 15.903 21.553 16.881 1.00 43.25 O ATOM 0 H SER A 59 15.549 20.590 13.190 1.00 15.30 H new ATOM 0 HA SER A 59 16.507 19.446 15.539 1.00 74.42 H new ATOM 0 HB2 SER A 59 16.161 21.924 14.873 1.00 42.43 H new ATOM 0 HB3 SER A 59 14.498 21.721 15.387 1.00 42.43 H new ATOM 0 HG SER A 59 15.854 22.508 17.095 1.00 43.25 H new ATOM 846 N ASP A 60 13.365 18.887 15.004 1.00 63.23 N ATOM 847 CA ASP A 60 12.184 18.180 15.486 1.00 2.42 C ATOM 848 C ASP A 60 11.156 18.016 14.371 1.00 22.21 C ATOM 849 O ASP A 60 10.486 16.987 14.278 1.00 41.40 O ATOM 850 CB ASP A 60 11.561 18.930 16.665 1.00 41.34 C ATOM 851 CG ASP A 60 11.108 17.997 17.770 1.00 2.23 C ATOM 852 OD1 ASP A 60 9.991 17.450 17.664 1.00 61.35 O ATOM 853 OD2 ASP A 60 11.870 17.815 18.743 1.00 44.11 O ATOM 0 H ASP A 60 13.313 19.177 14.027 1.00 63.23 H new ATOM 0 HA ASP A 60 12.494 17.189 15.818 1.00 2.42 H new ATOM 0 HB2 ASP A 60 12.287 19.638 17.066 1.00 41.34 H new ATOM 0 HB3 ASP A 60 10.709 19.512 16.313 1.00 41.34 H new ATOM 858 N SER A 61 11.037 19.036 13.528 1.00 53.30 N ATOM 859 CA SER A 61 10.087 19.007 12.422 1.00 72.10 C ATOM 860 C SER A 61 10.074 20.340 11.681 1.00 44.41 C ATOM 861 O SER A 61 10.517 20.431 10.535 1.00 12.32 O ATOM 862 CB SER A 61 8.683 18.683 12.936 1.00 13.23 C ATOM 863 OG SER A 61 8.408 19.377 14.141 1.00 4.11 O ATOM 0 H SER A 61 11.587 19.893 13.589 1.00 53.30 H new ATOM 0 HA SER A 61 10.401 18.228 11.727 1.00 72.10 H new ATOM 0 HB2 SER A 61 7.945 18.953 12.181 1.00 13.23 H new ATOM 0 HB3 SER A 61 8.592 17.610 13.102 1.00 13.23 H new ATOM 0 HG SER A 61 7.504 19.154 14.448 1.00 4.11 H new ATOM 869 N HIS A 62 9.564 21.374 12.343 1.00 21.33 N ATOM 870 CA HIS A 62 9.494 22.704 11.749 1.00 72.33 C ATOM 871 C HIS A 62 10.844 23.110 11.166 1.00 1.42 C ATOM 872 O HIS A 62 11.893 22.694 11.655 1.00 22.32 O ATOM 873 CB HIS A 62 9.045 23.728 12.791 1.00 5.51 C ATOM 874 CG HIS A 62 9.862 23.703 14.046 1.00 22.32 C ATOM 875 ND1 HIS A 62 9.329 23.417 15.285 1.00 10.54 N ATOM 876 CD2 HIS A 62 11.182 23.927 14.249 1.00 54.03 C ATOM 877 CE1 HIS A 62 10.285 23.469 16.196 1.00 14.21 C ATOM 878 NE2 HIS A 62 11.419 23.776 15.593 1.00 52.12 N ATOM 0 H HIS A 62 9.193 21.316 13.291 1.00 21.33 H new ATOM 0 HA HIS A 62 8.763 22.676 10.941 1.00 72.33 H new ATOM 0 HB2 HIS A 62 9.096 24.725 12.354 1.00 5.51 H new ATOM 0 HB3 HIS A 62 8.001 23.544 13.043 1.00 5.51 H new ATOM 0 HD2 HIS A 62 11.913 24.178 13.494 1.00 54.03 H new ATOM 0 HE1 HIS A 62 10.160 23.291 17.254 1.00 14.21 H new ATOM 0 HE2 HIS A 62 12.324 23.883 16.051 1.00 52.12 H new ATOM 886 N GLY A 63 10.809 23.927 10.117 1.00 22.22 N ATOM 887 CA GLY A 63 12.036 24.375 9.485 1.00 41.01 C ATOM 888 C GLY A 63 12.305 25.848 9.721 1.00 41.14 C ATOM 889 O GLY A 63 11.489 26.700 9.368 1.00 15.20 O ATOM 0 H GLY A 63 9.953 24.286 9.694 1.00 22.22 H new ATOM 0 HA2 GLY A 63 12.873 23.790 9.867 1.00 41.01 H new ATOM 0 HA3 GLY A 63 11.979 24.186 8.413 1.00 41.01 H new ATOM 893 N LEU A 64 13.452 26.150 10.320 1.00 73.14 N ATOM 894 CA LEU A 64 13.826 27.531 10.604 1.00 61.10 C ATOM 895 C LEU A 64 15.197 27.855 10.019 1.00 51.02 C ATOM 896 O LEU A 64 16.012 26.962 9.790 1.00 70.10 O ATOM 897 CB LEU A 64 13.832 27.778 12.114 1.00 70.14 C ATOM 898 CG LEU A 64 12.475 28.084 12.749 1.00 43.31 C ATOM 899 CD1 LEU A 64 11.941 29.418 12.249 1.00 31.43 C ATOM 900 CD2 LEU A 64 11.485 26.967 12.456 1.00 74.02 C ATOM 0 H LEU A 64 14.139 25.457 10.618 1.00 73.14 H new ATOM 0 HA LEU A 64 13.089 28.185 10.138 1.00 61.10 H new ATOM 0 HB2 LEU A 64 14.250 26.899 12.604 1.00 70.14 H new ATOM 0 HB3 LEU A 64 14.505 28.610 12.323 1.00 70.14 H new ATOM 0 HG LEU A 64 12.607 28.150 13.829 1.00 43.31 H new ATOM 0 HD11 LEU A 64 10.975 29.619 12.711 1.00 31.43 H new ATOM 0 HD12 LEU A 64 12.641 30.211 12.511 1.00 31.43 H new ATOM 0 HD13 LEU A 64 11.824 29.380 11.166 1.00 31.43 H new ATOM 0 HD21 LEU A 64 10.525 27.202 12.916 1.00 74.02 H new ATOM 0 HD22 LEU A 64 11.357 26.868 11.378 1.00 74.02 H new ATOM 0 HD23 LEU A 64 11.863 26.030 12.864 1.00 74.02 H new ATOM 912 N ALA A 65 15.444 29.139 9.781 1.00 64.11 N ATOM 913 CA ALA A 65 16.718 29.581 9.227 1.00 51.52 C ATOM 914 C ALA A 65 17.231 30.821 9.952 1.00 22.20 C ATOM 915 O ALA A 65 16.523 31.821 10.069 1.00 21.13 O ATOM 916 CB ALA A 65 16.577 29.859 7.737 1.00 3.45 C ATOM 0 H ALA A 65 14.779 29.891 9.963 1.00 64.11 H new ATOM 0 HA ALA A 65 17.445 28.782 9.370 1.00 51.52 H new ATOM 0 HB1 ALA A 65 17.536 30.188 7.336 1.00 3.45 H new ATOM 0 HB2 ALA A 65 16.263 28.949 7.225 1.00 3.45 H new ATOM 0 HB3 ALA A 65 15.831 30.639 7.581 1.00 3.45 H new ATOM 922 N SER A 66 18.466 30.748 10.438 1.00 63.53 N ATOM 923 CA SER A 66 19.073 31.862 11.156 1.00 53.42 C ATOM 924 C SER A 66 20.284 32.401 10.400 1.00 32.13 C ATOM 925 O SER A 66 21.255 31.681 10.165 1.00 0.02 O ATOM 926 CB SER A 66 19.488 31.426 12.562 1.00 35.51 C ATOM 927 OG SER A 66 19.987 32.521 13.310 1.00 71.21 O ATOM 0 H SER A 66 19.066 29.928 10.347 1.00 63.53 H new ATOM 0 HA SER A 66 18.332 32.657 11.234 1.00 53.42 H new ATOM 0 HB2 SER A 66 18.633 30.989 13.078 1.00 35.51 H new ATOM 0 HB3 SER A 66 20.250 30.650 12.495 1.00 35.51 H new ATOM 0 HG SER A 66 20.244 32.216 14.205 1.00 71.21 H new ATOM 933 N THR A 67 20.219 33.674 10.021 1.00 23.35 N ATOM 934 CA THR A 67 21.308 34.310 9.292 1.00 44.04 C ATOM 935 C THR A 67 22.048 35.312 10.171 1.00 52.12 C ATOM 936 O THR A 67 21.440 36.002 10.991 1.00 73.45 O ATOM 937 CB THR A 67 20.794 35.031 8.031 1.00 2.34 C ATOM 938 OG1 THR A 67 19.561 34.445 7.600 1.00 10.13 O ATOM 939 CG2 THR A 67 21.818 34.955 6.909 1.00 72.04 C ATOM 0 H THR A 67 19.423 34.284 10.207 1.00 23.35 H new ATOM 0 HA THR A 67 21.994 33.517 8.994 1.00 44.04 H new ATOM 0 HB THR A 67 20.629 36.079 8.280 1.00 2.34 H new ATOM 0 HG1 THR A 67 19.240 34.910 6.799 1.00 10.13 H new ATOM 0 HG21 THR A 67 21.433 35.471 6.029 1.00 72.04 H new ATOM 0 HG22 THR A 67 22.746 35.429 7.230 1.00 72.04 H new ATOM 0 HG23 THR A 67 22.010 33.911 6.662 1.00 72.04 H new ATOM 947 N LEU A 68 23.362 35.389 9.995 1.00 24.23 N ATOM 948 CA LEU A 68 24.186 36.308 10.773 1.00 53.41 C ATOM 949 C LEU A 68 25.385 36.786 9.960 1.00 13.01 C ATOM 950 O LEU A 68 26.522 36.742 10.428 1.00 35.12 O ATOM 951 CB LEU A 68 24.664 35.633 12.059 1.00 34.24 C ATOM 952 CG LEU A 68 25.300 36.551 13.103 1.00 3.01 C ATOM 953 CD1 LEU A 68 24.569 36.437 14.432 1.00 62.33 C ATOM 954 CD2 LEU A 68 26.776 36.221 13.274 1.00 0.33 C ATOM 0 H LEU A 68 23.880 34.826 9.320 1.00 24.23 H new ATOM 0 HA LEU A 68 23.576 37.174 11.030 1.00 53.41 H new ATOM 0 HB2 LEU A 68 23.814 35.128 12.518 1.00 34.24 H new ATOM 0 HB3 LEU A 68 25.387 34.862 11.794 1.00 34.24 H new ATOM 0 HG LEU A 68 25.216 37.580 12.753 1.00 3.01 H new ATOM 0 HD11 LEU A 68 25.036 37.098 15.162 1.00 62.33 H new ATOM 0 HD12 LEU A 68 23.526 36.723 14.299 1.00 62.33 H new ATOM 0 HD13 LEU A 68 24.620 35.408 14.788 1.00 62.33 H new ATOM 0 HD21 LEU A 68 27.213 36.884 14.021 1.00 0.33 H new ATOM 0 HD22 LEU A 68 26.882 35.187 13.601 1.00 0.33 H new ATOM 0 HD23 LEU A 68 27.292 36.356 12.323 1.00 0.33 H new ATOM 966 N ASN A 69 25.122 37.244 8.741 1.00 53.35 N ATOM 967 CA ASN A 69 26.179 37.732 7.863 1.00 43.22 C ATOM 968 C ASN A 69 25.823 39.101 7.290 1.00 20.24 C ATOM 969 O ASN A 69 24.721 39.606 7.504 1.00 22.52 O ATOM 970 CB ASN A 69 26.425 36.739 6.725 1.00 50.30 C ATOM 971 CG ASN A 69 25.172 35.976 6.343 1.00 34.22 C ATOM 972 OD1 ASN A 69 24.332 36.474 5.593 1.00 1.01 O ATOM 973 ND2 ASN A 69 25.040 34.759 6.860 1.00 55.54 N ATOM 0 H ASN A 69 24.186 37.288 8.338 1.00 53.35 H new ATOM 0 HA ASN A 69 27.090 37.831 8.454 1.00 43.22 H new ATOM 0 HB2 ASN A 69 26.801 37.275 5.853 1.00 50.30 H new ATOM 0 HB3 ASN A 69 27.200 36.033 7.023 1.00 50.30 H new ATOM 0 HD21 ASN A 69 24.217 34.198 6.640 1.00 55.54 H new ATOM 0 HD22 ASN A 69 25.761 34.386 7.477 1.00 55.54 H new ATOM 980 N GLN A 70 26.763 39.694 6.562 1.00 40.40 N ATOM 981 CA GLN A 70 26.548 41.004 5.959 1.00 52.41 C ATOM 982 C GLN A 70 26.765 40.952 4.450 1.00 20.53 C ATOM 983 O GLN A 70 27.707 41.545 3.927 1.00 1.44 O ATOM 984 CB GLN A 70 27.486 42.038 6.585 1.00 33.12 C ATOM 985 CG GLN A 70 28.927 41.567 6.690 1.00 62.22 C ATOM 986 CD GLN A 70 29.907 42.714 6.840 1.00 53.12 C ATOM 987 OE1 GLN A 70 30.529 43.145 5.869 1.00 42.03 O ATOM 988 NE2 GLN A 70 30.049 43.216 8.061 1.00 74.01 N ATOM 0 H GLN A 70 27.680 39.289 6.375 1.00 40.40 H new ATOM 0 HA GLN A 70 25.516 41.298 6.149 1.00 52.41 H new ATOM 0 HB2 GLN A 70 27.454 42.952 5.992 1.00 33.12 H new ATOM 0 HB3 GLN A 70 27.122 42.291 7.581 1.00 33.12 H new ATOM 0 HG2 GLN A 70 29.025 40.897 7.544 1.00 62.22 H new ATOM 0 HG3 GLN A 70 29.182 40.990 5.801 1.00 62.22 H new ATOM 0 HE21 GLN A 70 29.513 42.828 8.837 1.00 74.01 H new ATOM 0 HE22 GLN A 70 30.694 43.990 8.223 1.00 74.01 H new ATOM 997 N GLY A 71 25.886 40.235 3.755 1.00 2.34 N ATOM 998 CA GLY A 71 26.000 40.118 2.313 1.00 30.34 C ATOM 999 C GLY A 71 24.810 39.412 1.694 1.00 62.23 C ATOM 1000 O GLY A 71 23.688 39.523 2.186 1.00 5.31 O ATOM 0 H GLY A 71 25.098 39.734 4.165 1.00 2.34 H new ATOM 0 HA2 GLY A 71 26.096 41.112 1.877 1.00 30.34 H new ATOM 0 HA3 GLY A 71 26.911 39.573 2.066 1.00 30.34 H new ATOM 1004 N ASN A 72 25.055 38.684 0.609 1.00 41.23 N ATOM 1005 CA ASN A 72 23.994 37.959 -0.081 1.00 0.22 C ATOM 1006 C ASN A 72 24.164 36.453 0.091 1.00 31.22 C ATOM 1007 O ASN A 72 25.251 35.913 -0.112 1.00 24.51 O ATOM 1008 CB ASN A 72 23.987 38.316 -1.569 1.00 2.45 C ATOM 1009 CG ASN A 72 25.261 39.017 -2.001 1.00 13.33 C ATOM 1010 OD1 ASN A 72 26.169 38.395 -2.552 1.00 33.34 O ATOM 1011 ND2 ASN A 72 25.333 40.320 -1.752 1.00 33.34 N ATOM 0 H ASN A 72 25.979 38.581 0.189 1.00 41.23 H new ATOM 0 HA ASN A 72 23.042 38.252 0.360 1.00 0.22 H new ATOM 0 HB2 ASN A 72 23.858 37.408 -2.157 1.00 2.45 H new ATOM 0 HB3 ASN A 72 23.132 38.958 -1.782 1.00 2.45 H new ATOM 0 HD21 ASN A 72 26.165 40.845 -2.020 1.00 33.34 H new ATOM 0 HD22 ASN A 72 24.556 40.795 -1.293 1.00 33.34 H new ATOM 1018 N VAL A 73 23.081 35.780 0.466 1.00 31.54 N ATOM 1019 CA VAL A 73 23.109 34.335 0.664 1.00 12.31 C ATOM 1020 C VAL A 73 22.100 33.637 -0.241 1.00 43.01 C ATOM 1021 O VAL A 73 21.108 34.233 -0.660 1.00 40.43 O ATOM 1022 CB VAL A 73 22.811 33.963 2.129 1.00 51.51 C ATOM 1023 CG1 VAL A 73 23.818 34.619 3.062 1.00 55.43 C ATOM 1024 CG2 VAL A 73 21.390 34.360 2.500 1.00 1.14 C ATOM 0 H VAL A 73 22.173 36.212 0.639 1.00 31.54 H new ATOM 0 HA VAL A 73 24.114 34.000 0.409 1.00 12.31 H new ATOM 0 HB VAL A 73 22.902 32.882 2.238 1.00 51.51 H new ATOM 0 HG11 VAL A 73 23.592 34.345 4.092 1.00 55.43 H new ATOM 0 HG12 VAL A 73 24.823 34.281 2.809 1.00 55.43 H new ATOM 0 HG13 VAL A 73 23.762 35.702 2.954 1.00 55.43 H new ATOM 0 HG21 VAL A 73 21.196 34.090 3.538 1.00 1.14 H new ATOM 0 HG22 VAL A 73 21.269 35.436 2.376 1.00 1.14 H new ATOM 0 HG23 VAL A 73 20.686 33.839 1.852 1.00 1.14 H new ATOM 1034 N LYS A 74 22.360 32.369 -0.539 1.00 62.44 N ATOM 1035 CA LYS A 74 21.475 31.586 -1.394 1.00 0.21 C ATOM 1036 C LYS A 74 20.858 30.425 -0.620 1.00 51.52 C ATOM 1037 O LYS A 74 21.533 29.444 -0.311 1.00 61.52 O ATOM 1038 CB LYS A 74 22.242 31.054 -2.607 1.00 1.15 C ATOM 1039 CG LYS A 74 21.343 30.599 -3.743 1.00 62.20 C ATOM 1040 CD LYS A 74 20.597 31.767 -4.366 1.00 20.20 C ATOM 1041 CE LYS A 74 20.355 31.545 -5.851 1.00 42.22 C ATOM 1042 NZ LYS A 74 19.772 32.750 -6.504 1.00 33.11 N ATOM 0 H LYS A 74 23.177 31.861 -0.201 1.00 62.44 H new ATOM 0 HA LYS A 74 20.672 32.238 -1.738 1.00 0.21 H new ATOM 0 HB2 LYS A 74 22.911 31.833 -2.974 1.00 1.15 H new ATOM 0 HB3 LYS A 74 22.868 30.219 -2.293 1.00 1.15 H new ATOM 0 HG2 LYS A 74 21.942 30.101 -4.505 1.00 62.20 H new ATOM 0 HG3 LYS A 74 20.627 29.866 -3.371 1.00 62.20 H new ATOM 0 HD2 LYS A 74 19.643 31.904 -3.857 1.00 20.20 H new ATOM 0 HD3 LYS A 74 21.169 32.684 -4.222 1.00 20.20 H new ATOM 0 HE2 LYS A 74 21.296 31.287 -6.338 1.00 42.22 H new ATOM 0 HE3 LYS A 74 19.683 30.697 -5.987 1.00 42.22 H new ATOM 0 HZ1 LYS A 74 19.622 32.559 -7.515 1.00 33.11 H new ATOM 0 HZ2 LYS A 74 18.862 32.981 -6.057 1.00 33.11 H new ATOM 0 HZ3 LYS A 74 20.424 33.553 -6.397 1.00 33.11 H new ATOM 1056 N VAL A 75 19.570 30.544 -0.311 1.00 45.12 N ATOM 1057 CA VAL A 75 18.862 29.503 0.424 1.00 13.51 C ATOM 1058 C VAL A 75 18.193 28.517 -0.527 1.00 1.12 C ATOM 1059 O VAL A 75 17.321 28.888 -1.313 1.00 41.51 O ATOM 1060 CB VAL A 75 17.794 30.104 1.358 1.00 72.05 C ATOM 1061 CG1 VAL A 75 17.035 29.001 2.080 1.00 3.44 C ATOM 1062 CG2 VAL A 75 18.433 31.062 2.351 1.00 3.20 C ATOM 0 H VAL A 75 18.997 31.350 -0.558 1.00 45.12 H new ATOM 0 HA VAL A 75 19.605 28.977 1.024 1.00 13.51 H new ATOM 0 HB VAL A 75 17.082 30.666 0.754 1.00 72.05 H new ATOM 0 HG11 VAL A 75 16.285 29.444 2.735 1.00 3.44 H new ATOM 0 HG12 VAL A 75 16.544 28.358 1.349 1.00 3.44 H new ATOM 0 HG13 VAL A 75 17.731 28.409 2.674 1.00 3.44 H new ATOM 0 HG21 VAL A 75 17.664 31.477 3.003 1.00 3.20 H new ATOM 0 HG22 VAL A 75 19.168 30.526 2.952 1.00 3.20 H new ATOM 0 HG23 VAL A 75 18.926 31.870 1.811 1.00 3.20 H new ATOM 1072 N THR A 76 18.607 27.256 -0.450 1.00 20.02 N ATOM 1073 CA THR A 76 18.049 26.215 -1.304 1.00 22.03 C ATOM 1074 C THR A 76 17.718 24.963 -0.499 1.00 54.24 C ATOM 1075 O THR A 76 18.455 24.585 0.410 1.00 11.23 O ATOM 1076 CB THR A 76 19.020 25.840 -2.439 1.00 60.42 C ATOM 1077 OG1 THR A 76 19.939 26.913 -2.673 1.00 21.44 O ATOM 1078 CG2 THR A 76 18.260 25.528 -3.720 1.00 4.22 C ATOM 0 H THR A 76 19.327 26.931 0.195 1.00 20.02 H new ATOM 0 HA THR A 76 17.134 26.618 -1.737 1.00 22.03 H new ATOM 0 HB THR A 76 19.572 24.950 -2.136 1.00 60.42 H new ATOM 0 HG1 THR A 76 20.554 26.666 -3.395 1.00 21.44 H new ATOM 0 HG21 THR A 76 18.967 25.266 -4.508 1.00 4.22 H new ATOM 0 HG22 THR A 76 17.583 24.692 -3.547 1.00 4.22 H new ATOM 0 HG23 THR A 76 17.685 26.403 -4.024 1.00 4.22 H new ATOM 1086 N ALA A 77 16.604 24.324 -0.841 1.00 71.43 N ATOM 1087 CA ALA A 77 16.176 23.112 -0.152 1.00 45.34 C ATOM 1088 C ALA A 77 15.593 22.100 -1.132 1.00 52.34 C ATOM 1089 O ALA A 77 15.236 22.447 -2.258 1.00 63.35 O ATOM 1090 CB ALA A 77 15.160 23.450 0.928 1.00 10.51 C ATOM 0 H ALA A 77 15.982 24.625 -1.591 1.00 71.43 H new ATOM 0 HA ALA A 77 17.051 22.662 0.316 1.00 45.34 H new ATOM 0 HB1 ALA A 77 14.849 22.536 1.434 1.00 10.51 H new ATOM 0 HB2 ALA A 77 15.610 24.130 1.651 1.00 10.51 H new ATOM 0 HB3 ALA A 77 14.291 23.927 0.474 1.00 10.51 H new ATOM 1096 N SER A 78 15.499 20.848 -0.697 1.00 32.02 N ATOM 1097 CA SER A 78 14.962 19.784 -1.538 1.00 4.41 C ATOM 1098 C SER A 78 14.200 18.762 -0.701 1.00 21.14 C ATOM 1099 O SER A 78 14.653 18.360 0.372 1.00 50.23 O ATOM 1100 CB SER A 78 16.092 19.093 -2.304 1.00 75.23 C ATOM 1101 OG SER A 78 16.038 19.407 -3.685 1.00 0.30 O ATOM 0 H SER A 78 15.788 20.545 0.233 1.00 32.02 H new ATOM 0 HA SER A 78 14.269 20.232 -2.251 1.00 4.41 H new ATOM 0 HB2 SER A 78 17.054 19.401 -1.895 1.00 75.23 H new ATOM 0 HB3 SER A 78 16.020 18.014 -2.170 1.00 75.23 H new ATOM 0 HG SER A 78 16.771 18.955 -4.152 1.00 0.30 H new ATOM 1107 N ILE A 79 13.041 18.345 -1.198 1.00 54.53 N ATOM 1108 CA ILE A 79 12.215 17.369 -0.497 1.00 45.45 C ATOM 1109 C ILE A 79 11.608 16.364 -1.470 1.00 23.33 C ATOM 1110 O ILE A 79 11.113 16.734 -2.533 1.00 61.23 O ATOM 1111 CB ILE A 79 11.083 18.053 0.291 1.00 34.40 C ATOM 1112 CG1 ILE A 79 10.317 17.022 1.123 1.00 60.51 C ATOM 1113 CG2 ILE A 79 10.141 18.780 -0.657 1.00 45.42 C ATOM 1114 CD1 ILE A 79 11.191 16.260 2.094 1.00 20.34 C ATOM 0 H ILE A 79 12.652 18.668 -2.084 1.00 54.53 H new ATOM 0 HA ILE A 79 12.868 16.846 0.202 1.00 45.45 H new ATOM 0 HB ILE A 79 11.523 18.786 0.968 1.00 34.40 H new ATOM 0 HG12 ILE A 79 9.528 17.529 1.678 1.00 60.51 H new ATOM 0 HG13 ILE A 79 9.831 16.314 0.452 1.00 60.51 H new ATOM 0 HG21 ILE A 79 9.346 19.258 -0.084 1.00 45.42 H new ATOM 0 HG22 ILE A 79 10.695 19.537 -1.211 1.00 45.42 H new ATOM 0 HG23 ILE A 79 9.705 18.066 -1.356 1.00 45.42 H new ATOM 0 HD11 ILE A 79 10.582 15.547 2.650 1.00 20.34 H new ATOM 0 HD12 ILE A 79 11.965 15.725 1.544 1.00 20.34 H new ATOM 0 HD13 ILE A 79 11.657 16.958 2.789 1.00 20.34 H new ATOM 1126 N GLY A 80 11.649 15.088 -1.096 1.00 12.33 N ATOM 1127 CA GLY A 80 11.098 14.048 -1.945 1.00 13.42 C ATOM 1128 C GLY A 80 11.648 14.100 -3.356 1.00 53.53 C ATOM 1129 O GLY A 80 12.758 13.638 -3.615 1.00 10.11 O ATOM 0 H GLY A 80 12.054 14.757 -0.220 1.00 12.33 H new ATOM 0 HA2 GLY A 80 11.317 13.073 -1.509 1.00 13.42 H new ATOM 0 HA3 GLY A 80 10.013 14.147 -1.977 1.00 13.42 H new ATOM 1133 N GLY A 81 10.867 14.664 -4.274 1.00 3.24 N ATOM 1134 CA GLY A 81 11.299 14.763 -5.656 1.00 21.34 C ATOM 1135 C GLY A 81 11.511 16.198 -6.096 1.00 23.41 C ATOM 1136 O GLY A 81 12.574 16.544 -6.613 1.00 54.24 O ATOM 0 H GLY A 81 9.944 15.054 -4.085 1.00 3.24 H new ATOM 0 HA2 GLY A 81 12.227 14.206 -5.784 1.00 21.34 H new ATOM 0 HA3 GLY A 81 10.555 14.295 -6.300 1.00 21.34 H new ATOM 1140 N ILE A 82 10.499 17.033 -5.892 1.00 13.30 N ATOM 1141 CA ILE A 82 10.580 18.438 -6.272 1.00 53.03 C ATOM 1142 C ILE A 82 11.506 19.208 -5.337 1.00 40.13 C ATOM 1143 O ILE A 82 11.696 18.826 -4.183 1.00 74.20 O ATOM 1144 CB ILE A 82 9.191 19.104 -6.265 1.00 3.45 C ATOM 1145 CG1 ILE A 82 8.179 18.233 -7.011 1.00 30.34 C ATOM 1146 CG2 ILE A 82 9.266 20.490 -6.887 1.00 55.53 C ATOM 1147 CD1 ILE A 82 8.549 17.979 -8.455 1.00 52.02 C ATOM 0 H ILE A 82 9.613 16.762 -5.466 1.00 13.30 H new ATOM 0 HA ILE A 82 10.983 18.468 -7.284 1.00 53.03 H new ATOM 0 HB ILE A 82 8.859 19.208 -5.232 1.00 3.45 H new ATOM 0 HG12 ILE A 82 8.084 17.277 -6.495 1.00 30.34 H new ATOM 0 HG13 ILE A 82 7.201 18.713 -6.974 1.00 30.34 H new ATOM 0 HG21 ILE A 82 8.277 20.948 -6.875 1.00 55.53 H new ATOM 0 HG22 ILE A 82 9.959 21.108 -6.316 1.00 55.53 H new ATOM 0 HG23 ILE A 82 9.616 20.409 -7.916 1.00 55.53 H new ATOM 0 HD11 ILE A 82 7.787 17.355 -8.921 1.00 52.02 H new ATOM 0 HD12 ILE A 82 8.615 18.929 -8.986 1.00 52.02 H new ATOM 0 HD13 ILE A 82 9.512 17.470 -8.500 1.00 52.02 H new ATOM 1159 N GLN A 83 12.079 20.295 -5.844 1.00 14.42 N ATOM 1160 CA GLN A 83 12.984 21.120 -5.053 1.00 3.11 C ATOM 1161 C GLN A 83 12.599 22.593 -5.144 1.00 43.02 C ATOM 1162 O GLN A 83 11.861 22.997 -6.041 1.00 52.51 O ATOM 1163 CB GLN A 83 14.427 20.928 -5.525 1.00 34.52 C ATOM 1164 CG GLN A 83 14.669 21.401 -6.949 1.00 22.02 C ATOM 1165 CD GLN A 83 16.113 21.789 -7.197 1.00 5.23 C ATOM 1166 OE1 GLN A 83 16.395 22.823 -7.804 1.00 61.42 O ATOM 1167 NE2 GLN A 83 17.039 20.961 -6.726 1.00 75.23 N ATOM 0 H GLN A 83 11.933 20.624 -6.798 1.00 14.42 H new ATOM 0 HA GLN A 83 12.904 20.806 -4.012 1.00 3.11 H new ATOM 0 HB2 GLN A 83 15.095 21.467 -4.853 1.00 34.52 H new ATOM 0 HB3 GLN A 83 14.687 19.872 -5.453 1.00 34.52 H new ATOM 0 HG2 GLN A 83 14.385 20.611 -7.644 1.00 22.02 H new ATOM 0 HG3 GLN A 83 14.026 22.256 -7.158 1.00 22.02 H new ATOM 0 HE21 GLN A 83 16.761 20.115 -6.229 1.00 75.23 H new ATOM 0 HE22 GLN A 83 18.028 21.171 -6.862 1.00 75.23 H new ATOM 1176 N GLY A 84 13.105 23.391 -4.209 1.00 2.23 N ATOM 1177 CA GLY A 84 12.803 24.810 -4.202 1.00 15.44 C ATOM 1178 C GLY A 84 14.046 25.668 -4.070 1.00 34.34 C ATOM 1179 O GLY A 84 15.120 25.168 -3.735 1.00 13.21 O ATOM 0 H GLY A 84 13.719 23.080 -3.456 1.00 2.23 H new ATOM 0 HA2 GLY A 84 12.281 25.072 -5.123 1.00 15.44 H new ATOM 0 HA3 GLY A 84 12.125 25.030 -3.378 1.00 15.44 H new ATOM 1183 N SER A 85 13.901 26.962 -4.335 1.00 11.13 N ATOM 1184 CA SER A 85 15.022 27.890 -4.249 1.00 45.01 C ATOM 1185 C SER A 85 14.560 29.257 -3.753 1.00 62.23 C ATOM 1186 O SER A 85 13.450 29.697 -4.054 1.00 42.41 O ATOM 1187 CB SER A 85 15.700 28.032 -5.614 1.00 15.13 C ATOM 1188 OG SER A 85 14.750 27.966 -6.663 1.00 51.45 O ATOM 0 H SER A 85 13.018 27.392 -4.611 1.00 11.13 H new ATOM 0 HA SER A 85 15.740 27.488 -3.534 1.00 45.01 H new ATOM 0 HB2 SER A 85 16.234 28.981 -5.662 1.00 15.13 H new ATOM 0 HB3 SER A 85 16.441 27.243 -5.740 1.00 15.13 H new ATOM 0 HG SER A 85 15.207 28.061 -7.525 1.00 51.45 H new ATOM 1194 N THR A 86 15.420 29.925 -2.990 1.00 62.35 N ATOM 1195 CA THR A 86 15.101 31.241 -2.451 1.00 64.51 C ATOM 1196 C THR A 86 16.344 32.120 -2.378 1.00 1.45 C ATOM 1197 O THR A 86 17.465 31.621 -2.274 1.00 73.01 O ATOM 1198 CB THR A 86 14.477 31.136 -1.047 1.00 74.21 C ATOM 1199 OG1 THR A 86 13.699 29.938 -0.945 1.00 24.51 O ATOM 1200 CG2 THR A 86 13.598 32.343 -0.754 1.00 70.34 C ATOM 0 H THR A 86 16.343 29.576 -2.732 1.00 62.35 H new ATOM 0 HA THR A 86 14.378 31.694 -3.129 1.00 64.51 H new ATOM 0 HB THR A 86 15.285 31.108 -0.316 1.00 74.21 H new ATOM 0 HG1 THR A 86 13.440 29.795 -0.011 1.00 24.51 H new ATOM 0 HG21 THR A 86 13.168 32.247 0.243 1.00 70.34 H new ATOM 0 HG22 THR A 86 14.199 33.251 -0.804 1.00 70.34 H new ATOM 0 HG23 THR A 86 12.797 32.397 -1.491 1.00 70.34 H new ATOM 1208 N ASP A 87 16.139 33.432 -2.431 1.00 33.32 N ATOM 1209 CA ASP A 87 17.243 34.382 -2.368 1.00 62.23 C ATOM 1210 C ASP A 87 17.086 35.320 -1.176 1.00 23.25 C ATOM 1211 O ASP A 87 16.052 35.968 -1.014 1.00 31.21 O ATOM 1212 CB ASP A 87 17.321 35.192 -3.663 1.00 61.12 C ATOM 1213 CG ASP A 87 18.329 36.322 -3.580 1.00 32.52 C ATOM 1214 OD1 ASP A 87 19.537 36.030 -3.460 1.00 0.44 O ATOM 1215 OD2 ASP A 87 17.909 37.497 -3.634 1.00 21.32 O ATOM 0 H ASP A 87 15.218 33.861 -2.517 1.00 33.32 H new ATOM 0 HA ASP A 87 18.168 33.819 -2.244 1.00 62.23 H new ATOM 0 HB2 ASP A 87 17.589 34.530 -4.486 1.00 61.12 H new ATOM 0 HB3 ASP A 87 16.337 35.603 -3.891 1.00 61.12 H new ATOM 1220 N PHE A 88 18.119 35.387 -0.342 1.00 20.41 N ATOM 1221 CA PHE A 88 18.095 36.244 0.838 1.00 62.33 C ATOM 1222 C PHE A 88 19.321 37.151 0.875 1.00 4.15 C ATOM 1223 O PHE A 88 20.429 36.733 0.536 1.00 34.01 O ATOM 1224 CB PHE A 88 18.035 35.395 2.110 1.00 42.34 C ATOM 1225 CG PHE A 88 16.708 34.726 2.321 1.00 35.44 C ATOM 1226 CD1 PHE A 88 16.441 33.491 1.753 1.00 70.34 C ATOM 1227 CD2 PHE A 88 15.726 35.331 3.089 1.00 52.51 C ATOM 1228 CE1 PHE A 88 15.220 32.871 1.946 1.00 44.52 C ATOM 1229 CE2 PHE A 88 14.504 34.717 3.286 1.00 74.01 C ATOM 1230 CZ PHE A 88 14.250 33.486 2.713 1.00 41.13 C ATOM 0 H PHE A 88 18.983 34.858 -0.462 1.00 20.41 H new ATOM 0 HA PHE A 88 17.204 36.869 0.785 1.00 62.33 H new ATOM 0 HB2 PHE A 88 18.814 34.634 2.066 1.00 42.34 H new ATOM 0 HB3 PHE A 88 18.255 36.027 2.970 1.00 42.34 H new ATOM 0 HD1 PHE A 88 17.196 33.006 1.152 1.00 70.34 H new ATOM 0 HD2 PHE A 88 15.918 36.294 3.539 1.00 52.51 H new ATOM 0 HE1 PHE A 88 15.025 31.908 1.498 1.00 44.52 H new ATOM 0 HE2 PHE A 88 13.748 35.199 3.888 1.00 74.01 H new ATOM 0 HZ PHE A 88 13.295 33.005 2.865 1.00 41.13 H new ATOM 1240 N LYS A 89 19.116 38.397 1.290 1.00 33.54 N ATOM 1241 CA LYS A 89 20.202 39.365 1.374 1.00 24.11 C ATOM 1242 C LYS A 89 20.244 40.019 2.752 1.00 75.15 C ATOM 1243 O LYS A 89 19.374 40.820 3.096 1.00 44.04 O ATOM 1244 CB LYS A 89 20.042 40.437 0.294 1.00 64.25 C ATOM 1245 CG LYS A 89 20.911 40.201 -0.930 1.00 52.31 C ATOM 1246 CD LYS A 89 22.078 41.173 -0.981 1.00 21.32 C ATOM 1247 CE LYS A 89 21.602 42.609 -1.134 1.00 13.01 C ATOM 1248 NZ LYS A 89 22.458 43.380 -2.078 1.00 33.33 N ATOM 0 H LYS A 89 18.206 38.760 1.574 1.00 33.54 H new ATOM 0 HA LYS A 89 21.141 38.834 1.215 1.00 24.11 H new ATOM 0 HB2 LYS A 89 18.997 40.477 -0.015 1.00 64.25 H new ATOM 0 HB3 LYS A 89 20.286 41.410 0.720 1.00 64.25 H new ATOM 0 HG2 LYS A 89 21.288 39.178 -0.918 1.00 52.31 H new ATOM 0 HG3 LYS A 89 20.308 40.308 -1.832 1.00 52.31 H new ATOM 0 HD2 LYS A 89 22.670 41.080 -0.071 1.00 21.32 H new ATOM 0 HD3 LYS A 89 22.732 40.915 -1.814 1.00 21.32 H new ATOM 0 HE2 LYS A 89 20.572 42.614 -1.491 1.00 13.01 H new ATOM 0 HE3 LYS A 89 21.604 43.098 -0.160 1.00 13.01 H new ATOM 0 HZ1 LYS A 89 22.100 44.354 -2.155 1.00 33.33 H new ATOM 0 HZ2 LYS A 89 23.436 43.397 -1.725 1.00 33.33 H new ATOM 0 HZ3 LYS A 89 22.436 42.928 -3.015 1.00 33.33 H new ATOM 1262 N VAL A 90 21.260 39.673 3.536 1.00 53.23 N ATOM 1263 CA VAL A 90 21.415 40.229 4.875 1.00 64.23 C ATOM 1264 C VAL A 90 22.339 41.442 4.863 1.00 61.55 C ATOM 1265 O VAL A 90 23.470 41.370 4.380 1.00 10.51 O ATOM 1266 CB VAL A 90 21.975 39.181 5.856 1.00 54.15 C ATOM 1267 CG1 VAL A 90 21.846 39.670 7.290 1.00 1.21 C ATOM 1268 CG2 VAL A 90 21.265 37.848 5.672 1.00 12.14 C ATOM 0 H VAL A 90 21.988 39.011 3.267 1.00 53.23 H new ATOM 0 HA VAL A 90 20.423 40.535 5.208 1.00 64.23 H new ATOM 0 HB VAL A 90 23.034 39.036 5.641 1.00 54.15 H new ATOM 0 HG11 VAL A 90 22.247 38.917 7.969 1.00 1.21 H new ATOM 0 HG12 VAL A 90 22.403 40.599 7.409 1.00 1.21 H new ATOM 0 HG13 VAL A 90 20.795 39.845 7.522 1.00 1.21 H new ATOM 0 HG21 VAL A 90 21.672 37.119 6.372 1.00 12.14 H new ATOM 0 HG22 VAL A 90 20.199 37.975 5.860 1.00 12.14 H new ATOM 0 HG23 VAL A 90 21.414 37.494 4.652 1.00 12.14 H new ATOM 1278 N THR A 91 21.850 42.556 5.397 1.00 4.33 N ATOM 1279 CA THR A 91 22.631 43.786 5.448 1.00 62.12 C ATOM 1280 C THR A 91 23.153 44.049 6.856 1.00 73.41 C ATOM 1281 O THR A 91 22.805 43.337 7.798 1.00 3.53 O ATOM 1282 CB THR A 91 21.801 44.998 4.986 1.00 52.13 C ATOM 1283 OG1 THR A 91 20.712 44.562 4.165 1.00 73.52 O ATOM 1284 CG2 THR A 91 22.664 45.982 4.210 1.00 22.34 C ATOM 0 H THR A 91 20.916 42.632 5.801 1.00 4.33 H new ATOM 0 HA THR A 91 23.474 43.653 4.770 1.00 62.12 H new ATOM 0 HB THR A 91 21.411 45.501 5.871 1.00 52.13 H new ATOM 0 HG1 THR A 91 20.188 45.339 3.877 1.00 73.52 H new ATOM 0 HG21 THR A 91 22.055 46.829 3.894 1.00 22.34 H new ATOM 0 HG22 THR A 91 23.475 46.335 4.847 1.00 22.34 H new ATOM 0 HG23 THR A 91 23.080 45.487 3.332 1.00 22.34 H new ATOM 1292 N GLN A 92 23.987 45.074 6.991 1.00 3.11 N ATOM 1293 CA GLN A 92 24.556 45.430 8.286 1.00 62.14 C ATOM 1294 C GLN A 92 23.615 46.346 9.061 1.00 73.51 C ATOM 1295 O GLN A 92 22.696 46.936 8.491 1.00 63.42 O ATOM 1296 CB GLN A 92 25.913 46.112 8.100 1.00 14.41 C ATOM 1297 CG GLN A 92 25.818 47.491 7.467 1.00 2.43 C ATOM 1298 CD GLN A 92 25.948 48.610 8.483 1.00 74.53 C ATOM 1299 OE1 GLN A 92 25.293 48.596 9.526 1.00 70.54 O ATOM 1300 NE2 GLN A 92 26.795 49.587 8.183 1.00 63.31 N ATOM 0 H GLN A 92 24.284 45.673 6.220 1.00 3.11 H new ATOM 0 HA GLN A 92 24.694 44.513 8.859 1.00 62.14 H new ATOM 0 HB2 GLN A 92 26.403 46.199 9.070 1.00 14.41 H new ATOM 0 HB3 GLN A 92 26.547 45.479 7.479 1.00 14.41 H new ATOM 0 HG2 GLN A 92 26.600 47.596 6.715 1.00 2.43 H new ATOM 0 HG3 GLN A 92 24.863 47.584 6.950 1.00 2.43 H new ATOM 0 HE21 GLN A 92 27.317 49.558 7.307 1.00 63.31 H new ATOM 0 HE22 GLN A 92 26.923 50.367 8.828 1.00 63.31 H new