USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 727 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 77 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= -0.355 USER MOD Set 2.1: A 49 SER OG : rot -129:sc= 0.82 USER MOD Set 2.2: A 86 TYR OH : rot 169:sc= -1.18! USER MOD Set 3.1: A 22 THR OG1 : rot -130:sc= -0.493 USER MOD Set 3.2: A 30 LYS NZ :NH3+ 170:sc= 0.145 (180deg=0) USER MOD Set 4.1: A 29 SER OG : rot -115:sc= 0.774 USER MOD Set 4.2: A 73 THR OG1 : rot 171:sc= 0.0354 USER MOD Set 5.1: A 23 ASN : amide:sc= -0.448 K(o=-0.38,f=2.1) USER MOD Set 5.2: A 96 THR OG1 : rot -150:sc= 0.0635 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00673 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.915 X(o=-0.91,f=-0.64) USER MOD Single : A 25 ASN : amide:sc= -3.15 K(o=-3.1,f=-1) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.69 K(o=-2.7,f=-0.65) USER MOD Single : A 37 THR OG1 : rot 179:sc= -0.502 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 105:sc= -1.6 USER MOD Single : A 48 SER OG : rot 180:sc= -0.669 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 39:sc= 1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0946 USER MOD Single : A 59 GLN : amide:sc= -2.62 K(o=-2.6,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -56:sc= 0.0356 USER MOD Single : A 64 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.8) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0505 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 29.662 22.073 12.740 1.00 34.44 N ATOM 2 CA GLU A 1 28.610 21.951 11.738 1.00 34.30 C ATOM 3 C GLU A 1 28.617 20.561 11.108 1.00 35.33 C ATOM 4 O GLU A 1 29.368 20.296 10.171 1.00 51.42 O ATOM 5 CB GLU A 1 28.783 23.015 10.653 1.00 50.24 C ATOM 6 CG GLU A 1 28.333 24.402 11.082 1.00 23.54 C ATOM 7 CD GLU A 1 27.157 24.910 10.272 1.00 12.43 C ATOM 8 OE1 GLU A 1 27.310 25.080 9.045 1.00 72.22 O ATOM 9 OE2 GLU A 1 26.082 25.139 10.867 1.00 65.01 O ATOM 0 H1 GLU A 1 29.638 23.026 13.155 1.00 34.44 H new ATOM 0 H2 GLU A 1 29.512 21.366 13.488 1.00 34.44 H new ATOM 0 H3 GLU A 1 30.587 21.913 12.293 1.00 34.44 H new ATOM 0 HA GLU A 1 27.651 22.101 12.235 1.00 34.30 H new ATOM 0 HB2 GLU A 1 29.832 23.057 10.361 1.00 50.24 H new ATOM 0 HB3 GLU A 1 28.218 22.716 9.770 1.00 50.24 H new ATOM 0 HG2 GLU A 1 28.061 24.381 12.137 1.00 23.54 H new ATOM 0 HG3 GLU A 1 29.166 25.098 10.981 1.00 23.54 H new ATOM 16 N ASN A 2 27.774 19.676 11.632 1.00 40.11 N ATOM 17 CA ASN A 2 27.683 18.313 11.122 1.00 23.44 C ATOM 18 C ASN A 2 26.952 18.280 9.784 1.00 64.44 C ATOM 19 O ASN A 2 27.276 17.477 8.908 1.00 45.02 O ATOM 20 CB ASN A 2 26.963 17.416 12.132 1.00 63.25 C ATOM 21 CG ASN A 2 27.864 16.993 13.276 1.00 44.43 C ATOM 22 OD1 ASN A 2 28.851 17.662 13.583 1.00 42.31 O ATOM 23 ND2 ASN A 2 27.528 15.878 13.913 1.00 62.44 N ATOM 0 H ASN A 2 27.145 19.879 12.409 1.00 40.11 H new ATOM 0 HA ASN A 2 28.696 17.940 10.971 1.00 23.44 H new ATOM 0 HB2 ASN A 2 26.098 17.945 12.531 1.00 63.25 H new ATOM 0 HB3 ASN A 2 26.587 16.529 11.622 1.00 63.25 H new ATOM 0 HD21 ASN A 2 28.097 15.544 14.691 1.00 62.44 H new ATOM 0 HD22 ASN A 2 26.701 15.355 13.624 1.00 62.44 H new ATOM 30 N ILE A 3 25.966 19.157 9.633 1.00 70.14 N ATOM 31 CA ILE A 3 25.191 19.229 8.400 1.00 13.34 C ATOM 32 C ILE A 3 24.284 18.013 8.249 1.00 32.33 C ATOM 33 O ILE A 3 23.063 18.118 8.365 1.00 33.32 O ATOM 34 CB ILE A 3 26.105 19.331 7.165 1.00 31.32 C ATOM 35 CG1 ILE A 3 27.213 20.358 7.407 1.00 52.05 C ATOM 36 CG2 ILE A 3 25.292 19.700 5.933 1.00 31.14 C ATOM 37 CD1 ILE A 3 28.156 20.516 6.235 1.00 64.42 C ATOM 0 H ILE A 3 25.685 19.827 10.348 1.00 70.14 H new ATOM 0 HA ILE A 3 24.580 20.129 8.464 1.00 13.34 H new ATOM 0 HB ILE A 3 26.568 18.359 6.992 1.00 31.32 H new ATOM 0 HG12 ILE A 3 26.760 21.324 7.631 1.00 52.05 H new ATOM 0 HG13 ILE A 3 27.785 20.063 8.286 1.00 52.05 H new ATOM 0 HG21 ILE A 3 25.952 19.768 5.068 1.00 31.14 H new ATOM 0 HG22 ILE A 3 24.536 18.935 5.753 1.00 31.14 H new ATOM 0 HG23 ILE A 3 24.804 20.661 6.094 1.00 31.14 H new ATOM 0 HD11 ILE A 3 28.916 21.259 6.477 1.00 64.42 H new ATOM 0 HD12 ILE A 3 28.637 19.561 6.024 1.00 64.42 H new ATOM 0 HD13 ILE A 3 27.596 20.842 5.359 1.00 64.42 H new ATOM 49 N ASP A 4 24.889 16.859 7.992 1.00 65.24 N ATOM 50 CA ASP A 4 24.137 15.620 7.828 1.00 41.45 C ATOM 51 C ASP A 4 24.265 14.739 9.066 1.00 64.53 C ATOM 52 O ASP A 4 25.370 14.365 9.462 1.00 11.31 O ATOM 53 CB ASP A 4 24.626 14.861 6.593 1.00 51.52 C ATOM 54 CG ASP A 4 23.488 14.236 5.810 1.00 24.40 C ATOM 55 OD1 ASP A 4 22.943 14.912 4.914 1.00 53.41 O ATOM 56 OD2 ASP A 4 23.143 13.069 6.094 1.00 3.32 O ATOM 0 H ASP A 4 25.899 16.755 7.893 1.00 65.24 H new ATOM 0 HA ASP A 4 23.086 15.877 7.694 1.00 41.45 H new ATOM 0 HB2 ASP A 4 25.177 15.543 5.946 1.00 51.52 H new ATOM 0 HB3 ASP A 4 25.322 14.081 6.901 1.00 51.52 H new ATOM 61 N ILE A 5 23.130 14.410 9.672 1.00 14.42 N ATOM 62 CA ILE A 5 23.116 13.573 10.865 1.00 35.21 C ATOM 63 C ILE A 5 22.638 12.162 10.540 1.00 35.42 C ATOM 64 O ILE A 5 23.197 11.177 11.024 1.00 1.13 O ATOM 65 CB ILE A 5 22.213 14.169 11.961 1.00 14.00 C ATOM 66 CG1 ILE A 5 22.645 15.600 12.286 1.00 4.13 C ATOM 67 CG2 ILE A 5 22.252 13.301 13.210 1.00 51.11 C ATOM 68 CD1 ILE A 5 24.074 15.703 12.774 1.00 53.33 C ATOM 0 H ILE A 5 22.208 14.710 9.357 1.00 14.42 H new ATOM 0 HA ILE A 5 24.141 13.532 11.234 1.00 35.21 H new ATOM 0 HB ILE A 5 21.188 14.194 11.592 1.00 14.00 H new ATOM 0 HG12 ILE A 5 22.528 16.218 11.395 1.00 4.13 H new ATOM 0 HG13 ILE A 5 21.979 16.008 13.047 1.00 4.13 H new ATOM 0 HG21 ILE A 5 21.609 13.736 13.975 1.00 51.11 H new ATOM 0 HG22 ILE A 5 21.901 12.298 12.967 1.00 51.11 H new ATOM 0 HG23 ILE A 5 23.275 13.247 13.584 1.00 51.11 H new ATOM 0 HD11 ILE A 5 24.312 16.745 12.985 1.00 53.33 H new ATOM 0 HD12 ILE A 5 24.192 15.113 13.683 1.00 53.33 H new ATOM 0 HD13 ILE A 5 24.749 15.325 12.006 1.00 53.33 H new ATOM 80 N THR A 6 21.599 12.070 9.715 1.00 20.42 N ATOM 81 CA THR A 6 21.045 10.779 9.324 1.00 5.34 C ATOM 82 C THR A 6 20.337 10.870 7.978 1.00 54.31 C ATOM 83 O THR A 6 19.834 11.928 7.600 1.00 54.50 O ATOM 84 CB THR A 6 20.055 10.250 10.379 1.00 53.44 C ATOM 85 OG1 THR A 6 20.228 10.957 11.612 1.00 41.22 O ATOM 86 CG2 THR A 6 20.255 8.760 10.610 1.00 51.22 C ATOM 0 H THR A 6 21.124 12.874 9.305 1.00 20.42 H new ATOM 0 HA THR A 6 21.883 10.086 9.244 1.00 5.34 H new ATOM 0 HB THR A 6 19.043 10.411 10.008 1.00 53.44 H new ATOM 0 HG1 THR A 6 19.594 10.616 12.277 1.00 41.22 H new ATOM 0 HG21 THR A 6 19.545 8.409 11.359 1.00 51.22 H new ATOM 0 HG22 THR A 6 20.093 8.222 9.676 1.00 51.22 H new ATOM 0 HG23 THR A 6 21.271 8.579 10.961 1.00 51.22 H new ATOM 94 N VAL A 7 20.299 9.754 7.257 1.00 24.12 N ATOM 95 CA VAL A 7 19.650 9.707 5.953 1.00 51.43 C ATOM 96 C VAL A 7 18.634 8.573 5.885 1.00 54.11 C ATOM 97 O VAL A 7 19.001 7.400 5.824 1.00 34.23 O ATOM 98 CB VAL A 7 20.678 9.529 4.820 1.00 42.01 C ATOM 99 CG1 VAL A 7 19.981 9.483 3.469 1.00 65.15 C ATOM 100 CG2 VAL A 7 21.712 10.645 4.858 1.00 34.34 C ATOM 0 H VAL A 7 20.711 8.870 7.555 1.00 24.12 H new ATOM 0 HA VAL A 7 19.136 10.659 5.821 1.00 51.43 H new ATOM 0 HB VAL A 7 21.195 8.581 4.968 1.00 42.01 H new ATOM 0 HG11 VAL A 7 20.723 9.357 2.681 1.00 65.15 H new ATOM 0 HG12 VAL A 7 19.283 8.646 3.448 1.00 65.15 H new ATOM 0 HG13 VAL A 7 19.436 10.413 3.309 1.00 65.15 H new ATOM 0 HG21 VAL A 7 22.430 10.503 4.051 1.00 34.34 H new ATOM 0 HG22 VAL A 7 21.214 11.607 4.736 1.00 34.34 H new ATOM 0 HG23 VAL A 7 22.233 10.625 5.815 1.00 34.34 H new ATOM 110 N SER A 8 17.354 8.931 5.895 1.00 14.42 N ATOM 111 CA SER A 8 16.283 7.943 5.838 1.00 13.31 C ATOM 112 C SER A 8 15.110 8.460 5.011 1.00 52.42 C ATOM 113 O SER A 8 13.950 8.301 5.390 1.00 22.14 O ATOM 114 CB SER A 8 15.810 7.591 7.250 1.00 73.23 C ATOM 115 OG SER A 8 16.865 7.041 8.019 1.00 42.11 O ATOM 0 H SER A 8 17.033 9.898 5.942 1.00 14.42 H new ATOM 0 HA SER A 8 16.675 7.046 5.359 1.00 13.31 H new ATOM 0 HB2 SER A 8 15.425 8.485 7.741 1.00 73.23 H new ATOM 0 HB3 SER A 8 14.987 6.879 7.194 1.00 73.23 H new ATOM 0 HG SER A 8 16.537 6.826 8.917 1.00 42.11 H new ATOM 121 N ALA A 9 15.421 9.081 3.878 1.00 64.04 N ATOM 122 CA ALA A 9 14.395 9.620 2.995 1.00 54.23 C ATOM 123 C ALA A 9 13.568 10.688 3.702 1.00 12.53 C ATOM 124 O ALA A 9 12.343 10.715 3.588 1.00 12.24 O ATOM 125 CB ALA A 9 13.494 8.503 2.488 1.00 45.11 C ATOM 0 H ALA A 9 16.376 9.223 3.550 1.00 64.04 H new ATOM 0 HA ALA A 9 14.892 10.086 2.144 1.00 54.23 H new ATOM 0 HB1 ALA A 9 12.732 8.921 1.830 1.00 45.11 H new ATOM 0 HB2 ALA A 9 14.091 7.776 1.937 1.00 45.11 H new ATOM 0 HB3 ALA A 9 13.013 8.012 3.334 1.00 45.11 H new ATOM 131 N ALA A 10 14.246 11.567 4.434 1.00 71.14 N ATOM 132 CA ALA A 10 13.574 12.638 5.159 1.00 74.13 C ATOM 133 C ALA A 10 13.730 13.972 4.437 1.00 70.03 C ATOM 134 O ALA A 10 14.770 14.248 3.838 1.00 3.43 O ATOM 135 CB ALA A 10 14.116 12.736 6.577 1.00 52.41 C ATOM 0 H ALA A 10 15.260 11.558 4.540 1.00 71.14 H new ATOM 0 HA ALA A 10 12.511 12.402 5.204 1.00 74.13 H new ATOM 0 HB1 ALA A 10 13.605 13.540 7.107 1.00 52.41 H new ATOM 0 HB2 ALA A 10 13.946 11.793 7.097 1.00 52.41 H new ATOM 0 HB3 ALA A 10 15.185 12.945 6.544 1.00 52.41 H new ATOM 141 N THR A 11 12.689 14.797 4.496 1.00 42.24 N ATOM 142 CA THR A 11 12.710 16.102 3.846 1.00 63.51 C ATOM 143 C THR A 11 11.975 17.144 4.681 1.00 73.54 C ATOM 144 O THR A 11 11.178 17.924 4.157 1.00 23.01 O ATOM 145 CB THR A 11 12.075 16.041 2.444 1.00 14.31 C ATOM 146 OG1 THR A 11 12.509 14.861 1.760 1.00 70.14 O ATOM 147 CG2 THR A 11 12.444 17.271 1.629 1.00 43.40 C ATOM 0 H THR A 11 11.821 14.585 4.987 1.00 42.24 H new ATOM 0 HA THR A 11 13.757 16.391 3.750 1.00 63.51 H new ATOM 0 HB THR A 11 10.992 16.014 2.561 1.00 14.31 H new ATOM 0 HG1 THR A 11 12.099 14.829 0.870 1.00 70.14 H new ATOM 0 HG21 THR A 11 11.984 17.205 0.643 1.00 43.40 H new ATOM 0 HG22 THR A 11 12.085 18.166 2.138 1.00 43.40 H new ATOM 0 HG23 THR A 11 13.527 17.325 1.521 1.00 43.40 H new ATOM 155 N LEU A 12 12.246 17.152 5.981 1.00 61.10 N ATOM 156 CA LEU A 12 11.610 18.100 6.889 1.00 31.12 C ATOM 157 C LEU A 12 12.490 19.328 7.098 1.00 54.32 C ATOM 158 O LEU A 12 13.613 19.223 7.589 1.00 3.34 O ATOM 159 CB LEU A 12 11.320 17.432 8.234 1.00 22.44 C ATOM 160 CG LEU A 12 9.956 16.754 8.367 1.00 61.40 C ATOM 161 CD1 LEU A 12 8.836 17.763 8.168 1.00 44.33 C ATOM 162 CD2 LEU A 12 9.830 15.611 7.370 1.00 34.54 C ATOM 0 H LEU A 12 12.902 16.513 6.430 1.00 61.10 H new ATOM 0 HA LEU A 12 10.670 18.421 6.439 1.00 31.12 H new ATOM 0 HB2 LEU A 12 12.093 16.687 8.421 1.00 22.44 H new ATOM 0 HB3 LEU A 12 11.407 18.185 9.017 1.00 22.44 H new ATOM 0 HG LEU A 12 9.872 16.344 9.373 1.00 61.40 H new ATOM 0 HD11 LEU A 12 7.873 17.262 8.266 1.00 44.33 H new ATOM 0 HD12 LEU A 12 8.915 18.548 8.920 1.00 44.33 H new ATOM 0 HD13 LEU A 12 8.916 18.204 7.174 1.00 44.33 H new ATOM 0 HD21 LEU A 12 8.853 15.140 7.478 1.00 34.54 H new ATOM 0 HD22 LEU A 12 9.935 15.999 6.357 1.00 34.54 H new ATOM 0 HD23 LEU A 12 10.611 14.875 7.560 1.00 34.54 H new ATOM 174 N SER A 13 11.970 20.493 6.723 1.00 72.33 N ATOM 175 CA SER A 13 12.708 21.742 6.867 1.00 24.31 C ATOM 176 C SER A 13 12.070 22.631 7.930 1.00 20.41 C ATOM 177 O SER A 13 12.759 23.191 8.782 1.00 44.41 O ATOM 178 CB SER A 13 12.763 22.484 5.531 1.00 53.24 C ATOM 179 OG SER A 13 13.653 23.585 5.595 1.00 52.05 O ATOM 0 H SER A 13 11.040 20.597 6.317 1.00 72.33 H new ATOM 0 HA SER A 13 13.723 21.501 7.182 1.00 24.31 H new ATOM 0 HB2 SER A 13 13.082 21.800 4.744 1.00 53.24 H new ATOM 0 HB3 SER A 13 11.766 22.834 5.264 1.00 53.24 H new ATOM 0 HG SER A 13 13.671 24.042 4.728 1.00 52.05 H new ATOM 185 N SER A 14 10.748 22.754 7.873 1.00 52.10 N ATOM 186 CA SER A 14 10.015 23.578 8.828 1.00 61.53 C ATOM 187 C SER A 14 8.685 22.928 9.197 1.00 21.32 C ATOM 188 O SER A 14 8.092 22.205 8.396 1.00 34.34 O ATOM 189 CB SER A 14 9.771 24.972 8.248 1.00 14.23 C ATOM 190 OG SER A 14 9.692 25.945 9.276 1.00 63.21 O ATOM 0 H SER A 14 10.162 22.294 7.176 1.00 52.10 H new ATOM 0 HA SER A 14 10.618 23.669 9.731 1.00 61.53 H new ATOM 0 HB2 SER A 14 10.577 25.229 7.560 1.00 14.23 H new ATOM 0 HB3 SER A 14 8.847 24.972 7.671 1.00 14.23 H new ATOM 0 HG SER A 14 9.537 26.828 8.880 1.00 63.21 H new ATOM 196 N ILE A 15 8.224 23.191 10.415 1.00 34.41 N ATOM 197 CA ILE A 15 6.964 22.633 10.891 1.00 31.21 C ATOM 198 C ILE A 15 6.253 23.602 11.829 1.00 10.31 C ATOM 199 O ILE A 15 6.890 24.289 12.628 1.00 51.34 O ATOM 200 CB ILE A 15 7.181 21.295 11.622 1.00 22.23 C ATOM 201 CG1 ILE A 15 7.868 20.288 10.697 1.00 52.44 C ATOM 202 CG2 ILE A 15 5.855 20.743 12.123 1.00 55.15 C ATOM 203 CD1 ILE A 15 8.045 18.920 11.317 1.00 51.21 C ATOM 0 H ILE A 15 8.704 23.787 11.090 1.00 34.41 H new ATOM 0 HA ILE A 15 6.343 22.461 10.012 1.00 31.21 H new ATOM 0 HB ILE A 15 7.828 21.469 12.482 1.00 22.23 H new ATOM 0 HG12 ILE A 15 7.284 20.190 9.782 1.00 52.44 H new ATOM 0 HG13 ILE A 15 8.845 20.677 10.411 1.00 52.44 H new ATOM 0 HG21 ILE A 15 6.026 19.797 12.637 1.00 55.15 H new ATOM 0 HG22 ILE A 15 5.402 21.455 12.813 1.00 55.15 H new ATOM 0 HG23 ILE A 15 5.186 20.581 11.278 1.00 55.15 H new ATOM 0 HD11 ILE A 15 8.538 18.259 10.605 1.00 51.21 H new ATOM 0 HD12 ILE A 15 8.655 19.004 12.216 1.00 51.21 H new ATOM 0 HD13 ILE A 15 7.069 18.510 11.577 1.00 51.21 H new ATOM 215 N SER A 16 4.929 23.651 11.728 1.00 55.20 N ATOM 216 CA SER A 16 4.130 24.538 12.566 1.00 1.01 C ATOM 217 C SER A 16 3.292 23.738 13.559 1.00 54.34 C ATOM 218 O SER A 16 2.550 22.834 13.174 1.00 62.42 O ATOM 219 CB SER A 16 3.220 25.411 11.700 1.00 44.14 C ATOM 220 OG SER A 16 3.573 26.779 11.808 1.00 52.41 O ATOM 0 H SER A 16 4.386 23.087 11.074 1.00 55.20 H new ATOM 0 HA SER A 16 4.811 25.179 13.125 1.00 1.01 H new ATOM 0 HB2 SER A 16 3.291 25.095 10.659 1.00 44.14 H new ATOM 0 HB3 SER A 16 2.182 25.275 12.005 1.00 44.14 H new ATOM 0 HG SER A 16 2.978 27.316 11.244 1.00 52.41 H new ATOM 226 N ILE A 17 3.415 24.079 14.837 1.00 70.01 N ATOM 227 CA ILE A 17 2.668 23.394 15.885 1.00 44.31 C ATOM 228 C ILE A 17 1.805 24.373 16.674 1.00 24.11 C ATOM 229 O ILE A 17 2.214 25.503 16.938 1.00 3.55 O ATOM 230 CB ILE A 17 3.609 22.658 16.857 1.00 60.42 C ATOM 231 CG1 ILE A 17 4.676 21.883 16.080 1.00 54.01 C ATOM 232 CG2 ILE A 17 2.815 21.721 17.755 1.00 71.34 C ATOM 233 CD1 ILE A 17 5.979 22.635 15.930 1.00 44.21 C ATOM 0 H ILE A 17 4.025 24.825 15.172 1.00 70.01 H new ATOM 0 HA ILE A 17 2.026 22.665 15.391 1.00 44.31 H new ATOM 0 HB ILE A 17 4.108 23.396 17.485 1.00 60.42 H new ATOM 0 HG12 ILE A 17 4.868 20.937 16.587 1.00 54.01 H new ATOM 0 HG13 ILE A 17 4.289 21.641 15.090 1.00 54.01 H new ATOM 0 HG21 ILE A 17 3.494 21.208 18.436 1.00 71.34 H new ATOM 0 HG22 ILE A 17 2.090 22.296 18.330 1.00 71.34 H new ATOM 0 HG23 ILE A 17 2.292 20.986 17.143 1.00 71.34 H new ATOM 0 HD11 ILE A 17 6.688 22.026 15.369 1.00 44.21 H new ATOM 0 HD12 ILE A 17 5.801 23.568 15.396 1.00 44.21 H new ATOM 0 HD13 ILE A 17 6.389 22.853 16.916 1.00 44.21 H new ATOM 245 N SER A 18 0.610 23.930 17.049 1.00 33.33 N ATOM 246 CA SER A 18 -0.313 24.767 17.807 1.00 4.02 C ATOM 247 C SER A 18 -0.867 24.012 19.012 1.00 45.40 C ATOM 248 O SER A 18 -2.039 23.638 19.057 1.00 5.01 O ATOM 249 CB SER A 18 -1.462 25.236 16.913 1.00 63.15 C ATOM 250 OG SER A 18 -1.028 25.408 15.574 1.00 15.03 O ATOM 0 H SER A 18 0.258 22.996 16.840 1.00 33.33 H new ATOM 0 HA SER A 18 0.237 25.637 18.166 1.00 4.02 H new ATOM 0 HB2 SER A 18 -2.273 24.508 16.945 1.00 63.15 H new ATOM 0 HB3 SER A 18 -1.862 26.176 17.293 1.00 63.15 H new ATOM 0 HG SER A 18 -1.781 25.706 15.022 1.00 15.03 H new ATOM 256 N PRO A 19 -0.004 23.783 20.013 1.00 2.01 N ATOM 257 CA PRO A 19 -0.383 23.072 21.238 1.00 71.14 C ATOM 258 C PRO A 19 -1.332 23.886 22.111 1.00 45.23 C ATOM 259 O PRO A 19 -1.481 25.094 21.922 1.00 24.14 O ATOM 260 CB PRO A 19 0.953 22.860 21.953 1.00 4.01 C ATOM 261 CG PRO A 19 1.831 23.953 21.449 1.00 54.42 C ATOM 262 CD PRO A 19 1.408 24.201 20.027 1.00 62.20 C ATOM 0 HA PRO A 19 -0.918 22.147 21.023 1.00 71.14 H new ATOM 0 HB2 PRO A 19 0.836 22.914 23.035 1.00 4.01 H new ATOM 0 HB3 PRO A 19 1.372 21.880 21.726 1.00 4.01 H new ATOM 0 HG2 PRO A 19 1.718 24.854 22.052 1.00 54.42 H new ATOM 0 HG3 PRO A 19 2.881 23.665 21.499 1.00 54.42 H new ATOM 0 HD2 PRO A 19 1.519 25.250 19.752 1.00 62.20 H new ATOM 0 HD3 PRO A 19 2.006 23.622 19.323 1.00 62.20 H new ATOM 270 N ILE A 20 -1.970 23.218 23.066 1.00 42.14 N ATOM 271 CA ILE A 20 -2.902 23.881 23.968 1.00 14.24 C ATOM 272 C ILE A 20 -2.688 23.429 25.409 1.00 14.30 C ATOM 273 O ILE A 20 -2.633 22.234 25.693 1.00 31.33 O ATOM 274 CB ILE A 20 -4.364 23.608 23.568 1.00 32.52 C ATOM 275 CG1 ILE A 20 -5.319 24.373 24.487 1.00 72.15 C ATOM 276 CG2 ILE A 20 -4.656 22.115 23.617 1.00 52.22 C ATOM 277 CD1 ILE A 20 -6.574 24.851 23.790 1.00 30.21 C ATOM 0 H ILE A 20 -1.858 22.218 23.235 1.00 42.14 H new ATOM 0 HA ILE A 20 -2.707 24.951 23.892 1.00 14.24 H new ATOM 0 HB ILE A 20 -4.517 23.956 22.546 1.00 32.52 H new ATOM 0 HG12 ILE A 20 -5.599 23.731 25.322 1.00 72.15 H new ATOM 0 HG13 ILE A 20 -4.796 25.232 24.907 1.00 72.15 H new ATOM 0 HG21 ILE A 20 -5.693 21.938 23.332 1.00 52.22 H new ATOM 0 HG22 ILE A 20 -3.995 21.592 22.926 1.00 52.22 H new ATOM 0 HG23 ILE A 20 -4.489 21.745 24.629 1.00 52.22 H new ATOM 0 HD11 ILE A 20 -7.204 25.385 24.501 1.00 30.21 H new ATOM 0 HD12 ILE A 20 -6.304 25.519 22.972 1.00 30.21 H new ATOM 0 HD13 ILE A 20 -7.119 23.994 23.394 1.00 30.21 H new ATOM 289 N ASN A 21 -2.570 24.395 26.315 1.00 74.41 N ATOM 290 CA ASN A 21 -2.364 24.096 27.727 1.00 2.14 C ATOM 291 C ASN A 21 -3.688 24.104 28.484 1.00 34.34 C ATOM 292 O ASN A 21 -4.241 25.163 28.782 1.00 4.44 O ATOM 293 CB ASN A 21 -1.402 25.111 28.349 1.00 34.03 C ATOM 294 CG ASN A 21 -1.736 26.538 27.958 1.00 24.23 C ATOM 295 OD1 ASN A 21 -2.451 27.238 28.674 1.00 14.41 O ATOM 296 ND2 ASN A 21 -1.216 26.975 26.817 1.00 74.12 N ATOM 0 H ASN A 21 -2.614 25.390 26.096 1.00 74.41 H new ATOM 0 HA ASN A 21 -1.929 23.099 27.802 1.00 2.14 H new ATOM 0 HB2 ASN A 21 -1.432 25.018 29.435 1.00 34.03 H new ATOM 0 HB3 ASN A 21 -0.383 24.881 28.037 1.00 34.03 H new ATOM 0 HD21 ASN A 21 -1.404 27.927 26.502 1.00 74.12 H new ATOM 0 HD22 ASN A 21 -0.628 26.359 26.255 1.00 74.12 H new ATOM 303 N THR A 22 -4.194 22.914 28.794 1.00 61.42 N ATOM 304 CA THR A 22 -5.453 22.782 29.515 1.00 13.23 C ATOM 305 C THR A 22 -5.317 21.819 30.689 1.00 62.01 C ATOM 306 O THR A 22 -4.413 20.985 30.718 1.00 43.34 O ATOM 307 CB THR A 22 -6.582 22.290 28.590 1.00 31.51 C ATOM 308 OG1 THR A 22 -6.305 22.666 27.236 1.00 32.45 O ATOM 309 CG2 THR A 22 -7.923 22.866 29.018 1.00 51.40 C ATOM 0 H THR A 22 -3.750 22.027 28.556 1.00 61.42 H new ATOM 0 HA THR A 22 -5.707 23.773 29.890 1.00 13.23 H new ATOM 0 HB THR A 22 -6.633 21.204 28.662 1.00 31.51 H new ATOM 0 HG1 THR A 22 -7.094 23.101 26.849 1.00 32.45 H new ATOM 0 HG21 THR A 22 -8.704 22.504 28.350 1.00 51.40 H new ATOM 0 HG22 THR A 22 -8.144 22.553 30.038 1.00 51.40 H new ATOM 0 HG23 THR A 22 -7.883 23.954 28.973 1.00 51.40 H new ATOM 317 N ASN A 23 -6.221 21.939 31.655 1.00 12.24 N ATOM 318 CA ASN A 23 -6.201 21.078 32.832 1.00 12.02 C ATOM 319 C ASN A 23 -7.311 20.033 32.761 1.00 43.32 C ATOM 320 O ASN A 23 -8.436 20.335 32.361 1.00 21.33 O ATOM 321 CB ASN A 23 -6.354 21.914 34.104 1.00 2.24 C ATOM 322 CG ASN A 23 -5.663 23.260 33.998 1.00 24.22 C ATOM 323 OD1 ASN A 23 -6.228 24.291 34.362 1.00 51.11 O ATOM 324 ND2 ASN A 23 -4.433 23.255 33.498 1.00 44.14 N ATOM 0 H ASN A 23 -6.977 22.624 31.646 1.00 12.24 H new ATOM 0 HA ASN A 23 -5.241 20.562 32.857 1.00 12.02 H new ATOM 0 HB2 ASN A 23 -7.413 22.068 34.309 1.00 2.24 H new ATOM 0 HB3 ASN A 23 -5.942 21.363 34.949 1.00 2.24 H new ATOM 0 HD21 ASN A 23 -3.918 24.130 33.403 1.00 44.14 H new ATOM 0 HD22 ASN A 23 -4.004 22.376 33.209 1.00 44.14 H new ATOM 331 N ILE A 24 -6.986 18.805 33.151 1.00 43.50 N ATOM 332 CA ILE A 24 -7.955 17.717 33.133 1.00 50.02 C ATOM 333 C ILE A 24 -7.818 16.838 34.372 1.00 51.35 C ATOM 334 O ILE A 24 -6.752 16.770 34.982 1.00 70.25 O ATOM 335 CB ILE A 24 -7.795 16.842 31.876 1.00 61.51 C ATOM 336 CG1 ILE A 24 -6.463 16.090 31.917 1.00 4.43 C ATOM 337 CG2 ILE A 24 -7.889 17.695 30.620 1.00 11.42 C ATOM 338 CD1 ILE A 24 -6.600 14.637 32.314 1.00 12.34 C ATOM 0 H ILE A 24 -6.059 18.539 33.483 1.00 43.50 H new ATOM 0 HA ILE A 24 -8.944 18.175 33.123 1.00 50.02 H new ATOM 0 HB ILE A 24 -8.603 16.111 31.856 1.00 61.51 H new ATOM 0 HG12 ILE A 24 -5.993 16.147 30.935 1.00 4.43 H new ATOM 0 HG13 ILE A 24 -5.795 16.589 32.620 1.00 4.43 H new ATOM 0 HG21 ILE A 24 -7.774 17.062 29.740 1.00 11.42 H new ATOM 0 HG22 ILE A 24 -8.860 18.188 30.587 1.00 11.42 H new ATOM 0 HG23 ILE A 24 -7.100 18.447 30.631 1.00 11.42 H new ATOM 0 HD11 ILE A 24 -5.616 14.168 32.322 1.00 12.34 H new ATOM 0 HD12 ILE A 24 -7.041 14.572 33.309 1.00 12.34 H new ATOM 0 HD13 ILE A 24 -7.242 14.123 31.598 1.00 12.34 H new ATOM 350 N ASN A 25 -8.905 16.166 34.736 1.00 30.05 N ATOM 351 CA ASN A 25 -8.906 15.290 35.902 1.00 32.42 C ATOM 352 C ASN A 25 -9.519 13.934 35.563 1.00 14.43 C ATOM 353 O ASN A 25 -10.191 13.781 34.542 1.00 2.43 O ATOM 354 CB ASN A 25 -9.679 15.938 37.053 1.00 45.01 C ATOM 355 CG ASN A 25 -9.570 15.146 38.341 1.00 25.33 C ATOM 356 OD1 ASN A 25 -10.570 14.884 39.009 1.00 53.40 O ATOM 357 ND2 ASN A 25 -8.350 14.759 38.697 1.00 43.33 N ATOM 0 H ASN A 25 -9.796 16.211 34.241 1.00 30.05 H new ATOM 0 HA ASN A 25 -7.872 15.135 36.210 1.00 32.42 H new ATOM 0 HB2 ASN A 25 -9.302 16.947 37.217 1.00 45.01 H new ATOM 0 HB3 ASN A 25 -10.729 16.031 36.775 1.00 45.01 H new ATOM 0 HD21 ASN A 25 -8.215 14.223 39.554 1.00 43.33 H new ATOM 0 HD22 ASN A 25 -7.548 14.998 38.113 1.00 43.33 H new ATOM 364 N THR A 26 -9.285 12.952 36.428 1.00 65.25 N ATOM 365 CA THR A 26 -9.813 11.609 36.220 1.00 4.35 C ATOM 366 C THR A 26 -9.074 10.895 35.094 1.00 3.53 C ATOM 367 O THR A 26 -8.316 9.954 35.333 1.00 54.13 O ATOM 368 CB THR A 26 -11.317 11.642 35.892 1.00 32.13 C ATOM 369 OG1 THR A 26 -11.972 12.633 36.692 1.00 22.33 O ATOM 370 CG2 THR A 26 -11.954 10.282 36.138 1.00 52.50 C ATOM 0 H THR A 26 -8.733 13.061 37.279 1.00 65.25 H new ATOM 0 HA THR A 26 -9.663 11.063 37.151 1.00 4.35 H new ATOM 0 HB THR A 26 -11.431 11.894 34.838 1.00 32.13 H new ATOM 0 HG1 THR A 26 -12.928 12.649 36.476 1.00 22.33 H new ATOM 0 HG21 THR A 26 -13.017 10.329 35.900 1.00 52.50 H new ATOM 0 HG22 THR A 26 -11.473 9.535 35.506 1.00 52.50 H new ATOM 0 HG23 THR A 26 -11.829 10.006 37.185 1.00 52.50 H new ATOM 378 N THR A 27 -9.298 11.349 33.865 1.00 45.32 N ATOM 379 CA THR A 27 -8.653 10.754 32.701 1.00 33.32 C ATOM 380 C THR A 27 -9.130 11.413 31.412 1.00 65.53 C ATOM 381 O THR A 27 -10.252 11.180 30.962 1.00 45.15 O ATOM 382 CB THR A 27 -8.926 9.240 32.622 1.00 63.33 C ATOM 383 OG1 THR A 27 -8.523 8.736 31.343 1.00 30.12 O ATOM 384 CG2 THR A 27 -10.400 8.943 32.848 1.00 33.40 C ATOM 0 H THR A 27 -9.921 12.127 33.650 1.00 45.32 H new ATOM 0 HA THR A 27 -7.581 10.918 32.814 1.00 33.32 H new ATOM 0 HB THR A 27 -8.349 8.748 33.405 1.00 63.33 H new ATOM 0 HG1 THR A 27 -8.698 7.773 31.301 1.00 30.12 H new ATOM 0 HG21 THR A 27 -10.568 7.868 32.787 1.00 33.40 H new ATOM 0 HG22 THR A 27 -10.696 9.302 33.834 1.00 33.40 H new ATOM 0 HG23 THR A 27 -10.994 9.446 32.085 1.00 33.40 H new ATOM 392 N VAL A 28 -8.269 12.236 30.820 1.00 33.43 N ATOM 393 CA VAL A 28 -8.602 12.927 29.581 1.00 42.15 C ATOM 394 C VAL A 28 -7.369 13.099 28.700 1.00 54.42 C ATOM 395 O VAL A 28 -6.247 13.196 29.197 1.00 54.14 O ATOM 396 CB VAL A 28 -9.219 14.311 29.858 1.00 62.13 C ATOM 397 CG1 VAL A 28 -9.749 14.926 28.572 1.00 53.40 C ATOM 398 CG2 VAL A 28 -10.320 14.203 30.901 1.00 14.22 C ATOM 0 H VAL A 28 -7.336 12.440 31.179 1.00 33.43 H new ATOM 0 HA VAL A 28 -9.334 12.309 29.061 1.00 42.15 H new ATOM 0 HB VAL A 28 -8.441 14.965 30.251 1.00 62.13 H new ATOM 0 HG11 VAL A 28 -10.181 15.903 28.787 1.00 53.40 H new ATOM 0 HG12 VAL A 28 -8.932 15.039 27.859 1.00 53.40 H new ATOM 0 HG13 VAL A 28 -10.514 14.277 28.147 1.00 53.40 H new ATOM 0 HG21 VAL A 28 -10.745 15.190 31.085 1.00 14.22 H new ATOM 0 HG22 VAL A 28 -11.100 13.534 30.539 1.00 14.22 H new ATOM 0 HG23 VAL A 28 -9.905 13.808 31.828 1.00 14.22 H new ATOM 408 N SER A 29 -7.586 13.137 27.389 1.00 52.51 N ATOM 409 CA SER A 29 -6.492 13.295 26.438 1.00 54.05 C ATOM 410 C SER A 29 -6.537 14.672 25.781 1.00 34.42 C ATOM 411 O SER A 29 -7.610 15.189 25.470 1.00 51.54 O ATOM 412 CB SER A 29 -6.559 12.204 25.367 1.00 41.54 C ATOM 413 OG SER A 29 -7.156 11.025 25.876 1.00 35.03 O ATOM 0 H SER A 29 -8.509 13.061 26.962 1.00 52.51 H new ATOM 0 HA SER A 29 -5.553 13.203 26.983 1.00 54.05 H new ATOM 0 HB2 SER A 29 -7.131 12.564 24.512 1.00 41.54 H new ATOM 0 HB3 SER A 29 -5.554 11.981 25.008 1.00 41.54 H new ATOM 0 HG SER A 29 -6.495 10.302 25.886 1.00 35.03 H new ATOM 419 N LYS A 30 -5.364 15.260 25.574 1.00 71.31 N ATOM 420 CA LYS A 30 -5.266 16.576 24.954 1.00 74.34 C ATOM 421 C LYS A 30 -4.958 16.454 23.465 1.00 72.13 C ATOM 422 O LYS A 30 -3.911 15.935 23.080 1.00 71.44 O ATOM 423 CB LYS A 30 -4.183 17.408 25.643 1.00 21.01 C ATOM 424 CG LYS A 30 -4.735 18.486 26.560 1.00 51.04 C ATOM 425 CD LYS A 30 -5.550 19.511 25.788 1.00 65.43 C ATOM 426 CE LYS A 30 -7.009 19.499 26.215 1.00 73.53 C ATOM 427 NZ LYS A 30 -7.802 20.543 25.509 1.00 12.22 N ATOM 0 H LYS A 30 -4.467 14.846 25.827 1.00 71.31 H new ATOM 0 HA LYS A 30 -6.227 17.076 25.069 1.00 74.34 H new ATOM 0 HB2 LYS A 30 -3.540 16.745 26.222 1.00 21.01 H new ATOM 0 HB3 LYS A 30 -3.557 17.875 24.883 1.00 21.01 H new ATOM 0 HG2 LYS A 30 -5.358 18.028 27.328 1.00 51.04 H new ATOM 0 HG3 LYS A 30 -3.913 18.985 27.073 1.00 51.04 H new ATOM 0 HD2 LYS A 30 -5.131 20.505 25.947 1.00 65.43 H new ATOM 0 HD3 LYS A 30 -5.481 19.303 24.720 1.00 65.43 H new ATOM 0 HE2 LYS A 30 -7.439 18.518 26.013 1.00 73.53 H new ATOM 0 HE3 LYS A 30 -7.074 19.660 27.291 1.00 73.53 H new ATOM 0 HZ1 LYS A 30 -8.814 20.396 25.696 1.00 12.22 H new ATOM 0 HZ2 LYS A 30 -7.520 21.484 25.851 1.00 12.22 H new ATOM 0 HZ3 LYS A 30 -7.626 20.480 24.486 1.00 12.22 H new ATOM 441 N GLN A 31 -5.876 16.937 22.634 1.00 41.04 N ATOM 442 CA GLN A 31 -5.700 16.882 21.187 1.00 14.21 C ATOM 443 C GLN A 31 -5.177 18.211 20.652 1.00 71.14 C ATOM 444 O GLN A 31 -5.849 19.238 20.746 1.00 54.03 O ATOM 445 CB GLN A 31 -7.023 16.529 20.505 1.00 51.13 C ATOM 446 CG GLN A 31 -6.854 15.691 19.248 1.00 54.03 C ATOM 447 CD GLN A 31 -5.752 16.208 18.345 1.00 42.31 C ATOM 448 OE1 GLN A 31 -6.000 16.994 17.430 1.00 12.32 O ATOM 449 NE2 GLN A 31 -4.524 15.769 18.598 1.00 54.32 N ATOM 0 H GLN A 31 -6.748 17.370 22.937 1.00 41.04 H new ATOM 0 HA GLN A 31 -4.966 16.107 20.964 1.00 14.21 H new ATOM 0 HB2 GLN A 31 -7.653 15.988 21.211 1.00 51.13 H new ATOM 0 HB3 GLN A 31 -7.548 17.450 20.250 1.00 51.13 H new ATOM 0 HG2 GLN A 31 -6.634 14.661 19.530 1.00 54.03 H new ATOM 0 HG3 GLN A 31 -7.794 15.677 18.696 1.00 54.03 H new ATOM 0 HE21 GLN A 31 -4.363 15.118 19.367 1.00 54.32 H new ATOM 0 HE22 GLN A 31 -3.742 16.083 18.024 1.00 54.32 H new ATOM 458 N PHE A 32 -3.973 18.184 20.090 1.00 71.22 N ATOM 459 CA PHE A 32 -3.359 19.387 19.540 1.00 24.32 C ATOM 460 C PHE A 32 -3.313 19.326 18.016 1.00 13.52 C ATOM 461 O PHE A 32 -3.796 18.372 17.407 1.00 73.03 O ATOM 462 CB PHE A 32 -1.944 19.563 20.097 1.00 34.42 C ATOM 463 CG PHE A 32 -0.911 18.741 19.380 1.00 13.42 C ATOM 464 CD1 PHE A 32 -0.820 17.376 19.597 1.00 43.00 C ATOM 465 CD2 PHE A 32 -0.031 19.335 18.490 1.00 52.13 C ATOM 466 CE1 PHE A 32 0.130 16.617 18.939 1.00 54.35 C ATOM 467 CE2 PHE A 32 0.920 18.581 17.828 1.00 11.51 C ATOM 468 CZ PHE A 32 1.001 17.221 18.054 1.00 42.23 C ATOM 0 H PHE A 32 -3.403 17.342 20.003 1.00 71.22 H new ATOM 0 HA PHE A 32 -3.967 20.242 19.834 1.00 24.32 H new ATOM 0 HB2 PHE A 32 -1.666 20.615 20.036 1.00 34.42 H new ATOM 0 HB3 PHE A 32 -1.942 19.294 21.153 1.00 34.42 H new ATOM 0 HD1 PHE A 32 -1.499 16.899 20.288 1.00 43.00 H new ATOM 0 HD2 PHE A 32 -0.089 20.399 18.311 1.00 52.13 H new ATOM 0 HE1 PHE A 32 0.191 15.553 19.117 1.00 54.35 H new ATOM 0 HE2 PHE A 32 1.599 19.055 17.135 1.00 11.51 H new ATOM 0 HZ PHE A 32 1.745 16.631 17.539 1.00 42.23 H new ATOM 478 N PHE A 33 -2.730 20.353 17.407 1.00 40.24 N ATOM 479 CA PHE A 33 -2.622 20.419 15.954 1.00 53.02 C ATOM 480 C PHE A 33 -1.160 20.426 15.517 1.00 54.45 C ATOM 481 O PHE A 33 -0.321 21.082 16.132 1.00 4.12 O ATOM 482 CB PHE A 33 -3.331 21.668 15.425 1.00 61.32 C ATOM 483 CG PHE A 33 -4.819 21.642 15.623 1.00 35.41 C ATOM 484 CD1 PHE A 33 -5.639 20.968 14.732 1.00 62.12 C ATOM 485 CD2 PHE A 33 -5.400 22.291 16.701 1.00 45.32 C ATOM 486 CE1 PHE A 33 -7.009 20.942 14.912 1.00 70.44 C ATOM 487 CE2 PHE A 33 -6.769 22.268 16.886 1.00 1.00 C ATOM 488 CZ PHE A 33 -7.575 21.593 15.990 1.00 42.53 C ATOM 0 H PHE A 33 -2.325 21.151 17.897 1.00 40.24 H new ATOM 0 HA PHE A 33 -3.103 19.533 15.538 1.00 53.02 H new ATOM 0 HB2 PHE A 33 -2.922 22.547 15.923 1.00 61.32 H new ATOM 0 HB3 PHE A 33 -3.116 21.775 14.362 1.00 61.32 H new ATOM 0 HD1 PHE A 33 -5.202 20.457 13.887 1.00 62.12 H new ATOM 0 HD2 PHE A 33 -4.775 22.821 17.405 1.00 45.32 H new ATOM 0 HE1 PHE A 33 -7.636 20.413 14.210 1.00 70.44 H new ATOM 0 HE2 PHE A 33 -7.209 22.777 17.731 1.00 1.00 H new ATOM 0 HZ PHE A 33 -8.645 21.575 16.132 1.00 42.53 H new ATOM 498 N ALA A 34 -0.865 19.692 14.449 1.00 24.54 N ATOM 499 CA ALA A 34 0.494 19.614 13.928 1.00 24.13 C ATOM 500 C ALA A 34 0.497 19.588 12.404 1.00 41.34 C ATOM 501 O ALA A 34 -0.167 18.756 11.785 1.00 1.14 O ATOM 502 CB ALA A 34 1.202 18.385 14.480 1.00 51.01 C ATOM 0 H ALA A 34 -1.549 19.143 13.928 1.00 24.54 H new ATOM 0 HA ALA A 34 1.032 20.505 14.251 1.00 24.13 H new ATOM 0 HB1 ALA A 34 2.216 18.340 14.082 1.00 51.01 H new ATOM 0 HB2 ALA A 34 1.241 18.446 15.568 1.00 51.01 H new ATOM 0 HB3 ALA A 34 0.657 17.488 14.186 1.00 51.01 H new ATOM 508 N VAL A 35 1.248 20.506 11.802 1.00 32.21 N ATOM 509 CA VAL A 35 1.337 20.588 10.349 1.00 0.02 C ATOM 510 C VAL A 35 2.790 20.623 9.889 1.00 70.11 C ATOM 511 O VAL A 35 3.519 21.573 10.171 1.00 71.01 O ATOM 512 CB VAL A 35 0.610 21.835 9.812 1.00 73.11 C ATOM 513 CG1 VAL A 35 -0.896 21.623 9.828 1.00 15.35 C ATOM 514 CG2 VAL A 35 0.993 23.065 10.621 1.00 34.44 C ATOM 0 H VAL A 35 1.803 21.203 12.298 1.00 32.21 H new ATOM 0 HA VAL A 35 0.854 19.695 9.951 1.00 0.02 H new ATOM 0 HB VAL A 35 0.919 21.998 8.779 1.00 73.11 H new ATOM 0 HG11 VAL A 35 -1.393 22.514 9.445 1.00 15.35 H new ATOM 0 HG12 VAL A 35 -1.150 20.768 9.201 1.00 15.35 H new ATOM 0 HG13 VAL A 35 -1.226 21.434 10.850 1.00 15.35 H new ATOM 0 HG21 VAL A 35 0.470 23.937 10.228 1.00 34.44 H new ATOM 0 HG22 VAL A 35 0.715 22.915 11.664 1.00 34.44 H new ATOM 0 HG23 VAL A 35 2.069 23.226 10.552 1.00 34.44 H new ATOM 524 N GLY A 36 3.205 19.579 9.177 1.00 0.13 N ATOM 525 CA GLY A 36 4.570 19.510 8.688 1.00 13.05 C ATOM 526 C GLY A 36 4.697 19.986 7.255 1.00 72.01 C ATOM 527 O GLY A 36 3.895 19.617 6.396 1.00 20.21 O ATOM 0 H GLY A 36 2.620 18.780 8.930 1.00 0.13 H new ATOM 0 HA2 GLY A 36 5.213 20.116 9.327 1.00 13.05 H new ATOM 0 HA3 GLY A 36 4.927 18.482 8.759 1.00 13.05 H new ATOM 531 N THR A 37 5.707 20.810 6.994 1.00 52.21 N ATOM 532 CA THR A 37 5.935 21.340 5.655 1.00 34.14 C ATOM 533 C THR A 37 7.238 20.810 5.069 1.00 41.20 C ATOM 534 O THR A 37 8.320 21.082 5.590 1.00 42.02 O ATOM 535 CB THR A 37 5.975 22.880 5.660 1.00 24.31 C ATOM 536 OG1 THR A 37 4.809 23.399 6.308 1.00 74.22 O ATOM 537 CG2 THR A 37 6.058 23.423 4.242 1.00 42.14 C ATOM 0 H THR A 37 6.380 21.125 7.692 1.00 52.21 H new ATOM 0 HA THR A 37 5.101 21.008 5.037 1.00 34.14 H new ATOM 0 HB THR A 37 6.864 23.197 6.206 1.00 24.31 H new ATOM 0 HG1 THR A 37 4.851 24.378 6.322 1.00 74.22 H new ATOM 0 HG21 THR A 37 6.085 24.512 4.271 1.00 42.14 H new ATOM 0 HG22 THR A 37 6.963 23.050 3.762 1.00 42.14 H new ATOM 0 HG23 THR A 37 5.186 23.096 3.676 1.00 42.14 H new ATOM 545 N TYR A 38 7.128 20.054 3.983 1.00 62.52 N ATOM 546 CA TYR A 38 8.299 19.484 3.326 1.00 10.03 C ATOM 547 C TYR A 38 9.039 20.544 2.517 1.00 43.32 C ATOM 548 O TYR A 38 8.428 21.458 1.963 1.00 73.33 O ATOM 549 CB TYR A 38 7.886 18.327 2.415 1.00 23.22 C ATOM 550 CG TYR A 38 7.150 17.221 3.137 1.00 61.21 C ATOM 551 CD1 TYR A 38 7.622 16.718 4.343 1.00 33.23 C ATOM 552 CD2 TYR A 38 5.984 16.678 2.612 1.00 13.03 C ATOM 553 CE1 TYR A 38 6.953 15.707 5.006 1.00 31.10 C ATOM 554 CE2 TYR A 38 5.308 15.668 3.269 1.00 55.12 C ATOM 555 CZ TYR A 38 5.796 15.186 4.465 1.00 21.31 C ATOM 556 OH TYR A 38 5.126 14.179 5.121 1.00 22.34 O ATOM 0 H TYR A 38 6.240 19.821 3.538 1.00 62.52 H new ATOM 0 HA TYR A 38 8.970 19.108 4.098 1.00 10.03 H new ATOM 0 HB2 TYR A 38 7.252 18.713 1.616 1.00 23.22 H new ATOM 0 HB3 TYR A 38 8.776 17.912 1.943 1.00 23.22 H new ATOM 0 HD1 TYR A 38 8.527 17.124 4.770 1.00 33.23 H new ATOM 0 HD2 TYR A 38 5.600 17.052 1.674 1.00 13.03 H new ATOM 0 HE1 TYR A 38 7.334 15.327 5.942 1.00 31.10 H new ATOM 0 HE2 TYR A 38 4.402 15.258 2.848 1.00 55.12 H new ATOM 0 HH TYR A 38 4.331 13.926 4.607 1.00 22.34 H new ATOM 566 N SER A 39 10.361 20.415 2.453 1.00 14.00 N ATOM 567 CA SER A 39 11.187 21.363 1.714 1.00 33.13 C ATOM 568 C SER A 39 10.811 21.373 0.236 1.00 44.24 C ATOM 569 O SER A 39 11.120 22.320 -0.488 1.00 2.20 O ATOM 570 CB SER A 39 12.668 21.014 1.874 1.00 74.31 C ATOM 571 OG SER A 39 13.487 22.144 1.633 1.00 40.41 O ATOM 0 H SER A 39 10.883 19.663 2.904 1.00 14.00 H new ATOM 0 HA SER A 39 11.010 22.358 2.122 1.00 33.13 H new ATOM 0 HB2 SER A 39 12.849 20.638 2.881 1.00 74.31 H new ATOM 0 HB3 SER A 39 12.933 20.215 1.182 1.00 74.31 H new ATOM 0 HG SER A 39 14.428 21.895 1.743 1.00 40.41 H new ATOM 577 N ASP A 40 10.144 20.313 -0.206 1.00 53.21 N ATOM 578 CA ASP A 40 9.724 20.199 -1.598 1.00 44.02 C ATOM 579 C ASP A 40 8.614 21.196 -1.915 1.00 34.44 C ATOM 580 O ASP A 40 8.259 21.398 -3.075 1.00 63.12 O ATOM 581 CB ASP A 40 9.250 18.776 -1.895 1.00 74.20 C ATOM 582 CG ASP A 40 10.131 17.725 -1.249 1.00 71.10 C ATOM 583 OD1 ASP A 40 11.368 17.822 -1.387 1.00 70.15 O ATOM 584 OD2 ASP A 40 9.583 16.805 -0.606 1.00 24.23 O ATOM 0 H ASP A 40 9.882 19.520 0.380 1.00 53.21 H new ATOM 0 HA ASP A 40 10.582 20.427 -2.230 1.00 44.02 H new ATOM 0 HB2 ASP A 40 8.226 18.656 -1.540 1.00 74.20 H new ATOM 0 HB3 ASP A 40 9.234 18.619 -2.974 1.00 74.20 H new ATOM 589 N GLY A 41 8.067 21.815 -0.873 1.00 13.21 N ATOM 590 CA GLY A 41 7.001 22.782 -1.061 1.00 12.03 C ATOM 591 C GLY A 41 5.627 22.179 -0.847 1.00 73.13 C ATOM 592 O GLY A 41 4.700 22.437 -1.616 1.00 11.40 O ATOM 0 H GLY A 41 8.343 21.664 0.097 1.00 13.21 H new ATOM 0 HA2 GLY A 41 7.142 23.612 -0.369 1.00 12.03 H new ATOM 0 HA3 GLY A 41 7.061 23.193 -2.069 1.00 12.03 H new ATOM 596 N THR A 42 5.493 21.370 0.199 1.00 0.14 N ATOM 597 CA THR A 42 4.223 20.726 0.510 1.00 22.13 C ATOM 598 C THR A 42 3.859 20.908 1.979 1.00 4.14 C ATOM 599 O THR A 42 4.691 21.319 2.790 1.00 73.55 O ATOM 600 CB THR A 42 4.263 19.221 0.186 1.00 73.42 C ATOM 601 OG1 THR A 42 5.593 18.832 -0.173 1.00 62.42 O ATOM 602 CG2 THR A 42 3.307 18.887 -0.950 1.00 64.30 C ATOM 0 H THR A 42 6.249 21.145 0.846 1.00 0.14 H new ATOM 0 HA THR A 42 3.466 21.204 -0.111 1.00 22.13 H new ATOM 0 HB THR A 42 3.952 18.672 1.075 1.00 73.42 H new ATOM 0 HG1 THR A 42 5.610 17.873 -0.376 1.00 62.42 H new ATOM 0 HG21 THR A 42 3.352 17.819 -1.161 1.00 64.30 H new ATOM 0 HG22 THR A 42 2.291 19.157 -0.662 1.00 64.30 H new ATOM 0 HG23 THR A 42 3.592 19.446 -1.842 1.00 64.30 H new ATOM 610 N LYS A 43 2.612 20.600 2.318 1.00 60.22 N ATOM 611 CA LYS A 43 2.137 20.727 3.691 1.00 44.35 C ATOM 612 C LYS A 43 1.083 19.670 4.002 1.00 23.22 C ATOM 613 O LYS A 43 0.104 19.522 3.272 1.00 61.03 O ATOM 614 CB LYS A 43 1.558 22.124 3.924 1.00 41.41 C ATOM 615 CG LYS A 43 1.360 22.463 5.391 1.00 11.32 C ATOM 616 CD LYS A 43 0.795 23.863 5.569 1.00 62.21 C ATOM 617 CE LYS A 43 1.898 24.910 5.588 1.00 53.41 C ATOM 618 NZ LYS A 43 1.854 25.739 6.824 1.00 0.24 N ATOM 0 H LYS A 43 1.911 20.260 1.660 1.00 60.22 H new ATOM 0 HA LYS A 43 2.985 20.576 4.358 1.00 44.35 H new ATOM 0 HB2 LYS A 43 2.222 22.863 3.475 1.00 41.41 H new ATOM 0 HB3 LYS A 43 0.600 22.202 3.409 1.00 41.41 H new ATOM 0 HG2 LYS A 43 0.686 21.737 5.845 1.00 11.32 H new ATOM 0 HG3 LYS A 43 2.312 22.385 5.915 1.00 11.32 H new ATOM 0 HD2 LYS A 43 0.098 24.081 4.759 1.00 62.21 H new ATOM 0 HD3 LYS A 43 0.229 23.913 6.499 1.00 62.21 H new ATOM 0 HE2 LYS A 43 2.868 24.417 5.515 1.00 53.41 H new ATOM 0 HE3 LYS A 43 1.802 25.555 4.714 1.00 53.41 H new ATOM 0 HZ1 LYS A 43 2.621 26.441 6.799 1.00 0.24 H new ATOM 0 HZ2 LYS A 43 0.939 26.229 6.881 1.00 0.24 H new ATOM 0 HZ3 LYS A 43 1.971 25.127 7.657 1.00 0.24 H new ATOM 632 N ALA A 44 1.290 18.938 5.092 1.00 62.31 N ATOM 633 CA ALA A 44 0.356 17.897 5.502 1.00 72.24 C ATOM 634 C ALA A 44 0.339 17.740 7.018 1.00 22.04 C ATOM 635 O ALA A 44 1.378 17.834 7.673 1.00 34.40 O ATOM 636 CB ALA A 44 0.712 16.576 4.836 1.00 25.34 C ATOM 0 H ALA A 44 2.097 19.047 5.707 1.00 62.31 H new ATOM 0 HA ALA A 44 -0.643 18.194 5.183 1.00 72.24 H new ATOM 0 HB1 ALA A 44 0.006 15.808 5.151 1.00 25.34 H new ATOM 0 HB2 ALA A 44 0.664 16.690 3.753 1.00 25.34 H new ATOM 0 HB3 ALA A 44 1.721 16.283 5.126 1.00 25.34 H new ATOM 642 N ASP A 45 -0.845 17.502 7.571 1.00 72.22 N ATOM 643 CA ASP A 45 -0.997 17.332 9.011 1.00 22.42 C ATOM 644 C ASP A 45 -0.341 16.036 9.477 1.00 22.43 C ATOM 645 O ASP A 45 -0.996 14.998 9.582 1.00 55.12 O ATOM 646 CB ASP A 45 -2.478 17.335 9.394 1.00 63.44 C ATOM 647 CG ASP A 45 -3.322 16.504 8.447 1.00 24.32 C ATOM 648 OD1 ASP A 45 -2.768 15.583 7.810 1.00 24.04 O ATOM 649 OD2 ASP A 45 -4.536 16.773 8.344 1.00 54.41 O ATOM 0 H ASP A 45 -1.714 17.422 7.043 1.00 72.22 H new ATOM 0 HA ASP A 45 -0.501 18.168 9.505 1.00 22.42 H new ATOM 0 HB2 ASP A 45 -2.589 16.950 10.408 1.00 63.44 H new ATOM 0 HB3 ASP A 45 -2.847 18.361 9.400 1.00 63.44 H new ATOM 654 N LEU A 46 0.957 16.102 9.755 1.00 35.10 N ATOM 655 CA LEU A 46 1.702 14.933 10.209 1.00 4.32 C ATOM 656 C LEU A 46 2.002 15.025 11.702 1.00 32.20 C ATOM 657 O LEU A 46 2.601 15.994 12.168 1.00 2.34 O ATOM 658 CB LEU A 46 3.008 14.800 9.423 1.00 73.31 C ATOM 659 CG LEU A 46 2.910 14.080 8.077 1.00 20.14 C ATOM 660 CD1 LEU A 46 2.569 12.612 8.281 1.00 72.12 C ATOM 661 CD2 LEU A 46 1.875 14.752 7.187 1.00 33.41 C ATOM 0 H LEU A 46 1.515 16.952 9.674 1.00 35.10 H new ATOM 0 HA LEU A 46 1.087 14.050 10.034 1.00 4.32 H new ATOM 0 HB2 LEU A 46 3.408 15.799 9.250 1.00 73.31 H new ATOM 0 HB3 LEU A 46 3.730 14.270 10.044 1.00 73.31 H new ATOM 0 HG LEU A 46 3.879 14.141 7.582 1.00 20.14 H new ATOM 0 HD11 LEU A 46 2.503 12.116 7.313 1.00 72.12 H new ATOM 0 HD12 LEU A 46 3.346 12.138 8.880 1.00 72.12 H new ATOM 0 HD13 LEU A 46 1.612 12.529 8.797 1.00 72.12 H new ATOM 0 HD21 LEU A 46 1.819 14.227 6.234 1.00 33.41 H new ATOM 0 HD22 LEU A 46 0.901 14.723 7.676 1.00 33.41 H new ATOM 0 HD23 LEU A 46 2.163 15.789 7.013 1.00 33.41 H new ATOM 673 N THR A 47 1.582 14.007 12.448 1.00 2.51 N ATOM 674 CA THR A 47 1.806 13.972 13.888 1.00 40.12 C ATOM 675 C THR A 47 2.571 12.718 14.295 1.00 60.13 C ATOM 676 O THR A 47 3.558 12.791 15.027 1.00 15.33 O ATOM 677 CB THR A 47 0.477 14.023 14.664 1.00 12.54 C ATOM 678 OG1 THR A 47 -0.597 13.577 13.828 1.00 25.55 O ATOM 679 CG2 THR A 47 0.191 15.435 15.155 1.00 74.24 C ATOM 0 H THR A 47 1.085 13.196 12.078 1.00 2.51 H new ATOM 0 HA THR A 47 2.398 14.852 14.137 1.00 40.12 H new ATOM 0 HB THR A 47 0.561 13.364 15.528 1.00 12.54 H new ATOM 0 HG1 THR A 47 -0.865 12.673 14.094 1.00 25.55 H new ATOM 0 HG21 THR A 47 -0.753 15.446 15.700 1.00 74.24 H new ATOM 0 HG22 THR A 47 0.995 15.761 15.815 1.00 74.24 H new ATOM 0 HG23 THR A 47 0.125 16.111 14.302 1.00 74.24 H new ATOM 687 N SER A 48 2.110 11.567 13.814 1.00 3.43 N ATOM 688 CA SER A 48 2.750 10.296 14.131 1.00 21.10 C ATOM 689 C SER A 48 4.212 10.300 13.696 1.00 44.23 C ATOM 690 O SER A 48 5.042 9.589 14.262 1.00 61.32 O ATOM 691 CB SER A 48 2.007 9.144 13.452 1.00 64.24 C ATOM 692 OG SER A 48 2.366 7.898 14.023 1.00 22.15 O ATOM 0 H SER A 48 1.296 11.489 13.204 1.00 3.43 H new ATOM 0 HA SER A 48 2.711 10.157 15.211 1.00 21.10 H new ATOM 0 HB2 SER A 48 0.932 9.295 13.547 1.00 64.24 H new ATOM 0 HB3 SER A 48 2.235 9.138 12.386 1.00 64.24 H new ATOM 0 HG SER A 48 1.876 7.178 13.573 1.00 22.15 H new ATOM 698 N SER A 49 4.520 11.108 12.686 1.00 61.43 N ATOM 699 CA SER A 49 5.881 11.203 12.171 1.00 60.14 C ATOM 700 C SER A 49 6.808 11.842 13.200 1.00 21.32 C ATOM 701 O SER A 49 8.031 11.746 13.095 1.00 10.53 O ATOM 702 CB SER A 49 5.903 12.015 10.874 1.00 14.45 C ATOM 703 OG SER A 49 6.713 11.391 9.894 1.00 30.52 O ATOM 0 H SER A 49 3.846 11.706 12.208 1.00 61.43 H new ATOM 0 HA SER A 49 6.236 10.193 11.965 1.00 60.14 H new ATOM 0 HB2 SER A 49 4.888 12.126 10.494 1.00 14.45 H new ATOM 0 HB3 SER A 49 6.279 13.018 11.076 1.00 14.45 H new ATOM 0 HG SER A 49 7.351 12.042 9.534 1.00 30.52 H new ATOM 709 N VAL A 50 6.216 12.494 14.196 1.00 23.20 N ATOM 710 CA VAL A 50 6.987 13.148 15.246 1.00 4.13 C ATOM 711 C VAL A 50 7.129 12.246 16.467 1.00 13.44 C ATOM 712 O VAL A 50 6.192 11.542 16.845 1.00 31.21 O ATOM 713 CB VAL A 50 6.337 14.477 15.675 1.00 31.33 C ATOM 714 CG1 VAL A 50 7.183 15.169 16.733 1.00 63.12 C ATOM 715 CG2 VAL A 50 6.130 15.382 14.470 1.00 34.42 C ATOM 0 H VAL A 50 5.205 12.583 14.297 1.00 23.20 H new ATOM 0 HA VAL A 50 7.975 13.352 14.833 1.00 4.13 H new ATOM 0 HB VAL A 50 5.361 14.260 16.110 1.00 31.33 H new ATOM 0 HG11 VAL A 50 6.708 16.106 17.023 1.00 63.12 H new ATOM 0 HG12 VAL A 50 7.274 14.523 17.606 1.00 63.12 H new ATOM 0 HG13 VAL A 50 8.174 15.375 16.329 1.00 63.12 H new ATOM 0 HG21 VAL A 50 5.670 16.316 14.791 1.00 34.42 H new ATOM 0 HG22 VAL A 50 7.092 15.593 14.004 1.00 34.42 H new ATOM 0 HG23 VAL A 50 5.479 14.886 13.750 1.00 34.42 H new ATOM 725 N THR A 51 8.307 12.273 17.083 1.00 72.01 N ATOM 726 CA THR A 51 8.572 11.458 18.261 1.00 31.35 C ATOM 727 C THR A 51 8.103 12.158 19.531 1.00 14.25 C ATOM 728 O THR A 51 8.315 13.358 19.704 1.00 52.51 O ATOM 729 CB THR A 51 10.072 11.131 18.393 1.00 15.31 C ATOM 730 OG1 THR A 51 10.741 11.394 17.155 1.00 75.14 O ATOM 731 CG2 THR A 51 10.276 9.676 18.787 1.00 1.43 C ATOM 0 H THR A 51 9.093 12.851 16.785 1.00 72.01 H new ATOM 0 HA THR A 51 8.015 10.530 18.134 1.00 31.35 H new ATOM 0 HB THR A 51 10.492 11.764 19.174 1.00 15.31 H new ATOM 0 HG1 THR A 51 11.694 11.185 17.247 1.00 75.14 H new ATOM 0 HG21 THR A 51 11.343 9.469 18.874 1.00 1.43 H new ATOM 0 HG22 THR A 51 9.790 9.487 19.744 1.00 1.43 H new ATOM 0 HG23 THR A 51 9.842 9.028 18.025 1.00 1.43 H new ATOM 739 N TRP A 52 7.465 11.402 20.417 1.00 22.44 N ATOM 740 CA TRP A 52 6.966 11.951 21.673 1.00 3.10 C ATOM 741 C TRP A 52 7.820 11.486 22.848 1.00 51.32 C ATOM 742 O TRP A 52 8.142 10.304 22.964 1.00 73.24 O ATOM 743 CB TRP A 52 5.509 11.539 21.891 1.00 44.23 C ATOM 744 CG TRP A 52 4.530 12.425 21.183 1.00 54.22 C ATOM 745 CD1 TRP A 52 4.058 13.633 21.612 1.00 43.12 C ATOM 746 CD2 TRP A 52 3.900 12.171 19.922 1.00 10.42 C ATOM 747 NE1 TRP A 52 3.174 14.146 20.694 1.00 74.52 N ATOM 748 CE2 TRP A 52 3.060 13.268 19.648 1.00 51.41 C ATOM 749 CE3 TRP A 52 3.966 11.126 18.998 1.00 74.33 C ATOM 750 CZ2 TRP A 52 2.292 13.346 18.489 1.00 42.01 C ATOM 751 CZ3 TRP A 52 3.203 11.204 17.848 1.00 11.11 C ATOM 752 CH2 TRP A 52 2.376 12.308 17.601 1.00 32.02 C ATOM 0 H TRP A 52 7.281 10.407 20.289 1.00 22.44 H new ATOM 0 HA TRP A 52 7.024 13.038 21.614 1.00 3.10 H new ATOM 0 HB2 TRP A 52 5.374 10.513 21.548 1.00 44.23 H new ATOM 0 HB3 TRP A 52 5.292 11.550 22.959 1.00 44.23 H new ATOM 0 HD1 TRP A 52 4.339 14.114 22.537 1.00 43.12 H new ATOM 0 HE1 TRP A 52 2.682 15.036 20.777 1.00 74.52 H new ATOM 0 HE3 TRP A 52 4.602 10.272 19.179 1.00 74.33 H new ATOM 0 HZ2 TRP A 52 1.653 14.195 18.298 1.00 42.01 H new ATOM 0 HZ3 TRP A 52 3.245 10.400 17.128 1.00 11.11 H new ATOM 0 HH2 TRP A 52 1.794 12.340 16.692 1.00 32.02 H new ATOM 763 N SER A 53 8.183 12.424 23.717 1.00 23.32 N ATOM 764 CA SER A 53 9.003 12.110 24.882 1.00 60.23 C ATOM 765 C SER A 53 8.567 12.932 26.091 1.00 75.43 C ATOM 766 O SER A 53 8.399 14.148 26.001 1.00 63.21 O ATOM 767 CB SER A 53 10.479 12.372 24.578 1.00 3.53 C ATOM 768 OG SER A 53 11.206 11.159 24.490 1.00 74.12 O ATOM 0 H SER A 53 7.923 13.407 23.637 1.00 23.32 H new ATOM 0 HA SER A 53 8.869 11.054 25.116 1.00 60.23 H new ATOM 0 HB2 SER A 53 10.568 12.922 23.641 1.00 3.53 H new ATOM 0 HB3 SER A 53 10.908 13.001 25.358 1.00 3.53 H new ATOM 0 HG SER A 53 12.146 11.354 24.293 1.00 74.12 H new ATOM 774 N SER A 54 8.384 12.258 27.222 1.00 74.53 N ATOM 775 CA SER A 54 7.963 12.923 28.449 1.00 52.31 C ATOM 776 C SER A 54 8.779 12.432 29.641 1.00 52.13 C ATOM 777 O SER A 54 9.297 11.316 29.634 1.00 31.55 O ATOM 778 CB SER A 54 6.474 12.680 28.701 1.00 15.30 C ATOM 779 OG SER A 54 5.935 13.665 29.566 1.00 4.14 O ATOM 0 H SER A 54 8.521 11.251 27.314 1.00 74.53 H new ATOM 0 HA SER A 54 8.134 13.993 28.330 1.00 52.31 H new ATOM 0 HB2 SER A 54 5.935 12.690 27.753 1.00 15.30 H new ATOM 0 HB3 SER A 54 6.333 11.691 29.138 1.00 15.30 H new ATOM 0 HG SER A 54 6.323 14.538 29.349 1.00 4.14 H new ATOM 785 N SER A 55 8.889 13.275 30.662 1.00 14.15 N ATOM 786 CA SER A 55 9.644 12.930 31.861 1.00 64.33 C ATOM 787 C SER A 55 9.116 11.641 32.484 1.00 50.23 C ATOM 788 O SER A 55 9.887 10.801 32.946 1.00 75.13 O ATOM 789 CB SER A 55 9.574 14.069 32.880 1.00 60.42 C ATOM 790 OG SER A 55 10.428 15.137 32.510 1.00 2.21 O ATOM 0 H SER A 55 8.465 14.202 30.683 1.00 14.15 H new ATOM 0 HA SER A 55 10.684 12.774 31.573 1.00 64.33 H new ATOM 0 HB2 SER A 55 8.548 14.429 32.957 1.00 60.42 H new ATOM 0 HB3 SER A 55 9.857 13.698 33.865 1.00 60.42 H new ATOM 0 HG SER A 55 10.364 15.853 33.176 1.00 2.21 H new ATOM 796 N ASN A 56 7.795 11.494 32.492 1.00 21.22 N ATOM 797 CA ASN A 56 7.162 10.308 33.059 1.00 51.53 C ATOM 798 C ASN A 56 6.687 9.366 31.957 1.00 43.02 C ATOM 799 O ASN A 56 6.131 9.804 30.950 1.00 21.30 O ATOM 800 CB ASN A 56 5.981 10.710 33.945 1.00 24.15 C ATOM 801 CG ASN A 56 6.419 11.477 35.178 1.00 10.31 C ATOM 802 OD1 ASN A 56 7.395 11.114 35.835 1.00 51.30 O ATOM 803 ND2 ASN A 56 5.696 12.545 35.498 1.00 64.33 N ATOM 0 H ASN A 56 7.143 12.180 32.113 1.00 21.22 H new ATOM 0 HA ASN A 56 7.902 9.786 33.665 1.00 51.53 H new ATOM 0 HB2 ASN A 56 5.288 11.321 33.367 1.00 24.15 H new ATOM 0 HB3 ASN A 56 5.438 9.815 34.250 1.00 24.15 H new ATOM 0 HD21 ASN A 56 5.942 13.101 36.317 1.00 64.33 H new ATOM 0 HD22 ASN A 56 4.895 12.809 34.924 1.00 64.33 H new ATOM 810 N GLN A 57 6.911 8.071 32.156 1.00 13.13 N ATOM 811 CA GLN A 57 6.506 7.067 31.179 1.00 12.24 C ATOM 812 C GLN A 57 4.988 6.917 31.151 1.00 64.44 C ATOM 813 O GLN A 57 4.397 6.689 30.095 1.00 3.11 O ATOM 814 CB GLN A 57 7.158 5.721 31.500 1.00 52.11 C ATOM 815 CG GLN A 57 7.571 4.936 30.266 1.00 43.15 C ATOM 816 CD GLN A 57 6.461 4.048 29.740 1.00 60.22 C ATOM 817 OE1 GLN A 57 6.011 3.127 30.422 1.00 23.15 O ATOM 818 NE2 GLN A 57 6.012 4.320 28.520 1.00 22.21 N ATOM 0 H GLN A 57 7.370 7.693 32.984 1.00 13.13 H new ATOM 0 HA GLN A 57 6.838 7.398 30.195 1.00 12.24 H new ATOM 0 HB2 GLN A 57 8.036 5.891 32.123 1.00 52.11 H new ATOM 0 HB3 GLN A 57 6.463 5.121 32.087 1.00 52.11 H new ATOM 0 HG2 GLN A 57 7.877 5.631 29.484 1.00 43.15 H new ATOM 0 HG3 GLN A 57 8.440 4.322 30.504 1.00 43.15 H new ATOM 0 HE21 GLN A 57 6.414 5.093 27.989 1.00 22.21 H new ATOM 0 HE22 GLN A 57 5.266 3.756 28.114 1.00 22.21 H new ATOM 827 N SER A 58 4.364 7.045 32.317 1.00 73.42 N ATOM 828 CA SER A 58 2.915 6.919 32.426 1.00 61.51 C ATOM 829 C SER A 58 2.213 8.026 31.646 1.00 1.32 C ATOM 830 O SER A 58 1.241 7.777 30.934 1.00 40.32 O ATOM 831 CB SER A 58 2.487 6.963 33.894 1.00 21.20 C ATOM 832 OG SER A 58 3.582 6.696 34.753 1.00 64.33 O ATOM 0 H SER A 58 4.839 7.236 33.200 1.00 73.42 H new ATOM 0 HA SER A 58 2.626 5.959 31.999 1.00 61.51 H new ATOM 0 HB2 SER A 58 2.070 7.943 34.125 1.00 21.20 H new ATOM 0 HB3 SER A 58 1.698 6.232 34.068 1.00 21.20 H new ATOM 0 HG SER A 58 3.283 6.732 35.685 1.00 64.33 H new ATOM 838 N GLN A 59 2.714 9.249 31.788 1.00 53.34 N ATOM 839 CA GLN A 59 2.135 10.396 31.097 1.00 35.25 C ATOM 840 C GLN A 59 2.629 10.471 29.657 1.00 65.11 C ATOM 841 O GLN A 59 2.244 11.365 28.904 1.00 61.32 O ATOM 842 CB GLN A 59 2.480 11.690 31.836 1.00 13.10 C ATOM 843 CG GLN A 59 2.539 11.531 33.347 1.00 44.33 C ATOM 844 CD GLN A 59 1.272 10.928 33.921 1.00 45.14 C ATOM 845 OE1 GLN A 59 0.247 10.848 33.243 1.00 1.24 O ATOM 846 NE2 GLN A 59 1.337 10.499 35.176 1.00 55.23 N ATOM 0 H GLN A 59 3.518 9.471 32.374 1.00 53.34 H new ATOM 0 HA GLN A 59 1.052 10.271 31.083 1.00 35.25 H new ATOM 0 HB2 GLN A 59 3.443 12.056 31.480 1.00 13.10 H new ATOM 0 HB3 GLN A 59 1.738 12.449 31.588 1.00 13.10 H new ATOM 0 HG2 GLN A 59 3.388 10.900 33.609 1.00 44.33 H new ATOM 0 HG3 GLN A 59 2.713 12.505 33.804 1.00 44.33 H new ATOM 0 HE21 GLN A 59 2.208 10.586 35.700 1.00 55.23 H new ATOM 0 HE22 GLN A 59 0.516 10.083 35.616 1.00 55.23 H new ATOM 855 N ALA A 60 3.486 9.527 29.281 1.00 73.24 N ATOM 856 CA ALA A 60 4.032 9.485 27.930 1.00 40.31 C ATOM 857 C ALA A 60 3.178 8.610 27.019 1.00 61.20 C ATOM 858 O ALA A 60 3.644 7.594 26.502 1.00 54.25 O ATOM 859 CB ALA A 60 5.467 8.981 27.956 1.00 22.43 C ATOM 0 H ALA A 60 3.817 8.781 29.893 1.00 73.24 H new ATOM 0 HA ALA A 60 4.022 10.499 27.529 1.00 40.31 H new ATOM 0 HB1 ALA A 60 5.862 8.955 26.940 1.00 22.43 H new ATOM 0 HB2 ALA A 60 6.076 9.649 28.565 1.00 22.43 H new ATOM 0 HB3 ALA A 60 5.493 7.978 28.381 1.00 22.43 H new ATOM 865 N LYS A 61 1.925 9.009 26.827 1.00 24.01 N ATOM 866 CA LYS A 61 1.005 8.262 25.978 1.00 23.41 C ATOM 867 C LYS A 61 0.536 9.113 24.803 1.00 15.30 C ATOM 868 O LYS A 61 0.245 10.299 24.960 1.00 41.31 O ATOM 869 CB LYS A 61 -0.201 7.787 26.792 1.00 63.12 C ATOM 870 CG LYS A 61 -0.393 6.280 26.772 1.00 41.30 C ATOM 871 CD LYS A 61 -1.755 5.885 27.317 1.00 71.32 C ATOM 872 CE LYS A 61 -1.891 4.374 27.435 1.00 2.44 C ATOM 873 NZ LYS A 61 -2.997 3.849 26.588 1.00 21.33 N ATOM 0 H LYS A 61 1.523 9.846 27.249 1.00 24.01 H new ATOM 0 HA LYS A 61 1.535 7.394 25.586 1.00 23.41 H new ATOM 0 HB2 LYS A 61 -0.084 8.116 27.824 1.00 63.12 H new ATOM 0 HB3 LYS A 61 -1.101 8.265 26.405 1.00 63.12 H new ATOM 0 HG2 LYS A 61 -0.288 5.912 25.751 1.00 41.30 H new ATOM 0 HG3 LYS A 61 0.389 5.805 27.364 1.00 41.30 H new ATOM 0 HD2 LYS A 61 -1.903 6.342 28.295 1.00 71.32 H new ATOM 0 HD3 LYS A 61 -2.536 6.272 26.663 1.00 71.32 H new ATOM 0 HE2 LYS A 61 -0.954 3.901 27.142 1.00 2.44 H new ATOM 0 HE3 LYS A 61 -2.072 4.106 28.476 1.00 2.44 H new ATOM 0 HZ1 LYS A 61 -3.057 2.816 26.696 1.00 21.33 H new ATOM 0 HZ2 LYS A 61 -3.896 4.281 26.884 1.00 21.33 H new ATOM 0 HZ3 LYS A 61 -2.812 4.082 25.592 1.00 21.33 H new ATOM 887 N VAL A 62 0.462 8.500 23.626 1.00 52.32 N ATOM 888 CA VAL A 62 0.025 9.202 22.425 1.00 74.23 C ATOM 889 C VAL A 62 -0.827 8.298 21.540 1.00 41.31 C ATOM 890 O VAL A 62 -0.548 7.107 21.401 1.00 53.44 O ATOM 891 CB VAL A 62 1.224 9.718 21.608 1.00 2.44 C ATOM 892 CG1 VAL A 62 1.848 10.930 22.284 1.00 51.20 C ATOM 893 CG2 VAL A 62 2.254 8.615 21.419 1.00 72.24 C ATOM 0 H VAL A 62 0.699 7.519 23.478 1.00 52.32 H new ATOM 0 HA VAL A 62 -0.573 10.052 22.755 1.00 74.23 H new ATOM 0 HB VAL A 62 0.867 10.023 20.624 1.00 2.44 H new ATOM 0 HG11 VAL A 62 2.694 11.281 21.693 1.00 51.20 H new ATOM 0 HG12 VAL A 62 1.106 11.724 22.363 1.00 51.20 H new ATOM 0 HG13 VAL A 62 2.192 10.654 23.281 1.00 51.20 H new ATOM 0 HG21 VAL A 62 3.094 8.997 20.840 1.00 72.24 H new ATOM 0 HG22 VAL A 62 2.608 8.277 22.393 1.00 72.24 H new ATOM 0 HG23 VAL A 62 1.798 7.779 20.889 1.00 72.24 H new ATOM 903 N SER A 63 -1.866 8.873 20.943 1.00 13.01 N ATOM 904 CA SER A 63 -2.762 8.119 20.073 1.00 25.15 C ATOM 905 C SER A 63 -2.346 8.260 18.612 1.00 24.34 C ATOM 906 O SER A 63 -3.189 8.338 17.720 1.00 12.45 O ATOM 907 CB SER A 63 -4.204 8.597 20.253 1.00 23.43 C ATOM 908 OG SER A 63 -5.125 7.617 19.806 1.00 20.04 O ATOM 0 H SER A 63 -2.108 9.858 21.046 1.00 13.01 H new ATOM 0 HA SER A 63 -2.698 7.067 20.351 1.00 25.15 H new ATOM 0 HB2 SER A 63 -4.388 8.821 21.304 1.00 23.43 H new ATOM 0 HB3 SER A 63 -4.356 9.523 19.698 1.00 23.43 H new ATOM 0 HG SER A 63 -4.934 7.390 18.872 1.00 20.04 H new ATOM 914 N ASN A 64 -1.038 8.291 18.376 1.00 30.32 N ATOM 915 CA ASN A 64 -0.509 8.423 17.024 1.00 65.42 C ATOM 916 C ASN A 64 -0.936 7.243 16.155 1.00 45.40 C ATOM 917 O ASN A 64 -0.293 6.194 16.155 1.00 4.14 O ATOM 918 CB ASN A 64 1.018 8.519 17.059 1.00 61.55 C ATOM 919 CG ASN A 64 1.637 7.532 18.030 1.00 4.52 C ATOM 920 OD1 ASN A 64 1.044 6.502 18.349 1.00 15.55 O ATOM 921 ND2 ASN A 64 2.837 7.845 18.506 1.00 63.14 N ATOM 0 H ASN A 64 -0.326 8.227 19.103 1.00 30.32 H new ATOM 0 HA ASN A 64 -0.914 9.337 16.589 1.00 65.42 H new ATOM 0 HB2 ASN A 64 1.414 8.338 16.060 1.00 61.55 H new ATOM 0 HB3 ASN A 64 1.309 9.531 17.339 1.00 61.55 H new ATOM 0 HD21 ASN A 64 3.304 7.220 19.164 1.00 63.14 H new ATOM 0 HD22 ASN A 64 3.292 8.710 18.214 1.00 63.14 H new ATOM 928 N ALA A 65 -2.024 7.425 15.415 1.00 73.43 N ATOM 929 CA ALA A 65 -2.536 6.377 14.539 1.00 2.34 C ATOM 930 C ALA A 65 -2.976 6.951 13.196 1.00 24.55 C ATOM 931 O ALA A 65 -2.680 6.386 12.143 1.00 13.12 O ATOM 932 CB ALA A 65 -3.692 5.648 15.208 1.00 3.22 C ATOM 0 H ALA A 65 -2.568 8.288 15.404 1.00 73.43 H new ATOM 0 HA ALA A 65 -1.731 5.666 14.354 1.00 2.34 H new ATOM 0 HB1 ALA A 65 -4.064 4.869 14.543 1.00 3.22 H new ATOM 0 HB2 ALA A 65 -3.348 5.197 16.139 1.00 3.22 H new ATOM 0 HB3 ALA A 65 -4.493 6.355 15.422 1.00 3.22 H new ATOM 938 N SER A 66 -3.684 8.075 13.241 1.00 24.44 N ATOM 939 CA SER A 66 -4.168 8.722 12.028 1.00 72.22 C ATOM 940 C SER A 66 -3.076 9.580 11.397 1.00 70.14 C ATOM 941 O SER A 66 -3.207 10.032 10.260 1.00 70.44 O ATOM 942 CB SER A 66 -5.394 9.583 12.338 1.00 3.25 C ATOM 943 OG SER A 66 -6.279 8.913 13.219 1.00 63.51 O ATOM 0 H SER A 66 -3.935 8.556 14.105 1.00 24.44 H new ATOM 0 HA SER A 66 -4.450 7.944 11.319 1.00 72.22 H new ATOM 0 HB2 SER A 66 -5.077 10.526 12.784 1.00 3.25 H new ATOM 0 HB3 SER A 66 -5.914 9.828 11.412 1.00 3.25 H new ATOM 0 HG SER A 66 -7.053 9.485 13.403 1.00 63.51 H new ATOM 949 N GLU A 67 -1.999 9.800 12.144 1.00 21.20 N ATOM 950 CA GLU A 67 -0.884 10.604 11.658 1.00 11.41 C ATOM 951 C GLU A 67 -1.272 12.078 11.576 1.00 41.04 C ATOM 952 O GLU A 67 -0.511 12.906 11.073 1.00 71.44 O ATOM 953 CB GLU A 67 -0.428 10.108 10.284 1.00 35.03 C ATOM 954 CG GLU A 67 1.059 9.810 10.208 1.00 64.33 C ATOM 955 CD GLU A 67 1.565 9.725 8.780 1.00 13.25 C ATOM 956 OE1 GLU A 67 0.742 9.868 7.851 1.00 23.43 O ATOM 957 OE2 GLU A 67 2.781 9.517 8.593 1.00 63.45 O ATOM 0 H GLU A 67 -1.875 9.433 13.088 1.00 21.20 H new ATOM 0 HA GLU A 67 -0.060 10.501 12.364 1.00 11.41 H new ATOM 0 HB2 GLU A 67 -0.984 9.206 10.030 1.00 35.03 H new ATOM 0 HB3 GLU A 67 -0.678 10.859 9.534 1.00 35.03 H new ATOM 0 HG2 GLU A 67 1.609 10.587 10.739 1.00 64.33 H new ATOM 0 HG3 GLU A 67 1.264 8.869 10.719 1.00 64.33 H new ATOM 964 N THR A 68 -2.462 12.399 12.073 1.00 54.42 N ATOM 965 CA THR A 68 -2.953 13.771 12.054 1.00 12.54 C ATOM 966 C THR A 68 -3.499 14.178 13.418 1.00 12.52 C ATOM 967 O THR A 68 -4.003 15.289 13.591 1.00 24.31 O ATOM 968 CB THR A 68 -4.056 13.959 10.996 1.00 51.44 C ATOM 969 OG1 THR A 68 -5.277 13.363 11.449 1.00 42.54 O ATOM 970 CG2 THR A 68 -3.644 13.338 9.669 1.00 14.53 C ATOM 0 H THR A 68 -3.104 11.727 12.494 1.00 54.42 H new ATOM 0 HA THR A 68 -2.105 14.406 11.800 1.00 12.54 H new ATOM 0 HB THR A 68 -4.208 15.028 10.848 1.00 51.44 H new ATOM 0 HG1 THR A 68 -5.974 13.489 10.771 1.00 42.54 H new ATOM 0 HG21 THR A 68 -4.439 13.483 8.937 1.00 14.53 H new ATOM 0 HG22 THR A 68 -2.731 13.814 9.312 1.00 14.53 H new ATOM 0 HG23 THR A 68 -3.467 12.271 9.806 1.00 14.53 H new ATOM 978 N LYS A 69 -3.396 13.273 14.386 1.00 53.55 N ATOM 979 CA LYS A 69 -3.878 13.538 15.736 1.00 1.20 C ATOM 980 C LYS A 69 -2.739 14.000 16.639 1.00 2.31 C ATOM 981 O LYS A 69 -2.536 15.198 16.835 1.00 64.22 O ATOM 982 CB LYS A 69 -4.531 12.284 16.322 1.00 43.21 C ATOM 983 CG LYS A 69 -5.933 12.027 15.798 1.00 61.02 C ATOM 984 CD LYS A 69 -6.826 11.424 16.868 1.00 35.44 C ATOM 985 CE LYS A 69 -8.170 10.997 16.298 1.00 53.24 C ATOM 986 NZ LYS A 69 -9.229 12.012 16.555 1.00 52.24 N ATOM 0 H LYS A 69 -2.983 12.349 14.260 1.00 53.55 H new ATOM 0 HA LYS A 69 -4.620 14.334 15.680 1.00 1.20 H new ATOM 0 HB2 LYS A 69 -3.905 11.420 16.099 1.00 43.21 H new ATOM 0 HB3 LYS A 69 -4.569 12.378 17.407 1.00 43.21 H new ATOM 0 HG2 LYS A 69 -6.367 12.962 15.445 1.00 61.02 H new ATOM 0 HG3 LYS A 69 -5.885 11.354 14.942 1.00 61.02 H new ATOM 0 HD2 LYS A 69 -6.329 10.563 17.315 1.00 35.44 H new ATOM 0 HD3 LYS A 69 -6.982 12.151 17.665 1.00 35.44 H new ATOM 0 HE2 LYS A 69 -8.074 10.836 15.224 1.00 53.24 H new ATOM 0 HE3 LYS A 69 -8.465 10.045 16.738 1.00 53.24 H new ATOM 0 HZ1 LYS A 69 -10.130 11.684 16.151 1.00 52.24 H new ATOM 0 HZ2 LYS A 69 -9.338 12.148 17.580 1.00 52.24 H new ATOM 0 HZ3 LYS A 69 -8.960 12.914 16.113 1.00 52.24 H new ATOM 1000 N GLY A 70 -1.997 13.042 17.186 1.00 31.12 N ATOM 1001 CA GLY A 70 -0.887 13.371 18.061 1.00 43.33 C ATOM 1002 C GLY A 70 -1.321 13.568 19.500 1.00 64.42 C ATOM 1003 O GLY A 70 -0.489 13.773 20.385 1.00 65.34 O ATOM 0 H GLY A 70 -2.145 12.044 17.039 1.00 31.12 H new ATOM 0 HA2 GLY A 70 -0.144 12.575 18.015 1.00 43.33 H new ATOM 0 HA3 GLY A 70 -0.403 14.280 17.703 1.00 43.33 H new ATOM 1007 N LEU A 71 -2.626 13.507 19.736 1.00 75.33 N ATOM 1008 CA LEU A 71 -3.170 13.681 21.078 1.00 34.01 C ATOM 1009 C LEU A 71 -2.339 12.920 22.106 1.00 61.24 C ATOM 1010 O LEU A 71 -1.808 11.847 21.819 1.00 73.45 O ATOM 1011 CB LEU A 71 -4.623 13.205 21.127 1.00 72.41 C ATOM 1012 CG LEU A 71 -4.831 11.691 21.195 1.00 54.32 C ATOM 1013 CD1 LEU A 71 -4.877 11.223 22.641 1.00 65.00 C ATOM 1014 CD2 LEU A 71 -6.106 11.295 20.464 1.00 61.01 C ATOM 0 H LEU A 71 -3.328 13.338 19.015 1.00 75.33 H new ATOM 0 HA LEU A 71 -3.133 14.743 21.323 1.00 34.01 H new ATOM 0 HB2 LEU A 71 -5.103 13.657 21.995 1.00 72.41 H new ATOM 0 HB3 LEU A 71 -5.138 13.583 20.244 1.00 72.41 H new ATOM 0 HG LEU A 71 -3.988 11.205 20.704 1.00 54.32 H new ATOM 0 HD11 LEU A 71 -5.026 10.144 22.670 1.00 65.00 H new ATOM 0 HD12 LEU A 71 -3.938 11.473 23.134 1.00 65.00 H new ATOM 0 HD13 LEU A 71 -5.701 11.716 23.157 1.00 65.00 H new ATOM 0 HD21 LEU A 71 -6.238 10.215 20.522 1.00 61.01 H new ATOM 0 HD22 LEU A 71 -6.960 11.791 20.927 1.00 61.01 H new ATOM 0 HD23 LEU A 71 -6.035 11.596 19.419 1.00 61.01 H new ATOM 1026 N VAL A 72 -2.231 13.482 23.306 1.00 71.54 N ATOM 1027 CA VAL A 72 -1.467 12.854 24.377 1.00 12.45 C ATOM 1028 C VAL A 72 -2.348 12.577 25.590 1.00 32.23 C ATOM 1029 O VAL A 72 -3.063 13.458 26.068 1.00 51.40 O ATOM 1030 CB VAL A 72 -0.280 13.735 24.810 1.00 41.10 C ATOM 1031 CG1 VAL A 72 -0.742 15.158 25.085 1.00 34.21 C ATOM 1032 CG2 VAL A 72 0.405 13.143 26.032 1.00 31.43 C ATOM 0 H VAL A 72 -2.663 14.370 23.560 1.00 71.54 H new ATOM 0 HA VAL A 72 -1.086 11.911 23.984 1.00 12.45 H new ATOM 0 HB VAL A 72 0.443 13.765 23.995 1.00 41.10 H new ATOM 0 HG11 VAL A 72 0.111 15.765 25.390 1.00 34.21 H new ATOM 0 HG12 VAL A 72 -1.182 15.579 24.181 1.00 34.21 H new ATOM 0 HG13 VAL A 72 -1.486 15.151 25.882 1.00 34.21 H new ATOM 0 HG21 VAL A 72 1.241 13.778 26.324 1.00 31.43 H new ATOM 0 HG22 VAL A 72 -0.308 13.081 26.854 1.00 31.43 H new ATOM 0 HG23 VAL A 72 0.773 12.145 25.795 1.00 31.43 H new ATOM 1042 N THR A 73 -2.292 11.344 26.086 1.00 11.41 N ATOM 1043 CA THR A 73 -3.085 10.949 27.243 1.00 11.32 C ATOM 1044 C THR A 73 -2.192 10.581 28.422 1.00 4.43 C ATOM 1045 O THR A 73 -1.060 10.136 28.240 1.00 25.55 O ATOM 1046 CB THR A 73 -4.001 9.755 26.915 1.00 22.14 C ATOM 1047 OG1 THR A 73 -4.634 9.957 25.647 1.00 63.41 O ATOM 1048 CG2 THR A 73 -5.059 9.573 27.993 1.00 73.23 C ATOM 0 H THR A 73 -1.705 10.602 25.704 1.00 11.41 H new ATOM 0 HA THR A 73 -3.701 11.807 27.512 1.00 11.32 H new ATOM 0 HB THR A 73 -3.388 8.855 26.875 1.00 22.14 H new ATOM 0 HG1 THR A 73 -5.098 9.136 25.378 1.00 63.41 H new ATOM 0 HG21 THR A 73 -5.694 8.724 27.740 1.00 73.23 H new ATOM 0 HG22 THR A 73 -4.574 9.390 28.952 1.00 73.23 H new ATOM 0 HG23 THR A 73 -5.668 10.474 28.061 1.00 73.23 H new ATOM 1056 N GLY A 74 -2.709 10.771 29.633 1.00 63.44 N ATOM 1057 CA GLY A 74 -1.944 10.453 30.824 1.00 23.31 C ATOM 1058 C GLY A 74 -2.563 9.326 31.627 1.00 22.02 C ATOM 1059 O GLY A 74 -3.760 9.061 31.516 1.00 72.00 O ATOM 0 H GLY A 74 -3.644 11.139 29.810 1.00 63.44 H new ATOM 0 HA2 GLY A 74 -0.930 10.176 30.537 1.00 23.31 H new ATOM 0 HA3 GLY A 74 -1.867 11.342 31.451 1.00 23.31 H new ATOM 1063 N ILE A 75 -1.746 8.660 32.437 1.00 51.33 N ATOM 1064 CA ILE A 75 -2.221 7.556 33.261 1.00 71.35 C ATOM 1065 C ILE A 75 -2.465 8.006 34.697 1.00 52.43 C ATOM 1066 O ILE A 75 -3.486 7.673 35.297 1.00 12.24 O ATOM 1067 CB ILE A 75 -1.220 6.386 33.265 1.00 63.52 C ATOM 1068 CG1 ILE A 75 -1.031 5.842 31.847 1.00 4.30 C ATOM 1069 CG2 ILE A 75 -1.696 5.284 34.201 1.00 42.54 C ATOM 1070 CD1 ILE A 75 -2.279 5.212 31.270 1.00 25.51 C ATOM 0 H ILE A 75 -0.752 8.866 32.540 1.00 51.33 H new ATOM 0 HA ILE A 75 -3.161 7.219 32.824 1.00 71.35 H new ATOM 0 HB ILE A 75 -0.258 6.752 33.625 1.00 63.52 H new ATOM 0 HG12 ILE A 75 -0.709 6.654 31.195 1.00 4.30 H new ATOM 0 HG13 ILE A 75 -0.230 5.102 31.854 1.00 4.30 H new ATOM 0 HG21 ILE A 75 -0.978 4.464 34.193 1.00 42.54 H new ATOM 0 HG22 ILE A 75 -1.784 5.679 35.213 1.00 42.54 H new ATOM 0 HG23 ILE A 75 -2.668 4.919 33.868 1.00 42.54 H new ATOM 0 HD11 ILE A 75 -2.071 4.849 30.264 1.00 25.51 H new ATOM 0 HD12 ILE A 75 -2.590 4.378 31.900 1.00 25.51 H new ATOM 0 HD13 ILE A 75 -3.076 5.954 31.230 1.00 25.51 H new ATOM 1082 N ALA A 76 -1.521 8.768 35.241 1.00 75.33 N ATOM 1083 CA ALA A 76 -1.636 9.268 36.605 1.00 63.10 C ATOM 1084 C ALA A 76 -1.560 10.791 36.640 1.00 65.53 C ATOM 1085 O ALA A 76 -1.345 11.434 35.613 1.00 54.44 O ATOM 1086 CB ALA A 76 -0.549 8.663 37.482 1.00 50.15 C ATOM 0 H ALA A 76 -0.669 9.052 34.758 1.00 75.33 H new ATOM 0 HA ALA A 76 -2.610 8.970 36.994 1.00 63.10 H new ATOM 0 HB1 ALA A 76 -0.647 9.045 38.498 1.00 50.15 H new ATOM 0 HB2 ALA A 76 -0.651 7.578 37.491 1.00 50.15 H new ATOM 0 HB3 ALA A 76 0.430 8.932 37.086 1.00 50.15 H new ATOM 1092 N SER A 77 -1.737 11.360 37.827 1.00 1.53 N ATOM 1093 CA SER A 77 -1.693 12.808 37.995 1.00 42.44 C ATOM 1094 C SER A 77 -0.273 13.334 37.809 1.00 65.35 C ATOM 1095 O SER A 77 0.615 12.610 37.359 1.00 50.25 O ATOM 1096 CB SER A 77 -2.216 13.199 39.378 1.00 11.30 C ATOM 1097 OG SER A 77 -1.280 12.869 40.389 1.00 32.24 O ATOM 0 H SER A 77 -1.912 10.841 38.687 1.00 1.53 H new ATOM 0 HA SER A 77 -2.331 13.256 37.233 1.00 42.44 H new ATOM 0 HB2 SER A 77 -2.421 14.269 39.403 1.00 11.30 H new ATOM 0 HB3 SER A 77 -3.160 12.689 39.571 1.00 11.30 H new ATOM 0 HG SER A 77 -1.637 13.130 41.263 1.00 32.24 H new ATOM 1103 N GLY A 78 -0.066 14.600 38.159 1.00 63.43 N ATOM 1104 CA GLY A 78 1.248 15.202 38.023 1.00 32.32 C ATOM 1105 C GLY A 78 1.293 16.255 36.934 1.00 2.23 C ATOM 1106 O GLY A 78 0.295 16.503 36.259 1.00 20.22 O ATOM 0 H GLY A 78 -0.784 15.219 38.534 1.00 63.43 H new ATOM 0 HA2 GLY A 78 1.538 15.653 38.972 1.00 32.32 H new ATOM 0 HA3 GLY A 78 1.980 14.424 37.803 1.00 32.32 H new ATOM 1110 N ASN A 79 2.455 16.878 36.764 1.00 13.41 N ATOM 1111 CA ASN A 79 2.625 17.913 35.751 1.00 45.23 C ATOM 1112 C ASN A 79 3.670 17.497 34.719 1.00 1.44 C ATOM 1113 O ASN A 79 4.752 18.078 34.626 1.00 54.23 O ATOM 1114 CB ASN A 79 3.036 19.234 36.405 1.00 51.01 C ATOM 1115 CG ASN A 79 1.968 19.774 37.337 1.00 42.04 C ATOM 1116 OD1 ASN A 79 0.952 20.308 36.891 1.00 3.13 O ATOM 1117 ND2 ASN A 79 2.194 19.637 38.638 1.00 45.11 N ATOM 0 H ASN A 79 3.292 16.684 37.314 1.00 13.41 H new ATOM 0 HA ASN A 79 1.671 18.049 35.242 1.00 45.23 H new ATOM 0 HB2 ASN A 79 3.961 19.088 36.963 1.00 51.01 H new ATOM 0 HB3 ASN A 79 3.244 19.971 35.629 1.00 51.01 H new ATOM 0 HD21 ASN A 79 1.511 19.981 39.313 1.00 45.11 H new ATOM 0 HD22 ASN A 79 3.050 19.188 38.962 1.00 45.11 H new ATOM 1124 N PRO A 80 3.341 16.468 33.925 1.00 34.35 N ATOM 1125 CA PRO A 80 4.236 15.952 32.886 1.00 71.32 C ATOM 1126 C PRO A 80 4.395 16.925 31.723 1.00 60.35 C ATOM 1127 O PRO A 80 3.531 17.769 31.483 1.00 42.15 O ATOM 1128 CB PRO A 80 3.538 14.671 32.420 1.00 1.32 C ATOM 1129 CG PRO A 80 2.098 14.889 32.734 1.00 41.11 C ATOM 1130 CD PRO A 80 2.068 15.728 33.981 1.00 4.24 C ATOM 0 HA PRO A 80 5.246 15.790 33.262 1.00 71.32 H new ATOM 0 HB2 PRO A 80 3.690 14.503 31.354 1.00 1.32 H new ATOM 0 HB3 PRO A 80 3.928 13.796 32.939 1.00 1.32 H new ATOM 0 HG2 PRO A 80 1.592 15.394 31.912 1.00 41.11 H new ATOM 0 HG3 PRO A 80 1.585 13.940 32.890 1.00 41.11 H new ATOM 0 HD2 PRO A 80 1.211 16.402 33.991 1.00 4.24 H new ATOM 0 HD3 PRO A 80 2.000 15.112 34.878 1.00 4.24 H new ATOM 1138 N THR A 81 5.505 16.801 31.001 1.00 0.53 N ATOM 1139 CA THR A 81 5.778 17.670 29.863 1.00 14.44 C ATOM 1140 C THR A 81 5.860 16.871 28.568 1.00 25.43 C ATOM 1141 O THR A 81 6.639 15.922 28.463 1.00 54.15 O ATOM 1142 CB THR A 81 7.091 18.452 30.056 1.00 53.35 C ATOM 1143 OG1 THR A 81 7.501 18.392 31.426 1.00 13.22 O ATOM 1144 CG2 THR A 81 6.922 19.904 29.635 1.00 44.45 C ATOM 0 H THR A 81 6.229 16.107 31.185 1.00 0.53 H new ATOM 0 HA THR A 81 4.950 18.376 29.798 1.00 14.44 H new ATOM 0 HB THR A 81 7.856 17.994 29.429 1.00 53.35 H new ATOM 0 HG1 THR A 81 8.337 18.890 31.539 1.00 13.22 H new ATOM 0 HG21 THR A 81 7.862 20.437 29.780 1.00 44.45 H new ATOM 0 HG22 THR A 81 6.639 19.947 28.583 1.00 44.45 H new ATOM 0 HG23 THR A 81 6.144 20.370 30.240 1.00 44.45 H new ATOM 1152 N ILE A 82 5.055 17.259 27.586 1.00 51.32 N ATOM 1153 CA ILE A 82 5.039 16.579 26.297 1.00 64.31 C ATOM 1154 C ILE A 82 5.966 17.267 25.301 1.00 63.03 C ATOM 1155 O ILE A 82 5.676 18.364 24.823 1.00 52.10 O ATOM 1156 CB ILE A 82 3.618 16.525 25.706 1.00 62.31 C ATOM 1157 CG1 ILE A 82 2.656 15.862 26.694 1.00 2.21 C ATOM 1158 CG2 ILE A 82 3.624 15.777 24.381 1.00 34.41 C ATOM 1159 CD1 ILE A 82 1.578 16.793 27.204 1.00 25.25 C ATOM 0 H ILE A 82 4.405 18.041 27.658 1.00 51.32 H new ATOM 0 HA ILE A 82 5.389 15.562 26.473 1.00 64.31 H new ATOM 0 HB ILE A 82 3.277 17.544 25.524 1.00 62.31 H new ATOM 0 HG12 ILE A 82 2.186 15.005 26.212 1.00 2.21 H new ATOM 0 HG13 ILE A 82 3.225 15.479 27.541 1.00 2.21 H new ATOM 0 HG21 ILE A 82 2.613 15.747 23.976 1.00 34.41 H new ATOM 0 HG22 ILE A 82 4.282 16.288 23.678 1.00 34.41 H new ATOM 0 HG23 ILE A 82 3.982 14.760 24.539 1.00 34.41 H new ATOM 0 HD11 ILE A 82 0.933 16.256 27.899 1.00 25.25 H new ATOM 0 HD12 ILE A 82 2.039 17.638 27.715 1.00 25.25 H new ATOM 0 HD13 ILE A 82 0.984 17.156 26.365 1.00 25.25 H new ATOM 1171 N ILE A 83 7.082 16.615 24.991 1.00 74.44 N ATOM 1172 CA ILE A 83 8.050 17.163 24.049 1.00 73.53 C ATOM 1173 C ILE A 83 8.020 16.404 22.726 1.00 23.43 C ATOM 1174 O ILE A 83 8.176 15.183 22.696 1.00 51.32 O ATOM 1175 CB ILE A 83 9.479 17.119 24.621 1.00 72.00 C ATOM 1176 CG1 ILE A 83 9.509 17.734 26.022 1.00 65.51 C ATOM 1177 CG2 ILE A 83 10.442 17.847 23.696 1.00 42.41 C ATOM 1178 CD1 ILE A 83 9.046 19.173 26.061 1.00 70.14 C ATOM 0 H ILE A 83 7.338 15.707 25.379 1.00 74.44 H new ATOM 0 HA ILE A 83 7.769 18.202 23.876 1.00 73.53 H new ATOM 0 HB ILE A 83 9.794 16.078 24.694 1.00 72.00 H new ATOM 0 HG12 ILE A 83 8.879 17.140 26.684 1.00 65.51 H new ATOM 0 HG13 ILE A 83 10.525 17.677 26.413 1.00 65.51 H new ATOM 0 HG21 ILE A 83 11.448 17.807 24.114 1.00 42.41 H new ATOM 0 HG22 ILE A 83 10.437 17.369 22.716 1.00 42.41 H new ATOM 0 HG23 ILE A 83 10.132 18.887 23.594 1.00 42.41 H new ATOM 0 HD11 ILE A 83 9.094 19.543 27.085 1.00 70.14 H new ATOM 0 HD12 ILE A 83 9.691 19.780 25.425 1.00 70.14 H new ATOM 0 HD13 ILE A 83 8.019 19.235 25.701 1.00 70.14 H new ATOM 1190 N ALA A 84 7.821 17.135 21.635 1.00 45.22 N ATOM 1191 CA ALA A 84 7.776 16.532 20.309 1.00 72.13 C ATOM 1192 C ALA A 84 9.017 16.892 19.499 1.00 73.32 C ATOM 1193 O ALA A 84 9.383 18.063 19.390 1.00 31.45 O ATOM 1194 CB ALA A 84 6.518 16.969 19.573 1.00 51.31 C ATOM 0 H ALA A 84 7.688 18.146 21.643 1.00 45.22 H new ATOM 0 HA ALA A 84 7.755 15.449 20.430 1.00 72.13 H new ATOM 0 HB1 ALA A 84 6.497 16.511 18.584 1.00 51.31 H new ATOM 0 HB2 ALA A 84 5.639 16.655 20.136 1.00 51.31 H new ATOM 0 HB3 ALA A 84 6.515 18.054 19.471 1.00 51.31 H new ATOM 1200 N THR A 85 9.662 15.877 18.931 1.00 1.42 N ATOM 1201 CA THR A 85 10.863 16.087 18.133 1.00 62.42 C ATOM 1202 C THR A 85 10.715 15.473 16.745 1.00 13.41 C ATOM 1203 O THR A 85 10.487 14.271 16.608 1.00 3.12 O ATOM 1204 CB THR A 85 12.105 15.485 18.817 1.00 32.34 C ATOM 1205 OG1 THR A 85 11.804 15.159 20.179 1.00 72.42 O ATOM 1206 CG2 THR A 85 13.274 16.457 18.770 1.00 13.11 C ATOM 0 H THR A 85 9.372 14.902 19.009 1.00 1.42 H new ATOM 0 HA THR A 85 10.995 17.165 18.039 1.00 62.42 H new ATOM 0 HB THR A 85 12.385 14.579 18.280 1.00 32.34 H new ATOM 0 HG1 THR A 85 12.598 14.775 20.607 1.00 72.42 H new ATOM 0 HG21 THR A 85 14.139 16.009 19.259 1.00 13.11 H new ATOM 0 HG22 THR A 85 13.520 16.681 17.732 1.00 13.11 H new ATOM 0 HG23 THR A 85 13.002 17.378 19.285 1.00 13.11 H new ATOM 1214 N TYR A 86 10.845 16.306 15.719 1.00 43.15 N ATOM 1215 CA TYR A 86 10.724 15.845 14.340 1.00 11.55 C ATOM 1216 C TYR A 86 11.497 16.756 13.392 1.00 63.15 C ATOM 1217 O TYR A 86 11.152 17.923 13.214 1.00 5.41 O ATOM 1218 CB TYR A 86 9.252 15.791 13.927 1.00 43.14 C ATOM 1219 CG TYR A 86 9.030 15.185 12.559 1.00 12.23 C ATOM 1220 CD1 TYR A 86 9.802 14.118 12.117 1.00 71.10 C ATOM 1221 CD2 TYR A 86 8.049 15.680 11.709 1.00 14.35 C ATOM 1222 CE1 TYR A 86 9.603 13.561 10.868 1.00 12.43 C ATOM 1223 CE2 TYR A 86 7.841 15.129 10.460 1.00 45.12 C ATOM 1224 CZ TYR A 86 8.621 14.070 10.044 1.00 41.23 C ATOM 1225 OH TYR A 86 8.419 13.519 8.799 1.00 51.30 O ATOM 0 H TYR A 86 11.034 17.304 15.815 1.00 43.15 H new ATOM 0 HA TYR A 86 11.149 14.843 14.279 1.00 11.55 H new ATOM 0 HB2 TYR A 86 8.697 15.213 14.666 1.00 43.14 H new ATOM 0 HB3 TYR A 86 8.842 16.801 13.939 1.00 43.14 H new ATOM 0 HD1 TYR A 86 10.571 13.717 12.761 1.00 71.10 H new ATOM 0 HD2 TYR A 86 7.438 16.511 12.031 1.00 14.35 H new ATOM 0 HE1 TYR A 86 10.213 12.732 10.539 1.00 12.43 H new ATOM 0 HE2 TYR A 86 7.072 15.525 9.813 1.00 45.12 H new ATOM 0 HH TYR A 86 7.587 13.869 8.418 1.00 51.30 H new ATOM 1235 N GLY A 87 12.546 16.211 12.783 1.00 44.13 N ATOM 1236 CA GLY A 87 13.353 16.987 11.859 1.00 61.44 C ATOM 1237 C GLY A 87 14.100 18.113 12.545 1.00 15.22 C ATOM 1238 O GLY A 87 14.851 17.882 13.493 1.00 52.35 O ATOM 0 H GLY A 87 12.851 15.246 12.913 1.00 44.13 H new ATOM 0 HA2 GLY A 87 14.068 16.329 11.365 1.00 61.44 H new ATOM 0 HA3 GLY A 87 12.712 17.402 11.081 1.00 61.44 H new ATOM 1242 N SER A 88 13.894 19.336 12.066 1.00 61.33 N ATOM 1243 CA SER A 88 14.558 20.502 12.636 1.00 12.11 C ATOM 1244 C SER A 88 13.577 21.343 13.448 1.00 72.52 C ATOM 1245 O SER A 88 13.909 22.436 13.906 1.00 22.32 O ATOM 1246 CB SER A 88 15.181 21.353 11.528 1.00 0.31 C ATOM 1247 OG SER A 88 16.013 20.570 10.690 1.00 72.11 O ATOM 0 H SER A 88 13.272 19.545 11.285 1.00 61.33 H new ATOM 0 HA SER A 88 15.347 20.151 13.302 1.00 12.11 H new ATOM 0 HB2 SER A 88 14.393 21.815 10.934 1.00 0.31 H new ATOM 0 HB3 SER A 88 15.763 22.162 11.970 1.00 0.31 H new ATOM 0 HG SER A 88 16.398 21.137 9.989 1.00 72.11 H new ATOM 1253 N VAL A 89 12.365 20.824 13.621 1.00 24.34 N ATOM 1254 CA VAL A 89 11.335 21.524 14.378 1.00 11.34 C ATOM 1255 C VAL A 89 10.791 20.652 15.504 1.00 74.33 C ATOM 1256 O VAL A 89 10.652 19.438 15.351 1.00 44.13 O ATOM 1257 CB VAL A 89 10.169 21.958 13.470 1.00 11.44 C ATOM 1258 CG1 VAL A 89 9.170 22.801 14.249 1.00 22.44 C ATOM 1259 CG2 VAL A 89 10.691 22.719 12.261 1.00 72.45 C ATOM 0 H VAL A 89 12.073 19.921 13.247 1.00 24.34 H new ATOM 0 HA VAL A 89 11.804 22.411 14.804 1.00 11.34 H new ATOM 0 HB VAL A 89 9.656 21.064 13.115 1.00 11.44 H new ATOM 0 HG11 VAL A 89 8.353 23.098 13.591 1.00 22.44 H new ATOM 0 HG12 VAL A 89 8.773 22.219 15.080 1.00 22.44 H new ATOM 0 HG13 VAL A 89 9.667 23.691 14.635 1.00 22.44 H new ATOM 0 HG21 VAL A 89 9.854 23.018 11.630 1.00 72.45 H new ATOM 0 HG22 VAL A 89 11.229 23.606 12.594 1.00 72.45 H new ATOM 0 HG23 VAL A 89 11.364 22.079 11.691 1.00 72.45 H new ATOM 1269 N SER A 90 10.483 21.278 16.635 1.00 55.22 N ATOM 1270 CA SER A 90 9.956 20.558 17.788 1.00 11.34 C ATOM 1271 C SER A 90 8.780 21.308 18.406 1.00 11.44 C ATOM 1272 O SER A 90 8.657 22.524 18.258 1.00 22.53 O ATOM 1273 CB SER A 90 11.054 20.357 18.835 1.00 75.30 C ATOM 1274 OG SER A 90 11.961 21.445 18.839 1.00 51.25 O ATOM 0 H SER A 90 10.589 22.282 16.778 1.00 55.22 H new ATOM 0 HA SER A 90 9.605 19.584 17.448 1.00 11.34 H new ATOM 0 HB2 SER A 90 10.604 20.251 19.822 1.00 75.30 H new ATOM 0 HB3 SER A 90 11.592 19.432 18.629 1.00 75.30 H new ATOM 0 HG SER A 90 12.651 21.293 19.518 1.00 51.25 H new ATOM 1280 N GLY A 91 7.916 20.574 19.101 1.00 61.55 N ATOM 1281 CA GLY A 91 6.761 21.185 19.731 1.00 74.12 C ATOM 1282 C GLY A 91 6.739 20.972 21.232 1.00 53.55 C ATOM 1283 O GLY A 91 7.453 20.118 21.755 1.00 53.05 O ATOM 0 H GLY A 91 7.996 19.567 19.239 1.00 61.55 H new ATOM 0 HA2 GLY A 91 6.758 22.254 19.519 1.00 74.12 H new ATOM 0 HA3 GLY A 91 5.852 20.771 19.295 1.00 74.12 H new ATOM 1287 N ASN A 92 5.918 21.753 21.926 1.00 12.52 N ATOM 1288 CA ASN A 92 5.808 21.648 23.377 1.00 54.23 C ATOM 1289 C ASN A 92 4.350 21.728 23.819 1.00 54.23 C ATOM 1290 O ASN A 92 3.628 22.658 23.455 1.00 64.11 O ATOM 1291 CB ASN A 92 6.619 22.756 24.052 1.00 34.23 C ATOM 1292 CG ASN A 92 6.154 24.141 23.647 1.00 3.52 C ATOM 1293 OD1 ASN A 92 6.150 24.486 22.465 1.00 35.22 O ATOM 1294 ND2 ASN A 92 5.761 24.944 24.629 1.00 3.23 N ATOM 0 H ASN A 92 5.319 22.465 21.508 1.00 12.52 H new ATOM 0 HA ASN A 92 6.208 20.680 23.678 1.00 54.23 H new ATOM 0 HB2 ASN A 92 6.541 22.652 25.134 1.00 34.23 H new ATOM 0 HB3 ASN A 92 7.672 22.640 23.795 1.00 34.23 H new ATOM 0 HD21 ASN A 92 5.439 25.889 24.418 1.00 3.23 H new ATOM 0 HD22 ASN A 92 5.781 24.616 25.595 1.00 3.23 H new ATOM 1301 N THR A 93 3.921 20.747 24.607 1.00 60.02 N ATOM 1302 CA THR A 93 2.550 20.705 25.099 1.00 53.35 C ATOM 1303 C THR A 93 2.506 20.332 26.576 1.00 64.22 C ATOM 1304 O THR A 93 3.028 19.291 26.978 1.00 51.40 O ATOM 1305 CB THR A 93 1.697 19.700 24.301 1.00 24.13 C ATOM 1306 OG1 THR A 93 2.304 19.443 23.030 1.00 24.42 O ATOM 1307 CG2 THR A 93 0.286 20.229 24.097 1.00 10.41 C ATOM 0 H THR A 93 4.504 19.970 24.918 1.00 60.02 H new ATOM 0 HA THR A 93 2.137 21.705 24.968 1.00 53.35 H new ATOM 0 HB THR A 93 1.641 18.772 24.871 1.00 24.13 H new ATOM 0 HG1 THR A 93 1.757 18.802 22.530 1.00 24.42 H new ATOM 0 HG21 THR A 93 -0.297 19.502 23.531 1.00 10.41 H new ATOM 0 HG22 THR A 93 -0.184 20.395 25.066 1.00 10.41 H new ATOM 0 HG23 THR A 93 0.326 21.169 23.547 1.00 10.41 H new ATOM 1315 N ILE A 94 1.882 21.186 27.379 1.00 15.01 N ATOM 1316 CA ILE A 94 1.769 20.944 28.812 1.00 21.30 C ATOM 1317 C ILE A 94 0.357 20.507 29.187 1.00 70.14 C ATOM 1318 O ILE A 94 -0.627 21.073 28.709 1.00 72.35 O ATOM 1319 CB ILE A 94 2.139 22.198 29.626 1.00 63.22 C ATOM 1320 CG1 ILE A 94 1.094 23.296 29.416 1.00 64.44 C ATOM 1321 CG2 ILE A 94 3.523 22.694 29.234 1.00 0.00 C ATOM 1322 CD1 ILE A 94 1.412 24.580 30.149 1.00 53.13 C ATOM 0 H ILE A 94 1.447 22.052 27.062 1.00 15.01 H new ATOM 0 HA ILE A 94 2.470 20.145 29.052 1.00 21.30 H new ATOM 0 HB ILE A 94 2.154 21.935 30.684 1.00 63.22 H new ATOM 0 HG12 ILE A 94 1.010 23.507 28.350 1.00 64.44 H new ATOM 0 HG13 ILE A 94 0.122 22.930 29.746 1.00 64.44 H new ATOM 0 HG21 ILE A 94 3.771 23.581 29.818 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.258 21.914 29.430 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.533 22.944 28.173 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.629 25.313 29.955 1.00 53.13 H new ATOM 0 HD12 ILE A 94 1.468 24.384 31.220 1.00 53.13 H new ATOM 0 HD13 ILE A 94 2.369 24.970 29.802 1.00 53.13 H new ATOM 1334 N LEU A 95 0.264 19.498 30.046 1.00 42.02 N ATOM 1335 CA LEU A 95 -1.028 18.985 30.487 1.00 13.53 C ATOM 1336 C LEU A 95 -1.076 18.865 32.007 1.00 21.51 C ATOM 1337 O LEU A 95 -0.138 18.368 32.631 1.00 22.54 O ATOM 1338 CB LEU A 95 -1.305 17.624 29.847 1.00 1.10 C ATOM 1339 CG LEU A 95 -2.634 16.966 30.218 1.00 72.42 C ATOM 1340 CD1 LEU A 95 -3.793 17.914 29.952 1.00 45.34 C ATOM 1341 CD2 LEU A 95 -2.819 15.666 29.448 1.00 42.23 C ATOM 0 H LEU A 95 1.068 19.019 30.451 1.00 42.02 H new ATOM 0 HA LEU A 95 -1.797 19.690 30.172 1.00 13.53 H new ATOM 0 HB2 LEU A 95 -1.270 17.740 28.764 1.00 1.10 H new ATOM 0 HB3 LEU A 95 -0.497 16.945 30.121 1.00 1.10 H new ATOM 0 HG LEU A 95 -2.618 16.736 31.283 1.00 72.42 H new ATOM 0 HD11 LEU A 95 -4.730 17.428 30.222 1.00 45.34 H new ATOM 0 HD12 LEU A 95 -3.668 18.818 30.548 1.00 45.34 H new ATOM 0 HD13 LEU A 95 -3.813 18.177 28.894 1.00 45.34 H new ATOM 0 HD21 LEU A 95 -3.770 15.211 29.725 1.00 42.23 H new ATOM 0 HD22 LEU A 95 -2.813 15.873 28.378 1.00 42.23 H new ATOM 0 HD23 LEU A 95 -2.006 14.981 29.689 1.00 42.23 H new ATOM 1353 N THR A 96 -2.176 19.320 32.598 1.00 51.41 N ATOM 1354 CA THR A 96 -2.347 19.263 34.044 1.00 31.41 C ATOM 1355 C THR A 96 -3.295 18.136 34.441 1.00 4.41 C ATOM 1356 O THR A 96 -4.499 18.209 34.195 1.00 23.31 O ATOM 1357 CB THR A 96 -2.888 20.593 34.599 1.00 15.45 C ATOM 1358 OG1 THR A 96 -2.218 21.694 33.975 1.00 75.25 O ATOM 1359 CG2 THR A 96 -2.699 20.668 36.107 1.00 21.30 C ATOM 0 H THR A 96 -2.963 19.733 32.097 1.00 51.41 H new ATOM 0 HA THR A 96 -1.362 19.074 34.472 1.00 31.41 H new ATOM 0 HB THR A 96 -3.954 20.645 34.379 1.00 15.45 H new ATOM 0 HG1 THR A 96 -2.181 22.450 34.598 1.00 75.25 H new ATOM 0 HG21 THR A 96 -3.089 21.617 36.476 1.00 21.30 H new ATOM 0 HG22 THR A 96 -3.235 19.846 36.582 1.00 21.30 H new ATOM 0 HG23 THR A 96 -1.638 20.595 36.345 1.00 21.30 H new ATOM 1367 N VAL A 97 -2.744 17.095 35.057 1.00 3.45 N ATOM 1368 CA VAL A 97 -3.541 15.954 35.491 1.00 63.14 C ATOM 1369 C VAL A 97 -3.535 15.824 37.010 1.00 51.44 C ATOM 1370 O VAL A 97 -2.477 15.803 37.637 1.00 51.51 O ATOM 1371 CB VAL A 97 -3.023 14.641 34.873 1.00 54.34 C ATOM 1372 CG1 VAL A 97 -3.456 14.529 33.419 1.00 63.24 C ATOM 1373 CG2 VAL A 97 -1.510 14.555 34.996 1.00 44.35 C ATOM 0 H VAL A 97 -1.749 17.018 35.267 1.00 3.45 H new ATOM 0 HA VAL A 97 -4.561 16.132 35.149 1.00 63.14 H new ATOM 0 HB VAL A 97 -3.456 13.805 35.422 1.00 54.34 H new ATOM 0 HG11 VAL A 97 -3.081 13.596 32.999 1.00 63.24 H new ATOM 0 HG12 VAL A 97 -4.544 14.542 33.361 1.00 63.24 H new ATOM 0 HG13 VAL A 97 -3.053 15.369 32.854 1.00 63.24 H new ATOM 0 HG21 VAL A 97 -1.162 13.621 34.554 1.00 44.35 H new ATOM 0 HG22 VAL A 97 -1.054 15.396 34.473 1.00 44.35 H new ATOM 0 HG23 VAL A 97 -1.228 14.586 36.048 1.00 44.35 H new ATOM 1383 N ASN A 98 -4.725 15.737 37.595 1.00 52.30 N ATOM 1384 CA ASN A 98 -4.858 15.610 39.042 1.00 62.33 C ATOM 1385 C ASN A 98 -5.543 14.298 39.412 1.00 70.34 C ATOM 1386 O ASN A 98 -6.270 14.222 40.402 1.00 35.40 O ATOM 1387 CB ASN A 98 -5.651 16.789 39.608 1.00 4.41 C ATOM 1388 CG ASN A 98 -5.265 18.107 38.965 1.00 44.40 C ATOM 1389 OD1 ASN A 98 -4.152 18.601 39.153 1.00 34.44 O ATOM 1390 ND2 ASN A 98 -6.185 18.685 38.201 1.00 64.52 N ATOM 0 H ASN A 98 -5.611 15.752 37.090 1.00 52.30 H new ATOM 0 HA ASN A 98 -3.858 15.612 39.475 1.00 62.33 H new ATOM 0 HB2 ASN A 98 -6.716 16.613 39.458 1.00 4.41 H new ATOM 0 HB3 ASN A 98 -5.487 16.851 40.684 1.00 4.41 H new ATOM 0 HD21 ASN A 98 -5.982 19.573 37.743 1.00 64.52 H new ATOM 0 HD22 ASN A 98 -7.094 18.240 38.073 1.00 64.52 H new ATOM 1397 N LYS A 99 -5.305 13.266 38.609 1.00 33.31 N ATOM 1398 CA LYS A 99 -5.897 11.955 38.851 1.00 2.34 C ATOM 1399 C LYS A 99 -5.354 11.343 40.139 1.00 55.11 C ATOM 1400 O LYS A 99 -4.268 10.763 40.154 1.00 73.11 O ATOM 1401 CB LYS A 99 -5.617 11.021 37.672 1.00 22.44 C ATOM 1402 CG LYS A 99 -6.181 9.622 37.857 1.00 4.43 C ATOM 1403 CD LYS A 99 -5.116 8.652 38.341 1.00 75.40 C ATOM 1404 CE LYS A 99 -5.476 8.059 39.695 1.00 54.12 C ATOM 1405 NZ LYS A 99 -6.546 7.029 39.583 1.00 52.21 N ATOM 0 H LYS A 99 -4.706 13.312 37.785 1.00 33.31 H new ATOM 0 HA LYS A 99 -6.974 12.084 38.956 1.00 2.34 H new ATOM 0 HB2 LYS A 99 -6.038 11.457 36.766 1.00 22.44 H new ATOM 0 HB3 LYS A 99 -4.540 10.952 37.521 1.00 22.44 H new ATOM 0 HG2 LYS A 99 -7.001 9.651 38.574 1.00 4.43 H new ATOM 0 HG3 LYS A 99 -6.595 9.268 36.913 1.00 4.43 H new ATOM 0 HD2 LYS A 99 -4.994 7.851 37.612 1.00 75.40 H new ATOM 0 HD3 LYS A 99 -4.158 9.167 38.411 1.00 75.40 H new ATOM 0 HE2 LYS A 99 -4.588 7.613 40.144 1.00 54.12 H new ATOM 0 HE3 LYS A 99 -5.806 8.854 40.364 1.00 54.12 H new ATOM 0 HZ1 LYS A 99 -6.763 6.649 40.527 1.00 52.21 H new ATOM 0 HZ2 LYS A 99 -7.402 7.460 39.178 1.00 52.21 H new ATOM 0 HZ3 LYS A 99 -6.222 6.257 38.966 1.00 52.21 H new ATOM 1419 N THR A 100 -6.118 11.475 41.219 1.00 33.31 N ATOM 1420 CA THR A 100 -5.715 10.934 42.511 1.00 4.41 C ATOM 1421 C THR A 100 -6.902 10.839 43.462 1.00 1.25 C ATOM 1422 O THR A 100 -7.041 9.864 44.201 1.00 74.25 O ATOM 1423 CB THR A 100 -4.617 11.797 43.163 1.00 71.25 C ATOM 1424 OG1 THR A 100 -4.185 12.812 42.250 1.00 54.04 O ATOM 1425 CG2 THR A 100 -3.430 10.940 43.575 1.00 5.31 C ATOM 0 H THR A 100 -7.020 11.952 41.224 1.00 33.31 H new ATOM 0 HA THR A 100 -5.321 9.935 42.326 1.00 4.41 H new ATOM 0 HB THR A 100 -5.034 12.265 44.055 1.00 71.25 H new ATOM 0 HG1 THR A 100 -3.488 13.357 42.672 1.00 54.04 H new ATOM 0 HG21 THR A 100 -2.668 11.570 44.033 1.00 5.31 H new ATOM 0 HG22 THR A 100 -3.757 10.187 44.292 1.00 5.31 H new ATOM 0 HG23 THR A 100 -3.014 10.448 42.696 1.00 5.31 H new ATOM 1433 N ASP A 101 -7.755 11.857 43.440 1.00 51.12 N ATOM 1434 CA ASP A 101 -8.933 11.887 44.300 1.00 45.22 C ATOM 1435 C ASP A 101 -10.023 10.966 43.761 1.00 25.21 C ATOM 1436 O ASP A 101 -10.516 11.154 42.649 1.00 73.34 O ATOM 1437 CB ASP A 101 -9.467 13.315 44.419 1.00 52.23 C ATOM 1438 CG ASP A 101 -10.482 13.462 45.535 1.00 12.22 C ATOM 1439 OD1 ASP A 101 -10.064 13.595 46.704 1.00 24.05 O ATOM 1440 OD2 ASP A 101 -11.695 13.445 45.240 1.00 52.44 O ATOM 0 H ASP A 101 -7.653 12.673 42.836 1.00 51.12 H new ATOM 0 HA ASP A 101 -8.640 11.533 45.289 1.00 45.22 H new ATOM 0 HB2 ASP A 101 -8.635 13.997 44.596 1.00 52.23 H new ATOM 0 HB3 ASP A 101 -9.925 13.609 43.474 1.00 52.23 H new ATOM 1445 N THR A 102 -10.394 9.968 44.557 1.00 23.21 N ATOM 1446 CA THR A 102 -11.423 9.016 44.160 1.00 71.31 C ATOM 1447 C THR A 102 -12.817 9.607 44.337 1.00 41.43 C ATOM 1448 O THR A 102 -13.817 8.987 43.974 1.00 24.30 O ATOM 1449 CB THR A 102 -11.325 7.711 44.972 1.00 20.33 C ATOM 1450 OG1 THR A 102 -10.038 7.616 45.593 1.00 32.14 O ATOM 1451 CG2 THR A 102 -11.554 6.500 44.081 1.00 62.34 C ATOM 0 H THR A 102 -9.997 9.798 45.481 1.00 23.21 H new ATOM 0 HA THR A 102 -11.257 8.793 43.106 1.00 71.31 H new ATOM 0 HB THR A 102 -12.098 7.728 45.740 1.00 20.33 H new ATOM 0 HG1 THR A 102 -9.984 6.784 46.109 1.00 32.14 H new ATOM 0 HG21 THR A 102 -11.480 5.590 44.677 1.00 62.34 H new ATOM 0 HG22 THR A 102 -12.546 6.560 43.633 1.00 62.34 H new ATOM 0 HG23 THR A 102 -10.801 6.480 43.293 1.00 62.34 H new TER 1459 THR A 102