USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=39 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 99 LYS NZ :NH3+ 174:sc= 0.598 (180deg=0.565) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.00028 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.279 K(o=-3.4,f=-4.8) USER MOD Set 2.2: A 59 GLN : amide:sc= -3.72 K(o=-3.4,f=-12!) USER MOD Set 3.1: A 49 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= -0.0724 USER MOD Set 4.1: A 29 SER OG : rot -101:sc= 1.02 USER MOD Set 4.2: A 73 THR OG1 : rot 171:sc= 0.0977 USER MOD Set 5.1: A 23 ASN : amide:sc= -1.93 K(o=-2.4,f=1.5) USER MOD Set 5.2: A 96 THR OG1 : rot -71:sc= -0.44 USER MOD Set 6.1: A 22 THR OG1 : rot -150:sc= 0 USER MOD Set 6.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 14 SER OG : rot 180:sc= -0.126 USER MOD Single : A 1 GLU N :NH3+ -126:sc= -0.127 (180deg=-1.02) USER MOD Single : A 2 ASN : amide:sc= -0.133 K(o=-0.13,f=1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00859 USER MOD Single : A 11 THR OG1 : 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= -0.503 X(o=-0.5,f=-0.74) USER MOD Single : A 25 ASN : amide:sc= -3.12 K(o=-3.1,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 31 GLN : amide:sc= -3.81! C(o=-3.8!,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot 63:sc= 1.11 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.638 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -56:sc= 0.0741 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0681 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 13:sc= 1.17 USER MOD Single : A 55 SER OG : rot 180:sc= 0.105 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -55:sc= 0.0245 USER MOD Single : A 64 ASN : amide:sc= -2.52 K(o=-2.5,f=-8.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.06! C(o=-3.1!,f=-7.9!) 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 X(o=0,f=-0.07) USER MOD Single : A 93 THR OG1 : rot -169:sc= -1.46 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.252 5.937 22.346 1.00 34.11 N ATOM 2 CA GLU A 1 15.945 7.354 22.189 1.00 71.33 C ATOM 3 C GLU A 1 16.520 7.893 20.882 1.00 20.01 C ATOM 4 O GLU A 1 17.698 7.700 20.584 1.00 74.44 O ATOM 5 CB GLU A 1 16.499 8.152 23.371 1.00 53.55 C ATOM 6 CG GLU A 1 15.872 7.780 24.704 1.00 51.43 C ATOM 7 CD GLU A 1 14.598 8.553 24.985 1.00 0.34 C ATOM 8 OE1 GLU A 1 14.655 9.800 25.018 1.00 11.25 O ATOM 9 OE2 GLU A 1 13.544 7.910 25.173 1.00 52.24 O ATOM 0 H1 GLU A 1 15.373 5.408 22.514 1.00 34.11 H new ATOM 0 H2 GLU A 1 16.709 5.583 21.482 1.00 34.11 H new ATOM 0 H3 GLU A 1 16.893 5.808 23.155 1.00 34.11 H new ATOM 0 HA GLU A 1 14.861 7.465 22.162 1.00 71.33 H new ATOM 0 HB2 GLU A 1 17.576 7.997 23.430 1.00 53.55 H new ATOM 0 HB3 GLU A 1 16.339 9.215 23.188 1.00 53.55 H new ATOM 0 HG2 GLU A 1 15.654 6.712 24.713 1.00 51.43 H new ATOM 0 HG3 GLU A 1 16.589 7.966 25.503 1.00 51.43 H new ATOM 16 N ASN A 2 15.679 8.570 20.107 1.00 31.11 N ATOM 17 CA ASN A 2 16.102 9.137 18.832 1.00 64.43 C ATOM 18 C ASN A 2 16.688 8.058 17.925 1.00 1.31 C ATOM 19 O ASN A 2 17.521 8.343 17.064 1.00 73.44 O ATOM 20 CB ASN A 2 17.134 10.243 19.059 1.00 1.21 C ATOM 21 CG ASN A 2 17.095 11.302 17.974 1.00 11.11 C ATOM 22 OD1 ASN A 2 17.221 10.997 16.788 1.00 25.43 O ATOM 23 ND2 ASN A 2 16.919 12.555 18.377 1.00 51.22 N ATOM 0 H ASN A 2 14.700 8.739 20.340 1.00 31.11 H new ATOM 0 HA ASN A 2 15.225 9.562 18.343 1.00 64.43 H new ATOM 0 HB2 ASN A 2 16.954 10.711 20.027 1.00 1.21 H new ATOM 0 HB3 ASN A 2 18.131 9.804 19.098 1.00 1.21 H new ATOM 0 HD21 ASN A 2 16.884 13.311 17.693 1.00 51.22 H new ATOM 0 HD22 ASN A 2 16.819 12.762 19.371 1.00 51.22 H new ATOM 30 N ILE A 3 16.247 6.821 18.125 1.00 12.12 N ATOM 31 CA ILE A 3 16.726 5.701 17.325 1.00 72.11 C ATOM 32 C ILE A 3 15.597 5.094 16.498 1.00 24.44 C ATOM 33 O ILE A 3 15.828 4.552 15.417 1.00 22.01 O ATOM 34 CB ILE A 3 17.348 4.603 18.208 1.00 2.41 C ATOM 35 CG1 ILE A 3 18.048 3.555 17.340 1.00 12.51 C ATOM 36 CG2 ILE A 3 16.281 3.953 19.076 1.00 1.51 C ATOM 37 CD1 ILE A 3 19.177 2.840 18.048 1.00 12.15 C ATOM 0 H ILE A 3 15.559 6.569 18.834 1.00 12.12 H new ATOM 0 HA ILE A 3 17.492 6.095 16.657 1.00 72.11 H new ATOM 0 HB ILE A 3 18.091 5.061 18.861 1.00 2.41 H new ATOM 0 HG12 ILE A 3 17.314 2.820 17.009 1.00 12.51 H new ATOM 0 HG13 ILE A 3 18.440 4.039 16.445 1.00 12.51 H new ATOM 0 HG21 ILE A 3 16.736 3.179 19.694 1.00 1.51 H new ATOM 0 HG22 ILE A 3 15.824 4.707 19.717 1.00 1.51 H new ATOM 0 HG23 ILE A 3 15.517 3.506 18.440 1.00 1.51 H new ATOM 0 HD11 ILE A 3 19.627 2.112 17.373 1.00 12.15 H new ATOM 0 HD12 ILE A 3 19.931 3.565 18.355 1.00 12.15 H new ATOM 0 HD13 ILE A 3 18.788 2.327 18.927 1.00 12.15 H new ATOM 49 N ASP A 4 14.377 5.189 17.014 1.00 52.03 N ATOM 50 CA ASP A 4 13.211 4.652 16.322 1.00 33.41 C ATOM 51 C ASP A 4 12.559 5.717 15.447 1.00 42.55 C ATOM 52 O ASP A 4 11.610 6.382 15.863 1.00 32.25 O ATOM 53 CB ASP A 4 12.196 4.113 17.332 1.00 71.14 C ATOM 54 CG ASP A 4 12.729 2.927 18.112 1.00 52.23 C ATOM 55 OD1 ASP A 4 13.653 2.254 17.610 1.00 41.52 O ATOM 56 OD2 ASP A 4 12.221 2.671 19.224 1.00 52.52 O ATOM 0 H ASP A 4 14.169 5.633 17.909 1.00 52.03 H new ATOM 0 HA ASP A 4 13.544 3.836 15.681 1.00 33.41 H new ATOM 0 HB2 ASP A 4 11.922 4.907 18.026 1.00 71.14 H new ATOM 0 HB3 ASP A 4 11.286 3.820 16.808 1.00 71.14 H new ATOM 61 N ILE A 5 13.076 5.876 14.233 1.00 71.33 N ATOM 62 CA ILE A 5 12.544 6.861 13.299 1.00 22.31 C ATOM 63 C ILE A 5 12.163 6.211 11.973 1.00 41.51 C ATOM 64 O ILE A 5 12.974 5.527 11.348 1.00 52.14 O ATOM 65 CB ILE A 5 13.558 7.989 13.033 1.00 63.22 C ATOM 66 CG1 ILE A 5 13.957 8.666 14.346 1.00 42.05 C ATOM 67 CG2 ILE A 5 12.977 9.005 12.061 1.00 10.24 C ATOM 68 CD1 ILE A 5 12.787 9.259 15.099 1.00 4.13 C ATOM 0 H ILE A 5 13.863 5.335 13.873 1.00 71.33 H new ATOM 0 HA ILE A 5 11.653 7.286 13.761 1.00 22.31 H new ATOM 0 HB ILE A 5 14.452 7.556 12.584 1.00 63.22 H new ATOM 0 HG12 ILE A 5 14.458 7.937 14.984 1.00 42.05 H new ATOM 0 HG13 ILE A 5 14.680 9.454 14.134 1.00 42.05 H new ATOM 0 HG21 ILE A 5 13.705 9.796 11.883 1.00 10.24 H new ATOM 0 HG22 ILE A 5 12.739 8.512 11.118 1.00 10.24 H new ATOM 0 HG23 ILE A 5 12.070 9.436 12.484 1.00 10.24 H new ATOM 0 HD11 ILE A 5 13.144 9.722 16.019 1.00 4.13 H new ATOM 0 HD12 ILE A 5 12.299 10.011 14.479 1.00 4.13 H new ATOM 0 HD13 ILE A 5 12.074 8.471 15.342 1.00 4.13 H new ATOM 80 N THR A 6 10.923 6.432 11.547 1.00 21.00 N ATOM 81 CA THR A 6 10.434 5.870 10.295 1.00 73.53 C ATOM 82 C THR A 6 11.102 6.532 9.096 1.00 43.41 C ATOM 83 O THR A 6 11.742 5.866 8.282 1.00 51.11 O ATOM 84 CB THR A 6 8.907 6.025 10.168 1.00 54.43 C ATOM 85 OG1 THR A 6 8.397 6.778 11.274 1.00 22.14 O ATOM 86 CG2 THR A 6 8.226 4.666 10.116 1.00 23.33 C ATOM 0 H THR A 6 10.239 6.997 12.051 1.00 21.00 H new ATOM 0 HA THR A 6 10.685 4.809 10.306 1.00 73.53 H new ATOM 0 HB THR A 6 8.695 6.555 9.239 1.00 54.43 H new ATOM 0 HG1 THR A 6 7.426 6.873 11.185 1.00 22.14 H new ATOM 0 HG21 THR A 6 7.148 4.802 10.026 1.00 23.33 H new ATOM 0 HG22 THR A 6 8.594 4.107 9.255 1.00 23.33 H new ATOM 0 HG23 THR A 6 8.447 4.113 11.029 1.00 23.33 H new ATOM 94 N VAL A 7 10.951 7.849 8.993 1.00 50.11 N ATOM 95 CA VAL A 7 11.542 8.603 7.894 1.00 60.24 C ATOM 96 C VAL A 7 12.240 9.859 8.402 1.00 44.13 C ATOM 97 O VAL A 7 11.848 10.432 9.418 1.00 11.10 O ATOM 98 CB VAL A 7 10.480 9.005 6.853 1.00 34.53 C ATOM 99 CG1 VAL A 7 9.965 7.778 6.115 1.00 52.42 C ATOM 100 CG2 VAL A 7 9.336 9.753 7.522 1.00 45.43 C ATOM 0 H VAL A 7 10.424 8.416 9.658 1.00 50.11 H new ATOM 0 HA VAL A 7 12.275 7.949 7.421 1.00 60.24 H new ATOM 0 HB VAL A 7 10.943 9.670 6.124 1.00 34.53 H new ATOM 0 HG11 VAL A 7 9.216 8.081 5.384 1.00 52.42 H new ATOM 0 HG12 VAL A 7 10.793 7.287 5.604 1.00 52.42 H new ATOM 0 HG13 VAL A 7 9.517 7.086 6.828 1.00 52.42 H new ATOM 0 HG21 VAL A 7 8.595 10.030 6.772 1.00 45.43 H new ATOM 0 HG22 VAL A 7 8.872 9.113 8.272 1.00 45.43 H new ATOM 0 HG23 VAL A 7 9.721 10.653 8.001 1.00 45.43 H new ATOM 110 N SER A 8 13.278 10.283 7.687 1.00 20.21 N ATOM 111 CA SER A 8 14.034 11.470 8.067 1.00 2.33 C ATOM 112 C SER A 8 14.325 12.342 6.849 1.00 23.14 C ATOM 113 O SER A 8 14.942 11.892 5.884 1.00 54.22 O ATOM 114 CB SER A 8 15.345 11.070 8.747 1.00 11.13 C ATOM 115 OG SER A 8 15.171 10.926 10.146 1.00 14.52 O ATOM 0 H SER A 8 13.614 9.822 6.842 1.00 20.21 H new ATOM 0 HA SER A 8 13.430 12.046 8.768 1.00 2.33 H new ATOM 0 HB2 SER A 8 15.706 10.133 8.324 1.00 11.13 H new ATOM 0 HB3 SER A 8 16.106 11.824 8.548 1.00 11.13 H new ATOM 0 HG SER A 8 16.023 10.668 10.557 1.00 14.52 H new ATOM 121 N ALA A 9 13.877 13.592 6.903 1.00 30.24 N ATOM 122 CA ALA A 9 14.090 14.528 5.807 1.00 64.12 C ATOM 123 C ALA A 9 15.338 15.373 6.041 1.00 12.02 C ATOM 124 O ALA A 9 15.753 15.581 7.181 1.00 54.41 O ATOM 125 CB ALA A 9 12.871 15.421 5.630 1.00 21.23 C ATOM 0 H ALA A 9 13.364 13.980 7.695 1.00 30.24 H new ATOM 0 HA ALA A 9 14.239 13.951 4.894 1.00 64.12 H new ATOM 0 HB1 ALA A 9 13.045 16.115 4.808 1.00 21.23 H new ATOM 0 HB2 ALA A 9 11.999 14.806 5.408 1.00 21.23 H new ATOM 0 HB3 ALA A 9 12.695 15.982 6.548 1.00 21.23 H new ATOM 131 N ALA A 10 15.932 15.857 4.955 1.00 20.43 N ATOM 132 CA ALA A 10 17.131 16.680 5.043 1.00 5.14 C ATOM 133 C ALA A 10 16.905 18.049 4.412 1.00 40.45 C ATOM 134 O ALA A 10 17.814 18.628 3.815 1.00 51.00 O ATOM 135 CB ALA A 10 18.305 15.977 4.377 1.00 33.22 C ATOM 0 H ALA A 10 15.602 15.693 4.004 1.00 20.43 H new ATOM 0 HA ALA A 10 17.362 16.829 6.098 1.00 5.14 H new ATOM 0 HB1 ALA A 10 19.194 16.604 4.451 1.00 33.22 H new ATOM 0 HB2 ALA A 10 18.490 15.025 4.876 1.00 33.22 H new ATOM 0 HB3 ALA A 10 18.074 15.797 3.327 1.00 33.22 H new ATOM 141 N THR A 11 15.686 18.564 4.545 1.00 23.42 N ATOM 142 CA THR A 11 15.340 19.864 3.986 1.00 72.12 C ATOM 143 C THR A 11 14.509 20.682 4.968 1.00 25.34 C ATOM 144 O THR A 11 13.687 21.506 4.567 1.00 71.24 O ATOM 145 CB THR A 11 14.557 19.718 2.667 1.00 21.22 C ATOM 146 OG1 THR A 11 14.793 18.425 2.098 1.00 11.12 O ATOM 147 CG2 THR A 11 14.963 20.796 1.674 1.00 4.23 C ATOM 0 H THR A 11 14.922 18.099 5.036 1.00 23.42 H new ATOM 0 HA THR A 11 16.278 20.382 3.788 1.00 72.12 H new ATOM 0 HB THR A 11 13.495 19.830 2.886 1.00 21.22 H new ATOM 0 HG1 THR A 11 14.291 18.339 1.261 1.00 11.12 H new ATOM 0 HG21 THR A 11 14.397 20.672 0.751 1.00 4.23 H new ATOM 0 HG22 THR A 11 14.755 21.778 2.098 1.00 4.23 H new ATOM 0 HG23 THR A 11 16.028 20.711 1.460 1.00 4.23 H new ATOM 155 N LEU A 12 14.730 20.450 6.258 1.00 72.12 N ATOM 156 CA LEU A 12 14.002 21.166 7.299 1.00 13.43 C ATOM 157 C LEU A 12 14.723 22.456 7.679 1.00 75.12 C ATOM 158 O LEU A 12 15.895 22.436 8.053 1.00 42.44 O ATOM 159 CB LEU A 12 13.835 20.280 8.534 1.00 34.44 C ATOM 160 CG LEU A 12 13.546 18.802 8.266 1.00 51.21 C ATOM 161 CD1 LEU A 12 13.606 18.003 9.558 1.00 4.04 C ATOM 162 CD2 LEU A 12 12.189 18.637 7.598 1.00 72.15 C ATOM 0 H LEU A 12 15.407 19.772 6.607 1.00 72.12 H new ATOM 0 HA LEU A 12 13.018 21.423 6.908 1.00 13.43 H new ATOM 0 HB2 LEU A 12 14.744 20.349 9.132 1.00 34.44 H new ATOM 0 HB3 LEU A 12 13.024 20.684 9.139 1.00 34.44 H new ATOM 0 HG LEU A 12 14.311 18.419 7.590 1.00 51.21 H new ATOM 0 HD11 LEU A 12 13.398 16.954 9.347 1.00 4.04 H new ATOM 0 HD12 LEU A 12 14.600 18.095 9.997 1.00 4.04 H new ATOM 0 HD13 LEU A 12 12.864 18.387 10.258 1.00 4.04 H new ATOM 0 HD21 LEU A 12 12.000 17.579 7.415 1.00 72.15 H new ATOM 0 HD22 LEU A 12 11.412 19.037 8.249 1.00 72.15 H new ATOM 0 HD23 LEU A 12 12.182 19.176 6.651 1.00 72.15 H new ATOM 174 N SER A 13 14.012 23.575 7.582 1.00 44.31 N ATOM 175 CA SER A 13 14.585 24.875 7.914 1.00 72.25 C ATOM 176 C SER A 13 13.948 25.442 9.179 1.00 65.21 C ATOM 177 O SER A 13 14.642 25.931 10.070 1.00 3.13 O ATOM 178 CB SER A 13 14.394 25.851 6.751 1.00 11.44 C ATOM 179 OG SER A 13 14.461 27.195 7.198 1.00 65.33 O ATOM 0 H SER A 13 13.039 23.608 7.277 1.00 44.31 H new ATOM 0 HA SER A 13 15.651 24.740 8.095 1.00 72.25 H new ATOM 0 HB2 SER A 13 15.161 25.677 5.996 1.00 11.44 H new ATOM 0 HB3 SER A 13 13.430 25.670 6.275 1.00 11.44 H new ATOM 0 HG SER A 13 14.337 27.800 6.437 1.00 65.33 H new ATOM 185 N SER A 14 12.623 25.372 9.249 1.00 10.15 N ATOM 186 CA SER A 14 11.891 25.882 10.403 1.00 21.53 C ATOM 187 C SER A 14 10.611 25.084 10.630 1.00 74.42 C ATOM 188 O SER A 14 10.002 24.584 9.683 1.00 11.30 O ATOM 189 CB SER A 14 11.556 27.361 10.208 1.00 15.42 C ATOM 190 OG SER A 14 12.499 27.990 9.358 1.00 0.54 O ATOM 0 H SER A 14 12.034 24.967 8.521 1.00 10.15 H new ATOM 0 HA SER A 14 12.526 25.774 11.282 1.00 21.53 H new ATOM 0 HB2 SER A 14 10.557 27.458 9.783 1.00 15.42 H new ATOM 0 HB3 SER A 14 11.541 27.864 11.175 1.00 15.42 H new ATOM 0 HG SER A 14 12.262 28.934 9.248 1.00 0.54 H new ATOM 196 N ILE A 15 10.208 24.968 11.891 1.00 43.21 N ATOM 197 CA ILE A 15 9.000 24.232 12.243 1.00 42.44 C ATOM 198 C ILE A 15 8.079 25.075 13.118 1.00 74.11 C ATOM 199 O ILE A 15 8.538 25.915 13.892 1.00 75.03 O ATOM 200 CB ILE A 15 9.334 22.922 12.980 1.00 13.10 C ATOM 201 CG1 ILE A 15 10.468 22.184 12.266 1.00 0.01 C ATOM 202 CG2 ILE A 15 8.098 22.039 13.077 1.00 43.45 C ATOM 203 CD1 ILE A 15 10.195 21.930 10.800 1.00 21.11 C ATOM 0 H ILE A 15 10.701 25.375 12.686 1.00 43.21 H new ATOM 0 HA ILE A 15 8.491 23.994 11.309 1.00 42.44 H new ATOM 0 HB ILE A 15 9.664 23.165 13.990 1.00 13.10 H new ATOM 0 HG12 ILE A 15 11.385 22.765 12.361 1.00 0.01 H new ATOM 0 HG13 ILE A 15 10.641 21.231 12.765 1.00 0.01 H new ATOM 0 HG21 ILE A 15 8.350 21.117 13.600 1.00 43.45 H new ATOM 0 HG22 ILE A 15 7.317 22.566 13.625 1.00 43.45 H new ATOM 0 HG23 ILE A 15 7.741 21.802 12.075 1.00 43.45 H new ATOM 0 HD11 ILE A 15 11.041 21.403 10.358 1.00 21.11 H new ATOM 0 HD12 ILE A 15 9.296 21.323 10.697 1.00 21.11 H new ATOM 0 HD13 ILE A 15 10.051 22.881 10.287 1.00 21.11 H new ATOM 215 N SER A 16 6.776 24.843 12.991 1.00 30.21 N ATOM 216 CA SER A 16 5.789 25.582 13.769 1.00 34.23 C ATOM 217 C SER A 16 4.823 24.629 14.467 1.00 21.32 C ATOM 218 O SER A 16 4.325 23.679 13.862 1.00 40.23 O ATOM 219 CB SER A 16 5.012 26.542 12.867 1.00 51.32 C ATOM 220 OG SER A 16 5.563 26.574 11.562 1.00 41.13 O ATOM 0 H SER A 16 6.380 24.149 12.357 1.00 30.21 H new ATOM 0 HA SER A 16 6.319 26.157 14.529 1.00 34.23 H new ATOM 0 HB2 SER A 16 3.968 26.234 12.817 1.00 51.32 H new ATOM 0 HB3 SER A 16 5.028 27.544 13.297 1.00 51.32 H new ATOM 0 HG SER A 16 5.048 27.194 11.004 1.00 41.13 H new ATOM 226 N ILE A 17 4.564 24.889 15.744 1.00 51.40 N ATOM 227 CA ILE A 17 3.658 24.056 16.525 1.00 54.35 C ATOM 228 C ILE A 17 2.581 24.899 17.200 1.00 73.41 C ATOM 229 O ILE A 17 2.845 26.008 17.663 1.00 42.25 O ATOM 230 CB ILE A 17 4.415 23.254 17.599 1.00 1.21 C ATOM 231 CG1 ILE A 17 5.692 22.650 17.011 1.00 51.45 C ATOM 232 CG2 ILE A 17 3.523 22.164 18.173 1.00 31.22 C ATOM 233 CD1 ILE A 17 6.498 21.851 18.010 1.00 65.24 C ATOM 0 H ILE A 17 4.969 25.670 16.260 1.00 51.40 H new ATOM 0 HA ILE A 17 3.189 23.361 15.829 1.00 54.35 H new ATOM 0 HB ILE A 17 4.694 23.931 18.407 1.00 1.21 H new ATOM 0 HG12 ILE A 17 5.427 22.006 16.172 1.00 51.45 H new ATOM 0 HG13 ILE A 17 6.314 23.452 16.613 1.00 51.45 H new ATOM 0 HG21 ILE A 17 4.073 21.606 18.931 1.00 31.22 H new ATOM 0 HG22 ILE A 17 2.640 22.617 18.625 1.00 31.22 H new ATOM 0 HG23 ILE A 17 3.216 21.487 17.375 1.00 31.22 H new ATOM 0 HD11 ILE A 17 7.389 21.453 17.524 1.00 65.24 H new ATOM 0 HD12 ILE A 17 6.794 22.496 18.838 1.00 65.24 H new ATOM 0 HD13 ILE A 17 5.893 21.027 18.390 1.00 65.24 H new ATOM 245 N SER A 18 1.365 24.363 17.254 1.00 25.22 N ATOM 246 CA SER A 18 0.247 25.066 17.872 1.00 60.14 C ATOM 247 C SER A 18 -0.351 24.243 19.009 1.00 43.11 C ATOM 248 O SER A 18 -1.487 23.775 18.940 1.00 14.20 O ATOM 249 CB SER A 18 -0.829 25.372 16.828 1.00 31.20 C ATOM 250 OG SER A 18 -0.550 26.583 16.147 1.00 24.32 O ATOM 0 H SER A 18 1.130 23.445 16.877 1.00 25.22 H new ATOM 0 HA SER A 18 0.622 26.003 18.284 1.00 60.14 H new ATOM 0 HB2 SER A 18 -0.887 24.553 16.111 1.00 31.20 H new ATOM 0 HB3 SER A 18 -1.802 25.440 17.314 1.00 31.20 H new ATOM 0 HG SER A 18 -1.251 26.755 15.484 1.00 24.32 H new ATOM 256 N PRO A 19 0.433 24.061 20.082 1.00 2.40 N ATOM 257 CA PRO A 19 0.004 23.295 21.256 1.00 55.53 C ATOM 258 C PRO A 19 -1.084 24.012 22.049 1.00 22.12 C ATOM 259 O PRO A 19 -1.261 25.224 21.922 1.00 20.15 O ATOM 260 CB PRO A 19 1.282 23.175 22.089 1.00 42.54 C ATOM 261 CG PRO A 19 2.109 24.346 21.683 1.00 4.45 C ATOM 262 CD PRO A 19 1.799 24.590 20.232 1.00 3.35 C ATOM 0 HA PRO A 19 -0.431 22.335 20.979 1.00 55.53 H new ATOM 0 HB2 PRO A 19 1.062 23.196 23.156 1.00 42.54 H new ATOM 0 HB3 PRO A 19 1.799 22.237 21.888 1.00 42.54 H new ATOM 0 HG2 PRO A 19 1.868 25.222 22.286 1.00 4.45 H new ATOM 0 HG3 PRO A 19 3.170 24.143 21.826 1.00 4.45 H new ATOM 0 HD2 PRO A 19 1.849 25.650 19.983 1.00 3.35 H new ATOM 0 HD3 PRO A 19 2.503 24.075 19.578 1.00 3.35 H new ATOM 270 N ILE A 20 -1.808 23.256 22.867 1.00 34.10 N ATOM 271 CA ILE A 20 -2.877 23.820 23.682 1.00 11.10 C ATOM 272 C ILE A 20 -2.837 23.265 25.102 1.00 42.51 C ATOM 273 O ILE A 20 -2.615 22.073 25.307 1.00 34.11 O ATOM 274 CB ILE A 20 -4.262 23.535 23.071 1.00 44.04 C ATOM 275 CG1 ILE A 20 -4.278 23.920 21.590 1.00 55.11 C ATOM 276 CG2 ILE A 20 -5.342 24.289 23.832 1.00 70.42 C ATOM 277 CD1 ILE A 20 -4.003 22.759 20.660 1.00 20.15 C ATOM 0 H ILE A 20 -1.674 22.252 22.983 1.00 34.10 H new ATOM 0 HA ILE A 20 -2.716 24.898 23.710 1.00 11.10 H new ATOM 0 HB ILE A 20 -4.467 22.467 23.152 1.00 44.04 H new ATOM 0 HG12 ILE A 20 -5.250 24.349 21.345 1.00 55.11 H new ATOM 0 HG13 ILE A 20 -3.534 24.697 21.417 1.00 55.11 H new ATOM 0 HG21 ILE A 20 -6.315 24.077 23.388 1.00 70.42 H new ATOM 0 HG22 ILE A 20 -5.342 23.971 24.875 1.00 70.42 H new ATOM 0 HG23 ILE A 20 -5.144 25.360 23.779 1.00 70.42 H new ATOM 0 HD11 ILE A 20 -4.030 23.106 19.627 1.00 20.15 H new ATOM 0 HD12 ILE A 20 -3.019 22.344 20.878 1.00 20.15 H new ATOM 0 HD13 ILE A 20 -4.762 21.990 20.804 1.00 20.15 H new ATOM 289 N ASN A 21 -3.054 24.140 26.079 1.00 32.42 N ATOM 290 CA ASN A 21 -3.044 23.737 27.481 1.00 52.11 C ATOM 291 C ASN A 21 -4.465 23.533 27.998 1.00 23.53 C ATOM 292 O ASN A 21 -5.173 24.494 28.300 1.00 41.04 O ATOM 293 CB ASN A 21 -2.327 24.789 28.330 1.00 63.41 C ATOM 294 CG ASN A 21 -2.748 26.202 27.977 1.00 10.13 C ATOM 295 OD1 ASN A 21 -3.733 26.718 28.505 1.00 33.02 O ATOM 296 ND2 ASN A 21 -2.001 26.835 27.080 1.00 13.42 N ATOM 0 H ASN A 21 -3.239 25.131 25.926 1.00 32.42 H new ATOM 0 HA ASN A 21 -2.509 22.791 27.558 1.00 52.11 H new ATOM 0 HB2 ASN A 21 -2.534 24.604 29.384 1.00 63.41 H new ATOM 0 HB3 ASN A 21 -1.250 24.689 28.194 1.00 63.41 H new ATOM 0 HD21 ASN A 21 -2.235 27.788 26.803 1.00 13.42 H new ATOM 0 HD22 ASN A 21 -1.193 26.368 26.668 1.00 13.42 H new ATOM 303 N THR A 22 -4.876 22.272 28.100 1.00 51.31 N ATOM 304 CA THR A 22 -6.211 21.941 28.580 1.00 35.51 C ATOM 305 C THR A 22 -6.157 20.863 29.657 1.00 5.33 C ATOM 306 O THR A 22 -5.179 20.123 29.759 1.00 51.32 O ATOM 307 CB THR A 22 -7.117 21.457 27.432 1.00 73.30 C ATOM 308 OG1 THR A 22 -6.619 21.938 26.179 1.00 61.02 O ATOM 309 CG2 THR A 22 -8.547 21.935 27.632 1.00 12.44 C ATOM 0 H THR A 22 -4.303 21.464 27.856 1.00 51.31 H new ATOM 0 HA THR A 22 -6.629 22.854 29.004 1.00 35.51 H new ATOM 0 HB THR A 22 -7.112 20.367 27.430 1.00 73.30 H new ATOM 0 HG1 THR A 22 -7.365 22.061 25.556 1.00 61.02 H new ATOM 0 HG21 THR A 22 -9.168 21.581 26.809 1.00 12.44 H new ATOM 0 HG22 THR A 22 -8.934 21.543 28.573 1.00 12.44 H new ATOM 0 HG23 THR A 22 -8.566 23.025 27.658 1.00 12.44 H new ATOM 317 N ASN A 23 -7.213 20.781 30.459 1.00 30.35 N ATOM 318 CA ASN A 23 -7.285 19.793 31.530 1.00 64.32 C ATOM 319 C ASN A 23 -8.404 18.790 31.270 1.00 33.52 C ATOM 320 O ASN A 23 -9.507 19.165 30.869 1.00 24.45 O ATOM 321 CB ASN A 23 -7.506 20.484 32.876 1.00 13.35 C ATOM 322 CG ASN A 23 -6.761 21.801 32.980 1.00 70.01 C ATOM 323 OD1 ASN A 23 -7.309 22.803 33.439 1.00 33.14 O ATOM 324 ND2 ASN A 23 -5.504 21.804 32.552 1.00 51.34 N ATOM 0 H ASN A 23 -8.031 21.386 30.388 1.00 30.35 H new ATOM 0 HA ASN A 23 -6.338 19.254 31.558 1.00 64.32 H new ATOM 0 HB2 ASN A 23 -8.572 20.661 33.020 1.00 13.35 H new ATOM 0 HB3 ASN A 23 -7.181 19.822 33.679 1.00 13.35 H new ATOM 0 HD21 ASN A 23 -4.952 22.661 32.596 1.00 51.34 H new ATOM 0 HD22 ASN A 23 -5.090 20.950 32.179 1.00 51.34 H new ATOM 331 N ILE A 24 -8.114 17.514 31.502 1.00 63.22 N ATOM 332 CA ILE A 24 -9.096 16.457 31.295 1.00 53.33 C ATOM 333 C ILE A 24 -8.987 15.386 32.374 1.00 20.31 C ATOM 334 O ILE A 24 -7.930 15.202 32.975 1.00 24.33 O ATOM 335 CB ILE A 24 -8.930 15.797 29.913 1.00 14.11 C ATOM 336 CG1 ILE A 24 -8.731 16.864 28.835 1.00 74.15 C ATOM 337 CG2 ILE A 24 -10.139 14.930 29.592 1.00 44.21 C ATOM 338 CD1 ILE A 24 -8.425 16.292 27.468 1.00 23.12 C ATOM 0 H ILE A 24 -7.206 17.187 31.834 1.00 63.22 H new ATOM 0 HA ILE A 24 -10.079 16.925 31.349 1.00 53.33 H new ATOM 0 HB ILE A 24 -8.046 15.160 29.934 1.00 14.11 H new ATOM 0 HG12 ILE A 24 -9.631 17.476 28.771 1.00 74.15 H new ATOM 0 HG13 ILE A 24 -7.917 17.524 29.134 1.00 74.15 H new ATOM 0 HG21 ILE A 24 -10.007 14.470 28.612 1.00 44.21 H new ATOM 0 HG22 ILE A 24 -10.239 14.151 30.348 1.00 44.21 H new ATOM 0 HG23 ILE A 24 -11.038 15.547 29.585 1.00 44.21 H new ATOM 0 HD11 ILE A 24 -8.296 17.105 26.754 1.00 23.12 H new ATOM 0 HD12 ILE A 24 -7.509 15.703 27.517 1.00 23.12 H new ATOM 0 HD13 ILE A 24 -9.249 15.655 27.147 1.00 23.12 H new ATOM 350 N ASN A 25 -10.088 14.680 32.613 1.00 24.11 N ATOM 351 CA ASN A 25 -10.115 13.625 33.620 1.00 74.25 C ATOM 352 C ASN A 25 -10.434 12.275 32.984 1.00 62.12 C ATOM 353 O ASN A 25 -10.837 12.202 31.822 1.00 3.03 O ATOM 354 CB ASN A 25 -11.149 13.949 34.700 1.00 72.01 C ATOM 355 CG ASN A 25 -11.053 13.015 35.891 1.00 74.34 C ATOM 356 OD1 ASN A 25 -12.061 12.490 36.364 1.00 31.24 O ATOM 357 ND2 ASN A 25 -9.837 12.803 36.380 1.00 13.32 N ATOM 0 H ASN A 25 -10.972 14.819 32.124 1.00 24.11 H new ATOM 0 HA ASN A 25 -9.127 13.568 34.077 1.00 74.25 H new ATOM 0 HB2 ASN A 25 -11.010 14.977 35.036 1.00 72.01 H new ATOM 0 HB3 ASN A 25 -12.149 13.886 34.272 1.00 72.01 H new ATOM 0 HD21 ASN A 25 -9.710 12.183 37.180 1.00 13.32 H new ATOM 0 HD22 ASN A 25 -9.030 13.260 35.956 1.00 13.32 H new ATOM 364 N THR A 26 -10.251 11.206 33.754 1.00 40.54 N ATOM 365 CA THR A 26 -10.518 9.859 33.267 1.00 61.03 C ATOM 366 C THR A 26 -9.431 9.398 32.302 1.00 33.31 C ATOM 367 O THR A 26 -9.538 8.333 31.693 1.00 61.31 O ATOM 368 CB THR A 26 -11.884 9.777 32.560 1.00 12.31 C ATOM 369 OG1 THR A 26 -12.794 10.718 33.142 1.00 45.12 O ATOM 370 CG2 THR A 26 -12.463 8.374 32.663 1.00 54.44 C ATOM 0 H THR A 26 -9.919 11.248 34.717 1.00 40.54 H new ATOM 0 HA THR A 26 -10.529 9.204 34.139 1.00 61.03 H new ATOM 0 HB THR A 26 -11.738 10.017 31.507 1.00 12.31 H new ATOM 0 HG1 THR A 26 -13.660 10.661 32.686 1.00 45.12 H new ATOM 0 HG21 THR A 26 -13.428 8.340 32.157 1.00 54.44 H new ATOM 0 HG22 THR A 26 -11.782 7.664 32.194 1.00 54.44 H new ATOM 0 HG23 THR A 26 -12.595 8.111 33.713 1.00 54.44 H new ATOM 378 N THR A 27 -8.384 10.205 32.167 1.00 11.53 N ATOM 379 CA THR A 27 -7.278 9.880 31.276 1.00 4.22 C ATOM 380 C THR A 27 -7.732 9.857 29.821 1.00 1.33 C ATOM 381 O THR A 27 -8.565 9.038 29.433 1.00 25.32 O ATOM 382 CB THR A 27 -6.654 8.517 31.629 1.00 33.51 C ATOM 383 OG1 THR A 27 -7.029 8.136 32.958 1.00 61.23 O ATOM 384 CG2 THR A 27 -5.138 8.570 31.520 1.00 0.20 C ATOM 0 H THR A 27 -8.279 11.089 32.664 1.00 11.53 H new ATOM 0 HA THR A 27 -6.528 10.660 31.407 1.00 4.22 H new ATOM 0 HB THR A 27 -7.027 7.778 30.920 1.00 33.51 H new ATOM 0 HG1 THR A 27 -6.630 7.268 33.174 1.00 61.23 H new ATOM 0 HG21 THR A 27 -4.721 7.596 31.774 1.00 0.20 H new ATOM 0 HG22 THR A 27 -4.855 8.831 30.500 1.00 0.20 H new ATOM 0 HG23 THR A 27 -4.750 9.321 32.208 1.00 0.20 H new ATOM 392 N VAL A 28 -7.179 10.762 29.019 1.00 32.12 N ATOM 393 CA VAL A 28 -7.527 10.844 27.606 1.00 44.05 C ATOM 394 C VAL A 28 -6.411 11.503 26.803 1.00 45.02 C ATOM 395 O VAL A 28 -5.515 12.132 27.366 1.00 1.11 O ATOM 396 CB VAL A 28 -8.832 11.634 27.393 1.00 22.33 C ATOM 397 CG1 VAL A 28 -8.569 13.130 27.468 1.00 11.04 C ATOM 398 CG2 VAL A 28 -9.469 11.262 26.063 1.00 65.04 C ATOM 0 H VAL A 28 -6.489 11.448 29.324 1.00 32.12 H new ATOM 0 HA VAL A 28 -7.669 9.822 27.256 1.00 44.05 H new ATOM 0 HB VAL A 28 -9.529 11.372 28.189 1.00 22.33 H new ATOM 0 HG11 VAL A 28 -9.502 13.672 27.315 1.00 11.04 H new ATOM 0 HG12 VAL A 28 -8.161 13.379 28.448 1.00 11.04 H new ATOM 0 HG13 VAL A 28 -7.855 13.413 26.695 1.00 11.04 H new ATOM 0 HG21 VAL A 28 -10.390 11.830 25.929 1.00 65.04 H new ATOM 0 HG22 VAL A 28 -8.779 11.494 25.252 1.00 65.04 H new ATOM 0 HG23 VAL A 28 -9.695 10.196 26.054 1.00 65.04 H new ATOM 408 N SER A 29 -6.471 11.355 25.483 1.00 30.33 N ATOM 409 CA SER A 29 -5.463 11.933 24.602 1.00 33.21 C ATOM 410 C SER A 29 -5.829 13.365 24.225 1.00 42.30 C ATOM 411 O SER A 29 -6.991 13.674 23.962 1.00 35.45 O ATOM 412 CB SER A 29 -5.312 11.083 23.339 1.00 55.54 C ATOM 413 OG SER A 29 -5.934 9.820 23.496 1.00 22.34 O ATOM 0 H SER A 29 -7.207 10.840 25.000 1.00 30.33 H new ATOM 0 HA SER A 29 -4.513 11.948 25.137 1.00 33.21 H new ATOM 0 HB2 SER A 29 -5.753 11.606 22.490 1.00 55.54 H new ATOM 0 HB3 SER A 29 -4.254 10.945 23.114 1.00 55.54 H new ATOM 0 HG SER A 29 -5.253 9.141 23.684 1.00 22.34 H new ATOM 419 N LYS A 30 -4.827 14.238 24.200 1.00 20.33 N ATOM 420 CA LYS A 30 -5.040 15.638 23.855 1.00 43.15 C ATOM 421 C LYS A 30 -4.708 15.893 22.388 1.00 62.13 C ATOM 422 O LYS A 30 -3.597 15.616 21.937 1.00 62.11 O ATOM 423 CB LYS A 30 -4.184 16.541 24.746 1.00 22.42 C ATOM 424 CG LYS A 30 -4.957 17.691 25.368 1.00 62.12 C ATOM 425 CD LYS A 30 -5.533 18.613 24.307 1.00 40.42 C ATOM 426 CE LYS A 30 -7.049 18.508 24.240 1.00 1.12 C ATOM 427 NZ LYS A 30 -7.656 19.679 23.550 1.00 54.33 N ATOM 0 H LYS A 30 -3.859 14.000 24.415 1.00 20.33 H new ATOM 0 HA LYS A 30 -6.093 15.870 24.018 1.00 43.15 H new ATOM 0 HB2 LYS A 30 -3.742 15.940 25.540 1.00 22.42 H new ATOM 0 HB3 LYS A 30 -3.361 16.944 24.156 1.00 22.42 H new ATOM 0 HG2 LYS A 30 -5.764 17.296 25.986 1.00 62.12 H new ATOM 0 HG3 LYS A 30 -4.300 18.259 26.027 1.00 62.12 H new ATOM 0 HD2 LYS A 30 -5.248 19.642 24.524 1.00 40.42 H new ATOM 0 HD3 LYS A 30 -5.107 18.363 23.336 1.00 40.42 H new ATOM 0 HE2 LYS A 30 -7.327 17.594 23.716 1.00 1.12 H new ATOM 0 HE3 LYS A 30 -7.453 18.432 25.250 1.00 1.12 H new ATOM 0 HZ1 LYS A 30 -8.690 19.570 23.525 1.00 54.33 H new ATOM 0 HZ2 LYS A 30 -7.412 20.550 24.064 1.00 54.33 H new ATOM 0 HZ3 LYS A 30 -7.290 19.737 22.578 1.00 54.33 H new ATOM 441 N GLN A 31 -5.678 16.423 21.650 1.00 62.14 N ATOM 442 CA GLN A 31 -5.487 16.715 20.234 1.00 42.31 C ATOM 443 C GLN A 31 -4.742 18.033 20.046 1.00 61.21 C ATOM 444 O GLN A 31 -5.249 19.100 20.392 1.00 75.31 O ATOM 445 CB GLN A 31 -6.837 16.772 19.517 1.00 43.14 C ATOM 446 CG GLN A 31 -6.750 17.316 18.100 1.00 54.32 C ATOM 447 CD GLN A 31 -6.001 16.389 17.163 1.00 0.33 C ATOM 448 OE1 GLN A 31 -6.604 15.577 16.461 1.00 30.13 O ATOM 449 NE2 GLN A 31 -4.678 16.506 17.147 1.00 13.03 N ATOM 0 H GLN A 31 -6.603 16.659 22.009 1.00 62.14 H new ATOM 0 HA GLN A 31 -4.887 15.914 19.801 1.00 42.31 H new ATOM 0 HB2 GLN A 31 -7.266 15.770 19.487 1.00 43.14 H new ATOM 0 HB3 GLN A 31 -7.520 17.394 20.095 1.00 43.14 H new ATOM 0 HG2 GLN A 31 -7.757 17.479 17.715 1.00 54.32 H new ATOM 0 HG3 GLN A 31 -6.254 18.287 18.117 1.00 54.32 H new ATOM 0 HE21 GLN A 31 -4.219 17.193 17.746 1.00 13.03 H new ATOM 0 HE22 GLN A 31 -4.121 15.909 16.536 1.00 13.03 H new ATOM 458 N PHE A 32 -3.535 17.951 19.496 1.00 40.03 N ATOM 459 CA PHE A 32 -2.719 19.137 19.263 1.00 50.02 C ATOM 460 C PHE A 32 -2.456 19.332 17.772 1.00 14.45 C ATOM 461 O PHE A 32 -2.829 18.496 16.950 1.00 75.31 O ATOM 462 CB PHE A 32 -1.392 19.025 20.016 1.00 63.23 C ATOM 463 CG PHE A 32 -1.548 19.026 21.510 1.00 60.24 C ATOM 464 CD1 PHE A 32 -2.520 19.804 22.117 1.00 4.52 C ATOM 465 CD2 PHE A 32 -0.723 18.249 22.306 1.00 23.52 C ATOM 466 CE1 PHE A 32 -2.666 19.808 23.492 1.00 74.53 C ATOM 467 CE2 PHE A 32 -0.865 18.247 23.681 1.00 40.11 C ATOM 468 CZ PHE A 32 -1.837 19.028 24.274 1.00 11.55 C ATOM 0 H PHE A 32 -3.100 17.076 19.203 1.00 40.03 H new ATOM 0 HA PHE A 32 -3.267 20.003 19.634 1.00 50.02 H new ATOM 0 HB2 PHE A 32 -0.887 18.108 19.712 1.00 63.23 H new ATOM 0 HB3 PHE A 32 -0.748 19.855 19.726 1.00 63.23 H new ATOM 0 HD1 PHE A 32 -3.171 20.415 21.509 1.00 4.52 H new ATOM 0 HD2 PHE A 32 0.040 17.638 21.847 1.00 23.52 H new ATOM 0 HE1 PHE A 32 -3.427 20.420 23.954 1.00 74.53 H new ATOM 0 HE2 PHE A 32 -0.216 17.635 24.291 1.00 40.11 H new ATOM 0 HZ PHE A 32 -1.949 19.029 25.348 1.00 11.55 H new ATOM 478 N PHE A 33 -1.812 20.444 17.432 1.00 30.41 N ATOM 479 CA PHE A 33 -1.500 20.751 16.041 1.00 32.01 C ATOM 480 C PHE A 33 0.009 20.811 15.822 1.00 33.34 C ATOM 481 O PHE A 33 0.746 21.347 16.649 1.00 33.12 O ATOM 482 CB PHE A 33 -2.139 22.081 15.635 1.00 62.20 C ATOM 483 CG PHE A 33 -3.552 21.942 15.146 1.00 12.40 C ATOM 484 CD1 PHE A 33 -3.817 21.418 13.891 1.00 31.54 C ATOM 485 CD2 PHE A 33 -4.616 22.338 15.941 1.00 71.21 C ATOM 486 CE1 PHE A 33 -5.117 21.288 13.439 1.00 43.54 C ATOM 487 CE2 PHE A 33 -5.918 22.211 15.494 1.00 64.23 C ATOM 488 CZ PHE A 33 -6.168 21.687 14.241 1.00 72.35 C ATOM 0 H PHE A 33 -1.496 21.147 18.100 1.00 30.41 H new ATOM 0 HA PHE A 33 -1.908 19.954 15.419 1.00 32.01 H new ATOM 0 HB2 PHE A 33 -2.123 22.758 16.489 1.00 62.20 H new ATOM 0 HB3 PHE A 33 -1.536 22.541 14.852 1.00 62.20 H new ATOM 0 HD1 PHE A 33 -2.998 21.108 13.259 1.00 31.54 H new ATOM 0 HD2 PHE A 33 -4.426 22.750 16.921 1.00 71.21 H new ATOM 0 HE1 PHE A 33 -5.310 20.875 12.460 1.00 43.54 H new ATOM 0 HE2 PHE A 33 -6.739 22.521 16.124 1.00 64.23 H new ATOM 0 HZ PHE A 33 -7.184 21.589 13.889 1.00 72.35 H new ATOM 498 N ALA A 34 0.461 20.255 14.703 1.00 53.53 N ATOM 499 CA ALA A 34 1.881 20.246 14.374 1.00 53.44 C ATOM 500 C ALA A 34 2.099 20.447 12.878 1.00 72.53 C ATOM 501 O ALA A 34 1.609 19.669 12.059 1.00 33.30 O ATOM 502 CB ALA A 34 2.520 18.945 14.833 1.00 65.52 C ATOM 0 H ALA A 34 -0.136 19.805 14.009 1.00 53.53 H new ATOM 0 HA ALA A 34 2.356 21.075 14.898 1.00 53.44 H new ATOM 0 HB1 ALA A 34 3.580 18.952 14.581 1.00 65.52 H new ATOM 0 HB2 ALA A 34 2.404 18.844 15.912 1.00 65.52 H new ATOM 0 HB3 ALA A 34 2.034 18.106 14.335 1.00 65.52 H new ATOM 508 N VAL A 35 2.837 21.495 12.527 1.00 20.11 N ATOM 509 CA VAL A 35 3.120 21.797 11.129 1.00 4.11 C ATOM 510 C VAL A 35 4.614 22.002 10.903 1.00 21.01 C ATOM 511 O VAL A 35 5.297 22.619 11.719 1.00 24.44 O ATOM 512 CB VAL A 35 2.364 23.055 10.663 1.00 44.35 C ATOM 513 CG1 VAL A 35 0.886 22.751 10.473 1.00 22.14 C ATOM 514 CG2 VAL A 35 2.560 24.192 11.654 1.00 44.42 C ATOM 0 H VAL A 35 3.250 22.149 13.192 1.00 20.11 H new ATOM 0 HA VAL A 35 2.781 20.941 10.545 1.00 4.11 H new ATOM 0 HB VAL A 35 2.772 23.367 9.702 1.00 44.35 H new ATOM 0 HG11 VAL A 35 0.369 23.652 10.144 1.00 22.14 H new ATOM 0 HG12 VAL A 35 0.769 21.970 9.722 1.00 22.14 H new ATOM 0 HG13 VAL A 35 0.460 22.413 11.417 1.00 22.14 H new ATOM 0 HG21 VAL A 35 2.019 25.073 11.309 1.00 44.42 H new ATOM 0 HG22 VAL A 35 2.180 23.893 12.631 1.00 44.42 H new ATOM 0 HG23 VAL A 35 3.622 24.426 11.734 1.00 44.42 H new ATOM 524 N GLY A 36 5.115 21.480 9.787 1.00 5.25 N ATOM 525 CA GLY A 36 6.526 21.617 9.473 1.00 34.22 C ATOM 526 C GLY A 36 6.760 22.343 8.164 1.00 40.15 C ATOM 527 O GLY A 36 6.085 22.078 7.168 1.00 42.41 O ATOM 0 H GLY A 36 4.570 20.965 9.095 1.00 5.25 H new ATOM 0 HA2 GLY A 36 7.024 22.157 10.279 1.00 34.22 H new ATOM 0 HA3 GLY A 36 6.982 20.628 9.423 1.00 34.22 H new ATOM 531 N THR A 37 7.719 23.264 8.163 1.00 51.04 N ATOM 532 CA THR A 37 8.039 24.033 6.967 1.00 52.13 C ATOM 533 C THR A 37 9.370 23.593 6.369 1.00 23.54 C ATOM 534 O THR A 37 10.360 23.434 7.084 1.00 3.41 O ATOM 535 CB THR A 37 8.099 25.542 7.269 1.00 51.43 C ATOM 536 OG1 THR A 37 7.921 25.769 8.671 1.00 24.35 O ATOM 537 CG2 THR A 37 7.030 26.293 6.489 1.00 13.24 C ATOM 0 H THR A 37 8.288 23.495 8.978 1.00 51.04 H new ATOM 0 HA THR A 37 7.241 23.845 6.248 1.00 52.13 H new ATOM 0 HB THR A 37 9.077 25.912 6.963 1.00 51.43 H new ATOM 0 HG1 THR A 37 8.660 25.357 9.165 1.00 24.35 H new ATOM 0 HG21 THR A 37 7.092 27.357 6.719 1.00 13.24 H new ATOM 0 HG22 THR A 37 7.186 26.143 5.421 1.00 13.24 H new ATOM 0 HG23 THR A 37 6.045 25.918 6.768 1.00 13.24 H new ATOM 545 N TYR A 38 9.388 23.396 5.056 1.00 50.52 N ATOM 546 CA TYR A 38 10.599 22.972 4.363 1.00 55.24 C ATOM 547 C TYR A 38 11.413 24.177 3.901 1.00 12.14 C ATOM 548 O TYR A 38 10.857 25.215 3.542 1.00 4.32 O ATOM 549 CB TYR A 38 10.243 22.093 3.162 1.00 14.52 C ATOM 550 CG TYR A 38 9.870 20.677 3.538 1.00 12.20 C ATOM 551 CD1 TYR A 38 10.813 19.808 4.073 1.00 53.04 C ATOM 552 CD2 TYR A 38 8.574 20.208 3.359 1.00 10.52 C ATOM 553 CE1 TYR A 38 10.477 18.513 4.417 1.00 55.14 C ATOM 554 CE2 TYR A 38 8.228 18.915 3.702 1.00 44.53 C ATOM 555 CZ TYR A 38 9.183 18.072 4.230 1.00 63.55 C ATOM 556 OH TYR A 38 8.844 16.783 4.572 1.00 21.32 O ATOM 0 H TYR A 38 8.578 23.523 4.450 1.00 50.52 H new ATOM 0 HA TYR A 38 11.204 22.394 5.062 1.00 55.24 H new ATOM 0 HB2 TYR A 38 9.412 22.548 2.623 1.00 14.52 H new ATOM 0 HB3 TYR A 38 11.091 22.067 2.477 1.00 14.52 H new ATOM 0 HD1 TYR A 38 11.826 20.151 4.222 1.00 53.04 H new ATOM 0 HD2 TYR A 38 7.824 20.866 2.945 1.00 10.52 H new ATOM 0 HE1 TYR A 38 11.223 17.850 4.830 1.00 55.14 H new ATOM 0 HE2 TYR A 38 7.216 18.567 3.557 1.00 44.53 H new ATOM 0 HH TYR A 38 7.895 16.632 4.379 1.00 21.32 H new ATOM 566 N SER A 39 12.734 24.030 3.914 1.00 52.12 N ATOM 567 CA SER A 39 13.627 25.106 3.500 1.00 13.21 C ATOM 568 C SER A 39 13.337 25.530 2.064 1.00 50.54 C ATOM 569 O SER A 39 13.661 26.646 1.657 1.00 51.41 O ATOM 570 CB SER A 39 15.086 24.665 3.629 1.00 32.22 C ATOM 571 OG SER A 39 15.937 25.776 3.852 1.00 71.23 O ATOM 0 H SER A 39 13.209 23.176 4.207 1.00 52.12 H new ATOM 0 HA SER A 39 13.454 25.960 4.155 1.00 13.21 H new ATOM 0 HB2 SER A 39 15.184 23.957 4.452 1.00 32.22 H new ATOM 0 HB3 SER A 39 15.393 24.144 2.722 1.00 32.22 H new ATOM 0 HG SER A 39 16.864 25.467 3.932 1.00 71.23 H new ATOM 577 N ASP A 40 12.725 24.632 1.300 1.00 31.12 N ATOM 578 CA ASP A 40 12.390 24.912 -0.091 1.00 72.12 C ATOM 579 C ASP A 40 11.272 25.946 -0.183 1.00 72.44 C ATOM 580 O ASP A 40 10.978 26.463 -1.260 1.00 44.32 O ATOM 581 CB ASP A 40 11.972 23.626 -0.806 1.00 64.12 C ATOM 582 CG ASP A 40 12.931 23.244 -1.917 1.00 22.44 C ATOM 583 OD1 ASP A 40 13.015 23.993 -2.912 1.00 2.34 O ATOM 584 OD2 ASP A 40 13.597 22.194 -1.791 1.00 52.22 O ATOM 0 H ASP A 40 12.451 23.703 1.621 1.00 31.12 H new ATOM 0 HA ASP A 40 13.277 25.318 -0.578 1.00 72.12 H new ATOM 0 HB2 ASP A 40 11.916 22.813 -0.082 1.00 64.12 H new ATOM 0 HB3 ASP A 40 10.972 23.753 -1.221 1.00 64.12 H new ATOM 589 N GLY A 41 10.650 26.241 0.954 1.00 31.22 N ATOM 590 CA GLY A 41 9.570 27.210 0.980 1.00 44.34 C ATOM 591 C GLY A 41 8.205 26.560 0.878 1.00 52.22 C ATOM 592 O GLY A 41 7.347 27.014 0.119 1.00 23.30 O ATOM 0 H GLY A 41 10.875 25.826 1.858 1.00 31.22 H new ATOM 0 HA2 GLY A 41 9.626 27.787 1.903 1.00 44.34 H new ATOM 0 HA3 GLY A 41 9.697 27.913 0.156 1.00 44.34 H new ATOM 596 N THR A 42 8.001 25.492 1.643 1.00 53.31 N ATOM 597 CA THR A 42 6.731 24.777 1.634 1.00 62.34 C ATOM 598 C THR A 42 6.219 24.546 3.051 1.00 44.41 C ATOM 599 O THR A 42 6.938 24.770 4.026 1.00 74.03 O ATOM 600 CB THR A 42 6.857 23.418 0.918 1.00 2.34 C ATOM 601 OG1 THR A 42 8.081 23.367 0.177 1.00 70.13 O ATOM 602 CG2 THR A 42 5.681 23.189 -0.018 1.00 74.32 C ATOM 0 H THR A 42 8.699 25.103 2.277 1.00 53.31 H new ATOM 0 HA THR A 42 6.021 25.401 1.092 1.00 62.34 H new ATOM 0 HB THR A 42 6.857 22.632 1.673 1.00 2.34 H new ATOM 0 HG1 THR A 42 8.155 22.500 -0.274 1.00 70.13 H new ATOM 0 HG21 THR A 42 5.792 22.224 -0.512 1.00 74.32 H new ATOM 0 HG22 THR A 42 4.753 23.199 0.554 1.00 74.32 H new ATOM 0 HG23 THR A 42 5.654 23.979 -0.768 1.00 74.32 H new ATOM 610 N LYS A 43 4.974 24.097 3.159 1.00 14.34 N ATOM 611 CA LYS A 43 4.365 23.834 4.458 1.00 1.10 C ATOM 612 C LYS A 43 3.506 22.575 4.411 1.00 21.51 C ATOM 613 O LYS A 43 2.636 22.437 3.552 1.00 50.02 O ATOM 614 CB LYS A 43 3.514 25.028 4.897 1.00 5.21 C ATOM 615 CG LYS A 43 2.517 25.483 3.846 1.00 13.33 C ATOM 616 CD LYS A 43 1.145 25.734 4.451 1.00 45.30 C ATOM 617 CE LYS A 43 0.180 24.603 4.132 1.00 50.33 C ATOM 618 NZ LYS A 43 -1.033 24.650 4.994 1.00 32.40 N ATOM 0 H LYS A 43 4.366 23.907 2.362 1.00 14.34 H new ATOM 0 HA LYS A 43 5.165 23.680 5.182 1.00 1.10 H new ATOM 0 HB2 LYS A 43 2.975 24.764 5.807 1.00 5.21 H new ATOM 0 HB3 LYS A 43 4.172 25.860 5.146 1.00 5.21 H new ATOM 0 HG2 LYS A 43 2.879 26.395 3.371 1.00 13.33 H new ATOM 0 HG3 LYS A 43 2.439 24.726 3.065 1.00 13.33 H new ATOM 0 HD2 LYS A 43 1.237 25.841 5.532 1.00 45.30 H new ATOM 0 HD3 LYS A 43 0.745 26.674 4.070 1.00 45.30 H new ATOM 0 HE2 LYS A 43 -0.116 24.663 3.085 1.00 50.33 H new ATOM 0 HE3 LYS A 43 0.684 23.646 4.267 1.00 50.33 H new ATOM 0 HZ1 LYS A 43 -1.666 23.863 4.746 1.00 32.40 H new ATOM 0 HZ2 LYS A 43 -0.753 24.568 5.992 1.00 32.40 H new ATOM 0 HZ3 LYS A 43 -1.529 25.552 4.847 1.00 32.40 H new ATOM 632 N ALA A 44 3.756 21.659 5.341 1.00 33.41 N ATOM 633 CA ALA A 44 3.003 20.412 5.407 1.00 14.34 C ATOM 634 C ALA A 44 2.818 19.958 6.852 1.00 43.55 C ATOM 635 O ALA A 44 3.772 19.931 7.630 1.00 33.30 O ATOM 636 CB ALA A 44 3.701 19.330 4.597 1.00 13.11 C ATOM 0 H ALA A 44 4.474 21.757 6.059 1.00 33.41 H new ATOM 0 HA ALA A 44 2.016 20.590 4.980 1.00 14.34 H new ATOM 0 HB1 ALA A 44 3.128 18.405 4.655 1.00 13.11 H new ATOM 0 HB2 ALA A 44 3.776 19.646 3.556 1.00 13.11 H new ATOM 0 HB3 ALA A 44 4.701 19.163 4.998 1.00 13.11 H new ATOM 642 N ASP A 45 1.587 19.604 7.203 1.00 41.42 N ATOM 643 CA ASP A 45 1.278 19.151 8.554 1.00 51.30 C ATOM 644 C ASP A 45 1.710 17.702 8.753 1.00 21.13 C ATOM 645 O ASP A 45 0.965 16.772 8.441 1.00 42.15 O ATOM 646 CB ASP A 45 -0.219 19.293 8.832 1.00 34.12 C ATOM 647 CG ASP A 45 -0.829 20.488 8.126 1.00 71.43 C ATOM 648 OD1 ASP A 45 -1.017 20.416 6.893 1.00 34.00 O ATOM 649 OD2 ASP A 45 -1.119 21.494 8.806 1.00 42.14 O ATOM 0 H ASP A 45 0.787 19.622 6.571 1.00 41.42 H new ATOM 0 HA ASP A 45 1.831 19.775 9.256 1.00 51.30 H new ATOM 0 HB2 ASP A 45 -0.732 18.386 8.513 1.00 34.12 H new ATOM 0 HB3 ASP A 45 -0.378 19.389 9.906 1.00 34.12 H new ATOM 654 N LEU A 46 2.918 17.517 9.275 1.00 71.45 N ATOM 655 CA LEU A 46 3.451 16.180 9.515 1.00 75.11 C ATOM 656 C LEU A 46 3.898 16.025 10.965 1.00 65.23 C ATOM 657 O LEU A 46 4.723 16.795 11.457 1.00 2.45 O ATOM 658 CB LEU A 46 4.624 15.900 8.574 1.00 53.10 C ATOM 659 CG LEU A 46 4.334 16.043 7.079 1.00 2.14 C ATOM 660 CD1 LEU A 46 5.557 16.574 6.347 1.00 30.41 C ATOM 661 CD2 LEU A 46 3.895 14.710 6.491 1.00 12.13 C ATOM 0 H LEU A 46 3.546 18.275 9.540 1.00 71.45 H new ATOM 0 HA LEU A 46 2.658 15.459 9.320 1.00 75.11 H new ATOM 0 HB2 LEU A 46 5.440 16.575 8.832 1.00 53.10 H new ATOM 0 HB3 LEU A 46 4.979 14.886 8.760 1.00 53.10 H new ATOM 0 HG LEU A 46 3.521 16.758 6.953 1.00 2.14 H new ATOM 0 HD11 LEU A 46 5.332 16.669 5.285 1.00 30.41 H new ATOM 0 HD12 LEU A 46 5.827 17.550 6.750 1.00 30.41 H new ATOM 0 HD13 LEU A 46 6.390 15.883 6.481 1.00 30.41 H new ATOM 0 HD21 LEU A 46 3.693 14.831 5.427 1.00 12.13 H new ATOM 0 HD22 LEU A 46 4.686 13.973 6.629 1.00 12.13 H new ATOM 0 HD23 LEU A 46 2.991 14.370 6.996 1.00 12.13 H new ATOM 673 N THR A 47 3.351 15.022 11.644 1.00 61.41 N ATOM 674 CA THR A 47 3.695 14.764 13.037 1.00 54.24 C ATOM 675 C THR A 47 4.494 13.474 13.176 1.00 30.33 C ATOM 676 O THR A 47 4.912 13.107 14.274 1.00 4.35 O ATOM 677 CB THR A 47 2.435 14.672 13.918 1.00 11.33 C ATOM 678 OG1 THR A 47 1.689 13.496 13.586 1.00 22.11 O ATOM 679 CG2 THR A 47 1.558 15.902 13.739 1.00 51.32 C ATOM 0 H THR A 47 2.667 14.374 11.252 1.00 61.41 H new ATOM 0 HA THR A 47 4.304 15.603 13.373 1.00 54.24 H new ATOM 0 HB THR A 47 2.751 14.619 14.960 1.00 11.33 H new ATOM 0 HG1 THR A 47 1.470 13.506 12.631 1.00 22.11 H new ATOM 0 HG21 THR A 47 0.674 15.814 14.371 1.00 51.32 H new ATOM 0 HG22 THR A 47 2.119 16.793 14.021 1.00 51.32 H new ATOM 0 HG23 THR A 47 1.251 15.982 12.696 1.00 51.32 H new ATOM 687 N SER A 48 4.703 12.789 12.057 1.00 63.43 N ATOM 688 CA SER A 48 5.451 11.536 12.055 1.00 14.42 C ATOM 689 C SER A 48 6.953 11.800 12.089 1.00 51.35 C ATOM 690 O SER A 48 7.728 10.979 12.578 1.00 31.13 O ATOM 691 CB SER A 48 5.094 10.707 10.820 1.00 22.22 C ATOM 692 OG SER A 48 4.820 11.540 9.708 1.00 51.44 O ATOM 0 H SER A 48 4.365 13.080 11.140 1.00 63.43 H new ATOM 0 HA SER A 48 5.178 10.977 12.950 1.00 14.42 H new ATOM 0 HB2 SER A 48 5.917 10.034 10.580 1.00 22.22 H new ATOM 0 HB3 SER A 48 4.225 10.085 11.035 1.00 22.22 H new ATOM 0 HG SER A 48 4.596 10.986 8.931 1.00 51.44 H new ATOM 698 N SER A 49 7.357 12.953 11.564 1.00 73.35 N ATOM 699 CA SER A 49 8.766 13.325 11.529 1.00 62.31 C ATOM 700 C SER A 49 9.216 13.876 12.879 1.00 71.14 C ATOM 701 O SER A 49 10.285 13.527 13.380 1.00 35.51 O ATOM 702 CB SER A 49 9.015 14.363 10.433 1.00 73.21 C ATOM 703 OG SER A 49 8.360 14.001 9.230 1.00 74.24 O ATOM 0 H SER A 49 6.728 13.645 11.157 1.00 73.35 H new ATOM 0 HA SER A 49 9.347 12.429 11.309 1.00 62.31 H new ATOM 0 HB2 SER A 49 8.660 15.339 10.765 1.00 73.21 H new ATOM 0 HB3 SER A 49 10.086 14.457 10.254 1.00 73.21 H new ATOM 0 HG SER A 49 8.398 14.750 8.599 1.00 74.24 H new ATOM 709 N VAL A 50 8.392 14.740 13.462 1.00 14.30 N ATOM 710 CA VAL A 50 8.702 15.340 14.754 1.00 4.11 C ATOM 711 C VAL A 50 8.802 14.278 15.843 1.00 3.13 C ATOM 712 O VAL A 50 8.072 13.286 15.829 1.00 42.44 O ATOM 713 CB VAL A 50 7.640 16.379 15.161 1.00 60.51 C ATOM 714 CG1 VAL A 50 7.927 16.919 16.553 1.00 2.14 C ATOM 715 CG2 VAL A 50 7.582 17.508 14.143 1.00 22.31 C ATOM 0 H VAL A 50 7.504 15.040 13.060 1.00 14.30 H new ATOM 0 HA VAL A 50 9.665 15.839 14.648 1.00 4.11 H new ATOM 0 HB VAL A 50 6.667 15.889 15.182 1.00 60.51 H new ATOM 0 HG11 VAL A 50 7.166 17.652 16.823 1.00 2.14 H new ATOM 0 HG12 VAL A 50 7.913 16.099 17.271 1.00 2.14 H new ATOM 0 HG13 VAL A 50 8.908 17.394 16.564 1.00 2.14 H new ATOM 0 HG21 VAL A 50 6.827 18.233 14.446 1.00 22.31 H new ATOM 0 HG22 VAL A 50 8.554 17.998 14.088 1.00 22.31 H new ATOM 0 HG23 VAL A 50 7.324 17.103 13.165 1.00 22.31 H new ATOM 725 N THR A 51 9.712 14.492 16.789 1.00 33.12 N ATOM 726 CA THR A 51 9.908 13.553 17.887 1.00 43.24 C ATOM 727 C THR A 51 9.254 14.059 19.167 1.00 2.40 C ATOM 728 O THR A 51 9.329 15.246 19.486 1.00 23.13 O ATOM 729 CB THR A 51 11.405 13.305 18.152 1.00 62.32 C ATOM 730 OG1 THR A 51 12.166 13.592 16.973 1.00 11.43 O ATOM 731 CG2 THR A 51 11.647 11.865 18.579 1.00 63.21 C ATOM 0 H THR A 51 10.325 15.307 16.817 1.00 33.12 H new ATOM 0 HA THR A 51 9.438 12.615 17.589 1.00 43.24 H new ATOM 0 HB THR A 51 11.723 13.966 18.959 1.00 62.32 H new ATOM 0 HG1 THR A 51 13.117 13.433 17.151 1.00 11.43 H new ATOM 0 HG21 THR A 51 12.711 11.713 18.761 1.00 63.21 H new ATOM 0 HG22 THR A 51 11.090 11.658 19.493 1.00 63.21 H new ATOM 0 HG23 THR A 51 11.314 11.191 17.790 1.00 63.21 H new ATOM 739 N TRP A 52 8.614 13.153 19.897 1.00 51.14 N ATOM 740 CA TRP A 52 7.947 13.509 21.144 1.00 72.21 C ATOM 741 C TRP A 52 8.740 13.010 22.347 1.00 51.22 C ATOM 742 O TRP A 52 9.295 11.912 22.324 1.00 64.03 O ATOM 743 CB TRP A 52 6.532 12.927 21.174 1.00 43.45 C ATOM 744 CG TRP A 52 5.494 13.863 20.632 1.00 62.25 C ATOM 745 CD1 TRP A 52 4.543 14.534 21.346 1.00 50.05 C ATOM 746 CD2 TRP A 52 5.302 14.228 19.261 1.00 42.53 C ATOM 747 NE1 TRP A 52 3.771 15.295 20.501 1.00 60.11 N ATOM 748 CE2 TRP A 52 4.217 15.126 19.217 1.00 60.41 C ATOM 749 CE3 TRP A 52 5.942 13.887 18.066 1.00 3.23 C ATOM 750 CZ2 TRP A 52 3.760 15.683 18.026 1.00 73.44 C ATOM 751 CZ3 TRP A 52 5.487 14.441 16.885 1.00 70.42 C ATOM 752 CH2 TRP A 52 4.405 15.331 16.871 1.00 31.33 C ATOM 0 H TRP A 52 8.543 12.167 19.647 1.00 51.14 H new ATOM 0 HA TRP A 52 7.887 14.596 21.197 1.00 72.21 H new ATOM 0 HB2 TRP A 52 6.515 12.003 20.597 1.00 43.45 H new ATOM 0 HB3 TRP A 52 6.276 12.666 22.201 1.00 43.45 H new ATOM 0 HD1 TRP A 52 4.416 14.475 22.417 1.00 50.05 H new ATOM 0 HE1 TRP A 52 2.992 15.889 20.784 1.00 60.11 H new ATOM 0 HE3 TRP A 52 6.777 13.203 18.066 1.00 3.23 H new ATOM 0 HZ2 TRP A 52 2.926 16.369 18.014 1.00 73.44 H new ATOM 0 HZ3 TRP A 52 5.974 14.183 15.956 1.00 70.42 H new ATOM 0 HH2 TRP A 52 4.074 15.747 15.931 1.00 31.33 H new ATOM 763 N SER A 53 8.789 13.824 23.397 1.00 74.12 N ATOM 764 CA SER A 53 9.517 13.466 24.608 1.00 23.01 C ATOM 765 C SER A 53 8.941 14.188 25.822 1.00 0.31 C ATOM 766 O SER A 53 9.044 15.409 25.938 1.00 12.43 O ATOM 767 CB SER A 53 11.001 13.806 24.455 1.00 21.31 C ATOM 768 OG SER A 53 11.762 13.258 25.518 1.00 71.23 O ATOM 0 H SER A 53 8.333 14.736 23.433 1.00 74.12 H new ATOM 0 HA SER A 53 9.411 12.392 24.762 1.00 23.01 H new ATOM 0 HB2 SER A 53 11.369 13.421 23.504 1.00 21.31 H new ATOM 0 HB3 SER A 53 11.129 14.888 24.432 1.00 21.31 H new ATOM 0 HG SER A 53 12.707 13.488 25.396 1.00 71.23 H new ATOM 774 N SER A 54 8.334 13.424 26.725 1.00 62.04 N ATOM 775 CA SER A 54 7.738 13.990 27.929 1.00 54.13 C ATOM 776 C SER A 54 8.456 13.490 29.178 1.00 62.40 C ATOM 777 O SER A 54 9.056 12.414 29.174 1.00 55.40 O ATOM 778 CB SER A 54 6.252 13.633 28.004 1.00 71.24 C ATOM 779 OG SER A 54 5.575 14.458 28.936 1.00 24.44 O ATOM 0 H SER A 54 8.242 12.411 26.645 1.00 62.04 H new ATOM 0 HA SER A 54 7.842 15.074 27.881 1.00 54.13 H new ATOM 0 HB2 SER A 54 5.798 13.744 27.019 1.00 71.24 H new ATOM 0 HB3 SER A 54 6.140 12.587 28.291 1.00 71.24 H new ATOM 0 HG SER A 54 6.149 15.213 29.182 1.00 24.44 H new ATOM 785 N SER A 55 8.391 14.278 30.246 1.00 23.12 N ATOM 786 CA SER A 55 9.039 13.918 31.502 1.00 15.03 C ATOM 787 C SER A 55 8.645 12.508 31.931 1.00 24.34 C ATOM 788 O SER A 55 9.435 11.571 31.821 1.00 22.02 O ATOM 789 CB SER A 55 8.666 14.919 32.598 1.00 51.04 C ATOM 790 OG SER A 55 7.303 15.296 32.502 1.00 22.21 O ATOM 0 H SER A 55 7.896 15.170 30.267 1.00 23.12 H new ATOM 0 HA SER A 55 10.118 13.945 31.347 1.00 15.03 H new ATOM 0 HB2 SER A 55 8.857 14.479 33.577 1.00 51.04 H new ATOM 0 HB3 SER A 55 9.298 15.804 32.517 1.00 51.04 H new ATOM 0 HG SER A 55 7.089 15.935 33.214 1.00 22.21 H new ATOM 796 N ASN A 56 7.418 12.366 32.421 1.00 21.54 N ATOM 797 CA ASN A 56 6.919 11.070 32.868 1.00 12.12 C ATOM 798 C ASN A 56 6.786 10.104 31.695 1.00 54.33 C ATOM 799 O ASN A 56 5.951 10.298 30.811 1.00 44.20 O ATOM 800 CB ASN A 56 5.566 11.234 33.564 1.00 2.13 C ATOM 801 CG ASN A 56 5.668 12.042 34.843 1.00 5.53 C ATOM 802 OD1 ASN A 56 6.608 11.878 35.622 1.00 70.54 O ATOM 803 ND2 ASN A 56 4.699 12.922 35.066 1.00 10.21 N ATOM 0 H ASN A 56 6.751 13.132 32.519 1.00 21.54 H new ATOM 0 HA ASN A 56 7.637 10.657 33.576 1.00 12.12 H new ATOM 0 HB2 ASN A 56 4.868 11.722 32.884 1.00 2.13 H new ATOM 0 HB3 ASN A 56 5.156 10.250 33.791 1.00 2.13 H new ATOM 0 HD21 ASN A 56 4.715 13.495 35.910 1.00 10.21 H new ATOM 0 HD22 ASN A 56 3.939 13.025 34.394 1.00 10.21 H new ATOM 810 N GLN A 57 7.613 9.064 31.695 1.00 42.24 N ATOM 811 CA GLN A 57 7.587 8.068 30.630 1.00 45.42 C ATOM 812 C GLN A 57 6.331 7.209 30.718 1.00 33.04 C ATOM 813 O GLN A 57 6.022 6.447 29.802 1.00 21.13 O ATOM 814 CB GLN A 57 8.832 7.182 30.702 1.00 70.13 C ATOM 815 CG GLN A 57 9.721 7.280 29.472 1.00 34.12 C ATOM 816 CD GLN A 57 9.581 6.081 28.554 1.00 2.44 C ATOM 817 OE1 GLN A 57 9.973 4.968 28.905 1.00 75.32 O ATOM 818 NE2 GLN A 57 9.021 6.304 27.371 1.00 31.42 N ATOM 0 H GLN A 57 8.309 8.889 32.420 1.00 42.24 H new ATOM 0 HA GLN A 57 7.578 8.594 29.675 1.00 45.42 H new ATOM 0 HB2 GLN A 57 9.413 7.457 31.583 1.00 70.13 H new ATOM 0 HB3 GLN A 57 8.523 6.145 30.835 1.00 70.13 H new ATOM 0 HG2 GLN A 57 9.473 8.186 28.920 1.00 34.12 H new ATOM 0 HG3 GLN A 57 10.761 7.373 29.786 1.00 34.12 H new ATOM 0 HE21 GLN A 57 8.711 7.243 27.123 1.00 31.42 H new ATOM 0 HE22 GLN A 57 8.901 5.536 26.711 1.00 31.42 H new ATOM 827 N SER A 58 5.609 7.337 31.828 1.00 63.25 N ATOM 828 CA SER A 58 4.388 6.568 32.038 1.00 51.53 C ATOM 829 C SER A 58 3.235 7.147 31.222 1.00 23.33 C ATOM 830 O SER A 58 2.488 6.412 30.578 1.00 71.43 O ATOM 831 CB SER A 58 4.019 6.552 33.523 1.00 45.55 C ATOM 832 OG SER A 58 4.493 5.375 34.153 1.00 70.12 O ATOM 0 H SER A 58 5.849 7.966 32.595 1.00 63.25 H new ATOM 0 HA SER A 58 4.569 5.546 31.705 1.00 51.53 H new ATOM 0 HB2 SER A 58 4.442 7.428 34.016 1.00 45.55 H new ATOM 0 HB3 SER A 58 2.936 6.616 33.633 1.00 45.55 H new ATOM 0 HG SER A 58 4.246 5.389 35.101 1.00 70.12 H new ATOM 838 N GLN A 59 3.099 8.468 31.257 1.00 40.32 N ATOM 839 CA GLN A 59 2.037 9.146 30.522 1.00 64.32 C ATOM 840 C GLN A 59 2.554 9.685 29.192 1.00 5.44 C ATOM 841 O GLN A 59 1.808 10.294 28.426 1.00 61.51 O ATOM 842 CB GLN A 59 1.457 10.287 31.358 1.00 4.54 C ATOM 843 CG GLN A 59 2.511 11.238 31.904 1.00 31.33 C ATOM 844 CD GLN A 59 2.485 11.331 33.417 1.00 11.02 C ATOM 845 OE1 GLN A 59 2.237 12.397 33.981 1.00 40.43 O ATOM 846 NE2 GLN A 59 2.741 10.212 34.084 1.00 21.31 N ATOM 0 H GLN A 59 3.710 9.090 31.786 1.00 40.32 H new ATOM 0 HA GLN A 59 1.250 8.420 30.317 1.00 64.32 H new ATOM 0 HB2 GLN A 59 0.752 10.851 30.748 1.00 4.54 H new ATOM 0 HB3 GLN A 59 0.893 9.866 32.190 1.00 4.54 H new ATOM 0 HG2 GLN A 59 3.497 10.905 31.581 1.00 31.33 H new ATOM 0 HG3 GLN A 59 2.355 12.230 31.480 1.00 31.33 H new ATOM 0 HE21 GLN A 59 2.942 9.350 33.576 1.00 21.31 H new ATOM 0 HE22 GLN A 59 2.737 10.214 35.104 1.00 21.31 H new ATOM 855 N ALA A 60 3.837 9.459 28.926 1.00 73.00 N ATOM 856 CA ALA A 60 4.453 9.921 27.689 1.00 50.15 C ATOM 857 C ALA A 60 4.019 9.062 26.505 1.00 5.43 C ATOM 858 O ALA A 60 4.818 8.312 25.943 1.00 10.43 O ATOM 859 CB ALA A 60 5.969 9.916 27.820 1.00 72.32 C ATOM 0 H ALA A 60 4.469 8.959 29.551 1.00 73.00 H new ATOM 0 HA ALA A 60 4.119 10.942 27.505 1.00 50.15 H new ATOM 0 HB1 ALA A 60 6.416 10.263 26.888 1.00 72.32 H new ATOM 0 HB2 ALA A 60 6.266 10.577 28.634 1.00 72.32 H new ATOM 0 HB3 ALA A 60 6.313 8.903 28.032 1.00 72.32 H new ATOM 865 N LYS A 61 2.750 9.176 26.132 1.00 55.15 N ATOM 866 CA LYS A 61 2.209 8.411 25.014 1.00 32.25 C ATOM 867 C LYS A 61 1.706 9.338 23.913 1.00 75.13 C ATOM 868 O LYS A 61 1.077 10.361 24.187 1.00 64.41 O ATOM 869 CB LYS A 61 1.071 7.505 25.493 1.00 44.52 C ATOM 870 CG LYS A 61 1.177 6.077 24.986 1.00 13.43 C ATOM 871 CD LYS A 61 1.564 5.118 26.099 1.00 15.04 C ATOM 872 CE LYS A 61 3.058 5.162 26.378 1.00 21.44 C ATOM 873 NZ LYS A 61 3.560 3.866 26.915 1.00 0.42 N ATOM 0 H LYS A 61 2.076 9.791 26.587 1.00 55.15 H new ATOM 0 HA LYS A 61 3.010 7.794 24.607 1.00 32.25 H new ATOM 0 HB2 LYS A 61 1.060 7.495 26.583 1.00 44.52 H new ATOM 0 HB3 LYS A 61 0.120 7.927 25.168 1.00 44.52 H new ATOM 0 HG2 LYS A 61 0.223 5.771 24.556 1.00 13.43 H new ATOM 0 HG3 LYS A 61 1.917 6.027 24.188 1.00 13.43 H new ATOM 0 HD2 LYS A 61 1.016 5.372 27.006 1.00 15.04 H new ATOM 0 HD3 LYS A 61 1.274 4.104 25.824 1.00 15.04 H new ATOM 0 HE2 LYS A 61 3.592 5.406 25.460 1.00 21.44 H new ATOM 0 HE3 LYS A 61 3.271 5.958 27.092 1.00 21.44 H new ATOM 0 HZ1 LYS A 61 4.582 3.936 27.092 1.00 0.42 H new ATOM 0 HZ2 LYS A 61 3.069 3.645 27.805 1.00 0.42 H new ATOM 0 HZ3 LYS A 61 3.380 3.111 26.223 1.00 0.42 H new ATOM 887 N VAL A 62 1.984 8.973 22.665 1.00 3.22 N ATOM 888 CA VAL A 62 1.558 9.771 21.522 1.00 74.01 C ATOM 889 C VAL A 62 1.296 8.891 20.305 1.00 51.12 C ATOM 890 O VAL A 62 2.048 7.957 20.028 1.00 32.43 O ATOM 891 CB VAL A 62 2.610 10.835 21.156 1.00 75.11 C ATOM 892 CG1 VAL A 62 2.491 12.041 22.075 1.00 41.33 C ATOM 893 CG2 VAL A 62 4.009 10.243 21.218 1.00 64.34 C ATOM 0 H VAL A 62 2.503 8.129 22.420 1.00 3.22 H new ATOM 0 HA VAL A 62 0.633 10.270 21.812 1.00 74.01 H new ATOM 0 HB VAL A 62 2.426 11.167 20.134 1.00 75.11 H new ATOM 0 HG11 VAL A 62 3.242 12.782 21.802 1.00 41.33 H new ATOM 0 HG12 VAL A 62 1.497 12.478 21.976 1.00 41.33 H new ATOM 0 HG13 VAL A 62 2.648 11.729 23.107 1.00 41.33 H new ATOM 0 HG21 VAL A 62 4.740 11.008 20.957 1.00 64.34 H new ATOM 0 HG22 VAL A 62 4.207 9.882 22.227 1.00 64.34 H new ATOM 0 HG23 VAL A 62 4.085 9.414 20.515 1.00 64.34 H new ATOM 903 N SER A 63 0.224 9.197 19.580 1.00 65.31 N ATOM 904 CA SER A 63 -0.139 8.431 18.393 1.00 11.40 C ATOM 905 C SER A 63 0.411 9.091 17.132 1.00 63.40 C ATOM 906 O SER A 63 -0.134 8.923 16.042 1.00 32.32 O ATOM 907 CB SER A 63 -1.660 8.300 18.291 1.00 21.12 C ATOM 908 OG SER A 63 -2.023 7.173 17.512 1.00 14.15 O ATOM 0 H SER A 63 -0.407 9.969 19.794 1.00 65.31 H new ATOM 0 HA SER A 63 0.299 7.437 18.483 1.00 11.40 H new ATOM 0 HB2 SER A 63 -2.088 8.209 19.289 1.00 21.12 H new ATOM 0 HB3 SER A 63 -2.077 9.203 17.846 1.00 21.12 H new ATOM 0 HG SER A 63 -1.594 7.231 16.633 1.00 14.15 H new ATOM 914 N ASN A 64 1.496 9.842 17.290 1.00 63.21 N ATOM 915 CA ASN A 64 2.121 10.528 16.165 1.00 65.42 C ATOM 916 C ASN A 64 2.711 9.526 15.176 1.00 33.24 C ATOM 917 O ASN A 64 3.812 9.015 15.377 1.00 31.54 O ATOM 918 CB ASN A 64 3.216 11.474 16.662 1.00 13.40 C ATOM 919 CG ASN A 64 4.290 10.752 17.451 1.00 4.15 C ATOM 920 OD1 ASN A 64 3.993 9.960 18.346 1.00 53.21 O ATOM 921 ND2 ASN A 64 5.548 11.023 17.123 1.00 3.13 N ATOM 0 H ASN A 64 1.961 9.991 18.186 1.00 63.21 H new ATOM 0 HA ASN A 64 1.353 11.108 15.654 1.00 65.42 H new ATOM 0 HB2 ASN A 64 3.672 11.977 15.809 1.00 13.40 H new ATOM 0 HB3 ASN A 64 2.768 12.247 17.286 1.00 13.40 H new ATOM 0 HD21 ASN A 64 6.314 10.568 17.620 1.00 3.13 H new ATOM 0 HD22 ASN A 64 5.748 11.686 16.374 1.00 3.13 H new ATOM 928 N ALA A 65 1.969 9.251 14.108 1.00 25.01 N ATOM 929 CA ALA A 65 2.419 8.313 13.087 1.00 2.01 C ATOM 930 C ALA A 65 1.393 8.188 11.966 1.00 42.51 C ATOM 931 O ALA A 65 1.750 8.009 10.802 1.00 45.34 O ATOM 932 CB ALA A 65 2.695 6.951 13.706 1.00 30.14 C ATOM 0 H ALA A 65 1.054 9.664 13.928 1.00 25.01 H new ATOM 0 HA ALA A 65 3.343 8.699 12.657 1.00 2.01 H new ATOM 0 HB1 ALA A 65 3.030 6.261 12.932 1.00 30.14 H new ATOM 0 HB2 ALA A 65 3.470 7.047 14.467 1.00 30.14 H new ATOM 0 HB3 ALA A 65 1.783 6.568 14.164 1.00 30.14 H new ATOM 938 N SER A 66 0.117 8.284 12.325 1.00 71.24 N ATOM 939 CA SER A 66 -0.961 8.177 11.349 1.00 55.22 C ATOM 940 C SER A 66 -0.788 9.203 10.233 1.00 10.32 C ATOM 941 O SER A 66 -0.868 8.870 9.051 1.00 23.25 O ATOM 942 CB SER A 66 -2.317 8.373 12.031 1.00 4.23 C ATOM 943 OG SER A 66 -2.979 7.134 12.215 1.00 0.02 O ATOM 0 H SER A 66 -0.196 8.436 13.284 1.00 71.24 H new ATOM 0 HA SER A 66 -0.923 7.180 10.911 1.00 55.22 H new ATOM 0 HB2 SER A 66 -2.175 8.860 12.996 1.00 4.23 H new ATOM 0 HB3 SER A 66 -2.939 9.035 11.428 1.00 4.23 H new ATOM 0 HG SER A 66 -3.842 7.286 12.654 1.00 0.02 H new ATOM 949 N GLU A 67 -0.550 10.453 10.619 1.00 55.11 N ATOM 950 CA GLU A 67 -0.367 11.529 9.651 1.00 24.45 C ATOM 951 C GLU A 67 -0.202 12.872 10.356 1.00 3.02 C ATOM 952 O GLU A 67 0.904 13.406 10.450 1.00 22.34 O ATOM 953 CB GLU A 67 -1.555 11.587 8.689 1.00 3.51 C ATOM 954 CG GLU A 67 -1.220 11.128 7.280 1.00 31.41 C ATOM 955 CD GLU A 67 -1.021 12.285 6.321 1.00 73.25 C ATOM 956 OE1 GLU A 67 -0.289 13.232 6.676 1.00 73.12 O ATOM 957 OE2 GLU A 67 -1.598 12.242 5.214 1.00 52.54 O ATOM 0 H GLU A 67 -0.479 10.745 11.594 1.00 55.11 H new ATOM 0 HA GLU A 67 0.540 11.323 9.083 1.00 24.45 H new ATOM 0 HB2 GLU A 67 -2.361 10.967 9.082 1.00 3.51 H new ATOM 0 HB3 GLU A 67 -1.930 12.610 8.649 1.00 3.51 H new ATOM 0 HG2 GLU A 67 -0.314 10.522 7.305 1.00 31.41 H new ATOM 0 HG3 GLU A 67 -2.021 10.488 6.910 1.00 31.41 H new ATOM 964 N THR A 68 -1.310 13.415 10.850 1.00 74.21 N ATOM 965 CA THR A 68 -1.290 14.696 11.544 1.00 34.03 C ATOM 966 C THR A 68 -2.019 14.609 12.880 1.00 30.44 C ATOM 967 O THR A 68 -2.515 15.611 13.396 1.00 73.43 O ATOM 968 CB THR A 68 -1.934 15.806 10.693 1.00 55.41 C ATOM 969 OG1 THR A 68 -3.359 15.772 10.838 1.00 24.35 O ATOM 970 CG2 THR A 68 -1.565 15.646 9.226 1.00 55.32 C ATOM 0 H THR A 68 -2.233 12.987 10.782 1.00 74.21 H new ATOM 0 HA THR A 68 -0.243 14.944 11.719 1.00 34.03 H new ATOM 0 HB THR A 68 -1.557 16.767 11.044 1.00 55.41 H new ATOM 0 HG1 THR A 68 -3.760 16.482 10.295 1.00 24.35 H new ATOM 0 HG21 THR A 68 -2.031 16.441 8.645 1.00 55.32 H new ATOM 0 HG22 THR A 68 -0.482 15.703 9.115 1.00 55.32 H new ATOM 0 HG23 THR A 68 -1.917 14.679 8.866 1.00 55.32 H new ATOM 978 N LYS A 69 -2.080 13.404 13.438 1.00 3.22 N ATOM 979 CA LYS A 69 -2.746 13.185 14.717 1.00 50.25 C ATOM 980 C LYS A 69 -2.135 14.061 15.806 1.00 61.22 C ATOM 981 O LYS A 69 -2.616 15.161 16.075 1.00 73.45 O ATOM 982 CB LYS A 69 -2.651 11.712 15.119 1.00 70.33 C ATOM 983 CG LYS A 69 -3.842 10.881 14.672 1.00 0.44 C ATOM 984 CD LYS A 69 -3.987 10.882 13.160 1.00 63.12 C ATOM 985 CE LYS A 69 -4.969 11.946 12.694 1.00 22.12 C ATOM 986 NZ LYS A 69 -5.914 11.419 11.671 1.00 21.22 N ATOM 0 H LYS A 69 -1.676 12.564 13.024 1.00 3.22 H new ATOM 0 HA LYS A 69 -3.795 13.457 14.603 1.00 50.25 H new ATOM 0 HB2 LYS A 69 -1.742 11.286 14.695 1.00 70.33 H new ATOM 0 HB3 LYS A 69 -2.558 11.645 16.203 1.00 70.33 H new ATOM 0 HG2 LYS A 69 -3.726 9.857 15.026 1.00 0.44 H new ATOM 0 HG3 LYS A 69 -4.752 11.274 15.126 1.00 0.44 H new ATOM 0 HD2 LYS A 69 -3.014 11.057 12.700 1.00 63.12 H new ATOM 0 HD3 LYS A 69 -4.326 9.901 12.825 1.00 63.12 H new ATOM 0 HE2 LYS A 69 -5.532 12.320 13.549 1.00 22.12 H new ATOM 0 HE3 LYS A 69 -4.419 12.791 12.279 1.00 22.12 H new ATOM 0 HZ1 LYS A 69 -6.567 12.174 11.379 1.00 21.22 H new ATOM 0 HZ2 LYS A 69 -5.379 11.085 10.844 1.00 21.22 H new ATOM 0 HZ3 LYS A 69 -6.457 10.629 12.074 1.00 21.22 H new ATOM 1000 N GLY A 70 -1.070 13.565 16.429 1.00 0.52 N ATOM 1001 CA GLY A 70 -0.410 14.317 17.481 1.00 60.31 C ATOM 1002 C GLY A 70 -1.034 14.080 18.842 1.00 53.13 C ATOM 1003 O GLY A 70 -0.528 14.559 19.857 1.00 25.44 O ATOM 0 H GLY A 70 -0.653 12.657 16.224 1.00 0.52 H new ATOM 0 HA2 GLY A 70 0.644 14.040 17.515 1.00 60.31 H new ATOM 0 HA3 GLY A 70 -0.453 15.380 17.245 1.00 60.31 H new ATOM 1007 N LEU A 71 -2.138 13.342 18.864 1.00 73.31 N ATOM 1008 CA LEU A 71 -2.834 13.044 20.111 1.00 75.52 C ATOM 1009 C LEU A 71 -1.869 12.494 21.156 1.00 45.52 C ATOM 1010 O LEU A 71 -1.129 11.545 20.895 1.00 0.42 O ATOM 1011 CB LEU A 71 -3.960 12.038 19.862 1.00 61.14 C ATOM 1012 CG LEU A 71 -4.794 12.263 18.600 1.00 12.22 C ATOM 1013 CD1 LEU A 71 -5.964 11.293 18.554 1.00 71.43 C ATOM 1014 CD2 LEU A 71 -5.289 13.701 18.538 1.00 62.13 C ATOM 0 H LEU A 71 -2.571 12.939 18.033 1.00 73.31 H new ATOM 0 HA LEU A 71 -3.261 13.973 20.490 1.00 75.52 H new ATOM 0 HB2 LEU A 71 -3.524 11.040 19.812 1.00 61.14 H new ATOM 0 HB3 LEU A 71 -4.629 12.051 20.723 1.00 61.14 H new ATOM 0 HG LEU A 71 -4.161 12.079 17.732 1.00 12.22 H new ATOM 0 HD11 LEU A 71 -6.546 11.468 17.649 1.00 71.43 H new ATOM 0 HD12 LEU A 71 -5.588 10.270 18.552 1.00 71.43 H new ATOM 0 HD13 LEU A 71 -6.597 11.445 19.428 1.00 71.43 H new ATOM 0 HD21 LEU A 71 -5.881 13.843 17.634 1.00 62.13 H new ATOM 0 HD22 LEU A 71 -5.905 13.912 19.412 1.00 62.13 H new ATOM 0 HD23 LEU A 71 -4.436 14.379 18.524 1.00 62.13 H new ATOM 1026 N VAL A 72 -1.882 13.097 22.341 1.00 60.51 N ATOM 1027 CA VAL A 72 -1.010 12.666 23.427 1.00 2.01 C ATOM 1028 C VAL A 72 -1.820 12.147 24.609 1.00 20.54 C ATOM 1029 O VAL A 72 -2.465 12.917 25.322 1.00 61.14 O ATOM 1030 CB VAL A 72 -0.101 13.814 23.906 1.00 34.01 C ATOM 1031 CG1 VAL A 72 -0.908 15.090 24.095 1.00 64.14 C ATOM 1032 CG2 VAL A 72 0.610 13.428 25.194 1.00 21.20 C ATOM 0 H VAL A 72 -2.487 13.885 22.573 1.00 60.51 H new ATOM 0 HA VAL A 72 -0.389 11.861 23.034 1.00 2.01 H new ATOM 0 HB VAL A 72 0.654 13.999 23.142 1.00 34.01 H new ATOM 0 HG11 VAL A 72 -0.250 15.890 24.434 1.00 64.14 H new ATOM 0 HG12 VAL A 72 -1.367 15.374 23.148 1.00 64.14 H new ATOM 0 HG13 VAL A 72 -1.686 14.921 24.839 1.00 64.14 H new ATOM 0 HG21 VAL A 72 1.248 14.250 25.518 1.00 21.20 H new ATOM 0 HG22 VAL A 72 -0.128 13.215 25.967 1.00 21.20 H new ATOM 0 HG23 VAL A 72 1.221 12.542 25.021 1.00 21.20 H new ATOM 1042 N THR A 73 -1.783 10.833 24.814 1.00 4.42 N ATOM 1043 CA THR A 73 -2.514 10.210 25.910 1.00 64.30 C ATOM 1044 C THR A 73 -1.586 9.885 27.075 1.00 21.50 C ATOM 1045 O THR A 73 -0.396 9.640 26.884 1.00 65.32 O ATOM 1046 CB THR A 73 -3.217 8.918 25.453 1.00 61.14 C ATOM 1047 OG1 THR A 73 -3.463 8.967 24.043 1.00 64.43 O ATOM 1048 CG2 THR A 73 -4.531 8.725 26.195 1.00 4.00 C ATOM 0 H THR A 73 -1.254 10.181 24.235 1.00 4.42 H new ATOM 0 HA THR A 73 -3.266 10.928 26.237 1.00 64.30 H new ATOM 0 HB THR A 73 -2.563 8.076 25.679 1.00 61.14 H new ATOM 0 HG1 THR A 73 -3.776 8.091 23.735 1.00 64.43 H new ATOM 0 HG21 THR A 73 -5.009 7.806 25.855 1.00 4.00 H new ATOM 0 HG22 THR A 73 -4.338 8.659 27.266 1.00 4.00 H new ATOM 0 HG23 THR A 73 -5.189 9.571 25.996 1.00 4.00 H new ATOM 1056 N GLY A 74 -2.139 9.883 28.284 1.00 15.20 N ATOM 1057 CA GLY A 74 -1.347 9.586 29.463 1.00 64.04 C ATOM 1058 C GLY A 74 -1.853 8.368 30.210 1.00 64.13 C ATOM 1059 O GLY A 74 -2.892 7.806 29.862 1.00 65.21 O ATOM 0 H GLY A 74 -3.122 10.082 28.468 1.00 15.20 H new ATOM 0 HA2 GLY A 74 -0.310 9.423 29.169 1.00 64.04 H new ATOM 0 HA3 GLY A 74 -1.357 10.448 30.130 1.00 64.04 H new ATOM 1063 N ILE A 75 -1.117 7.958 31.237 1.00 3.33 N ATOM 1064 CA ILE A 75 -1.497 6.799 32.034 1.00 30.34 C ATOM 1065 C ILE A 75 -1.798 7.197 33.475 1.00 21.14 C ATOM 1066 O ILE A 75 -2.796 6.767 34.053 1.00 1.42 O ATOM 1067 CB ILE A 75 -0.392 5.726 32.030 1.00 32.31 C ATOM 1068 CG1 ILE A 75 -0.143 5.225 30.606 1.00 2.10 C ATOM 1069 CG2 ILE A 75 -0.772 4.571 32.945 1.00 71.34 C ATOM 1070 CD1 ILE A 75 -1.344 4.548 29.984 1.00 13.33 C ATOM 0 H ILE A 75 -0.254 8.411 31.537 1.00 3.33 H new ATOM 0 HA ILE A 75 -2.396 6.385 31.579 1.00 30.34 H new ATOM 0 HB ILE A 75 0.529 6.172 32.404 1.00 32.31 H new ATOM 0 HG12 ILE A 75 0.154 6.067 29.980 1.00 2.10 H new ATOM 0 HG13 ILE A 75 0.693 4.526 30.617 1.00 2.10 H new ATOM 0 HG21 ILE A 75 0.019 3.821 32.932 1.00 71.34 H new ATOM 0 HG22 ILE A 75 -0.904 4.941 33.962 1.00 71.34 H new ATOM 0 HG23 ILE A 75 -1.703 4.123 32.598 1.00 71.34 H new ATOM 0 HD11 ILE A 75 -1.094 4.219 28.975 1.00 13.33 H new ATOM 0 HD12 ILE A 75 -1.629 3.686 30.587 1.00 13.33 H new ATOM 0 HD13 ILE A 75 -2.176 5.251 29.941 1.00 13.33 H new ATOM 1082 N ALA A 76 -0.928 8.022 34.049 1.00 34.03 N ATOM 1083 CA ALA A 76 -1.103 8.482 35.421 1.00 22.35 C ATOM 1084 C ALA A 76 -1.521 9.948 35.460 1.00 35.53 C ATOM 1085 O ALA A 76 -1.556 10.621 34.430 1.00 25.33 O ATOM 1086 CB ALA A 76 0.180 8.276 36.214 1.00 34.10 C ATOM 0 H ALA A 76 -0.095 8.385 33.585 1.00 34.03 H new ATOM 0 HA ALA A 76 -1.898 7.892 35.877 1.00 22.35 H new ATOM 0 HB1 ALA A 76 0.035 8.624 37.237 1.00 34.10 H new ATOM 0 HB2 ALA A 76 0.436 7.216 36.224 1.00 34.10 H new ATOM 0 HB3 ALA A 76 0.989 8.840 35.750 1.00 34.10 H new ATOM 1092 N SER A 77 -1.840 10.436 36.655 1.00 71.32 N ATOM 1093 CA SER A 77 -2.261 11.821 36.827 1.00 52.22 C ATOM 1094 C SER A 77 -1.055 12.755 36.860 1.00 54.32 C ATOM 1095 O SER A 77 0.066 12.351 36.554 1.00 54.42 O ATOM 1096 CB SER A 77 -3.074 11.973 38.114 1.00 1.31 C ATOM 1097 OG SER A 77 -2.233 11.948 39.254 1.00 3.12 O ATOM 0 H SER A 77 -1.815 9.893 37.518 1.00 71.32 H new ATOM 0 HA SER A 77 -2.886 12.093 35.977 1.00 52.22 H new ATOM 0 HB2 SER A 77 -3.629 12.910 38.088 1.00 1.31 H new ATOM 0 HB3 SER A 77 -3.808 11.170 38.182 1.00 1.31 H new ATOM 0 HG SER A 77 -2.776 12.049 40.063 1.00 3.12 H new ATOM 1103 N GLY A 78 -1.296 14.009 37.234 1.00 65.51 N ATOM 1104 CA GLY A 78 -0.221 14.982 37.300 1.00 20.32 C ATOM 1105 C GLY A 78 -0.235 15.942 36.128 1.00 53.14 C ATOM 1106 O GLY A 78 -1.134 15.895 35.289 1.00 70.51 O ATOM 0 H GLY A 78 -2.215 14.367 37.492 1.00 65.51 H new ATOM 0 HA2 GLY A 78 -0.303 15.546 38.229 1.00 20.32 H new ATOM 0 HA3 GLY A 78 0.736 14.460 37.327 1.00 20.32 H new ATOM 1110 N ASN A 79 0.763 16.818 36.070 1.00 71.34 N ATOM 1111 CA ASN A 79 0.860 17.796 34.992 1.00 62.40 C ATOM 1112 C ASN A 79 2.118 17.565 34.160 1.00 22.02 C ATOM 1113 O ASN A 79 3.060 18.357 34.182 1.00 45.13 O ATOM 1114 CB ASN A 79 0.865 19.215 35.562 1.00 5.34 C ATOM 1115 CG ASN A 79 -0.386 19.522 36.363 1.00 62.54 C ATOM 1116 OD1 ASN A 79 -1.475 19.050 36.037 1.00 32.40 O ATOM 1117 ND2 ASN A 79 -0.235 20.316 37.416 1.00 64.11 N ATOM 0 H ASN A 79 1.516 16.871 36.756 1.00 71.34 H new ATOM 0 HA ASN A 79 -0.009 17.675 34.345 1.00 62.40 H new ATOM 0 HB2 ASN A 79 1.741 19.345 36.198 1.00 5.34 H new ATOM 0 HB3 ASN A 79 0.955 19.931 34.745 1.00 5.34 H new ATOM 0 HD21 ASN A 79 -1.041 20.558 37.992 1.00 64.11 H new ATOM 0 HD22 ASN A 79 0.687 20.684 37.649 1.00 64.11 H new ATOM 1124 N PRO A 80 2.135 16.454 33.408 1.00 1.33 N ATOM 1125 CA PRO A 80 3.270 16.094 32.554 1.00 25.11 C ATOM 1126 C PRO A 80 3.413 17.025 31.355 1.00 12.53 C ATOM 1127 O PRO A 80 2.432 17.344 30.682 1.00 35.45 O ATOM 1128 CB PRO A 80 2.930 14.675 32.091 1.00 12.13 C ATOM 1129 CG PRO A 80 1.444 14.597 32.173 1.00 64.44 C ATOM 1130 CD PRO A 80 1.047 15.465 33.334 1.00 53.22 C ATOM 0 HA PRO A 80 4.219 16.168 33.086 1.00 25.11 H new ATOM 0 HB2 PRO A 80 3.281 14.495 31.075 1.00 12.13 H new ATOM 0 HB3 PRO A 80 3.402 13.927 32.728 1.00 12.13 H new ATOM 0 HG2 PRO A 80 0.983 14.947 31.249 1.00 64.44 H new ATOM 0 HG3 PRO A 80 1.115 13.569 32.324 1.00 64.44 H new ATOM 0 HD2 PRO A 80 0.081 15.942 33.167 1.00 53.22 H new ATOM 0 HD3 PRO A 80 0.964 14.890 34.256 1.00 53.22 H new ATOM 1138 N THR A 81 4.641 17.460 31.092 1.00 42.40 N ATOM 1139 CA THR A 81 4.912 18.356 29.975 1.00 53.24 C ATOM 1140 C THR A 81 5.476 17.593 28.782 1.00 72.41 C ATOM 1141 O THR A 81 6.482 16.892 28.901 1.00 53.41 O ATOM 1142 CB THR A 81 5.901 19.468 30.372 1.00 20.25 C ATOM 1143 OG1 THR A 81 5.380 20.215 31.477 1.00 54.31 O ATOM 1144 CG2 THR A 81 6.165 20.402 29.201 1.00 24.41 C ATOM 0 H THR A 81 5.464 17.206 31.638 1.00 42.40 H new ATOM 0 HA THR A 81 3.960 18.809 29.697 1.00 53.24 H new ATOM 0 HB THR A 81 6.842 19.000 30.661 1.00 20.25 H new ATOM 0 HG1 THR A 81 6.015 20.919 31.725 1.00 54.31 H new ATOM 0 HG21 THR A 81 6.866 21.179 29.506 1.00 24.41 H new ATOM 0 HG22 THR A 81 6.589 19.835 28.372 1.00 24.41 H new ATOM 0 HG23 THR A 81 5.229 20.862 28.884 1.00 24.41 H new ATOM 1152 N ILE A 82 4.823 17.732 27.633 1.00 13.43 N ATOM 1153 CA ILE A 82 5.261 17.057 26.419 1.00 62.44 C ATOM 1154 C ILE A 82 6.025 18.009 25.505 1.00 25.21 C ATOM 1155 O ILE A 82 5.468 18.987 25.006 1.00 64.12 O ATOM 1156 CB ILE A 82 4.070 16.464 25.643 1.00 40.24 C ATOM 1157 CG1 ILE A 82 3.002 17.535 25.409 1.00 63.12 C ATOM 1158 CG2 ILE A 82 3.484 15.279 26.396 1.00 52.41 C ATOM 1159 CD1 ILE A 82 2.636 17.715 23.952 1.00 34.53 C ATOM 0 H ILE A 82 3.988 18.307 27.518 1.00 13.43 H new ATOM 0 HA ILE A 82 5.921 16.247 26.730 1.00 62.44 H new ATOM 0 HB ILE A 82 4.425 16.114 24.674 1.00 40.24 H new ATOM 0 HG12 ILE A 82 2.106 17.272 25.971 1.00 63.12 H new ATOM 0 HG13 ILE A 82 3.359 18.485 25.806 1.00 63.12 H new ATOM 0 HG21 ILE A 82 2.643 14.871 25.835 1.00 52.41 H new ATOM 0 HG22 ILE A 82 4.248 14.510 26.516 1.00 52.41 H new ATOM 0 HG23 ILE A 82 3.141 15.605 27.378 1.00 52.41 H new ATOM 0 HD11 ILE A 82 1.874 18.489 23.861 1.00 34.53 H new ATOM 0 HD12 ILE A 82 3.521 18.009 23.388 1.00 34.53 H new ATOM 0 HD13 ILE A 82 2.249 16.776 23.556 1.00 34.53 H new ATOM 1171 N ILE A 83 7.303 17.715 25.290 1.00 43.15 N ATOM 1172 CA ILE A 83 8.143 18.544 24.433 1.00 21.55 C ATOM 1173 C ILE A 83 8.306 17.918 23.052 1.00 2.23 C ATOM 1174 O ILE A 83 8.378 16.697 22.917 1.00 14.11 O ATOM 1175 CB ILE A 83 9.536 18.762 25.053 1.00 10.52 C ATOM 1176 CG1 ILE A 83 9.406 19.163 26.524 1.00 24.23 C ATOM 1177 CG2 ILE A 83 10.301 19.823 24.275 1.00 20.25 C ATOM 1178 CD1 ILE A 83 8.684 20.476 26.732 1.00 64.31 C ATOM 0 H ILE A 83 7.779 16.910 25.697 1.00 43.15 H new ATOM 0 HA ILE A 83 7.642 19.507 24.336 1.00 21.55 H new ATOM 0 HB ILE A 83 10.093 17.827 24.999 1.00 10.52 H new ATOM 0 HG12 ILE A 83 8.875 18.377 27.061 1.00 24.23 H new ATOM 0 HG13 ILE A 83 10.401 19.232 26.963 1.00 24.23 H new ATOM 0 HG21 ILE A 83 11.283 19.966 24.725 1.00 20.25 H new ATOM 0 HG22 ILE A 83 10.419 19.501 23.240 1.00 20.25 H new ATOM 0 HG23 ILE A 83 9.749 20.763 24.302 1.00 20.25 H new ATOM 0 HD11 ILE A 83 8.629 20.696 27.798 1.00 64.31 H new ATOM 0 HD12 ILE A 83 9.226 21.274 26.224 1.00 64.31 H new ATOM 0 HD13 ILE A 83 7.676 20.405 26.324 1.00 64.31 H new ATOM 1190 N ALA A 84 8.366 18.764 22.029 1.00 2.21 N ATOM 1191 CA ALA A 84 8.525 18.295 20.658 1.00 21.12 C ATOM 1192 C ALA A 84 9.817 18.823 20.043 1.00 15.52 C ATOM 1193 O ALA A 84 10.132 20.008 20.157 1.00 11.54 O ATOM 1194 CB ALA A 84 7.328 18.711 19.816 1.00 62.10 C ATOM 0 H ALA A 84 8.307 19.778 22.124 1.00 2.21 H new ATOM 0 HA ALA A 84 8.581 17.207 20.677 1.00 21.12 H new ATOM 0 HB1 ALA A 84 7.460 18.354 18.795 1.00 62.10 H new ATOM 0 HB2 ALA A 84 6.420 18.279 20.237 1.00 62.10 H new ATOM 0 HB3 ALA A 84 7.245 19.798 19.813 1.00 62.10 H new ATOM 1200 N THR A 85 10.562 17.937 19.391 1.00 61.03 N ATOM 1201 CA THR A 85 11.820 18.314 18.759 1.00 24.23 C ATOM 1202 C THR A 85 11.816 17.967 17.275 1.00 41.21 C ATOM 1203 O THR A 85 11.641 16.808 16.899 1.00 41.04 O ATOM 1204 CB THR A 85 13.018 17.618 19.434 1.00 51.12 C ATOM 1205 OG1 THR A 85 12.791 17.510 20.844 1.00 62.05 O ATOM 1206 CG2 THR A 85 14.305 18.388 19.180 1.00 53.55 C ATOM 0 H THR A 85 10.316 16.953 19.287 1.00 61.03 H new ATOM 0 HA THR A 85 11.922 19.393 18.876 1.00 24.23 H new ATOM 0 HB THR A 85 13.119 16.621 19.005 1.00 51.12 H new ATOM 0 HG1 THR A 85 13.556 17.065 21.265 1.00 62.05 H new ATOM 0 HG21 THR A 85 15.136 17.878 19.666 1.00 53.55 H new ATOM 0 HG22 THR A 85 14.490 18.443 18.107 1.00 53.55 H new ATOM 0 HG23 THR A 85 14.212 19.396 19.584 1.00 53.55 H new ATOM 1214 N TYR A 86 12.010 18.978 16.436 1.00 43.43 N ATOM 1215 CA TYR A 86 12.027 18.780 14.991 1.00 10.42 C ATOM 1216 C TYR A 86 12.851 19.864 14.302 1.00 23.24 C ATOM 1217 O TYR A 86 12.410 21.004 14.168 1.00 43.30 O ATOM 1218 CB TYR A 86 10.601 18.781 14.439 1.00 74.32 C ATOM 1219 CG TYR A 86 10.498 18.252 13.026 1.00 45.32 C ATOM 1220 CD1 TYR A 86 11.198 17.117 12.636 1.00 72.33 C ATOM 1221 CD2 TYR A 86 9.704 18.889 12.081 1.00 73.14 C ATOM 1222 CE1 TYR A 86 11.108 16.631 11.346 1.00 62.43 C ATOM 1223 CE2 TYR A 86 9.607 18.409 10.789 1.00 51.12 C ATOM 1224 CZ TYR A 86 10.311 17.280 10.426 1.00 21.11 C ATOM 1225 OH TYR A 86 10.219 16.800 9.140 1.00 75.31 O ATOM 0 H TYR A 86 12.158 19.943 16.731 1.00 43.43 H new ATOM 0 HA TYR A 86 12.488 17.814 14.788 1.00 10.42 H new ATOM 0 HB2 TYR A 86 9.968 18.179 15.090 1.00 74.32 H new ATOM 0 HB3 TYR A 86 10.210 19.798 14.467 1.00 74.32 H new ATOM 0 HD1 TYR A 86 11.823 16.606 13.353 1.00 72.33 H new ATOM 0 HD2 TYR A 86 9.153 19.775 12.361 1.00 73.14 H new ATOM 0 HE1 TYR A 86 11.659 15.747 11.059 1.00 62.43 H new ATOM 0 HE2 TYR A 86 8.983 18.915 10.067 1.00 51.12 H new ATOM 0 HH TYR A 86 9.616 17.372 8.620 1.00 75.31 H new ATOM 1235 N GLY A 87 14.053 19.497 13.867 1.00 72.24 N ATOM 1236 CA GLY A 87 14.921 20.447 13.196 1.00 12.22 C ATOM 1237 C GLY A 87 15.580 21.412 14.162 1.00 20.30 C ATOM 1238 O GLY A 87 16.258 20.994 15.101 1.00 44.44 O ATOM 0 H GLY A 87 14.441 18.559 13.967 1.00 72.24 H new ATOM 0 HA2 GLY A 87 15.691 19.906 12.646 1.00 12.22 H new ATOM 0 HA3 GLY A 87 14.342 21.009 12.464 1.00 12.22 H new ATOM 1242 N SER A 88 15.382 22.706 13.931 1.00 21.32 N ATOM 1243 CA SER A 88 15.967 23.733 14.785 1.00 22.32 C ATOM 1244 C SER A 88 14.903 24.376 15.668 1.00 15.42 C ATOM 1245 O SER A 88 15.187 25.300 16.431 1.00 23.53 O ATOM 1246 CB SER A 88 16.655 24.802 13.935 1.00 42.15 C ATOM 1247 OG SER A 88 18.065 24.711 14.043 1.00 1.45 O ATOM 0 H SER A 88 14.821 23.068 13.160 1.00 21.32 H new ATOM 0 HA SER A 88 16.708 23.257 15.427 1.00 22.32 H new ATOM 0 HB2 SER A 88 16.359 24.688 12.892 1.00 42.15 H new ATOM 0 HB3 SER A 88 16.326 25.791 14.253 1.00 42.15 H new ATOM 0 HG SER A 88 18.481 25.404 13.489 1.00 1.45 H new ATOM 1253 N VAL A 89 13.674 23.882 15.558 1.00 35.15 N ATOM 1254 CA VAL A 89 12.565 24.407 16.347 1.00 60.22 C ATOM 1255 C VAL A 89 11.937 23.316 17.207 1.00 25.22 C ATOM 1256 O VAL A 89 11.839 22.162 16.790 1.00 35.10 O ATOM 1257 CB VAL A 89 11.478 25.024 15.446 1.00 24.32 C ATOM 1258 CG1 VAL A 89 10.301 25.502 16.281 1.00 34.15 C ATOM 1259 CG2 VAL A 89 12.055 26.164 14.621 1.00 62.11 C ATOM 0 H VAL A 89 13.421 23.119 14.930 1.00 35.15 H new ATOM 0 HA VAL A 89 12.976 25.183 16.993 1.00 60.22 H new ATOM 0 HB VAL A 89 11.118 24.256 14.761 1.00 24.32 H new ATOM 0 HG11 VAL A 89 9.543 25.935 15.628 1.00 34.15 H new ATOM 0 HG12 VAL A 89 9.874 24.659 16.824 1.00 34.15 H new ATOM 0 HG13 VAL A 89 10.641 26.256 16.991 1.00 34.15 H new ATOM 0 HG21 VAL A 89 11.274 26.588 13.990 1.00 62.11 H new ATOM 0 HG22 VAL A 89 12.443 26.935 15.287 1.00 62.11 H new ATOM 0 HG23 VAL A 89 12.863 25.787 13.994 1.00 62.11 H new ATOM 1269 N SER A 90 11.514 23.689 18.411 1.00 43.03 N ATOM 1270 CA SER A 90 10.899 22.741 19.332 1.00 14.43 C ATOM 1271 C SER A 90 9.704 23.372 20.042 1.00 22.30 C ATOM 1272 O SER A 90 9.662 24.583 20.254 1.00 73.24 O ATOM 1273 CB SER A 90 11.923 22.261 20.362 1.00 33.52 C ATOM 1274 OG SER A 90 12.846 23.287 20.681 1.00 13.34 O ATOM 0 H SER A 90 11.586 24.641 18.771 1.00 43.03 H new ATOM 0 HA SER A 90 10.547 21.886 18.754 1.00 14.43 H new ATOM 0 HB2 SER A 90 11.409 21.936 21.267 1.00 33.52 H new ATOM 0 HB3 SER A 90 12.458 21.395 19.971 1.00 33.52 H new ATOM 0 HG SER A 90 13.488 22.955 21.342 1.00 13.34 H new ATOM 1280 N GLY A 91 8.734 22.539 20.408 1.00 50.14 N ATOM 1281 CA GLY A 91 7.551 23.032 21.089 1.00 24.24 C ATOM 1282 C GLY A 91 7.359 22.394 22.451 1.00 60.21 C ATOM 1283 O GLY A 91 8.210 21.636 22.914 1.00 21.02 O ATOM 0 H GLY A 91 8.747 21.532 20.245 1.00 50.14 H new ATOM 0 HA2 GLY A 91 7.626 24.113 21.205 1.00 24.24 H new ATOM 0 HA3 GLY A 91 6.673 22.838 20.473 1.00 24.24 H new ATOM 1287 N ASN A 92 6.238 22.702 23.094 1.00 13.52 N ATOM 1288 CA ASN A 92 5.937 22.155 24.412 1.00 4.43 C ATOM 1289 C ASN A 92 4.479 22.405 24.786 1.00 43.04 C ATOM 1290 O ASN A 92 3.930 23.473 24.512 1.00 4.03 O ATOM 1291 CB ASN A 92 6.858 22.774 25.466 1.00 24.30 C ATOM 1292 CG ASN A 92 6.645 24.268 25.615 1.00 31.35 C ATOM 1293 OD1 ASN A 92 7.064 25.054 24.766 1.00 73.13 O ATOM 1294 ND2 ASN A 92 5.990 24.666 26.700 1.00 4.01 N ATOM 0 H ASN A 92 5.523 23.328 22.724 1.00 13.52 H new ATOM 0 HA ASN A 92 6.105 21.079 24.378 1.00 4.43 H new ATOM 0 HB2 ASN A 92 6.685 22.288 26.426 1.00 24.30 H new ATOM 0 HB3 ASN A 92 7.896 22.583 25.194 1.00 24.30 H new ATOM 0 HD21 ASN A 92 5.816 25.659 26.855 1.00 4.01 H new ATOM 0 HD22 ASN A 92 5.661 23.979 27.378 1.00 4.01 H new ATOM 1301 N THR A 93 3.856 21.412 25.413 1.00 3.20 N ATOM 1302 CA THR A 93 2.462 21.523 25.824 1.00 64.03 C ATOM 1303 C THR A 93 2.260 20.982 27.235 1.00 43.14 C ATOM 1304 O THR A 93 2.872 19.986 27.621 1.00 62.11 O ATOM 1305 CB THR A 93 1.530 20.767 24.858 1.00 44.10 C ATOM 1306 OG1 THR A 93 2.110 20.727 23.549 1.00 33.31 O ATOM 1307 CG2 THR A 93 0.164 21.432 24.793 1.00 51.30 C ATOM 0 H THR A 93 4.295 20.522 25.647 1.00 3.20 H new ATOM 0 HA THR A 93 2.210 22.583 25.805 1.00 64.03 H new ATOM 0 HB THR A 93 1.404 19.750 25.230 1.00 44.10 H new ATOM 0 HG1 THR A 93 1.445 20.403 22.906 1.00 33.31 H new ATOM 0 HG21 THR A 93 -0.477 20.881 24.105 1.00 51.30 H new ATOM 0 HG22 THR A 93 -0.287 21.435 25.785 1.00 51.30 H new ATOM 0 HG23 THR A 93 0.275 22.458 24.442 1.00 51.30 H new ATOM 1315 N ILE A 94 1.398 21.644 27.999 1.00 4.10 N ATOM 1316 CA ILE A 94 1.115 21.228 29.367 1.00 71.32 C ATOM 1317 C ILE A 94 -0.310 20.702 29.497 1.00 35.40 C ATOM 1318 O ILE A 94 -1.275 21.409 29.202 1.00 4.34 O ATOM 1319 CB ILE A 94 1.315 22.387 30.361 1.00 22.41 C ATOM 1320 CG1 ILE A 94 0.664 23.664 29.827 1.00 41.11 C ATOM 1321 CG2 ILE A 94 2.797 22.610 30.622 1.00 2.33 C ATOM 1322 CD1 ILE A 94 0.198 24.606 30.915 1.00 25.34 C ATOM 0 H ILE A 94 0.884 22.470 27.694 1.00 4.10 H new ATOM 0 HA ILE A 94 1.818 20.430 29.606 1.00 71.32 H new ATOM 0 HB ILE A 94 0.835 22.125 31.304 1.00 22.41 H new ATOM 0 HG12 ILE A 94 1.376 24.185 29.187 1.00 41.11 H new ATOM 0 HG13 ILE A 94 -0.187 23.394 29.202 1.00 41.11 H new ATOM 0 HG21 ILE A 94 2.923 23.432 31.326 1.00 2.33 H new ATOM 0 HG22 ILE A 94 3.233 21.703 31.041 1.00 2.33 H new ATOM 0 HG23 ILE A 94 3.299 22.855 29.686 1.00 2.33 H new ATOM 0 HD11 ILE A 94 -0.253 25.489 30.463 1.00 25.34 H new ATOM 0 HD12 ILE A 94 -0.539 24.103 31.541 1.00 25.34 H new ATOM 0 HD13 ILE A 94 1.049 24.906 31.526 1.00 25.34 H new ATOM 1334 N LEU A 95 -0.437 19.456 29.942 1.00 51.32 N ATOM 1335 CA LEU A 95 -1.746 18.835 30.114 1.00 64.44 C ATOM 1336 C LEU A 95 -1.974 18.440 31.569 1.00 12.43 C ATOM 1337 O LEU A 95 -1.067 17.947 32.241 1.00 74.34 O ATOM 1338 CB LEU A 95 -1.869 17.603 29.215 1.00 51.25 C ATOM 1339 CG LEU A 95 -3.115 16.742 29.423 1.00 32.02 C ATOM 1340 CD1 LEU A 95 -4.348 17.447 28.879 1.00 32.50 C ATOM 1341 CD2 LEU A 95 -2.941 15.382 28.763 1.00 45.34 C ATOM 0 H LEU A 95 0.350 18.856 30.190 1.00 51.32 H new ATOM 0 HA LEU A 95 -2.506 19.563 29.831 1.00 64.44 H new ATOM 0 HB2 LEU A 95 -1.849 17.933 28.176 1.00 51.25 H new ATOM 0 HB3 LEU A 95 -0.990 16.977 29.368 1.00 51.25 H new ATOM 0 HG LEU A 95 -3.252 16.589 30.493 1.00 32.02 H new ATOM 0 HD11 LEU A 95 -5.225 16.819 29.036 1.00 32.50 H new ATOM 0 HD12 LEU A 95 -4.483 18.396 29.398 1.00 32.50 H new ATOM 0 HD13 LEU A 95 -4.220 17.632 27.812 1.00 32.50 H new ATOM 0 HD21 LEU A 95 -3.838 14.783 28.922 1.00 45.34 H new ATOM 0 HD22 LEU A 95 -2.778 15.515 27.693 1.00 45.34 H new ATOM 0 HD23 LEU A 95 -2.082 14.872 29.200 1.00 45.34 H new ATOM 1353 N THR A 96 -3.193 18.660 32.052 1.00 34.31 N ATOM 1354 CA THR A 96 -3.542 18.327 33.427 1.00 32.24 C ATOM 1355 C THR A 96 -4.471 17.119 33.482 1.00 12.41 C ATOM 1356 O THR A 96 -5.644 17.209 33.119 1.00 70.13 O ATOM 1357 CB THR A 96 -4.219 19.514 34.138 1.00 31.24 C ATOM 1358 OG1 THR A 96 -3.431 20.698 33.973 1.00 72.02 O ATOM 1359 CG2 THR A 96 -4.402 19.224 35.620 1.00 34.34 C ATOM 0 H THR A 96 -3.955 19.068 31.511 1.00 34.31 H new ATOM 0 HA THR A 96 -2.610 18.089 33.940 1.00 32.24 H new ATOM 0 HB THR A 96 -5.201 19.666 33.689 1.00 31.24 H new ATOM 0 HG1 THR A 96 -2.613 20.623 34.507 1.00 72.02 H new ATOM 0 HG21 THR A 96 -4.882 20.076 36.101 1.00 34.34 H new ATOM 0 HG22 THR A 96 -5.026 18.339 35.743 1.00 34.34 H new ATOM 0 HG23 THR A 96 -3.429 19.049 36.079 1.00 34.34 H new ATOM 1367 N VAL A 97 -3.940 15.990 33.939 1.00 20.05 N ATOM 1368 CA VAL A 97 -4.723 14.764 34.044 1.00 43.34 C ATOM 1369 C VAL A 97 -4.834 14.305 35.493 1.00 14.11 C ATOM 1370 O VAL A 97 -3.830 14.170 36.191 1.00 15.51 O ATOM 1371 CB VAL A 97 -4.105 13.631 33.204 1.00 62.33 C ATOM 1372 CG1 VAL A 97 -4.371 13.857 31.723 1.00 30.32 C ATOM 1373 CG2 VAL A 97 -2.612 13.520 33.475 1.00 41.45 C ATOM 0 H VAL A 97 -2.971 15.898 34.243 1.00 20.05 H new ATOM 0 HA VAL A 97 -5.718 14.990 33.661 1.00 43.34 H new ATOM 0 HB VAL A 97 -4.574 12.691 33.493 1.00 62.33 H new ATOM 0 HG11 VAL A 97 -3.927 13.046 31.146 1.00 30.32 H new ATOM 0 HG12 VAL A 97 -5.446 13.882 31.546 1.00 30.32 H new ATOM 0 HG13 VAL A 97 -3.931 14.805 31.415 1.00 30.32 H new ATOM 0 HG21 VAL A 97 -2.192 12.714 32.873 1.00 41.45 H new ATOM 0 HG22 VAL A 97 -2.124 14.459 33.215 1.00 41.45 H new ATOM 0 HG23 VAL A 97 -2.449 13.307 34.531 1.00 41.45 H new ATOM 1383 N ASN A 98 -6.063 14.066 35.939 1.00 33.41 N ATOM 1384 CA ASN A 98 -6.307 13.621 37.307 1.00 41.04 C ATOM 1385 C ASN A 98 -6.685 12.143 37.339 1.00 41.30 C ATOM 1386 O ASN A 98 -7.753 11.774 37.829 1.00 44.53 O ATOM 1387 CB ASN A 98 -7.417 14.457 37.947 1.00 50.14 C ATOM 1388 CG ASN A 98 -7.028 15.915 38.100 1.00 63.30 C ATOM 1389 OD1 ASN A 98 -6.520 16.327 39.143 1.00 20.31 O ATOM 1390 ND2 ASN A 98 -7.265 16.703 37.058 1.00 42.10 N ATOM 0 H ASN A 98 -6.905 14.173 35.374 1.00 33.41 H new ATOM 0 HA ASN A 98 -5.387 13.755 37.876 1.00 41.04 H new ATOM 0 HB2 ASN A 98 -8.318 14.386 37.338 1.00 50.14 H new ATOM 0 HB3 ASN A 98 -7.660 14.044 38.926 1.00 50.14 H new ATOM 0 HD21 ASN A 98 -7.024 17.693 37.102 1.00 42.10 H new ATOM 0 HD22 ASN A 98 -7.688 16.318 36.213 1.00 42.10 H new ATOM 1397 N LYS A 99 -5.802 11.301 36.814 1.00 24.34 N ATOM 1398 CA LYS A 99 -6.040 9.863 36.784 1.00 22.40 C ATOM 1399 C LYS A 99 -6.053 9.283 38.195 1.00 14.41 C ATOM 1400 O LYS A 99 -5.002 9.027 38.783 1.00 60.23 O ATOM 1401 CB LYS A 99 -4.967 9.165 35.945 1.00 22.32 C ATOM 1402 CG LYS A 99 -5.188 7.669 35.796 1.00 15.50 C ATOM 1403 CD LYS A 99 -4.354 6.880 36.791 1.00 42.14 C ATOM 1404 CE LYS A 99 -5.223 6.237 37.861 1.00 64.45 C ATOM 1405 NZ LYS A 99 -4.562 6.253 39.195 1.00 13.32 N ATOM 0 H LYS A 99 -4.914 11.590 36.403 1.00 24.34 H new ATOM 0 HA LYS A 99 -7.016 9.692 36.331 1.00 22.40 H new ATOM 0 HB2 LYS A 99 -4.939 9.620 34.955 1.00 22.32 H new ATOM 0 HB3 LYS A 99 -3.992 9.336 36.402 1.00 22.32 H new ATOM 0 HG2 LYS A 99 -6.244 7.440 35.942 1.00 15.50 H new ATOM 0 HG3 LYS A 99 -4.933 7.362 34.782 1.00 15.50 H new ATOM 0 HD2 LYS A 99 -3.792 6.108 36.265 1.00 42.14 H new ATOM 0 HD3 LYS A 99 -3.625 7.540 37.261 1.00 42.14 H new ATOM 0 HE2 LYS A 99 -6.175 6.764 37.921 1.00 64.45 H new ATOM 0 HE3 LYS A 99 -5.446 5.208 37.578 1.00 64.45 H new ATOM 0 HZ1 LYS A 99 -5.224 5.899 39.915 1.00 13.32 H new ATOM 0 HZ2 LYS A 99 -3.719 5.645 39.172 1.00 13.32 H new ATOM 0 HZ3 LYS A 99 -4.281 7.226 39.431 1.00 13.32 H new ATOM 1419 N THR A 100 -7.251 9.078 38.734 1.00 12.03 N ATOM 1420 CA THR A 100 -7.401 8.529 40.076 1.00 75.11 C ATOM 1421 C THR A 100 -7.640 7.024 40.030 1.00 30.04 C ATOM 1422 O THR A 100 -7.119 6.278 40.860 1.00 60.13 O ATOM 1423 CB THR A 100 -8.565 9.199 40.830 1.00 13.11 C ATOM 1424 OG1 THR A 100 -8.644 10.585 40.478 1.00 71.23 O ATOM 1425 CG2 THR A 100 -8.385 9.063 42.334 1.00 31.35 C ATOM 0 H THR A 100 -8.131 9.284 38.262 1.00 12.03 H new ATOM 0 HA THR A 100 -6.470 8.731 40.606 1.00 75.11 H new ATOM 0 HB THR A 100 -9.490 8.698 40.544 1.00 13.11 H new ATOM 0 HG1 THR A 100 -9.388 11.003 40.960 1.00 71.23 H new ATOM 0 HG21 THR A 100 -9.219 9.544 42.845 1.00 31.35 H new ATOM 0 HG22 THR A 100 -8.355 8.007 42.603 1.00 31.35 H new ATOM 0 HG23 THR A 100 -7.452 9.541 42.633 1.00 31.35 H new ATOM 1433 N ASP A 101 -8.430 6.584 39.057 1.00 44.11 N ATOM 1434 CA ASP A 101 -8.736 5.167 38.902 1.00 22.33 C ATOM 1435 C ASP A 101 -7.802 4.517 37.886 1.00 24.44 C ATOM 1436 O ASP A 101 -7.623 5.022 36.778 1.00 54.04 O ATOM 1437 CB ASP A 101 -10.190 4.982 38.468 1.00 74.35 C ATOM 1438 CG ASP A 101 -10.710 3.589 38.763 1.00 72.53 C ATOM 1439 OD1 ASP A 101 -10.331 2.647 38.035 1.00 72.22 O ATOM 1440 OD2 ASP A 101 -11.495 3.440 39.722 1.00 34.40 O ATOM 0 H ASP A 101 -8.870 7.189 38.363 1.00 44.11 H new ATOM 0 HA ASP A 101 -8.588 4.681 39.867 1.00 22.33 H new ATOM 0 HB2 ASP A 101 -10.814 5.715 38.978 1.00 74.35 H new ATOM 0 HB3 ASP A 101 -10.275 5.180 37.399 1.00 74.35 H new ATOM 1445 N THR A 102 -7.206 3.393 38.272 1.00 23.44 N ATOM 1446 CA THR A 102 -6.288 2.674 37.397 1.00 11.50 C ATOM 1447 C THR A 102 -7.005 1.558 36.647 1.00 62.25 C ATOM 1448 O THR A 102 -7.106 1.586 35.420 1.00 62.34 O ATOM 1449 CB THR A 102 -5.112 2.073 38.189 1.00 64.25 C ATOM 1450 OG1 THR A 102 -5.105 2.589 39.524 1.00 4.20 O ATOM 1451 CG2 THR A 102 -3.786 2.387 37.511 1.00 54.12 C ATOM 0 H THR A 102 -7.343 2.961 39.186 1.00 23.44 H new ATOM 0 HA THR A 102 -5.901 3.399 36.681 1.00 11.50 H new ATOM 0 HB THR A 102 -5.239 0.991 38.220 1.00 64.25 H new ATOM 0 HG1 THR A 102 -4.355 2.200 40.021 1.00 4.20 H new ATOM 0 HG21 THR A 102 -2.970 1.952 38.089 1.00 54.12 H new ATOM 0 HG22 THR A 102 -3.783 1.966 36.505 1.00 54.12 H new ATOM 0 HG23 THR A 102 -3.654 3.467 37.453 1.00 54.12 H new TER 1459 THR A 102