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 56 ASN : amide:sc= 0.55 K(o=-4.4,f=-5.7) USER MOD Set 1.2: A 59 GLN : amide:sc= -4.98! C(o=-4.4!,f=-14!) USER MOD Set 2.1: A 49 SER OG : rot -140:sc= 1.99 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.26 USER MOD Set 3.1: A 22 THR OG1 : rot -120:sc= -0.56 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -143:sc= 0.669 (180deg=-0.196) USER MOD Set 4.1: A 23 ASN : amide:sc= -1.22 K(o=-1.7,f=2.1) USER MOD Set 4.2: A 96 THR OG1 : rot -160:sc= -0.448 USER MOD Set 5.1: A 13 SER OG : rot -65:sc= 0.194 USER MOD Set 5.2: A 14 SER OG : rot 180:sc= 0.666 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0023) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 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= -0.0735 USER MOD Single : A 21 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.32) USER MOD Single : A 25 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.42) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 27 THR OG1 : rot 44:sc= 0.591 USER MOD Single : A 29 SER OG : rot 33:sc= 0.724 USER MOD Single : A 31 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.12) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 175:sc= -0.697 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 90:sc= -0.425 USER MOD Single : A 48 SER OG : rot 180:sc= 0 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 -4:sc= -0.336 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.011) 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 -140:sc= -0.309 USER MOD Single : A 64 ASN : amide:sc= -3.19 X(o=-3.2,f=-2.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 128:sc= 0.0343 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00151 K(o=-0.0015,f=0.66) 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= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 93 THR OG1 : rot 169:sc= -3.07! USER MOD Single : A 98 ASN : amide:sc= -0.559 K(o=-0.56,f=-1.8!) USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -0.347 (180deg=-1.17) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 9.584 -1.138 -3.562 1.00 4.55 N ATOM 2 CA GLU A 1 10.870 -1.808 -3.720 1.00 14.12 C ATOM 3 C GLU A 1 11.940 -1.142 -2.860 1.00 42.33 C ATOM 4 O GLU A 1 12.621 -0.218 -3.304 1.00 22.20 O ATOM 5 CB GLU A 1 11.299 -1.796 -5.188 1.00 73.04 C ATOM 6 CG GLU A 1 12.212 -2.951 -5.565 1.00 52.41 C ATOM 7 CD GLU A 1 12.711 -2.857 -6.994 1.00 23.22 C ATOM 8 OE1 GLU A 1 12.296 -1.921 -7.708 1.00 72.32 O ATOM 9 OE2 GLU A 1 13.518 -3.721 -7.397 1.00 44.10 O ATOM 0 H1 GLU A 1 8.872 -1.609 -4.156 1.00 4.55 H new ATOM 0 H2 GLU A 1 9.289 -1.184 -2.566 1.00 4.55 H new ATOM 0 H3 GLU A 1 9.673 -0.143 -3.851 1.00 4.55 H new ATOM 0 HA GLU A 1 10.756 -2.841 -3.391 1.00 14.12 H new ATOM 0 HB2 GLU A 1 10.410 -1.826 -5.818 1.00 73.04 H new ATOM 0 HB3 GLU A 1 11.809 -0.856 -5.401 1.00 73.04 H new ATOM 0 HG2 GLU A 1 13.065 -2.971 -4.887 1.00 52.41 H new ATOM 0 HG3 GLU A 1 11.676 -3.891 -5.432 1.00 52.41 H new ATOM 16 N ASN A 2 12.082 -1.618 -1.627 1.00 54.54 N ATOM 17 CA ASN A 2 13.068 -1.068 -0.704 1.00 41.25 C ATOM 18 C ASN A 2 14.385 -1.832 -0.797 1.00 61.23 C ATOM 19 O ASN A 2 14.493 -2.817 -1.529 1.00 14.11 O ATOM 20 CB ASN A 2 12.538 -1.116 0.730 1.00 54.12 C ATOM 21 CG ASN A 2 11.573 0.016 1.028 1.00 62.11 C ATOM 22 OD1 ASN A 2 11.683 0.685 2.055 1.00 15.04 O ATOM 23 ND2 ASN A 2 10.622 0.235 0.128 1.00 72.33 N ATOM 0 H ASN A 2 11.527 -2.383 -1.244 1.00 54.54 H new ATOM 0 HA ASN A 2 13.250 -0.030 -0.982 1.00 41.25 H new ATOM 0 HB2 ASN A 2 12.038 -2.070 0.898 1.00 54.12 H new ATOM 0 HB3 ASN A 2 13.376 -1.068 1.426 1.00 54.12 H new ATOM 0 HD21 ASN A 2 9.944 0.983 0.274 1.00 72.33 H new ATOM 0 HD22 ASN A 2 10.569 -0.345 -0.709 1.00 72.33 H new ATOM 30 N ILE A 3 15.384 -1.372 -0.051 1.00 34.40 N ATOM 31 CA ILE A 3 16.693 -2.014 -0.048 1.00 15.31 C ATOM 32 C ILE A 3 17.631 -1.343 0.950 1.00 32.30 C ATOM 33 O ILE A 3 18.442 -2.006 1.597 1.00 61.13 O ATOM 34 CB ILE A 3 17.339 -1.981 -1.445 1.00 40.53 C ATOM 35 CG1 ILE A 3 18.707 -2.665 -1.415 1.00 21.03 C ATOM 36 CG2 ILE A 3 17.469 -0.546 -1.935 1.00 4.13 C ATOM 37 CD1 ILE A 3 19.145 -3.201 -2.760 1.00 10.32 C ATOM 0 H ILE A 3 15.312 -0.558 0.559 1.00 34.40 H new ATOM 0 HA ILE A 3 16.536 -3.052 0.246 1.00 15.31 H new ATOM 0 HB ILE A 3 16.697 -2.525 -2.138 1.00 40.53 H new ATOM 0 HG12 ILE A 3 19.452 -1.954 -1.056 1.00 21.03 H new ATOM 0 HG13 ILE A 3 18.678 -3.485 -0.698 1.00 21.03 H new ATOM 0 HG21 ILE A 3 17.927 -0.539 -2.924 1.00 4.13 H new ATOM 0 HG22 ILE A 3 16.481 -0.089 -1.990 1.00 4.13 H new ATOM 0 HG23 ILE A 3 18.092 0.020 -1.242 1.00 4.13 H new ATOM 0 HD11 ILE A 3 20.123 -3.672 -2.663 1.00 10.32 H new ATOM 0 HD12 ILE A 3 18.421 -3.936 -3.112 1.00 10.32 H new ATOM 0 HD13 ILE A 3 19.207 -2.381 -3.476 1.00 10.32 H new ATOM 49 N ASP A 4 17.513 -0.026 1.071 1.00 11.31 N ATOM 50 CA ASP A 4 18.349 0.735 1.993 1.00 55.11 C ATOM 51 C ASP A 4 17.966 2.212 1.980 1.00 64.00 C ATOM 52 O ASP A 4 17.464 2.724 0.979 1.00 0.32 O ATOM 53 CB ASP A 4 19.825 0.574 1.628 1.00 50.44 C ATOM 54 CG ASP A 4 20.680 0.204 2.823 1.00 3.55 C ATOM 55 OD1 ASP A 4 20.494 0.814 3.898 1.00 61.22 O ATOM 56 OD2 ASP A 4 21.535 -0.695 2.685 1.00 3.13 O ATOM 0 H ASP A 4 16.847 0.537 0.543 1.00 11.31 H new ATOM 0 HA ASP A 4 18.188 0.345 2.998 1.00 55.11 H new ATOM 0 HB2 ASP A 4 19.925 -0.195 0.862 1.00 50.44 H new ATOM 0 HB3 ASP A 4 20.193 1.505 1.196 1.00 50.44 H new ATOM 61 N ILE A 5 18.207 2.890 3.097 1.00 32.22 N ATOM 62 CA ILE A 5 17.888 4.307 3.214 1.00 53.22 C ATOM 63 C ILE A 5 18.823 5.002 4.198 1.00 50.14 C ATOM 64 O ILE A 5 19.361 4.374 5.110 1.00 13.24 O ATOM 65 CB ILE A 5 16.432 4.521 3.668 1.00 11.14 C ATOM 66 CG1 ILE A 5 16.123 3.653 4.890 1.00 61.54 C ATOM 67 CG2 ILE A 5 15.471 4.207 2.532 1.00 54.33 C ATOM 68 CD1 ILE A 5 15.107 4.267 5.827 1.00 62.02 C ATOM 0 H ILE A 5 18.622 2.481 3.934 1.00 32.22 H new ATOM 0 HA ILE A 5 18.019 4.742 2.223 1.00 53.22 H new ATOM 0 HB ILE A 5 16.304 5.567 3.947 1.00 11.14 H new ATOM 0 HG12 ILE A 5 15.755 2.684 4.553 1.00 61.54 H new ATOM 0 HG13 ILE A 5 17.047 3.470 5.439 1.00 61.54 H new ATOM 0 HG21 ILE A 5 14.446 4.363 2.869 1.00 54.33 H new ATOM 0 HG22 ILE A 5 15.679 4.864 1.687 1.00 54.33 H new ATOM 0 HG23 ILE A 5 15.598 3.169 2.225 1.00 54.33 H new ATOM 0 HD11 ILE A 5 14.938 3.597 6.670 1.00 62.02 H new ATOM 0 HD12 ILE A 5 15.481 5.223 6.193 1.00 62.02 H new ATOM 0 HD13 ILE A 5 14.169 4.424 5.294 1.00 62.02 H new ATOM 80 N THR A 6 19.012 6.304 4.007 1.00 42.20 N ATOM 81 CA THR A 6 19.882 7.086 4.877 1.00 34.43 C ATOM 82 C THR A 6 19.235 8.414 5.252 1.00 55.12 C ATOM 83 O THR A 6 18.095 8.689 4.875 1.00 44.44 O ATOM 84 CB THR A 6 21.243 7.360 4.211 1.00 1.53 C ATOM 85 OG1 THR A 6 21.438 6.468 3.109 1.00 62.22 O ATOM 86 CG2 THR A 6 22.378 7.195 5.211 1.00 53.40 C ATOM 0 H THR A 6 18.574 6.839 3.257 1.00 42.20 H new ATOM 0 HA THR A 6 20.040 6.495 5.779 1.00 34.43 H new ATOM 0 HB THR A 6 21.245 8.388 3.850 1.00 1.53 H new ATOM 0 HG1 THR A 6 22.305 6.650 2.690 1.00 62.22 H new ATOM 0 HG21 THR A 6 23.329 7.394 4.718 1.00 53.40 H new ATOM 0 HG22 THR A 6 22.243 7.897 6.034 1.00 53.40 H new ATOM 0 HG23 THR A 6 22.376 6.176 5.599 1.00 53.40 H new ATOM 94 N VAL A 7 19.968 9.236 5.996 1.00 63.33 N ATOM 95 CA VAL A 7 19.466 10.537 6.420 1.00 41.12 C ATOM 96 C VAL A 7 20.320 11.666 5.854 1.00 12.52 C ATOM 97 O VAL A 7 21.533 11.525 5.701 1.00 71.41 O ATOM 98 CB VAL A 7 19.433 10.653 7.955 1.00 22.24 C ATOM 99 CG1 VAL A 7 20.845 10.653 8.521 1.00 0.24 C ATOM 100 CG2 VAL A 7 18.680 11.905 8.379 1.00 72.32 C ATOM 0 H VAL A 7 20.912 9.023 6.318 1.00 63.33 H new ATOM 0 HA VAL A 7 18.450 10.625 6.035 1.00 41.12 H new ATOM 0 HB VAL A 7 18.906 9.787 8.356 1.00 22.24 H new ATOM 0 HG11 VAL A 7 20.802 10.736 9.607 1.00 0.24 H new ATOM 0 HG12 VAL A 7 21.347 9.725 8.247 1.00 0.24 H new ATOM 0 HG13 VAL A 7 21.400 11.499 8.115 1.00 0.24 H new ATOM 0 HG21 VAL A 7 18.667 11.971 9.467 1.00 72.32 H new ATOM 0 HG22 VAL A 7 19.176 12.784 7.968 1.00 72.32 H new ATOM 0 HG23 VAL A 7 17.657 11.858 8.006 1.00 72.32 H new ATOM 110 N SER A 8 19.678 12.789 5.546 1.00 72.22 N ATOM 111 CA SER A 8 20.378 13.943 4.994 1.00 74.23 C ATOM 112 C SER A 8 20.351 15.113 5.972 1.00 43.31 C ATOM 113 O SER A 8 21.281 15.918 6.019 1.00 25.45 O ATOM 114 CB SER A 8 19.747 14.360 3.664 1.00 14.30 C ATOM 115 OG SER A 8 19.647 13.258 2.779 1.00 55.43 O ATOM 0 H SER A 8 18.675 12.924 5.669 1.00 72.22 H new ATOM 0 HA SER A 8 21.416 13.660 4.822 1.00 74.23 H new ATOM 0 HB2 SER A 8 18.756 14.778 3.843 1.00 14.30 H new ATOM 0 HB3 SER A 8 20.346 15.146 3.204 1.00 14.30 H new ATOM 0 HG SER A 8 19.239 13.550 1.937 1.00 55.43 H new ATOM 121 N ALA A 9 19.278 15.201 6.751 1.00 41.22 N ATOM 122 CA ALA A 9 19.130 16.271 7.730 1.00 42.15 C ATOM 123 C ALA A 9 19.056 17.633 7.047 1.00 34.22 C ATOM 124 O ALA A 9 19.127 17.729 5.822 1.00 23.45 O ATOM 125 CB ALA A 9 20.281 16.239 8.724 1.00 1.42 C ATOM 0 H ALA A 9 18.498 14.544 6.723 1.00 41.22 H new ATOM 0 HA ALA A 9 18.195 16.112 8.268 1.00 42.15 H new ATOM 0 HB1 ALA A 9 20.158 17.043 9.449 1.00 1.42 H new ATOM 0 HB2 ALA A 9 20.287 15.280 9.243 1.00 1.42 H new ATOM 0 HB3 ALA A 9 21.224 16.370 8.193 1.00 1.42 H new ATOM 131 N ALA A 10 18.911 18.684 7.848 1.00 75.41 N ATOM 132 CA ALA A 10 18.828 20.040 7.321 1.00 75.02 C ATOM 133 C ALA A 10 17.726 20.155 6.273 1.00 14.30 C ATOM 134 O ALA A 10 17.977 20.547 5.133 1.00 74.23 O ATOM 135 CB ALA A 10 20.166 20.460 6.731 1.00 74.33 C ATOM 0 H ALA A 10 18.849 18.622 8.864 1.00 75.41 H new ATOM 0 HA ALA A 10 18.581 20.709 8.145 1.00 75.02 H new ATOM 0 HB1 ALA A 10 20.089 21.475 6.341 1.00 74.33 H new ATOM 0 HB2 ALA A 10 20.932 20.426 7.506 1.00 74.33 H new ATOM 0 HB3 ALA A 10 20.437 19.780 5.923 1.00 74.33 H new ATOM 141 N THR A 11 16.503 19.811 6.666 1.00 0.21 N ATOM 142 CA THR A 11 15.363 19.874 5.761 1.00 51.35 C ATOM 143 C THR A 11 14.283 20.806 6.300 1.00 63.33 C ATOM 144 O THR A 11 13.576 21.462 5.534 1.00 1.21 O ATOM 145 CB THR A 11 14.752 18.479 5.528 1.00 43.40 C ATOM 146 OG1 THR A 11 15.013 17.636 6.656 1.00 43.25 O ATOM 147 CG2 THR A 11 15.322 17.842 4.269 1.00 13.43 C ATOM 0 H THR A 11 16.277 19.486 7.606 1.00 0.21 H new ATOM 0 HA THR A 11 15.734 20.263 4.813 1.00 51.35 H new ATOM 0 HB THR A 11 13.675 18.594 5.402 1.00 43.40 H new ATOM 0 HG1 THR A 11 14.620 16.752 6.501 1.00 43.25 H new ATOM 0 HG21 THR A 11 14.876 16.858 4.125 1.00 13.43 H new ATOM 0 HG22 THR A 11 15.097 18.472 3.408 1.00 13.43 H new ATOM 0 HG23 THR A 11 16.402 17.739 4.370 1.00 13.43 H new ATOM 155 N LEU A 12 14.161 20.860 7.621 1.00 23.44 N ATOM 156 CA LEU A 12 13.167 21.712 8.264 1.00 43.41 C ATOM 157 C LEU A 12 13.785 23.039 8.694 1.00 14.14 C ATOM 158 O LEU A 12 14.920 23.082 9.169 1.00 53.24 O ATOM 159 CB LEU A 12 12.563 21.001 9.476 1.00 71.03 C ATOM 160 CG LEU A 12 13.472 19.999 10.188 1.00 71.31 C ATOM 161 CD1 LEU A 12 14.710 20.694 10.732 1.00 42.12 C ATOM 162 CD2 LEU A 12 12.717 19.296 11.307 1.00 4.33 C ATOM 0 H LEU A 12 14.738 20.324 8.269 1.00 23.44 H new ATOM 0 HA LEU A 12 12.377 21.917 7.541 1.00 43.41 H new ATOM 0 HB2 LEU A 12 12.253 21.756 10.198 1.00 71.03 H new ATOM 0 HB3 LEU A 12 11.662 20.479 9.154 1.00 71.03 H new ATOM 0 HG LEU A 12 13.791 19.249 9.465 1.00 71.31 H new ATOM 0 HD11 LEU A 12 15.345 19.965 11.235 1.00 42.12 H new ATOM 0 HD12 LEU A 12 15.262 21.150 9.910 1.00 42.12 H new ATOM 0 HD13 LEU A 12 14.412 21.466 11.441 1.00 42.12 H new ATOM 0 HD21 LEU A 12 13.379 18.586 11.803 1.00 4.33 H new ATOM 0 HD22 LEU A 12 12.368 20.033 12.030 1.00 4.33 H new ATOM 0 HD23 LEU A 12 11.862 18.764 10.891 1.00 4.33 H new ATOM 174 N SER A 13 13.028 24.120 8.528 1.00 65.52 N ATOM 175 CA SER A 13 13.502 25.448 8.898 1.00 52.33 C ATOM 176 C SER A 13 12.721 25.990 10.091 1.00 1.32 C ATOM 177 O SER A 13 13.302 26.521 11.038 1.00 21.50 O ATOM 178 CB SER A 13 13.374 26.407 7.712 1.00 34.22 C ATOM 179 OG SER A 13 12.982 27.699 8.141 1.00 2.35 O ATOM 0 H SER A 13 12.085 24.101 8.140 1.00 65.52 H new ATOM 0 HA SER A 13 14.552 25.367 9.179 1.00 52.33 H new ATOM 0 HB2 SER A 13 14.327 26.469 7.186 1.00 34.22 H new ATOM 0 HB3 SER A 13 12.643 26.018 7.003 1.00 34.22 H new ATOM 0 HG SER A 13 12.079 27.658 8.520 1.00 2.35 H new ATOM 185 N SER A 14 11.400 25.853 10.038 1.00 61.11 N ATOM 186 CA SER A 14 10.538 26.332 11.112 1.00 72.30 C ATOM 187 C SER A 14 9.388 25.360 11.359 1.00 13.24 C ATOM 188 O SER A 14 8.942 24.664 10.447 1.00 63.41 O ATOM 189 CB SER A 14 9.986 27.717 10.772 1.00 53.40 C ATOM 190 OG SER A 14 10.662 28.277 9.659 1.00 33.23 O ATOM 0 H SER A 14 10.903 25.414 9.263 1.00 61.11 H new ATOM 0 HA SER A 14 11.135 26.400 12.021 1.00 72.30 H new ATOM 0 HB2 SER A 14 8.920 27.644 10.555 1.00 53.40 H new ATOM 0 HB3 SER A 14 10.091 28.375 11.634 1.00 53.40 H new ATOM 0 HG SER A 14 10.289 29.162 9.461 1.00 33.23 H new ATOM 196 N ILE A 15 8.912 25.320 12.599 1.00 22.24 N ATOM 197 CA ILE A 15 7.814 24.435 12.967 1.00 12.13 C ATOM 198 C ILE A 15 6.721 25.195 13.712 1.00 43.44 C ATOM 199 O ILE A 15 6.994 26.176 14.403 1.00 4.42 O ATOM 200 CB ILE A 15 8.301 23.268 13.846 1.00 21.10 C ATOM 201 CG1 ILE A 15 9.598 22.684 13.283 1.00 62.23 C ATOM 202 CG2 ILE A 15 7.228 22.194 13.942 1.00 20.35 C ATOM 203 CD1 ILE A 15 9.471 22.191 11.858 1.00 14.42 C ATOM 0 H ILE A 15 9.270 25.890 13.366 1.00 22.24 H new ATOM 0 HA ILE A 15 7.407 24.035 12.038 1.00 12.13 H new ATOM 0 HB ILE A 15 8.500 23.646 14.849 1.00 21.10 H new ATOM 0 HG12 ILE A 15 10.378 23.444 13.328 1.00 62.23 H new ATOM 0 HG13 ILE A 15 9.920 21.858 13.917 1.00 62.23 H new ATOM 0 HG21 ILE A 15 7.587 21.376 14.566 1.00 20.35 H new ATOM 0 HG22 ILE A 15 6.326 22.619 14.383 1.00 20.35 H new ATOM 0 HG23 ILE A 15 7.001 21.817 12.945 1.00 20.35 H new ATOM 0 HD11 ILE A 15 10.428 21.791 11.525 1.00 14.42 H new ATOM 0 HD12 ILE A 15 8.714 21.408 11.810 1.00 14.42 H new ATOM 0 HD13 ILE A 15 9.179 23.018 11.211 1.00 14.42 H new ATOM 215 N SER A 16 5.483 24.735 13.566 1.00 21.41 N ATOM 216 CA SER A 16 4.348 25.372 14.223 1.00 1.21 C ATOM 217 C SER A 16 3.601 24.376 15.105 1.00 53.15 C ATOM 218 O SER A 16 3.220 23.296 14.653 1.00 34.43 O ATOM 219 CB SER A 16 3.396 25.964 13.182 1.00 32.02 C ATOM 220 OG SER A 16 3.426 27.380 13.210 1.00 2.41 O ATOM 0 H SER A 16 5.240 23.923 12.998 1.00 21.41 H new ATOM 0 HA SER A 16 4.729 26.175 14.855 1.00 1.21 H new ATOM 0 HB2 SER A 16 3.673 25.611 12.189 1.00 32.02 H new ATOM 0 HB3 SER A 16 2.381 25.615 13.373 1.00 32.02 H new ATOM 0 HG SER A 16 2.810 27.734 12.534 1.00 2.41 H new ATOM 226 N ILE A 17 3.395 24.748 16.363 1.00 23.15 N ATOM 227 CA ILE A 17 2.693 23.888 17.308 1.00 10.54 C ATOM 228 C ILE A 17 1.433 24.566 17.836 1.00 0.13 C ATOM 229 O ILE A 17 1.415 25.776 18.064 1.00 63.30 O ATOM 230 CB ILE A 17 3.593 23.506 18.498 1.00 63.21 C ATOM 231 CG1 ILE A 17 4.986 23.107 18.004 1.00 14.03 C ATOM 232 CG2 ILE A 17 2.964 22.374 19.296 1.00 71.32 C ATOM 233 CD1 ILE A 17 4.981 21.900 17.093 1.00 53.05 C ATOM 0 H ILE A 17 3.704 25.639 16.752 1.00 23.15 H new ATOM 0 HA ILE A 17 2.417 22.983 16.766 1.00 10.54 H new ATOM 0 HB ILE A 17 3.694 24.373 19.152 1.00 63.21 H new ATOM 0 HG12 ILE A 17 5.430 23.950 17.474 1.00 14.03 H new ATOM 0 HG13 ILE A 17 5.622 22.900 18.864 1.00 14.03 H new ATOM 0 HG21 ILE A 17 3.612 22.115 20.134 1.00 71.32 H new ATOM 0 HG22 ILE A 17 1.992 22.691 19.674 1.00 71.32 H new ATOM 0 HG23 ILE A 17 2.837 21.503 18.653 1.00 71.32 H new ATOM 0 HD11 ILE A 17 6.001 21.675 16.782 1.00 53.05 H new ATOM 0 HD12 ILE A 17 4.567 21.044 17.626 1.00 53.05 H new ATOM 0 HD13 ILE A 17 4.372 22.110 16.214 1.00 53.05 H new ATOM 245 N SER A 18 0.381 23.778 18.030 1.00 33.44 N ATOM 246 CA SER A 18 -0.885 24.301 18.530 1.00 11.41 C ATOM 247 C SER A 18 -1.315 23.567 19.797 1.00 42.24 C ATOM 248 O SER A 18 -2.304 22.834 19.815 1.00 42.23 O ATOM 249 CB SER A 18 -1.971 24.175 17.460 1.00 15.13 C ATOM 250 OG SER A 18 -1.453 24.456 16.172 1.00 72.44 O ATOM 0 H SER A 18 0.380 22.774 17.848 1.00 33.44 H new ATOM 0 HA SER A 18 -0.744 25.354 18.772 1.00 11.41 H new ATOM 0 HB2 SER A 18 -2.387 23.168 17.476 1.00 15.13 H new ATOM 0 HB3 SER A 18 -2.788 24.861 17.684 1.00 15.13 H new ATOM 0 HG SER A 18 -2.166 24.367 15.506 1.00 72.44 H new ATOM 256 N PRO A 19 -0.554 23.768 20.883 1.00 62.22 N ATOM 257 CA PRO A 19 -0.835 23.135 22.175 1.00 74.34 C ATOM 258 C PRO A 19 -2.093 23.693 22.832 1.00 41.21 C ATOM 259 O PRO A 19 -2.604 24.738 22.428 1.00 43.21 O ATOM 260 CB PRO A 19 0.401 23.472 23.012 1.00 53.20 C ATOM 261 CG PRO A 19 0.941 24.720 22.404 1.00 51.30 C ATOM 262 CD PRO A 19 0.640 24.629 20.934 1.00 71.44 C ATOM 0 HA PRO A 19 -1.018 22.065 22.074 1.00 74.34 H new ATOM 0 HB2 PRO A 19 0.141 23.623 24.060 1.00 53.20 H new ATOM 0 HB3 PRO A 19 1.134 22.666 22.978 1.00 53.20 H new ATOM 0 HG2 PRO A 19 0.475 25.602 22.844 1.00 51.30 H new ATOM 0 HG3 PRO A 19 2.014 24.806 22.578 1.00 51.30 H new ATOM 0 HD2 PRO A 19 0.446 25.611 20.502 1.00 71.44 H new ATOM 0 HD3 PRO A 19 1.472 24.195 20.379 1.00 71.44 H new ATOM 270 N ILE A 20 -2.586 22.991 23.846 1.00 33.03 N ATOM 271 CA ILE A 20 -3.783 23.418 24.560 1.00 52.40 C ATOM 272 C ILE A 20 -3.609 23.265 26.067 1.00 21.31 C ATOM 273 O ILE A 20 -3.131 22.237 26.545 1.00 35.41 O ATOM 274 CB ILE A 20 -5.021 22.618 24.113 1.00 1.24 C ATOM 275 CG1 ILE A 20 -5.141 22.631 22.588 1.00 3.21 C ATOM 276 CG2 ILE A 20 -6.279 23.187 24.754 1.00 65.43 C ATOM 277 CD1 ILE A 20 -6.326 21.849 22.068 1.00 31.53 C ATOM 0 H ILE A 20 -2.175 22.124 24.192 1.00 33.03 H new ATOM 0 HA ILE A 20 -3.935 24.470 24.320 1.00 52.40 H new ATOM 0 HB ILE A 20 -4.905 21.585 24.440 1.00 1.24 H new ATOM 0 HG12 ILE A 20 -5.219 23.663 22.247 1.00 3.21 H new ATOM 0 HG13 ILE A 20 -4.228 22.221 22.156 1.00 3.21 H new ATOM 0 HG21 ILE A 20 -7.145 22.611 24.429 1.00 65.43 H new ATOM 0 HG22 ILE A 20 -6.192 23.130 25.839 1.00 65.43 H new ATOM 0 HG23 ILE A 20 -6.401 24.228 24.454 1.00 65.43 H new ATOM 0 HD11 ILE A 20 -6.348 21.902 20.980 1.00 31.53 H new ATOM 0 HD12 ILE A 20 -6.240 20.808 22.379 1.00 31.53 H new ATOM 0 HD13 ILE A 20 -7.246 22.272 22.470 1.00 31.53 H new ATOM 289 N ASN A 21 -4.001 24.294 26.811 1.00 52.03 N ATOM 290 CA ASN A 21 -3.890 24.273 28.265 1.00 44.13 C ATOM 291 C ASN A 21 -5.261 24.106 28.913 1.00 5.11 C ATOM 292 O ASN A 21 -5.963 25.085 29.168 1.00 20.02 O ATOM 293 CB ASN A 21 -3.230 25.560 28.765 1.00 63.41 C ATOM 294 CG ASN A 21 -2.212 26.107 27.783 1.00 54.34 C ATOM 295 OD1 ASN A 21 -2.231 27.292 27.449 1.00 42.21 O ATOM 296 ND2 ASN A 21 -1.318 25.244 27.314 1.00 13.43 N ATOM 0 H ASN A 21 -4.398 25.153 26.431 1.00 52.03 H new ATOM 0 HA ASN A 21 -3.270 23.422 28.545 1.00 44.13 H new ATOM 0 HB2 ASN A 21 -3.998 26.312 28.945 1.00 63.41 H new ATOM 0 HB3 ASN A 21 -2.742 25.367 29.720 1.00 63.41 H new ATOM 0 HD21 ASN A 21 -0.609 25.554 26.649 1.00 13.43 H new ATOM 0 HD22 ASN A 21 -1.340 24.271 27.619 1.00 13.43 H new ATOM 303 N THR A 22 -5.636 22.859 29.178 1.00 22.44 N ATOM 304 CA THR A 22 -6.922 22.562 29.796 1.00 10.44 C ATOM 305 C THR A 22 -6.761 21.600 30.967 1.00 23.14 C ATOM 306 O THR A 22 -5.763 20.887 31.064 1.00 4.32 O ATOM 307 CB THR A 22 -7.907 21.955 28.780 1.00 53.53 C ATOM 308 OG1 THR A 22 -7.574 22.389 27.456 1.00 31.51 O ATOM 309 CG2 THR A 22 -9.338 22.358 29.106 1.00 44.24 C ATOM 0 H THR A 22 -5.067 22.038 28.974 1.00 22.44 H new ATOM 0 HA THR A 22 -7.323 23.508 30.159 1.00 10.44 H new ATOM 0 HB THR A 22 -7.830 20.869 28.837 1.00 53.53 H new ATOM 0 HG1 THR A 22 -8.332 22.876 27.071 1.00 31.51 H new ATOM 0 HG21 THR A 22 -10.016 21.917 28.375 1.00 44.24 H new ATOM 0 HG22 THR A 22 -9.598 22.002 30.103 1.00 44.24 H new ATOM 0 HG23 THR A 22 -9.426 23.444 29.074 1.00 44.24 H new ATOM 317 N ASN A 23 -7.750 21.584 31.855 1.00 40.01 N ATOM 318 CA ASN A 23 -7.717 20.708 33.020 1.00 32.13 C ATOM 319 C ASN A 23 -8.760 19.601 32.898 1.00 13.25 C ATOM 320 O ASN A 23 -9.909 19.855 32.535 1.00 71.34 O ATOM 321 CB ASN A 23 -7.960 21.514 34.298 1.00 41.43 C ATOM 322 CG ASN A 23 -7.339 22.896 34.236 1.00 45.44 C ATOM 323 OD1 ASN A 23 -7.970 23.890 34.597 1.00 62.22 O ATOM 324 ND2 ASN A 23 -6.095 22.966 33.776 1.00 63.45 N ATOM 0 H ASN A 23 -8.584 22.168 31.790 1.00 40.01 H new ATOM 0 HA ASN A 23 -6.730 20.249 33.070 1.00 32.13 H new ATOM 0 HB2 ASN A 23 -9.033 21.608 34.467 1.00 41.43 H new ATOM 0 HB3 ASN A 23 -7.549 20.972 35.150 1.00 41.43 H new ATOM 0 HD21 ASN A 23 -5.625 23.869 33.711 1.00 63.45 H new ATOM 0 HD22 ASN A 23 -5.609 22.117 33.488 1.00 63.45 H new ATOM 331 N ILE A 24 -8.352 18.375 33.206 1.00 72.33 N ATOM 332 CA ILE A 24 -9.252 17.230 33.132 1.00 3.03 C ATOM 333 C ILE A 24 -8.957 16.227 34.243 1.00 41.14 C ATOM 334 O ILE A 24 -7.842 16.168 34.759 1.00 61.51 O ATOM 335 CB ILE A 24 -9.146 16.518 31.771 1.00 32.50 C ATOM 336 CG1 ILE A 24 -9.189 17.538 30.632 1.00 43.21 C ATOM 337 CG2 ILE A 24 -10.266 15.499 31.618 1.00 24.54 C ATOM 338 CD1 ILE A 24 -8.964 16.929 29.266 1.00 60.12 C ATOM 0 H ILE A 24 -7.405 18.149 33.509 1.00 72.33 H new ATOM 0 HA ILE A 24 -10.264 17.615 33.253 1.00 3.03 H new ATOM 0 HB ILE A 24 -8.193 15.992 31.727 1.00 32.50 H new ATOM 0 HG12 ILE A 24 -10.156 18.041 30.642 1.00 43.21 H new ATOM 0 HG13 ILE A 24 -8.431 18.301 30.810 1.00 43.21 H new ATOM 0 HG21 ILE A 24 -10.178 15.004 30.651 1.00 24.54 H new ATOM 0 HG22 ILE A 24 -10.194 14.757 32.413 1.00 24.54 H new ATOM 0 HG23 ILE A 24 -11.229 16.005 31.680 1.00 24.54 H new ATOM 0 HD11 ILE A 24 -9.008 17.711 28.507 1.00 60.12 H new ATOM 0 HD12 ILE A 24 -7.985 16.451 29.238 1.00 60.12 H new ATOM 0 HD13 ILE A 24 -9.737 16.186 29.067 1.00 60.12 H new ATOM 350 N ASN A 25 -9.965 15.439 34.604 1.00 44.24 N ATOM 351 CA ASN A 25 -9.813 14.437 35.652 1.00 32.12 C ATOM 352 C ASN A 25 -10.175 13.048 35.134 1.00 45.34 C ATOM 353 O ASN A 25 -11.117 12.889 34.357 1.00 64.34 O ATOM 354 CB ASN A 25 -10.692 14.789 36.854 1.00 10.31 C ATOM 355 CG ASN A 25 -10.528 13.808 37.998 1.00 25.42 C ATOM 356 OD1 ASN A 25 -11.509 13.353 38.586 1.00 23.43 O ATOM 357 ND2 ASN A 25 -9.282 13.477 38.319 1.00 32.32 N ATOM 0 H ASN A 25 -10.895 15.475 34.186 1.00 44.24 H new ATOM 0 HA ASN A 25 -8.768 14.429 35.963 1.00 32.12 H new ATOM 0 HB2 ASN A 25 -10.443 15.792 37.201 1.00 10.31 H new ATOM 0 HB3 ASN A 25 -11.737 14.809 36.543 1.00 10.31 H new ATOM 0 HD21 ASN A 25 -9.109 12.821 39.080 1.00 32.32 H new ATOM 0 HD22 ASN A 25 -8.499 13.879 37.804 1.00 32.32 H new ATOM 364 N THR A 26 -9.419 12.045 35.569 1.00 32.32 N ATOM 365 CA THR A 26 -9.659 10.670 35.149 1.00 24.24 C ATOM 366 C THR A 26 -9.219 10.451 33.706 1.00 11.22 C ATOM 367 O THR A 26 -8.245 9.745 33.442 1.00 35.34 O ATOM 368 CB THR A 26 -11.146 10.292 35.284 1.00 42.20 C ATOM 369 OG1 THR A 26 -11.696 10.881 36.468 1.00 43.54 O ATOM 370 CG2 THR A 26 -11.318 8.782 35.336 1.00 30.34 C ATOM 0 H THR A 26 -8.635 12.159 36.212 1.00 32.32 H new ATOM 0 HA THR A 26 -9.069 10.032 35.807 1.00 24.24 H new ATOM 0 HB THR A 26 -11.675 10.672 34.410 1.00 42.20 H new ATOM 0 HG1 THR A 26 -12.642 10.637 36.545 1.00 43.54 H new ATOM 0 HG21 THR A 26 -12.376 8.539 35.431 1.00 30.34 H new ATOM 0 HG22 THR A 26 -10.925 8.339 34.421 1.00 30.34 H new ATOM 0 HG23 THR A 26 -10.776 8.383 36.193 1.00 30.34 H new ATOM 378 N THR A 27 -9.942 11.062 32.773 1.00 54.40 N ATOM 379 CA THR A 27 -9.627 10.934 31.356 1.00 53.11 C ATOM 380 C THR A 27 -9.191 12.270 30.766 1.00 1.55 C ATOM 381 O THR A 27 -9.998 12.998 30.188 1.00 43.32 O ATOM 382 CB THR A 27 -10.833 10.403 30.558 1.00 12.30 C ATOM 383 OG1 THR A 27 -11.975 11.238 30.782 1.00 2.13 O ATOM 384 CG2 THR A 27 -11.159 8.972 30.958 1.00 41.13 C ATOM 0 H THR A 27 -10.750 11.651 32.974 1.00 54.40 H new ATOM 0 HA THR A 27 -8.806 10.221 31.279 1.00 53.11 H new ATOM 0 HB THR A 27 -10.575 10.418 29.499 1.00 12.30 H new ATOM 0 HG1 THR A 27 -11.705 12.179 30.741 1.00 2.13 H new ATOM 0 HG21 THR A 27 -12.014 8.619 30.381 1.00 41.13 H new ATOM 0 HG22 THR A 27 -10.298 8.334 30.759 1.00 41.13 H new ATOM 0 HG23 THR A 27 -11.399 8.937 32.021 1.00 41.13 H new ATOM 392 N VAL A 28 -7.909 12.588 30.916 1.00 22.25 N ATOM 393 CA VAL A 28 -7.365 13.837 30.397 1.00 24.30 C ATOM 394 C VAL A 28 -6.836 13.658 28.978 1.00 30.13 C ATOM 395 O VAL A 28 -5.651 13.392 28.775 1.00 35.11 O ATOM 396 CB VAL A 28 -6.230 14.370 31.292 1.00 13.03 C ATOM 397 CG1 VAL A 28 -5.206 13.279 31.563 1.00 23.11 C ATOM 398 CG2 VAL A 28 -5.573 15.583 30.652 1.00 3.33 C ATOM 0 H VAL A 28 -7.228 11.997 31.393 1.00 22.25 H new ATOM 0 HA VAL A 28 -8.182 14.559 30.390 1.00 24.30 H new ATOM 0 HB VAL A 28 -6.657 14.678 32.246 1.00 13.03 H new ATOM 0 HG11 VAL A 28 -4.412 13.674 32.197 1.00 23.11 H new ATOM 0 HG12 VAL A 28 -5.690 12.443 32.067 1.00 23.11 H new ATOM 0 HG13 VAL A 28 -4.781 12.937 30.620 1.00 23.11 H new ATOM 0 HG21 VAL A 28 -4.774 15.947 31.297 1.00 3.33 H new ATOM 0 HG22 VAL A 28 -5.159 15.304 29.683 1.00 3.33 H new ATOM 0 HG23 VAL A 28 -6.315 16.369 30.516 1.00 3.33 H new ATOM 408 N SER A 29 -7.723 13.806 27.999 1.00 3.32 N ATOM 409 CA SER A 29 -7.346 13.658 26.598 1.00 34.02 C ATOM 410 C SER A 29 -7.392 15.002 25.878 1.00 3.33 C ATOM 411 O SER A 29 -8.448 15.625 25.767 1.00 43.43 O ATOM 412 CB SER A 29 -8.275 12.662 25.901 1.00 35.04 C ATOM 413 OG SER A 29 -9.605 13.151 25.855 1.00 43.12 O ATOM 0 H SER A 29 -8.707 14.028 28.150 1.00 3.32 H new ATOM 0 HA SER A 29 -6.324 13.280 26.560 1.00 34.02 H new ATOM 0 HB2 SER A 29 -7.918 12.474 24.888 1.00 35.04 H new ATOM 0 HB3 SER A 29 -8.253 11.709 26.429 1.00 35.04 H new ATOM 0 HG SER A 29 -9.592 14.127 25.765 1.00 43.12 H new ATOM 419 N LYS A 30 -6.237 15.444 25.391 1.00 53.31 N ATOM 420 CA LYS A 30 -6.142 16.714 24.680 1.00 33.11 C ATOM 421 C LYS A 30 -5.602 16.508 23.269 1.00 42.03 C ATOM 422 O LYS A 30 -4.655 15.749 23.062 1.00 13.11 O ATOM 423 CB LYS A 30 -5.241 17.685 25.446 1.00 20.33 C ATOM 424 CG LYS A 30 -5.790 18.079 26.807 1.00 44.45 C ATOM 425 CD LYS A 30 -7.187 18.666 26.695 1.00 2.33 C ATOM 426 CE LYS A 30 -7.208 19.887 25.788 1.00 1.25 C ATOM 427 NZ LYS A 30 -8.573 20.473 25.679 1.00 64.14 N ATOM 0 H LYS A 30 -5.354 14.941 25.476 1.00 53.31 H new ATOM 0 HA LYS A 30 -7.144 17.138 24.608 1.00 33.11 H new ATOM 0 HB2 LYS A 30 -4.259 17.230 25.577 1.00 20.33 H new ATOM 0 HB3 LYS A 30 -5.098 18.584 24.847 1.00 20.33 H new ATOM 0 HG2 LYS A 30 -5.812 17.205 27.458 1.00 44.45 H new ATOM 0 HG3 LYS A 30 -5.125 18.806 27.272 1.00 44.45 H new ATOM 0 HD2 LYS A 30 -7.870 17.911 26.306 1.00 2.33 H new ATOM 0 HD3 LYS A 30 -7.547 18.941 27.686 1.00 2.33 H new ATOM 0 HE2 LYS A 30 -6.520 20.639 26.175 1.00 1.25 H new ATOM 0 HE3 LYS A 30 -6.852 19.609 24.796 1.00 1.25 H new ATOM 0 HZ1 LYS A 30 -8.727 20.816 24.709 1.00 64.14 H new ATOM 0 HZ2 LYS A 30 -9.282 19.746 25.906 1.00 64.14 H new ATOM 0 HZ3 LYS A 30 -8.665 21.266 26.346 1.00 64.14 H new ATOM 441 N GLN A 31 -6.208 17.190 22.302 1.00 34.33 N ATOM 442 CA GLN A 31 -5.786 17.081 20.911 1.00 53.21 C ATOM 443 C GLN A 31 -4.980 18.305 20.490 1.00 41.24 C ATOM 444 O GLN A 31 -5.498 19.422 20.457 1.00 70.42 O ATOM 445 CB GLN A 31 -7.003 16.918 19.998 1.00 1.30 C ATOM 446 CG GLN A 31 -6.847 15.811 18.968 1.00 42.41 C ATOM 447 CD GLN A 31 -5.832 16.152 17.894 1.00 13.22 C ATOM 448 OE1 GLN A 31 -6.194 16.491 16.767 1.00 13.11 O ATOM 449 NE2 GLN A 31 -4.553 16.064 18.239 1.00 40.22 N ATOM 0 H GLN A 31 -6.992 17.823 22.457 1.00 34.33 H new ATOM 0 HA GLN A 31 -5.151 16.200 20.818 1.00 53.21 H new ATOM 0 HB2 GLN A 31 -7.881 16.712 20.610 1.00 1.30 H new ATOM 0 HB3 GLN A 31 -7.188 17.860 19.482 1.00 1.30 H new ATOM 0 HG2 GLN A 31 -6.544 14.892 19.470 1.00 42.41 H new ATOM 0 HG3 GLN A 31 -7.812 15.615 18.501 1.00 42.41 H new ATOM 0 HE21 GLN A 31 -4.298 15.779 19.185 1.00 40.22 H new ATOM 0 HE22 GLN A 31 -3.825 16.282 17.558 1.00 40.22 H new ATOM 458 N PHE A 32 -3.709 18.088 20.168 1.00 2.22 N ATOM 459 CA PHE A 32 -2.830 19.174 19.750 1.00 1.21 C ATOM 460 C PHE A 32 -2.616 19.150 18.239 1.00 30.24 C ATOM 461 O PHE A 32 -3.231 18.357 17.527 1.00 74.43 O ATOM 462 CB PHE A 32 -1.483 19.074 20.469 1.00 61.01 C ATOM 463 CG PHE A 32 -1.606 18.983 21.963 1.00 12.21 C ATOM 464 CD1 PHE A 32 -2.536 19.754 22.643 1.00 62.32 C ATOM 465 CD2 PHE A 32 -0.793 18.127 22.688 1.00 41.11 C ATOM 466 CE1 PHE A 32 -2.651 19.673 24.018 1.00 64.43 C ATOM 467 CE2 PHE A 32 -0.903 18.041 24.063 1.00 54.40 C ATOM 468 CZ PHE A 32 -1.834 18.814 24.729 1.00 53.54 C ATOM 0 H PHE A 32 -3.265 17.170 20.189 1.00 2.22 H new ATOM 0 HA PHE A 32 -3.307 20.117 20.017 1.00 1.21 H new ATOM 0 HB2 PHE A 32 -0.949 18.197 20.102 1.00 61.01 H new ATOM 0 HB3 PHE A 32 -0.879 19.945 20.215 1.00 61.01 H new ATOM 0 HD1 PHE A 32 -3.178 20.426 22.092 1.00 62.32 H new ATOM 0 HD2 PHE A 32 -0.064 17.519 22.172 1.00 41.11 H new ATOM 0 HE1 PHE A 32 -3.378 20.280 24.536 1.00 64.43 H new ATOM 0 HE2 PHE A 32 -0.262 17.370 24.616 1.00 54.40 H new ATOM 0 HZ PHE A 32 -1.923 18.747 25.803 1.00 53.54 H new ATOM 478 N PHE A 33 -1.740 20.025 17.758 1.00 64.02 N ATOM 479 CA PHE A 33 -1.445 20.106 16.332 1.00 63.10 C ATOM 480 C PHE A 33 0.047 20.325 16.097 1.00 70.44 C ATOM 481 O PHE A 33 0.699 21.068 16.829 1.00 23.21 O ATOM 482 CB PHE A 33 -2.246 21.239 15.687 1.00 2.15 C ATOM 483 CG PHE A 33 -2.931 20.839 14.412 1.00 22.21 C ATOM 484 CD1 PHE A 33 -2.193 20.433 13.312 1.00 71.41 C ATOM 485 CD2 PHE A 33 -4.313 20.869 14.313 1.00 4.54 C ATOM 486 CE1 PHE A 33 -2.820 20.063 12.137 1.00 54.31 C ATOM 487 CE2 PHE A 33 -4.945 20.501 13.141 1.00 33.12 C ATOM 488 CZ PHE A 33 -4.198 20.099 12.051 1.00 33.53 C ATOM 0 H PHE A 33 -1.222 20.688 18.334 1.00 64.02 H new ATOM 0 HA PHE A 33 -1.733 19.160 15.873 1.00 63.10 H new ATOM 0 HB2 PHE A 33 -2.994 21.594 16.396 1.00 2.15 H new ATOM 0 HB3 PHE A 33 -1.578 22.076 15.484 1.00 2.15 H new ATOM 0 HD1 PHE A 33 -1.115 20.405 13.373 1.00 71.41 H new ATOM 0 HD2 PHE A 33 -4.902 21.184 15.162 1.00 4.54 H new ATOM 0 HE1 PHE A 33 -2.233 19.746 11.287 1.00 54.31 H new ATOM 0 HE2 PHE A 33 -6.023 20.528 13.077 1.00 33.12 H new ATOM 0 HZ PHE A 33 -4.690 19.813 11.133 1.00 33.53 H new ATOM 498 N ALA A 34 0.580 19.671 15.070 1.00 71.14 N ATOM 499 CA ALA A 34 1.993 19.794 14.736 1.00 5.40 C ATOM 500 C ALA A 34 2.197 19.867 13.227 1.00 40.54 C ATOM 501 O ALA A 34 1.849 18.939 12.497 1.00 22.43 O ATOM 502 CB ALA A 34 2.777 18.629 15.320 1.00 23.44 C ATOM 0 H ALA A 34 0.054 19.050 14.455 1.00 71.14 H new ATOM 0 HA ALA A 34 2.363 20.722 15.172 1.00 5.40 H new ATOM 0 HB1 ALA A 34 3.831 18.734 15.062 1.00 23.44 H new ATOM 0 HB2 ALA A 34 2.667 18.624 16.404 1.00 23.44 H new ATOM 0 HB3 ALA A 34 2.396 17.693 14.912 1.00 23.44 H new ATOM 508 N VAL A 35 2.762 20.978 12.763 1.00 21.13 N ATOM 509 CA VAL A 35 3.012 21.172 11.340 1.00 3.01 C ATOM 510 C VAL A 35 4.461 21.575 11.087 1.00 74.13 C ATOM 511 O VAL A 35 5.035 22.368 11.831 1.00 12.15 O ATOM 512 CB VAL A 35 2.081 22.246 10.748 1.00 50.41 C ATOM 513 CG1 VAL A 35 0.660 21.716 10.632 1.00 50.31 C ATOM 514 CG2 VAL A 35 2.120 23.510 11.594 1.00 20.11 C ATOM 0 H VAL A 35 3.055 21.757 13.353 1.00 21.13 H new ATOM 0 HA VAL A 35 2.812 20.219 10.850 1.00 3.01 H new ATOM 0 HB VAL A 35 2.433 22.495 9.747 1.00 50.41 H new ATOM 0 HG11 VAL A 35 0.017 22.489 10.212 1.00 50.31 H new ATOM 0 HG12 VAL A 35 0.650 20.842 9.981 1.00 50.31 H new ATOM 0 HG13 VAL A 35 0.294 21.437 11.620 1.00 50.31 H new ATOM 0 HG21 VAL A 35 1.456 24.258 11.161 1.00 20.11 H new ATOM 0 HG22 VAL A 35 1.794 23.279 12.608 1.00 20.11 H new ATOM 0 HG23 VAL A 35 3.138 23.899 11.620 1.00 20.11 H new ATOM 524 N GLY A 36 5.047 21.023 10.029 1.00 74.54 N ATOM 525 CA GLY A 36 6.424 21.337 9.695 1.00 75.42 C ATOM 526 C GLY A 36 6.562 21.937 8.310 1.00 70.11 C ATOM 527 O GLY A 36 6.001 21.422 7.342 1.00 63.40 O ATOM 0 H GLY A 36 4.593 20.364 9.397 1.00 74.54 H new ATOM 0 HA2 GLY A 36 6.823 22.035 10.431 1.00 75.42 H new ATOM 0 HA3 GLY A 36 7.025 20.430 9.756 1.00 75.42 H new ATOM 531 N THR A 37 7.310 23.032 8.213 1.00 60.30 N ATOM 532 CA THR A 37 7.518 23.705 6.937 1.00 22.32 C ATOM 533 C THR A 37 8.975 23.611 6.497 1.00 12.45 C ATOM 534 O THR A 37 9.871 24.119 7.172 1.00 13.50 O ATOM 535 CB THR A 37 7.110 25.188 7.012 1.00 43.35 C ATOM 536 OG1 THR A 37 6.038 25.355 7.946 1.00 4.42 O ATOM 537 CG2 THR A 37 6.683 25.701 5.645 1.00 55.03 C ATOM 0 H THR A 37 7.782 23.471 9.003 1.00 60.30 H new ATOM 0 HA THR A 37 6.888 23.199 6.206 1.00 22.32 H new ATOM 0 HB THR A 37 7.974 25.763 7.345 1.00 43.35 H new ATOM 0 HG1 THR A 37 5.786 26.301 7.989 1.00 4.42 H new ATOM 0 HG21 THR A 37 6.399 26.751 5.723 1.00 55.03 H new ATOM 0 HG22 THR A 37 7.511 25.600 4.943 1.00 55.03 H new ATOM 0 HG23 THR A 37 5.832 25.121 5.288 1.00 55.03 H new ATOM 545 N TYR A 38 9.205 22.960 5.363 1.00 54.01 N ATOM 546 CA TYR A 38 10.554 22.799 4.834 1.00 72.21 C ATOM 547 C TYR A 38 11.046 24.093 4.193 1.00 73.24 C ATOM 548 O TYR A 38 10.302 24.767 3.480 1.00 4.41 O ATOM 549 CB TYR A 38 10.590 21.663 3.810 1.00 4.01 C ATOM 550 CG TYR A 38 10.216 20.316 4.386 1.00 2.13 C ATOM 551 CD1 TYR A 38 8.888 19.989 4.632 1.00 24.42 C ATOM 552 CD2 TYR A 38 11.190 19.372 4.686 1.00 60.53 C ATOM 553 CE1 TYR A 38 8.542 18.759 5.159 1.00 13.51 C ATOM 554 CE2 TYR A 38 10.852 18.140 5.211 1.00 25.54 C ATOM 555 CZ TYR A 38 9.527 17.838 5.447 1.00 41.34 C ATOM 556 OH TYR A 38 9.187 16.613 5.972 1.00 71.44 O ATOM 0 H TYR A 38 8.475 22.535 4.792 1.00 54.01 H new ATOM 0 HA TYR A 38 11.216 22.552 5.664 1.00 72.21 H new ATOM 0 HB2 TYR A 38 9.910 21.901 2.992 1.00 4.01 H new ATOM 0 HB3 TYR A 38 11.591 21.601 3.384 1.00 4.01 H new ATOM 0 HD1 TYR A 38 8.114 20.708 4.408 1.00 24.42 H new ATOM 0 HD2 TYR A 38 12.229 19.605 4.506 1.00 60.53 H new ATOM 0 HE1 TYR A 38 7.505 18.520 5.344 1.00 13.51 H new ATOM 0 HE2 TYR A 38 11.622 17.416 5.436 1.00 25.54 H new ATOM 0 HH TYR A 38 9.998 16.082 6.116 1.00 71.44 H new ATOM 566 N SER A 39 12.305 24.432 4.451 1.00 54.20 N ATOM 567 CA SER A 39 12.897 25.647 3.902 1.00 32.54 C ATOM 568 C SER A 39 13.178 25.488 2.411 1.00 23.03 C ATOM 569 O SER A 39 13.427 26.467 1.708 1.00 51.23 O ATOM 570 CB SER A 39 14.191 25.988 4.644 1.00 52.13 C ATOM 571 OG SER A 39 14.574 24.936 5.512 1.00 31.12 O ATOM 0 H SER A 39 12.935 23.883 5.036 1.00 54.20 H new ATOM 0 HA SER A 39 12.185 26.462 4.034 1.00 32.54 H new ATOM 0 HB2 SER A 39 14.987 26.178 3.924 1.00 52.13 H new ATOM 0 HB3 SER A 39 14.054 26.905 5.217 1.00 52.13 H new ATOM 0 HG SER A 39 15.444 25.143 5.912 1.00 31.12 H new ATOM 577 N ASP A 40 13.137 24.248 1.937 1.00 64.12 N ATOM 578 CA ASP A 40 13.387 23.959 0.529 1.00 12.22 C ATOM 579 C ASP A 40 12.244 24.471 -0.341 1.00 55.24 C ATOM 580 O ASP A 40 12.350 24.504 -1.567 1.00 15.34 O ATOM 581 CB ASP A 40 13.570 22.455 0.320 1.00 51.23 C ATOM 582 CG ASP A 40 14.375 22.138 -0.925 1.00 24.12 C ATOM 583 OD1 ASP A 40 15.579 22.472 -0.954 1.00 73.23 O ATOM 584 OD2 ASP A 40 13.803 21.555 -1.869 1.00 31.01 O ATOM 0 H ASP A 40 12.933 23.427 2.506 1.00 64.12 H new ATOM 0 HA ASP A 40 14.302 24.472 0.234 1.00 12.22 H new ATOM 0 HB2 ASP A 40 14.069 22.028 1.190 1.00 51.23 H new ATOM 0 HB3 ASP A 40 12.592 21.979 0.248 1.00 51.23 H new ATOM 589 N GLY A 41 11.149 24.869 0.301 1.00 63.10 N ATOM 590 CA GLY A 41 10.002 25.373 -0.430 1.00 75.54 C ATOM 591 C GLY A 41 8.833 24.407 -0.413 1.00 23.25 C ATOM 592 O GLY A 41 8.054 24.344 -1.364 1.00 65.15 O ATOM 0 H GLY A 41 11.037 24.851 1.315 1.00 63.10 H new ATOM 0 HA2 GLY A 41 9.690 26.324 0.001 1.00 75.54 H new ATOM 0 HA3 GLY A 41 10.291 25.571 -1.462 1.00 75.54 H new ATOM 596 N THR A 42 8.710 23.649 0.673 1.00 0.41 N ATOM 597 CA THR A 42 7.631 22.680 0.810 1.00 35.12 C ATOM 598 C THR A 42 6.930 22.824 2.156 1.00 31.23 C ATOM 599 O THR A 42 7.404 23.536 3.042 1.00 55.33 O ATOM 600 CB THR A 42 8.150 21.237 0.666 1.00 33.11 C ATOM 601 OG1 THR A 42 9.537 21.248 0.310 1.00 54.52 O ATOM 602 CG2 THR A 42 7.356 20.479 -0.388 1.00 5.03 C ATOM 0 H THR A 42 9.345 23.688 1.470 1.00 0.41 H new ATOM 0 HA THR A 42 6.920 22.884 0.010 1.00 35.12 H new ATOM 0 HB THR A 42 8.026 20.732 1.624 1.00 33.11 H new ATOM 0 HG1 THR A 42 9.859 20.327 0.222 1.00 54.52 H new ATOM 0 HG21 THR A 42 7.741 19.463 -0.472 1.00 5.03 H new ATOM 0 HG22 THR A 42 6.306 20.447 -0.099 1.00 5.03 H new ATOM 0 HG23 THR A 42 7.452 20.984 -1.349 1.00 5.03 H new ATOM 610 N LYS A 43 5.799 22.142 2.305 1.00 10.42 N ATOM 611 CA LYS A 43 5.033 22.192 3.545 1.00 52.12 C ATOM 612 C LYS A 43 4.327 20.865 3.802 1.00 72.44 C ATOM 613 O LYS A 43 3.615 20.352 2.938 1.00 11.34 O ATOM 614 CB LYS A 43 4.006 23.325 3.489 1.00 51.44 C ATOM 615 CG LYS A 43 3.084 23.252 2.284 1.00 44.15 C ATOM 616 CD LYS A 43 1.624 23.346 2.692 1.00 72.41 C ATOM 617 CE LYS A 43 1.137 22.049 3.320 1.00 14.04 C ATOM 618 NZ LYS A 43 -0.162 22.229 4.026 1.00 32.53 N ATOM 0 H LYS A 43 5.393 21.548 1.582 1.00 10.42 H new ATOM 0 HA LYS A 43 5.727 22.379 4.364 1.00 52.12 H new ATOM 0 HB2 LYS A 43 3.405 23.304 4.398 1.00 51.44 H new ATOM 0 HB3 LYS A 43 4.531 24.280 3.476 1.00 51.44 H new ATOM 0 HG2 LYS A 43 3.322 24.061 1.593 1.00 44.15 H new ATOM 0 HG3 LYS A 43 3.254 22.317 1.751 1.00 44.15 H new ATOM 0 HD2 LYS A 43 1.495 24.165 3.399 1.00 72.41 H new ATOM 0 HD3 LYS A 43 1.015 23.580 1.819 1.00 72.41 H new ATOM 0 HE2 LYS A 43 1.028 21.289 2.546 1.00 14.04 H new ATOM 0 HE3 LYS A 43 1.885 21.682 4.023 1.00 14.04 H new ATOM 0 HZ1 LYS A 43 -0.460 21.323 4.440 1.00 32.53 H new ATOM 0 HZ2 LYS A 43 -0.052 22.936 4.781 1.00 32.53 H new ATOM 0 HZ3 LYS A 43 -0.882 22.554 3.350 1.00 32.53 H new ATOM 632 N ALA A 44 4.528 20.314 4.994 1.00 30.42 N ATOM 633 CA ALA A 44 3.908 19.048 5.365 1.00 33.23 C ATOM 634 C ALA A 44 3.598 19.005 6.858 1.00 63.11 C ATOM 635 O ALA A 44 4.425 19.391 7.684 1.00 1.13 O ATOM 636 CB ALA A 44 4.809 17.885 4.978 1.00 72.25 C ATOM 0 H ALA A 44 5.116 20.724 5.720 1.00 30.42 H new ATOM 0 HA ALA A 44 2.967 18.960 4.822 1.00 33.23 H new ATOM 0 HB1 ALA A 44 4.333 16.946 5.261 1.00 72.25 H new ATOM 0 HB2 ALA A 44 4.976 17.897 3.901 1.00 72.25 H new ATOM 0 HB3 ALA A 44 5.765 17.978 5.494 1.00 72.25 H new ATOM 642 N ASP A 45 2.403 18.534 7.196 1.00 21.11 N ATOM 643 CA ASP A 45 1.985 18.440 8.590 1.00 54.31 C ATOM 644 C ASP A 45 2.187 17.026 9.124 1.00 23.04 C ATOM 645 O ASP A 45 1.399 16.124 8.838 1.00 63.40 O ATOM 646 CB ASP A 45 0.517 18.847 8.732 1.00 1.24 C ATOM 647 CG ASP A 45 -0.337 18.346 7.585 1.00 61.53 C ATOM 648 OD1 ASP A 45 -0.013 17.276 7.028 1.00 31.44 O ATOM 649 OD2 ASP A 45 -1.329 19.023 7.242 1.00 4.31 O ATOM 0 H ASP A 45 1.707 18.211 6.524 1.00 21.11 H new ATOM 0 HA ASP A 45 2.602 19.121 9.176 1.00 54.31 H new ATOM 0 HB2 ASP A 45 0.124 18.457 9.671 1.00 1.24 H new ATOM 0 HB3 ASP A 45 0.448 19.934 8.785 1.00 1.24 H new ATOM 654 N LEU A 46 3.249 16.839 9.901 1.00 14.22 N ATOM 655 CA LEU A 46 3.556 15.534 10.475 1.00 23.15 C ATOM 656 C LEU A 46 3.704 15.627 11.991 1.00 72.22 C ATOM 657 O LEU A 46 4.515 16.400 12.501 1.00 42.32 O ATOM 658 CB LEU A 46 4.840 14.974 9.860 1.00 32.30 C ATOM 659 CG LEU A 46 4.787 14.663 8.364 1.00 53.43 C ATOM 660 CD1 LEU A 46 6.072 15.106 7.681 1.00 75.01 C ATOM 661 CD2 LEU A 46 4.543 13.179 8.135 1.00 23.32 C ATOM 0 H LEU A 46 3.911 17.575 10.148 1.00 14.22 H new ATOM 0 HA LEU A 46 2.728 14.861 10.249 1.00 23.15 H new ATOM 0 HB2 LEU A 46 5.644 15.689 10.034 1.00 32.30 H new ATOM 0 HB3 LEU A 46 5.105 14.060 10.392 1.00 32.30 H new ATOM 0 HG LEU A 46 3.957 15.218 7.927 1.00 53.43 H new ATOM 0 HD11 LEU A 46 6.016 14.877 6.617 1.00 75.01 H new ATOM 0 HD12 LEU A 46 6.203 16.180 7.814 1.00 75.01 H new ATOM 0 HD13 LEU A 46 6.919 14.579 8.122 1.00 75.01 H new ATOM 0 HD21 LEU A 46 4.508 12.977 7.064 1.00 23.32 H new ATOM 0 HD22 LEU A 46 5.351 12.603 8.587 1.00 23.32 H new ATOM 0 HD23 LEU A 46 3.595 12.892 8.589 1.00 23.32 H new ATOM 673 N THR A 47 2.915 14.831 12.707 1.00 42.30 N ATOM 674 CA THR A 47 2.958 14.823 14.164 1.00 64.43 C ATOM 675 C THR A 47 3.876 13.720 14.680 1.00 42.40 C ATOM 676 O THR A 47 4.353 13.777 15.814 1.00 72.45 O ATOM 677 CB THR A 47 1.554 14.630 14.766 1.00 30.23 C ATOM 678 OG1 THR A 47 1.593 14.852 16.180 1.00 31.34 O ATOM 679 CG2 THR A 47 1.031 13.230 14.482 1.00 55.14 C ATOM 0 H THR A 47 2.239 14.184 12.301 1.00 42.30 H new ATOM 0 HA THR A 47 3.348 15.792 14.475 1.00 64.43 H new ATOM 0 HB THR A 47 0.882 15.353 14.303 1.00 30.23 H new ATOM 0 HG1 THR A 47 1.422 15.799 16.367 1.00 31.34 H new ATOM 0 HG21 THR A 47 0.038 13.117 14.917 1.00 55.14 H new ATOM 0 HG22 THR A 47 0.975 13.074 13.405 1.00 55.14 H new ATOM 0 HG23 THR A 47 1.705 12.494 14.921 1.00 55.14 H new ATOM 687 N SER A 48 4.121 12.719 13.841 1.00 74.10 N ATOM 688 CA SER A 48 4.980 11.601 14.214 1.00 14.24 C ATOM 689 C SER A 48 6.452 11.988 14.108 1.00 15.20 C ATOM 690 O SER A 48 7.304 11.426 14.796 1.00 52.22 O ATOM 691 CB SER A 48 4.693 10.391 13.324 1.00 62.32 C ATOM 692 OG SER A 48 5.002 10.670 11.969 1.00 33.21 O ATOM 0 H SER A 48 3.737 12.659 12.898 1.00 74.10 H new ATOM 0 HA SER A 48 4.765 11.339 15.250 1.00 14.24 H new ATOM 0 HB2 SER A 48 5.278 9.537 13.665 1.00 62.32 H new ATOM 0 HB3 SER A 48 3.643 10.113 13.411 1.00 62.32 H new ATOM 0 HG SER A 48 4.812 9.880 11.421 1.00 33.21 H new ATOM 698 N SER A 49 6.742 12.953 13.241 1.00 62.54 N ATOM 699 CA SER A 49 8.111 13.413 13.040 1.00 1.21 C ATOM 700 C SER A 49 8.662 14.049 14.313 1.00 62.22 C ATOM 701 O SER A 49 9.803 13.798 14.703 1.00 73.45 O ATOM 702 CB SER A 49 8.170 14.418 11.888 1.00 51.01 C ATOM 703 OG SER A 49 9.447 14.415 11.273 1.00 33.11 O ATOM 0 H SER A 49 6.048 13.431 12.667 1.00 62.54 H new ATOM 0 HA SER A 49 8.726 12.548 12.790 1.00 1.21 H new ATOM 0 HB2 SER A 49 7.407 14.174 11.149 1.00 51.01 H new ATOM 0 HB3 SER A 49 7.945 15.417 12.261 1.00 51.01 H new ATOM 0 HG SER A 49 9.710 15.335 11.061 1.00 33.11 H new ATOM 709 N VAL A 50 7.843 14.874 14.957 1.00 4.40 N ATOM 710 CA VAL A 50 8.247 15.546 16.187 1.00 52.25 C ATOM 711 C VAL A 50 8.291 14.570 17.357 1.00 43.21 C ATOM 712 O VAL A 50 7.473 13.655 17.449 1.00 75.13 O ATOM 713 CB VAL A 50 7.291 16.703 16.533 1.00 3.43 C ATOM 714 CG1 VAL A 50 5.854 16.209 16.597 1.00 24.32 C ATOM 715 CG2 VAL A 50 7.699 17.355 17.846 1.00 35.44 C ATOM 0 H VAL A 50 6.896 15.093 14.648 1.00 4.40 H new ATOM 0 HA VAL A 50 9.246 15.948 16.016 1.00 52.25 H new ATOM 0 HB VAL A 50 7.356 17.453 15.745 1.00 3.43 H new ATOM 0 HG11 VAL A 50 5.194 17.041 16.843 1.00 24.32 H new ATOM 0 HG12 VAL A 50 5.569 15.793 15.631 1.00 24.32 H new ATOM 0 HG13 VAL A 50 5.768 15.439 17.364 1.00 24.32 H new ATOM 0 HG21 VAL A 50 7.013 18.171 18.076 1.00 35.44 H new ATOM 0 HG22 VAL A 50 7.664 16.615 18.646 1.00 35.44 H new ATOM 0 HG23 VAL A 50 8.712 17.747 17.758 1.00 35.44 H new ATOM 725 N THR A 51 9.254 14.771 18.252 1.00 54.40 N ATOM 726 CA THR A 51 9.406 13.909 19.417 1.00 1.30 C ATOM 727 C THR A 51 8.714 14.506 20.637 1.00 4.42 C ATOM 728 O THR A 51 8.901 15.681 20.955 1.00 54.02 O ATOM 729 CB THR A 51 10.891 13.670 19.749 1.00 42.44 C ATOM 730 OG1 THR A 51 11.701 13.956 18.603 1.00 61.33 O ATOM 731 CG2 THR A 51 11.122 12.234 20.194 1.00 0.31 C ATOM 0 H THR A 51 9.940 15.523 18.192 1.00 54.40 H new ATOM 0 HA THR A 51 8.939 12.956 19.168 1.00 1.30 H new ATOM 0 HB THR A 51 11.170 14.336 20.566 1.00 42.44 H new ATOM 0 HG1 THR A 51 12.644 13.803 18.822 1.00 61.33 H new ATOM 0 HG21 THR A 51 12.178 12.089 20.423 1.00 0.31 H new ATOM 0 HG22 THR A 51 10.526 12.028 21.083 1.00 0.31 H new ATOM 0 HG23 THR A 51 10.828 11.554 19.395 1.00 0.31 H new ATOM 739 N TRP A 52 7.917 13.691 21.317 1.00 21.33 N ATOM 740 CA TRP A 52 7.198 14.139 22.504 1.00 11.42 C ATOM 741 C TRP A 52 7.695 13.413 23.749 1.00 33.40 C ATOM 742 O TRP A 52 7.740 12.183 23.784 1.00 22.04 O ATOM 743 CB TRP A 52 5.695 13.912 22.331 1.00 22.05 C ATOM 744 CG TRP A 52 5.133 14.564 21.105 1.00 51.13 C ATOM 745 CD1 TRP A 52 5.054 14.024 19.853 1.00 41.43 C ATOM 746 CD2 TRP A 52 4.573 15.879 21.013 1.00 22.31 C ATOM 747 NE1 TRP A 52 4.479 14.924 18.988 1.00 1.42 N ATOM 748 CE2 TRP A 52 4.174 16.069 19.676 1.00 42.33 C ATOM 749 CE3 TRP A 52 4.368 16.912 21.931 1.00 42.42 C ATOM 750 CZ2 TRP A 52 3.584 17.252 19.236 1.00 23.55 C ATOM 751 CZ3 TRP A 52 3.783 18.085 21.493 1.00 11.23 C ATOM 752 CH2 TRP A 52 3.396 18.247 20.156 1.00 32.13 C ATOM 0 H TRP A 52 7.752 12.716 21.067 1.00 21.33 H new ATOM 0 HA TRP A 52 7.385 15.205 22.630 1.00 11.42 H new ATOM 0 HB2 TRP A 52 5.500 12.841 22.286 1.00 22.05 H new ATOM 0 HB3 TRP A 52 5.174 14.295 23.209 1.00 22.05 H new ATOM 0 HD1 TRP A 52 5.393 13.035 19.582 1.00 41.43 H new ATOM 0 HE1 TRP A 52 4.307 14.765 17.995 1.00 1.42 H new ATOM 0 HE3 TRP A 52 4.661 16.796 22.964 1.00 42.42 H new ATOM 0 HZ2 TRP A 52 3.286 17.379 18.206 1.00 23.55 H new ATOM 0 HZ3 TRP A 52 3.621 18.891 22.193 1.00 11.23 H new ATOM 0 HH2 TRP A 52 2.940 19.176 19.846 1.00 32.13 H new ATOM 763 N SER A 53 8.066 14.180 24.769 1.00 41.23 N ATOM 764 CA SER A 53 8.563 13.608 26.015 1.00 42.34 C ATOM 765 C SER A 53 8.044 14.391 27.217 1.00 43.32 C ATOM 766 O SER A 53 8.161 15.615 27.272 1.00 51.44 O ATOM 767 CB SER A 53 10.093 13.597 26.021 1.00 41.14 C ATOM 768 OG SER A 53 10.593 12.272 26.070 1.00 42.24 O ATOM 0 H SER A 53 8.032 15.199 24.757 1.00 41.23 H new ATOM 0 HA SER A 53 8.199 12.583 26.086 1.00 42.34 H new ATOM 0 HB2 SER A 53 10.467 14.097 25.128 1.00 41.14 H new ATOM 0 HB3 SER A 53 10.461 14.160 26.879 1.00 41.14 H new ATOM 0 HG SER A 53 11.573 12.292 26.071 1.00 42.24 H new ATOM 774 N SER A 54 7.471 13.675 28.179 1.00 54.25 N ATOM 775 CA SER A 54 6.930 14.302 29.379 1.00 73.10 C ATOM 776 C SER A 54 7.648 13.797 30.626 1.00 24.24 C ATOM 777 O SER A 54 8.191 12.692 30.639 1.00 31.11 O ATOM 778 CB SER A 54 5.430 14.024 29.493 1.00 14.12 C ATOM 779 OG SER A 54 4.722 15.192 29.874 1.00 63.54 O ATOM 0 H SER A 54 7.369 12.660 28.151 1.00 54.25 H new ATOM 0 HA SER A 54 7.088 15.378 29.300 1.00 73.10 H new ATOM 0 HB2 SER A 54 5.051 13.660 28.538 1.00 14.12 H new ATOM 0 HB3 SER A 54 5.258 13.235 30.225 1.00 14.12 H new ATOM 0 HG SER A 54 5.357 15.919 30.045 1.00 63.54 H new ATOM 785 N SER A 55 7.648 14.615 31.674 1.00 34.31 N ATOM 786 CA SER A 55 8.302 14.254 32.926 1.00 25.21 C ATOM 787 C SER A 55 7.820 12.893 33.419 1.00 63.33 C ATOM 788 O SER A 55 8.534 11.896 33.318 1.00 73.34 O ATOM 789 CB SER A 55 8.035 15.319 33.992 1.00 72.45 C ATOM 790 OG SER A 55 9.184 16.117 34.215 1.00 62.12 O ATOM 0 H SER A 55 7.202 15.532 31.681 1.00 34.31 H new ATOM 0 HA SER A 55 9.375 14.195 32.742 1.00 25.21 H new ATOM 0 HB2 SER A 55 7.204 15.951 33.678 1.00 72.45 H new ATOM 0 HB3 SER A 55 7.736 14.839 34.924 1.00 72.45 H new ATOM 0 HG SER A 55 8.987 16.791 34.899 1.00 62.12 H new ATOM 796 N ASN A 56 6.604 12.861 33.952 1.00 35.34 N ATOM 797 CA ASN A 56 6.025 11.623 34.462 1.00 73.21 C ATOM 798 C ASN A 56 5.835 10.608 33.338 1.00 2.24 C ATOM 799 O ASN A 56 5.017 10.808 32.441 1.00 63.22 O ATOM 800 CB ASN A 56 4.683 11.905 35.142 1.00 62.54 C ATOM 801 CG ASN A 56 4.845 12.644 36.456 1.00 51.14 C ATOM 802 OD1 ASN A 56 5.655 12.262 37.300 1.00 32.23 O ATOM 803 ND2 ASN A 56 4.072 13.709 36.634 1.00 41.32 N ATOM 0 H ASN A 56 6.000 13.678 34.042 1.00 35.34 H new ATOM 0 HA ASN A 56 6.715 11.203 35.194 1.00 73.21 H new ATOM 0 HB2 ASN A 56 4.056 12.493 34.472 1.00 62.54 H new ATOM 0 HB3 ASN A 56 4.164 10.963 35.320 1.00 62.54 H new ATOM 0 HD21 ASN A 56 4.136 14.247 37.498 1.00 41.32 H new ATOM 0 HD22 ASN A 56 3.414 13.989 35.906 1.00 41.32 H new ATOM 810 N GLN A 57 6.596 9.520 33.396 1.00 4.24 N ATOM 811 CA GLN A 57 6.512 8.475 32.384 1.00 71.53 C ATOM 812 C GLN A 57 5.195 7.714 32.495 1.00 54.10 C ATOM 813 O GLN A 57 4.840 6.934 31.611 1.00 24.12 O ATOM 814 CB GLN A 57 7.687 7.505 32.522 1.00 42.31 C ATOM 815 CG GLN A 57 8.306 7.106 31.192 1.00 3.20 C ATOM 816 CD GLN A 57 8.015 5.665 30.822 1.00 53.44 C ATOM 817 OE1 GLN A 57 8.417 4.738 31.525 1.00 73.03 O ATOM 818 NE2 GLN A 57 7.312 5.470 29.712 1.00 34.22 N ATOM 0 H GLN A 57 7.277 9.340 34.133 1.00 4.24 H new ATOM 0 HA GLN A 57 6.555 8.950 31.404 1.00 71.53 H new ATOM 0 HB2 GLN A 57 8.454 7.963 33.147 1.00 42.31 H new ATOM 0 HB3 GLN A 57 7.348 6.608 33.039 1.00 42.31 H new ATOM 0 HG2 GLN A 57 7.928 7.762 30.408 1.00 3.20 H new ATOM 0 HG3 GLN A 57 9.385 7.254 31.239 1.00 3.20 H new ATOM 0 HE21 GLN A 57 6.999 6.268 29.160 1.00 34.22 H new ATOM 0 HE22 GLN A 57 7.085 4.522 29.412 1.00 34.22 H new ATOM 827 N SER A 58 4.473 7.947 33.587 1.00 61.42 N ATOM 828 CA SER A 58 3.197 7.280 33.816 1.00 55.12 C ATOM 829 C SER A 58 2.089 7.930 32.992 1.00 60.11 C ATOM 830 O SER A 58 1.286 7.243 32.362 1.00 73.30 O ATOM 831 CB SER A 58 2.834 7.322 35.302 1.00 42.45 C ATOM 832 OG SER A 58 3.082 6.073 35.923 1.00 42.22 O ATOM 0 H SER A 58 4.750 8.593 34.327 1.00 61.42 H new ATOM 0 HA SER A 58 3.297 6.241 33.503 1.00 55.12 H new ATOM 0 HB2 SER A 58 3.413 8.100 35.799 1.00 42.45 H new ATOM 0 HB3 SER A 58 1.782 7.586 35.415 1.00 42.45 H new ATOM 0 HG SER A 58 2.844 6.126 36.872 1.00 42.22 H new ATOM 838 N GLN A 59 2.054 9.259 33.003 1.00 62.54 N ATOM 839 CA GLN A 59 1.045 10.002 32.257 1.00 22.22 C ATOM 840 C GLN A 59 1.600 10.483 30.921 1.00 44.22 C ATOM 841 O GLN A 59 0.895 11.118 30.137 1.00 22.01 O ATOM 842 CB GLN A 59 0.551 11.195 33.077 1.00 32.31 C ATOM 843 CG GLN A 59 1.667 12.113 33.548 1.00 13.25 C ATOM 844 CD GLN A 59 1.628 12.359 35.044 1.00 73.11 C ATOM 845 OE1 GLN A 59 1.591 13.504 35.496 1.00 71.32 O ATOM 846 NE2 GLN A 59 1.636 11.282 35.821 1.00 14.44 N ATOM 0 H GLN A 59 2.712 9.843 33.520 1.00 62.54 H new ATOM 0 HA GLN A 59 0.207 9.332 32.061 1.00 22.22 H new ATOM 0 HB2 GLN A 59 -0.153 11.771 32.477 1.00 32.31 H new ATOM 0 HB3 GLN A 59 0.004 10.827 33.945 1.00 32.31 H new ATOM 0 HG2 GLN A 59 2.629 11.676 33.280 1.00 13.25 H new ATOM 0 HG3 GLN A 59 1.593 13.066 33.025 1.00 13.25 H new ATOM 0 HE21 GLN A 59 1.667 10.352 35.403 1.00 14.44 H new ATOM 0 HE22 GLN A 59 1.611 11.385 36.835 1.00 14.44 H new ATOM 855 N ALA A 60 2.869 10.177 30.668 1.00 53.12 N ATOM 856 CA ALA A 60 3.518 10.577 29.426 1.00 51.24 C ATOM 857 C ALA A 60 3.037 9.725 28.256 1.00 43.12 C ATOM 858 O ALA A 60 3.753 8.843 27.781 1.00 31.35 O ATOM 859 CB ALA A 60 5.030 10.481 29.565 1.00 31.43 C ATOM 0 H ALA A 60 3.467 9.653 31.307 1.00 53.12 H new ATOM 0 HA ALA A 60 3.248 11.613 29.222 1.00 51.24 H new ATOM 0 HB1 ALA A 60 5.501 10.783 28.630 1.00 31.43 H new ATOM 0 HB2 ALA A 60 5.364 11.138 30.368 1.00 31.43 H new ATOM 0 HB3 ALA A 60 5.310 9.453 29.797 1.00 31.43 H new ATOM 865 N LYS A 61 1.821 9.994 27.795 1.00 54.04 N ATOM 866 CA LYS A 61 1.243 9.253 26.680 1.00 63.24 C ATOM 867 C LYS A 61 0.943 10.181 25.507 1.00 72.32 C ATOM 868 O LYS A 61 0.447 11.292 25.693 1.00 42.21 O ATOM 869 CB LYS A 61 -0.037 8.541 27.122 1.00 53.22 C ATOM 870 CG LYS A 61 0.010 7.034 26.938 1.00 11.13 C ATOM 871 CD LYS A 61 1.095 6.402 27.793 1.00 4.03 C ATOM 872 CE LYS A 61 0.902 4.899 27.918 1.00 33.42 C ATOM 873 NZ LYS A 61 1.959 4.141 27.194 1.00 63.04 N ATOM 0 H LYS A 61 1.215 10.721 28.177 1.00 54.04 H new ATOM 0 HA LYS A 61 1.971 8.509 26.355 1.00 63.24 H new ATOM 0 HB2 LYS A 61 -0.223 8.765 28.173 1.00 53.22 H new ATOM 0 HB3 LYS A 61 -0.879 8.941 26.557 1.00 53.22 H new ATOM 0 HG2 LYS A 61 -0.957 6.604 27.199 1.00 11.13 H new ATOM 0 HG3 LYS A 61 0.190 6.800 25.889 1.00 11.13 H new ATOM 0 HD2 LYS A 61 2.071 6.609 27.355 1.00 4.03 H new ATOM 0 HD3 LYS A 61 1.088 6.854 28.785 1.00 4.03 H new ATOM 0 HE2 LYS A 61 0.911 4.618 28.971 1.00 33.42 H new ATOM 0 HE3 LYS A 61 -0.076 4.625 27.523 1.00 33.42 H new ATOM 0 HZ1 LYS A 61 1.791 3.121 27.304 1.00 63.04 H new ATOM 0 HZ2 LYS A 61 1.934 4.389 26.184 1.00 63.04 H new ATOM 0 HZ3 LYS A 61 2.891 4.383 27.587 1.00 63.04 H new ATOM 887 N VAL A 62 1.245 9.717 24.298 1.00 35.43 N ATOM 888 CA VAL A 62 1.004 10.504 23.095 1.00 61.00 C ATOM 889 C VAL A 62 0.481 9.629 21.961 1.00 1.22 C ATOM 890 O VAL A 62 0.758 8.431 21.910 1.00 71.14 O ATOM 891 CB VAL A 62 2.285 11.220 22.627 1.00 22.24 C ATOM 892 CG1 VAL A 62 2.610 12.388 23.546 1.00 22.42 C ATOM 893 CG2 VAL A 62 3.448 10.242 22.563 1.00 24.51 C ATOM 0 H VAL A 62 1.657 8.800 24.126 1.00 35.43 H new ATOM 0 HA VAL A 62 0.252 11.250 23.351 1.00 61.00 H new ATOM 0 HB VAL A 62 2.115 11.614 21.625 1.00 22.24 H new ATOM 0 HG11 VAL A 62 3.518 12.882 23.200 1.00 22.42 H new ATOM 0 HG12 VAL A 62 1.784 13.099 23.536 1.00 22.42 H new ATOM 0 HG13 VAL A 62 2.761 12.021 24.561 1.00 22.42 H new ATOM 0 HG21 VAL A 62 4.345 10.765 22.231 1.00 24.51 H new ATOM 0 HG22 VAL A 62 3.621 9.817 23.552 1.00 24.51 H new ATOM 0 HG23 VAL A 62 3.213 9.442 21.861 1.00 24.51 H new ATOM 903 N SER A 63 -0.276 10.237 21.053 1.00 33.24 N ATOM 904 CA SER A 63 -0.841 9.513 19.921 1.00 74.50 C ATOM 905 C SER A 63 -0.386 10.128 18.601 1.00 35.20 C ATOM 906 O SER A 63 -1.203 10.589 17.805 1.00 1.50 O ATOM 907 CB SER A 63 -2.369 9.515 19.998 1.00 34.01 C ATOM 908 OG SER A 63 -2.812 9.537 21.344 1.00 30.10 O ATOM 0 H SER A 63 -0.512 11.229 21.080 1.00 33.24 H new ATOM 0 HA SER A 63 -0.484 8.484 19.965 1.00 74.50 H new ATOM 0 HB2 SER A 63 -2.762 10.383 19.468 1.00 34.01 H new ATOM 0 HB3 SER A 63 -2.763 8.631 19.497 1.00 34.01 H new ATOM 0 HG SER A 63 -3.588 8.946 21.443 1.00 30.10 H new ATOM 914 N ASN A 64 0.924 10.130 18.377 1.00 74.12 N ATOM 915 CA ASN A 64 1.489 10.689 17.154 1.00 32.40 C ATOM 916 C ASN A 64 1.847 9.583 16.166 1.00 72.05 C ATOM 917 O ASN A 64 2.935 9.012 16.224 1.00 5.34 O ATOM 918 CB ASN A 64 2.731 11.522 17.476 1.00 51.00 C ATOM 919 CG ASN A 64 3.775 10.732 18.242 1.00 54.12 C ATOM 920 OD1 ASN A 64 4.775 10.291 17.675 1.00 13.42 O ATOM 921 ND2 ASN A 64 3.545 10.549 19.537 1.00 4.50 N ATOM 0 H ASN A 64 1.614 9.751 19.026 1.00 74.12 H new ATOM 0 HA ASN A 64 0.737 11.332 16.696 1.00 32.40 H new ATOM 0 HB2 ASN A 64 3.168 11.892 16.548 1.00 51.00 H new ATOM 0 HB3 ASN A 64 2.438 12.394 18.060 1.00 51.00 H new ATOM 0 HD21 ASN A 64 4.211 10.025 20.104 1.00 4.50 H new ATOM 0 HD22 ASN A 64 2.702 10.933 19.965 1.00 4.50 H new ATOM 928 N ALA A 65 0.923 9.287 15.257 1.00 33.45 N ATOM 929 CA ALA A 65 1.141 8.252 14.255 1.00 65.25 C ATOM 930 C ALA A 65 0.050 8.279 13.190 1.00 12.32 C ATOM 931 O ALA A 65 0.315 8.054 12.010 1.00 71.55 O ATOM 932 CB ALA A 65 1.204 6.882 14.914 1.00 13.23 C ATOM 0 H ALA A 65 0.016 9.750 15.195 1.00 33.45 H new ATOM 0 HA ALA A 65 2.095 8.451 13.766 1.00 65.25 H new ATOM 0 HB1 ALA A 65 1.367 6.119 14.153 1.00 13.23 H new ATOM 0 HB2 ALA A 65 2.025 6.861 15.631 1.00 13.23 H new ATOM 0 HB3 ALA A 65 0.265 6.683 15.431 1.00 13.23 H new ATOM 938 N SER A 66 -1.178 8.557 13.616 1.00 75.41 N ATOM 939 CA SER A 66 -2.312 8.609 12.699 1.00 5.05 C ATOM 940 C SER A 66 -2.000 9.500 11.501 1.00 50.11 C ATOM 941 O SER A 66 -2.214 9.111 10.353 1.00 12.33 O ATOM 942 CB SER A 66 -3.557 9.125 13.423 1.00 4.23 C ATOM 943 OG SER A 66 -4.539 8.110 13.535 1.00 0.13 O ATOM 0 H SER A 66 -1.414 8.750 14.590 1.00 75.41 H new ATOM 0 HA SER A 66 -2.503 7.598 12.338 1.00 5.05 H new ATOM 0 HB2 SER A 66 -3.283 9.481 14.416 1.00 4.23 H new ATOM 0 HB3 SER A 66 -3.970 9.976 12.882 1.00 4.23 H new ATOM 0 HG SER A 66 -5.324 8.464 14.003 1.00 0.13 H new ATOM 949 N GLU A 67 -1.493 10.698 11.778 1.00 71.55 N ATOM 950 CA GLU A 67 -1.153 11.645 10.722 1.00 21.43 C ATOM 951 C GLU A 67 -0.654 12.960 11.312 1.00 3.43 C ATOM 952 O GLU A 67 0.549 13.224 11.344 1.00 51.24 O ATOM 953 CB GLU A 67 -2.367 11.902 9.827 1.00 44.40 C ATOM 954 CG GLU A 67 -2.252 11.272 8.449 1.00 24.13 C ATOM 955 CD GLU A 67 -3.470 10.448 8.081 1.00 31.33 C ATOM 956 OE1 GLU A 67 -4.601 10.937 8.282 1.00 40.52 O ATOM 957 OE2 GLU A 67 -3.292 9.312 7.592 1.00 1.43 O ATOM 0 H GLU A 67 -1.309 11.035 12.723 1.00 71.55 H new ATOM 0 HA GLU A 67 -0.354 11.210 10.121 1.00 21.43 H new ATOM 0 HB2 GLU A 67 -3.259 11.516 10.320 1.00 44.40 H new ATOM 0 HB3 GLU A 67 -2.504 12.978 9.715 1.00 44.40 H new ATOM 0 HG2 GLU A 67 -2.111 12.057 7.706 1.00 24.13 H new ATOM 0 HG3 GLU A 67 -1.366 10.638 8.416 1.00 24.13 H new ATOM 964 N THR A 68 -1.587 13.784 11.779 1.00 4.55 N ATOM 965 CA THR A 68 -1.243 15.073 12.367 1.00 52.32 C ATOM 966 C THR A 68 -1.947 15.273 13.704 1.00 10.11 C ATOM 967 O THR A 68 -2.171 16.404 14.137 1.00 21.31 O ATOM 968 CB THR A 68 -1.613 16.236 11.426 1.00 20.32 C ATOM 969 OG1 THR A 68 -3.015 16.512 11.517 1.00 51.12 O ATOM 970 CG2 THR A 68 -1.248 15.904 9.987 1.00 12.30 C ATOM 0 H THR A 68 -2.587 13.582 11.761 1.00 4.55 H new ATOM 0 HA THR A 68 -0.164 15.071 12.524 1.00 52.32 H new ATOM 0 HB THR A 68 -1.049 17.117 11.733 1.00 20.32 H new ATOM 0 HG1 THR A 68 -3.150 17.467 11.691 1.00 51.12 H new ATOM 0 HG21 THR A 68 -1.518 16.739 9.341 1.00 12.30 H new ATOM 0 HG22 THR A 68 -0.175 15.723 9.916 1.00 12.30 H new ATOM 0 HG23 THR A 68 -1.788 15.012 9.671 1.00 12.30 H new ATOM 978 N LYS A 69 -2.294 14.168 14.356 1.00 42.32 N ATOM 979 CA LYS A 69 -2.971 14.221 15.646 1.00 41.10 C ATOM 980 C LYS A 69 -2.077 14.860 16.704 1.00 40.21 C ATOM 981 O LYS A 69 -2.160 16.061 16.958 1.00 75.00 O ATOM 982 CB LYS A 69 -3.378 12.814 16.089 1.00 11.14 C ATOM 983 CG LYS A 69 -4.588 12.269 15.349 1.00 4.45 C ATOM 984 CD LYS A 69 -5.129 11.015 16.014 1.00 72.22 C ATOM 985 CE LYS A 69 -6.576 11.194 16.447 1.00 32.12 C ATOM 986 NZ LYS A 69 -7.516 11.099 15.296 1.00 62.31 N ATOM 0 H LYS A 69 -2.117 13.224 14.011 1.00 42.32 H new ATOM 0 HA LYS A 69 -3.866 14.833 15.534 1.00 41.10 H new ATOM 0 HB2 LYS A 69 -2.536 12.138 15.940 1.00 11.14 H new ATOM 0 HB3 LYS A 69 -3.591 12.826 17.158 1.00 11.14 H new ATOM 0 HG2 LYS A 69 -5.368 13.030 15.315 1.00 4.45 H new ATOM 0 HG3 LYS A 69 -4.315 12.046 14.318 1.00 4.45 H new ATOM 0 HD2 LYS A 69 -5.056 10.175 15.323 1.00 72.22 H new ATOM 0 HD3 LYS A 69 -4.516 10.769 16.881 1.00 72.22 H new ATOM 0 HE2 LYS A 69 -6.830 10.435 17.187 1.00 32.12 H new ATOM 0 HE3 LYS A 69 -6.693 12.163 16.932 1.00 32.12 H new ATOM 0 HZ1 LYS A 69 -8.492 11.226 15.633 1.00 62.31 H new ATOM 0 HZ2 LYS A 69 -7.290 11.839 14.601 1.00 62.31 H new ATOM 0 HZ3 LYS A 69 -7.424 10.165 14.848 1.00 62.31 H new ATOM 1000 N GLY A 70 -1.220 14.049 17.317 1.00 33.11 N ATOM 1001 CA GLY A 70 -0.322 14.554 18.339 1.00 34.13 C ATOM 1002 C GLY A 70 -0.967 14.591 19.711 1.00 70.53 C ATOM 1003 O GLY A 70 -0.309 14.894 20.707 1.00 63.24 O ATOM 0 H GLY A 70 -1.132 13.051 17.124 1.00 33.11 H new ATOM 0 HA2 GLY A 70 0.569 13.928 18.377 1.00 34.13 H new ATOM 0 HA3 GLY A 70 0.005 15.558 18.067 1.00 34.13 H new ATOM 1007 N LEU A 71 -2.258 14.283 19.764 1.00 71.40 N ATOM 1008 CA LEU A 71 -2.993 14.283 21.024 1.00 54.00 C ATOM 1009 C LEU A 71 -2.230 13.517 22.100 1.00 75.21 C ATOM 1010 O LEU A 71 -1.429 12.633 21.797 1.00 23.00 O ATOM 1011 CB LEU A 71 -4.380 13.666 20.829 1.00 45.35 C ATOM 1012 CG LEU A 71 -4.434 12.139 20.785 1.00 74.25 C ATOM 1013 CD1 LEU A 71 -5.161 11.595 22.005 1.00 53.51 C ATOM 1014 CD2 LEU A 71 -5.109 11.666 19.505 1.00 13.12 C ATOM 0 H LEU A 71 -2.817 14.030 18.949 1.00 71.40 H new ATOM 0 HA LEU A 71 -3.105 15.317 21.350 1.00 54.00 H new ATOM 0 HB2 LEU A 71 -5.026 14.009 21.637 1.00 45.35 H new ATOM 0 HB3 LEU A 71 -4.800 14.052 19.900 1.00 45.35 H new ATOM 0 HG LEU A 71 -3.413 11.758 20.796 1.00 74.25 H new ATOM 0 HD11 LEU A 71 -5.190 10.506 21.956 1.00 53.51 H new ATOM 0 HD12 LEU A 71 -4.636 11.904 22.909 1.00 53.51 H new ATOM 0 HD13 LEU A 71 -6.179 11.984 22.025 1.00 53.51 H new ATOM 0 HD21 LEU A 71 -5.139 10.577 19.491 1.00 13.12 H new ATOM 0 HD22 LEU A 71 -6.125 12.057 19.464 1.00 13.12 H new ATOM 0 HD23 LEU A 71 -4.547 12.025 18.643 1.00 13.12 H new ATOM 1026 N VAL A 72 -2.487 13.860 23.358 1.00 10.11 N ATOM 1027 CA VAL A 72 -1.827 13.203 24.480 1.00 72.42 C ATOM 1028 C VAL A 72 -2.826 12.857 25.579 1.00 63.43 C ATOM 1029 O VAL A 72 -3.847 13.525 25.738 1.00 14.44 O ATOM 1030 CB VAL A 72 -0.714 14.086 25.073 1.00 41.44 C ATOM 1031 CG1 VAL A 72 0.263 14.514 23.988 1.00 51.41 C ATOM 1032 CG2 VAL A 72 -1.312 15.298 25.772 1.00 44.24 C ATOM 0 H VAL A 72 -3.148 14.589 23.626 1.00 10.11 H new ATOM 0 HA VAL A 72 -1.384 12.285 24.093 1.00 72.42 H new ATOM 0 HB VAL A 72 -0.166 13.502 25.812 1.00 41.44 H new ATOM 0 HG11 VAL A 72 1.043 15.137 24.426 1.00 51.41 H new ATOM 0 HG12 VAL A 72 0.715 13.631 23.537 1.00 51.41 H new ATOM 0 HG13 VAL A 72 -0.268 15.081 23.223 1.00 51.41 H new ATOM 0 HG21 VAL A 72 -0.511 15.911 26.185 1.00 44.24 H new ATOM 0 HG22 VAL A 72 -1.886 15.885 25.055 1.00 44.24 H new ATOM 0 HG23 VAL A 72 -1.968 14.967 26.577 1.00 44.24 H new ATOM 1042 N THR A 73 -2.524 11.807 26.336 1.00 23.42 N ATOM 1043 CA THR A 73 -3.394 11.371 27.420 1.00 35.54 C ATOM 1044 C THR A 73 -2.600 11.119 28.697 1.00 64.35 C ATOM 1045 O THR A 73 -1.420 10.772 28.647 1.00 53.13 O ATOM 1046 CB THR A 73 -4.160 10.088 27.045 1.00 73.04 C ATOM 1047 OG1 THR A 73 -4.736 10.226 25.741 1.00 74.41 O ATOM 1048 CG2 THR A 73 -5.254 9.794 28.060 1.00 75.03 C ATOM 0 H THR A 73 -1.683 11.243 26.218 1.00 23.42 H new ATOM 0 HA THR A 73 -4.109 12.176 27.593 1.00 35.54 H new ATOM 0 HB THR A 73 -3.455 9.257 27.045 1.00 73.04 H new ATOM 0 HG1 THR A 73 -5.220 9.406 25.509 1.00 74.41 H new ATOM 0 HG21 THR A 73 -5.781 8.884 27.774 1.00 75.03 H new ATOM 0 HG22 THR A 73 -4.809 9.661 29.046 1.00 75.03 H new ATOM 0 HG23 THR A 73 -5.957 10.626 28.088 1.00 75.03 H new ATOM 1056 N GLY A 74 -3.254 11.295 29.841 1.00 71.25 N ATOM 1057 CA GLY A 74 -2.592 11.081 31.114 1.00 11.43 C ATOM 1058 C GLY A 74 -3.202 9.938 31.900 1.00 31.23 C ATOM 1059 O GLY A 74 -4.356 9.569 31.678 1.00 63.12 O ATOM 0 H GLY A 74 -4.230 11.582 29.909 1.00 71.25 H new ATOM 0 HA2 GLY A 74 -1.536 10.876 30.941 1.00 11.43 H new ATOM 0 HA3 GLY A 74 -2.646 11.995 31.706 1.00 11.43 H new ATOM 1063 N ILE A 75 -2.427 9.375 32.820 1.00 25.54 N ATOM 1064 CA ILE A 75 -2.898 8.266 33.641 1.00 24.21 C ATOM 1065 C ILE A 75 -2.967 8.662 35.112 1.00 31.51 C ATOM 1066 O ILE A 75 -3.946 8.369 35.799 1.00 64.15 O ATOM 1067 CB ILE A 75 -1.988 7.032 33.496 1.00 71.55 C ATOM 1068 CG1 ILE A 75 -1.861 6.635 32.023 1.00 13.12 C ATOM 1069 CG2 ILE A 75 -2.533 5.872 34.317 1.00 41.43 C ATOM 1070 CD1 ILE A 75 -3.172 6.218 31.395 1.00 73.43 C ATOM 0 H ILE A 75 -1.470 9.668 33.016 1.00 25.54 H new ATOM 0 HA ILE A 75 -3.898 8.014 33.287 1.00 24.21 H new ATOM 0 HB ILE A 75 -0.997 7.284 33.872 1.00 71.55 H new ATOM 0 HG12 ILE A 75 -1.450 7.475 31.463 1.00 13.12 H new ATOM 0 HG13 ILE A 75 -1.149 5.815 31.936 1.00 13.12 H new ATOM 0 HG21 ILE A 75 -1.879 5.007 34.204 1.00 41.43 H new ATOM 0 HG22 ILE A 75 -2.577 6.159 35.368 1.00 41.43 H new ATOM 0 HG23 ILE A 75 -3.534 5.618 33.968 1.00 41.43 H new ATOM 0 HD11 ILE A 75 -3.007 5.950 30.351 1.00 73.43 H new ATOM 0 HD12 ILE A 75 -3.575 5.358 31.931 1.00 73.43 H new ATOM 0 HD13 ILE A 75 -3.881 7.044 31.450 1.00 73.43 H new ATOM 1082 N ALA A 76 -1.922 9.330 35.589 1.00 15.43 N ATOM 1083 CA ALA A 76 -1.866 9.770 36.978 1.00 54.12 C ATOM 1084 C ALA A 76 -2.133 11.267 37.091 1.00 52.33 C ATOM 1085 O ALA A 76 -2.290 11.957 36.083 1.00 3.34 O ATOM 1086 CB ALA A 76 -0.515 9.425 37.586 1.00 12.45 C ATOM 0 H ALA A 76 -1.103 9.578 35.034 1.00 15.43 H new ATOM 0 HA ALA A 76 -2.646 9.246 37.531 1.00 54.12 H new ATOM 0 HB1 ALA A 76 -0.487 9.759 38.623 1.00 12.45 H new ATOM 0 HB2 ALA A 76 -0.364 8.346 37.548 1.00 12.45 H new ATOM 0 HB3 ALA A 76 0.275 9.922 37.023 1.00 12.45 H new ATOM 1092 N SER A 77 -2.184 11.763 38.323 1.00 53.42 N ATOM 1093 CA SER A 77 -2.437 13.179 38.567 1.00 21.42 C ATOM 1094 C SER A 77 -1.129 13.962 38.625 1.00 62.22 C ATOM 1095 O SER A 77 -0.066 13.444 38.284 1.00 74.41 O ATOM 1096 CB SER A 77 -3.212 13.362 39.873 1.00 32.12 C ATOM 1097 OG SER A 77 -2.383 13.121 40.997 1.00 42.32 O ATOM 0 H SER A 77 -2.054 11.206 39.168 1.00 53.42 H new ATOM 0 HA SER A 77 -3.035 13.564 37.741 1.00 21.42 H new ATOM 0 HB2 SER A 77 -3.612 14.375 39.923 1.00 32.12 H new ATOM 0 HB3 SER A 77 -4.063 12.682 39.893 1.00 32.12 H new ATOM 0 HG SER A 77 -2.902 13.246 41.819 1.00 42.32 H new ATOM 1103 N GLY A 78 -1.215 15.215 39.059 1.00 15.53 N ATOM 1104 CA GLY A 78 -0.033 16.051 39.154 1.00 42.20 C ATOM 1105 C GLY A 78 -0.012 17.147 38.107 1.00 12.43 C ATOM 1106 O GLY A 78 -1.050 17.503 37.551 1.00 12.11 O ATOM 0 H GLY A 78 -2.083 15.667 39.347 1.00 15.53 H new ATOM 0 HA2 GLY A 78 0.012 16.500 40.146 1.00 42.20 H new ATOM 0 HA3 GLY A 78 0.857 15.431 39.044 1.00 42.20 H new ATOM 1110 N ASN A 79 1.173 17.686 37.839 1.00 22.55 N ATOM 1111 CA ASN A 79 1.324 18.750 36.854 1.00 63.11 C ATOM 1112 C ASN A 79 2.392 18.391 35.825 1.00 71.22 C ATOM 1113 O ASN A 79 3.451 19.014 35.749 1.00 53.34 O ATOM 1114 CB ASN A 79 1.688 20.065 37.545 1.00 4.41 C ATOM 1115 CG ASN A 79 2.659 19.866 38.693 1.00 42.10 C ATOM 1116 OD1 ASN A 79 3.791 19.425 38.494 1.00 42.23 O ATOM 1117 ND2 ASN A 79 2.219 20.191 39.903 1.00 21.21 N ATOM 0 H ASN A 79 2.043 17.403 38.291 1.00 22.55 H new ATOM 0 HA ASN A 79 0.372 18.870 36.337 1.00 63.11 H new ATOM 0 HB2 ASN A 79 2.127 20.746 36.816 1.00 4.41 H new ATOM 0 HB3 ASN A 79 0.780 20.539 37.919 1.00 4.41 H new ATOM 0 HD21 ASN A 79 2.827 20.079 40.714 1.00 21.21 H new ATOM 0 HD22 ASN A 79 1.273 20.553 40.021 1.00 21.21 H new ATOM 1124 N PRO A 80 2.108 17.361 35.013 1.00 44.52 N ATOM 1125 CA PRO A 80 3.031 16.897 33.973 1.00 72.54 C ATOM 1126 C PRO A 80 3.161 17.893 32.826 1.00 74.24 C ATOM 1127 O PRO A 80 2.178 18.506 32.407 1.00 0.11 O ATOM 1128 CB PRO A 80 2.387 15.597 33.482 1.00 14.52 C ATOM 1129 CG PRO A 80 0.937 15.755 33.788 1.00 71.34 C ATOM 1130 CD PRO A 80 0.865 16.573 35.047 1.00 25.44 C ATOM 0 HA PRO A 80 4.044 16.770 34.355 1.00 72.54 H new ATOM 0 HB2 PRO A 80 2.553 15.451 32.415 1.00 14.52 H new ATOM 0 HB3 PRO A 80 2.807 14.730 33.991 1.00 14.52 H new ATOM 0 HG2 PRO A 80 0.418 16.253 32.969 1.00 71.34 H new ATOM 0 HG3 PRO A 80 0.459 14.785 33.925 1.00 71.34 H new ATOM 0 HD2 PRO A 80 -0.017 17.214 35.060 1.00 25.44 H new ATOM 0 HD3 PRO A 80 0.814 15.942 35.934 1.00 25.44 H new ATOM 1138 N THR A 81 4.380 18.050 32.319 1.00 11.04 N ATOM 1139 CA THR A 81 4.638 18.972 31.221 1.00 43.40 C ATOM 1140 C THR A 81 5.146 18.232 29.989 1.00 22.11 C ATOM 1141 O THR A 81 6.137 17.503 30.056 1.00 14.20 O ATOM 1142 CB THR A 81 5.667 20.047 31.620 1.00 11.32 C ATOM 1143 OG1 THR A 81 5.646 20.242 33.039 1.00 42.34 O ATOM 1144 CG2 THR A 81 5.374 21.364 30.918 1.00 54.33 C ATOM 0 H THR A 81 5.204 17.550 32.652 1.00 11.04 H new ATOM 0 HA THR A 81 3.690 19.456 30.986 1.00 43.40 H new ATOM 0 HB THR A 81 6.655 19.703 31.315 1.00 11.32 H new ATOM 0 HG1 THR A 81 6.304 20.925 33.285 1.00 42.34 H new ATOM 0 HG21 THR A 81 6.114 22.107 31.216 1.00 54.33 H new ATOM 0 HG22 THR A 81 5.419 21.219 29.839 1.00 54.33 H new ATOM 0 HG23 THR A 81 4.379 21.711 31.196 1.00 54.33 H new ATOM 1152 N ILE A 82 4.463 18.424 28.866 1.00 71.52 N ATOM 1153 CA ILE A 82 4.847 17.775 27.618 1.00 20.45 C ATOM 1154 C ILE A 82 5.774 18.665 26.798 1.00 54.40 C ATOM 1155 O ILE A 82 5.499 19.850 26.601 1.00 20.55 O ATOM 1156 CB ILE A 82 3.614 17.414 26.768 1.00 3.34 C ATOM 1157 CG1 ILE A 82 2.667 16.512 27.562 1.00 72.04 C ATOM 1158 CG2 ILE A 82 4.042 16.736 25.476 1.00 63.03 C ATOM 1159 CD1 ILE A 82 1.552 17.265 28.252 1.00 12.44 C ATOM 0 H ILE A 82 3.641 19.024 28.794 1.00 71.52 H new ATOM 0 HA ILE A 82 5.372 16.859 27.888 1.00 20.45 H new ATOM 0 HB ILE A 82 3.084 18.332 26.515 1.00 3.34 H new ATOM 0 HG12 ILE A 82 2.233 15.773 26.889 1.00 72.04 H new ATOM 0 HG13 ILE A 82 3.241 15.964 28.309 1.00 72.04 H new ATOM 0 HG21 ILE A 82 3.160 16.487 24.886 1.00 63.03 H new ATOM 0 HG22 ILE A 82 4.681 17.410 24.906 1.00 63.03 H new ATOM 0 HG23 ILE A 82 4.592 15.824 25.709 1.00 63.03 H new ATOM 0 HD11 ILE A 82 0.920 16.562 28.795 1.00 12.44 H new ATOM 0 HD12 ILE A 82 1.977 17.985 28.951 1.00 12.44 H new ATOM 0 HD13 ILE A 82 0.953 17.791 27.508 1.00 12.44 H new ATOM 1171 N ILE A 83 6.871 18.088 26.320 1.00 34.52 N ATOM 1172 CA ILE A 83 7.836 18.828 25.518 1.00 2.41 C ATOM 1173 C ILE A 83 7.931 18.259 24.107 1.00 72.22 C ATOM 1174 O ILE A 83 8.050 17.048 23.922 1.00 74.01 O ATOM 1175 CB ILE A 83 9.235 18.810 26.162 1.00 21.21 C ATOM 1176 CG1 ILE A 83 9.180 19.406 27.570 1.00 23.01 C ATOM 1177 CG2 ILE A 83 10.227 19.572 25.296 1.00 12.43 C ATOM 1178 CD1 ILE A 83 8.704 20.841 27.600 1.00 11.34 C ATOM 0 H ILE A 83 7.114 17.109 26.475 1.00 34.52 H new ATOM 0 HA ILE A 83 7.481 19.857 25.468 1.00 2.41 H new ATOM 0 HB ILE A 83 9.570 17.776 26.239 1.00 21.21 H new ATOM 0 HG12 ILE A 83 8.518 18.799 28.187 1.00 23.01 H new ATOM 0 HG13 ILE A 83 10.172 19.351 28.018 1.00 23.01 H new ATOM 0 HG21 ILE A 83 11.211 19.550 25.765 1.00 12.43 H new ATOM 0 HG22 ILE A 83 10.283 19.107 24.312 1.00 12.43 H new ATOM 0 HG23 ILE A 83 9.898 20.606 25.190 1.00 12.43 H new ATOM 0 HD11 ILE A 83 8.690 21.198 28.630 1.00 11.34 H new ATOM 0 HD12 ILE A 83 9.379 21.461 27.010 1.00 11.34 H new ATOM 0 HD13 ILE A 83 7.699 20.900 27.182 1.00 11.34 H new ATOM 1190 N ALA A 84 7.879 19.141 23.114 1.00 61.30 N ATOM 1191 CA ALA A 84 7.963 18.726 21.719 1.00 50.30 C ATOM 1192 C ALA A 84 9.230 19.264 21.062 1.00 72.31 C ATOM 1193 O ALA A 84 9.527 20.456 21.145 1.00 64.15 O ATOM 1194 CB ALA A 84 6.732 19.191 20.955 1.00 11.53 C ATOM 0 H ALA A 84 7.779 20.147 23.250 1.00 61.30 H new ATOM 0 HA ALA A 84 8.005 17.637 21.691 1.00 50.30 H new ATOM 0 HB1 ALA A 84 6.808 18.874 19.915 1.00 11.53 H new ATOM 0 HB2 ALA A 84 5.839 18.754 21.403 1.00 11.53 H new ATOM 0 HB3 ALA A 84 6.665 20.278 20.999 1.00 11.53 H new ATOM 1200 N THR A 85 9.974 18.377 20.409 1.00 25.41 N ATOM 1201 CA THR A 85 11.210 18.761 19.739 1.00 4.44 C ATOM 1202 C THR A 85 11.196 18.339 18.275 1.00 45.43 C ATOM 1203 O THR A 85 11.056 17.157 17.961 1.00 43.25 O ATOM 1204 CB THR A 85 12.440 18.141 20.429 1.00 32.41 C ATOM 1205 OG1 THR A 85 12.310 18.247 21.851 1.00 14.12 O ATOM 1206 CG2 THR A 85 13.719 18.830 19.979 1.00 53.32 C ATOM 0 H THR A 85 9.742 17.387 20.330 1.00 25.41 H new ATOM 0 HA THR A 85 11.278 19.847 19.800 1.00 4.44 H new ATOM 0 HB THR A 85 12.495 17.090 20.147 1.00 32.41 H new ATOM 0 HG1 THR A 85 13.095 17.849 22.282 1.00 14.12 H new ATOM 0 HG21 THR A 85 14.573 18.375 20.480 1.00 53.32 H new ATOM 0 HG22 THR A 85 13.831 18.721 18.900 1.00 53.32 H new ATOM 0 HG23 THR A 85 13.671 19.889 20.234 1.00 53.32 H new ATOM 1214 N TYR A 86 11.343 19.312 17.382 1.00 3.33 N ATOM 1215 CA TYR A 86 11.346 19.041 15.950 1.00 51.33 C ATOM 1216 C TYR A 86 12.141 20.103 15.196 1.00 63.21 C ATOM 1217 O TYR A 86 11.748 21.267 15.140 1.00 35.01 O ATOM 1218 CB TYR A 86 9.913 18.988 15.417 1.00 60.21 C ATOM 1219 CG TYR A 86 9.814 18.477 13.997 1.00 34.13 C ATOM 1220 CD1 TYR A 86 10.576 17.395 13.573 1.00 55.34 C ATOM 1221 CD2 TYR A 86 8.959 19.076 13.081 1.00 52.15 C ATOM 1222 CE1 TYR A 86 10.489 16.925 12.276 1.00 14.43 C ATOM 1223 CE2 TYR A 86 8.864 18.612 11.783 1.00 42.11 C ATOM 1224 CZ TYR A 86 9.631 17.537 11.385 1.00 22.25 C ATOM 1225 OH TYR A 86 9.541 17.072 10.093 1.00 10.52 O ATOM 0 H TYR A 86 11.462 20.295 17.625 1.00 3.33 H new ATOM 0 HA TYR A 86 11.823 18.074 15.790 1.00 51.33 H new ATOM 0 HB2 TYR A 86 9.316 18.348 16.067 1.00 60.21 H new ATOM 0 HB3 TYR A 86 9.479 19.987 15.466 1.00 60.21 H new ATOM 0 HD1 TYR A 86 11.247 16.913 14.268 1.00 55.34 H new ATOM 0 HD2 TYR A 86 8.358 19.919 13.389 1.00 52.15 H new ATOM 0 HE1 TYR A 86 11.089 16.084 11.962 1.00 14.43 H new ATOM 0 HE2 TYR A 86 8.193 19.089 11.084 1.00 42.11 H new ATOM 0 HH TYR A 86 8.892 17.612 9.596 1.00 10.52 H new ATOM 1235 N GLY A 87 13.265 19.691 14.616 1.00 74.42 N ATOM 1236 CA GLY A 87 14.099 20.617 13.872 1.00 34.42 C ATOM 1237 C GLY A 87 14.737 21.665 14.762 1.00 61.40 C ATOM 1238 O GLY A 87 15.372 21.335 15.764 1.00 73.01 O ATOM 0 H GLY A 87 13.612 18.733 14.648 1.00 74.42 H new ATOM 0 HA2 GLY A 87 14.880 20.061 13.353 1.00 34.42 H new ATOM 0 HA3 GLY A 87 13.497 21.110 13.109 1.00 34.42 H new ATOM 1242 N SER A 88 14.571 22.931 14.395 1.00 13.30 N ATOM 1243 CA SER A 88 15.141 24.031 15.164 1.00 15.23 C ATOM 1244 C SER A 88 14.072 24.708 16.018 1.00 23.42 C ATOM 1245 O SER A 88 14.326 25.730 16.655 1.00 13.20 O ATOM 1246 CB SER A 88 15.786 25.055 14.229 1.00 52.32 C ATOM 1247 OG SER A 88 17.198 24.941 14.243 1.00 21.34 O ATOM 0 H SER A 88 14.046 23.221 13.570 1.00 13.30 H new ATOM 0 HA SER A 88 15.905 23.622 15.825 1.00 15.23 H new ATOM 0 HB2 SER A 88 15.416 24.909 13.214 1.00 52.32 H new ATOM 0 HB3 SER A 88 15.496 26.061 14.532 1.00 52.32 H new ATOM 0 HG SER A 88 17.586 25.605 13.636 1.00 21.34 H new ATOM 1253 N VAL A 89 12.876 24.129 16.026 1.00 33.30 N ATOM 1254 CA VAL A 89 11.768 24.674 16.802 1.00 71.53 C ATOM 1255 C VAL A 89 11.187 23.624 17.742 1.00 32.31 C ATOM 1256 O VAL A 89 11.112 22.443 17.401 1.00 13.41 O ATOM 1257 CB VAL A 89 10.648 25.203 15.886 1.00 62.42 C ATOM 1258 CG1 VAL A 89 9.488 25.735 16.713 1.00 30.53 C ATOM 1259 CG2 VAL A 89 11.186 26.278 14.954 1.00 62.32 C ATOM 0 H VAL A 89 12.649 23.283 15.504 1.00 33.30 H new ATOM 0 HA VAL A 89 12.169 25.501 17.388 1.00 71.53 H new ATOM 0 HB VAL A 89 10.280 24.377 15.277 1.00 62.42 H new ATOM 0 HG11 VAL A 89 8.707 26.104 16.049 1.00 30.53 H new ATOM 0 HG12 VAL A 89 9.087 24.934 17.335 1.00 30.53 H new ATOM 0 HG13 VAL A 89 9.838 26.548 17.349 1.00 30.53 H new ATOM 0 HG21 VAL A 89 10.382 26.641 14.314 1.00 62.32 H new ATOM 0 HG22 VAL A 89 11.582 27.105 15.543 1.00 62.32 H new ATOM 0 HG23 VAL A 89 11.981 25.860 14.336 1.00 62.32 H new ATOM 1269 N SER A 90 10.776 24.062 18.928 1.00 60.11 N ATOM 1270 CA SER A 90 10.204 23.159 19.920 1.00 10.31 C ATOM 1271 C SER A 90 9.010 23.804 20.617 1.00 54.34 C ATOM 1272 O SER A 90 8.927 25.027 20.727 1.00 73.23 O ATOM 1273 CB SER A 90 11.261 22.768 20.954 1.00 25.11 C ATOM 1274 OG SER A 90 12.282 23.747 21.035 1.00 3.35 O ATOM 0 H SER A 90 10.828 25.036 19.225 1.00 60.11 H new ATOM 0 HA SER A 90 9.861 22.262 19.404 1.00 10.31 H new ATOM 0 HB2 SER A 90 10.792 22.646 21.930 1.00 25.11 H new ATOM 0 HB3 SER A 90 11.697 21.805 20.687 1.00 25.11 H new ATOM 0 HG SER A 90 12.944 23.474 21.704 1.00 3.35 H new ATOM 1280 N GLY A 91 8.085 22.971 21.086 1.00 43.52 N ATOM 1281 CA GLY A 91 6.907 23.478 21.766 1.00 63.53 C ATOM 1282 C GLY A 91 6.705 22.842 23.127 1.00 64.53 C ATOM 1283 O GLY A 91 7.555 22.087 23.599 1.00 52.22 O ATOM 0 H GLY A 91 8.131 21.955 21.007 1.00 43.52 H new ATOM 0 HA2 GLY A 91 6.995 24.558 21.883 1.00 63.53 H new ATOM 0 HA3 GLY A 91 6.028 23.295 21.149 1.00 63.53 H new ATOM 1287 N ASN A 92 5.578 23.148 23.760 1.00 74.21 N ATOM 1288 CA ASN A 92 5.268 22.602 25.076 1.00 12.24 C ATOM 1289 C ASN A 92 3.772 22.687 25.362 1.00 15.32 C ATOM 1290 O ASN A 92 3.097 23.622 24.929 1.00 0.31 O ATOM 1291 CB ASN A 92 6.048 23.351 26.158 1.00 4.14 C ATOM 1292 CG ASN A 92 6.107 24.844 25.900 1.00 13.44 C ATOM 1293 OD1 ASN A 92 7.138 25.375 25.488 1.00 64.51 O ATOM 1294 ND2 ASN A 92 4.996 25.530 26.143 1.00 12.42 N ATOM 0 H ASN A 92 4.864 23.771 23.383 1.00 74.21 H new ATOM 0 HA ASN A 92 5.563 21.553 25.085 1.00 12.24 H new ATOM 0 HB2 ASN A 92 5.583 23.171 27.127 1.00 4.14 H new ATOM 0 HB3 ASN A 92 7.062 22.954 26.212 1.00 4.14 H new ATOM 0 HD21 ASN A 92 4.975 26.538 25.989 1.00 12.42 H new ATOM 0 HD22 ASN A 92 4.164 25.049 26.484 1.00 12.42 H new ATOM 1301 N THR A 93 3.258 21.704 26.095 1.00 13.43 N ATOM 1302 CA THR A 93 1.842 21.667 26.439 1.00 51.10 C ATOM 1303 C THR A 93 1.643 21.369 27.921 1.00 44.43 C ATOM 1304 O THR A 93 2.283 20.475 28.475 1.00 61.13 O ATOM 1305 CB THR A 93 1.090 20.609 25.609 1.00 0.32 C ATOM 1306 OG1 THR A 93 1.078 19.358 26.306 1.00 54.40 O ATOM 1307 CG2 THR A 93 1.739 20.429 24.245 1.00 5.54 C ATOM 0 H THR A 93 3.802 20.923 26.462 1.00 13.43 H new ATOM 0 HA THR A 93 1.436 22.653 26.212 1.00 51.10 H new ATOM 0 HB THR A 93 0.066 20.954 25.464 1.00 0.32 H new ATOM 0 HG1 THR A 93 0.452 18.745 25.867 1.00 54.40 H new ATOM 0 HG21 THR A 93 1.191 19.677 23.677 1.00 5.54 H new ATOM 0 HG22 THR A 93 1.721 21.376 23.705 1.00 5.54 H new ATOM 0 HG23 THR A 93 2.772 20.105 24.373 1.00 5.54 H new ATOM 1315 N ILE A 94 0.753 22.124 28.557 1.00 64.41 N ATOM 1316 CA ILE A 94 0.470 21.938 29.975 1.00 41.34 C ATOM 1317 C ILE A 94 -0.911 21.327 30.184 1.00 60.51 C ATOM 1318 O ILE A 94 -1.908 21.822 29.657 1.00 40.01 O ATOM 1319 CB ILE A 94 0.551 23.270 30.744 1.00 41.13 C ATOM 1320 CG1 ILE A 94 -0.251 24.353 30.018 1.00 22.43 C ATOM 1321 CG2 ILE A 94 2.001 23.699 30.909 1.00 64.00 C ATOM 1322 CD1 ILE A 94 -0.404 25.628 30.817 1.00 51.22 C ATOM 0 H ILE A 94 0.216 22.869 28.113 1.00 64.41 H new ATOM 0 HA ILE A 94 1.228 21.257 30.362 1.00 41.34 H new ATOM 0 HB ILE A 94 0.120 23.127 31.735 1.00 41.13 H new ATOM 0 HG12 ILE A 94 0.238 24.583 29.072 1.00 22.43 H new ATOM 0 HG13 ILE A 94 -1.240 23.963 29.779 1.00 22.43 H new ATOM 0 HG21 ILE A 94 2.042 24.642 31.454 1.00 64.00 H new ATOM 0 HG22 ILE A 94 2.546 22.935 31.464 1.00 64.00 H new ATOM 0 HG23 ILE A 94 2.456 23.828 29.927 1.00 64.00 H new ATOM 0 HD11 ILE A 94 -0.983 26.351 30.242 1.00 51.22 H new ATOM 0 HD12 ILE A 94 -0.921 25.412 31.752 1.00 51.22 H new ATOM 0 HD13 ILE A 94 0.581 26.042 31.034 1.00 51.22 H new ATOM 1334 N LEU A 95 -0.963 20.248 30.958 1.00 70.04 N ATOM 1335 CA LEU A 95 -2.223 19.568 31.239 1.00 2.42 C ATOM 1336 C LEU A 95 -2.375 19.300 32.733 1.00 64.31 C ATOM 1337 O LEU A 95 -1.445 18.826 33.388 1.00 74.03 O ATOM 1338 CB LEU A 95 -2.300 18.253 30.462 1.00 32.03 C ATOM 1339 CG LEU A 95 -3.197 18.256 29.224 1.00 14.41 C ATOM 1340 CD1 LEU A 95 -2.839 19.417 28.309 1.00 72.23 C ATOM 1341 CD2 LEU A 95 -3.085 16.934 28.480 1.00 30.44 C ATOM 0 H LEU A 95 -0.148 19.825 31.402 1.00 70.04 H new ATOM 0 HA LEU A 95 -3.038 20.218 30.921 1.00 2.42 H new ATOM 0 HB2 LEU A 95 -1.292 17.976 30.155 1.00 32.03 H new ATOM 0 HB3 LEU A 95 -2.652 17.474 31.139 1.00 32.03 H new ATOM 0 HG LEU A 95 -4.230 18.380 29.548 1.00 14.41 H new ATOM 0 HD11 LEU A 95 -3.488 19.403 27.433 1.00 72.23 H new ATOM 0 HD12 LEU A 95 -2.972 20.357 28.845 1.00 72.23 H new ATOM 0 HD13 LEU A 95 -1.800 19.324 27.993 1.00 72.23 H new ATOM 0 HD21 LEU A 95 -3.730 16.955 27.602 1.00 30.44 H new ATOM 0 HD22 LEU A 95 -2.052 16.779 28.168 1.00 30.44 H new ATOM 0 HD23 LEU A 95 -3.392 16.120 29.137 1.00 30.44 H new ATOM 1353 N THR A 96 -3.554 19.603 33.267 1.00 44.50 N ATOM 1354 CA THR A 96 -3.828 19.394 34.683 1.00 51.11 C ATOM 1355 C THR A 96 -4.517 18.054 34.917 1.00 1.52 C ATOM 1356 O THR A 96 -5.640 17.835 34.464 1.00 14.02 O ATOM 1357 CB THR A 96 -4.710 20.519 35.257 1.00 40.24 C ATOM 1358 OG1 THR A 96 -4.036 21.777 35.140 1.00 12.32 O ATOM 1359 CG2 THR A 96 -5.047 20.252 36.716 1.00 72.33 C ATOM 0 H THR A 96 -4.335 19.994 32.740 1.00 44.50 H new ATOM 0 HA THR A 96 -2.866 19.400 35.195 1.00 51.11 H new ATOM 0 HB THR A 96 -5.638 20.550 34.687 1.00 40.24 H new ATOM 0 HG1 THR A 96 -4.430 22.419 35.767 1.00 12.32 H new ATOM 0 HG21 THR A 96 -5.670 21.060 37.099 1.00 72.33 H new ATOM 0 HG22 THR A 96 -5.586 19.308 36.798 1.00 72.33 H new ATOM 0 HG23 THR A 96 -4.127 20.197 37.298 1.00 72.33 H new ATOM 1367 N VAL A 97 -3.837 17.161 35.628 1.00 23.23 N ATOM 1368 CA VAL A 97 -4.384 15.842 35.924 1.00 14.55 C ATOM 1369 C VAL A 97 -4.628 15.672 37.420 1.00 60.13 C ATOM 1370 O VAL A 97 -3.739 15.914 38.235 1.00 32.32 O ATOM 1371 CB VAL A 97 -3.446 14.722 35.437 1.00 1.53 C ATOM 1372 CG1 VAL A 97 -3.549 14.557 33.929 1.00 55.32 C ATOM 1373 CG2 VAL A 97 -2.011 15.011 35.853 1.00 15.41 C ATOM 0 H VAL A 97 -2.906 17.327 36.010 1.00 23.23 H new ATOM 0 HA VAL A 97 -5.333 15.766 35.393 1.00 14.55 H new ATOM 0 HB VAL A 97 -3.754 13.786 35.903 1.00 1.53 H new ATOM 0 HG11 VAL A 97 -2.879 13.761 33.603 1.00 55.32 H new ATOM 0 HG12 VAL A 97 -4.574 14.301 33.660 1.00 55.32 H new ATOM 0 HG13 VAL A 97 -3.268 15.490 33.441 1.00 55.32 H new ATOM 0 HG21 VAL A 97 -1.362 14.210 35.501 1.00 15.41 H new ATOM 0 HG22 VAL A 97 -1.689 15.957 35.417 1.00 15.41 H new ATOM 0 HG23 VAL A 97 -1.953 15.074 36.940 1.00 15.41 H new ATOM 1383 N ASN A 98 -5.839 15.253 37.772 1.00 11.04 N ATOM 1384 CA ASN A 98 -6.200 15.050 39.171 1.00 74.34 C ATOM 1385 C ASN A 98 -6.560 13.590 39.433 1.00 51.42 C ATOM 1386 O ASN A 98 -7.248 13.273 40.404 1.00 41.54 O ATOM 1387 CB ASN A 98 -7.375 15.953 39.552 1.00 72.31 C ATOM 1388 CG ASN A 98 -7.488 17.167 38.650 1.00 60.51 C ATOM 1389 OD1 ASN A 98 -8.309 17.198 37.733 1.00 0.41 O ATOM 1390 ND2 ASN A 98 -6.661 18.173 38.907 1.00 43.14 N ATOM 0 H ASN A 98 -6.586 15.048 37.109 1.00 11.04 H new ATOM 0 HA ASN A 98 -5.337 15.309 39.785 1.00 74.34 H new ATOM 0 HB2 ASN A 98 -8.301 15.380 39.503 1.00 72.31 H new ATOM 0 HB3 ASN A 98 -7.258 16.281 40.585 1.00 72.31 H new ATOM 0 HD21 ASN A 98 -6.690 19.016 38.334 1.00 43.14 H new ATOM 0 HD22 ASN A 98 -5.997 18.103 39.678 1.00 43.14 H new ATOM 1397 N LYS A 99 -6.090 12.705 38.561 1.00 42.01 N ATOM 1398 CA LYS A 99 -6.359 11.279 38.697 1.00 30.45 C ATOM 1399 C LYS A 99 -5.659 10.708 39.926 1.00 25.14 C ATOM 1400 O LYS A 99 -4.464 10.409 39.891 1.00 73.11 O ATOM 1401 CB LYS A 99 -5.902 10.530 37.443 1.00 32.03 C ATOM 1402 CG LYS A 99 -6.817 9.381 37.054 1.00 44.54 C ATOM 1403 CD LYS A 99 -6.441 8.100 37.778 1.00 34.50 C ATOM 1404 CE LYS A 99 -7.328 6.939 37.353 1.00 14.32 C ATOM 1405 NZ LYS A 99 -6.544 5.846 36.715 1.00 1.02 N ATOM 0 H LYS A 99 -5.520 12.951 37.752 1.00 42.01 H new ATOM 0 HA LYS A 99 -7.434 11.148 38.819 1.00 30.45 H new ATOM 0 HB2 LYS A 99 -5.841 11.233 36.612 1.00 32.03 H new ATOM 0 HB3 LYS A 99 -4.896 10.143 37.607 1.00 32.03 H new ATOM 0 HG2 LYS A 99 -7.849 9.642 37.287 1.00 44.54 H new ATOM 0 HG3 LYS A 99 -6.764 9.221 35.977 1.00 44.54 H new ATOM 0 HD2 LYS A 99 -5.398 7.857 37.572 1.00 34.50 H new ATOM 0 HD3 LYS A 99 -6.527 8.250 38.854 1.00 34.50 H new ATOM 0 HE2 LYS A 99 -7.855 6.547 38.223 1.00 14.32 H new ATOM 0 HE3 LYS A 99 -8.085 7.297 36.656 1.00 14.32 H new ATOM 0 HZ1 LYS A 99 -7.019 4.936 36.881 1.00 1.02 H new ATOM 0 HZ2 LYS A 99 -6.476 6.019 35.692 1.00 1.02 H new ATOM 0 HZ3 LYS A 99 -5.589 5.818 37.126 1.00 1.02 H new ATOM 1419 N THR A 100 -6.409 10.557 41.013 1.00 0.55 N ATOM 1420 CA THR A 100 -5.860 10.022 42.253 1.00 12.30 C ATOM 1421 C THR A 100 -5.187 8.675 42.020 1.00 73.43 C ATOM 1422 O THR A 100 -4.108 8.409 42.549 1.00 43.25 O ATOM 1423 CB THR A 100 -6.953 9.859 43.327 1.00 64.14 C ATOM 1424 OG1 THR A 100 -7.711 11.068 43.442 1.00 3.22 O ATOM 1425 CG2 THR A 100 -6.339 9.508 44.674 1.00 52.12 C ATOM 0 H THR A 100 -7.399 10.798 41.060 1.00 0.55 H new ATOM 0 HA THR A 100 -5.119 10.739 42.606 1.00 12.30 H new ATOM 0 HB THR A 100 -7.612 9.046 43.023 1.00 64.14 H new ATOM 0 HG1 THR A 100 -8.405 10.956 44.125 1.00 3.22 H new ATOM 0 HG21 THR A 100 -7.129 9.398 45.417 1.00 52.12 H new ATOM 0 HG22 THR A 100 -5.787 8.572 44.590 1.00 52.12 H new ATOM 0 HG23 THR A 100 -5.660 10.303 44.982 1.00 52.12 H new ATOM 1433 N ASP A 101 -5.831 7.827 41.225 1.00 51.13 N ATOM 1434 CA ASP A 101 -5.293 6.506 40.920 1.00 54.33 C ATOM 1435 C ASP A 101 -4.051 6.615 40.041 1.00 22.15 C ATOM 1436 O ASP A 101 -3.886 7.582 39.297 1.00 63.45 O ATOM 1437 CB ASP A 101 -6.352 5.650 40.223 1.00 21.54 C ATOM 1438 CG ASP A 101 -6.491 4.277 40.852 1.00 63.24 C ATOM 1439 OD1 ASP A 101 -7.092 4.182 41.942 1.00 75.35 O ATOM 1440 OD2 ASP A 101 -5.997 3.298 40.254 1.00 62.41 O ATOM 0 H ASP A 101 -6.726 8.031 40.780 1.00 51.13 H new ATOM 0 HA ASP A 101 -5.011 6.029 41.859 1.00 54.33 H new ATOM 0 HB2 ASP A 101 -7.313 6.163 40.261 1.00 21.54 H new ATOM 0 HB3 ASP A 101 -6.091 5.540 39.170 1.00 21.54 H new ATOM 1445 N THR A 102 -3.177 5.617 40.134 1.00 33.05 N ATOM 1446 CA THR A 102 -1.949 5.601 39.351 1.00 44.12 C ATOM 1447 C THR A 102 -1.726 4.238 38.705 1.00 3.33 C ATOM 1448 O THR A 102 -2.546 3.774 37.913 1.00 64.32 O ATOM 1449 CB THR A 102 -0.725 5.952 40.218 1.00 42.33 C ATOM 1450 OG1 THR A 102 0.477 5.791 39.456 1.00 3.34 O ATOM 1451 CG2 THR A 102 -0.668 5.071 41.456 1.00 13.15 C ATOM 0 H THR A 102 -3.298 4.809 40.745 1.00 33.05 H new ATOM 0 HA THR A 102 -2.061 6.355 38.572 1.00 44.12 H new ATOM 0 HB THR A 102 -0.818 6.991 40.535 1.00 42.33 H new ATOM 0 HG1 THR A 102 1.251 6.018 40.013 1.00 3.34 H new ATOM 0 HG21 THR A 102 0.205 5.337 42.052 1.00 13.15 H new ATOM 0 HG22 THR A 102 -1.571 5.217 42.049 1.00 13.15 H new ATOM 0 HG23 THR A 102 -0.597 4.026 41.156 1.00 13.15 H new TER 1459 THR A 102