USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 680 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 24 THR OG1 : rot 180:sc= -0.441 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -2.28 K(o=-2.7,f=-1.7) USER MOD Set 2.1: A 11 SER OG : rot 78:sc= 0.327 USER MOD Set 2.2: A 12 ASN : amide:sc= -2.88! C(o=-2.6!,f=-4!) USER MOD Set 3.1: A 7 ASN : amide:sc= 0 X(o=0,f=0.0056) USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc=-0.00511 X(o=-0.0051,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= -3.89 (180deg=-6.6!) USER MOD Single : A 6 ASN : amide:sc= -3.53! K(o=-3.5!,f=-0.99) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0265) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.215 K(o=-0.21,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.62 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 3:sc= 0.019 USER MOD Single : A 68 ASN : amide:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 69 ASN : amide:sc= -0.0249 K(o=-0.025,f=-0.83) USER MOD Single : A 71 SER OG : rot 67:sc= -0.825 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 28:sc= 1.04 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -1.75! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -103:sc= 1.16 (180deg=-0.0263) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= -2.52! (180deg=-2.54!) USER MOD Single : A 100 GLN : amide:sc= -4.13 X(o=-4.1,f=-4.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.020 -1.102 -0.677 1.00 21.31 N ATOM 9 CA ASN A 2 4.954 -2.168 -1.021 1.00 72.45 C ATOM 10 C ASN A 2 6.080 -2.258 0.004 1.00 34.03 C ATOM 11 O ASN A 2 6.082 -1.539 1.004 1.00 44.15 O ATOM 12 CB ASN A 2 5.537 -1.933 -2.416 1.00 41.22 C ATOM 13 CG ASN A 2 4.526 -2.190 -3.517 1.00 11.23 C ATOM 14 OD1 ASN A 2 4.096 -1.266 -4.208 1.00 35.24 O ATOM 15 ND2 ASN A 2 4.142 -3.450 -3.684 1.00 54.14 N ATOM 0 HA ASN A 2 4.407 -3.111 -1.017 1.00 72.45 H new ATOM 0 HB2 ASN A 2 5.896 -0.906 -2.488 1.00 41.22 H new ATOM 0 HB3 ASN A 2 6.400 -2.583 -2.560 1.00 41.22 H new ATOM 0 HD21 ASN A 2 3.464 -3.685 -4.409 1.00 54.14 H new ATOM 0 HD22 ASN A 2 4.525 -4.183 -3.088 1.00 54.14 H new ATOM 22 N VAL A 3 7.036 -3.146 -0.250 1.00 54.13 N ATOM 23 CA VAL A 3 8.168 -3.329 0.649 1.00 3.13 C ATOM 24 C VAL A 3 9.490 -3.130 -0.084 1.00 1.43 C ATOM 25 O VAL A 3 9.889 -3.957 -0.904 1.00 74.43 O ATOM 26 CB VAL A 3 8.155 -4.729 1.290 1.00 23.42 C ATOM 27 CG1 VAL A 3 7.126 -4.796 2.408 1.00 2.33 C ATOM 28 CG2 VAL A 3 7.881 -5.794 0.238 1.00 2.34 C ATOM 0 H VAL A 3 7.048 -3.750 -1.072 1.00 54.13 H new ATOM 0 HA VAL A 3 8.074 -2.578 1.433 1.00 3.13 H new ATOM 0 HB VAL A 3 9.137 -4.921 1.721 1.00 23.42 H new ATOM 0 HG11 VAL A 3 7.132 -5.793 2.849 1.00 2.33 H new ATOM 0 HG12 VAL A 3 7.372 -4.060 3.173 1.00 2.33 H new ATOM 0 HG13 VAL A 3 6.136 -4.583 2.005 1.00 2.33 H new ATOM 0 HG21 VAL A 3 7.875 -6.777 0.708 1.00 2.34 H new ATOM 0 HG22 VAL A 3 6.912 -5.608 -0.225 1.00 2.34 H new ATOM 0 HG23 VAL A 3 8.659 -5.761 -0.524 1.00 2.34 H new ATOM 38 N LEU A 4 10.167 -2.027 0.218 1.00 53.14 N ATOM 39 CA LEU A 4 11.446 -1.718 -0.412 1.00 52.03 C ATOM 40 C LEU A 4 12.483 -1.315 0.631 1.00 63.52 C ATOM 41 O LEU A 4 12.146 -0.760 1.677 1.00 74.35 O ATOM 42 CB LEU A 4 11.274 -0.595 -1.437 1.00 60.30 C ATOM 43 CG LEU A 4 10.354 0.554 -1.025 1.00 40.51 C ATOM 44 CD1 LEU A 4 11.048 1.892 -1.228 1.00 1.41 C ATOM 45 CD2 LEU A 4 9.052 0.503 -1.810 1.00 75.24 C ATOM 0 H LEU A 4 9.852 -1.332 0.895 1.00 53.14 H new ATOM 0 HA LEU A 4 11.799 -2.615 -0.921 1.00 52.03 H new ATOM 0 HB2 LEU A 4 12.257 -0.183 -1.663 1.00 60.30 H new ATOM 0 HB3 LEU A 4 10.890 -1.029 -2.360 1.00 60.30 H new ATOM 0 HG LEU A 4 10.121 0.445 0.034 1.00 40.51 H new ATOM 0 HD11 LEU A 4 10.378 2.698 -0.930 1.00 1.41 H new ATOM 0 HD12 LEU A 4 11.953 1.928 -0.621 1.00 1.41 H new ATOM 0 HD13 LEU A 4 11.311 2.010 -2.279 1.00 1.41 H new ATOM 0 HD21 LEU A 4 8.410 1.328 -1.503 1.00 75.24 H new ATOM 0 HD22 LEU A 4 9.266 0.586 -2.876 1.00 75.24 H new ATOM 0 HD23 LEU A 4 8.546 -0.442 -1.614 1.00 75.24 H new ATOM 57 N LYS A 5 13.749 -1.597 0.339 1.00 75.24 N ATOM 58 CA LYS A 5 14.837 -1.262 1.249 1.00 63.04 C ATOM 59 C LYS A 5 16.154 -1.119 0.492 1.00 1.21 C ATOM 60 O LYS A 5 16.614 -0.008 0.233 1.00 53.44 O ATOM 61 CB LYS A 5 14.973 -2.335 2.331 1.00 1.04 C ATOM 62 CG LYS A 5 15.726 -1.864 3.564 1.00 52.34 C ATOM 63 CD LYS A 5 14.954 -0.789 4.311 1.00 4.11 C ATOM 64 CE LYS A 5 13.548 -1.252 4.659 1.00 22.33 C ATOM 65 NZ LYS A 5 13.519 -2.688 5.055 1.00 43.31 N ATOM 0 H LYS A 5 14.046 -2.057 -0.522 1.00 75.24 H new ATOM 0 HA LYS A 5 14.603 -0.307 1.720 1.00 63.04 H new ATOM 0 HB2 LYS A 5 13.978 -2.668 2.628 1.00 1.04 H new ATOM 0 HB3 LYS A 5 15.486 -3.200 1.911 1.00 1.04 H new ATOM 0 HG2 LYS A 5 15.907 -2.710 4.227 1.00 52.34 H new ATOM 0 HG3 LYS A 5 16.701 -1.475 3.270 1.00 52.34 H new ATOM 0 HD2 LYS A 5 15.487 -0.525 5.224 1.00 4.11 H new ATOM 0 HD3 LYS A 5 14.901 0.113 3.701 1.00 4.11 H new ATOM 0 HE2 LYS A 5 13.156 -0.643 5.473 1.00 22.33 H new ATOM 0 HE3 LYS A 5 12.892 -1.098 3.802 1.00 22.33 H new ATOM 0 HZ1 LYS A 5 12.791 -2.832 5.784 1.00 43.31 H new ATOM 0 HZ2 LYS A 5 13.298 -3.273 4.224 1.00 43.31 H new ATOM 0 HZ3 LYS A 5 14.448 -2.962 5.434 1.00 43.31 H new ATOM 79 N ASN A 6 16.755 -2.251 0.140 1.00 42.30 N ATOM 80 CA ASN A 6 18.019 -2.251 -0.588 1.00 10.50 C ATOM 81 C ASN A 6 17.840 -1.670 -1.988 1.00 24.33 C ATOM 82 O ASN A 6 16.731 -1.631 -2.517 1.00 53.41 O ATOM 83 CB ASN A 6 18.578 -3.672 -0.680 1.00 44.44 C ATOM 84 CG ASN A 6 20.061 -3.690 -0.999 1.00 51.24 C ATOM 85 OD1 ASN A 6 20.501 -4.379 -1.920 1.00 13.21 O ATOM 86 ND2 ASN A 6 20.839 -2.930 -0.237 1.00 62.23 N ATOM 0 H ASN A 6 16.387 -3.180 0.347 1.00 42.30 H new ATOM 0 HA ASN A 6 18.725 -1.625 -0.042 1.00 10.50 H new ATOM 0 HB2 ASN A 6 18.406 -4.189 0.264 1.00 44.44 H new ATOM 0 HB3 ASN A 6 18.037 -4.223 -1.449 1.00 44.44 H new ATOM 0 HD21 ASN A 6 21.845 -2.901 -0.404 1.00 62.23 H new ATOM 0 HD22 ASN A 6 20.431 -2.375 0.515 1.00 62.23 H new ATOM 93 N ASN A 7 18.942 -1.222 -2.581 1.00 52.23 N ATOM 94 CA ASN A 7 18.907 -0.644 -3.920 1.00 2.42 C ATOM 95 C ASN A 7 18.662 0.861 -3.856 1.00 65.02 C ATOM 96 O ASN A 7 19.554 1.660 -4.147 1.00 32.35 O ATOM 97 CB ASN A 7 17.818 -1.314 -4.759 1.00 51.25 C ATOM 98 CG ASN A 7 18.143 -1.306 -6.241 1.00 12.13 C ATOM 99 OD1 ASN A 7 17.740 -0.401 -6.971 1.00 53.42 O ATOM 100 ND2 ASN A 7 18.875 -2.318 -6.691 1.00 42.00 N ATOM 0 H ASN A 7 19.869 -1.248 -2.156 1.00 52.23 H new ATOM 0 HA ASN A 7 19.875 -0.817 -4.389 1.00 2.42 H new ATOM 0 HB2 ASN A 7 17.687 -2.343 -4.424 1.00 51.25 H new ATOM 0 HB3 ASN A 7 16.870 -0.802 -4.595 1.00 51.25 H new ATOM 0 HD21 ASN A 7 19.125 -2.367 -7.679 1.00 42.00 H new ATOM 0 HD22 ASN A 7 19.187 -3.047 -6.049 1.00 42.00 H new ATOM 107 N THR A 8 17.447 1.242 -3.474 1.00 25.13 N ATOM 108 CA THR A 8 17.084 2.650 -3.372 1.00 64.32 C ATOM 109 C THR A 8 16.362 2.938 -2.061 1.00 50.02 C ATOM 110 O THR A 8 15.288 2.403 -1.786 1.00 20.14 O ATOM 111 CB THR A 8 16.187 3.084 -4.546 1.00 50.42 C ATOM 112 OG1 THR A 8 16.682 2.534 -5.772 1.00 23.34 O ATOM 113 CG2 THR A 8 16.131 4.601 -4.652 1.00 21.11 C ATOM 0 H THR A 8 16.697 0.595 -3.230 1.00 25.13 H new ATOM 0 HA THR A 8 18.013 3.220 -3.404 1.00 64.32 H new ATOM 0 HB THR A 8 15.180 2.710 -4.361 1.00 50.42 H new ATOM 0 HG1 THR A 8 16.105 2.814 -6.513 1.00 23.34 H new ATOM 0 HG21 THR A 8 15.492 4.884 -5.488 1.00 21.11 H new ATOM 0 HG22 THR A 8 15.726 5.016 -3.729 1.00 21.11 H new ATOM 0 HG23 THR A 8 17.135 4.992 -4.815 1.00 21.11 H new ATOM 121 N PRO A 9 16.962 3.805 -1.232 1.00 24.40 N ATOM 122 CA PRO A 9 16.392 4.185 0.064 1.00 24.40 C ATOM 123 C PRO A 9 15.140 5.042 -0.083 1.00 32.24 C ATOM 124 O PRO A 9 14.946 5.706 -1.101 1.00 14.23 O ATOM 125 CB PRO A 9 17.516 4.988 0.724 1.00 51.12 C ATOM 126 CG PRO A 9 18.318 5.521 -0.413 1.00 24.23 C ATOM 127 CD PRO A 9 18.244 4.481 -1.496 1.00 32.51 C ATOM 0 HA PRO A 9 16.075 3.316 0.641 1.00 24.40 H new ATOM 0 HB2 PRO A 9 17.118 5.794 1.340 1.00 51.12 H new ATOM 0 HB3 PRO A 9 18.122 4.359 1.376 1.00 51.12 H new ATOM 0 HG2 PRO A 9 17.918 6.474 -0.759 1.00 24.23 H new ATOM 0 HG3 PRO A 9 19.351 5.699 -0.113 1.00 24.23 H new ATOM 0 HD2 PRO A 9 18.264 4.932 -2.488 1.00 32.51 H new ATOM 0 HD3 PRO A 9 19.083 3.787 -1.445 1.00 32.51 H new ATOM 135 N VAL A 10 14.292 5.023 0.941 1.00 20.21 N ATOM 136 CA VAL A 10 13.058 5.800 0.927 1.00 64.33 C ATOM 137 C VAL A 10 13.338 7.279 1.168 1.00 73.11 C ATOM 138 O VAL A 10 13.749 7.674 2.259 1.00 61.42 O ATOM 139 CB VAL A 10 12.065 5.296 1.991 1.00 63.13 C ATOM 140 CG1 VAL A 10 10.711 5.967 1.818 1.00 62.23 C ATOM 141 CG2 VAL A 10 11.932 3.782 1.920 1.00 3.14 C ATOM 0 H VAL A 10 14.437 4.478 1.791 1.00 20.21 H new ATOM 0 HA VAL A 10 12.615 5.673 -0.061 1.00 64.33 H new ATOM 0 HB VAL A 10 12.450 5.558 2.976 1.00 63.13 H new ATOM 0 HG11 VAL A 10 10.023 5.599 2.578 1.00 62.23 H new ATOM 0 HG12 VAL A 10 10.824 7.046 1.923 1.00 62.23 H new ATOM 0 HG13 VAL A 10 10.315 5.738 0.829 1.00 62.23 H new ATOM 0 HG21 VAL A 10 11.227 3.443 2.679 1.00 3.14 H new ATOM 0 HG22 VAL A 10 11.570 3.494 0.933 1.00 3.14 H new ATOM 0 HG23 VAL A 10 12.904 3.323 2.097 1.00 3.14 H new ATOM 151 N SER A 11 13.111 8.093 0.142 1.00 12.32 N ATOM 152 CA SER A 11 13.341 9.530 0.241 1.00 21.23 C ATOM 153 C SER A 11 12.156 10.226 0.903 1.00 34.31 C ATOM 154 O SER A 11 11.068 9.660 1.004 1.00 14.53 O ATOM 155 CB SER A 11 13.587 10.125 -1.146 1.00 53.24 C ATOM 156 OG SER A 11 12.647 9.634 -2.086 1.00 34.21 O ATOM 0 H SER A 11 12.768 7.782 -0.767 1.00 12.32 H new ATOM 0 HA SER A 11 14.225 9.690 0.859 1.00 21.23 H new ATOM 0 HB2 SER A 11 13.522 11.212 -1.096 1.00 53.24 H new ATOM 0 HB3 SER A 11 14.597 9.881 -1.476 1.00 53.24 H new ATOM 0 HG SER A 11 11.791 10.096 -1.964 1.00 34.21 H new ATOM 162 N ASN A 12 12.376 11.457 1.352 1.00 12.04 N ATOM 163 CA ASN A 12 11.327 12.231 2.006 1.00 54.35 C ATOM 164 C ASN A 12 10.491 11.347 2.926 1.00 75.03 C ATOM 165 O ASN A 12 9.271 11.255 2.777 1.00 2.12 O ATOM 166 CB ASN A 12 10.427 12.893 0.960 1.00 13.41 C ATOM 167 CG ASN A 12 9.908 11.904 -0.066 1.00 11.42 C ATOM 168 OD1 ASN A 12 10.612 11.546 -1.010 1.00 55.45 O ATOM 169 ND2 ASN A 12 8.670 11.458 0.116 1.00 45.01 N ATOM 0 H ASN A 12 13.271 11.940 1.275 1.00 12.04 H new ATOM 0 HA ASN A 12 11.803 13.004 2.609 1.00 54.35 H new ATOM 0 HB2 ASN A 12 9.584 13.370 1.460 1.00 13.41 H new ATOM 0 HB3 ASN A 12 10.984 13.681 0.452 1.00 13.41 H new ATOM 0 HD21 ASN A 12 8.266 10.791 -0.542 1.00 45.01 H new ATOM 0 HD22 ASN A 12 8.123 11.783 0.913 1.00 45.01 H new ATOM 176 N LEU A 13 11.154 10.698 3.877 1.00 52.45 N ATOM 177 CA LEU A 13 10.472 9.821 4.822 1.00 5.34 C ATOM 178 C LEU A 13 9.395 10.580 5.590 1.00 10.40 C ATOM 179 O LEU A 13 9.109 11.742 5.296 1.00 34.51 O ATOM 180 CB LEU A 13 11.479 9.213 5.801 1.00 41.34 C ATOM 181 CG LEU A 13 11.313 7.722 6.094 1.00 30.13 C ATOM 182 CD1 LEU A 13 11.329 6.919 4.803 1.00 31.41 C ATOM 183 CD2 LEU A 13 12.405 7.239 7.038 1.00 13.43 C ATOM 0 H LEU A 13 12.163 10.763 4.014 1.00 52.45 H new ATOM 0 HA LEU A 13 9.994 9.021 4.257 1.00 5.34 H new ATOM 0 HB2 LEU A 13 12.482 9.376 5.407 1.00 41.34 H new ATOM 0 HB3 LEU A 13 11.414 9.757 6.743 1.00 41.34 H new ATOM 0 HG LEU A 13 10.348 7.572 6.579 1.00 30.13 H new ATOM 0 HD11 LEU A 13 11.210 5.860 5.032 1.00 31.41 H new ATOM 0 HD12 LEU A 13 10.511 7.246 4.161 1.00 31.41 H new ATOM 0 HD13 LEU A 13 12.278 7.075 4.290 1.00 31.41 H new ATOM 0 HD21 LEU A 13 12.271 6.175 7.235 1.00 13.43 H new ATOM 0 HD22 LEU A 13 13.380 7.403 6.580 1.00 13.43 H new ATOM 0 HD23 LEU A 13 12.347 7.792 7.975 1.00 13.43 H new ATOM 195 N THR A 14 8.801 9.918 6.578 1.00 60.43 N ATOM 196 CA THR A 14 7.756 10.529 7.389 1.00 41.53 C ATOM 197 C THR A 14 7.821 10.039 8.831 1.00 44.33 C ATOM 198 O THR A 14 8.050 8.858 9.085 1.00 22.41 O ATOM 199 CB THR A 14 6.356 10.231 6.820 1.00 61.12 C ATOM 200 OG1 THR A 14 6.275 8.861 6.411 1.00 24.23 O ATOM 201 CG2 THR A 14 6.048 11.137 5.637 1.00 30.04 C ATOM 0 H THR A 14 9.027 8.957 6.836 1.00 60.43 H new ATOM 0 HA THR A 14 7.928 11.605 7.366 1.00 41.53 H new ATOM 0 HB THR A 14 5.622 10.420 7.603 1.00 61.12 H new ATOM 0 HG1 THR A 14 5.381 8.679 6.052 1.00 24.23 H new ATOM 0 HG21 THR A 14 5.054 10.908 5.252 1.00 30.04 H new ATOM 0 HG22 THR A 14 6.082 12.178 5.958 1.00 30.04 H new ATOM 0 HG23 THR A 14 6.787 10.975 4.852 1.00 30.04 H new ATOM 209 N GLY A 15 7.618 10.956 9.772 1.00 31.34 N ATOM 210 CA GLY A 15 7.657 10.596 11.178 1.00 44.41 C ATOM 211 C GLY A 15 6.613 11.332 11.994 1.00 50.01 C ATOM 212 O GLY A 15 6.948 12.138 12.861 1.00 32.32 O ATOM 0 H GLY A 15 7.427 11.941 9.586 1.00 31.34 H new ATOM 0 HA2 GLY A 15 7.502 9.522 11.279 1.00 44.41 H new ATOM 0 HA3 GLY A 15 8.647 10.814 11.578 1.00 44.41 H new ATOM 216 N ASN A 16 5.343 11.056 11.714 1.00 23.45 N ATOM 217 CA ASN A 16 4.246 11.699 12.428 1.00 41.21 C ATOM 218 C ASN A 16 4.079 11.102 13.822 1.00 42.02 C ATOM 219 O ASN A 16 4.461 9.958 14.069 1.00 3.15 O ATOM 220 CB ASN A 16 2.943 11.554 11.639 1.00 10.43 C ATOM 221 CG ASN A 16 2.701 12.723 10.703 1.00 32.42 C ATOM 222 OD1 ASN A 16 2.109 13.730 11.090 1.00 14.12 O ATOM 223 ND2 ASN A 16 3.159 12.592 9.464 1.00 51.04 N ATOM 0 H ASN A 16 5.049 10.392 10.998 1.00 23.45 H new ATOM 0 HA ASN A 16 4.484 12.757 12.533 1.00 41.21 H new ATOM 0 HB2 ASN A 16 2.972 10.630 11.062 1.00 10.43 H new ATOM 0 HB3 ASN A 16 2.108 11.470 12.334 1.00 10.43 H new ATOM 0 HD21 ASN A 16 3.026 13.345 8.789 1.00 51.04 H new ATOM 0 HD22 ASN A 16 3.644 11.739 9.187 1.00 51.04 H new ATOM 230 N LYS A 17 3.505 11.884 14.730 1.00 41.24 N ATOM 231 CA LYS A 17 3.285 11.434 16.099 1.00 73.12 C ATOM 232 C LYS A 17 2.580 10.081 16.120 1.00 41.20 C ATOM 233 O LYS A 17 2.786 9.277 17.028 1.00 11.32 O ATOM 234 CB LYS A 17 2.456 12.464 16.869 1.00 3.44 C ATOM 235 CG LYS A 17 3.233 13.717 17.236 1.00 14.32 C ATOM 236 CD LYS A 17 2.964 14.847 16.256 1.00 62.22 C ATOM 237 CE LYS A 17 2.295 16.030 16.938 1.00 31.13 C ATOM 238 NZ LYS A 17 0.944 15.679 17.458 1.00 3.12 N ATOM 0 H LYS A 17 3.183 12.834 14.542 1.00 41.24 H new ATOM 0 HA LYS A 17 4.257 11.326 16.580 1.00 73.12 H new ATOM 0 HB2 LYS A 17 1.592 12.745 16.268 1.00 3.44 H new ATOM 0 HB3 LYS A 17 2.074 12.003 17.780 1.00 3.44 H new ATOM 0 HG2 LYS A 17 2.960 14.034 18.242 1.00 14.32 H new ATOM 0 HG3 LYS A 17 4.300 13.493 17.251 1.00 14.32 H new ATOM 0 HD2 LYS A 17 3.902 15.169 15.804 1.00 62.22 H new ATOM 0 HD3 LYS A 17 2.329 14.485 15.447 1.00 62.22 H new ATOM 0 HE2 LYS A 17 2.921 16.377 17.760 1.00 31.13 H new ATOM 0 HE3 LYS A 17 2.209 16.856 16.231 1.00 31.13 H new ATOM 0 HZ1 LYS A 17 0.441 16.547 17.730 1.00 3.12 H new ATOM 0 HZ2 LYS A 17 0.405 15.184 16.719 1.00 3.12 H new ATOM 0 HZ3 LYS A 17 1.042 15.060 18.288 1.00 3.12 H new ATOM 252 N GLY A 18 1.749 9.836 15.112 1.00 54.03 N ATOM 253 CA GLY A 18 1.028 8.579 15.034 1.00 73.04 C ATOM 254 C GLY A 18 1.371 7.790 13.785 1.00 12.43 C ATOM 255 O GLY A 18 1.783 6.634 13.868 1.00 61.55 O ATOM 0 H GLY A 18 1.562 10.485 14.348 1.00 54.03 H new ATOM 0 HA2 GLY A 18 1.256 7.978 15.914 1.00 73.04 H new ATOM 0 HA3 GLY A 18 -0.044 8.777 15.052 1.00 73.04 H new ATOM 259 N SER A 19 1.199 8.417 12.626 1.00 71.24 N ATOM 260 CA SER A 19 1.488 7.764 11.354 1.00 0.11 C ATOM 261 C SER A 19 2.872 7.122 11.375 1.00 11.24 C ATOM 262 O SER A 19 3.836 7.718 11.854 1.00 63.10 O ATOM 263 CB SER A 19 1.399 8.773 10.207 1.00 33.51 C ATOM 264 OG SER A 19 0.385 8.409 9.286 1.00 15.35 O ATOM 0 H SER A 19 0.861 9.376 12.541 1.00 71.24 H new ATOM 0 HA SER A 19 0.746 6.981 11.199 1.00 0.11 H new ATOM 0 HB2 SER A 19 1.192 9.766 10.607 1.00 33.51 H new ATOM 0 HB3 SER A 19 2.358 8.830 9.693 1.00 33.51 H new ATOM 0 HG SER A 19 0.347 9.070 8.563 1.00 15.35 H new ATOM 270 N GLU A 20 2.960 5.903 10.853 1.00 71.11 N ATOM 271 CA GLU A 20 4.225 5.179 10.813 1.00 43.34 C ATOM 272 C GLU A 20 4.430 4.516 9.454 1.00 52.14 C ATOM 273 O GLU A 20 3.518 4.472 8.628 1.00 15.30 O ATOM 274 CB GLU A 20 4.270 4.124 11.919 1.00 21.24 C ATOM 275 CG GLU A 20 3.986 4.681 13.304 1.00 53.20 C ATOM 276 CD GLU A 20 2.788 4.024 13.963 1.00 43.23 C ATOM 277 OE1 GLU A 20 1.714 3.977 13.327 1.00 1.13 O ATOM 278 OE2 GLU A 20 2.925 3.558 15.113 1.00 71.21 O ATOM 0 H GLU A 20 2.171 5.396 10.452 1.00 71.11 H new ATOM 0 HA GLU A 20 5.030 5.897 10.973 1.00 43.34 H new ATOM 0 HB2 GLU A 20 3.543 3.343 11.695 1.00 21.24 H new ATOM 0 HB3 GLU A 20 5.253 3.653 11.921 1.00 21.24 H new ATOM 0 HG2 GLU A 20 4.864 4.542 13.934 1.00 53.20 H new ATOM 0 HG3 GLU A 20 3.812 5.755 13.231 1.00 53.20 H new ATOM 285 N VAL A 21 5.634 4.001 9.228 1.00 4.31 N ATOM 286 CA VAL A 21 5.960 3.340 7.970 1.00 31.33 C ATOM 287 C VAL A 21 6.824 2.106 8.206 1.00 41.12 C ATOM 288 O VAL A 21 7.717 2.113 9.053 1.00 3.01 O ATOM 289 CB VAL A 21 6.695 4.292 7.009 1.00 3.30 C ATOM 290 CG1 VAL A 21 5.917 4.447 5.711 1.00 23.12 C ATOM 291 CG2 VAL A 21 6.922 5.644 7.669 1.00 54.22 C ATOM 0 H VAL A 21 6.401 4.029 9.900 1.00 4.31 H new ATOM 0 HA VAL A 21 5.016 3.038 7.517 1.00 31.33 H new ATOM 0 HB VAL A 21 7.668 3.861 6.772 1.00 3.30 H new ATOM 0 HG11 VAL A 21 6.452 5.123 5.045 1.00 23.12 H new ATOM 0 HG12 VAL A 21 5.811 3.474 5.232 1.00 23.12 H new ATOM 0 HG13 VAL A 21 4.929 4.855 5.925 1.00 23.12 H new ATOM 0 HG21 VAL A 21 7.443 6.305 6.976 1.00 54.22 H new ATOM 0 HG22 VAL A 21 5.961 6.084 7.937 1.00 54.22 H new ATOM 0 HG23 VAL A 21 7.525 5.514 8.568 1.00 54.22 H new ATOM 301 N PHE A 22 6.553 1.047 7.450 1.00 53.31 N ATOM 302 CA PHE A 22 7.305 -0.195 7.576 1.00 23.42 C ATOM 303 C PHE A 22 7.621 -0.782 6.203 1.00 2.24 C ATOM 304 O PHE A 22 6.876 -0.581 5.244 1.00 21.00 O ATOM 305 CB PHE A 22 6.519 -1.210 8.408 1.00 32.42 C ATOM 306 CG PHE A 22 5.059 -1.268 8.060 1.00 31.21 C ATOM 307 CD1 PHE A 22 4.153 -0.418 8.673 1.00 53.22 C ATOM 308 CD2 PHE A 22 4.593 -2.173 7.120 1.00 34.43 C ATOM 309 CE1 PHE A 22 2.809 -0.468 8.354 1.00 34.14 C ATOM 310 CE2 PHE A 22 3.250 -2.228 6.798 1.00 52.04 C ATOM 311 CZ PHE A 22 2.357 -1.375 7.416 1.00 34.23 C ATOM 0 H PHE A 22 5.818 1.025 6.743 1.00 53.31 H new ATOM 0 HA PHE A 22 8.245 0.029 8.081 1.00 23.42 H new ATOM 0 HB2 PHE A 22 6.957 -2.198 8.269 1.00 32.42 H new ATOM 0 HB3 PHE A 22 6.623 -0.961 9.464 1.00 32.42 H new ATOM 0 HD1 PHE A 22 4.501 0.292 9.409 1.00 53.22 H new ATOM 0 HD2 PHE A 22 5.287 -2.843 6.634 1.00 34.43 H new ATOM 0 HE1 PHE A 22 2.113 0.202 8.838 1.00 34.14 H new ATOM 0 HE2 PHE A 22 2.899 -2.938 6.063 1.00 52.04 H new ATOM 0 HZ PHE A 22 1.307 -1.417 7.166 1.00 34.23 H new ATOM 321 N TYR A 23 8.731 -1.507 6.118 1.00 51.22 N ATOM 322 CA TYR A 23 9.148 -2.120 4.863 1.00 62.43 C ATOM 323 C TYR A 23 9.846 -3.454 5.113 1.00 11.35 C ATOM 324 O TYR A 23 10.243 -3.759 6.238 1.00 23.04 O ATOM 325 CB TYR A 23 10.080 -1.180 4.096 1.00 24.44 C ATOM 326 CG TYR A 23 9.585 0.247 4.036 1.00 23.03 C ATOM 327 CD1 TYR A 23 8.547 0.608 3.187 1.00 60.04 C ATOM 328 CD2 TYR A 23 10.155 1.235 4.830 1.00 25.42 C ATOM 329 CE1 TYR A 23 8.092 1.911 3.128 1.00 2.00 C ATOM 330 CE2 TYR A 23 9.706 2.540 4.779 1.00 21.03 C ATOM 331 CZ TYR A 23 8.675 2.873 3.926 1.00 13.33 C ATOM 332 OH TYR A 23 8.223 4.172 3.872 1.00 45.11 O ATOM 0 H TYR A 23 9.358 -1.684 6.903 1.00 51.22 H new ATOM 0 HA TYR A 23 8.256 -2.304 4.265 1.00 62.43 H new ATOM 0 HB2 TYR A 23 11.064 -1.195 4.565 1.00 24.44 H new ATOM 0 HB3 TYR A 23 10.205 -1.555 3.080 1.00 24.44 H new ATOM 0 HD1 TYR A 23 8.087 -0.143 2.562 1.00 60.04 H new ATOM 0 HD2 TYR A 23 10.963 0.978 5.499 1.00 25.42 H new ATOM 0 HE1 TYR A 23 7.285 2.175 2.461 1.00 2.00 H new ATOM 0 HE2 TYR A 23 10.160 3.295 5.404 1.00 21.03 H new ATOM 0 HH TYR A 23 8.738 4.724 4.497 1.00 45.11 H new ATOM 342 N THR A 24 9.993 -4.246 4.056 1.00 55.32 N ATOM 343 CA THR A 24 10.641 -5.547 4.159 1.00 3.41 C ATOM 344 C THR A 24 11.535 -5.813 2.953 1.00 53.21 C ATOM 345 O THR A 24 11.168 -5.509 1.817 1.00 23.44 O ATOM 346 CB THR A 24 9.607 -6.682 4.278 1.00 24.25 C ATOM 347 OG1 THR A 24 8.699 -6.407 5.351 1.00 24.20 O ATOM 348 CG2 THR A 24 10.295 -8.017 4.519 1.00 25.34 C ATOM 0 H THR A 24 9.671 -4.009 3.118 1.00 55.32 H new ATOM 0 HA THR A 24 11.251 -5.526 5.062 1.00 3.41 H new ATOM 0 HB THR A 24 9.054 -6.740 3.340 1.00 24.25 H new ATOM 0 HG1 THR A 24 8.044 -7.133 5.420 1.00 24.20 H new ATOM 0 HG21 THR A 24 9.545 -8.804 4.600 1.00 25.34 H new ATOM 0 HG22 THR A 24 10.964 -8.237 3.687 1.00 25.34 H new ATOM 0 HG23 THR A 24 10.870 -7.968 5.443 1.00 25.34 H new ATOM 356 N PHE A 25 12.708 -6.382 3.206 1.00 24.20 N ATOM 357 CA PHE A 25 13.655 -6.689 2.140 1.00 71.30 C ATOM 358 C PHE A 25 14.663 -7.741 2.594 1.00 72.22 C ATOM 359 O PHE A 25 14.818 -7.995 3.789 1.00 61.01 O ATOM 360 CB PHE A 25 14.388 -5.421 1.699 1.00 41.20 C ATOM 361 CG PHE A 25 14.627 -5.351 0.218 1.00 40.22 C ATOM 362 CD1 PHE A 25 13.671 -4.811 -0.627 1.00 13.31 C ATOM 363 CD2 PHE A 25 15.808 -5.826 -0.330 1.00 12.30 C ATOM 364 CE1 PHE A 25 13.888 -4.744 -1.990 1.00 74.34 C ATOM 365 CE2 PHE A 25 16.030 -5.762 -1.693 1.00 4.35 C ATOM 366 CZ PHE A 25 15.069 -5.222 -2.524 1.00 13.51 C ATOM 0 H PHE A 25 13.026 -6.640 4.140 1.00 24.20 H new ATOM 0 HA PHE A 25 13.095 -7.089 1.295 1.00 71.30 H new ATOM 0 HB2 PHE A 25 13.809 -4.550 2.007 1.00 41.20 H new ATOM 0 HB3 PHE A 25 15.346 -5.366 2.216 1.00 41.20 H new ATOM 0 HD1 PHE A 25 12.745 -4.438 -0.215 1.00 13.31 H new ATOM 0 HD2 PHE A 25 16.563 -6.251 0.315 1.00 12.30 H new ATOM 0 HE1 PHE A 25 13.135 -4.318 -2.637 1.00 74.34 H new ATOM 0 HE2 PHE A 25 16.955 -6.134 -2.108 1.00 4.35 H new ATOM 0 HZ PHE A 25 15.240 -5.173 -3.589 1.00 13.51 H new ATOM 376 N THR A 26 15.346 -8.352 1.631 1.00 44.33 N ATOM 377 CA THR A 26 16.338 -9.377 1.930 1.00 60.15 C ATOM 378 C THR A 26 17.647 -9.106 1.198 1.00 44.53 C ATOM 379 O THR A 26 17.720 -8.226 0.339 1.00 74.52 O ATOM 380 CB THR A 26 15.830 -10.779 1.545 1.00 35.30 C ATOM 381 OG1 THR A 26 15.890 -10.950 0.125 1.00 64.14 O ATOM 382 CG2 THR A 26 14.401 -10.987 2.025 1.00 21.42 C ATOM 0 H THR A 26 15.230 -8.155 0.637 1.00 44.33 H new ATOM 0 HA THR A 26 16.512 -9.343 3.005 1.00 60.15 H new ATOM 0 HB THR A 26 16.471 -11.518 2.027 1.00 35.30 H new ATOM 0 HG1 THR A 26 15.567 -11.845 -0.111 1.00 64.14 H new ATOM 0 HG21 THR A 26 14.064 -11.984 1.742 1.00 21.42 H new ATOM 0 HG22 THR A 26 14.363 -10.886 3.110 1.00 21.42 H new ATOM 0 HG23 THR A 26 13.751 -10.241 1.568 1.00 21.42 H new ATOM 390 N VAL A 27 18.682 -9.866 1.543 1.00 74.24 N ATOM 391 CA VAL A 27 19.989 -9.709 0.917 1.00 51.53 C ATOM 392 C VAL A 27 20.291 -10.869 -0.025 1.00 54.54 C ATOM 393 O VAL A 27 19.579 -11.873 -0.037 1.00 60.15 O ATOM 394 CB VAL A 27 21.108 -9.613 1.971 1.00 60.23 C ATOM 395 CG1 VAL A 27 21.006 -8.305 2.741 1.00 64.51 C ATOM 396 CG2 VAL A 27 21.052 -10.804 2.916 1.00 51.11 C ATOM 0 H VAL A 27 18.640 -10.597 2.253 1.00 74.24 H new ATOM 0 HA VAL A 27 19.957 -8.781 0.346 1.00 51.53 H new ATOM 0 HB VAL A 27 22.070 -9.630 1.458 1.00 60.23 H new ATOM 0 HG11 VAL A 27 21.805 -8.255 3.481 1.00 64.51 H new ATOM 0 HG12 VAL A 27 21.099 -7.468 2.050 1.00 64.51 H new ATOM 0 HG13 VAL A 27 20.041 -8.254 3.245 1.00 64.51 H new ATOM 0 HG21 VAL A 27 21.849 -10.720 3.654 1.00 51.11 H new ATOM 0 HG22 VAL A 27 20.088 -10.821 3.424 1.00 51.11 H new ATOM 0 HG23 VAL A 27 21.179 -11.726 2.348 1.00 51.11 H new ATOM 406 N ASP A 28 21.350 -10.723 -0.813 1.00 62.14 N ATOM 407 CA ASP A 28 21.748 -11.760 -1.759 1.00 10.32 C ATOM 408 C ASP A 28 22.970 -12.519 -1.251 1.00 13.24 C ATOM 409 O ASP A 28 22.961 -13.747 -1.173 1.00 22.43 O ATOM 410 CB ASP A 28 22.047 -11.145 -3.127 1.00 11.31 C ATOM 411 CG ASP A 28 20.815 -10.540 -3.772 1.00 20.34 C ATOM 412 OD1 ASP A 28 19.714 -11.098 -3.584 1.00 13.21 O ATOM 413 OD2 ASP A 28 20.952 -9.510 -4.465 1.00 24.34 O ATOM 0 H ASP A 28 21.949 -9.897 -0.816 1.00 62.14 H new ATOM 0 HA ASP A 28 20.921 -12.463 -1.858 1.00 10.32 H new ATOM 0 HB2 ASP A 28 22.811 -10.375 -3.017 1.00 11.31 H new ATOM 0 HB3 ASP A 28 22.459 -11.911 -3.784 1.00 11.31 H new ATOM 418 N ARG A 29 24.019 -11.779 -0.907 1.00 40.02 N ATOM 419 CA ARG A 29 25.249 -12.382 -0.409 1.00 21.41 C ATOM 420 C ARG A 29 25.686 -11.726 0.898 1.00 71.53 C ATOM 421 O ARG A 29 25.312 -10.591 1.189 1.00 34.52 O ATOM 422 CB ARG A 29 26.362 -12.258 -1.451 1.00 71.33 C ATOM 423 CG ARG A 29 27.605 -13.065 -1.114 1.00 3.33 C ATOM 424 CD ARG A 29 27.283 -14.541 -0.945 1.00 31.15 C ATOM 425 NE ARG A 29 28.484 -15.342 -0.726 1.00 63.22 N ATOM 426 CZ ARG A 29 28.460 -16.618 -0.357 1.00 11.15 C ATOM 427 NH1 ARG A 29 27.302 -17.234 -0.165 1.00 74.14 N ATOM 428 NH2 ARG A 29 29.596 -17.280 -0.178 1.00 11.12 N ATOM 0 H ARG A 29 24.041 -10.761 -0.964 1.00 40.02 H new ATOM 0 HA ARG A 29 25.055 -13.438 -0.219 1.00 21.41 H new ATOM 0 HB2 ARG A 29 25.980 -12.583 -2.419 1.00 71.33 H new ATOM 0 HB3 ARG A 29 26.637 -11.208 -1.553 1.00 71.33 H new ATOM 0 HG2 ARG A 29 28.345 -12.941 -1.904 1.00 3.33 H new ATOM 0 HG3 ARG A 29 28.051 -12.682 -0.196 1.00 3.33 H new ATOM 0 HD2 ARG A 29 26.603 -14.669 -0.103 1.00 31.15 H new ATOM 0 HD3 ARG A 29 26.763 -14.902 -1.832 1.00 31.15 H new ATOM 0 HE ARG A 29 29.392 -14.897 -0.864 1.00 63.22 H new ATOM 0 HH11 ARG A 29 26.427 -16.728 -0.301 1.00 74.14 H new ATOM 0 HH12 ARG A 29 27.286 -18.214 0.118 1.00 74.14 H new ATOM 0 HH21 ARG A 29 30.489 -16.809 -0.324 1.00 11.12 H new ATOM 0 HH22 ARG A 29 29.576 -18.260 0.105 1.00 11.12 H new ATOM 442 N ASN A 30 26.480 -12.450 1.681 1.00 52.14 N ATOM 443 CA ASN A 30 26.967 -11.939 2.957 1.00 52.23 C ATOM 444 C ASN A 30 28.046 -10.882 2.743 1.00 12.52 C ATOM 445 O ASN A 30 29.117 -11.172 2.211 1.00 54.33 O ATOM 446 CB ASN A 30 27.519 -13.082 3.810 1.00 21.14 C ATOM 447 CG ASN A 30 27.602 -12.718 5.280 1.00 20.23 C ATOM 448 OD1 ASN A 30 27.759 -11.549 5.634 1.00 63.51 O ATOM 449 ND2 ASN A 30 27.497 -13.721 6.145 1.00 55.33 N ATOM 0 H ASN A 30 26.799 -13.392 1.454 1.00 52.14 H new ATOM 0 HA ASN A 30 26.129 -11.477 3.479 1.00 52.23 H new ATOM 0 HB2 ASN A 30 26.884 -13.960 3.691 1.00 21.14 H new ATOM 0 HB3 ASN A 30 28.511 -13.355 3.449 1.00 21.14 H new ATOM 0 HD21 ASN A 30 27.546 -13.537 7.147 1.00 55.33 H new ATOM 0 HD22 ASN A 30 27.368 -14.675 5.807 1.00 55.33 H new ATOM 456 N ALA A 31 27.755 -9.654 3.163 1.00 65.50 N ATOM 457 CA ALA A 31 28.701 -8.555 3.020 1.00 3.44 C ATOM 458 C ALA A 31 28.654 -7.629 4.231 1.00 34.04 C ATOM 459 O ALA A 31 27.593 -7.409 4.817 1.00 53.22 O ATOM 460 CB ALA A 31 28.415 -7.774 1.746 1.00 62.42 C ATOM 0 H ALA A 31 26.872 -9.397 3.604 1.00 65.50 H new ATOM 0 HA ALA A 31 29.704 -8.978 2.957 1.00 3.44 H new ATOM 0 HB1 ALA A 31 29.129 -6.956 1.652 1.00 62.42 H new ATOM 0 HB2 ALA A 31 28.507 -8.436 0.885 1.00 62.42 H new ATOM 0 HB3 ALA A 31 27.404 -7.369 1.787 1.00 62.42 H new ATOM 466 N THR A 32 29.810 -7.089 4.604 1.00 70.03 N ATOM 467 CA THR A 32 29.900 -6.189 5.746 1.00 4.23 C ATOM 468 C THR A 32 29.962 -4.734 5.296 1.00 11.32 C ATOM 469 O THR A 32 30.982 -4.276 4.783 1.00 41.52 O ATOM 470 CB THR A 32 31.137 -6.500 6.610 1.00 3.21 C ATOM 471 OG1 THR A 32 31.310 -5.483 7.603 1.00 14.31 O ATOM 472 CG2 THR A 32 32.388 -6.593 5.750 1.00 65.11 C ATOM 0 H THR A 32 30.697 -7.260 4.131 1.00 70.03 H new ATOM 0 HA THR A 32 29.001 -6.344 6.342 1.00 4.23 H new ATOM 0 HB THR A 32 30.978 -7.461 7.099 1.00 3.21 H new ATOM 0 HG1 THR A 32 32.097 -5.689 8.149 1.00 14.31 H new ATOM 0 HG21 THR A 32 33.248 -6.813 6.382 1.00 65.11 H new ATOM 0 HG22 THR A 32 32.265 -7.388 5.014 1.00 65.11 H new ATOM 0 HG23 THR A 32 32.548 -5.645 5.237 1.00 65.11 H new ATOM 480 N ALA A 33 28.864 -4.011 5.493 1.00 73.42 N ATOM 481 CA ALA A 33 28.794 -2.607 5.109 1.00 3.14 C ATOM 482 C ALA A 33 28.105 -1.777 6.187 1.00 5.14 C ATOM 483 O ALA A 33 27.228 -2.268 6.898 1.00 63.43 O ATOM 484 CB ALA A 33 28.068 -2.458 3.781 1.00 53.31 C ATOM 0 H ALA A 33 28.011 -4.375 5.917 1.00 73.42 H new ATOM 0 HA ALA A 33 29.813 -2.236 4.997 1.00 3.14 H new ATOM 0 HB1 ALA A 33 28.023 -1.404 3.507 1.00 53.31 H new ATOM 0 HB2 ALA A 33 28.604 -3.011 3.009 1.00 53.31 H new ATOM 0 HB3 ALA A 33 27.056 -2.852 3.873 1.00 53.31 H new ATOM 490 N VAL A 34 28.509 -0.516 6.305 1.00 53.33 N ATOM 491 CA VAL A 34 27.930 0.383 7.296 1.00 32.13 C ATOM 492 C VAL A 34 27.001 1.399 6.641 1.00 33.33 C ATOM 493 O VAL A 34 27.446 2.278 5.903 1.00 33.22 O ATOM 494 CB VAL A 34 29.023 1.134 8.079 1.00 21.24 C ATOM 495 CG1 VAL A 34 30.004 1.797 7.125 1.00 62.34 C ATOM 496 CG2 VAL A 34 28.399 2.160 9.013 1.00 24.23 C ATOM 0 H VAL A 34 29.235 -0.094 5.726 1.00 53.33 H new ATOM 0 HA VAL A 34 27.358 -0.235 7.987 1.00 32.13 H new ATOM 0 HB VAL A 34 29.573 0.413 8.683 1.00 21.24 H new ATOM 0 HG11 VAL A 34 30.769 2.323 7.697 1.00 62.34 H new ATOM 0 HG12 VAL A 34 30.475 1.037 6.502 1.00 62.34 H new ATOM 0 HG13 VAL A 34 29.472 2.507 6.492 1.00 62.34 H new ATOM 0 HG21 VAL A 34 29.186 2.681 9.558 1.00 24.23 H new ATOM 0 HG22 VAL A 34 27.823 2.879 8.431 1.00 24.23 H new ATOM 0 HG23 VAL A 34 27.741 1.655 9.720 1.00 24.23 H new ATOM 506 N VAL A 35 25.706 1.272 6.917 1.00 44.34 N ATOM 507 CA VAL A 35 24.713 2.180 6.356 1.00 42.45 C ATOM 508 C VAL A 35 23.846 2.791 7.451 1.00 44.52 C ATOM 509 O VAL A 35 23.463 2.113 8.404 1.00 54.33 O ATOM 510 CB VAL A 35 23.806 1.462 5.339 1.00 21.43 C ATOM 511 CG1 VAL A 35 23.005 2.471 4.531 1.00 33.22 C ATOM 512 CG2 VAL A 35 24.633 0.570 4.425 1.00 11.20 C ATOM 0 H VAL A 35 25.321 0.549 7.525 1.00 44.34 H new ATOM 0 HA VAL A 35 25.261 2.972 5.846 1.00 42.45 H new ATOM 0 HB VAL A 35 23.104 0.832 5.886 1.00 21.43 H new ATOM 0 HG11 VAL A 35 22.370 1.945 3.818 1.00 33.22 H new ATOM 0 HG12 VAL A 35 22.383 3.063 5.202 1.00 33.22 H new ATOM 0 HG13 VAL A 35 23.687 3.129 3.993 1.00 33.22 H new ATOM 0 HG21 VAL A 35 23.976 0.070 3.713 1.00 11.20 H new ATOM 0 HG22 VAL A 35 25.360 1.177 3.885 1.00 11.20 H new ATOM 0 HG23 VAL A 35 25.156 -0.177 5.022 1.00 11.20 H new ATOM 522 N SER A 36 23.541 4.077 7.308 1.00 50.21 N ATOM 523 CA SER A 36 22.722 4.782 8.287 1.00 34.40 C ATOM 524 C SER A 36 21.688 5.666 7.595 1.00 22.43 C ATOM 525 O SER A 36 21.768 5.906 6.390 1.00 30.42 O ATOM 526 CB SER A 36 23.603 5.631 9.205 1.00 62.32 C ATOM 527 OG SER A 36 24.025 6.816 8.553 1.00 11.31 O ATOM 0 H SER A 36 23.849 4.652 6.524 1.00 50.21 H new ATOM 0 HA SER A 36 22.196 4.039 8.886 1.00 34.40 H new ATOM 0 HB2 SER A 36 23.051 5.887 10.110 1.00 62.32 H new ATOM 0 HB3 SER A 36 24.474 5.053 9.515 1.00 62.32 H new ATOM 0 HG SER A 36 24.585 7.342 9.161 1.00 11.31 H new ATOM 533 N ILE A 37 20.719 6.147 8.367 1.00 62.52 N ATOM 534 CA ILE A 37 19.671 7.005 7.829 1.00 35.55 C ATOM 535 C ILE A 37 19.820 8.436 8.333 1.00 42.35 C ATOM 536 O ILE A 37 20.190 8.665 9.484 1.00 44.11 O ATOM 537 CB ILE A 37 18.270 6.484 8.204 1.00 3.34 C ATOM 538 CG1 ILE A 37 17.827 7.070 9.547 1.00 64.31 C ATOM 539 CG2 ILE A 37 18.266 4.964 8.256 1.00 25.24 C ATOM 540 CD1 ILE A 37 18.595 6.520 10.729 1.00 44.14 C ATOM 0 H ILE A 37 20.638 5.957 9.366 1.00 62.52 H new ATOM 0 HA ILE A 37 19.777 6.991 6.744 1.00 35.55 H new ATOM 0 HB ILE A 37 17.563 6.803 7.438 1.00 3.34 H new ATOM 0 HG12 ILE A 37 17.946 8.153 9.519 1.00 64.31 H new ATOM 0 HG13 ILE A 37 16.765 6.870 9.689 1.00 64.31 H new ATOM 0 HG21 ILE A 37 17.269 4.612 8.522 1.00 25.24 H new ATOM 0 HG22 ILE A 37 18.543 4.566 7.280 1.00 25.24 H new ATOM 0 HG23 ILE A 37 18.983 4.624 9.003 1.00 25.24 H new ATOM 0 HD11 ILE A 37 18.228 6.979 11.647 1.00 44.14 H new ATOM 0 HD12 ILE A 37 18.456 5.440 10.783 1.00 44.14 H new ATOM 0 HD13 ILE A 37 19.655 6.744 10.610 1.00 44.14 H new ATOM 552 N SER A 38 19.528 9.397 7.462 1.00 40.22 N ATOM 553 CA SER A 38 19.632 10.808 7.817 1.00 72.32 C ATOM 554 C SER A 38 19.002 11.687 6.740 1.00 22.42 C ATOM 555 O SER A 38 18.618 11.204 5.676 1.00 55.31 O ATOM 556 CB SER A 38 21.097 11.198 8.017 1.00 3.44 C ATOM 557 OG SER A 38 21.696 11.580 6.791 1.00 11.20 O ATOM 0 H SER A 38 19.218 9.224 6.506 1.00 40.22 H new ATOM 0 HA SER A 38 19.091 10.964 8.751 1.00 72.32 H new ATOM 0 HB2 SER A 38 21.163 12.020 8.729 1.00 3.44 H new ATOM 0 HB3 SER A 38 21.644 10.359 8.447 1.00 3.44 H new ATOM 0 HG SER A 38 22.632 11.826 6.947 1.00 11.20 H new ATOM 563 N GLY A 39 18.901 12.981 7.026 1.00 14.14 N ATOM 564 CA GLY A 39 18.317 13.908 6.074 1.00 22.21 C ATOM 565 C GLY A 39 17.791 15.165 6.737 1.00 50.43 C ATOM 566 O GLY A 39 17.612 16.192 6.083 1.00 64.04 O ATOM 0 H GLY A 39 19.213 13.404 7.900 1.00 14.14 H new ATOM 0 HA2 GLY A 39 19.066 14.180 5.330 1.00 22.21 H new ATOM 0 HA3 GLY A 39 17.504 13.414 5.542 1.00 22.21 H new ATOM 595 N ASP A 43 14.028 11.900 14.216 1.00 4.33 N ATOM 596 CA ASP A 43 12.629 11.786 14.611 1.00 3.13 C ATOM 597 C ASP A 43 12.085 10.398 14.288 1.00 12.22 C ATOM 598 O ASP A 43 11.259 9.858 15.023 1.00 14.21 O ATOM 599 CB ASP A 43 11.790 12.853 13.908 1.00 53.54 C ATOM 600 CG ASP A 43 10.872 12.266 12.853 1.00 45.30 C ATOM 601 OD1 ASP A 43 11.376 11.878 11.778 1.00 70.30 O ATOM 602 OD2 ASP A 43 9.651 12.194 13.103 1.00 43.51 O ATOM 0 HA ASP A 43 12.567 11.939 15.688 1.00 3.13 H new ATOM 0 HB2 ASP A 43 11.194 13.388 14.647 1.00 53.54 H new ATOM 0 HB3 ASP A 43 12.452 13.584 13.443 1.00 53.54 H new ATOM 607 N ALA A 44 12.553 9.827 13.183 1.00 0.03 N ATOM 608 CA ALA A 44 12.114 8.502 12.763 1.00 11.14 C ATOM 609 C ALA A 44 13.027 7.418 13.325 1.00 61.51 C ATOM 610 O ALA A 44 14.176 7.282 12.905 1.00 64.30 O ATOM 611 CB ALA A 44 12.065 8.419 11.245 1.00 55.11 C ATOM 0 H ALA A 44 13.236 10.261 12.563 1.00 0.03 H new ATOM 0 HA ALA A 44 11.111 8.336 13.157 1.00 11.14 H new ATOM 0 HB1 ALA A 44 11.736 7.424 10.945 1.00 55.11 H new ATOM 0 HB2 ALA A 44 11.366 9.163 10.862 1.00 55.11 H new ATOM 0 HB3 ALA A 44 13.058 8.610 10.838 1.00 55.11 H new ATOM 617 N ASP A 45 12.509 6.649 14.276 1.00 31.32 N ATOM 618 CA ASP A 45 13.278 5.575 14.895 1.00 11.43 C ATOM 619 C ASP A 45 13.568 4.465 13.890 1.00 11.02 C ATOM 620 O ASP A 45 12.760 4.191 13.001 1.00 22.05 O ATOM 621 CB ASP A 45 12.524 5.007 16.098 1.00 13.14 C ATOM 622 CG ASP A 45 12.304 6.041 17.185 1.00 12.10 C ATOM 623 OD1 ASP A 45 11.796 7.137 16.868 1.00 42.35 O ATOM 624 OD2 ASP A 45 12.639 5.754 18.353 1.00 35.12 O ATOM 0 H ASP A 45 11.560 6.749 14.635 1.00 31.32 H new ATOM 0 HA ASP A 45 14.227 5.990 15.234 1.00 11.43 H new ATOM 0 HB2 ASP A 45 11.560 4.620 15.769 1.00 13.14 H new ATOM 0 HB3 ASP A 45 13.082 4.166 16.509 1.00 13.14 H new ATOM 629 N LEU A 46 14.725 3.830 14.036 1.00 64.21 N ATOM 630 CA LEU A 46 15.123 2.749 13.140 1.00 2.22 C ATOM 631 C LEU A 46 15.119 1.409 13.868 1.00 24.04 C ATOM 632 O LEU A 46 15.739 1.262 14.922 1.00 31.32 O ATOM 633 CB LEU A 46 16.513 3.025 12.562 1.00 35.34 C ATOM 634 CG LEU A 46 17.122 1.905 11.717 1.00 0.44 C ATOM 635 CD1 LEU A 46 17.955 2.485 10.584 1.00 33.14 C ATOM 636 CD2 LEU A 46 17.966 0.982 12.584 1.00 2.30 C ATOM 0 H LEU A 46 15.404 4.044 14.766 1.00 64.21 H new ATOM 0 HA LEU A 46 14.401 2.701 12.325 1.00 2.22 H new ATOM 0 HB2 LEU A 46 16.458 3.926 11.951 1.00 35.34 H new ATOM 0 HB3 LEU A 46 17.192 3.241 13.387 1.00 35.34 H new ATOM 0 HG LEU A 46 16.311 1.321 11.282 1.00 0.44 H new ATOM 0 HD11 LEU A 46 18.381 1.674 9.993 1.00 33.14 H new ATOM 0 HD12 LEU A 46 17.323 3.104 9.948 1.00 33.14 H new ATOM 0 HD13 LEU A 46 18.759 3.093 10.998 1.00 33.14 H new ATOM 0 HD21 LEU A 46 18.391 0.191 11.966 1.00 2.30 H new ATOM 0 HD22 LEU A 46 18.771 1.553 13.047 1.00 2.30 H new ATOM 0 HD23 LEU A 46 17.341 0.540 13.360 1.00 2.30 H new ATOM 648 N TYR A 47 14.419 0.434 13.299 1.00 43.32 N ATOM 649 CA TYR A 47 14.335 -0.894 13.894 1.00 72.22 C ATOM 650 C TYR A 47 14.623 -1.975 12.856 1.00 32.03 C ATOM 651 O TYR A 47 14.422 -1.772 11.658 1.00 13.11 O ATOM 652 CB TYR A 47 12.950 -1.115 14.505 1.00 3.25 C ATOM 653 CG TYR A 47 12.660 -0.217 15.687 1.00 25.43 C ATOM 654 CD1 TYR A 47 13.083 -0.561 16.966 1.00 52.44 C ATOM 655 CD2 TYR A 47 11.965 0.975 15.525 1.00 20.42 C ATOM 656 CE1 TYR A 47 12.819 0.256 18.048 1.00 24.03 C ATOM 657 CE2 TYR A 47 11.698 1.798 16.602 1.00 45.21 C ATOM 658 CZ TYR A 47 12.127 1.434 17.861 1.00 2.34 C ATOM 659 OH TYR A 47 11.864 2.251 18.937 1.00 2.20 O ATOM 0 H TYR A 47 13.902 0.539 12.426 1.00 43.32 H new ATOM 0 HA TYR A 47 15.087 -0.960 14.680 1.00 72.22 H new ATOM 0 HB2 TYR A 47 12.193 -0.949 13.739 1.00 3.25 H new ATOM 0 HB3 TYR A 47 12.862 -2.155 14.819 1.00 3.25 H new ATOM 0 HD1 TYR A 47 13.627 -1.482 17.116 1.00 52.44 H new ATOM 0 HD2 TYR A 47 11.628 1.263 14.540 1.00 20.42 H new ATOM 0 HE1 TYR A 47 13.153 -0.026 19.036 1.00 24.03 H new ATOM 0 HE2 TYR A 47 11.156 2.721 16.459 1.00 45.21 H new ATOM 0 HH TYR A 47 11.369 3.041 18.635 1.00 2.20 H new ATOM 669 N LEU A 48 15.095 -3.125 13.325 1.00 15.12 N ATOM 670 CA LEU A 48 15.410 -4.240 12.440 1.00 64.44 C ATOM 671 C LEU A 48 15.309 -5.570 13.181 1.00 44.42 C ATOM 672 O LEU A 48 15.828 -5.717 14.288 1.00 51.22 O ATOM 673 CB LEU A 48 16.815 -4.073 11.858 1.00 62.33 C ATOM 674 CG LEU A 48 17.006 -4.551 10.418 1.00 44.13 C ATOM 675 CD1 LEU A 48 18.455 -4.380 9.987 1.00 72.33 C ATOM 676 CD2 LEU A 48 16.573 -6.003 10.275 1.00 0.44 C ATOM 0 H LEU A 48 15.268 -3.309 14.313 1.00 15.12 H new ATOM 0 HA LEU A 48 14.684 -4.243 11.627 1.00 64.44 H new ATOM 0 HB2 LEU A 48 17.084 -3.018 11.908 1.00 62.33 H new ATOM 0 HB3 LEU A 48 17.517 -4.612 12.495 1.00 62.33 H new ATOM 0 HG LEU A 48 16.380 -3.941 9.767 1.00 44.13 H new ATOM 0 HD11 LEU A 48 18.572 -4.725 8.960 1.00 72.33 H new ATOM 0 HD12 LEU A 48 18.732 -3.328 10.050 1.00 72.33 H new ATOM 0 HD13 LEU A 48 19.101 -4.965 10.642 1.00 72.33 H new ATOM 0 HD21 LEU A 48 16.716 -6.325 9.244 1.00 0.44 H new ATOM 0 HD22 LEU A 48 17.172 -6.628 10.937 1.00 0.44 H new ATOM 0 HD23 LEU A 48 15.520 -6.097 10.542 1.00 0.44 H new ATOM 688 N LYS A 49 14.640 -6.537 12.562 1.00 2.43 N ATOM 689 CA LYS A 49 14.474 -7.856 13.161 1.00 54.15 C ATOM 690 C LYS A 49 14.593 -8.951 12.105 1.00 12.23 C ATOM 691 O LYS A 49 13.889 -8.932 11.096 1.00 33.41 O ATOM 692 CB LYS A 49 13.116 -7.953 13.861 1.00 63.23 C ATOM 693 CG LYS A 49 13.209 -8.415 15.305 1.00 75.13 C ATOM 694 CD LYS A 49 12.033 -9.301 15.683 1.00 1.41 C ATOM 695 CE LYS A 49 12.415 -10.302 16.762 1.00 34.33 C ATOM 696 NZ LYS A 49 13.099 -11.496 16.194 1.00 70.42 N ATOM 0 H LYS A 49 14.204 -6.432 11.646 1.00 2.43 H new ATOM 0 HA LYS A 49 15.266 -7.997 13.896 1.00 54.15 H new ATOM 0 HB2 LYS A 49 12.630 -6.978 13.831 1.00 63.23 H new ATOM 0 HB3 LYS A 49 12.480 -8.643 13.307 1.00 63.23 H new ATOM 0 HG2 LYS A 49 14.140 -8.961 15.454 1.00 75.13 H new ATOM 0 HG3 LYS A 49 13.239 -7.548 15.964 1.00 75.13 H new ATOM 0 HD2 LYS A 49 11.208 -8.682 16.035 1.00 1.41 H new ATOM 0 HD3 LYS A 49 11.678 -9.833 14.800 1.00 1.41 H new ATOM 0 HE2 LYS A 49 13.069 -9.820 17.489 1.00 34.33 H new ATOM 0 HE3 LYS A 49 11.520 -10.617 17.298 1.00 34.33 H new ATOM 0 HZ1 LYS A 49 13.343 -12.154 16.961 1.00 70.42 H new ATOM 0 HZ2 LYS A 49 12.466 -11.971 15.519 1.00 70.42 H new ATOM 0 HZ3 LYS A 49 13.967 -11.199 15.704 1.00 70.42 H new ATOM 710 N ALA A 50 15.487 -9.904 12.346 1.00 2.23 N ATOM 711 CA ALA A 50 15.695 -11.008 11.418 1.00 24.33 C ATOM 712 C ALA A 50 14.483 -11.933 11.384 1.00 10.41 C ATOM 713 O ALA A 50 14.032 -12.419 12.420 1.00 73.20 O ATOM 714 CB ALA A 50 16.945 -11.788 11.798 1.00 24.20 C ATOM 0 H ALA A 50 16.079 -9.934 13.176 1.00 2.23 H new ATOM 0 HA ALA A 50 15.829 -10.591 10.420 1.00 24.33 H new ATOM 0 HB1 ALA A 50 17.088 -12.610 11.096 1.00 24.20 H new ATOM 0 HB2 ALA A 50 17.811 -11.127 11.764 1.00 24.20 H new ATOM 0 HB3 ALA A 50 16.832 -12.187 12.806 1.00 24.20 H new ATOM 720 N GLY A 51 13.959 -12.170 10.185 1.00 31.03 N ATOM 721 CA GLY A 51 12.803 -13.035 10.039 1.00 13.22 C ATOM 722 C GLY A 51 11.504 -12.257 9.952 1.00 65.23 C ATOM 723 O GLY A 51 10.886 -12.186 8.890 1.00 71.11 O ATOM 0 H GLY A 51 14.314 -11.779 9.313 1.00 31.03 H new ATOM 0 HA2 GLY A 51 12.919 -13.643 9.142 1.00 13.22 H new ATOM 0 HA3 GLY A 51 12.757 -13.720 10.885 1.00 13.22 H new ATOM 727 N SER A 52 11.089 -11.674 11.072 1.00 44.45 N ATOM 728 CA SER A 52 9.853 -10.902 11.118 1.00 1.14 C ATOM 729 C SER A 52 10.145 -9.422 11.347 1.00 12.12 C ATOM 730 O SER A 52 11.302 -9.003 11.385 1.00 61.35 O ATOM 731 CB SER A 52 8.939 -11.430 12.225 1.00 31.25 C ATOM 732 OG SER A 52 8.704 -12.819 12.073 1.00 21.44 O ATOM 0 H SER A 52 11.590 -11.722 11.959 1.00 44.45 H new ATOM 0 HA SER A 52 9.349 -11.011 10.157 1.00 1.14 H new ATOM 0 HB2 SER A 52 9.393 -11.239 13.197 1.00 31.25 H new ATOM 0 HB3 SER A 52 7.991 -10.893 12.205 1.00 31.25 H new ATOM 0 HG SER A 52 8.119 -13.133 12.794 1.00 21.44 H new ATOM 738 N LYS A 53 9.086 -8.634 11.500 1.00 3.51 N ATOM 739 CA LYS A 53 9.226 -7.200 11.727 1.00 53.14 C ATOM 740 C LYS A 53 9.355 -6.894 13.215 1.00 32.45 C ATOM 741 O LYS A 53 8.632 -7.438 14.050 1.00 34.53 O ATOM 742 CB LYS A 53 8.025 -6.451 11.144 1.00 72.42 C ATOM 743 CG LYS A 53 6.760 -6.592 11.973 1.00 51.31 C ATOM 744 CD LYS A 53 6.613 -5.450 12.964 1.00 4.53 C ATOM 745 CE LYS A 53 5.748 -4.332 12.403 1.00 51.11 C ATOM 746 NZ LYS A 53 4.339 -4.432 12.874 1.00 12.31 N ATOM 0 H LYS A 53 8.121 -8.964 11.471 1.00 3.51 H new ATOM 0 HA LYS A 53 10.134 -6.866 11.226 1.00 53.14 H new ATOM 0 HB2 LYS A 53 8.275 -5.394 11.055 1.00 72.42 H new ATOM 0 HB3 LYS A 53 7.832 -6.819 10.136 1.00 72.42 H new ATOM 0 HG2 LYS A 53 5.893 -6.617 11.313 1.00 51.31 H new ATOM 0 HG3 LYS A 53 6.779 -7.541 12.510 1.00 51.31 H new ATOM 0 HD2 LYS A 53 6.172 -5.824 13.888 1.00 4.53 H new ATOM 0 HD3 LYS A 53 7.598 -5.057 13.217 1.00 4.53 H new ATOM 0 HE2 LYS A 53 6.163 -3.368 12.699 1.00 51.11 H new ATOM 0 HE3 LYS A 53 5.770 -4.367 11.314 1.00 51.11 H new ATOM 0 HZ1 LYS A 53 3.782 -3.652 12.470 1.00 12.31 H new ATOM 0 HZ2 LYS A 53 3.935 -5.341 12.570 1.00 12.31 H new ATOM 0 HZ3 LYS A 53 4.315 -4.373 13.912 1.00 12.31 H new ATOM 760 N PRO A 54 10.296 -6.002 13.558 1.00 21.40 N ATOM 761 CA PRO A 54 10.540 -5.603 14.947 1.00 22.12 C ATOM 762 C PRO A 54 9.400 -4.767 15.519 1.00 45.43 C ATOM 763 O PRO A 54 8.795 -3.959 14.814 1.00 53.23 O ATOM 764 CB PRO A 54 11.821 -4.771 14.857 1.00 5.41 C ATOM 765 CG PRO A 54 11.838 -4.251 13.461 1.00 1.21 C ATOM 766 CD PRO A 54 11.194 -5.315 12.615 1.00 3.45 C ATOM 0 HA PRO A 54 10.621 -6.464 15.610 1.00 22.12 H new ATOM 0 HB2 PRO A 54 11.816 -3.957 15.582 1.00 5.41 H new ATOM 0 HB3 PRO A 54 12.702 -5.378 15.064 1.00 5.41 H new ATOM 0 HG2 PRO A 54 11.292 -3.311 13.388 1.00 1.21 H new ATOM 0 HG3 PRO A 54 12.858 -4.054 13.130 1.00 1.21 H new ATOM 0 HD2 PRO A 54 10.645 -4.885 11.778 1.00 3.45 H new ATOM 0 HD3 PRO A 54 11.933 -5.997 12.195 1.00 3.45 H new ATOM 774 N THR A 55 9.113 -4.965 16.801 1.00 14.45 N ATOM 775 CA THR A 55 8.045 -4.229 17.468 1.00 61.15 C ATOM 776 C THR A 55 8.605 -3.084 18.304 1.00 61.22 C ATOM 777 O THR A 55 9.820 -2.896 18.385 1.00 75.22 O ATOM 778 CB THR A 55 7.209 -5.151 18.375 1.00 72.22 C ATOM 779 OG1 THR A 55 7.784 -5.202 19.685 1.00 12.22 O ATOM 780 CG2 THR A 55 7.131 -6.555 17.795 1.00 64.51 C ATOM 0 H THR A 55 9.605 -5.629 17.399 1.00 14.45 H new ATOM 0 HA THR A 55 7.404 -3.824 16.685 1.00 61.15 H new ATOM 0 HB THR A 55 6.200 -4.744 18.437 1.00 72.22 H new ATOM 0 HG1 THR A 55 7.246 -5.789 20.256 1.00 12.22 H new ATOM 0 HG21 THR A 55 6.536 -7.188 18.453 1.00 64.51 H new ATOM 0 HG22 THR A 55 6.666 -6.516 16.810 1.00 64.51 H new ATOM 0 HG23 THR A 55 8.136 -6.968 17.706 1.00 64.51 H new ATOM 788 N THR A 56 7.713 -2.320 18.926 1.00 34.32 N ATOM 789 CA THR A 56 8.118 -1.193 19.756 1.00 32.14 C ATOM 790 C THR A 56 8.903 -1.663 20.976 1.00 41.43 C ATOM 791 O THR A 56 9.565 -0.868 21.643 1.00 23.00 O ATOM 792 CB THR A 56 6.900 -0.376 20.228 1.00 70.12 C ATOM 793 OG1 THR A 56 6.074 -1.176 21.081 1.00 1.14 O ATOM 794 CG2 THR A 56 6.085 0.115 19.040 1.00 24.25 C ATOM 0 H THR A 56 6.704 -2.462 18.870 1.00 34.32 H new ATOM 0 HA THR A 56 8.755 -0.559 19.139 1.00 32.14 H new ATOM 0 HB THR A 56 7.263 0.489 20.782 1.00 70.12 H new ATOM 0 HG1 THR A 56 5.303 -0.649 21.378 1.00 1.14 H new ATOM 0 HG21 THR A 56 5.230 0.689 19.398 1.00 24.25 H new ATOM 0 HG22 THR A 56 6.708 0.747 18.408 1.00 24.25 H new ATOM 0 HG23 THR A 56 5.732 -0.740 18.463 1.00 24.25 H new ATOM 802 N SER A 57 8.825 -2.959 21.261 1.00 45.52 N ATOM 803 CA SER A 57 9.527 -3.533 22.403 1.00 62.44 C ATOM 804 C SER A 57 10.523 -4.597 21.949 1.00 11.31 C ATOM 805 O SER A 57 11.515 -4.863 22.627 1.00 43.10 O ATOM 806 CB SER A 57 8.528 -4.142 23.389 1.00 41.43 C ATOM 807 OG SER A 57 7.844 -3.132 24.109 1.00 15.53 O ATOM 0 H SER A 57 8.283 -3.631 20.717 1.00 45.52 H new ATOM 0 HA SER A 57 10.076 -2.733 22.900 1.00 62.44 H new ATOM 0 HB2 SER A 57 7.809 -4.759 22.849 1.00 41.43 H new ATOM 0 HB3 SER A 57 9.052 -4.798 24.084 1.00 41.43 H new ATOM 0 HG SER A 57 7.210 -3.546 24.731 1.00 15.53 H new ATOM 813 N SER A 58 10.250 -5.201 20.797 1.00 33.44 N ATOM 814 CA SER A 58 11.119 -6.239 20.254 1.00 55.33 C ATOM 815 C SER A 58 11.978 -5.688 19.120 1.00 71.23 C ATOM 816 O SER A 58 11.465 -5.109 18.162 1.00 34.32 O ATOM 817 CB SER A 58 10.286 -7.419 19.751 1.00 74.32 C ATOM 818 OG SER A 58 10.703 -8.632 20.354 1.00 10.31 O ATOM 0 H SER A 58 9.435 -4.990 20.222 1.00 33.44 H new ATOM 0 HA SER A 58 11.777 -6.583 21.052 1.00 55.33 H new ATOM 0 HB2 SER A 58 9.233 -7.244 19.970 1.00 74.32 H new ATOM 0 HB3 SER A 58 10.378 -7.497 18.668 1.00 74.32 H new ATOM 0 HG SER A 58 10.154 -9.370 20.017 1.00 10.31 H new ATOM 824 N TRP A 59 13.288 -5.873 19.236 1.00 71.24 N ATOM 825 CA TRP A 59 14.220 -5.395 18.221 1.00 72.45 C ATOM 826 C TRP A 59 15.460 -6.280 18.160 1.00 20.25 C ATOM 827 O TRP A 59 15.824 -6.923 19.146 1.00 53.43 O ATOM 828 CB TRP A 59 14.624 -3.949 18.510 1.00 13.21 C ATOM 829 CG TRP A 59 14.304 -3.511 19.907 1.00 21.25 C ATOM 830 CD1 TRP A 59 13.102 -3.056 20.369 1.00 30.20 C ATOM 831 CD2 TRP A 59 15.200 -3.486 21.024 1.00 44.33 C ATOM 832 NE1 TRP A 59 13.197 -2.749 21.705 1.00 20.30 N ATOM 833 CE2 TRP A 59 14.474 -3.005 22.130 1.00 13.25 C ATOM 834 CE3 TRP A 59 16.545 -3.824 21.197 1.00 61.25 C ATOM 835 CZ2 TRP A 59 15.049 -2.854 23.389 1.00 11.14 C ATOM 836 CZ3 TRP A 59 17.114 -3.674 22.447 1.00 45.55 C ATOM 837 CH2 TRP A 59 16.367 -3.193 23.530 1.00 42.30 C ATOM 0 H TRP A 59 13.729 -6.350 20.022 1.00 71.24 H new ATOM 0 HA TRP A 59 13.718 -5.438 17.254 1.00 72.45 H new ATOM 0 HB2 TRP A 59 15.695 -3.837 18.338 1.00 13.21 H new ATOM 0 HB3 TRP A 59 14.117 -3.290 17.805 1.00 13.21 H new ATOM 0 HD1 TRP A 59 12.208 -2.953 19.772 1.00 30.20 H new ATOM 0 HE1 TRP A 59 12.440 -2.389 22.286 1.00 20.30 H new ATOM 0 HE3 TRP A 59 17.129 -4.196 20.368 1.00 61.25 H new ATOM 0 HZ2 TRP A 59 14.475 -2.482 24.225 1.00 11.14 H new ATOM 0 HZ3 TRP A 59 18.153 -3.932 22.592 1.00 45.55 H new ATOM 0 HH2 TRP A 59 16.841 -3.088 24.495 1.00 42.30 H new ATOM 848 N ASP A 60 16.105 -6.309 17.000 1.00 43.13 N ATOM 849 CA ASP A 60 17.306 -7.115 16.812 1.00 3.43 C ATOM 850 C ASP A 60 18.531 -6.227 16.614 1.00 52.43 C ATOM 851 O ASP A 60 19.653 -6.618 16.937 1.00 32.24 O ATOM 852 CB ASP A 60 17.138 -8.048 15.613 1.00 71.15 C ATOM 853 CG ASP A 60 18.125 -9.198 15.631 1.00 63.50 C ATOM 854 OD1 ASP A 60 18.485 -9.654 16.737 1.00 61.32 O ATOM 855 OD2 ASP A 60 18.537 -9.644 14.540 1.00 44.54 O ATOM 0 H ASP A 60 15.817 -5.784 16.175 1.00 43.13 H new ATOM 0 HA ASP A 60 17.455 -7.714 17.710 1.00 3.43 H new ATOM 0 HB2 ASP A 60 16.123 -8.445 15.605 1.00 71.15 H new ATOM 0 HB3 ASP A 60 17.265 -7.478 14.692 1.00 71.15 H new ATOM 860 N CYS A 61 18.308 -5.031 16.079 1.00 32.32 N ATOM 861 CA CYS A 61 19.393 -4.088 15.835 1.00 24.14 C ATOM 862 C CYS A 61 18.923 -2.652 16.042 1.00 73.13 C ATOM 863 O CYS A 61 17.950 -2.213 15.427 1.00 4.24 O ATOM 864 CB CYS A 61 19.938 -4.260 14.417 1.00 74.44 C ATOM 865 SG CYS A 61 20.598 -5.908 14.074 1.00 21.44 S ATOM 0 H CYS A 61 17.385 -4.692 15.806 1.00 32.32 H new ATOM 0 HA CYS A 61 20.189 -4.297 16.550 1.00 24.14 H new ATOM 0 HB2 CYS A 61 19.142 -4.044 13.705 1.00 74.44 H new ATOM 0 HB3 CYS A 61 20.724 -3.524 14.250 1.00 74.44 H new ATOM 0 HG CYS A 61 20.418 -6.672 15.110 1.00 21.44 H new ATOM 871 N ARG A 62 19.618 -1.926 16.911 1.00 32.22 N ATOM 872 CA ARG A 62 19.269 -0.541 17.201 1.00 41.52 C ATOM 873 C ARG A 62 20.319 0.108 18.098 1.00 1.22 C ATOM 874 O ARG A 62 20.639 -0.387 19.179 1.00 12.22 O ATOM 875 CB ARG A 62 17.895 -0.467 17.870 1.00 63.11 C ATOM 876 CG ARG A 62 17.427 0.952 18.144 1.00 14.44 C ATOM 877 CD ARG A 62 15.913 1.067 18.051 1.00 42.33 C ATOM 878 NE ARG A 62 15.329 1.612 19.273 1.00 32.13 N ATOM 879 CZ ARG A 62 15.242 0.933 20.412 1.00 4.51 C ATOM 880 NH1 ARG A 62 15.701 -0.309 20.484 1.00 15.40 N ATOM 881 NH2 ARG A 62 14.697 1.498 21.482 1.00 23.22 N ATOM 0 H ARG A 62 20.426 -2.274 17.427 1.00 32.22 H new ATOM 0 HA ARG A 62 19.235 0.003 16.257 1.00 41.52 H new ATOM 0 HB2 ARG A 62 17.163 -0.965 17.234 1.00 63.11 H new ATOM 0 HB3 ARG A 62 17.928 -1.018 18.810 1.00 63.11 H new ATOM 0 HG2 ARG A 62 17.756 1.260 19.137 1.00 14.44 H new ATOM 0 HG3 ARG A 62 17.889 1.633 17.430 1.00 14.44 H new ATOM 0 HD2 ARG A 62 15.649 1.705 17.207 1.00 42.33 H new ATOM 0 HD3 ARG A 62 15.486 0.084 17.853 1.00 42.33 H new ATOM 0 HE ARG A 62 14.968 2.566 19.251 1.00 32.13 H new ATOM 0 HH11 ARG A 62 16.122 -0.745 19.664 1.00 15.40 H new ATOM 0 HH12 ARG A 62 15.633 -0.828 21.360 1.00 15.40 H new ATOM 0 HH21 ARG A 62 14.345 2.454 21.430 1.00 23.22 H new ATOM 0 HH22 ARG A 62 14.630 0.976 22.356 1.00 23.22 H new ATOM 895 N PRO A 63 20.869 1.243 17.641 1.00 65.43 N ATOM 896 CA PRO A 63 21.891 1.983 18.386 1.00 4.33 C ATOM 897 C PRO A 63 21.329 2.646 19.639 1.00 14.10 C ATOM 898 O PRO A 63 22.073 3.206 20.444 1.00 33.05 O ATOM 899 CB PRO A 63 22.362 3.043 17.386 1.00 31.54 C ATOM 900 CG PRO A 63 21.208 3.231 16.463 1.00 11.23 C ATOM 901 CD PRO A 63 20.536 1.890 16.361 1.00 61.23 C ATOM 0 HA PRO A 63 22.687 1.330 18.743 1.00 4.33 H new ATOM 0 HB2 PRO A 63 22.622 3.974 17.889 1.00 31.54 H new ATOM 0 HB3 PRO A 63 23.250 2.712 16.847 1.00 31.54 H new ATOM 0 HG2 PRO A 63 20.520 3.984 16.847 1.00 11.23 H new ATOM 0 HG3 PRO A 63 21.543 3.575 15.484 1.00 11.23 H new ATOM 0 HD2 PRO A 63 19.459 1.990 16.229 1.00 61.23 H new ATOM 0 HD3 PRO A 63 20.909 1.317 15.512 1.00 61.23 H new ATOM 982 N ASN A 68 15.659 9.407 13.569 1.00 64.01 N ATOM 983 CA ASN A 68 16.571 9.408 12.431 1.00 45.41 C ATOM 984 C ASN A 68 18.002 9.689 12.881 1.00 61.52 C ATOM 985 O ASN A 68 18.239 10.079 14.023 1.00 50.41 O ATOM 986 CB ASN A 68 16.135 10.453 11.402 1.00 53.20 C ATOM 987 CG ASN A 68 14.925 10.008 10.603 1.00 30.34 C ATOM 988 OD1 ASN A 68 14.958 8.979 9.928 1.00 53.02 O ATOM 989 ND2 ASN A 68 13.849 10.783 10.677 1.00 22.35 N ATOM 0 HA ASN A 68 16.540 8.420 11.972 1.00 45.41 H new ATOM 0 HB2 ASN A 68 15.906 11.388 11.913 1.00 53.20 H new ATOM 0 HB3 ASN A 68 16.962 10.656 10.721 1.00 53.20 H new ATOM 0 HD21 ASN A 68 13.005 10.534 10.162 1.00 22.35 H new ATOM 0 HD22 ASN A 68 13.867 11.627 11.249 1.00 22.35 H new ATOM 996 N ASN A 69 18.952 9.486 11.974 1.00 63.03 N ATOM 997 CA ASN A 69 20.360 9.717 12.277 1.00 60.31 C ATOM 998 C ASN A 69 20.914 8.608 13.166 1.00 31.41 C ATOM 999 O ASN A 69 22.054 8.677 13.623 1.00 64.43 O ATOM 1000 CB ASN A 69 20.540 11.073 12.962 1.00 20.21 C ATOM 1001 CG ASN A 69 21.860 11.729 12.608 1.00 44.15 C ATOM 1002 OD1 ASN A 69 22.786 11.070 12.133 1.00 0.53 O ATOM 1003 ND2 ASN A 69 21.953 13.034 12.837 1.00 72.12 N ATOM 0 H ASN A 69 18.773 9.162 11.024 1.00 63.03 H new ATOM 0 HA ASN A 69 20.913 9.716 11.338 1.00 60.31 H new ATOM 0 HB2 ASN A 69 19.721 11.733 12.676 1.00 20.21 H new ATOM 0 HB3 ASN A 69 20.481 10.942 14.042 1.00 20.21 H new ATOM 0 HD21 ASN A 69 22.817 13.530 12.618 1.00 72.12 H new ATOM 0 HD22 ASN A 69 21.160 13.540 13.232 1.00 72.12 H new ATOM 1010 N GLU A 70 20.098 7.586 13.407 1.00 53.15 N ATOM 1011 CA GLU A 70 20.507 6.463 14.241 1.00 34.42 C ATOM 1012 C GLU A 70 20.288 5.138 13.516 1.00 61.03 C ATOM 1013 O GLU A 70 19.155 4.762 13.215 1.00 41.21 O ATOM 1014 CB GLU A 70 19.730 6.469 15.560 1.00 60.34 C ATOM 1015 CG GLU A 70 18.467 5.625 15.526 1.00 61.50 C ATOM 1016 CD GLU A 70 17.635 5.769 16.786 1.00 63.14 C ATOM 1017 OE1 GLU A 70 17.156 6.891 17.054 1.00 73.52 O ATOM 1018 OE2 GLU A 70 17.464 4.761 17.503 1.00 50.31 O ATOM 0 H GLU A 70 19.150 7.513 13.036 1.00 53.15 H new ATOM 0 HA GLU A 70 21.571 6.570 14.453 1.00 34.42 H new ATOM 0 HB2 GLU A 70 20.379 6.104 16.356 1.00 60.34 H new ATOM 0 HB3 GLU A 70 19.464 7.496 15.811 1.00 60.34 H new ATOM 0 HG2 GLU A 70 17.866 5.912 14.663 1.00 61.50 H new ATOM 0 HG3 GLU A 70 18.738 4.578 15.392 1.00 61.50 H new ATOM 1025 N SER A 71 21.381 4.435 13.237 1.00 4.12 N ATOM 1026 CA SER A 71 21.311 3.155 12.543 1.00 33.41 C ATOM 1027 C SER A 71 22.313 2.164 13.128 1.00 71.13 C ATOM 1028 O SER A 71 23.118 2.515 13.991 1.00 42.11 O ATOM 1029 CB SER A 71 21.577 3.345 11.049 1.00 42.23 C ATOM 1030 OG SER A 71 20.797 4.405 10.523 1.00 71.34 O ATOM 0 H SER A 71 22.326 4.731 13.481 1.00 4.12 H new ATOM 0 HA SER A 71 20.307 2.752 12.677 1.00 33.41 H new ATOM 0 HB2 SER A 71 22.635 3.553 10.888 1.00 42.23 H new ATOM 0 HB3 SER A 71 21.349 2.422 10.516 1.00 42.23 H new ATOM 0 HG SER A 71 21.096 5.254 10.910 1.00 71.34 H new ATOM 1036 N CYS A 72 22.257 0.925 12.651 1.00 11.24 N ATOM 1037 CA CYS A 72 23.159 -0.118 13.126 1.00 33.25 C ATOM 1038 C CYS A 72 24.036 -0.636 11.992 1.00 65.31 C ATOM 1039 O CYS A 72 23.659 -0.570 10.822 1.00 44.10 O ATOM 1040 CB CYS A 72 22.361 -1.271 13.738 1.00 60.14 C ATOM 1041 SG CYS A 72 22.979 -1.827 15.343 1.00 1.45 S ATOM 0 H CYS A 72 21.597 0.619 11.936 1.00 11.24 H new ATOM 0 HA CYS A 72 23.804 0.314 13.891 1.00 33.25 H new ATOM 0 HB2 CYS A 72 21.322 -0.961 13.849 1.00 60.14 H new ATOM 0 HB3 CYS A 72 22.371 -2.113 13.046 1.00 60.14 H new ATOM 0 HG CYS A 72 22.238 -2.802 15.779 1.00 1.45 H new ATOM 1047 N SER A 73 25.210 -1.151 12.346 1.00 52.40 N ATOM 1048 CA SER A 73 26.144 -1.675 11.357 1.00 23.10 C ATOM 1049 C SER A 73 26.580 -3.092 11.719 1.00 51.31 C ATOM 1050 O SER A 73 27.321 -3.300 12.680 1.00 41.54 O ATOM 1051 CB SER A 73 27.369 -0.765 11.249 1.00 42.24 C ATOM 1052 OG SER A 73 27.599 -0.073 12.464 1.00 45.24 O ATOM 0 H SER A 73 25.536 -1.216 13.310 1.00 52.40 H new ATOM 0 HA SER A 73 25.636 -1.704 10.393 1.00 23.10 H new ATOM 0 HB2 SER A 73 28.246 -1.360 10.994 1.00 42.24 H new ATOM 0 HB3 SER A 73 27.223 -0.048 10.441 1.00 42.24 H new ATOM 0 HG SER A 73 28.388 0.500 12.370 1.00 45.24 H new ATOM 1058 N VAL A 74 26.114 -4.064 10.942 1.00 75.22 N ATOM 1059 CA VAL A 74 26.455 -5.462 11.178 1.00 13.23 C ATOM 1060 C VAL A 74 26.461 -6.254 9.876 1.00 42.13 C ATOM 1061 O VAL A 74 25.755 -5.913 8.926 1.00 24.35 O ATOM 1062 CB VAL A 74 25.470 -6.121 12.162 1.00 21.23 C ATOM 1063 CG1 VAL A 74 25.934 -7.525 12.522 1.00 53.51 C ATOM 1064 CG2 VAL A 74 25.313 -5.266 13.411 1.00 72.42 C ATOM 0 H VAL A 74 25.499 -3.909 10.143 1.00 75.22 H new ATOM 0 HA VAL A 74 27.455 -5.475 11.612 1.00 13.23 H new ATOM 0 HB VAL A 74 24.497 -6.199 11.678 1.00 21.23 H new ATOM 0 HG11 VAL A 74 25.226 -7.975 13.218 1.00 53.51 H new ATOM 0 HG12 VAL A 74 25.991 -8.132 11.619 1.00 53.51 H new ATOM 0 HG13 VAL A 74 26.918 -7.475 12.988 1.00 53.51 H new ATOM 0 HG21 VAL A 74 24.614 -5.746 14.095 1.00 72.42 H new ATOM 0 HG22 VAL A 74 26.281 -5.155 13.900 1.00 72.42 H new ATOM 0 HG23 VAL A 74 24.932 -4.283 13.134 1.00 72.42 H new ATOM 1074 N SER A 75 27.263 -7.313 9.838 1.00 61.43 N ATOM 1075 CA SER A 75 27.364 -8.153 8.650 1.00 64.21 C ATOM 1076 C SER A 75 26.188 -9.121 8.567 1.00 52.33 C ATOM 1077 O SER A 75 26.153 -10.134 9.264 1.00 61.44 O ATOM 1078 CB SER A 75 28.681 -8.933 8.662 1.00 53.15 C ATOM 1079 OG SER A 75 28.728 -9.838 9.751 1.00 12.21 O ATOM 0 H SER A 75 27.852 -7.610 10.616 1.00 61.43 H new ATOM 0 HA SER A 75 27.341 -7.505 7.774 1.00 64.21 H new ATOM 0 HB2 SER A 75 28.792 -9.480 7.726 1.00 53.15 H new ATOM 0 HB3 SER A 75 29.518 -8.238 8.726 1.00 53.15 H new ATOM 0 HG SER A 75 27.818 -10.113 9.987 1.00 12.21 H new ATOM 1085 N ALA A 76 25.225 -8.799 7.709 1.00 61.33 N ATOM 1086 CA ALA A 76 24.047 -9.640 7.532 1.00 45.22 C ATOM 1087 C ALA A 76 24.334 -10.793 6.576 1.00 4.20 C ATOM 1088 O ALA A 76 25.064 -10.634 5.598 1.00 3.21 O ATOM 1089 CB ALA A 76 22.878 -8.810 7.024 1.00 11.52 C ATOM 0 H ALA A 76 25.237 -7.962 7.126 1.00 61.33 H new ATOM 0 HA ALA A 76 23.784 -10.063 8.502 1.00 45.22 H new ATOM 0 HB1 ALA A 76 22.005 -9.450 6.896 1.00 11.52 H new ATOM 0 HB2 ALA A 76 22.649 -8.024 7.744 1.00 11.52 H new ATOM 0 HB3 ALA A 76 23.140 -8.359 6.067 1.00 11.52 H new ATOM 1095 N ALA A 77 23.756 -11.954 6.866 1.00 11.40 N ATOM 1096 CA ALA A 77 23.949 -13.133 6.031 1.00 11.13 C ATOM 1097 C ALA A 77 22.697 -13.439 5.215 1.00 4.43 C ATOM 1098 O ALA A 77 21.569 -13.273 5.679 1.00 70.01 O ATOM 1099 CB ALA A 77 24.327 -14.331 6.890 1.00 43.15 C ATOM 0 H ALA A 77 23.150 -12.103 7.673 1.00 11.40 H new ATOM 0 HA ALA A 77 24.763 -12.926 5.336 1.00 11.13 H new ATOM 0 HB1 ALA A 77 24.468 -15.205 6.254 1.00 43.15 H new ATOM 0 HB2 ALA A 77 25.253 -14.118 7.424 1.00 43.15 H new ATOM 0 HB3 ALA A 77 23.531 -14.530 7.608 1.00 43.15 H new ATOM 1105 N PRO A 78 22.899 -13.895 3.970 1.00 13.12 N ATOM 1106 CA PRO A 78 21.798 -14.233 3.063 1.00 33.03 C ATOM 1107 C PRO A 78 21.046 -15.484 3.505 1.00 10.13 C ATOM 1108 O PRO A 78 21.642 -16.428 4.021 1.00 21.33 O ATOM 1109 CB PRO A 78 22.502 -14.477 1.726 1.00 13.31 C ATOM 1110 CG PRO A 78 23.889 -14.875 2.095 1.00 0.44 C ATOM 1111 CD PRO A 78 24.217 -14.116 3.352 1.00 73.41 C ATOM 0 HA PRO A 78 21.044 -13.446 3.026 1.00 33.03 H new ATOM 0 HB2 PRO A 78 22.004 -15.260 1.154 1.00 13.31 H new ATOM 0 HB3 PRO A 78 22.499 -13.579 1.107 1.00 13.31 H new ATOM 0 HG2 PRO A 78 23.956 -15.950 2.260 1.00 0.44 H new ATOM 0 HG3 PRO A 78 24.590 -14.631 1.297 1.00 0.44 H new ATOM 0 HD2 PRO A 78 24.877 -14.687 4.006 1.00 73.41 H new ATOM 0 HD3 PRO A 78 24.721 -13.175 3.133 1.00 73.41 H new ATOM 1119 N GLY A 79 19.732 -15.483 3.299 1.00 24.50 N ATOM 1120 CA GLY A 79 18.921 -16.624 3.682 1.00 60.11 C ATOM 1121 C GLY A 79 17.790 -16.243 4.616 1.00 33.41 C ATOM 1122 O GLY A 79 16.787 -16.952 4.712 1.00 63.50 O ATOM 0 H GLY A 79 19.215 -14.713 2.874 1.00 24.50 H new ATOM 0 HA2 GLY A 79 18.508 -17.089 2.787 1.00 60.11 H new ATOM 0 HA3 GLY A 79 19.553 -17.369 4.166 1.00 60.11 H new ATOM 1126 N THR A 80 17.949 -15.120 5.310 1.00 62.34 N ATOM 1127 CA THR A 80 16.935 -14.648 6.243 1.00 13.21 C ATOM 1128 C THR A 80 16.371 -13.300 5.807 1.00 71.41 C ATOM 1129 O THR A 80 17.119 -12.376 5.488 1.00 3.33 O ATOM 1130 CB THR A 80 17.501 -14.517 7.670 1.00 43.15 C ATOM 1131 OG1 THR A 80 18.138 -15.739 8.058 1.00 72.41 O ATOM 1132 CG2 THR A 80 16.399 -14.176 8.661 1.00 74.34 C ATOM 0 H THR A 80 18.772 -14.521 5.243 1.00 62.34 H new ATOM 0 HA THR A 80 16.137 -15.390 6.243 1.00 13.21 H new ATOM 0 HB THR A 80 18.233 -13.709 7.674 1.00 43.15 H new ATOM 0 HG1 THR A 80 18.497 -15.647 8.965 1.00 72.41 H new ATOM 0 HG21 THR A 80 16.823 -14.089 9.661 1.00 74.34 H new ATOM 0 HG22 THR A 80 15.936 -13.230 8.379 1.00 74.34 H new ATOM 0 HG23 THR A 80 15.646 -14.964 8.654 1.00 74.34 H new ATOM 1140 N THR A 81 15.046 -13.194 5.795 1.00 73.41 N ATOM 1141 CA THR A 81 14.381 -11.960 5.397 1.00 3.32 C ATOM 1142 C THR A 81 14.497 -10.898 6.485 1.00 30.11 C ATOM 1143 O THR A 81 14.322 -11.187 7.669 1.00 31.01 O ATOM 1144 CB THR A 81 12.892 -12.198 5.085 1.00 30.51 C ATOM 1145 OG1 THR A 81 12.748 -13.332 4.223 1.00 71.44 O ATOM 1146 CG2 THR A 81 12.274 -10.974 4.428 1.00 14.43 C ATOM 0 H THR A 81 14.412 -13.949 6.057 1.00 73.41 H new ATOM 0 HA THR A 81 14.881 -11.609 4.494 1.00 3.32 H new ATOM 0 HB THR A 81 12.372 -12.387 6.024 1.00 30.51 H new ATOM 0 HG1 THR A 81 11.798 -13.478 4.030 1.00 71.44 H new ATOM 0 HG21 THR A 81 11.222 -11.166 4.217 1.00 14.43 H new ATOM 0 HG22 THR A 81 12.359 -10.119 5.099 1.00 14.43 H new ATOM 0 HG23 THR A 81 12.797 -10.758 3.496 1.00 14.43 H new ATOM 1154 N TYR A 82 14.792 -9.669 6.077 1.00 70.03 N ATOM 1155 CA TYR A 82 14.933 -8.564 7.018 1.00 74.14 C ATOM 1156 C TYR A 82 13.733 -7.625 6.938 1.00 10.20 C ATOM 1157 O TYR A 82 13.060 -7.543 5.910 1.00 63.43 O ATOM 1158 CB TYR A 82 16.221 -7.789 6.737 1.00 10.22 C ATOM 1159 CG TYR A 82 17.475 -8.538 7.126 1.00 64.33 C ATOM 1160 CD1 TYR A 82 17.757 -8.817 8.457 1.00 31.54 C ATOM 1161 CD2 TYR A 82 18.379 -8.966 6.161 1.00 25.35 C ATOM 1162 CE1 TYR A 82 18.902 -9.501 8.817 1.00 20.43 C ATOM 1163 CE2 TYR A 82 19.526 -9.652 6.512 1.00 43.00 C ATOM 1164 CZ TYR A 82 19.783 -9.917 7.841 1.00 43.10 C ATOM 1165 OH TYR A 82 20.925 -10.598 8.194 1.00 23.53 O ATOM 0 H TYR A 82 14.938 -9.413 5.101 1.00 70.03 H new ATOM 0 HA TYR A 82 14.980 -8.980 8.024 1.00 74.14 H new ATOM 0 HB2 TYR A 82 16.266 -7.549 5.675 1.00 10.22 H new ATOM 0 HB3 TYR A 82 16.191 -6.843 7.277 1.00 10.22 H new ATOM 0 HD1 TYR A 82 17.069 -8.494 9.224 1.00 31.54 H new ATOM 0 HD2 TYR A 82 18.182 -8.759 5.120 1.00 25.35 H new ATOM 0 HE1 TYR A 82 19.106 -9.709 9.857 1.00 20.43 H new ATOM 0 HE2 TYR A 82 20.218 -9.979 5.750 1.00 43.00 H new ATOM 0 HH TYR A 82 21.001 -11.411 7.653 1.00 23.53 H new ATOM 1175 N HIS A 83 13.471 -6.916 8.032 1.00 61.13 N ATOM 1176 CA HIS A 83 12.353 -5.980 8.087 1.00 64.50 C ATOM 1177 C HIS A 83 12.784 -4.656 8.709 1.00 2.31 C ATOM 1178 O HIS A 83 13.805 -4.582 9.394 1.00 74.31 O ATOM 1179 CB HIS A 83 11.197 -6.581 8.887 1.00 23.02 C ATOM 1180 CG HIS A 83 10.540 -7.744 8.209 1.00 1.24 C ATOM 1181 ND1 HIS A 83 11.201 -8.919 7.921 1.00 4.03 N ATOM 1182 CD2 HIS A 83 9.273 -7.908 7.764 1.00 75.11 C ATOM 1183 CE1 HIS A 83 10.370 -9.755 7.326 1.00 35.23 C ATOM 1184 NE2 HIS A 83 9.192 -9.166 7.219 1.00 22.12 N ATOM 0 H HIS A 83 14.017 -6.972 8.892 1.00 61.13 H new ATOM 0 HA HIS A 83 12.019 -5.790 7.067 1.00 64.50 H new ATOM 0 HB2 HIS A 83 11.568 -6.901 9.861 1.00 23.02 H new ATOM 0 HB3 HIS A 83 10.451 -5.808 9.068 1.00 23.02 H new ATOM 0 HD2 HIS A 83 8.474 -7.184 7.826 1.00 75.11 H new ATOM 0 HE1 HIS A 83 10.612 -10.751 6.985 1.00 35.23 H new ATOM 0 HE2 HIS A 83 8.358 -9.578 6.800 1.00 22.12 H new ATOM 1192 N VAL A 84 12.000 -3.610 8.466 1.00 61.24 N ATOM 1193 CA VAL A 84 12.300 -2.288 9.002 1.00 21.10 C ATOM 1194 C VAL A 84 11.046 -1.623 9.557 1.00 12.31 C ATOM 1195 O VAL A 84 9.977 -1.687 8.951 1.00 71.02 O ATOM 1196 CB VAL A 84 12.921 -1.374 7.928 1.00 35.45 C ATOM 1197 CG1 VAL A 84 12.785 0.087 8.328 1.00 52.14 C ATOM 1198 CG2 VAL A 84 14.379 -1.739 7.697 1.00 21.11 C ATOM 0 H VAL A 84 11.152 -3.653 7.901 1.00 61.24 H new ATOM 0 HA VAL A 84 13.020 -2.429 9.808 1.00 21.10 H new ATOM 0 HB VAL A 84 12.381 -1.522 6.993 1.00 35.45 H new ATOM 0 HG11 VAL A 84 13.229 0.718 7.558 1.00 52.14 H new ATOM 0 HG12 VAL A 84 11.730 0.337 8.438 1.00 52.14 H new ATOM 0 HG13 VAL A 84 13.299 0.254 9.275 1.00 52.14 H new ATOM 0 HG21 VAL A 84 14.802 -1.084 6.936 1.00 21.11 H new ATOM 0 HG22 VAL A 84 14.935 -1.621 8.627 1.00 21.11 H new ATOM 0 HG23 VAL A 84 14.446 -2.774 7.363 1.00 21.11 H new ATOM 1208 N MET A 85 11.184 -0.983 10.714 1.00 65.02 N ATOM 1209 CA MET A 85 10.062 -0.304 11.350 1.00 0.42 C ATOM 1210 C MET A 85 10.383 1.168 11.590 1.00 13.32 C ATOM 1211 O MET A 85 11.360 1.498 12.263 1.00 41.34 O ATOM 1212 CB MET A 85 9.711 -0.984 12.675 1.00 42.31 C ATOM 1213 CG MET A 85 8.235 -0.902 13.028 1.00 51.12 C ATOM 1214 SD MET A 85 7.821 0.596 13.943 1.00 64.22 S ATOM 1215 CE MET A 85 6.153 0.896 13.365 1.00 40.14 C ATOM 0 H MET A 85 12.062 -0.921 11.230 1.00 65.02 H new ATOM 0 HA MET A 85 9.205 -0.366 10.680 1.00 0.42 H new ATOM 0 HB2 MET A 85 10.007 -2.032 12.626 1.00 42.31 H new ATOM 0 HB3 MET A 85 10.293 -0.526 13.474 1.00 42.31 H new ATOM 0 HG2 MET A 85 7.644 -0.939 12.113 1.00 51.12 H new ATOM 0 HG3 MET A 85 7.958 -1.774 13.621 1.00 51.12 H new ATOM 0 HE1 MET A 85 5.758 1.793 13.842 1.00 40.14 H new ATOM 0 HE2 MET A 85 6.162 1.034 12.284 1.00 40.14 H new ATOM 0 HE3 MET A 85 5.522 0.044 13.616 1.00 40.14 H new ATOM 1225 N ILE A 86 9.555 2.048 11.036 1.00 34.55 N ATOM 1226 CA ILE A 86 9.751 3.484 11.192 1.00 74.53 C ATOM 1227 C ILE A 86 8.749 4.071 12.180 1.00 3.41 C ATOM 1228 O ILE A 86 7.547 4.109 11.915 1.00 5.42 O ATOM 1229 CB ILE A 86 9.618 4.219 9.845 1.00 74.31 C ATOM 1230 CG1 ILE A 86 10.485 3.542 8.782 1.00 61.13 C ATOM 1231 CG2 ILE A 86 10.005 5.682 10.000 1.00 71.24 C ATOM 1232 CD1 ILE A 86 11.969 3.662 9.047 1.00 45.33 C ATOM 0 H ILE A 86 8.742 1.792 10.475 1.00 34.55 H new ATOM 0 HA ILE A 86 10.761 3.625 11.576 1.00 74.53 H new ATOM 0 HB ILE A 86 8.578 4.171 9.522 1.00 74.31 H new ATOM 0 HG12 ILE A 86 10.218 2.487 8.725 1.00 61.13 H new ATOM 0 HG13 ILE A 86 10.261 3.980 7.809 1.00 61.13 H new ATOM 0 HG21 ILE A 86 9.906 6.188 9.040 1.00 71.24 H new ATOM 0 HG22 ILE A 86 9.349 6.157 10.730 1.00 71.24 H new ATOM 0 HG23 ILE A 86 11.038 5.751 10.342 1.00 71.24 H new ATOM 0 HD11 ILE A 86 12.522 3.159 8.254 1.00 45.33 H new ATOM 0 HD12 ILE A 86 12.250 4.715 9.074 1.00 45.33 H new ATOM 0 HD13 ILE A 86 12.206 3.198 10.005 1.00 45.33 H new ATOM 1244 N LYS A 87 9.252 4.531 13.321 1.00 44.13 N ATOM 1245 CA LYS A 87 8.404 5.121 14.349 1.00 32.12 C ATOM 1246 C LYS A 87 8.774 6.581 14.589 1.00 25.01 C ATOM 1247 O LYS A 87 9.782 6.879 15.229 1.00 22.40 O ATOM 1248 CB LYS A 87 8.526 4.332 15.655 1.00 72.44 C ATOM 1249 CG LYS A 87 7.203 4.140 16.375 1.00 33.33 C ATOM 1250 CD LYS A 87 6.738 5.425 17.040 1.00 61.12 C ATOM 1251 CE LYS A 87 5.491 5.980 16.369 1.00 33.42 C ATOM 1252 NZ LYS A 87 4.253 5.317 16.865 1.00 30.32 N ATOM 0 H LYS A 87 10.244 4.506 13.557 1.00 44.13 H new ATOM 0 HA LYS A 87 7.372 5.079 14.001 1.00 32.12 H new ATOM 0 HB2 LYS A 87 8.958 3.355 15.440 1.00 72.44 H new ATOM 0 HB3 LYS A 87 9.220 4.849 16.318 1.00 72.44 H new ATOM 0 HG2 LYS A 87 6.447 3.802 15.666 1.00 33.33 H new ATOM 0 HG3 LYS A 87 7.307 3.357 17.127 1.00 33.33 H new ATOM 0 HD2 LYS A 87 6.532 5.237 18.094 1.00 61.12 H new ATOM 0 HD3 LYS A 87 7.536 6.167 16.998 1.00 61.12 H new ATOM 0 HE2 LYS A 87 5.427 7.053 16.552 1.00 33.42 H new ATOM 0 HE3 LYS A 87 5.568 5.845 15.290 1.00 33.42 H new ATOM 0 HZ1 LYS A 87 3.920 4.630 16.159 1.00 30.32 H new ATOM 0 HZ2 LYS A 87 4.457 4.824 17.758 1.00 30.32 H new ATOM 0 HZ3 LYS A 87 3.516 6.033 17.025 1.00 30.32 H new ATOM 1266 N GLY A 88 7.952 7.489 14.072 1.00 33.41 N ATOM 1267 CA GLY A 88 8.210 8.906 14.242 1.00 10.54 C ATOM 1268 C GLY A 88 7.699 9.434 15.568 1.00 33.34 C ATOM 1269 O GLY A 88 6.841 8.817 16.200 1.00 14.14 O ATOM 0 H GLY A 88 7.111 7.268 13.538 1.00 33.41 H new ATOM 0 HA2 GLY A 88 9.282 9.088 14.171 1.00 10.54 H new ATOM 0 HA3 GLY A 88 7.739 9.458 13.429 1.00 10.54 H new ATOM 1273 N TYR A 89 8.227 10.576 15.992 1.00 3.32 N ATOM 1274 CA TYR A 89 7.822 11.184 17.254 1.00 42.30 C ATOM 1275 C TYR A 89 7.145 12.531 17.017 1.00 34.53 C ATOM 1276 O TYR A 89 6.439 13.044 17.886 1.00 44.44 O ATOM 1277 CB TYR A 89 9.034 11.365 18.170 1.00 62.24 C ATOM 1278 CG TYR A 89 9.266 10.199 19.104 1.00 11.13 C ATOM 1279 CD1 TYR A 89 9.141 8.889 18.658 1.00 51.42 C ATOM 1280 CD2 TYR A 89 9.611 10.408 20.434 1.00 30.30 C ATOM 1281 CE1 TYR A 89 9.351 7.822 19.509 1.00 71.44 C ATOM 1282 CE2 TYR A 89 9.824 9.346 21.292 1.00 64.24 C ATOM 1283 CZ TYR A 89 9.693 8.055 20.824 1.00 34.24 C ATOM 1284 OH TYR A 89 9.904 6.994 21.675 1.00 61.33 O ATOM 0 H TYR A 89 8.937 11.100 15.480 1.00 3.32 H new ATOM 0 HA TYR A 89 7.107 10.517 17.736 1.00 42.30 H new ATOM 0 HB2 TYR A 89 9.923 11.511 17.557 1.00 62.24 H new ATOM 0 HB3 TYR A 89 8.901 12.272 18.760 1.00 62.24 H new ATOM 0 HD1 TYR A 89 8.875 8.702 17.628 1.00 51.42 H new ATOM 0 HD2 TYR A 89 9.714 11.418 20.803 1.00 30.30 H new ATOM 0 HE1 TYR A 89 9.248 6.810 19.146 1.00 71.44 H new ATOM 0 HE2 TYR A 89 10.091 9.526 22.323 1.00 64.24 H new ATOM 0 HH TYR A 89 10.138 7.330 22.565 1.00 61.33 H new ATOM 1294 N SER A 90 7.364 13.096 15.835 1.00 53.14 N ATOM 1295 CA SER A 90 6.778 14.384 15.483 1.00 54.12 C ATOM 1296 C SER A 90 6.898 14.645 13.984 1.00 24.15 C ATOM 1297 O SER A 90 7.945 14.405 13.384 1.00 31.11 O ATOM 1298 CB SER A 90 7.459 15.509 16.264 1.00 22.13 C ATOM 1299 OG SER A 90 8.776 15.733 15.792 1.00 63.23 O ATOM 0 H SER A 90 7.943 12.682 15.104 1.00 53.14 H new ATOM 0 HA SER A 90 5.721 14.357 15.746 1.00 54.12 H new ATOM 0 HB2 SER A 90 6.876 16.425 16.171 1.00 22.13 H new ATOM 0 HB3 SER A 90 7.487 15.255 17.324 1.00 22.13 H new ATOM 0 HG SER A 90 9.189 16.458 16.306 1.00 63.23 H new ATOM 1305 N ASN A 91 5.818 15.138 13.387 1.00 4.21 N ATOM 1306 CA ASN A 91 5.802 15.432 11.959 1.00 72.54 C ATOM 1307 C ASN A 91 7.171 15.910 11.486 1.00 50.52 C ATOM 1308 O ASN A 91 7.596 17.021 11.804 1.00 13.42 O ATOM 1309 CB ASN A 91 4.743 16.491 11.647 1.00 72.24 C ATOM 1310 CG ASN A 91 4.595 16.740 10.158 1.00 62.20 C ATOM 1311 OD1 ASN A 91 4.708 15.819 9.349 1.00 32.31 O ATOM 1312 ND2 ASN A 91 4.342 17.990 9.790 1.00 50.33 N ATOM 0 H ASN A 91 4.943 15.342 13.870 1.00 4.21 H new ATOM 0 HA ASN A 91 5.555 14.513 11.427 1.00 72.54 H new ATOM 0 HB2 ASN A 91 3.784 16.174 12.057 1.00 72.24 H new ATOM 0 HB3 ASN A 91 5.009 17.424 12.144 1.00 72.24 H new ATOM 0 HD21 ASN A 91 4.233 18.219 8.802 1.00 50.33 H new ATOM 0 HD22 ASN A 91 4.256 18.722 10.495 1.00 50.33 H new ATOM 1319 N TYR A 92 7.856 15.065 10.724 1.00 44.40 N ATOM 1320 CA TYR A 92 9.178 15.401 10.208 1.00 3.13 C ATOM 1321 C TYR A 92 9.540 14.516 9.020 1.00 63.05 C ATOM 1322 O TYR A 92 9.734 13.309 9.166 1.00 42.31 O ATOM 1323 CB TYR A 92 10.231 15.252 11.308 1.00 12.23 C ATOM 1324 CG TYR A 92 11.430 16.154 11.125 1.00 44.14 C ATOM 1325 CD1 TYR A 92 12.285 15.995 10.041 1.00 72.13 C ATOM 1326 CD2 TYR A 92 11.709 17.167 12.035 1.00 74.52 C ATOM 1327 CE1 TYR A 92 13.382 16.816 9.870 1.00 42.14 C ATOM 1328 CE2 TYR A 92 12.803 17.994 11.871 1.00 61.51 C ATOM 1329 CZ TYR A 92 13.637 17.814 10.787 1.00 1.00 C ATOM 1330 OH TYR A 92 14.728 18.635 10.619 1.00 5.23 O ATOM 0 H TYR A 92 7.518 14.142 10.450 1.00 44.40 H new ATOM 0 HA TYR A 92 9.156 16.438 9.873 1.00 3.13 H new ATOM 0 HB2 TYR A 92 9.770 15.466 12.272 1.00 12.23 H new ATOM 0 HB3 TYR A 92 10.568 14.216 11.339 1.00 12.23 H new ATOM 0 HD1 TYR A 92 12.088 15.216 9.320 1.00 72.13 H new ATOM 0 HD2 TYR A 92 11.059 17.310 12.885 1.00 74.52 H new ATOM 0 HE1 TYR A 92 14.037 16.677 9.023 1.00 42.14 H new ATOM 0 HE2 TYR A 92 13.004 18.777 12.587 1.00 61.51 H new ATOM 0 HH TYR A 92 14.764 19.286 11.351 1.00 5.23 H new ATOM 1340 N SER A 93 9.630 15.126 7.842 1.00 70.21 N ATOM 1341 CA SER A 93 9.966 14.394 6.626 1.00 55.21 C ATOM 1342 C SER A 93 11.253 14.930 6.007 1.00 10.22 C ATOM 1343 O SER A 93 11.707 16.024 6.341 1.00 72.03 O ATOM 1344 CB SER A 93 8.821 14.491 5.615 1.00 44.41 C ATOM 1345 OG SER A 93 8.359 15.826 5.494 1.00 23.44 O ATOM 0 H SER A 93 9.475 16.125 7.704 1.00 70.21 H new ATOM 0 HA SER A 93 10.120 13.348 6.891 1.00 55.21 H new ATOM 0 HB2 SER A 93 9.158 14.130 4.643 1.00 44.41 H new ATOM 0 HB3 SER A 93 8.000 13.846 5.928 1.00 44.41 H new ATOM 0 HG SER A 93 7.629 15.862 4.841 1.00 23.44 H new ATOM 1351 N GLY A 94 11.837 14.150 5.103 1.00 42.13 N ATOM 1352 CA GLY A 94 13.067 14.562 4.451 1.00 33.11 C ATOM 1353 C GLY A 94 14.257 13.725 4.876 1.00 33.32 C ATOM 1354 O GLY A 94 15.397 14.187 4.834 1.00 20.13 O ATOM 0 H GLY A 94 11.481 13.240 4.810 1.00 42.13 H new ATOM 0 HA2 GLY A 94 12.943 14.490 3.370 1.00 33.11 H new ATOM 0 HA3 GLY A 94 13.263 15.609 4.680 1.00 33.11 H new ATOM 1358 N VAL A 95 13.992 12.489 5.289 1.00 50.14 N ATOM 1359 CA VAL A 95 15.050 11.585 5.724 1.00 10.30 C ATOM 1360 C VAL A 95 15.189 10.402 4.772 1.00 14.43 C ATOM 1361 O VAL A 95 14.207 9.944 4.186 1.00 24.10 O ATOM 1362 CB VAL A 95 14.787 11.057 7.147 1.00 52.22 C ATOM 1363 CG1 VAL A 95 16.034 10.393 7.709 1.00 22.02 C ATOM 1364 CG2 VAL A 95 14.318 12.184 8.055 1.00 55.15 C ATOM 0 H VAL A 95 13.054 12.091 5.331 1.00 50.14 H new ATOM 0 HA VAL A 95 15.977 12.159 5.723 1.00 10.30 H new ATOM 0 HB VAL A 95 13.997 10.308 7.098 1.00 52.22 H new ATOM 0 HG11 VAL A 95 15.829 10.026 8.715 1.00 22.02 H new ATOM 0 HG12 VAL A 95 16.321 9.558 7.070 1.00 22.02 H new ATOM 0 HG13 VAL A 95 16.847 11.118 7.746 1.00 22.02 H new ATOM 0 HG21 VAL A 95 14.137 11.793 9.056 1.00 55.15 H new ATOM 0 HG22 VAL A 95 15.085 12.957 8.101 1.00 55.15 H new ATOM 0 HG23 VAL A 95 13.396 12.610 7.660 1.00 55.15 H new ATOM 1374 N THR A 96 16.415 9.911 4.623 1.00 73.34 N ATOM 1375 CA THR A 96 16.683 8.781 3.742 1.00 51.14 C ATOM 1376 C THR A 96 16.887 7.498 4.539 1.00 4.21 C ATOM 1377 O THR A 96 17.825 7.390 5.330 1.00 23.51 O ATOM 1378 CB THR A 96 17.926 9.033 2.868 1.00 24.11 C ATOM 1379 OG1 THR A 96 17.973 10.407 2.466 1.00 20.45 O ATOM 1380 CG2 THR A 96 17.913 8.139 1.637 1.00 52.51 C ATOM 0 H THR A 96 17.238 10.278 5.101 1.00 73.34 H new ATOM 0 HA THR A 96 15.811 8.669 3.097 1.00 51.14 H new ATOM 0 HB THR A 96 18.811 8.798 3.459 1.00 24.11 H new ATOM 0 HG1 THR A 96 18.767 10.559 1.912 1.00 20.45 H new ATOM 0 HG21 THR A 96 18.801 8.335 1.035 1.00 52.51 H new ATOM 0 HG22 THR A 96 17.908 7.094 1.946 1.00 52.51 H new ATOM 0 HG23 THR A 96 17.021 8.347 1.046 1.00 52.51 H new ATOM 1388 N LEU A 97 16.005 6.528 4.326 1.00 1.14 N ATOM 1389 CA LEU A 97 16.089 5.250 5.025 1.00 4.55 C ATOM 1390 C LEU A 97 16.736 4.188 4.142 1.00 15.02 C ATOM 1391 O LEU A 97 16.246 3.889 3.053 1.00 60.13 O ATOM 1392 CB LEU A 97 14.696 4.791 5.459 1.00 3.22 C ATOM 1393 CG LEU A 97 14.583 3.339 5.924 1.00 72.23 C ATOM 1394 CD1 LEU A 97 14.419 2.408 4.732 1.00 42.41 C ATOM 1395 CD2 LEU A 97 15.801 2.945 6.747 1.00 52.34 C ATOM 0 H LEU A 97 15.223 6.602 3.675 1.00 1.14 H new ATOM 0 HA LEU A 97 16.711 5.388 5.910 1.00 4.55 H new ATOM 0 HB2 LEU A 97 14.358 5.438 6.268 1.00 3.22 H new ATOM 0 HB3 LEU A 97 14.010 4.939 4.625 1.00 3.22 H new ATOM 0 HG LEU A 97 13.699 3.248 6.555 1.00 72.23 H new ATOM 0 HD11 LEU A 97 14.340 1.379 5.082 1.00 42.41 H new ATOM 0 HD12 LEU A 97 13.516 2.675 4.184 1.00 42.41 H new ATOM 0 HD13 LEU A 97 15.284 2.502 4.075 1.00 42.41 H new ATOM 0 HD21 LEU A 97 15.703 1.908 7.069 1.00 52.34 H new ATOM 0 HD22 LEU A 97 16.700 3.053 6.141 1.00 52.34 H new ATOM 0 HD23 LEU A 97 15.874 3.591 7.622 1.00 52.34 H new ATOM 1407 N LYS A 98 17.837 3.619 4.620 1.00 61.12 N ATOM 1408 CA LYS A 98 18.550 2.587 3.876 1.00 34.43 C ATOM 1409 C LYS A 98 18.849 1.384 4.766 1.00 41.22 C ATOM 1410 O LYS A 98 18.938 1.510 5.988 1.00 60.01 O ATOM 1411 CB LYS A 98 19.853 3.149 3.305 1.00 61.24 C ATOM 1412 CG LYS A 98 20.519 2.232 2.293 1.00 31.11 C ATOM 1413 CD LYS A 98 20.069 2.545 0.876 1.00 72.21 C ATOM 1414 CE LYS A 98 18.809 1.776 0.509 1.00 62.55 C ATOM 1415 NZ LYS A 98 18.854 1.275 -0.893 1.00 52.34 N ATOM 0 H LYS A 98 18.255 3.855 5.520 1.00 61.12 H new ATOM 0 HA LYS A 98 17.912 2.260 3.055 1.00 34.43 H new ATOM 0 HB2 LYS A 98 19.648 4.110 2.833 1.00 61.24 H new ATOM 0 HB3 LYS A 98 20.547 3.338 4.124 1.00 61.24 H new ATOM 0 HG2 LYS A 98 21.602 2.336 2.363 1.00 31.11 H new ATOM 0 HG3 LYS A 98 20.283 1.195 2.530 1.00 31.11 H new ATOM 0 HD2 LYS A 98 19.885 3.615 0.780 1.00 72.21 H new ATOM 0 HD3 LYS A 98 20.866 2.295 0.176 1.00 72.21 H new ATOM 0 HE2 LYS A 98 18.685 0.935 1.191 1.00 62.55 H new ATOM 0 HE3 LYS A 98 17.940 2.421 0.637 1.00 62.55 H new ATOM 0 HZ1 LYS A 98 17.964 0.786 -1.116 1.00 52.34 H new ATOM 0 HZ2 LYS A 98 18.981 2.076 -1.544 1.00 52.34 H new ATOM 0 HZ3 LYS A 98 19.649 0.613 -1.000 1.00 52.34 H new ATOM 1429 N LEU A 99 19.005 0.220 4.146 1.00 61.22 N ATOM 1430 CA LEU A 99 19.297 -1.006 4.881 1.00 14.35 C ATOM 1431 C LEU A 99 20.793 -1.140 5.144 1.00 21.22 C ATOM 1432 O LEU A 99 21.614 -0.815 4.287 1.00 4.14 O ATOM 1433 CB LEU A 99 18.792 -2.223 4.104 1.00 3.21 C ATOM 1434 CG LEU A 99 19.761 -3.402 4.001 1.00 54.31 C ATOM 1435 CD1 LEU A 99 19.000 -4.699 3.772 1.00 42.41 C ATOM 1436 CD2 LEU A 99 20.768 -3.168 2.885 1.00 43.02 C ATOM 0 H LEU A 99 18.934 0.099 3.136 1.00 61.22 H new ATOM 0 HA LEU A 99 18.782 -0.957 5.840 1.00 14.35 H new ATOM 0 HB2 LEU A 99 17.873 -2.574 4.574 1.00 3.21 H new ATOM 0 HB3 LEU A 99 18.532 -1.903 3.095 1.00 3.21 H new ATOM 0 HG LEU A 99 20.305 -3.485 4.942 1.00 54.31 H new ATOM 0 HD11 LEU A 99 19.705 -5.527 3.701 1.00 42.41 H new ATOM 0 HD12 LEU A 99 18.319 -4.873 4.605 1.00 42.41 H new ATOM 0 HD13 LEU A 99 18.430 -4.628 2.846 1.00 42.41 H new ATOM 0 HD21 LEU A 99 21.450 -4.017 2.826 1.00 43.02 H new ATOM 0 HD22 LEU A 99 20.242 -3.059 1.937 1.00 43.02 H new ATOM 0 HD23 LEU A 99 21.336 -2.261 3.091 1.00 43.02 H new ATOM 1448 N GLN A 100 21.139 -1.623 6.333 1.00 31.51 N ATOM 1449 CA GLN A 100 22.537 -1.802 6.707 1.00 32.42 C ATOM 1450 C GLN A 100 22.965 -3.256 6.533 1.00 1.24 C ATOM 1451 O GLN A 100 22.489 -4.143 7.242 1.00 14.20 O ATOM 1452 CB GLN A 100 22.759 -1.362 8.155 1.00 25.42 C ATOM 1453 CG GLN A 100 21.718 -1.903 9.122 1.00 5.23 C ATOM 1454 CD GLN A 100 20.502 -1.005 9.232 1.00 2.33 C ATOM 1455 OE1 GLN A 100 19.370 -1.446 9.032 1.00 42.34 O ATOM 1456 NE2 GLN A 100 20.730 0.264 9.553 1.00 73.30 N ATOM 0 H GLN A 100 20.471 -1.897 7.053 1.00 31.51 H new ATOM 0 HA GLN A 100 23.146 -1.182 6.049 1.00 32.42 H new ATOM 0 HB2 GLN A 100 23.747 -1.689 8.478 1.00 25.42 H new ATOM 0 HB3 GLN A 100 22.753 -0.273 8.200 1.00 25.42 H new ATOM 0 HG2 GLN A 100 21.404 -2.894 8.795 1.00 5.23 H new ATOM 0 HG3 GLN A 100 22.169 -2.020 10.107 1.00 5.23 H new ATOM 0 HE21 GLN A 100 21.685 0.587 9.710 1.00 73.30 H new ATOM 0 HE22 GLN A 100 19.950 0.915 9.642 1.00 73.30 H new ATOM 1465 N TYR A 101 23.866 -3.492 5.587 1.00 62.43 N ATOM 1466 CA TYR A 101 24.357 -4.839 5.318 1.00 52.02 C ATOM 1467 C TYR A 101 25.839 -4.957 5.658 1.00 3.30 C ATOM 1468 O TYR A 101 26.249 -5.857 6.388 1.00 33.44 O ATOM 1469 CB TYR A 101 24.128 -5.204 3.850 1.00 3.01 C ATOM 1470 CG TYR A 101 24.888 -4.326 2.882 1.00 4.53 C ATOM 1471 CD1 TYR A 101 24.465 -3.030 2.610 1.00 71.43 C ATOM 1472 CD2 TYR A 101 26.029 -4.791 2.240 1.00 40.53 C ATOM 1473 CE1 TYR A 101 25.156 -2.224 1.726 1.00 73.24 C ATOM 1474 CE2 TYR A 101 26.727 -3.991 1.355 1.00 12.04 C ATOM 1475 CZ TYR A 101 26.286 -2.709 1.101 1.00 2.25 C ATOM 1476 OH TYR A 101 26.978 -1.910 0.220 1.00 13.31 O ATOM 0 H TYR A 101 24.272 -2.769 4.993 1.00 62.43 H new ATOM 0 HA TYR A 101 23.802 -5.533 5.949 1.00 52.02 H new ATOM 0 HB2 TYR A 101 24.421 -6.242 3.693 1.00 3.01 H new ATOM 0 HB3 TYR A 101 23.063 -5.136 3.629 1.00 3.01 H new ATOM 0 HD1 TYR A 101 23.581 -2.647 3.098 1.00 71.43 H new ATOM 0 HD2 TYR A 101 26.376 -5.795 2.436 1.00 40.53 H new ATOM 0 HE1 TYR A 101 24.813 -1.220 1.525 1.00 73.24 H new ATOM 0 HE2 TYR A 101 27.613 -4.368 0.865 1.00 12.04 H new ATOM 0 HH TYR A 101 27.749 -2.402 -0.132 1.00 13.31 H new