USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 704 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 87 ASN : amide:sc= -1.16 K(o=-1.5,f=-1) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.356 K(o=-1.5,f=-1) USER MOD Set 2.1: A 82 GLN : amide:sc= -0.0868 K(o=-1.3,f=-0.13) USER MOD Set 2.2: A 85 GLN : amide:sc= -1.21 K(o=-1.3,f=-0.1) USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 MET CE :methyl 152:sc= 0 (180deg=-0.529) USER MOD Set 4.1: A 36 GLN : amide:sc= 0 X(o=-0.57,f=-0.58) USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -43:sc= 0.0317 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 8 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.31) USER MOD Single : A 9 ASN : amide:sc= -0.0586 K(o=-0.059,f=-0.72) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.017) USER MOD Single : A 54 ASN : amide:sc= 0.896 K(o=0.9,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0.782 K(o=0.78,f=-0.014) USER MOD Single : A 61 SER OG : rot 180:sc= -0.702 USER MOD Single : A 62 MET CE :methyl -149:sc= -0.105 (180deg=-0.72) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 0.541 (180deg=-0.0116) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.89! C(o=-0.89!,f=-2.4!) USER MOD Single : A 68 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 77 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.4) USER MOD Single : A 80 TYR OH : rot 104:sc= 1.35 USER MOD Single : A 84 GLN : amide:sc= -0.686 K(o=-0.69,f=-5.9!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.932 -4.406 26.182 1.00 41.33 N ATOM 2 CA GLY A 1 -26.226 -4.169 24.766 1.00 45.14 C ATOM 3 C GLY A 1 -26.670 -5.470 24.138 1.00 72.33 C ATOM 4 O GLY A 1 -27.831 -5.829 24.315 1.00 31.45 O ATOM 0 H1 GLY A 1 -25.625 -3.517 26.626 1.00 41.33 H new ATOM 0 H2 GLY A 1 -26.787 -4.755 26.660 1.00 41.33 H new ATOM 0 H3 GLY A 1 -25.175 -5.114 26.266 1.00 41.33 H new ATOM 0 HA2 GLY A 1 -27.006 -3.415 24.663 1.00 45.14 H new ATOM 0 HA3 GLY A 1 -25.342 -3.786 24.256 1.00 45.14 H new ATOM 8 N THR A 2 -25.758 -6.211 23.494 1.00 42.20 N ATOM 9 CA THR A 2 -26.090 -7.434 22.752 1.00 41.23 C ATOM 10 C THR A 2 -27.034 -7.076 21.581 1.00 34.24 C ATOM 11 O THR A 2 -28.032 -7.739 21.315 1.00 10.02 O ATOM 12 CB THR A 2 -26.599 -8.519 23.733 1.00 71.31 C ATOM 13 OG1 THR A 2 -25.807 -8.526 24.920 1.00 12.11 O ATOM 14 CG2 THR A 2 -26.548 -9.935 23.161 1.00 23.32 C ATOM 0 H THR A 2 -24.765 -5.978 23.473 1.00 42.20 H new ATOM 0 HA THR A 2 -25.213 -7.881 22.283 1.00 41.23 H new ATOM 0 HB THR A 2 -27.638 -8.257 23.932 1.00 71.31 H new ATOM 0 HG1 THR A 2 -26.141 -9.215 25.532 1.00 12.11 H new ATOM 0 HG21 THR A 2 -26.919 -10.641 23.904 1.00 23.32 H new ATOM 0 HG22 THR A 2 -27.169 -9.989 22.267 1.00 23.32 H new ATOM 0 HG23 THR A 2 -25.519 -10.187 22.904 1.00 23.32 H new ATOM 22 N ASP A 3 -26.716 -5.967 20.912 1.00 52.43 N ATOM 23 CA ASP A 3 -27.466 -5.343 19.825 1.00 50.14 C ATOM 24 C ASP A 3 -27.003 -5.939 18.491 1.00 30.11 C ATOM 25 O ASP A 3 -25.995 -6.653 18.452 1.00 14.05 O ATOM 26 CB ASP A 3 -27.191 -3.826 19.791 1.00 65.50 C ATOM 27 CG ASP A 3 -27.277 -3.116 21.140 1.00 72.41 C ATOM 28 OD1 ASP A 3 -26.295 -3.208 21.921 1.00 73.23 O ATOM 29 OD2 ASP A 3 -28.247 -2.373 21.388 1.00 51.23 O ATOM 0 H ASP A 3 -25.867 -5.446 21.132 1.00 52.43 H new ATOM 0 HA ASP A 3 -28.529 -5.522 19.984 1.00 50.14 H new ATOM 0 HB2 ASP A 3 -26.196 -3.663 19.376 1.00 65.50 H new ATOM 0 HB3 ASP A 3 -27.901 -3.360 19.108 1.00 65.50 H new ATOM 33 N PHE A 4 -27.666 -5.610 17.378 1.00 65.51 N ATOM 34 CA PHE A 4 -27.142 -5.855 16.036 1.00 4.35 C ATOM 35 C PHE A 4 -27.763 -4.848 15.057 1.00 31.51 C ATOM 36 O PHE A 4 -28.821 -4.280 15.335 1.00 71.24 O ATOM 37 CB PHE A 4 -27.435 -7.306 15.612 1.00 70.52 C ATOM 38 CG PHE A 4 -26.305 -7.974 14.849 1.00 54.02 C ATOM 39 CD1 PHE A 4 -25.147 -8.385 15.536 1.00 21.21 C ATOM 40 CD2 PHE A 4 -26.428 -8.248 13.474 1.00 12.35 C ATOM 41 CE1 PHE A 4 -24.134 -9.092 14.867 1.00 65.22 C ATOM 42 CE2 PHE A 4 -25.417 -8.957 12.804 1.00 24.12 C ATOM 43 CZ PHE A 4 -24.277 -9.392 13.502 1.00 64.54 C ATOM 0 H PHE A 4 -28.584 -5.165 17.385 1.00 65.51 H new ATOM 0 HA PHE A 4 -26.060 -5.720 16.030 1.00 4.35 H new ATOM 0 HB2 PHE A 4 -27.655 -7.895 16.502 1.00 70.52 H new ATOM 0 HB3 PHE A 4 -28.332 -7.317 14.993 1.00 70.52 H new ATOM 0 HD1 PHE A 4 -25.037 -8.155 16.585 1.00 21.21 H new ATOM 0 HD2 PHE A 4 -27.301 -7.913 12.933 1.00 12.35 H new ATOM 0 HE1 PHE A 4 -23.248 -9.404 15.400 1.00 65.22 H new ATOM 0 HE2 PHE A 4 -25.516 -9.168 11.750 1.00 24.12 H new ATOM 0 HZ PHE A 4 -23.512 -9.956 12.989 1.00 64.54 H new ATOM 52 N GLY A 5 -27.146 -4.677 13.884 1.00 23.13 N ATOM 53 CA GLY A 5 -27.573 -3.767 12.830 1.00 14.03 C ATOM 54 C GLY A 5 -27.509 -4.460 11.470 1.00 24.25 C ATOM 55 O GLY A 5 -27.228 -5.660 11.394 1.00 30.21 O ATOM 0 H GLY A 5 -26.301 -5.193 13.638 1.00 23.13 H new ATOM 0 HA2 GLY A 5 -28.590 -3.427 13.024 1.00 14.03 H new ATOM 0 HA3 GLY A 5 -26.936 -2.882 12.825 1.00 14.03 H new ATOM 59 N THR A 6 -27.801 -3.732 10.388 1.00 30.12 N ATOM 60 CA THR A 6 -28.060 -4.340 9.077 1.00 12.35 C ATOM 61 C THR A 6 -27.643 -3.442 7.889 1.00 10.55 C ATOM 62 O THR A 6 -27.969 -3.735 6.739 1.00 45.31 O ATOM 63 CB THR A 6 -29.543 -4.782 9.072 1.00 13.35 C ATOM 64 OG1 THR A 6 -29.798 -5.758 8.087 1.00 43.12 O ATOM 65 CG2 THR A 6 -30.530 -3.619 8.927 1.00 3.51 C ATOM 0 H THR A 6 -27.864 -2.714 10.394 1.00 30.12 H new ATOM 0 HA THR A 6 -27.428 -5.215 8.927 1.00 12.35 H new ATOM 0 HB THR A 6 -29.709 -5.221 10.056 1.00 13.35 H new ATOM 0 HG1 THR A 6 -29.341 -5.511 7.256 1.00 43.12 H new ATOM 0 HG21 THR A 6 -31.550 -4.004 8.931 1.00 3.51 H new ATOM 0 HG22 THR A 6 -30.400 -2.926 9.758 1.00 3.51 H new ATOM 0 HG23 THR A 6 -30.343 -3.098 7.988 1.00 3.51 H new ATOM 73 N THR A 7 -26.919 -2.344 8.134 1.00 72.21 N ATOM 74 CA THR A 7 -26.641 -1.269 7.170 1.00 22.41 C ATOM 75 C THR A 7 -25.896 -1.718 5.893 1.00 44.24 C ATOM 76 O THR A 7 -25.834 -0.960 4.926 1.00 12.41 O ATOM 77 CB THR A 7 -25.819 -0.186 7.907 1.00 41.23 C ATOM 78 OG1 THR A 7 -26.241 -0.064 9.257 1.00 51.21 O ATOM 79 CG2 THR A 7 -25.892 1.206 7.270 1.00 21.34 C ATOM 0 H THR A 7 -26.493 -2.172 9.045 1.00 72.21 H new ATOM 0 HA THR A 7 -27.601 -0.895 6.814 1.00 22.41 H new ATOM 0 HB THR A 7 -24.788 -0.532 7.838 1.00 41.23 H new ATOM 0 HG1 THR A 7 -25.707 0.625 9.706 1.00 51.21 H new ATOM 0 HG21 THR A 7 -25.288 1.904 7.850 1.00 21.34 H new ATOM 0 HG22 THR A 7 -25.513 1.159 6.249 1.00 21.34 H new ATOM 0 HG23 THR A 7 -26.927 1.547 7.257 1.00 21.34 H new ATOM 87 N ASN A 8 -25.306 -2.917 5.870 1.00 45.40 N ATOM 88 CA ASN A 8 -24.294 -3.310 4.889 1.00 32.43 C ATOM 89 C ASN A 8 -24.832 -4.237 3.789 1.00 43.22 C ATOM 90 O ASN A 8 -24.034 -4.853 3.089 1.00 12.45 O ATOM 91 CB ASN A 8 -23.088 -3.918 5.627 1.00 71.04 C ATOM 92 CG ASN A 8 -21.838 -3.954 4.753 1.00 65.21 C ATOM 93 OD1 ASN A 8 -21.399 -2.915 4.256 1.00 31.44 O ATOM 94 ND2 ASN A 8 -21.210 -5.111 4.597 1.00 51.33 N ATOM 0 H ASN A 8 -25.523 -3.652 6.543 1.00 45.40 H new ATOM 0 HA ASN A 8 -23.977 -2.413 4.356 1.00 32.43 H new ATOM 0 HB2 ASN A 8 -22.884 -3.337 6.527 1.00 71.04 H new ATOM 0 HB3 ASN A 8 -23.333 -4.930 5.949 1.00 71.04 H new ATOM 0 HD21 ASN A 8 -20.346 -5.153 4.057 1.00 51.33 H new ATOM 0 HD22 ASN A 8 -21.591 -5.959 5.017 1.00 51.33 H new ATOM 100 N ASN A 9 -26.153 -4.368 3.626 1.00 22.22 N ATOM 101 CA ASN A 9 -26.781 -5.058 2.494 1.00 12.31 C ATOM 102 C ASN A 9 -27.965 -4.232 2.008 1.00 71.11 C ATOM 103 O ASN A 9 -29.036 -4.286 2.618 1.00 31.33 O ATOM 104 CB ASN A 9 -27.231 -6.483 2.858 1.00 13.32 C ATOM 105 CG ASN A 9 -28.030 -7.156 1.732 1.00 30.01 C ATOM 106 OD1 ASN A 9 -27.952 -6.811 0.555 1.00 43.51 O ATOM 107 ND2 ASN A 9 -28.833 -8.154 2.053 1.00 61.14 N ATOM 0 H ASN A 9 -26.829 -3.990 4.290 1.00 22.22 H new ATOM 0 HA ASN A 9 -26.041 -5.157 1.700 1.00 12.31 H new ATOM 0 HB2 ASN A 9 -26.355 -7.089 3.089 1.00 13.32 H new ATOM 0 HB3 ASN A 9 -27.841 -6.448 3.761 1.00 13.32 H new ATOM 0 HD21 ASN A 9 -29.376 -8.625 1.329 1.00 61.14 H new ATOM 0 HD22 ASN A 9 -28.910 -8.454 3.025 1.00 61.14 H new ATOM 113 N PHE A 10 -27.765 -3.444 0.953 1.00 30.31 N ATOM 114 CA PHE A 10 -28.793 -2.796 0.146 1.00 30.11 C ATOM 115 C PHE A 10 -28.112 -2.195 -1.085 1.00 34.23 C ATOM 116 O PHE A 10 -26.934 -1.836 -1.017 1.00 22.15 O ATOM 117 CB PHE A 10 -29.508 -1.667 0.908 1.00 2.25 C ATOM 118 CG PHE A 10 -30.924 -1.427 0.432 1.00 13.31 C ATOM 119 CD1 PHE A 10 -31.950 -2.294 0.850 1.00 31.03 C ATOM 120 CD2 PHE A 10 -31.221 -0.355 -0.432 1.00 72.32 C ATOM 121 CE1 PHE A 10 -33.269 -2.090 0.409 1.00 21.14 C ATOM 122 CE2 PHE A 10 -32.540 -0.154 -0.875 1.00 32.12 C ATOM 123 CZ PHE A 10 -33.564 -1.020 -0.454 1.00 33.35 C ATOM 0 H PHE A 10 -26.825 -3.229 0.621 1.00 30.31 H new ATOM 0 HA PHE A 10 -29.542 -3.542 -0.121 1.00 30.11 H new ATOM 0 HB2 PHE A 10 -29.525 -1.910 1.971 1.00 2.25 H new ATOM 0 HB3 PHE A 10 -28.935 -0.746 0.801 1.00 2.25 H new ATOM 0 HD1 PHE A 10 -31.724 -3.118 1.511 1.00 31.03 H new ATOM 0 HD2 PHE A 10 -30.435 0.313 -0.754 1.00 72.32 H new ATOM 0 HE1 PHE A 10 -34.056 -2.755 0.733 1.00 21.14 H new ATOM 0 HE2 PHE A 10 -32.767 0.667 -1.539 1.00 32.12 H new ATOM 0 HZ PHE A 10 -34.577 -0.863 -0.793 1.00 33.35 H new ATOM 132 N VAL A 11 -28.875 -2.008 -2.161 1.00 12.25 N ATOM 133 CA VAL A 11 -28.458 -1.373 -3.405 1.00 52.23 C ATOM 134 C VAL A 11 -28.137 0.119 -3.208 1.00 14.44 C ATOM 135 O VAL A 11 -28.199 0.649 -2.092 1.00 70.21 O ATOM 136 CB VAL A 11 -29.553 -1.607 -4.472 1.00 20.21 C ATOM 137 CG1 VAL A 11 -29.687 -3.102 -4.798 1.00 55.34 C ATOM 138 CG2 VAL A 11 -30.920 -1.029 -4.072 1.00 32.02 C ATOM 0 H VAL A 11 -29.849 -2.311 -2.187 1.00 12.25 H new ATOM 0 HA VAL A 11 -27.529 -1.826 -3.750 1.00 52.23 H new ATOM 0 HB VAL A 11 -29.229 -1.069 -5.363 1.00 20.21 H new ATOM 0 HG11 VAL A 11 -30.463 -3.242 -5.551 1.00 55.34 H new ATOM 0 HG12 VAL A 11 -28.738 -3.477 -5.181 1.00 55.34 H new ATOM 0 HG13 VAL A 11 -29.955 -3.649 -3.894 1.00 55.34 H new ATOM 0 HG21 VAL A 11 -31.644 -1.226 -4.863 1.00 32.02 H new ATOM 0 HG22 VAL A 11 -31.256 -1.497 -3.147 1.00 32.02 H new ATOM 0 HG23 VAL A 11 -30.830 0.047 -3.923 1.00 32.02 H new ATOM 148 N SER A 12 -27.795 0.806 -4.298 1.00 13.33 N ATOM 149 CA SER A 12 -27.391 2.205 -4.285 1.00 51.51 C ATOM 150 C SER A 12 -27.860 2.961 -5.542 1.00 43.10 C ATOM 151 O SER A 12 -28.055 2.341 -6.601 1.00 21.12 O ATOM 152 CB SER A 12 -25.859 2.267 -4.170 1.00 2.13 C ATOM 153 OG SER A 12 -25.205 1.370 -5.060 1.00 64.44 O ATOM 0 H SER A 12 -27.792 0.394 -5.231 1.00 13.33 H new ATOM 0 HA SER A 12 -27.862 2.693 -3.432 1.00 51.51 H new ATOM 0 HB2 SER A 12 -25.524 3.284 -4.375 1.00 2.13 H new ATOM 0 HB3 SER A 12 -25.566 2.035 -3.146 1.00 2.13 H new ATOM 0 HG SER A 12 -24.234 1.449 -4.949 1.00 64.44 H new ATOM 158 N PRO A 13 -27.951 4.305 -5.479 1.00 61.23 N ATOM 159 CA PRO A 13 -27.947 5.173 -6.652 1.00 42.22 C ATOM 160 C PRO A 13 -26.569 5.157 -7.332 1.00 0.23 C ATOM 161 O PRO A 13 -25.640 4.473 -6.889 1.00 12.42 O ATOM 162 CB PRO A 13 -28.312 6.564 -6.125 1.00 74.31 C ATOM 163 CG PRO A 13 -27.756 6.554 -4.703 1.00 53.43 C ATOM 164 CD PRO A 13 -27.987 5.109 -4.264 1.00 21.22 C ATOM 0 HA PRO A 13 -28.655 4.846 -7.414 1.00 42.22 H new ATOM 0 HB2 PRO A 13 -27.863 7.354 -6.728 1.00 74.31 H new ATOM 0 HB3 PRO A 13 -29.389 6.729 -6.135 1.00 74.31 H new ATOM 0 HG2 PRO A 13 -26.699 6.821 -4.679 1.00 53.43 H new ATOM 0 HG3 PRO A 13 -28.278 7.262 -4.059 1.00 53.43 H new ATOM 0 HD2 PRO A 13 -27.218 4.788 -3.562 1.00 21.22 H new ATOM 0 HD3 PRO A 13 -28.946 5.005 -3.756 1.00 21.22 H new ATOM 169 N ASN A 14 -26.428 5.859 -8.456 1.00 52.12 N ATOM 170 CA ASN A 14 -25.212 5.830 -9.262 1.00 12.34 C ATOM 171 C ASN A 14 -24.160 6.787 -8.699 1.00 75.01 C ATOM 172 O ASN A 14 -23.999 7.925 -9.150 1.00 55.20 O ATOM 173 CB ASN A 14 -25.528 6.136 -10.722 1.00 22.25 C ATOM 174 CG ASN A 14 -24.488 5.433 -11.569 1.00 21.41 C ATOM 175 OD1 ASN A 14 -23.361 5.889 -11.710 1.00 73.24 O ATOM 176 ND2 ASN A 14 -24.819 4.247 -12.053 1.00 15.34 N ATOM 0 H ASN A 14 -27.157 6.465 -8.833 1.00 52.12 H new ATOM 0 HA ASN A 14 -24.793 4.825 -9.218 1.00 12.34 H new ATOM 0 HB2 ASN A 14 -26.529 5.790 -10.978 1.00 22.25 H new ATOM 0 HB3 ASN A 14 -25.507 7.211 -10.902 1.00 22.25 H new ATOM 0 HD21 ASN A 14 -24.128 3.691 -12.557 1.00 15.34 H new ATOM 0 HD22 ASN A 14 -25.765 3.889 -11.922 1.00 15.34 H new ATOM 182 N LEU A 15 -23.497 6.375 -7.626 1.00 52.22 N ATOM 183 CA LEU A 15 -22.717 7.290 -6.813 1.00 21.43 C ATOM 184 C LEU A 15 -21.278 7.392 -7.325 1.00 51.53 C ATOM 185 O LEU A 15 -20.382 6.699 -6.844 1.00 13.43 O ATOM 186 CB LEU A 15 -22.815 6.843 -5.354 1.00 4.44 C ATOM 187 CG LEU A 15 -22.289 7.931 -4.404 1.00 14.35 C ATOM 188 CD1 LEU A 15 -23.324 9.049 -4.216 1.00 73.02 C ATOM 189 CD2 LEU A 15 -21.937 7.337 -3.043 1.00 2.21 C ATOM 0 H LEU A 15 -23.486 5.408 -7.300 1.00 52.22 H new ATOM 0 HA LEU A 15 -23.117 8.302 -6.883 1.00 21.43 H new ATOM 0 HB2 LEU A 15 -23.852 6.614 -5.110 1.00 4.44 H new ATOM 0 HB3 LEU A 15 -22.244 5.926 -5.213 1.00 4.44 H new ATOM 0 HG LEU A 15 -21.391 8.352 -4.857 1.00 14.35 H new ATOM 0 HD11 LEU A 15 -22.925 9.804 -3.539 1.00 73.02 H new ATOM 0 HD12 LEU A 15 -23.545 9.506 -5.180 1.00 73.02 H new ATOM 0 HD13 LEU A 15 -24.238 8.631 -3.795 1.00 73.02 H new ATOM 0 HD21 LEU A 15 -21.567 8.125 -2.387 1.00 2.21 H new ATOM 0 HD22 LEU A 15 -22.826 6.885 -2.602 1.00 2.21 H new ATOM 0 HD23 LEU A 15 -21.167 6.576 -3.166 1.00 2.21 H new ATOM 200 N GLN A 16 -21.049 8.269 -8.301 1.00 64.02 N ATOM 201 CA GLN A 16 -19.727 8.634 -8.824 1.00 15.31 C ATOM 202 C GLN A 16 -19.021 9.676 -7.931 1.00 60.23 C ATOM 203 O GLN A 16 -18.335 10.562 -8.447 1.00 4.24 O ATOM 204 CB GLN A 16 -19.879 9.170 -10.259 1.00 43.42 C ATOM 205 CG GLN A 16 -20.569 8.180 -11.203 1.00 44.11 C ATOM 206 CD GLN A 16 -20.555 8.653 -12.652 1.00 64.01 C ATOM 207 OE1 GLN A 16 -20.577 9.846 -12.959 1.00 41.14 O ATOM 208 NE2 GLN A 16 -20.489 7.730 -13.586 1.00 42.53 N ATOM 0 H GLN A 16 -21.807 8.766 -8.770 1.00 64.02 H new ATOM 0 HA GLN A 16 -19.102 7.741 -8.827 1.00 15.31 H new ATOM 0 HB2 GLN A 16 -20.451 10.098 -10.235 1.00 43.42 H new ATOM 0 HB3 GLN A 16 -18.893 9.413 -10.655 1.00 43.42 H new ATOM 0 HG2 GLN A 16 -20.073 7.212 -11.135 1.00 44.11 H new ATOM 0 HG3 GLN A 16 -21.600 8.034 -10.881 1.00 44.11 H new ATOM 0 HE21 GLN A 16 -20.471 6.743 -13.328 1.00 42.53 H new ATOM 0 HE22 GLN A 16 -20.456 8.001 -14.569 1.00 42.53 H new ATOM 215 N LEU A 17 -19.244 9.649 -6.616 1.00 2.54 N ATOM 216 CA LEU A 17 -18.684 10.610 -5.674 1.00 63.22 C ATOM 217 C LEU A 17 -18.546 9.928 -4.318 1.00 23.41 C ATOM 218 O LEU A 17 -19.549 9.587 -3.690 1.00 63.34 O ATOM 219 CB LEU A 17 -19.512 11.910 -5.607 1.00 73.10 C ATOM 220 CG LEU A 17 -21.041 11.812 -5.394 1.00 53.44 C ATOM 221 CD1 LEU A 17 -21.545 13.137 -4.820 1.00 34.13 C ATOM 222 CD2 LEU A 17 -21.831 11.522 -6.684 1.00 51.31 C ATOM 0 H LEU A 17 -19.831 8.943 -6.171 1.00 2.54 H new ATOM 0 HA LEU A 17 -17.697 10.924 -6.015 1.00 63.22 H new ATOM 0 HB2 LEU A 17 -19.105 12.519 -4.800 1.00 73.10 H new ATOM 0 HB3 LEU A 17 -19.343 12.457 -6.535 1.00 73.10 H new ATOM 0 HG LEU A 17 -21.206 10.974 -4.716 1.00 53.44 H new ATOM 0 HD11 LEU A 17 -22.622 13.080 -4.665 1.00 34.13 H new ATOM 0 HD12 LEU A 17 -21.052 13.332 -3.868 1.00 34.13 H new ATOM 0 HD13 LEU A 17 -21.321 13.944 -5.517 1.00 34.13 H new ATOM 0 HD21 LEU A 17 -22.895 11.468 -6.454 1.00 51.31 H new ATOM 0 HD22 LEU A 17 -21.656 12.320 -7.405 1.00 51.31 H new ATOM 0 HD23 LEU A 17 -21.502 10.573 -7.106 1.00 51.31 H new ATOM 233 N LYS A 18 -17.316 9.650 -3.879 1.00 33.13 N ATOM 234 CA LYS A 18 -17.071 8.890 -2.650 1.00 42.30 C ATOM 235 C LYS A 18 -16.041 9.596 -1.775 1.00 12.11 C ATOM 236 O LYS A 18 -15.520 10.664 -2.108 1.00 43.52 O ATOM 237 CB LYS A 18 -16.677 7.435 -2.986 1.00 52.52 C ATOM 238 CG LYS A 18 -17.769 6.698 -3.784 1.00 71.01 C ATOM 239 CD LYS A 18 -17.571 5.176 -3.846 1.00 34.02 C ATOM 240 CE LYS A 18 -17.959 4.514 -2.514 1.00 2.24 C ATOM 241 NZ LYS A 18 -17.958 3.036 -2.598 1.00 44.53 N ATOM 0 H LYS A 18 -16.467 9.943 -4.362 1.00 33.13 H new ATOM 0 HA LYS A 18 -17.992 8.842 -2.068 1.00 42.30 H new ATOM 0 HB2 LYS A 18 -15.750 7.436 -3.560 1.00 52.52 H new ATOM 0 HB3 LYS A 18 -16.479 6.893 -2.061 1.00 52.52 H new ATOM 0 HG2 LYS A 18 -18.740 6.911 -3.336 1.00 71.01 H new ATOM 0 HG3 LYS A 18 -17.793 7.094 -4.799 1.00 71.01 H new ATOM 0 HD2 LYS A 18 -18.175 4.760 -4.652 1.00 34.02 H new ATOM 0 HD3 LYS A 18 -16.530 4.950 -4.078 1.00 34.02 H new ATOM 0 HE2 LYS A 18 -17.264 4.832 -1.737 1.00 2.24 H new ATOM 0 HE3 LYS A 18 -18.949 4.858 -2.215 1.00 2.24 H new ATOM 0 HZ1 LYS A 18 -18.226 2.636 -1.676 1.00 44.53 H new ATOM 0 HZ2 LYS A 18 -18.640 2.729 -3.320 1.00 44.53 H new ATOM 0 HZ3 LYS A 18 -17.007 2.704 -2.857 1.00 44.53 H new ATOM 251 N GLN A 19 -15.776 9.030 -0.602 1.00 44.13 N ATOM 252 CA GLN A 19 -14.687 9.426 0.270 1.00 14.25 C ATOM 253 C GLN A 19 -13.356 8.931 -0.299 1.00 65.24 C ATOM 254 O GLN A 19 -13.318 8.126 -1.233 1.00 24.12 O ATOM 255 CB GLN A 19 -14.966 8.855 1.668 1.00 43.50 C ATOM 256 CG GLN A 19 -14.849 7.323 1.741 1.00 2.54 C ATOM 257 CD GLN A 19 -15.637 6.772 2.916 1.00 1.43 C ATOM 258 OE1 GLN A 19 -16.621 6.069 2.734 1.00 1.11 O ATOM 259 NE2 GLN A 19 -15.291 7.140 4.132 1.00 5.12 N ATOM 0 H GLN A 19 -16.331 8.262 -0.225 1.00 44.13 H new ATOM 0 HA GLN A 19 -14.617 10.511 0.340 1.00 14.25 H new ATOM 0 HB2 GLN A 19 -14.269 9.299 2.379 1.00 43.50 H new ATOM 0 HB3 GLN A 19 -15.968 9.150 1.979 1.00 43.50 H new ATOM 0 HG2 GLN A 19 -15.216 6.882 0.814 1.00 2.54 H new ATOM 0 HG3 GLN A 19 -13.801 7.039 1.836 1.00 2.54 H new ATOM 0 HE21 GLN A 19 -14.468 7.726 4.273 1.00 5.12 H new ATOM 0 HE22 GLN A 19 -15.846 6.839 4.933 1.00 5.12 H new ATOM 266 N ASN A 20 -12.265 9.359 0.323 1.00 12.54 N ATOM 267 CA ASN A 20 -10.922 8.843 0.149 1.00 72.34 C ATOM 268 C ASN A 20 -10.882 7.469 0.800 1.00 13.14 C ATOM 269 O ASN A 20 -10.883 7.354 2.025 1.00 4.52 O ATOM 270 CB ASN A 20 -9.881 9.777 0.778 1.00 33.15 C ATOM 271 CG ASN A 20 -8.486 9.505 0.232 1.00 53.14 C ATOM 272 OD1 ASN A 20 -7.900 10.368 -0.416 1.00 54.33 O ATOM 273 ND2 ASN A 20 -7.922 8.327 0.418 1.00 61.42 N ATOM 0 H ASN A 20 -12.301 10.120 1.001 1.00 12.54 H new ATOM 0 HA ASN A 20 -10.677 8.775 -0.911 1.00 72.34 H new ATOM 0 HB2 ASN A 20 -10.154 10.814 0.581 1.00 33.15 H new ATOM 0 HB3 ASN A 20 -9.881 9.647 1.860 1.00 33.15 H new ATOM 0 HD21 ASN A 20 -7.001 8.135 0.024 1.00 61.42 H new ATOM 0 HD22 ASN A 20 -8.407 7.609 0.956 1.00 61.42 H new ATOM 279 N VAL A 21 -10.933 6.450 -0.035 1.00 34.42 N ATOM 280 CA VAL A 21 -10.800 5.030 0.305 1.00 42.10 C ATOM 281 C VAL A 21 -9.382 4.561 -0.070 1.00 10.55 C ATOM 282 O VAL A 21 -8.765 5.112 -0.987 1.00 51.14 O ATOM 283 CB VAL A 21 -11.893 4.252 -0.459 1.00 10.43 C ATOM 284 CG1 VAL A 21 -11.861 2.731 -0.265 1.00 71.01 C ATOM 285 CG2 VAL A 21 -13.310 4.708 -0.063 1.00 34.13 C ATOM 0 H VAL A 21 -11.077 6.591 -1.035 1.00 34.42 H new ATOM 0 HA VAL A 21 -10.934 4.854 1.372 1.00 42.10 H new ATOM 0 HB VAL A 21 -11.666 4.479 -1.501 1.00 10.43 H new ATOM 0 HG11 VAL A 21 -12.666 2.274 -0.840 1.00 71.01 H new ATOM 0 HG12 VAL A 21 -10.903 2.341 -0.608 1.00 71.01 H new ATOM 0 HG13 VAL A 21 -11.992 2.496 0.791 1.00 71.01 H new ATOM 0 HG21 VAL A 21 -14.047 4.134 -0.625 1.00 34.13 H new ATOM 0 HG22 VAL A 21 -13.460 4.545 1.004 1.00 34.13 H new ATOM 0 HG23 VAL A 21 -13.427 5.768 -0.288 1.00 34.13 H new ATOM 295 N LEU A 22 -8.866 3.535 0.617 1.00 32.31 N ATOM 296 CA LEU A 22 -7.551 2.953 0.349 1.00 51.53 C ATOM 297 C LEU A 22 -7.569 1.931 -0.805 1.00 1.25 C ATOM 298 O LEU A 22 -8.582 1.253 -1.006 1.00 21.05 O ATOM 299 CB LEU A 22 -7.015 2.247 1.611 1.00 3.45 C ATOM 300 CG LEU A 22 -6.596 3.185 2.758 1.00 72.04 C ATOM 301 CD1 LEU A 22 -6.197 2.365 3.991 1.00 5.25 C ATOM 302 CD2 LEU A 22 -5.433 4.107 2.365 1.00 65.13 C ATOM 0 H LEU A 22 -9.360 3.081 1.385 1.00 32.31 H new ATOM 0 HA LEU A 22 -6.905 3.782 0.059 1.00 51.53 H new ATOM 0 HB2 LEU A 22 -7.782 1.567 1.981 1.00 3.45 H new ATOM 0 HB3 LEU A 22 -6.157 1.637 1.330 1.00 3.45 H new ATOM 0 HG LEU A 22 -7.458 3.813 2.985 1.00 72.04 H new ATOM 0 HD11 LEU A 22 -5.902 3.038 4.796 1.00 5.25 H new ATOM 0 HD12 LEU A 22 -7.044 1.760 4.315 1.00 5.25 H new ATOM 0 HD13 LEU A 22 -5.361 1.713 3.739 1.00 5.25 H new ATOM 0 HD21 LEU A 22 -5.176 4.748 3.208 1.00 65.13 H new ATOM 0 HD22 LEU A 22 -4.567 3.504 2.091 1.00 65.13 H new ATOM 0 HD23 LEU A 22 -5.729 4.724 1.517 1.00 65.13 H new ATOM 313 N PRO A 23 -6.422 1.725 -1.482 1.00 51.13 N ATOM 314 CA PRO A 23 -6.221 0.667 -2.477 1.00 41.50 C ATOM 315 C PRO A 23 -6.394 -0.757 -1.906 1.00 2.11 C ATOM 316 O PRO A 23 -6.512 -0.934 -0.688 1.00 11.55 O ATOM 317 CB PRO A 23 -4.811 0.897 -3.050 1.00 24.05 C ATOM 318 CG PRO A 23 -4.129 1.827 -2.066 1.00 51.20 C ATOM 319 CD PRO A 23 -5.266 2.607 -1.441 1.00 63.11 C ATOM 0 HA PRO A 23 -6.985 0.726 -3.252 1.00 41.50 H new ATOM 0 HB2 PRO A 23 -4.267 -0.043 -3.146 1.00 24.05 H new ATOM 0 HB3 PRO A 23 -4.858 1.341 -4.044 1.00 24.05 H new ATOM 0 HG2 PRO A 23 -3.568 1.270 -1.315 1.00 51.20 H new ATOM 0 HG3 PRO A 23 -3.422 2.487 -2.567 1.00 51.20 H new ATOM 0 HD2 PRO A 23 -5.028 2.892 -0.416 1.00 63.11 H new ATOM 0 HD3 PRO A 23 -5.457 3.528 -1.992 1.00 63.11 H new ATOM 324 N PRO A 24 -6.441 -1.788 -2.776 1.00 33.15 N ATOM 325 CA PRO A 24 -6.641 -3.182 -2.378 1.00 64.21 C ATOM 326 C PRO A 24 -5.430 -3.764 -1.637 1.00 13.44 C ATOM 327 O PRO A 24 -4.325 -3.216 -1.677 1.00 34.15 O ATOM 328 CB PRO A 24 -6.903 -3.946 -3.686 1.00 4.51 C ATOM 329 CG PRO A 24 -6.200 -3.100 -4.745 1.00 20.22 C ATOM 330 CD PRO A 24 -6.401 -1.683 -4.229 1.00 55.31 C ATOM 0 HA PRO A 24 -7.470 -3.266 -1.676 1.00 64.21 H new ATOM 0 HB2 PRO A 24 -6.498 -4.957 -3.647 1.00 4.51 H new ATOM 0 HB3 PRO A 24 -7.970 -4.038 -3.890 1.00 4.51 H new ATOM 0 HG2 PRO A 24 -5.143 -3.354 -4.830 1.00 20.22 H new ATOM 0 HG3 PRO A 24 -6.641 -3.238 -5.732 1.00 20.22 H new ATOM 0 HD2 PRO A 24 -5.589 -1.031 -4.551 1.00 55.31 H new ATOM 0 HD3 PRO A 24 -7.326 -1.254 -4.615 1.00 55.31 H new ATOM 335 N THR A 25 -5.620 -4.932 -1.027 1.00 33.01 N ATOM 336 CA THR A 25 -4.615 -5.670 -0.270 1.00 74.02 C ATOM 337 C THR A 25 -4.816 -7.178 -0.496 1.00 54.41 C ATOM 338 O THR A 25 -5.888 -7.584 -0.952 1.00 31.33 O ATOM 339 CB THR A 25 -4.685 -5.260 1.222 1.00 42.54 C ATOM 340 OG1 THR A 25 -5.964 -4.807 1.644 1.00 14.21 O ATOM 341 CG2 THR A 25 -3.768 -4.067 1.493 1.00 1.52 C ATOM 0 H THR A 25 -6.521 -5.410 -1.049 1.00 33.01 H new ATOM 0 HA THR A 25 -3.610 -5.426 -0.615 1.00 74.02 H new ATOM 0 HB THR A 25 -4.407 -6.169 1.755 1.00 42.54 H new ATOM 0 HG1 THR A 25 -5.930 -4.569 2.594 1.00 14.21 H new ATOM 0 HG21 THR A 25 -3.830 -3.792 2.546 1.00 1.52 H new ATOM 0 HG22 THR A 25 -2.740 -4.335 1.247 1.00 1.52 H new ATOM 0 HG23 THR A 25 -4.079 -3.222 0.879 1.00 1.52 H new ATOM 349 N PRO A 26 -3.803 -8.019 -0.221 1.00 74.24 N ATOM 350 CA PRO A 26 -3.971 -9.462 -0.225 1.00 61.45 C ATOM 351 C PRO A 26 -4.809 -9.871 0.982 1.00 13.32 C ATOM 352 O PRO A 26 -4.629 -9.351 2.087 1.00 63.41 O ATOM 353 CB PRO A 26 -2.561 -10.047 -0.149 1.00 3.40 C ATOM 354 CG PRO A 26 -1.775 -8.966 0.580 1.00 50.22 C ATOM 355 CD PRO A 26 -2.445 -7.662 0.153 1.00 12.11 C ATOM 0 HA PRO A 26 -4.486 -9.823 -1.115 1.00 61.45 H new ATOM 0 HB2 PRO A 26 -2.546 -10.992 0.394 1.00 3.40 H new ATOM 0 HB3 PRO A 26 -2.152 -10.243 -1.140 1.00 3.40 H new ATOM 0 HG2 PRO A 26 -1.820 -9.101 1.661 1.00 50.22 H new ATOM 0 HG3 PRO A 26 -0.722 -8.983 0.300 1.00 50.22 H new ATOM 0 HD2 PRO A 26 -2.441 -6.936 0.966 1.00 12.11 H new ATOM 0 HD3 PRO A 26 -1.916 -7.206 -0.684 1.00 12.11 H new ATOM 360 N LYS A 27 -5.666 -10.869 0.778 1.00 65.12 N ATOM 361 CA LYS A 27 -6.642 -11.363 1.748 1.00 33.33 C ATOM 362 C LYS A 27 -5.976 -12.262 2.787 1.00 62.25 C ATOM 363 O LYS A 27 -6.460 -13.365 3.047 1.00 63.04 O ATOM 364 CB LYS A 27 -7.814 -12.059 1.020 1.00 1.11 C ATOM 365 CG LYS A 27 -7.325 -13.187 0.095 1.00 52.31 C ATOM 366 CD LYS A 27 -8.372 -14.274 -0.198 1.00 42.21 C ATOM 367 CE LYS A 27 -7.668 -15.643 -0.184 1.00 11.50 C ATOM 368 NZ LYS A 27 -8.268 -16.627 -1.105 1.00 42.51 N ATOM 0 H LYS A 27 -5.701 -11.378 -0.105 1.00 65.12 H new ATOM 0 HA LYS A 27 -7.058 -10.517 2.295 1.00 33.33 H new ATOM 0 HB2 LYS A 27 -8.507 -12.467 1.755 1.00 1.11 H new ATOM 0 HB3 LYS A 27 -8.366 -11.324 0.435 1.00 1.11 H new ATOM 0 HG2 LYS A 27 -7.001 -12.750 -0.849 1.00 52.31 H new ATOM 0 HG3 LYS A 27 -6.451 -13.656 0.546 1.00 52.31 H new ATOM 0 HD2 LYS A 27 -9.165 -14.248 0.549 1.00 42.21 H new ATOM 0 HD3 LYS A 27 -8.840 -14.098 -1.166 1.00 42.21 H new ATOM 0 HE2 LYS A 27 -6.619 -15.505 -0.447 1.00 11.50 H new ATOM 0 HE3 LYS A 27 -7.693 -16.044 0.829 1.00 11.50 H new ATOM 0 HZ1 LYS A 27 -7.745 -17.524 -1.044 1.00 42.51 H new ATOM 0 HZ2 LYS A 27 -9.262 -16.787 -0.843 1.00 42.51 H new ATOM 0 HZ3 LYS A 27 -8.221 -16.265 -2.079 1.00 42.51 H new ATOM 378 N ASN A 28 -4.830 -11.859 3.329 1.00 22.32 N ATOM 379 CA ASN A 28 -4.037 -12.632 4.251 1.00 64.11 C ATOM 380 C ASN A 28 -3.800 -11.804 5.498 1.00 42.15 C ATOM 381 O ASN A 28 -3.979 -12.337 6.595 1.00 14.43 O ATOM 382 CB ASN A 28 -2.742 -13.104 3.579 1.00 5.11 C ATOM 383 CG ASN A 28 -2.988 -14.349 2.760 1.00 51.12 C ATOM 384 OD1 ASN A 28 -2.836 -15.468 3.243 1.00 13.22 O ATOM 385 ND2 ASN A 28 -3.398 -14.229 1.517 1.00 12.11 N ATOM 0 H ASN A 28 -4.421 -10.947 3.123 1.00 22.32 H new ATOM 0 HA ASN A 28 -4.564 -13.538 4.549 1.00 64.11 H new ATOM 0 HB2 ASN A 28 -2.350 -12.314 2.939 1.00 5.11 H new ATOM 0 HB3 ASN A 28 -1.985 -13.305 4.337 1.00 5.11 H new ATOM 0 HD21 ASN A 28 -3.588 -15.062 0.960 1.00 12.11 H new ATOM 0 HD22 ASN A 28 -3.526 -13.303 1.109 1.00 12.11 H new ATOM 391 N ILE A 29 -3.434 -10.524 5.367 1.00 3.12 N ATOM 392 CA ILE A 29 -3.191 -9.646 6.501 1.00 12.40 C ATOM 393 C ILE A 29 -3.686 -8.230 6.154 1.00 5.31 C ATOM 394 O ILE A 29 -3.708 -7.879 4.971 1.00 25.31 O ATOM 395 CB ILE A 29 -1.690 -9.663 6.873 1.00 25.42 C ATOM 396 CG1 ILE A 29 -0.765 -8.873 5.933 1.00 22.21 C ATOM 397 CG2 ILE A 29 -1.114 -11.073 7.022 1.00 23.34 C ATOM 398 CD1 ILE A 29 -0.608 -9.403 4.507 1.00 42.41 C ATOM 0 H ILE A 29 -3.299 -10.072 4.463 1.00 3.12 H new ATOM 0 HA ILE A 29 -3.742 -9.995 7.375 1.00 12.40 H new ATOM 0 HB ILE A 29 -1.700 -9.156 7.838 1.00 25.42 H new ATOM 0 HG12 ILE A 29 -1.135 -7.849 5.875 1.00 22.21 H new ATOM 0 HG13 ILE A 29 0.224 -8.829 6.389 1.00 22.21 H new ATOM 0 HG21 ILE A 29 -0.058 -11.009 7.283 1.00 23.34 H new ATOM 0 HG22 ILE A 29 -1.651 -11.604 7.808 1.00 23.34 H new ATOM 0 HG23 ILE A 29 -1.223 -11.612 6.081 1.00 23.34 H new ATOM 0 HD11 ILE A 29 0.069 -8.755 3.951 1.00 42.41 H new ATOM 0 HD12 ILE A 29 -0.201 -10.414 4.537 1.00 42.41 H new ATOM 0 HD13 ILE A 29 -1.581 -9.418 4.015 1.00 42.41 H new ATOM 409 N PRO A 30 -4.025 -7.392 7.147 1.00 34.01 N ATOM 410 CA PRO A 30 -4.485 -6.025 6.915 1.00 61.45 C ATOM 411 C PRO A 30 -3.314 -5.088 6.584 1.00 61.13 C ATOM 412 O PRO A 30 -2.173 -5.391 6.928 1.00 63.33 O ATOM 413 CB PRO A 30 -5.177 -5.634 8.219 1.00 32.50 C ATOM 414 CG PRO A 30 -4.409 -6.416 9.287 1.00 73.35 C ATOM 415 CD PRO A 30 -4.031 -7.709 8.569 1.00 52.13 C ATOM 0 HA PRO A 30 -5.155 -5.950 6.059 1.00 61.45 H new ATOM 0 HB2 PRO A 30 -5.124 -4.559 8.394 1.00 32.50 H new ATOM 0 HB3 PRO A 30 -6.233 -5.903 8.208 1.00 32.50 H new ATOM 0 HG2 PRO A 30 -3.528 -5.873 9.628 1.00 73.35 H new ATOM 0 HG3 PRO A 30 -5.025 -6.609 10.166 1.00 73.35 H new ATOM 0 HD2 PRO A 30 -3.053 -8.064 8.894 1.00 52.13 H new ATOM 0 HD3 PRO A 30 -4.747 -8.501 8.789 1.00 52.13 H new ATOM 420 N LEU A 31 -3.599 -3.915 6.002 1.00 24.40 N ATOM 421 CA LEU A 31 -2.667 -2.830 5.649 1.00 54.35 C ATOM 422 C LEU A 31 -1.459 -2.695 6.594 1.00 22.14 C ATOM 423 O LEU A 31 -0.330 -2.794 6.114 1.00 42.53 O ATOM 424 CB LEU A 31 -3.455 -1.515 5.469 1.00 25.23 C ATOM 425 CG LEU A 31 -2.668 -0.243 5.070 1.00 65.42 C ATOM 426 CD1 LEU A 31 -2.079 0.524 6.261 1.00 31.12 C ATOM 427 CD2 LEU A 31 -1.571 -0.482 4.023 1.00 21.05 C ATOM 0 H LEU A 31 -4.558 -3.680 5.746 1.00 24.40 H new ATOM 0 HA LEU A 31 -2.204 -3.092 4.698 1.00 54.35 H new ATOM 0 HB2 LEU A 31 -4.220 -1.685 4.711 1.00 25.23 H new ATOM 0 HB3 LEU A 31 -3.974 -1.306 6.405 1.00 25.23 H new ATOM 0 HG LEU A 31 -3.437 0.379 4.611 1.00 65.42 H new ATOM 0 HD11 LEU A 31 -1.543 1.402 5.899 1.00 31.12 H new ATOM 0 HD12 LEU A 31 -2.884 0.839 6.925 1.00 31.12 H new ATOM 0 HD13 LEU A 31 -1.391 -0.122 6.806 1.00 31.12 H new ATOM 0 HD21 LEU A 31 -1.069 0.460 3.800 1.00 21.05 H new ATOM 0 HD22 LEU A 31 -0.846 -1.196 4.412 1.00 21.05 H new ATOM 0 HD23 LEU A 31 -2.018 -0.879 3.112 1.00 21.05 H new ATOM 438 N PRO A 32 -1.612 -2.487 7.916 1.00 52.11 N ATOM 439 CA PRO A 32 -0.463 -2.288 8.795 1.00 24.14 C ATOM 440 C PRO A 32 0.470 -3.503 8.841 1.00 13.03 C ATOM 441 O PRO A 32 1.688 -3.316 8.883 1.00 22.31 O ATOM 442 CB PRO A 32 -1.041 -1.921 10.167 1.00 62.33 C ATOM 443 CG PRO A 32 -2.470 -2.461 10.120 1.00 33.22 C ATOM 444 CD PRO A 32 -2.853 -2.317 8.654 1.00 70.21 C ATOM 0 HA PRO A 32 0.179 -1.490 8.422 1.00 24.14 H new ATOM 0 HB2 PRO A 32 -0.469 -2.375 10.976 1.00 62.33 H new ATOM 0 HB3 PRO A 32 -1.026 -0.844 10.332 1.00 62.33 H new ATOM 0 HG2 PRO A 32 -2.518 -3.499 10.448 1.00 33.22 H new ATOM 0 HG3 PRO A 32 -3.136 -1.891 10.767 1.00 33.22 H new ATOM 0 HD2 PRO A 32 -3.589 -3.067 8.364 1.00 70.21 H new ATOM 0 HD3 PRO A 32 -3.297 -1.341 8.457 1.00 70.21 H new ATOM 449 N ALA A 33 -0.061 -4.727 8.754 1.00 34.43 N ATOM 450 CA ALA A 33 0.736 -5.938 8.698 1.00 33.10 C ATOM 451 C ALA A 33 1.327 -6.041 7.305 1.00 72.51 C ATOM 452 O ALA A 33 2.510 -6.352 7.166 1.00 52.23 O ATOM 453 CB ALA A 33 -0.142 -7.141 9.042 1.00 10.43 C ATOM 0 H ALA A 33 -1.066 -4.897 8.721 1.00 34.43 H new ATOM 0 HA ALA A 33 1.549 -5.916 9.423 1.00 33.10 H new ATOM 0 HB1 ALA A 33 0.456 -8.052 9.000 1.00 10.43 H new ATOM 0 HB2 ALA A 33 -0.548 -7.020 10.046 1.00 10.43 H new ATOM 0 HB3 ALA A 33 -0.960 -7.211 8.325 1.00 10.43 H new ATOM 459 N PHE A 34 0.522 -5.719 6.288 1.00 1.32 N ATOM 460 CA PHE A 34 0.876 -5.808 4.893 1.00 72.23 C ATOM 461 C PHE A 34 2.040 -4.891 4.518 1.00 53.35 C ATOM 462 O PHE A 34 2.601 -5.030 3.435 1.00 12.44 O ATOM 463 CB PHE A 34 -0.340 -5.571 3.988 1.00 50.54 C ATOM 464 CG PHE A 34 -0.050 -5.704 2.500 1.00 12.13 C ATOM 465 CD1 PHE A 34 0.567 -6.857 1.972 1.00 63.33 C ATOM 466 CD2 PHE A 34 -0.352 -4.637 1.639 1.00 73.35 C ATOM 467 CE1 PHE A 34 0.845 -6.950 0.596 1.00 3.21 C ATOM 468 CE2 PHE A 34 -0.130 -4.755 0.260 1.00 51.21 C ATOM 469 CZ PHE A 34 0.453 -5.917 -0.270 1.00 14.30 C ATOM 0 H PHE A 34 -0.428 -5.377 6.434 1.00 1.32 H new ATOM 0 HA PHE A 34 1.222 -6.828 4.728 1.00 72.23 H new ATOM 0 HB2 PHE A 34 -1.123 -6.280 4.258 1.00 50.54 H new ATOM 0 HB3 PHE A 34 -0.733 -4.573 4.182 1.00 50.54 H new ATOM 0 HD1 PHE A 34 0.828 -7.674 2.628 1.00 63.33 H new ATOM 0 HD2 PHE A 34 -0.758 -3.720 2.041 1.00 73.35 H new ATOM 0 HE1 PHE A 34 1.360 -7.816 0.206 1.00 3.21 H new ATOM 0 HE2 PHE A 34 -0.409 -3.946 -0.399 1.00 51.21 H new ATOM 0 HZ PHE A 34 0.599 -6.015 -1.336 1.00 14.30 H new ATOM 478 N GLY A 35 2.437 -3.973 5.394 1.00 42.11 N ATOM 479 CA GLY A 35 3.659 -3.213 5.256 1.00 11.14 C ATOM 480 C GLY A 35 4.681 -3.657 6.292 1.00 3.34 C ATOM 481 O GLY A 35 5.766 -4.118 5.943 1.00 30.23 O ATOM 0 H GLY A 35 1.904 -3.738 6.231 1.00 42.11 H new ATOM 0 HA2 GLY A 35 4.066 -3.347 4.254 1.00 11.14 H new ATOM 0 HA3 GLY A 35 3.449 -2.150 5.376 1.00 11.14 H new ATOM 485 N GLN A 36 4.360 -3.499 7.577 1.00 23.30 N ATOM 486 CA GLN A 36 5.345 -3.523 8.656 1.00 65.45 C ATOM 487 C GLN A 36 5.984 -4.898 8.888 1.00 44.45 C ATOM 488 O GLN A 36 7.036 -4.949 9.520 1.00 32.21 O ATOM 489 CB GLN A 36 4.709 -3.014 9.959 1.00 50.15 C ATOM 490 CG GLN A 36 4.225 -1.559 9.840 1.00 45.42 C ATOM 491 CD GLN A 36 3.494 -1.094 11.091 1.00 11.03 C ATOM 492 OE1 GLN A 36 3.968 -1.257 12.216 1.00 24.11 O ATOM 493 NE2 GLN A 36 2.329 -0.483 10.941 1.00 73.22 N ATOM 0 H GLN A 36 3.404 -3.350 7.899 1.00 23.30 H new ATOM 0 HA GLN A 36 6.153 -2.862 8.342 1.00 65.45 H new ATOM 0 HB2 GLN A 36 3.868 -3.654 10.225 1.00 50.15 H new ATOM 0 HB3 GLN A 36 5.435 -3.089 10.769 1.00 50.15 H new ATOM 0 HG2 GLN A 36 5.079 -0.907 9.657 1.00 45.42 H new ATOM 0 HG3 GLN A 36 3.563 -1.467 8.979 1.00 45.42 H new ATOM 0 HE21 GLN A 36 1.939 -0.350 10.008 1.00 73.22 H new ATOM 0 HE22 GLN A 36 1.821 -0.146 11.759 1.00 73.22 H new ATOM 500 N ARG A 37 5.404 -5.996 8.388 1.00 65.12 N ATOM 501 CA ARG A 37 5.982 -7.341 8.503 1.00 22.50 C ATOM 502 C ARG A 37 6.039 -8.044 7.149 1.00 62.11 C ATOM 503 O ARG A 37 5.942 -9.275 7.084 1.00 14.13 O ATOM 504 CB ARG A 37 5.221 -8.150 9.571 1.00 51.01 C ATOM 505 CG ARG A 37 5.487 -7.595 10.980 1.00 61.51 C ATOM 506 CD ARG A 37 5.103 -8.599 12.073 1.00 32.53 C ATOM 507 NE ARG A 37 5.745 -8.253 13.351 1.00 13.13 N ATOM 508 CZ ARG A 37 5.522 -8.826 14.539 1.00 1.24 C ATOM 509 NH1 ARG A 37 4.465 -9.601 14.764 1.00 21.44 N ATOM 510 NH2 ARG A 37 6.379 -8.613 15.530 1.00 72.35 N ATOM 0 H ARG A 37 4.515 -5.976 7.889 1.00 65.12 H new ATOM 0 HA ARG A 37 7.017 -7.256 8.834 1.00 22.50 H new ATOM 0 HB2 ARG A 37 4.152 -8.120 9.361 1.00 51.01 H new ATOM 0 HB3 ARG A 37 5.526 -9.196 9.525 1.00 51.01 H new ATOM 0 HG2 ARG A 37 6.542 -7.340 11.076 1.00 61.51 H new ATOM 0 HG3 ARG A 37 4.922 -6.673 11.119 1.00 61.51 H new ATOM 0 HD2 ARG A 37 4.020 -8.612 12.197 1.00 32.53 H new ATOM 0 HD3 ARG A 37 5.401 -9.603 11.771 1.00 32.53 H new ATOM 0 HE ARG A 37 6.431 -7.498 13.329 1.00 13.13 H new ATOM 0 HH11 ARG A 37 3.792 -9.775 14.018 1.00 21.44 H new ATOM 0 HH12 ARG A 37 4.327 -10.021 15.683 1.00 21.44 H new ATOM 0 HH21 ARG A 37 7.195 -8.019 15.380 1.00 72.35 H new ATOM 0 HH22 ARG A 37 6.222 -9.043 16.441 1.00 72.35 H new ATOM 521 N ILE A 38 6.091 -7.279 6.058 1.00 2.34 N ATOM 522 CA ILE A 38 6.037 -7.801 4.698 1.00 73.05 C ATOM 523 C ILE A 38 6.967 -6.983 3.799 1.00 41.41 C ATOM 524 O ILE A 38 7.734 -7.568 3.043 1.00 1.43 O ATOM 525 CB ILE A 38 4.577 -7.783 4.185 1.00 52.22 C ATOM 526 CG1 ILE A 38 3.569 -8.557 5.068 1.00 63.24 C ATOM 527 CG2 ILE A 38 4.487 -8.252 2.724 1.00 64.21 C ATOM 528 CD1 ILE A 38 3.604 -10.070 5.052 1.00 22.22 C ATOM 0 H ILE A 38 6.173 -6.263 6.098 1.00 2.34 H new ATOM 0 HA ILE A 38 6.379 -8.836 4.682 1.00 73.05 H new ATOM 0 HB ILE A 38 4.278 -6.737 4.247 1.00 52.22 H new ATOM 0 HG12 ILE A 38 3.715 -8.233 6.099 1.00 63.24 H new ATOM 0 HG13 ILE A 38 2.566 -8.246 4.776 1.00 63.24 H new ATOM 0 HG21 ILE A 38 3.447 -8.227 2.397 1.00 64.21 H new ATOM 0 HG22 ILE A 38 5.082 -7.592 2.093 1.00 64.21 H new ATOM 0 HG23 ILE A 38 4.867 -9.270 2.645 1.00 64.21 H new ATOM 0 HD11 ILE A 38 2.837 -10.459 5.722 1.00 22.22 H new ATOM 0 HD12 ILE A 38 3.417 -10.428 4.040 1.00 22.22 H new ATOM 0 HD13 ILE A 38 4.584 -10.415 5.383 1.00 22.22 H new ATOM 539 N ILE A 39 6.904 -5.652 3.881 1.00 73.45 N ATOM 540 CA ILE A 39 7.542 -4.708 2.963 1.00 41.23 C ATOM 541 C ILE A 39 8.766 -4.064 3.621 1.00 61.03 C ATOM 542 O ILE A 39 9.550 -3.405 2.941 1.00 30.31 O ATOM 543 CB ILE A 39 6.479 -3.663 2.527 1.00 73.21 C ATOM 544 CG1 ILE A 39 5.250 -4.329 1.875 1.00 61.33 C ATOM 545 CG2 ILE A 39 6.981 -2.560 1.587 1.00 52.22 C ATOM 546 CD1 ILE A 39 5.506 -5.002 0.523 1.00 34.03 C ATOM 0 H ILE A 39 6.384 -5.183 4.622 1.00 73.45 H new ATOM 0 HA ILE A 39 7.910 -5.221 2.074 1.00 41.23 H new ATOM 0 HB ILE A 39 6.211 -3.183 3.468 1.00 73.21 H new ATOM 0 HG12 ILE A 39 4.855 -5.075 2.564 1.00 61.33 H new ATOM 0 HG13 ILE A 39 4.475 -3.573 1.744 1.00 61.33 H new ATOM 0 HG21 ILE A 39 6.159 -1.886 1.346 1.00 52.22 H new ATOM 0 HG22 ILE A 39 7.778 -2.000 2.076 1.00 52.22 H new ATOM 0 HG23 ILE A 39 7.363 -3.009 0.670 1.00 52.22 H new ATOM 0 HD11 ILE A 39 4.578 -5.438 0.152 1.00 34.03 H new ATOM 0 HD12 ILE A 39 5.868 -4.261 -0.189 1.00 34.03 H new ATOM 0 HD13 ILE A 39 6.254 -5.786 0.643 1.00 34.03 H new ATOM 557 N GLY A 40 8.957 -4.246 4.930 1.00 1.41 N ATOM 558 CA GLY A 40 10.143 -3.768 5.629 1.00 72.43 C ATOM 559 C GLY A 40 10.157 -2.251 5.779 1.00 65.54 C ATOM 560 O GLY A 40 11.183 -1.679 6.144 1.00 43.34 O ATOM 0 H GLY A 40 8.291 -4.730 5.532 1.00 1.41 H new ATOM 0 HA2 GLY A 40 10.190 -4.228 6.616 1.00 72.43 H new ATOM 0 HA3 GLY A 40 11.034 -4.085 5.087 1.00 72.43 H new ATOM 564 N TRP A 41 9.042 -1.578 5.485 1.00 72.43 N ATOM 565 CA TRP A 41 8.971 -0.128 5.434 1.00 72.15 C ATOM 566 C TRP A 41 8.792 0.518 6.789 1.00 1.34 C ATOM 567 O TRP A 41 8.636 1.737 6.834 1.00 61.11 O ATOM 568 CB TRP A 41 7.908 0.298 4.406 1.00 25.31 C ATOM 569 CG TRP A 41 6.447 0.186 4.739 1.00 34.02 C ATOM 570 CD1 TRP A 41 5.900 -0.199 5.915 1.00 13.12 C ATOM 571 CD2 TRP A 41 5.312 0.443 3.855 1.00 52.51 C ATOM 572 NE1 TRP A 41 4.535 -0.029 5.873 1.00 23.34 N ATOM 573 CE2 TRP A 41 4.107 0.258 4.598 1.00 62.32 C ATOM 574 CE3 TRP A 41 5.176 0.774 2.489 1.00 14.21 C ATOM 575 CZ2 TRP A 41 2.835 0.345 4.016 1.00 24.02 C ATOM 576 CZ3 TRP A 41 3.905 0.810 1.884 1.00 24.12 C ATOM 577 CH2 TRP A 41 2.740 0.589 2.639 1.00 41.14 C ATOM 0 H TRP A 41 8.156 -2.037 5.274 1.00 72.43 H new ATOM 0 HA TRP A 41 9.938 0.246 5.099 1.00 72.15 H new ATOM 0 HB2 TRP A 41 8.103 1.340 4.153 1.00 25.31 H new ATOM 0 HB3 TRP A 41 8.079 -0.287 3.502 1.00 25.31 H new ATOM 0 HD1 TRP A 41 6.452 -0.582 6.760 1.00 13.12 H new ATOM 0 HE1 TRP A 41 3.920 -0.106 6.683 1.00 23.34 H new ATOM 0 HE3 TRP A 41 6.054 1.001 1.903 1.00 14.21 H new ATOM 0 HZ2 TRP A 41 1.945 0.226 4.617 1.00 24.02 H new ATOM 0 HZ3 TRP A 41 3.824 1.010 0.826 1.00 24.12 H new ATOM 0 HH2 TRP A 41 1.773 0.607 2.159 1.00 41.14 H new ATOM 587 N GLY A 42 8.787 -0.258 7.873 1.00 53.03 N ATOM 588 CA GLY A 42 8.548 0.239 9.207 1.00 5.23 C ATOM 589 C GLY A 42 7.366 1.202 9.210 1.00 43.11 C ATOM 590 O GLY A 42 6.297 0.921 8.660 1.00 41.33 O ATOM 0 H GLY A 42 8.953 -1.264 7.837 1.00 53.03 H new ATOM 0 HA2 GLY A 42 8.349 -0.593 9.882 1.00 5.23 H new ATOM 0 HA3 GLY A 42 9.439 0.745 9.579 1.00 5.23 H new ATOM 594 N THR A 43 7.556 2.370 9.811 1.00 22.52 N ATOM 595 CA THR A 43 6.398 3.100 10.345 1.00 2.20 C ATOM 596 C THR A 43 6.643 4.608 10.567 1.00 54.14 C ATOM 597 O THR A 43 6.110 5.184 11.516 1.00 73.42 O ATOM 598 CB THR A 43 5.854 2.415 11.626 1.00 43.33 C ATOM 599 OG1 THR A 43 6.124 1.024 11.753 1.00 12.21 O ATOM 600 CG2 THR A 43 4.335 2.572 11.647 1.00 50.34 C ATOM 0 H THR A 43 8.460 2.824 9.941 1.00 22.52 H new ATOM 0 HA THR A 43 5.635 3.051 9.569 1.00 2.20 H new ATOM 0 HB THR A 43 6.371 2.908 12.449 1.00 43.33 H new ATOM 0 HG1 THR A 43 5.741 0.692 12.592 1.00 12.21 H new ATOM 0 HG21 THR A 43 3.932 2.096 12.541 1.00 50.34 H new ATOM 0 HG22 THR A 43 4.079 3.631 11.653 1.00 50.34 H new ATOM 0 HG23 THR A 43 3.908 2.100 10.762 1.00 50.34 H new ATOM 608 N GLY A 44 7.408 5.290 9.711 1.00 51.33 N ATOM 609 CA GLY A 44 7.545 6.738 9.876 1.00 71.13 C ATOM 610 C GLY A 44 8.477 7.396 8.876 1.00 12.40 C ATOM 611 O GLY A 44 9.412 8.086 9.282 1.00 30.54 O ATOM 0 H GLY A 44 7.922 4.885 8.929 1.00 51.33 H new ATOM 0 HA2 GLY A 44 6.559 7.196 9.792 1.00 71.13 H new ATOM 0 HA3 GLY A 44 7.908 6.944 10.883 1.00 71.13 H new ATOM 615 N ALA A 45 8.224 7.190 7.580 1.00 51.21 N ATOM 616 CA ALA A 45 8.983 7.655 6.417 1.00 24.24 C ATOM 617 C ALA A 45 10.367 7.010 6.340 1.00 1.22 C ATOM 618 O ALA A 45 10.657 6.308 5.372 1.00 34.20 O ATOM 619 CB ALA A 45 9.028 9.188 6.347 1.00 73.52 C ATOM 0 H ALA A 45 7.411 6.645 7.294 1.00 51.21 H new ATOM 0 HA ALA A 45 8.451 7.324 5.525 1.00 24.24 H new ATOM 0 HB1 ALA A 45 9.600 9.496 5.471 1.00 73.52 H new ATOM 0 HB2 ALA A 45 8.013 9.579 6.274 1.00 73.52 H new ATOM 0 HB3 ALA A 45 9.503 9.579 7.246 1.00 73.52 H new ATOM 625 N GLU A 46 11.167 7.184 7.390 1.00 70.52 N ATOM 626 CA GLU A 46 12.482 6.619 7.625 1.00 64.12 C ATOM 627 C GLU A 46 12.470 5.129 7.286 1.00 45.15 C ATOM 628 O GLU A 46 13.306 4.657 6.520 1.00 64.53 O ATOM 629 CB GLU A 46 12.847 6.838 9.110 1.00 1.10 C ATOM 630 CG GLU A 46 14.018 7.802 9.367 1.00 74.35 C ATOM 631 CD GLU A 46 14.938 7.279 10.477 1.00 70.23 C ATOM 632 OE1 GLU A 46 14.445 6.855 11.551 1.00 61.53 O ATOM 633 OE2 GLU A 46 16.151 7.157 10.227 1.00 32.43 O ATOM 0 H GLU A 46 10.879 7.780 8.166 1.00 70.52 H new ATOM 0 HA GLU A 46 13.225 7.105 6.993 1.00 64.12 H new ATOM 0 HB2 GLU A 46 11.967 7.215 9.631 1.00 1.10 H new ATOM 0 HB3 GLU A 46 13.090 5.872 9.553 1.00 1.10 H new ATOM 0 HG2 GLU A 46 14.591 7.934 8.449 1.00 74.35 H new ATOM 0 HG3 GLU A 46 13.630 8.782 9.645 1.00 74.35 H new ATOM 638 N GLY A 47 11.492 4.391 7.818 1.00 62.53 N ATOM 639 CA GLY A 47 11.397 2.956 7.616 1.00 1.03 C ATOM 640 C GLY A 47 11.388 2.578 6.127 1.00 10.41 C ATOM 641 O GLY A 47 12.069 1.639 5.720 1.00 50.21 O ATOM 0 H GLY A 47 10.748 4.778 8.399 1.00 62.53 H new ATOM 0 HA2 GLY A 47 12.237 2.465 8.108 1.00 1.03 H new ATOM 0 HA3 GLY A 47 10.488 2.584 8.089 1.00 1.03 H new ATOM 645 N ALA A 48 10.616 3.306 5.309 1.00 42.15 N ATOM 646 CA ALA A 48 10.527 3.081 3.871 1.00 1.14 C ATOM 647 C ALA A 48 11.820 3.535 3.192 1.00 24.02 C ATOM 648 O ALA A 48 12.256 2.922 2.221 1.00 63.32 O ATOM 649 CB ALA A 48 9.310 3.824 3.285 1.00 22.32 C ATOM 0 H ALA A 48 10.031 4.075 5.637 1.00 42.15 H new ATOM 0 HA ALA A 48 10.393 2.015 3.686 1.00 1.14 H new ATOM 0 HB1 ALA A 48 9.258 3.646 2.211 1.00 22.32 H new ATOM 0 HB2 ALA A 48 8.398 3.459 3.758 1.00 22.32 H new ATOM 0 HB3 ALA A 48 9.412 4.893 3.471 1.00 22.32 H new ATOM 655 N ARG A 49 12.455 4.599 3.690 1.00 25.30 N ATOM 656 CA ARG A 49 13.679 5.151 3.118 1.00 51.24 C ATOM 657 C ARG A 49 14.819 4.161 3.304 1.00 10.54 C ATOM 658 O ARG A 49 15.635 3.978 2.402 1.00 2.21 O ATOM 659 CB ARG A 49 13.926 6.506 3.804 1.00 62.44 C ATOM 660 CG ARG A 49 15.274 7.173 3.510 1.00 65.03 C ATOM 661 CD ARG A 49 16.269 6.820 4.615 1.00 44.15 C ATOM 662 NE ARG A 49 17.499 7.615 4.495 1.00 30.10 N ATOM 663 CZ ARG A 49 17.906 8.563 5.349 1.00 71.22 C ATOM 664 NH1 ARG A 49 17.294 8.773 6.509 1.00 51.14 N ATOM 665 NH2 ARG A 49 18.935 9.322 5.016 1.00 63.44 N ATOM 0 H ARG A 49 12.127 5.106 4.512 1.00 25.30 H new ATOM 0 HA ARG A 49 13.599 5.317 2.044 1.00 51.24 H new ATOM 0 HB2 ARG A 49 13.132 7.191 3.507 1.00 62.44 H new ATOM 0 HB3 ARG A 49 13.840 6.366 4.882 1.00 62.44 H new ATOM 0 HG2 ARG A 49 15.654 6.840 2.544 1.00 65.03 H new ATOM 0 HG3 ARG A 49 15.151 8.254 3.448 1.00 65.03 H new ATOM 0 HD2 ARG A 49 15.813 6.996 5.589 1.00 44.15 H new ATOM 0 HD3 ARG A 49 16.512 5.759 4.564 1.00 44.15 H new ATOM 0 HE ARG A 49 18.096 7.428 3.689 1.00 30.10 H new ATOM 0 HH11 ARG A 49 16.489 8.204 6.771 1.00 51.14 H new ATOM 0 HH12 ARG A 49 17.629 9.503 7.137 1.00 51.14 H new ATOM 0 HH21 ARG A 49 19.405 9.181 4.122 1.00 63.44 H new ATOM 0 HH22 ARG A 49 19.260 10.049 5.653 1.00 63.44 H new ATOM 676 N GLN A 50 14.871 3.503 4.455 1.00 22.41 N ATOM 677 CA GLN A 50 15.888 2.531 4.793 1.00 45.35 C ATOM 678 C GLN A 50 15.795 1.292 3.938 1.00 70.33 C ATOM 679 O GLN A 50 16.805 0.616 3.828 1.00 1.32 O ATOM 680 CB GLN A 50 15.681 2.090 6.237 1.00 13.21 C ATOM 681 CG GLN A 50 16.284 3.075 7.230 1.00 4.01 C ATOM 682 CD GLN A 50 15.434 3.068 8.484 1.00 51.21 C ATOM 683 OE1 GLN A 50 15.057 2.011 8.991 1.00 30.30 O ATOM 684 NE2 GLN A 50 15.049 4.241 8.931 1.00 22.44 N ATOM 0 H GLN A 50 14.184 3.639 5.197 1.00 22.41 H new ATOM 0 HA GLN A 50 16.857 3.004 4.635 1.00 45.35 H new ATOM 0 HB2 GLN A 50 14.614 1.985 6.434 1.00 13.21 H new ATOM 0 HB3 GLN A 50 16.130 1.108 6.383 1.00 13.21 H new ATOM 0 HG2 GLN A 50 17.311 2.795 7.466 1.00 4.01 H new ATOM 0 HG3 GLN A 50 16.317 4.076 6.799 1.00 4.01 H new ATOM 0 HE21 GLN A 50 15.385 5.093 8.482 1.00 22.44 H new ATOM 0 HE22 GLN A 50 14.414 4.300 9.727 1.00 22.44 H new ATOM 691 N ARG A 51 14.626 0.967 3.384 1.00 63.01 N ATOM 692 CA ARG A 51 14.435 -0.267 2.632 1.00 24.01 C ATOM 693 C ARG A 51 14.497 -0.033 1.124 1.00 10.31 C ATOM 694 O ARG A 51 14.675 -0.971 0.353 1.00 45.51 O ATOM 695 CB ARG A 51 13.091 -0.881 3.086 1.00 71.13 C ATOM 696 CG ARG A 51 13.051 -2.409 3.018 1.00 11.41 C ATOM 697 CD ARG A 51 13.911 -3.042 4.122 1.00 22.41 C ATOM 698 NE ARG A 51 13.929 -4.503 4.008 1.00 25.52 N ATOM 699 CZ ARG A 51 14.811 -5.330 4.580 1.00 34.20 C ATOM 700 NH1 ARG A 51 15.726 -4.898 5.441 1.00 64.34 N ATOM 701 NH2 ARG A 51 14.798 -6.613 4.264 1.00 10.03 N ATOM 0 H ARG A 51 13.791 1.550 3.445 1.00 63.01 H new ATOM 0 HA ARG A 51 15.245 -0.966 2.838 1.00 24.01 H new ATOM 0 HB2 ARG A 51 12.887 -0.568 4.110 1.00 71.13 H new ATOM 0 HB3 ARG A 51 12.291 -0.479 2.464 1.00 71.13 H new ATOM 0 HG2 ARG A 51 12.021 -2.752 3.115 1.00 11.41 H new ATOM 0 HG3 ARG A 51 13.407 -2.741 2.043 1.00 11.41 H new ATOM 0 HD2 ARG A 51 14.929 -2.657 4.059 1.00 22.41 H new ATOM 0 HD3 ARG A 51 13.522 -2.756 5.099 1.00 22.41 H new ATOM 0 HE ARG A 51 13.199 -4.930 3.438 1.00 25.52 H new ATOM 0 HH11 ARG A 51 15.771 -3.908 5.684 1.00 64.34 H new ATOM 0 HH12 ARG A 51 16.384 -5.556 5.859 1.00 64.34 H new ATOM 0 HH21 ARG A 51 14.119 -6.965 3.589 1.00 10.03 H new ATOM 0 HH22 ARG A 51 15.467 -7.251 4.695 1.00 10.03 H new ATOM 712 N LEU A 52 14.335 1.224 0.714 1.00 62.34 N ATOM 713 CA LEU A 52 14.309 1.697 -0.657 1.00 10.40 C ATOM 714 C LEU A 52 15.699 1.656 -1.277 1.00 64.02 C ATOM 715 O LEU A 52 15.915 1.049 -2.323 1.00 51.32 O ATOM 716 CB LEU A 52 13.781 3.145 -0.623 1.00 30.24 C ATOM 717 CG LEU A 52 13.973 3.932 -1.932 1.00 54.15 C ATOM 718 CD1 LEU A 52 13.295 3.239 -3.110 1.00 51.43 C ATOM 719 CD2 LEU A 52 13.428 5.352 -1.776 1.00 73.32 C ATOM 0 H LEU A 52 14.211 1.985 1.381 1.00 62.34 H new ATOM 0 HA LEU A 52 13.669 1.059 -1.266 1.00 10.40 H new ATOM 0 HB2 LEU A 52 12.719 3.124 -0.380 1.00 30.24 H new ATOM 0 HB3 LEU A 52 14.282 3.681 0.184 1.00 30.24 H new ATOM 0 HG LEU A 52 15.042 3.974 -2.140 1.00 54.15 H new ATOM 0 HD11 LEU A 52 13.452 3.824 -4.016 1.00 51.43 H new ATOM 0 HD12 LEU A 52 13.721 2.245 -3.242 1.00 51.43 H new ATOM 0 HD13 LEU A 52 12.226 3.153 -2.915 1.00 51.43 H new ATOM 0 HD21 LEU A 52 13.569 5.900 -2.708 1.00 73.32 H new ATOM 0 HD22 LEU A 52 12.365 5.310 -1.537 1.00 73.32 H new ATOM 0 HD23 LEU A 52 13.961 5.860 -0.972 1.00 73.32 H new ATOM 730 N GLU A 53 16.619 2.414 -0.680 1.00 34.32 N ATOM 731 CA GLU A 53 17.824 2.915 -1.344 1.00 70.23 C ATOM 732 C GLU A 53 18.885 1.825 -1.540 1.00 34.40 C ATOM 733 O GLU A 53 19.964 2.083 -2.077 1.00 54.53 O ATOM 734 CB GLU A 53 18.343 4.139 -0.558 1.00 1.51 C ATOM 735 CG GLU A 53 17.265 5.246 -0.462 1.00 4.32 C ATOM 736 CD GLU A 53 17.688 6.584 0.162 1.00 22.01 C ATOM 737 OE1 GLU A 53 18.369 6.590 1.218 1.00 43.14 O ATOM 738 OE2 GLU A 53 17.247 7.640 -0.347 1.00 21.20 O ATOM 0 H GLU A 53 16.547 2.702 0.296 1.00 34.32 H new ATOM 0 HA GLU A 53 17.575 3.231 -2.357 1.00 70.23 H new ATOM 0 HB2 GLU A 53 18.640 3.831 0.444 1.00 1.51 H new ATOM 0 HB3 GLU A 53 19.233 4.537 -1.046 1.00 1.51 H new ATOM 0 HG2 GLU A 53 16.894 5.444 -1.467 1.00 4.32 H new ATOM 0 HG3 GLU A 53 16.428 4.853 0.115 1.00 4.32 H new ATOM 743 N ASN A 54 18.574 0.605 -1.107 1.00 61.21 N ATOM 744 CA ASN A 54 19.522 -0.479 -0.908 1.00 72.13 C ATOM 745 C ASN A 54 18.875 -1.850 -1.089 1.00 45.25 C ATOM 746 O ASN A 54 19.470 -2.841 -0.671 1.00 3.10 O ATOM 747 CB ASN A 54 20.127 -0.331 0.500 1.00 52.14 C ATOM 748 CG ASN A 54 19.013 -0.147 1.518 1.00 52.42 C ATOM 749 OD1 ASN A 54 18.110 -0.966 1.627 1.00 33.31 O ATOM 750 ND2 ASN A 54 18.936 1.017 2.141 1.00 65.25 N ATOM 0 H ASN A 54 17.617 0.338 -0.877 1.00 61.21 H new ATOM 0 HA ASN A 54 20.305 -0.415 -1.664 1.00 72.13 H new ATOM 0 HB2 ASN A 54 20.717 -1.213 0.748 1.00 52.14 H new ATOM 0 HB3 ASN A 54 20.803 0.523 0.528 1.00 52.14 H new ATOM 0 HD21 ASN A 54 18.122 1.235 2.715 1.00 65.25 H new ATOM 0 HD22 ASN A 54 19.691 1.697 2.047 1.00 65.25 H new ATOM 756 N ILE A 55 17.675 -1.905 -1.681 1.00 73.11 N ATOM 757 CA ILE A 55 16.813 -3.083 -1.673 1.00 50.53 C ATOM 758 C ILE A 55 17.553 -4.331 -2.167 1.00 14.32 C ATOM 759 O ILE A 55 18.513 -4.232 -2.932 1.00 71.45 O ATOM 760 CB ILE A 55 15.525 -2.780 -2.475 1.00 3.20 C ATOM 761 CG1 ILE A 55 14.346 -3.661 -2.016 1.00 53.13 C ATOM 762 CG2 ILE A 55 15.720 -2.955 -3.992 1.00 0.30 C ATOM 763 CD1 ILE A 55 13.011 -2.986 -2.329 1.00 53.25 C ATOM 0 H ILE A 55 17.273 -1.115 -2.187 1.00 73.11 H new ATOM 0 HA ILE A 55 16.521 -3.311 -0.648 1.00 50.53 H new ATOM 0 HB ILE A 55 15.294 -1.734 -2.274 1.00 3.20 H new ATOM 0 HG12 ILE A 55 14.395 -4.630 -2.514 1.00 53.13 H new ATOM 0 HG13 ILE A 55 14.422 -3.849 -0.945 1.00 53.13 H new ATOM 0 HG21 ILE A 55 14.786 -2.730 -4.507 1.00 0.30 H new ATOM 0 HG22 ILE A 55 16.499 -2.276 -4.339 1.00 0.30 H new ATOM 0 HG23 ILE A 55 16.013 -3.983 -4.205 1.00 0.30 H new ATOM 0 HD11 ILE A 55 12.193 -3.625 -1.997 1.00 53.25 H new ATOM 0 HD12 ILE A 55 12.957 -2.029 -1.811 1.00 53.25 H new ATOM 0 HD13 ILE A 55 12.929 -2.822 -3.403 1.00 53.25 H new ATOM 774 N GLN A 56 17.074 -5.512 -1.778 1.00 25.41 N ATOM 775 CA GLN A 56 17.657 -6.766 -2.231 1.00 71.21 C ATOM 776 C GLN A 56 16.645 -7.502 -3.111 1.00 53.22 C ATOM 777 O GLN A 56 15.442 -7.292 -2.948 1.00 72.31 O ATOM 778 CB GLN A 56 18.015 -7.638 -1.023 1.00 43.32 C ATOM 779 CG GLN A 56 19.250 -7.131 -0.273 1.00 41.22 C ATOM 780 CD GLN A 56 18.895 -6.330 0.982 1.00 12.43 C ATOM 781 OE1 GLN A 56 18.461 -6.891 1.993 1.00 70.03 O ATOM 782 NE2 GLN A 56 19.087 -5.025 0.973 1.00 45.34 N ATOM 0 H GLN A 56 16.280 -5.622 -1.147 1.00 25.41 H new ATOM 0 HA GLN A 56 18.561 -6.560 -2.803 1.00 71.21 H new ATOM 0 HB2 GLN A 56 17.167 -7.669 -0.339 1.00 43.32 H new ATOM 0 HB3 GLN A 56 18.193 -8.660 -1.358 1.00 43.32 H new ATOM 0 HG2 GLN A 56 19.873 -7.980 0.008 1.00 41.22 H new ATOM 0 HG3 GLN A 56 19.844 -6.507 -0.941 1.00 41.22 H new ATOM 0 HE21 GLN A 56 19.446 -4.568 0.135 1.00 45.34 H new ATOM 0 HE22 GLN A 56 18.877 -4.473 1.804 1.00 45.34 H new ATOM 789 N PRO A 57 17.103 -8.450 -3.946 1.00 52.52 N ATOM 790 CA PRO A 57 16.272 -9.342 -4.752 1.00 54.31 C ATOM 791 C PRO A 57 15.550 -10.434 -3.956 1.00 33.23 C ATOM 792 O PRO A 57 14.748 -11.193 -4.504 1.00 72.03 O ATOM 793 CB PRO A 57 17.209 -9.948 -5.762 1.00 0.14 C ATOM 794 CG PRO A 57 18.572 -9.929 -5.085 1.00 35.24 C ATOM 795 CD PRO A 57 18.507 -8.693 -4.204 1.00 62.34 C ATOM 0 HA PRO A 57 15.460 -8.772 -5.203 1.00 54.31 H new ATOM 0 HB2 PRO A 57 16.909 -10.964 -6.021 1.00 0.14 H new ATOM 0 HB3 PRO A 57 17.219 -9.373 -6.688 1.00 0.14 H new ATOM 0 HG2 PRO A 57 18.743 -10.832 -4.499 1.00 35.24 H new ATOM 0 HG3 PRO A 57 19.381 -9.863 -5.812 1.00 35.24 H new ATOM 0 HD2 PRO A 57 19.052 -8.850 -3.273 1.00 62.34 H new ATOM 0 HD3 PRO A 57 18.965 -7.837 -4.700 1.00 62.34 H new ATOM 800 N ALA A 58 15.828 -10.507 -2.661 1.00 33.03 N ATOM 801 CA ALA A 58 15.053 -11.281 -1.717 1.00 21.13 C ATOM 802 C ALA A 58 13.856 -10.522 -1.162 1.00 34.34 C ATOM 803 O ALA A 58 12.876 -11.126 -0.734 1.00 52.35 O ATOM 804 CB ALA A 58 15.993 -11.655 -0.582 1.00 72.43 C ATOM 0 H ALA A 58 16.615 -10.018 -2.235 1.00 33.03 H new ATOM 0 HA ALA A 58 14.645 -12.155 -2.225 1.00 21.13 H new ATOM 0 HB1 ALA A 58 15.452 -12.243 0.160 1.00 72.43 H new ATOM 0 HB2 ALA A 58 16.823 -12.242 -0.975 1.00 72.43 H new ATOM 0 HB3 ALA A 58 16.379 -10.749 -0.115 1.00 72.43 H new ATOM 810 N ASP A 59 13.932 -9.196 -1.140 1.00 30.23 N ATOM 811 CA ASP A 59 12.992 -8.382 -0.381 1.00 12.12 C ATOM 812 C ASP A 59 11.631 -8.260 -1.062 1.00 24.02 C ATOM 813 O ASP A 59 10.651 -7.869 -0.438 1.00 73.25 O ATOM 814 CB ASP A 59 13.620 -6.996 -0.182 1.00 34.42 C ATOM 815 CG ASP A 59 13.224 -6.389 1.155 1.00 61.15 C ATOM 816 OD1 ASP A 59 13.120 -7.139 2.152 1.00 33.13 O ATOM 817 OD2 ASP A 59 13.200 -5.153 1.302 1.00 44.31 O ATOM 0 H ASP A 59 14.640 -8.660 -1.643 1.00 30.23 H new ATOM 0 HA ASP A 59 12.805 -8.867 0.577 1.00 12.12 H new ATOM 0 HB2 ASP A 59 14.706 -7.076 -0.239 1.00 34.42 H new ATOM 0 HB3 ASP A 59 13.307 -6.335 -0.990 1.00 34.42 H new ATOM 821 N VAL A 60 11.561 -8.631 -2.336 1.00 51.45 N ATOM 822 CA VAL A 60 10.334 -8.781 -3.099 1.00 22.14 C ATOM 823 C VAL A 60 9.908 -10.247 -3.064 1.00 55.54 C ATOM 824 O VAL A 60 8.713 -10.524 -2.949 1.00 32.11 O ATOM 825 CB VAL A 60 10.543 -8.260 -4.533 1.00 55.22 C ATOM 826 CG1 VAL A 60 9.275 -8.322 -5.385 1.00 40.14 C ATOM 827 CG2 VAL A 60 11.048 -6.808 -4.518 1.00 22.02 C ATOM 0 H VAL A 60 12.394 -8.843 -2.885 1.00 51.45 H new ATOM 0 HA VAL A 60 9.531 -8.188 -2.661 1.00 22.14 H new ATOM 0 HB VAL A 60 11.286 -8.920 -4.981 1.00 55.22 H new ATOM 0 HG11 VAL A 60 9.489 -7.941 -6.384 1.00 40.14 H new ATOM 0 HG12 VAL A 60 8.934 -9.355 -5.456 1.00 40.14 H new ATOM 0 HG13 VAL A 60 8.497 -7.714 -4.924 1.00 40.14 H new ATOM 0 HG21 VAL A 60 11.189 -6.461 -5.542 1.00 22.02 H new ATOM 0 HG22 VAL A 60 10.317 -6.174 -4.017 1.00 22.02 H new ATOM 0 HG23 VAL A 60 11.997 -6.758 -3.985 1.00 22.02 H new ATOM 837 N SER A 61 10.847 -11.203 -3.090 1.00 34.34 N ATOM 838 CA SER A 61 10.544 -12.631 -3.042 1.00 3.12 C ATOM 839 C SER A 61 10.090 -13.104 -1.653 1.00 50.15 C ATOM 840 O SER A 61 10.098 -14.305 -1.383 1.00 21.23 O ATOM 841 CB SER A 61 11.715 -13.465 -3.585 1.00 72.33 C ATOM 842 OG SER A 61 12.843 -13.466 -2.747 1.00 15.32 O ATOM 0 H SER A 61 11.845 -11.000 -3.145 1.00 34.34 H new ATOM 0 HA SER A 61 9.689 -12.792 -3.699 1.00 3.12 H new ATOM 0 HB2 SER A 61 11.381 -14.492 -3.731 1.00 72.33 H new ATOM 0 HB3 SER A 61 12.001 -13.080 -4.564 1.00 72.33 H new ATOM 0 HG SER A 61 13.549 -14.015 -3.149 1.00 15.32 H new ATOM 847 N MET A 62 9.614 -12.208 -0.796 1.00 34.10 N ATOM 848 CA MET A 62 8.890 -12.497 0.427 1.00 63.03 C ATOM 849 C MET A 62 7.418 -12.110 0.295 1.00 23.01 C ATOM 850 O MET A 62 6.573 -12.688 0.964 1.00 72.23 O ATOM 851 CB MET A 62 9.589 -11.757 1.567 1.00 51.23 C ATOM 852 CG MET A 62 9.428 -10.235 1.536 1.00 21.34 C ATOM 853 SD MET A 62 10.562 -9.382 2.655 1.00 41.44 S ATOM 854 CE MET A 62 10.057 -10.182 4.190 1.00 41.44 C ATOM 0 H MET A 62 9.732 -11.206 -0.948 1.00 34.10 H new ATOM 0 HA MET A 62 8.898 -13.567 0.637 1.00 63.03 H new ATOM 0 HB2 MET A 62 9.202 -12.130 2.515 1.00 51.23 H new ATOM 0 HB3 MET A 62 10.652 -11.997 1.540 1.00 51.23 H new ATOM 0 HG2 MET A 62 9.593 -9.878 0.519 1.00 21.34 H new ATOM 0 HG3 MET A 62 8.403 -9.978 1.802 1.00 21.34 H new ATOM 0 HE1 MET A 62 10.187 -9.489 5.021 1.00 41.44 H new ATOM 0 HE2 MET A 62 9.009 -10.473 4.121 1.00 41.44 H new ATOM 0 HE3 MET A 62 10.669 -11.068 4.357 1.00 41.44 H new ATOM 862 N ILE A 63 7.082 -11.158 -0.572 1.00 22.23 N ATOM 863 CA ILE A 63 5.756 -10.570 -0.693 1.00 12.11 C ATOM 864 C ILE A 63 4.834 -11.515 -1.469 1.00 5.20 C ATOM 865 O ILE A 63 3.659 -11.653 -1.116 1.00 3.52 O ATOM 866 CB ILE A 63 5.867 -9.184 -1.376 1.00 3.53 C ATOM 867 CG1 ILE A 63 6.949 -8.278 -0.736 1.00 25.34 C ATOM 868 CG2 ILE A 63 4.509 -8.461 -1.338 1.00 23.32 C ATOM 869 CD1 ILE A 63 7.283 -7.073 -1.615 1.00 3.22 C ATOM 0 H ILE A 63 7.752 -10.763 -1.232 1.00 22.23 H new ATOM 0 HA ILE A 63 5.321 -10.425 0.296 1.00 12.11 H new ATOM 0 HB ILE A 63 6.167 -9.371 -2.407 1.00 3.53 H new ATOM 0 HG12 ILE A 63 6.602 -7.931 0.237 1.00 25.34 H new ATOM 0 HG13 ILE A 63 7.853 -8.861 -0.562 1.00 25.34 H new ATOM 0 HG21 ILE A 63 4.601 -7.488 -1.821 1.00 23.32 H new ATOM 0 HG22 ILE A 63 3.764 -9.058 -1.864 1.00 23.32 H new ATOM 0 HG23 ILE A 63 4.199 -8.324 -0.302 1.00 23.32 H new ATOM 0 HD11 ILE A 63 8.046 -6.467 -1.126 1.00 3.22 H new ATOM 0 HD12 ILE A 63 7.656 -7.418 -2.579 1.00 3.22 H new ATOM 0 HD13 ILE A 63 6.385 -6.474 -1.767 1.00 3.22 H new ATOM 880 N LYS A 64 5.339 -12.202 -2.499 1.00 2.23 N ATOM 881 CA LYS A 64 4.527 -13.157 -3.254 1.00 42.33 C ATOM 882 C LYS A 64 4.111 -14.328 -2.366 1.00 60.35 C ATOM 883 O LYS A 64 3.012 -14.858 -2.543 1.00 33.30 O ATOM 884 CB LYS A 64 5.215 -13.623 -4.558 1.00 23.34 C ATOM 885 CG LYS A 64 5.754 -12.486 -5.434 1.00 61.45 C ATOM 886 CD LYS A 64 7.250 -12.201 -5.322 1.00 33.13 C ATOM 887 CE LYS A 64 8.147 -12.999 -6.285 1.00 32.44 C ATOM 888 NZ LYS A 64 8.904 -12.145 -7.235 1.00 11.44 N ATOM 0 H LYS A 64 6.301 -12.114 -2.826 1.00 2.23 H new ATOM 0 HA LYS A 64 3.621 -12.640 -3.570 1.00 42.33 H new ATOM 0 HB2 LYS A 64 6.039 -14.289 -4.301 1.00 23.34 H new ATOM 0 HB3 LYS A 64 4.503 -14.207 -5.141 1.00 23.34 H new ATOM 0 HG2 LYS A 64 5.526 -12.717 -6.474 1.00 61.45 H new ATOM 0 HG3 LYS A 64 5.212 -11.574 -5.184 1.00 61.45 H new ATOM 0 HD2 LYS A 64 7.414 -11.138 -5.496 1.00 33.13 H new ATOM 0 HD3 LYS A 64 7.567 -12.409 -4.300 1.00 33.13 H new ATOM 0 HE2 LYS A 64 8.851 -13.594 -5.704 1.00 32.44 H new ATOM 0 HE3 LYS A 64 7.529 -13.697 -6.850 1.00 32.44 H new ATOM 0 HZ1 LYS A 64 9.809 -12.601 -7.466 1.00 11.44 H new ATOM 0 HZ2 LYS A 64 8.349 -12.017 -8.105 1.00 11.44 H new ATOM 0 HZ3 LYS A 64 9.085 -11.218 -6.800 1.00 11.44 H new ATOM 898 N LYS A 65 4.904 -14.682 -1.341 1.00 52.15 N ATOM 899 CA LYS A 65 4.539 -15.753 -0.423 1.00 72.02 C ATOM 900 C LYS A 65 3.294 -15.388 0.386 1.00 51.15 C ATOM 901 O LYS A 65 2.609 -16.274 0.894 1.00 34.34 O ATOM 902 CB LYS A 65 5.728 -16.085 0.505 1.00 71.15 C ATOM 903 CG LYS A 65 6.799 -16.994 -0.140 1.00 1.32 C ATOM 904 CD LYS A 65 8.120 -16.306 -0.505 1.00 31.44 C ATOM 905 CE LYS A 65 9.373 -17.020 0.014 1.00 3.23 C ATOM 906 NZ LYS A 65 9.881 -18.016 -0.949 1.00 51.22 N ATOM 0 H LYS A 65 5.799 -14.238 -1.135 1.00 52.15 H new ATOM 0 HA LYS A 65 4.298 -16.641 -1.008 1.00 72.02 H new ATOM 0 HB2 LYS A 65 6.199 -15.154 0.820 1.00 71.15 H new ATOM 0 HB3 LYS A 65 5.348 -16.571 1.404 1.00 71.15 H new ATOM 0 HG2 LYS A 65 7.014 -17.814 0.545 1.00 1.32 H new ATOM 0 HG3 LYS A 65 6.379 -17.436 -1.043 1.00 1.32 H new ATOM 0 HD2 LYS A 65 8.186 -16.226 -1.590 1.00 31.44 H new ATOM 0 HD3 LYS A 65 8.107 -15.290 -0.111 1.00 31.44 H new ATOM 0 HE2 LYS A 65 10.151 -16.284 0.219 1.00 3.23 H new ATOM 0 HE3 LYS A 65 9.144 -17.513 0.959 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 10.729 -18.475 -0.559 1.00 51.22 H new ATOM 0 HZ2 LYS A 65 9.149 -18.733 -1.126 1.00 51.22 H new ATOM 0 HZ3 LYS A 65 10.124 -17.542 -1.842 1.00 51.22 H new ATOM 916 N GLN A 66 2.940 -14.105 0.465 1.00 54.14 N ATOM 917 CA GLN A 66 1.847 -13.603 1.286 1.00 23.31 C ATOM 918 C GLN A 66 0.508 -13.697 0.549 1.00 43.55 C ATOM 919 O GLN A 66 -0.502 -13.194 1.035 1.00 52.13 O ATOM 920 CB GLN A 66 2.109 -12.168 1.751 1.00 23.30 C ATOM 921 CG GLN A 66 3.557 -11.950 2.139 1.00 14.40 C ATOM 922 CD GLN A 66 4.023 -12.677 3.387 1.00 22.01 C ATOM 923 OE1 GLN A 66 3.267 -13.010 4.304 1.00 25.41 O ATOM 924 NE2 GLN A 66 5.323 -12.832 3.460 1.00 41.12 N ATOM 0 H GLN A 66 3.420 -13.370 -0.055 1.00 54.14 H new ATOM 0 HA GLN A 66 1.791 -14.237 2.171 1.00 23.31 H new ATOM 0 HB2 GLN A 66 1.839 -11.474 0.955 1.00 23.30 H new ATOM 0 HB3 GLN A 66 1.468 -11.941 2.603 1.00 23.30 H new ATOM 0 HG2 GLN A 66 4.187 -12.258 1.305 1.00 14.40 H new ATOM 0 HG3 GLN A 66 3.718 -10.882 2.282 1.00 14.40 H new ATOM 0 HE21 GLN A 66 5.915 -12.544 2.681 1.00 41.12 H new ATOM 0 HE22 GLN A 66 5.742 -13.240 4.296 1.00 41.12 H new ATOM 931 N GLY A 67 0.506 -14.265 -0.663 1.00 63.03 N ATOM 932 CA GLY A 67 -0.665 -14.272 -1.517 1.00 24.13 C ATOM 933 C GLY A 67 -0.859 -12.932 -2.219 1.00 0.31 C ATOM 934 O GLY A 67 -1.988 -12.548 -2.517 1.00 33.41 O ATOM 0 H GLY A 67 1.319 -14.729 -1.069 1.00 63.03 H new ATOM 0 HA2 GLY A 67 -0.568 -15.062 -2.262 1.00 24.13 H new ATOM 0 HA3 GLY A 67 -1.548 -14.502 -0.921 1.00 24.13 H new ATOM 938 N THR A 68 0.223 -12.191 -2.449 1.00 43.15 N ATOM 939 CA THR A 68 0.166 -10.908 -3.145 1.00 72.44 C ATOM 940 C THR A 68 0.369 -11.149 -4.645 1.00 54.14 C ATOM 941 O THR A 68 0.994 -12.143 -5.029 1.00 3.34 O ATOM 942 CB THR A 68 1.249 -9.976 -2.576 1.00 35.03 C ATOM 943 OG1 THR A 68 1.381 -10.134 -1.177 1.00 43.31 O ATOM 944 CG2 THR A 68 0.936 -8.500 -2.816 1.00 42.11 C ATOM 0 H THR A 68 1.162 -12.463 -2.159 1.00 43.15 H new ATOM 0 HA THR A 68 -0.804 -10.432 -2.999 1.00 72.44 H new ATOM 0 HB THR A 68 2.166 -10.255 -3.096 1.00 35.03 H new ATOM 0 HG1 THR A 68 2.201 -10.633 -0.980 1.00 43.31 H new ATOM 0 HG21 THR A 68 1.732 -7.886 -2.395 1.00 42.11 H new ATOM 0 HG22 THR A 68 0.862 -8.313 -3.887 1.00 42.11 H new ATOM 0 HG23 THR A 68 -0.010 -8.246 -2.337 1.00 42.11 H new ATOM 952 N THR A 69 -0.074 -10.217 -5.489 1.00 23.22 N ATOM 953 CA THR A 69 0.261 -10.180 -6.905 1.00 13.52 C ATOM 954 C THR A 69 0.822 -8.803 -7.260 1.00 74.35 C ATOM 955 O THR A 69 0.768 -7.881 -6.444 1.00 60.33 O ATOM 956 CB THR A 69 -0.950 -10.554 -7.769 1.00 73.02 C ATOM 957 OG1 THR A 69 -2.080 -9.746 -7.506 1.00 14.43 O ATOM 958 CG2 THR A 69 -1.356 -12.013 -7.571 1.00 44.41 C ATOM 0 H THR A 69 -0.686 -9.455 -5.198 1.00 23.22 H new ATOM 0 HA THR A 69 1.030 -10.924 -7.114 1.00 13.52 H new ATOM 0 HB THR A 69 -0.628 -10.390 -8.797 1.00 73.02 H new ATOM 0 HG1 THR A 69 -2.822 -10.024 -8.083 1.00 14.43 H new ATOM 0 HG21 THR A 69 -2.217 -12.240 -8.200 1.00 44.41 H new ATOM 0 HG22 THR A 69 -0.525 -12.662 -7.846 1.00 44.41 H new ATOM 0 HG23 THR A 69 -1.616 -12.180 -6.526 1.00 44.41 H new ATOM 966 N LEU A 70 1.363 -8.663 -8.473 1.00 64.12 N ATOM 967 CA LEU A 70 1.984 -7.423 -8.924 1.00 22.24 C ATOM 968 C LEU A 70 0.958 -6.301 -8.991 1.00 62.12 C ATOM 969 O LEU A 70 1.272 -5.166 -8.650 1.00 43.25 O ATOM 970 CB LEU A 70 2.634 -7.655 -10.294 1.00 22.14 C ATOM 971 CG LEU A 70 3.362 -6.433 -10.879 1.00 60.41 C ATOM 972 CD1 LEU A 70 4.378 -5.830 -9.910 1.00 74.05 C ATOM 973 CD2 LEU A 70 4.109 -6.874 -12.142 1.00 21.21 C ATOM 0 H LEU A 70 1.381 -9.409 -9.168 1.00 64.12 H new ATOM 0 HA LEU A 70 2.752 -7.123 -8.211 1.00 22.24 H new ATOM 0 HB2 LEU A 70 3.345 -8.477 -10.208 1.00 22.14 H new ATOM 0 HB3 LEU A 70 1.863 -7.972 -10.997 1.00 22.14 H new ATOM 0 HG LEU A 70 2.611 -5.672 -11.089 1.00 60.41 H new ATOM 0 HD11 LEU A 70 4.861 -4.971 -10.377 1.00 74.05 H new ATOM 0 HD12 LEU A 70 3.868 -5.510 -9.001 1.00 74.05 H new ATOM 0 HD13 LEU A 70 5.131 -6.578 -9.660 1.00 74.05 H new ATOM 0 HD21 LEU A 70 4.632 -6.020 -12.572 1.00 21.21 H new ATOM 0 HD22 LEU A 70 4.830 -7.650 -11.886 1.00 21.21 H new ATOM 0 HD23 LEU A 70 3.397 -7.266 -12.868 1.00 21.21 H new ATOM 984 N GLU A 71 -0.273 -6.636 -9.381 1.00 40.12 N ATOM 985 CA GLU A 71 -1.384 -5.693 -9.437 1.00 1.54 C ATOM 986 C GLU A 71 -1.645 -5.046 -8.081 1.00 15.12 C ATOM 987 O GLU A 71 -1.966 -3.862 -7.986 1.00 72.12 O ATOM 988 CB GLU A 71 -2.628 -6.440 -9.916 1.00 14.22 C ATOM 989 CG GLU A 71 -2.510 -6.705 -11.412 1.00 72.14 C ATOM 990 CD GLU A 71 -3.772 -7.304 -12.022 1.00 73.03 C ATOM 991 OE1 GLU A 71 -4.008 -8.514 -11.810 1.00 12.12 O ATOM 992 OE2 GLU A 71 -4.447 -6.623 -12.829 1.00 55.23 O ATOM 0 H GLU A 71 -0.526 -7.581 -9.669 1.00 40.12 H new ATOM 0 HA GLU A 71 -1.132 -4.890 -10.130 1.00 1.54 H new ATOM 0 HB2 GLU A 71 -2.732 -7.381 -9.375 1.00 14.22 H new ATOM 0 HB3 GLU A 71 -3.522 -5.852 -9.708 1.00 14.22 H new ATOM 0 HG2 GLU A 71 -2.277 -5.770 -11.922 1.00 72.14 H new ATOM 0 HG3 GLU A 71 -1.674 -7.381 -11.589 1.00 72.14 H new ATOM 997 N MET A 72 -1.449 -5.818 -7.017 1.00 44.32 N ATOM 998 CA MET A 72 -1.670 -5.323 -5.679 1.00 43.33 C ATOM 999 C MET A 72 -0.633 -4.252 -5.319 1.00 1.50 C ATOM 1000 O MET A 72 -0.895 -3.460 -4.420 1.00 74.04 O ATOM 1001 CB MET A 72 -1.668 -6.490 -4.674 1.00 75.41 C ATOM 1002 CG MET A 72 -3.006 -6.608 -3.927 1.00 12.30 C ATOM 1003 SD MET A 72 -4.242 -7.755 -4.608 1.00 1.52 S ATOM 1004 CE MET A 72 -3.490 -9.352 -4.196 1.00 53.53 C ATOM 0 H MET A 72 -1.137 -6.788 -7.064 1.00 44.32 H new ATOM 0 HA MET A 72 -2.650 -4.848 -5.632 1.00 43.33 H new ATOM 0 HB2 MET A 72 -1.463 -7.422 -5.201 1.00 75.41 H new ATOM 0 HB3 MET A 72 -0.862 -6.347 -3.954 1.00 75.41 H new ATOM 0 HG2 MET A 72 -2.794 -6.910 -2.901 1.00 12.30 H new ATOM 0 HG3 MET A 72 -3.455 -5.616 -3.881 1.00 12.30 H new ATOM 0 HE1 MET A 72 -4.272 -10.102 -4.076 1.00 53.53 H new ATOM 0 HE2 MET A 72 -2.816 -9.655 -4.998 1.00 53.53 H new ATOM 0 HE3 MET A 72 -2.929 -9.261 -3.266 1.00 53.53 H new ATOM 1012 N ILE A 73 0.534 -4.212 -5.972 1.00 15.23 N ATOM 1013 CA ILE A 73 1.623 -3.284 -5.667 1.00 12.53 C ATOM 1014 C ILE A 73 1.466 -2.010 -6.492 1.00 60.05 C ATOM 1015 O ILE A 73 1.685 -0.913 -5.969 1.00 64.34 O ATOM 1016 CB ILE A 73 2.981 -3.974 -5.934 1.00 41.15 C ATOM 1017 CG1 ILE A 73 3.099 -5.318 -5.181 1.00 15.54 C ATOM 1018 CG2 ILE A 73 4.186 -3.069 -5.611 1.00 75.01 C ATOM 1019 CD1 ILE A 73 2.865 -5.238 -3.663 1.00 63.25 C ATOM 0 H ILE A 73 0.750 -4.840 -6.746 1.00 15.23 H new ATOM 0 HA ILE A 73 1.588 -3.004 -4.614 1.00 12.53 H new ATOM 0 HB ILE A 73 3.006 -4.175 -7.005 1.00 41.15 H new ATOM 0 HG12 ILE A 73 2.382 -6.020 -5.607 1.00 15.54 H new ATOM 0 HG13 ILE A 73 4.092 -5.730 -5.359 1.00 15.54 H new ATOM 0 HG21 ILE A 73 5.111 -3.607 -5.818 1.00 75.01 H new ATOM 0 HG22 ILE A 73 4.143 -2.171 -6.228 1.00 75.01 H new ATOM 0 HG23 ILE A 73 4.158 -2.788 -4.558 1.00 75.01 H new ATOM 0 HD11 ILE A 73 2.969 -6.231 -3.226 1.00 63.25 H new ATOM 0 HD12 ILE A 73 3.598 -4.566 -3.217 1.00 63.25 H new ATOM 0 HD13 ILE A 73 1.861 -4.860 -3.469 1.00 63.25 H new ATOM 1030 N THR A 74 1.078 -2.146 -7.759 1.00 33.22 N ATOM 1031 CA THR A 74 0.940 -1.033 -8.687 1.00 63.33 C ATOM 1032 C THR A 74 -0.130 -0.048 -8.219 1.00 51.25 C ATOM 1033 O THR A 74 0.051 1.156 -8.397 1.00 21.43 O ATOM 1034 CB THR A 74 0.728 -1.588 -10.109 1.00 4.11 C ATOM 1035 OG1 THR A 74 -0.147 -2.696 -10.124 1.00 53.51 O ATOM 1036 CG2 THR A 74 2.065 -2.109 -10.660 1.00 41.21 C ATOM 0 H THR A 74 0.848 -3.049 -8.173 1.00 33.22 H new ATOM 0 HA THR A 74 1.855 -0.442 -8.713 1.00 63.33 H new ATOM 0 HB THR A 74 0.314 -0.772 -10.701 1.00 4.11 H new ATOM 0 HG1 THR A 74 -0.255 -3.015 -11.044 1.00 53.51 H new ATOM 0 HG21 THR A 74 1.916 -2.502 -11.666 1.00 41.21 H new ATOM 0 HG22 THR A 74 2.788 -1.294 -10.692 1.00 41.21 H new ATOM 0 HG23 THR A 74 2.441 -2.902 -10.013 1.00 41.21 H new ATOM 1044 N ALA A 75 -1.160 -0.494 -7.494 1.00 23.11 N ATOM 1045 CA ALA A 75 -2.089 0.468 -6.919 1.00 61.14 C ATOM 1046 C ALA A 75 -1.464 1.245 -5.760 1.00 31.02 C ATOM 1047 O ALA A 75 -1.662 2.459 -5.672 1.00 22.43 O ATOM 1048 CB ALA A 75 -3.369 -0.218 -6.482 1.00 52.51 C ATOM 0 H ALA A 75 -1.363 -1.474 -7.299 1.00 23.11 H new ATOM 0 HA ALA A 75 -2.332 1.191 -7.698 1.00 61.14 H new ATOM 0 HB1 ALA A 75 -4.049 0.519 -6.055 1.00 52.51 H new ATOM 0 HB2 ALA A 75 -3.841 -0.691 -7.343 1.00 52.51 H new ATOM 0 HB3 ALA A 75 -3.138 -0.976 -5.733 1.00 52.51 H new ATOM 1054 N TRP A 76 -0.728 0.567 -4.861 1.00 52.24 N ATOM 1055 CA TRP A 76 -0.166 1.266 -3.706 1.00 23.24 C ATOM 1056 C TRP A 76 0.889 2.274 -4.137 1.00 3.31 C ATOM 1057 O TRP A 76 1.038 3.291 -3.458 1.00 72.22 O ATOM 1058 CB TRP A 76 0.440 0.296 -2.676 1.00 64.15 C ATOM 1059 CG TRP A 76 -0.566 -0.264 -1.722 1.00 63.02 C ATOM 1060 CD1 TRP A 76 -1.090 -1.503 -1.780 1.00 12.52 C ATOM 1061 CD2 TRP A 76 -1.255 0.395 -0.618 1.00 12.55 C ATOM 1062 NE1 TRP A 76 -2.058 -1.660 -0.812 1.00 2.34 N ATOM 1063 CE2 TRP A 76 -2.196 -0.522 -0.059 1.00 33.03 C ATOM 1064 CE3 TRP A 76 -1.253 1.706 -0.091 1.00 62.30 C ATOM 1065 CZ2 TRP A 76 -3.082 -0.165 0.964 1.00 22.35 C ATOM 1066 CZ3 TRP A 76 -2.125 2.073 0.953 1.00 52.52 C ATOM 1067 CH2 TRP A 76 -3.033 1.136 1.479 1.00 74.20 C ATOM 0 H TRP A 76 -0.517 -0.430 -4.912 1.00 52.24 H new ATOM 0 HA TRP A 76 -0.994 1.791 -3.230 1.00 23.24 H new ATOM 0 HB2 TRP A 76 0.926 -0.525 -3.203 1.00 64.15 H new ATOM 0 HB3 TRP A 76 1.215 0.815 -2.112 1.00 64.15 H new ATOM 0 HD1 TRP A 76 -0.794 -2.265 -2.485 1.00 12.52 H new ATOM 0 HE1 TRP A 76 -2.601 -2.512 -0.673 1.00 2.34 H new ATOM 0 HE3 TRP A 76 -0.571 2.439 -0.495 1.00 62.30 H new ATOM 0 HZ2 TRP A 76 -3.792 -0.882 1.350 1.00 22.35 H new ATOM 0 HZ3 TRP A 76 -2.096 3.077 1.351 1.00 52.52 H new ATOM 0 HH2 TRP A 76 -3.695 1.421 2.283 1.00 74.20 H new ATOM 1077 N GLN A 77 1.668 2.000 -5.192 1.00 44.52 N ATOM 1078 CA GLN A 77 2.751 2.887 -5.531 1.00 61.11 C ATOM 1079 C GLN A 77 2.165 4.218 -5.974 1.00 13.54 C ATOM 1080 O GLN A 77 2.498 5.260 -5.420 1.00 14.22 O ATOM 1081 CB GLN A 77 3.698 2.273 -6.517 1.00 74.34 C ATOM 1082 CG GLN A 77 3.282 1.984 -7.942 1.00 55.22 C ATOM 1083 CD GLN A 77 3.905 2.909 -8.996 1.00 3.33 C ATOM 1084 OE1 GLN A 77 3.361 3.116 -10.076 1.00 44.11 O ATOM 1085 NE2 GLN A 77 5.081 3.462 -8.754 1.00 20.12 N ATOM 0 H GLN A 77 1.561 1.189 -5.802 1.00 44.52 H new ATOM 0 HA GLN A 77 3.372 3.071 -4.654 1.00 61.11 H new ATOM 0 HB2 GLN A 77 4.569 2.927 -6.568 1.00 74.34 H new ATOM 0 HB3 GLN A 77 4.033 1.329 -6.088 1.00 74.34 H new ATOM 0 HG2 GLN A 77 3.547 0.954 -8.181 1.00 55.22 H new ATOM 0 HG3 GLN A 77 2.197 2.058 -8.011 1.00 55.22 H new ATOM 0 HE21 GLN A 77 5.547 3.300 -7.861 1.00 20.12 H new ATOM 0 HE22 GLN A 77 5.523 4.051 -9.460 1.00 20.12 H new ATOM 1092 N ASP A 78 1.218 4.147 -6.904 1.00 54.34 N ATOM 1093 CA ASP A 78 0.549 5.282 -7.518 1.00 12.43 C ATOM 1094 C ASP A 78 -0.268 6.048 -6.487 1.00 60.22 C ATOM 1095 O ASP A 78 -0.290 7.277 -6.493 1.00 14.53 O ATOM 1096 CB ASP A 78 -0.398 4.787 -8.620 1.00 61.11 C ATOM 1097 CG ASP A 78 -0.463 5.883 -9.682 1.00 41.24 C ATOM 1098 OD1 ASP A 78 -1.164 6.898 -9.453 1.00 63.21 O ATOM 1099 OD2 ASP A 78 0.260 5.790 -10.694 1.00 34.02 O ATOM 0 H ASP A 78 0.883 3.254 -7.265 1.00 54.34 H new ATOM 0 HA ASP A 78 1.310 5.941 -7.937 1.00 12.43 H new ATOM 0 HB2 ASP A 78 -0.034 3.854 -9.051 1.00 61.11 H new ATOM 0 HB3 ASP A 78 -1.389 4.585 -8.214 1.00 61.11 H new ATOM 1103 N PHE A 79 -0.896 5.321 -5.558 1.00 0.23 N ATOM 1104 CA PHE A 79 -1.674 5.913 -4.481 1.00 70.44 C ATOM 1105 C PHE A 79 -0.809 6.888 -3.695 1.00 25.41 C ATOM 1106 O PHE A 79 -1.241 8.009 -3.416 1.00 21.32 O ATOM 1107 CB PHE A 79 -2.266 4.829 -3.570 1.00 44.24 C ATOM 1108 CG PHE A 79 -2.980 5.381 -2.350 1.00 14.13 C ATOM 1109 CD1 PHE A 79 -4.319 5.804 -2.448 1.00 54.24 C ATOM 1110 CD2 PHE A 79 -2.296 5.518 -1.124 1.00 70.21 C ATOM 1111 CE1 PHE A 79 -4.972 6.358 -1.333 1.00 10.51 C ATOM 1112 CE2 PHE A 79 -2.942 6.091 -0.013 1.00 32.35 C ATOM 1113 CZ PHE A 79 -4.281 6.512 -0.118 1.00 4.52 C ATOM 0 H PHE A 79 -0.875 4.301 -5.537 1.00 0.23 H new ATOM 0 HA PHE A 79 -2.510 6.464 -4.912 1.00 70.44 H new ATOM 0 HB2 PHE A 79 -2.966 4.224 -4.147 1.00 44.24 H new ATOM 0 HB3 PHE A 79 -1.466 4.165 -3.242 1.00 44.24 H new ATOM 0 HD1 PHE A 79 -4.847 5.702 -3.384 1.00 54.24 H new ATOM 0 HD2 PHE A 79 -1.273 5.182 -1.038 1.00 70.21 H new ATOM 0 HE1 PHE A 79 -6.005 6.665 -1.410 1.00 10.51 H new ATOM 0 HE2 PHE A 79 -2.411 6.208 0.920 1.00 32.35 H new ATOM 0 HZ PHE A 79 -4.777 6.953 0.734 1.00 4.52 H new ATOM 1122 N TYR A 80 0.406 6.461 -3.341 1.00 74.22 N ATOM 1123 CA TYR A 80 1.348 7.300 -2.633 1.00 54.10 C ATOM 1124 C TYR A 80 1.884 8.422 -3.518 1.00 34.25 C ATOM 1125 O TYR A 80 2.094 9.510 -2.998 1.00 2.51 O ATOM 1126 CB TYR A 80 2.481 6.441 -2.054 1.00 22.22 C ATOM 1127 CG TYR A 80 2.061 5.585 -0.872 1.00 14.33 C ATOM 1128 CD1 TYR A 80 1.373 6.153 0.219 1.00 50.14 C ATOM 1129 CD2 TYR A 80 2.320 4.205 -0.882 1.00 61.02 C ATOM 1130 CE1 TYR A 80 0.878 5.343 1.252 1.00 62.33 C ATOM 1131 CE2 TYR A 80 1.817 3.378 0.140 1.00 65.11 C ATOM 1132 CZ TYR A 80 1.077 3.948 1.202 1.00 34.24 C ATOM 1133 OH TYR A 80 0.589 3.179 2.213 1.00 74.12 O ATOM 0 H TYR A 80 0.754 5.523 -3.542 1.00 74.22 H new ATOM 0 HA TYR A 80 0.825 7.783 -1.807 1.00 54.10 H new ATOM 0 HB2 TYR A 80 2.870 5.793 -2.839 1.00 22.22 H new ATOM 0 HB3 TYR A 80 3.298 7.094 -1.745 1.00 22.22 H new ATOM 0 HD1 TYR A 80 1.225 7.222 0.260 1.00 50.14 H new ATOM 0 HD2 TYR A 80 2.909 3.775 -1.679 1.00 61.02 H new ATOM 0 HE1 TYR A 80 0.347 5.786 2.082 1.00 62.33 H new ATOM 0 HE2 TYR A 80 1.995 2.313 0.113 1.00 65.11 H new ATOM 0 HH TYR A 80 -0.220 2.715 1.910 1.00 74.12 H new ATOM 1142 N GLU A 81 2.111 8.207 -4.813 1.00 45.34 N ATOM 1143 CA GLU A 81 2.601 9.239 -5.736 1.00 21.41 C ATOM 1144 C GLU A 81 1.683 10.463 -5.754 1.00 42.34 C ATOM 1145 O GLU A 81 2.180 11.592 -5.790 1.00 72.30 O ATOM 1146 CB GLU A 81 2.764 8.634 -7.142 1.00 1.33 C ATOM 1147 CG GLU A 81 3.998 7.725 -7.206 1.00 12.41 C ATOM 1148 CD GLU A 81 4.257 7.124 -8.594 1.00 0.14 C ATOM 1149 OE1 GLU A 81 3.685 7.565 -9.619 1.00 21.13 O ATOM 1150 OE2 GLU A 81 5.081 6.184 -8.696 1.00 55.50 O ATOM 0 H GLU A 81 1.959 7.302 -5.259 1.00 45.34 H new ATOM 0 HA GLU A 81 3.574 9.587 -5.387 1.00 21.41 H new ATOM 0 HB2 GLU A 81 1.873 8.063 -7.402 1.00 1.33 H new ATOM 0 HB3 GLU A 81 2.857 9.433 -7.878 1.00 1.33 H new ATOM 0 HG2 GLU A 81 4.874 8.296 -6.899 1.00 12.41 H new ATOM 0 HG3 GLU A 81 3.878 6.915 -6.487 1.00 12.41 H new ATOM 1155 N GLN A 82 0.364 10.279 -5.631 1.00 45.12 N ATOM 1156 CA GLN A 82 -0.562 11.407 -5.603 1.00 74.20 C ATOM 1157 C GLN A 82 -0.272 12.357 -4.441 1.00 53.11 C ATOM 1158 O GLN A 82 -0.407 13.571 -4.603 1.00 32.03 O ATOM 1159 CB GLN A 82 -2.026 10.948 -5.532 1.00 2.44 C ATOM 1160 CG GLN A 82 -2.465 9.972 -6.633 1.00 11.23 C ATOM 1161 CD GLN A 82 -2.006 10.425 -8.011 1.00 41.14 C ATOM 1162 OE1 GLN A 82 -2.476 11.437 -8.529 1.00 44.30 O ATOM 1163 NE2 GLN A 82 -1.065 9.728 -8.620 1.00 73.00 N ATOM 0 H GLN A 82 -0.080 9.364 -5.550 1.00 45.12 H new ATOM 0 HA GLN A 82 -0.408 11.943 -6.540 1.00 74.20 H new ATOM 0 HB2 GLN A 82 -2.195 10.476 -4.564 1.00 2.44 H new ATOM 0 HB3 GLN A 82 -2.667 11.828 -5.574 1.00 2.44 H new ATOM 0 HG2 GLN A 82 -2.060 8.982 -6.423 1.00 11.23 H new ATOM 0 HG3 GLN A 82 -3.551 9.880 -6.624 1.00 11.23 H new ATOM 0 HE21 GLN A 82 -0.684 8.891 -8.179 1.00 73.00 H new ATOM 0 HE22 GLN A 82 -0.719 10.027 -9.532 1.00 73.00 H new ATOM 1170 N GLU A 83 0.175 11.830 -3.296 1.00 22.31 N ATOM 1171 CA GLU A 83 0.398 12.592 -2.079 1.00 3.25 C ATOM 1172 C GLU A 83 1.458 13.661 -2.338 1.00 50.53 C ATOM 1173 O GLU A 83 1.417 14.729 -1.727 1.00 21.42 O ATOM 1174 CB GLU A 83 0.849 11.676 -0.929 1.00 22.42 C ATOM 1175 CG GLU A 83 -0.147 10.571 -0.532 1.00 3.52 C ATOM 1176 CD GLU A 83 -1.042 10.990 0.632 1.00 11.12 C ATOM 1177 OE1 GLU A 83 -2.022 11.746 0.421 1.00 65.20 O ATOM 1178 OE2 GLU A 83 -0.770 10.577 1.788 1.00 61.40 O ATOM 0 H GLU A 83 0.394 10.839 -3.195 1.00 22.31 H new ATOM 0 HA GLU A 83 -0.540 13.065 -1.787 1.00 3.25 H new ATOM 0 HB2 GLU A 83 1.792 11.207 -1.210 1.00 22.42 H new ATOM 0 HB3 GLU A 83 1.048 12.293 -0.053 1.00 22.42 H new ATOM 0 HG2 GLU A 83 -0.767 10.318 -1.392 1.00 3.52 H new ATOM 0 HG3 GLU A 83 0.403 9.670 -0.259 1.00 3.52 H new ATOM 1183 N GLN A 84 2.392 13.395 -3.256 1.00 21.15 N ATOM 1184 CA GLN A 84 3.511 14.276 -3.504 1.00 42.30 C ATOM 1185 C GLN A 84 3.117 15.480 -4.361 1.00 34.33 C ATOM 1186 O GLN A 84 3.702 16.555 -4.203 1.00 34.13 O ATOM 1187 CB GLN A 84 4.674 13.491 -4.127 1.00 65.32 C ATOM 1188 CG GLN A 84 5.530 12.833 -3.045 1.00 24.01 C ATOM 1189 CD GLN A 84 4.774 11.736 -2.322 1.00 22.11 C ATOM 1190 OE1 GLN A 84 4.321 11.925 -1.202 1.00 41.21 O ATOM 1191 NE2 GLN A 84 4.622 10.589 -2.948 1.00 64.01 N ATOM 0 H GLN A 84 2.384 12.560 -3.842 1.00 21.15 H new ATOM 0 HA GLN A 84 3.841 14.678 -2.546 1.00 42.30 H new ATOM 0 HB2 GLN A 84 4.284 12.729 -4.801 1.00 65.32 H new ATOM 0 HB3 GLN A 84 5.290 14.161 -4.726 1.00 65.32 H new ATOM 0 HG2 GLN A 84 6.431 12.417 -3.496 1.00 24.01 H new ATOM 0 HG3 GLN A 84 5.852 13.587 -2.327 1.00 24.01 H new ATOM 0 HE21 GLN A 84 5.012 10.462 -3.882 1.00 64.01 H new ATOM 0 HE22 GLN A 84 4.114 9.826 -2.499 1.00 64.01 H new ATOM 1198 N GLN A 85 2.128 15.326 -5.246 1.00 44.22 N ATOM 1199 CA GLN A 85 1.587 16.437 -6.023 1.00 41.32 C ATOM 1200 C GLN A 85 0.870 17.388 -5.080 1.00 44.11 C ATOM 1201 O GLN A 85 1.187 18.575 -5.030 1.00 41.34 O ATOM 1202 CB GLN A 85 0.606 15.953 -7.088 1.00 3.31 C ATOM 1203 CG GLN A 85 1.274 15.081 -8.145 1.00 74.31 C ATOM 1204 CD GLN A 85 0.240 14.575 -9.145 1.00 31.34 C ATOM 1205 OE1 GLN A 85 0.006 15.167 -10.201 1.00 33.33 O ATOM 1206 NE2 GLN A 85 -0.433 13.500 -8.786 1.00 43.31 N ATOM 0 H GLN A 85 1.683 14.429 -5.441 1.00 44.22 H new ATOM 0 HA GLN A 85 2.412 16.939 -6.528 1.00 41.32 H new ATOM 0 HB2 GLN A 85 -0.195 15.389 -6.610 1.00 3.31 H new ATOM 0 HB3 GLN A 85 0.145 16.815 -7.571 1.00 3.31 H new ATOM 0 HG2 GLN A 85 2.043 15.653 -8.665 1.00 74.31 H new ATOM 0 HG3 GLN A 85 1.772 14.237 -7.668 1.00 74.31 H new ATOM 0 HE21 GLN A 85 -0.216 13.033 -7.906 1.00 43.31 H new ATOM 0 HE22 GLN A 85 -1.171 13.136 -9.388 1.00 43.31 H new ATOM 1213 N ARG A 86 -0.060 16.856 -4.287 1.00 23.01 N ATOM 1214 CA ARG A 86 -0.789 17.678 -3.325 1.00 54.30 C ATOM 1215 C ARG A 86 0.111 18.265 -2.243 1.00 10.31 C ATOM 1216 O ARG A 86 -0.232 19.329 -1.723 1.00 61.31 O ATOM 1217 CB ARG A 86 -1.964 16.921 -2.701 1.00 11.33 C ATOM 1218 CG ARG A 86 -1.530 15.648 -1.977 1.00 52.23 C ATOM 1219 CD ARG A 86 -2.670 14.921 -1.248 1.00 13.33 C ATOM 1220 NE ARG A 86 -2.290 14.591 0.139 1.00 42.33 N ATOM 1221 CZ ARG A 86 -2.167 15.487 1.127 1.00 2.23 C ATOM 1222 NH1 ARG A 86 -2.568 16.746 0.957 1.00 24.34 N ATOM 1223 NH2 ARG A 86 -1.653 15.147 2.300 1.00 24.31 N ATOM 0 H ARG A 86 -0.323 15.871 -4.292 1.00 23.01 H new ATOM 0 HA ARG A 86 -1.190 18.516 -3.896 1.00 54.30 H new ATOM 0 HB2 ARG A 86 -2.480 17.575 -1.998 1.00 11.33 H new ATOM 0 HB3 ARG A 86 -2.680 16.664 -3.481 1.00 11.33 H new ATOM 0 HG2 ARG A 86 -1.083 14.966 -2.700 1.00 52.23 H new ATOM 0 HG3 ARG A 86 -0.754 15.900 -1.254 1.00 52.23 H new ATOM 0 HD2 ARG A 86 -3.561 15.548 -1.244 1.00 13.33 H new ATOM 0 HD3 ARG A 86 -2.925 14.008 -1.785 1.00 13.33 H new ATOM 0 HE ARG A 86 -2.108 13.612 0.361 1.00 42.33 H new ATOM 0 HH11 ARG A 86 -2.974 17.036 0.067 1.00 24.34 H new ATOM 0 HH12 ARG A 86 -2.469 17.420 1.717 1.00 24.34 H new ATOM 0 HH21 ARG A 86 -1.343 14.189 2.463 1.00 24.31 H new ATOM 0 HH22 ARG A 86 -1.567 15.843 3.040 1.00 24.31 H new ATOM 1234 N ASN A 87 1.208 17.604 -1.844 1.00 13.51 N ATOM 1235 CA ASN A 87 2.210 18.207 -0.995 1.00 23.35 C ATOM 1236 C ASN A 87 3.573 17.518 -1.102 1.00 72.32 C ATOM 1237 O ASN A 87 3.729 16.359 -0.729 1.00 12.23 O ATOM 1238 CB ASN A 87 1.759 18.299 0.468 1.00 2.25 C ATOM 1239 CG ASN A 87 1.706 17.041 1.325 1.00 10.54 C ATOM 1240 OD1 ASN A 87 2.073 17.106 2.495 1.00 31.23 O ATOM 1241 ND2 ASN A 87 1.166 15.928 0.863 1.00 54.34 N ATOM 0 H ASN A 87 1.412 16.640 -2.107 1.00 13.51 H new ATOM 0 HA ASN A 87 2.332 19.224 -1.368 1.00 23.35 H new ATOM 0 HB2 ASN A 87 2.421 19.005 0.968 1.00 2.25 H new ATOM 0 HB3 ASN A 87 0.761 18.738 0.474 1.00 2.25 H new ATOM 0 HD21 ASN A 87 1.054 15.122 1.478 1.00 54.34 H new ATOM 0 HD22 ASN A 87 0.861 15.874 -0.109 1.00 54.34 H new ATOM 1247 N GLU A 88 4.602 18.243 -1.543 1.00 50.31 N ATOM 1248 CA GLU A 88 5.985 17.766 -1.545 1.00 53.13 C ATOM 1249 C GLU A 88 6.476 17.393 -0.140 1.00 22.02 C ATOM 1250 O GLU A 88 7.447 16.639 -0.008 1.00 50.52 O ATOM 1251 CB GLU A 88 6.938 18.844 -2.091 1.00 25.23 C ATOM 1252 CG GLU A 88 6.814 19.137 -3.590 1.00 12.54 C ATOM 1253 CD GLU A 88 8.120 19.727 -4.127 1.00 43.54 C ATOM 1254 OE1 GLU A 88 8.454 20.877 -3.765 1.00 3.45 O ATOM 1255 OE2 GLU A 88 8.869 19.002 -4.825 1.00 33.01 O ATOM 0 H GLU A 88 4.497 19.188 -1.913 1.00 50.31 H new ATOM 0 HA GLU A 88 5.992 16.880 -2.181 1.00 53.13 H new ATOM 0 HB2 GLU A 88 6.764 19.770 -1.542 1.00 25.23 H new ATOM 0 HB3 GLU A 88 7.963 18.537 -1.882 1.00 25.23 H new ATOM 0 HG2 GLU A 88 6.573 18.220 -4.128 1.00 12.54 H new ATOM 0 HG3 GLU A 88 5.994 19.833 -3.764 1.00 12.54 H new ATOM 1260 N ASN A 89 5.856 17.945 0.907 1.00 53.41 N ATOM 1261 CA ASN A 89 6.214 17.779 2.318 1.00 43.12 C ATOM 1262 C ASN A 89 5.760 16.435 2.900 1.00 25.32 C ATOM 1263 O ASN A 89 5.573 16.330 4.112 1.00 51.30 O ATOM 1264 CB ASN A 89 5.707 18.986 3.132 1.00 33.21 C ATOM 1265 CG ASN A 89 6.676 20.140 2.992 1.00 62.01 C ATOM 1266 OD1 ASN A 89 7.636 20.241 3.750 1.00 1.25 O ATOM 1267 ND2 ASN A 89 6.525 20.951 1.969 1.00 61.00 N ATOM 0 H ASN A 89 5.046 18.553 0.786 1.00 53.41 H new ATOM 0 HA ASN A 89 7.302 17.754 2.387 1.00 43.12 H new ATOM 0 HB2 ASN A 89 4.719 19.284 2.781 1.00 33.21 H new ATOM 0 HB3 ASN A 89 5.603 18.711 4.182 1.00 33.21 H new ATOM 0 HD21 ASN A 89 7.213 21.683 1.792 1.00 61.00 H new ATOM 0 HD22 ASN A 89 5.719 20.849 1.352 1.00 61.00 H new ATOM 1273 N ASN A 90 5.602 15.396 2.078 1.00 43.41 N ATOM 1274 CA ASN A 90 4.993 14.128 2.473 1.00 61.13 C ATOM 1275 C ASN A 90 5.972 12.973 2.283 1.00 70.01 C ATOM 1276 O ASN A 90 5.779 12.096 1.437 1.00 30.02 O ATOM 1277 CB ASN A 90 3.706 13.976 1.662 1.00 72.02 C ATOM 1278 CG ASN A 90 2.706 13.009 2.255 1.00 32.31 C ATOM 1279 OD1 ASN A 90 1.598 13.391 2.621 1.00 24.41 O ATOM 1280 ND2 ASN A 90 3.050 11.742 2.316 1.00 5.11 N ATOM 0 H ASN A 90 5.899 15.414 1.102 1.00 43.41 H new ATOM 0 HA ASN A 90 4.745 14.115 3.534 1.00 61.13 H new ATOM 0 HB2 ASN A 90 3.234 14.954 1.565 1.00 72.02 H new ATOM 0 HB3 ASN A 90 3.962 13.644 0.656 1.00 72.02 H new ATOM 0 HD21 ASN A 90 2.390 11.051 2.674 1.00 5.11 H new ATOM 0 HD22 ASN A 90 3.977 11.450 2.006 1.00 5.11 H new ATOM 1286 N PRO A 91 7.053 12.942 3.075 1.00 30.03 N ATOM 1287 CA PRO A 91 8.155 12.011 2.882 1.00 52.41 C ATOM 1288 C PRO A 91 7.687 10.565 3.049 1.00 31.25 C ATOM 1289 O PRO A 91 8.226 9.675 2.399 1.00 44.24 O ATOM 1290 CB PRO A 91 9.197 12.409 3.935 1.00 62.22 C ATOM 1291 CG PRO A 91 8.337 13.006 5.052 1.00 70.43 C ATOM 1292 CD PRO A 91 7.236 13.713 4.290 1.00 43.10 C ATOM 0 HA PRO A 91 8.571 12.062 1.876 1.00 52.41 H new ATOM 0 HB2 PRO A 91 9.771 11.550 4.281 1.00 62.22 H new ATOM 0 HB3 PRO A 91 9.912 13.133 3.544 1.00 62.22 H new ATOM 0 HG2 PRO A 91 7.940 12.235 5.712 1.00 70.43 H new ATOM 0 HG3 PRO A 91 8.906 13.697 5.674 1.00 70.43 H new ATOM 0 HD2 PRO A 91 6.316 13.751 4.874 1.00 43.10 H new ATOM 0 HD3 PRO A 91 7.513 14.743 4.064 1.00 43.10 H new ATOM 1297 N THR A 92 6.675 10.332 3.887 1.00 13.23 N ATOM 1298 CA THR A 92 6.082 9.039 4.169 1.00 25.04 C ATOM 1299 C THR A 92 5.719 8.353 2.857 1.00 33.42 C ATOM 1300 O THR A 92 6.378 7.383 2.472 1.00 53.11 O ATOM 1301 CB THR A 92 4.889 9.224 5.127 1.00 2.13 C ATOM 1302 OG1 THR A 92 5.197 10.244 6.051 1.00 30.24 O ATOM 1303 CG2 THR A 92 4.617 7.925 5.886 1.00 51.12 C ATOM 0 H THR A 92 6.229 11.085 4.411 1.00 13.23 H new ATOM 0 HA THR A 92 6.788 8.382 4.676 1.00 25.04 H new ATOM 0 HB THR A 92 4.003 9.492 4.551 1.00 2.13 H new ATOM 0 HG1 THR A 92 4.442 10.369 6.663 1.00 30.24 H new ATOM 0 HG21 THR A 92 3.772 8.067 6.560 1.00 51.12 H new ATOM 0 HG22 THR A 92 4.385 7.131 5.176 1.00 51.12 H new ATOM 0 HG23 THR A 92 5.499 7.650 6.464 1.00 51.12 H new ATOM 1311 N ALA A 93 4.727 8.898 2.149 1.00 72.44 N ATOM 1312 CA ALA A 93 4.300 8.404 0.853 1.00 10.34 C ATOM 1313 C ALA A 93 5.446 8.451 -0.157 1.00 63.32 C ATOM 1314 O ALA A 93 5.656 7.470 -0.860 1.00 61.30 O ATOM 1315 CB ALA A 93 3.106 9.224 0.382 1.00 51.34 C ATOM 0 H ALA A 93 4.195 9.706 2.471 1.00 72.44 H new ATOM 0 HA ALA A 93 4.001 7.359 0.941 1.00 10.34 H new ATOM 0 HB1 ALA A 93 2.777 8.861 -0.592 1.00 51.34 H new ATOM 0 HB2 ALA A 93 2.292 9.127 1.100 1.00 51.34 H new ATOM 0 HB3 ALA A 93 3.394 10.272 0.300 1.00 51.34 H new ATOM 1321 N LYS A 94 6.229 9.533 -0.199 1.00 21.01 N ATOM 1322 CA LYS A 94 7.325 9.706 -1.155 1.00 41.50 C ATOM 1323 C LYS A 94 8.278 8.510 -1.169 1.00 10.14 C ATOM 1324 O LYS A 94 8.578 7.965 -2.231 1.00 61.32 O ATOM 1325 CB LYS A 94 8.011 11.048 -0.854 1.00 22.23 C ATOM 1326 CG LYS A 94 8.964 11.520 -1.959 1.00 11.53 C ATOM 1327 CD LYS A 94 9.004 13.053 -2.083 1.00 71.21 C ATOM 1328 CE LYS A 94 9.539 13.782 -0.847 1.00 12.15 C ATOM 1329 NZ LYS A 94 10.915 14.253 -1.074 1.00 50.40 N ATOM 0 H LYS A 94 6.118 10.322 0.438 1.00 21.01 H new ATOM 0 HA LYS A 94 6.936 9.739 -2.173 1.00 41.50 H new ATOM 0 HB2 LYS A 94 7.246 11.809 -0.698 1.00 22.23 H new ATOM 0 HB3 LYS A 94 8.568 10.959 0.079 1.00 22.23 H new ATOM 0 HG2 LYS A 94 9.968 11.149 -1.753 1.00 11.53 H new ATOM 0 HG3 LYS A 94 8.654 11.089 -2.911 1.00 11.53 H new ATOM 0 HD2 LYS A 94 9.622 13.318 -2.940 1.00 71.21 H new ATOM 0 HD3 LYS A 94 7.997 13.413 -2.293 1.00 71.21 H new ATOM 0 HE2 LYS A 94 8.894 14.628 -0.611 1.00 12.15 H new ATOM 0 HE3 LYS A 94 9.516 13.114 0.014 1.00 12.15 H new ATOM 0 HZ1 LYS A 94 11.258 14.744 -0.224 1.00 50.40 H new ATOM 0 HZ2 LYS A 94 11.531 13.440 -1.277 1.00 50.40 H new ATOM 0 HZ3 LYS A 94 10.929 14.908 -1.882 1.00 50.40 H new ATOM 1339 N TYR A 95 8.739 8.065 0.002 1.00 54.55 N ATOM 1340 CA TYR A 95 9.579 6.879 0.090 1.00 10.42 C ATOM 1341 C TYR A 95 8.786 5.607 -0.217 1.00 65.01 C ATOM 1342 O TYR A 95 9.343 4.726 -0.871 1.00 10.44 O ATOM 1343 CB TYR A 95 10.250 6.803 1.469 1.00 64.31 C ATOM 1344 CG TYR A 95 11.314 7.862 1.708 1.00 34.00 C ATOM 1345 CD1 TYR A 95 12.510 7.848 0.963 1.00 70.45 C ATOM 1346 CD2 TYR A 95 11.143 8.829 2.716 1.00 1.10 C ATOM 1347 CE1 TYR A 95 13.496 8.829 1.168 1.00 2.14 C ATOM 1348 CE2 TYR A 95 12.122 9.809 2.938 1.00 50.53 C ATOM 1349 CZ TYR A 95 13.294 9.822 2.151 1.00 54.33 C ATOM 1350 OH TYR A 95 14.221 10.793 2.339 1.00 50.43 O ATOM 0 H TYR A 95 8.543 8.510 0.898 1.00 54.55 H new ATOM 0 HA TYR A 95 10.360 6.958 -0.666 1.00 10.42 H new ATOM 0 HB2 TYR A 95 9.483 6.895 2.238 1.00 64.31 H new ATOM 0 HB3 TYR A 95 10.702 5.818 1.586 1.00 64.31 H new ATOM 0 HD1 TYR A 95 12.671 7.075 0.226 1.00 70.45 H new ATOM 0 HD2 TYR A 95 10.250 8.817 3.324 1.00 1.10 H new ATOM 0 HE1 TYR A 95 14.401 8.823 0.578 1.00 2.14 H new ATOM 0 HE2 TYR A 95 11.979 10.552 3.709 1.00 50.53 H new ATOM 0 HH TYR A 95 13.924 11.395 3.053 1.00 50.43 H new ATOM 1359 N ARG A 96 7.525 5.458 0.220 1.00 42.25 N ATOM 1360 CA ARG A 96 6.726 4.283 -0.139 1.00 5.40 C ATOM 1361 C ARG A 96 6.557 4.157 -1.645 1.00 64.24 C ATOM 1362 O ARG A 96 6.810 3.070 -2.135 1.00 1.30 O ATOM 1363 CB ARG A 96 5.341 4.290 0.510 1.00 10.53 C ATOM 1364 CG ARG A 96 5.395 4.196 2.024 1.00 33.31 C ATOM 1365 CD ARG A 96 4.008 4.194 2.658 1.00 70.22 C ATOM 1366 NE ARG A 96 4.115 4.238 4.119 1.00 50.35 N ATOM 1367 CZ ARG A 96 3.106 4.421 4.971 1.00 63.20 C ATOM 1368 NH1 ARG A 96 1.853 4.476 4.540 1.00 5.55 N ATOM 1369 NH2 ARG A 96 3.376 4.556 6.261 1.00 72.33 N ATOM 0 H ARG A 96 7.044 6.131 0.816 1.00 42.25 H new ATOM 0 HA ARG A 96 7.284 3.427 0.241 1.00 5.40 H new ATOM 0 HB2 ARG A 96 4.818 5.203 0.227 1.00 10.53 H new ATOM 0 HB3 ARG A 96 4.759 3.455 0.120 1.00 10.53 H new ATOM 0 HG2 ARG A 96 5.923 3.286 2.310 1.00 33.31 H new ATOM 0 HG3 ARG A 96 5.969 5.035 2.417 1.00 33.31 H new ATOM 0 HD2 ARG A 96 3.437 5.052 2.303 1.00 70.22 H new ATOM 0 HD3 ARG A 96 3.463 3.300 2.353 1.00 70.22 H new ATOM 0 HE ARG A 96 5.045 4.118 4.520 1.00 50.35 H new ATOM 0 HH11 ARG A 96 1.651 4.378 3.545 1.00 5.55 H new ATOM 0 HH12 ARG A 96 1.091 4.616 5.204 1.00 5.55 H new ATOM 0 HH21 ARG A 96 4.342 4.519 6.586 1.00 72.33 H new ATOM 0 HH22 ARG A 96 2.618 4.697 6.929 1.00 72.33 H new ATOM 1380 N ALA A 97 6.151 5.199 -2.372 1.00 42.54 N ATOM 1381 CA ALA A 97 5.887 5.174 -3.808 1.00 3.20 C ATOM 1382 C ALA A 97 7.082 4.544 -4.510 1.00 44.31 C ATOM 1383 O ALA A 97 6.979 3.519 -5.182 1.00 71.43 O ATOM 1384 CB ALA A 97 5.668 6.611 -4.296 1.00 30.33 C ATOM 0 H ALA A 97 5.991 6.118 -1.959 1.00 42.54 H new ATOM 0 HA ALA A 97 4.995 4.588 -4.029 1.00 3.20 H new ATOM 0 HB1 ALA A 97 5.470 6.605 -5.368 1.00 30.33 H new ATOM 0 HB2 ALA A 97 4.818 7.048 -3.772 1.00 30.33 H new ATOM 0 HB3 ALA A 97 6.561 7.203 -4.095 1.00 30.33 H new ATOM 1390 N ARG A 98 8.246 5.129 -4.243 1.00 10.40 N ATOM 1391 CA ARG A 98 9.536 4.674 -4.713 1.00 71.23 C ATOM 1392 C ARG A 98 9.832 3.231 -4.315 1.00 63.23 C ATOM 1393 O ARG A 98 10.233 2.427 -5.154 1.00 23.00 O ATOM 1394 CB ARG A 98 10.579 5.693 -4.228 1.00 33.34 C ATOM 1395 CG ARG A 98 10.728 6.769 -5.307 1.00 53.14 C ATOM 1396 CD ARG A 98 11.394 8.038 -4.790 1.00 63.22 C ATOM 1397 NE ARG A 98 11.711 8.928 -5.914 1.00 1.54 N ATOM 1398 CZ ARG A 98 12.479 10.018 -5.856 1.00 64.21 C ATOM 1399 NH1 ARG A 98 12.934 10.461 -4.687 1.00 71.34 N ATOM 1400 NH2 ARG A 98 12.811 10.649 -6.970 1.00 44.11 N ATOM 0 H ARG A 98 8.311 5.969 -3.668 1.00 10.40 H new ATOM 0 HA ARG A 98 9.559 4.635 -5.802 1.00 71.23 H new ATOM 0 HB2 ARG A 98 10.265 6.140 -3.285 1.00 33.34 H new ATOM 0 HB3 ARG A 98 11.535 5.202 -4.045 1.00 33.34 H new ATOM 0 HG2 ARG A 98 11.314 6.368 -6.134 1.00 53.14 H new ATOM 0 HG3 ARG A 98 9.744 7.017 -5.704 1.00 53.14 H new ATOM 0 HD2 ARG A 98 10.733 8.546 -4.088 1.00 63.22 H new ATOM 0 HD3 ARG A 98 12.304 7.786 -4.246 1.00 63.22 H new ATOM 0 HE ARG A 98 11.308 8.692 -6.821 1.00 1.54 H new ATOM 0 HH11 ARG A 98 12.696 9.967 -3.827 1.00 71.34 H new ATOM 0 HH12 ARG A 98 13.520 11.295 -4.651 1.00 71.34 H new ATOM 0 HH21 ARG A 98 12.480 10.302 -7.870 1.00 44.11 H new ATOM 0 HH22 ARG A 98 13.398 11.482 -6.929 1.00 44.11 H new ATOM 1411 N LEU A 99 9.619 2.872 -3.049 1.00 73.11 N ATOM 1412 CA LEU A 99 9.827 1.515 -2.550 1.00 22.41 C ATOM 1413 C LEU A 99 8.981 0.517 -3.344 1.00 44.22 C ATOM 1414 O LEU A 99 9.513 -0.430 -3.912 1.00 45.12 O ATOM 1415 CB LEU A 99 9.526 1.477 -1.039 1.00 34.33 C ATOM 1416 CG LEU A 99 9.625 0.091 -0.378 1.00 25.44 C ATOM 1417 CD1 LEU A 99 10.919 -0.642 -0.718 1.00 74.25 C ATOM 1418 CD2 LEU A 99 9.550 0.271 1.142 1.00 24.11 C ATOM 0 H LEU A 99 9.294 3.523 -2.334 1.00 73.11 H new ATOM 0 HA LEU A 99 10.867 1.220 -2.690 1.00 22.41 H new ATOM 0 HB2 LEU A 99 10.215 2.152 -0.532 1.00 34.33 H new ATOM 0 HB3 LEU A 99 8.521 1.867 -0.877 1.00 34.33 H new ATOM 0 HG LEU A 99 8.801 -0.512 -0.759 1.00 25.44 H new ATOM 0 HD11 LEU A 99 10.929 -1.613 -0.222 1.00 74.25 H new ATOM 0 HD12 LEU A 99 10.983 -0.785 -1.797 1.00 74.25 H new ATOM 0 HD13 LEU A 99 11.771 -0.053 -0.379 1.00 74.25 H new ATOM 0 HD21 LEU A 99 9.619 -0.702 1.627 1.00 24.11 H new ATOM 0 HD22 LEU A 99 10.375 0.901 1.475 1.00 24.11 H new ATOM 0 HD23 LEU A 99 8.603 0.742 1.406 1.00 24.11 H new ATOM 1429 N MET A 100 7.674 0.749 -3.402 1.00 31.00 N ATOM 1430 CA MET A 100 6.707 -0.063 -4.130 1.00 74.32 C ATOM 1431 C MET A 100 7.085 -0.180 -5.615 1.00 61.45 C ATOM 1432 O MET A 100 6.990 -1.271 -6.175 1.00 74.43 O ATOM 1433 CB MET A 100 5.290 0.516 -3.990 1.00 23.41 C ATOM 1434 CG MET A 100 4.737 0.768 -2.579 1.00 41.52 C ATOM 1435 SD MET A 100 5.369 -0.256 -1.223 1.00 74.21 S ATOM 1436 CE MET A 100 4.055 -1.493 -1.204 1.00 44.31 C ATOM 0 H MET A 100 7.243 1.540 -2.924 1.00 31.00 H new ATOM 0 HA MET A 100 6.721 -1.061 -3.693 1.00 74.32 H new ATOM 0 HB2 MET A 100 5.264 1.462 -4.530 1.00 23.41 H new ATOM 0 HB3 MET A 100 4.604 -0.161 -4.499 1.00 23.41 H new ATOM 0 HG2 MET A 100 4.928 1.811 -2.327 1.00 41.52 H new ATOM 0 HG3 MET A 100 3.655 0.642 -2.617 1.00 41.52 H new ATOM 0 HE1 MET A 100 4.259 -2.228 -0.425 1.00 44.31 H new ATOM 0 HE2 MET A 100 3.100 -1.007 -1.003 1.00 44.31 H new ATOM 0 HE3 MET A 100 4.011 -1.992 -2.172 1.00 44.31 H new ATOM 1444 N LYS A 101 7.562 0.903 -6.246 1.00 53.35 N ATOM 1445 CA LYS A 101 8.072 0.848 -7.618 1.00 15.20 C ATOM 1446 C LYS A 101 9.235 -0.139 -7.716 1.00 64.24 C ATOM 1447 O LYS A 101 9.230 -1.027 -8.562 1.00 54.23 O ATOM 1448 CB LYS A 101 8.484 2.255 -8.097 1.00 23.11 C ATOM 1449 CG LYS A 101 8.817 2.273 -9.597 1.00 12.40 C ATOM 1450 CD LYS A 101 7.555 2.264 -10.470 1.00 20.10 C ATOM 1451 CE LYS A 101 7.814 1.627 -11.836 1.00 3.34 C ATOM 1452 NZ LYS A 101 6.599 1.631 -12.670 1.00 34.11 N ATOM 0 H LYS A 101 7.604 1.830 -5.823 1.00 53.35 H new ATOM 0 HA LYS A 101 7.278 0.493 -8.275 1.00 15.20 H new ATOM 0 HB2 LYS A 101 7.676 2.958 -7.896 1.00 23.11 H new ATOM 0 HB3 LYS A 101 9.350 2.593 -7.528 1.00 23.11 H new ATOM 0 HG2 LYS A 101 9.409 3.159 -9.826 1.00 12.40 H new ATOM 0 HG3 LYS A 101 9.432 1.407 -9.841 1.00 12.40 H new ATOM 0 HD2 LYS A 101 6.763 1.717 -9.958 1.00 20.10 H new ATOM 0 HD3 LYS A 101 7.200 3.286 -10.607 1.00 20.10 H new ATOM 0 HE2 LYS A 101 8.610 2.169 -12.347 1.00 3.34 H new ATOM 0 HE3 LYS A 101 8.162 0.603 -11.702 1.00 3.34 H new ATOM 0 HZ1 LYS A 101 6.808 1.192 -13.590 1.00 34.11 H new ATOM 0 HZ2 LYS A 101 5.848 1.093 -12.192 1.00 34.11 H new ATOM 0 HZ3 LYS A 101 6.282 2.611 -12.818 1.00 34.11 H new ATOM 1462 N LYS A 102 10.233 -0.015 -6.838 1.00 64.22 N ATOM 1463 CA LYS A 102 11.384 -0.922 -6.815 1.00 44.24 C ATOM 1464 C LYS A 102 10.949 -2.368 -6.560 1.00 43.32 C ATOM 1465 O LYS A 102 11.580 -3.293 -7.066 1.00 3.10 O ATOM 1466 CB LYS A 102 12.383 -0.442 -5.750 1.00 75.02 C ATOM 1467 CG LYS A 102 13.792 -0.358 -6.342 1.00 3.53 C ATOM 1468 CD LYS A 102 14.751 0.291 -5.340 1.00 71.31 C ATOM 1469 CE LYS A 102 16.207 0.145 -5.786 1.00 12.23 C ATOM 1470 NZ LYS A 102 16.579 1.078 -6.870 1.00 20.42 N ATOM 0 H LYS A 102 10.267 0.714 -6.125 1.00 64.22 H new ATOM 0 HA LYS A 102 11.869 -0.907 -7.791 1.00 44.24 H new ATOM 0 HB2 LYS A 102 12.081 0.535 -5.373 1.00 75.02 H new ATOM 0 HB3 LYS A 102 12.378 -1.127 -4.902 1.00 75.02 H new ATOM 0 HG2 LYS A 102 14.146 -1.356 -6.600 1.00 3.53 H new ATOM 0 HG3 LYS A 102 13.772 0.222 -7.265 1.00 3.53 H new ATOM 0 HD2 LYS A 102 14.506 1.348 -5.232 1.00 71.31 H new ATOM 0 HD3 LYS A 102 14.621 -0.168 -4.360 1.00 71.31 H new ATOM 0 HE2 LYS A 102 16.861 0.313 -4.930 1.00 12.23 H new ATOM 0 HE3 LYS A 102 16.377 -0.878 -6.121 1.00 12.23 H new ATOM 0 HZ1 LYS A 102 17.576 0.931 -7.128 1.00 20.42 H new ATOM 0 HZ2 LYS A 102 15.977 0.904 -7.700 1.00 20.42 H new ATOM 0 HZ3 LYS A 102 16.446 2.057 -6.546 1.00 20.42 H new ATOM 1480 N ILE A 103 9.882 -2.569 -5.788 1.00 13.40 N ATOM 1481 CA ILE A 103 9.293 -3.875 -5.534 1.00 13.43 C ATOM 1482 C ILE A 103 8.760 -4.460 -6.844 1.00 54.45 C ATOM 1483 O ILE A 103 9.094 -5.596 -7.177 1.00 14.34 O ATOM 1484 CB ILE A 103 8.271 -3.761 -4.377 1.00 4.22 C ATOM 1485 CG1 ILE A 103 9.057 -3.619 -3.051 1.00 52.22 C ATOM 1486 CG2 ILE A 103 7.298 -4.944 -4.302 1.00 55.43 C ATOM 1487 CD1 ILE A 103 8.208 -3.174 -1.865 1.00 23.41 C ATOM 0 H ILE A 103 9.395 -1.809 -5.313 1.00 13.40 H new ATOM 0 HA ILE A 103 10.033 -4.597 -5.187 1.00 13.43 H new ATOM 0 HB ILE A 103 7.650 -2.884 -4.561 1.00 4.22 H new ATOM 0 HG12 ILE A 103 9.521 -4.576 -2.812 1.00 52.22 H new ATOM 0 HG13 ILE A 103 9.864 -2.901 -3.195 1.00 52.22 H new ATOM 0 HG21 ILE A 103 6.611 -4.798 -3.469 1.00 55.43 H new ATOM 0 HG22 ILE A 103 6.732 -5.009 -5.231 1.00 55.43 H new ATOM 0 HG23 ILE A 103 7.858 -5.867 -4.152 1.00 55.43 H new ATOM 0 HD11 ILE A 103 8.835 -3.099 -0.976 1.00 23.41 H new ATOM 0 HD12 ILE A 103 7.765 -2.201 -2.079 1.00 23.41 H new ATOM 0 HD13 ILE A 103 7.416 -3.903 -1.690 1.00 23.41 H new ATOM 1498 N ALA A 104 7.975 -3.695 -7.604 1.00 62.22 N ATOM 1499 CA ALA A 104 7.460 -4.130 -8.898 1.00 63.11 C ATOM 1500 C ALA A 104 8.580 -4.406 -9.912 1.00 32.41 C ATOM 1501 O ALA A 104 8.400 -5.193 -10.839 1.00 43.13 O ATOM 1502 CB ALA A 104 6.534 -3.036 -9.428 1.00 35.00 C ATOM 0 H ALA A 104 7.680 -2.756 -7.337 1.00 62.22 H new ATOM 0 HA ALA A 104 6.924 -5.069 -8.763 1.00 63.11 H new ATOM 0 HB1 ALA A 104 6.134 -3.336 -10.397 1.00 35.00 H new ATOM 0 HB2 ALA A 104 5.713 -2.884 -8.728 1.00 35.00 H new ATOM 0 HB3 ALA A 104 7.094 -2.107 -9.538 1.00 35.00 H new ATOM 1508 N ASP A 105 9.745 -3.779 -9.752 1.00 32.40 N ATOM 1509 CA ASP A 105 10.850 -3.905 -10.699 1.00 75.05 C ATOM 1510 C ASP A 105 11.449 -5.308 -10.615 1.00 63.32 C ATOM 1511 O ASP A 105 11.694 -5.955 -11.637 1.00 14.34 O ATOM 1512 CB ASP A 105 11.910 -2.829 -10.439 1.00 75.35 C ATOM 1513 CG ASP A 105 13.000 -2.855 -11.508 1.00 0.40 C ATOM 1514 OD1 ASP A 105 12.651 -2.766 -12.709 1.00 53.42 O ATOM 1515 OD2 ASP A 105 14.196 -2.889 -11.136 1.00 55.55 O ATOM 0 H ASP A 105 9.948 -3.169 -8.960 1.00 32.40 H new ATOM 0 HA ASP A 105 10.471 -3.754 -11.710 1.00 75.05 H new ATOM 0 HB2 ASP A 105 11.438 -1.847 -10.422 1.00 75.35 H new ATOM 0 HB3 ASP A 105 12.357 -2.985 -9.457 1.00 75.35 H new ATOM 1519 N LEU A 106 11.606 -5.815 -9.390 1.00 33.44 N ATOM 1520 CA LEU A 106 12.194 -7.117 -9.066 1.00 14.44 C ATOM 1521 C LEU A 106 11.112 -8.196 -8.928 1.00 55.52 C ATOM 1522 O LEU A 106 11.346 -9.220 -8.281 1.00 0.41 O ATOM 1523 CB LEU A 106 13.024 -6.999 -7.773 1.00 64.42 C ATOM 1524 CG LEU A 106 14.107 -5.902 -7.765 1.00 42.13 C ATOM 1525 CD1 LEU A 106 14.416 -5.469 -6.329 1.00 31.14 C ATOM 1526 CD2 LEU A 106 15.392 -6.389 -8.436 1.00 51.42 C ATOM 0 H LEU A 106 11.313 -5.304 -8.557 1.00 33.44 H new ATOM 0 HA LEU A 106 12.849 -7.419 -9.883 1.00 14.44 H new ATOM 0 HB2 LEU A 106 12.342 -6.815 -6.942 1.00 64.42 H new ATOM 0 HB3 LEU A 106 13.505 -7.959 -7.584 1.00 64.42 H new ATOM 0 HG LEU A 106 13.721 -5.052 -8.327 1.00 42.13 H new ATOM 0 HD11 LEU A 106 15.182 -4.694 -6.340 1.00 31.14 H new ATOM 0 HD12 LEU A 106 13.511 -5.078 -5.864 1.00 31.14 H new ATOM 0 HD13 LEU A 106 14.775 -6.326 -5.760 1.00 31.14 H new ATOM 0 HD21 LEU A 106 16.137 -5.594 -8.415 1.00 51.42 H new ATOM 0 HD22 LEU A 106 15.774 -7.259 -7.902 1.00 51.42 H new ATOM 0 HD23 LEU A 106 15.182 -6.662 -9.470 1.00 51.42 H new ATOM 1537 N TRP A 107 9.919 -7.968 -9.491 1.00 73.42 N ATOM 1538 CA TRP A 107 8.855 -8.958 -9.448 1.00 24.40 C ATOM 1539 C TRP A 107 9.233 -10.195 -10.250 1.00 20.13 C ATOM 1540 O TRP A 107 8.777 -11.302 -9.897 1.00 1.22 O ATOM 1541 CB TRP A 107 7.520 -8.352 -9.894 1.00 24.02 C ATOM 1542 CG TRP A 107 6.332 -9.033 -9.293 1.00 31.33 C ATOM 1543 CD1 TRP A 107 5.538 -9.947 -9.894 1.00 74.42 C ATOM 1544 CD2 TRP A 107 5.792 -8.860 -7.949 1.00 64.23 C ATOM 1545 NE1 TRP A 107 4.573 -10.387 -9.008 1.00 62.31 N ATOM 1546 CE2 TRP A 107 4.679 -9.737 -7.800 1.00 14.13 C ATOM 1547 CE3 TRP A 107 6.125 -8.038 -6.849 1.00 40.21 C ATOM 1548 CZ2 TRP A 107 3.930 -9.797 -6.619 1.00 24.34 C ATOM 1549 CZ3 TRP A 107 5.384 -8.104 -5.651 1.00 15.41 C ATOM 1550 CH2 TRP A 107 4.278 -8.970 -5.540 1.00 4.24 C ATOM 0 H TRP A 107 9.674 -7.106 -9.979 1.00 73.42 H new ATOM 0 HA TRP A 107 8.722 -9.279 -8.415 1.00 24.40 H new ATOM 0 HB2 TRP A 107 7.500 -7.296 -9.624 1.00 24.02 H new ATOM 0 HB3 TRP A 107 7.450 -8.405 -10.980 1.00 24.02 H new ATOM 0 HD1 TRP A 107 5.642 -10.283 -10.915 1.00 74.42 H new ATOM 0 HE1 TRP A 107 3.875 -11.099 -9.221 1.00 62.31 H new ATOM 0 HE3 TRP A 107 6.956 -7.352 -6.927 1.00 40.21 H new ATOM 0 HZ2 TRP A 107 3.092 -10.474 -6.539 1.00 24.34 H new ATOM 0 HZ3 TRP A 107 5.667 -7.486 -4.812 1.00 15.41 H new ATOM 0 HH2 TRP A 107 3.700 -8.997 -4.628 1.00 4.24 H new TER 1560 TRP A 107