USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 853 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 13 LYS NZ :NH3+ -156:sc= 2.3 (180deg=-0.454!) USER MOD Set 1.2: A 103 THR OG1 : rot -39:sc= 1.75 USER MOD Set 2.1: A 30 THR OG1 : rot 92:sc= 1.19 USER MOD Set 2.2: A 91 SER OG : rot -31:sc= 0.896 USER MOD Set 3.1: A 47 ASN : amide:sc= 1.45 K(o=5.4,f=-2.2) USER MOD Set 3.2: A 71 GLN : amide:sc= 1.43 K(o=5.4,f=1.3!) USER MOD Set 3.3: A 74 ASN : amide:sc= 2.57 K(o=5.4,f=-2.2) USER MOD Set 4.1: A 39 SER OG : rot 87:sc= 2.35 USER MOD Set 4.2: A 63 SER OG : rot 135:sc= 1.23 USER MOD Set 4.3: A 65 THR OG1 : rot 92:sc= 2.31 USER MOD Set 5.1: A 32 LYS NZ :NH3+ 148:sc= 1.26 (180deg=-0.0441) USER MOD Set 5.2: A 36 GLN : amide:sc= 1.13 K(o=2.4,f=-6.6!) USER MOD Set 6.1: A 28 LYS NZ :NH3+ 137:sc= 1.05 (180deg=0) USER MOD Set 6.2: A 29 SER OG : rot 138:sc= 2.08 USER MOD Set 7.1: A 24 THR OG1 : rot 164:sc= 0.954 USER MOD Set 7.2: A 33 SER OG : rot 67:sc= 1.8 USER MOD Set 8.1: A 6 SER OG : rot -36:sc= 1.21 USER MOD Set 8.2: A 9 SER OG : rot -88:sc= 1.98 USER MOD Set 9.1: A 5 LYS NZ :NH3+ -163:sc= 3.59 (180deg=1.81) USER MOD Set 9.2: A 7 GLN : amide:sc= 0.993 K(o=4.6,f=-8.1!) USER MOD Single : A 11 ASN : amide:sc= 0.118 K(o=0.12,f=-8.7!) USER MOD Single : A 12 GLN : amide:sc= -0.909 K(o=-0.91,f=-2.1) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 1.36 (180deg=1.26) USER MOD Single : A 20 SER OG : rot -96:sc= 1 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= 2.42 (180deg=0.968) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -160:sc= 1.75 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.282 (180deg=0.0965) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 2.49 (180deg=2.47) USER MOD Single : A 48 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 1.12 (180deg=-0.755!) USER MOD Single : A 54 SER OG : rot 88:sc= 1.04 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 138:sc= 1.89 USER MOD Single : A 61 MET CE :methyl 165:sc=-0.00237 (180deg=-0.244) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 2.32 (180deg=2.07) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1.35 (180deg=0.65) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 176:sc= 1.04 USER MOD Single : A 75 ASN : amide:sc= 0.498 K(o=0.5,f=-7!) USER MOD Single : A 79 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 2.37 (180deg=2.17) USER MOD Single : A 98 SER OG : rot 150:sc= -0.852 USER MOD Single : A 102 THR OG1 : rot -23:sc= 0.765 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 14.852 9.436 -23.958 1.00 0.00 N ATOM 2 CA ALA A 2 15.413 8.826 -25.181 1.00 0.00 C ATOM 3 C ALA A 2 15.546 7.316 -24.964 1.00 0.00 C ATOM 4 O ALA A 2 15.946 6.971 -23.856 1.00 0.00 O ATOM 5 CB ALA A 2 16.768 9.451 -25.533 1.00 0.00 C ATOM 0 HA ALA A 2 14.743 9.014 -26.020 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.160 8.985 -26.437 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.643 10.521 -25.701 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.466 9.293 -24.711 1.00 0.00 H new ATOM 13 N PRO A 3 15.234 6.445 -25.951 1.00 0.00 N ATOM 14 CA PRO A 3 14.935 4.995 -25.846 1.00 0.00 C ATOM 15 C PRO A 3 15.745 3.995 -24.992 1.00 0.00 C ATOM 16 O PRO A 3 15.459 2.802 -25.040 1.00 0.00 O ATOM 17 CB PRO A 3 14.812 4.501 -27.289 1.00 0.00 C ATOM 18 CG PRO A 3 14.208 5.704 -27.997 1.00 0.00 C ATOM 19 CD PRO A 3 14.882 6.884 -27.303 1.00 0.00 C ATOM 0 HA PRO A 3 14.048 4.986 -25.213 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.780 4.227 -27.708 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.172 3.622 -27.364 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.419 5.691 -29.066 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.124 5.736 -27.886 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.771 7.196 -27.850 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.212 7.743 -27.267 1.00 0.00 H new ATOM 27 N VAL A 4 16.691 4.442 -24.169 1.00 0.00 N ATOM 28 CA VAL A 4 17.099 3.746 -22.937 1.00 0.00 C ATOM 29 C VAL A 4 16.134 4.179 -21.821 1.00 0.00 C ATOM 30 O VAL A 4 15.221 3.437 -21.466 1.00 0.00 O ATOM 31 CB VAL A 4 18.580 4.021 -22.594 1.00 0.00 C ATOM 32 CG1 VAL A 4 18.994 3.303 -21.301 1.00 0.00 C ATOM 33 CG2 VAL A 4 19.508 3.543 -23.720 1.00 0.00 C ATOM 0 H VAL A 4 17.205 5.307 -24.335 1.00 0.00 H new ATOM 0 HA VAL A 4 17.036 2.665 -23.066 1.00 0.00 H new ATOM 0 HB VAL A 4 18.675 5.099 -22.466 1.00 0.00 H new ATOM 0 HG11 VAL A 4 20.041 3.516 -21.086 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.375 3.655 -20.475 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.860 2.228 -21.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 20.544 3.750 -23.450 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.379 2.471 -23.868 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.261 4.069 -24.643 1.00 0.00 H new ATOM 43 N LYS A 5 16.249 5.427 -21.339 1.00 0.00 N ATOM 44 CA LYS A 5 15.197 6.124 -20.586 1.00 0.00 C ATOM 45 C LYS A 5 14.082 6.536 -21.568 1.00 0.00 C ATOM 46 O LYS A 5 13.929 7.720 -21.876 1.00 0.00 O ATOM 47 CB LYS A 5 15.816 7.322 -19.828 1.00 0.00 C ATOM 48 CG LYS A 5 14.900 7.907 -18.732 1.00 0.00 C ATOM 49 CD LYS A 5 15.431 9.270 -18.245 1.00 0.00 C ATOM 50 CE LYS A 5 14.843 9.760 -16.909 1.00 0.00 C ATOM 51 NZ LYS A 5 13.369 9.884 -16.934 1.00 0.00 N ATOM 0 H LYS A 5 17.091 5.989 -21.465 1.00 0.00 H new ATOM 0 HA LYS A 5 14.748 5.476 -19.833 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.755 7.006 -19.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.057 8.108 -20.544 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.889 8.024 -19.121 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.841 7.214 -17.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.515 9.206 -18.146 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.225 10.018 -19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.130 9.068 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.279 10.728 -16.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.057 10.475 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.073 10.324 -17.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.940 8.940 -16.853 1.00 0.00 H new ATOM 65 N SER A 6 13.339 5.546 -22.088 1.00 0.00 N ATOM 66 CA SER A 6 12.293 5.626 -23.137 1.00 0.00 C ATOM 67 C SER A 6 11.020 6.384 -22.706 1.00 0.00 C ATOM 68 O SER A 6 9.897 5.998 -23.029 1.00 0.00 O ATOM 69 CB SER A 6 11.960 4.200 -23.615 1.00 0.00 C ATOM 70 OG SER A 6 11.622 4.170 -24.987 1.00 0.00 O ATOM 0 H SER A 6 13.459 4.587 -21.763 1.00 0.00 H new ATOM 0 HA SER A 6 12.700 6.218 -23.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.816 3.548 -23.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.131 3.805 -23.028 1.00 0.00 H new ATOM 0 HG SER A 6 11.126 4.983 -25.220 1.00 0.00 H new ATOM 76 N GLN A 7 11.209 7.450 -21.930 1.00 0.00 N ATOM 77 CA GLN A 7 10.231 8.299 -21.271 1.00 0.00 C ATOM 78 C GLN A 7 9.214 8.868 -22.257 1.00 0.00 C ATOM 79 O GLN A 7 8.017 8.655 -22.095 1.00 0.00 O ATOM 80 CB GLN A 7 11.028 9.404 -20.556 1.00 0.00 C ATOM 81 CG GLN A 7 10.195 10.497 -19.873 1.00 0.00 C ATOM 82 CD GLN A 7 11.091 11.619 -19.356 1.00 0.00 C ATOM 83 OE1 GLN A 7 12.188 11.391 -18.861 1.00 0.00 O ATOM 84 NE2 GLN A 7 10.664 12.864 -19.445 1.00 0.00 N ATOM 0 H GLN A 7 12.156 7.770 -21.729 1.00 0.00 H new ATOM 0 HA GLN A 7 9.639 7.728 -20.555 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.665 8.937 -19.805 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.687 9.878 -21.283 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.469 10.901 -20.579 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.630 10.066 -19.046 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.752 13.062 -19.856 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.246 13.629 -19.103 1.00 0.00 H new ATOM 93 N GLU A 8 9.703 9.596 -23.265 1.00 0.00 N ATOM 94 CA GLU A 8 8.911 10.256 -24.302 1.00 0.00 C ATOM 95 C GLU A 8 7.936 9.288 -24.984 1.00 0.00 C ATOM 96 O GLU A 8 6.734 9.534 -25.015 1.00 0.00 O ATOM 97 CB GLU A 8 9.858 10.977 -25.291 1.00 0.00 C ATOM 98 CG GLU A 8 10.757 10.108 -26.202 1.00 0.00 C ATOM 99 CD GLU A 8 11.505 8.993 -25.455 1.00 0.00 C ATOM 100 OE1 GLU A 8 12.260 9.321 -24.512 1.00 0.00 O ATOM 101 OE2 GLU A 8 11.230 7.803 -25.738 1.00 0.00 O ATOM 0 H GLU A 8 10.705 9.747 -23.384 1.00 0.00 H new ATOM 0 HA GLU A 8 8.275 11.013 -23.842 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.249 11.613 -25.933 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.506 11.635 -24.713 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.142 9.660 -26.983 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.484 10.751 -26.699 1.00 0.00 H new ATOM 108 N SER A 9 8.463 8.171 -25.487 1.00 0.00 N ATOM 109 CA SER A 9 7.778 7.131 -26.241 1.00 0.00 C ATOM 110 C SER A 9 6.706 6.434 -25.406 1.00 0.00 C ATOM 111 O SER A 9 5.546 6.424 -25.827 1.00 0.00 O ATOM 112 CB SER A 9 8.805 6.147 -26.833 1.00 0.00 C ATOM 113 OG SER A 9 9.880 5.859 -25.951 1.00 0.00 O ATOM 0 H SER A 9 9.453 7.958 -25.367 1.00 0.00 H new ATOM 0 HA SER A 9 7.247 7.596 -27.072 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.299 5.217 -27.093 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.205 6.562 -27.758 1.00 0.00 H new ATOM 0 HG SER A 9 10.589 6.525 -26.071 1.00 0.00 H new ATOM 119 N ILE A 10 7.052 5.890 -24.227 1.00 0.00 N ATOM 120 CA ILE A 10 6.046 5.255 -23.361 1.00 0.00 C ATOM 121 C ILE A 10 4.988 6.269 -22.906 1.00 0.00 C ATOM 122 O ILE A 10 3.801 5.987 -23.046 1.00 0.00 O ATOM 123 CB ILE A 10 6.687 4.444 -22.206 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.724 3.372 -21.628 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.295 5.320 -21.098 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.737 3.831 -20.544 1.00 0.00 C ATOM 0 H ILE A 10 8.003 5.877 -23.857 1.00 0.00 H new ATOM 0 HA ILE A 10 5.513 4.511 -23.953 1.00 0.00 H new ATOM 0 HB ILE A 10 7.524 3.916 -22.662 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.149 2.953 -22.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.327 2.562 -21.216 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.724 4.683 -20.325 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.075 5.953 -21.521 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.517 5.946 -20.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.125 2.986 -20.228 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.290 4.218 -19.688 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.094 4.615 -20.945 1.00 0.00 H new ATOM 138 N ASN A 11 5.387 7.458 -22.427 1.00 0.00 N ATOM 139 CA ASN A 11 4.458 8.485 -21.954 1.00 0.00 C ATOM 140 C ASN A 11 3.490 8.921 -23.063 1.00 0.00 C ATOM 141 O ASN A 11 2.277 8.906 -22.850 1.00 0.00 O ATOM 142 CB ASN A 11 5.257 9.668 -21.383 1.00 0.00 C ATOM 143 CG ASN A 11 4.361 10.740 -20.789 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.051 10.728 -19.611 1.00 0.00 O ATOM 145 ND2 ASN A 11 3.910 11.685 -21.590 1.00 0.00 N ATOM 0 H ASN A 11 6.368 7.731 -22.359 1.00 0.00 H new ATOM 0 HA ASN A 11 3.840 8.070 -21.158 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.941 9.304 -20.616 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.867 10.105 -22.173 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.297 12.413 -21.225 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.174 11.688 -22.575 1.00 0.00 H new ATOM 152 N GLN A 12 4.013 9.288 -24.244 1.00 0.00 N ATOM 153 CA GLN A 12 3.193 9.673 -25.391 1.00 0.00 C ATOM 154 C GLN A 12 2.234 8.541 -25.765 1.00 0.00 C ATOM 155 O GLN A 12 1.028 8.782 -25.793 1.00 0.00 O ATOM 156 CB GLN A 12 4.083 10.112 -26.570 1.00 0.00 C ATOM 157 CG GLN A 12 3.343 10.881 -27.678 1.00 0.00 C ATOM 158 CD GLN A 12 2.333 10.055 -28.479 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.568 8.916 -28.852 1.00 0.00 O ATOM 160 NE2 GLN A 12 1.176 10.610 -28.785 1.00 0.00 N ATOM 0 H GLN A 12 5.016 9.324 -24.425 1.00 0.00 H new ATOM 0 HA GLN A 12 2.580 10.533 -25.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.889 10.738 -26.187 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.547 9.228 -27.007 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.822 11.725 -27.227 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.080 11.293 -28.367 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.969 11.561 -28.478 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.488 10.088 -29.328 1.00 0.00 H new ATOM 169 N LYS A 13 2.734 7.318 -26.012 1.00 0.00 N ATOM 170 CA LYS A 13 1.878 6.209 -26.450 1.00 0.00 C ATOM 171 C LYS A 13 0.832 5.828 -25.400 1.00 0.00 C ATOM 172 O LYS A 13 -0.315 5.562 -25.754 1.00 0.00 O ATOM 173 CB LYS A 13 2.733 5.007 -26.882 1.00 0.00 C ATOM 174 CG LYS A 13 1.873 4.022 -27.689 1.00 0.00 C ATOM 175 CD LYS A 13 2.698 2.916 -28.357 1.00 0.00 C ATOM 176 CE LYS A 13 1.790 2.230 -29.380 1.00 0.00 C ATOM 177 NZ LYS A 13 2.487 1.207 -30.183 1.00 0.00 N ATOM 0 H LYS A 13 3.720 7.076 -25.916 1.00 0.00 H new ATOM 0 HA LYS A 13 1.315 6.549 -27.319 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.576 5.346 -27.484 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.147 4.509 -26.005 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.134 3.568 -27.029 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.323 4.570 -28.454 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.579 3.334 -28.844 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.053 2.200 -27.616 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.953 1.765 -28.859 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.371 2.983 -30.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.986 1.073 -31.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.462 1.518 -30.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.505 0.308 -29.660 1.00 0.00 H new ATOM 191 N LEU A 14 1.192 5.841 -24.112 1.00 0.00 N ATOM 192 CA LEU A 14 0.252 5.576 -23.028 1.00 0.00 C ATOM 193 C LEU A 14 -0.815 6.678 -22.913 1.00 0.00 C ATOM 194 O LEU A 14 -1.987 6.352 -22.740 1.00 0.00 O ATOM 195 CB LEU A 14 1.025 5.325 -21.726 1.00 0.00 C ATOM 196 CG LEU A 14 0.146 4.645 -20.659 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.976 3.649 -19.855 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.464 5.654 -19.690 1.00 0.00 C ATOM 0 H LEU A 14 2.142 6.036 -23.797 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.309 4.668 -23.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.893 4.699 -21.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.400 6.272 -21.338 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.660 4.138 -21.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.346 3.173 -19.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.380 2.889 -20.524 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.796 4.172 -19.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.075 5.130 -18.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.332 6.195 -19.179 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.085 6.359 -20.242 1.00 0.00 H new ATOM 210 N ALA A 15 -0.467 7.963 -23.068 1.00 0.00 N ATOM 211 CA ALA A 15 -1.474 9.026 -23.151 1.00 0.00 C ATOM 212 C ALA A 15 -2.355 8.907 -24.410 1.00 0.00 C ATOM 213 O ALA A 15 -3.571 9.086 -24.326 1.00 0.00 O ATOM 214 CB ALA A 15 -0.803 10.398 -23.073 1.00 0.00 C ATOM 0 H ALA A 15 0.497 8.288 -23.138 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.141 8.911 -22.297 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.562 11.178 -23.136 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.267 10.488 -22.128 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.101 10.507 -23.900 1.00 0.00 H new ATOM 220 N LEU A 16 -1.760 8.553 -25.559 1.00 0.00 N ATOM 221 CA LEU A 16 -2.461 8.262 -26.815 1.00 0.00 C ATOM 222 C LEU A 16 -3.496 7.143 -26.588 1.00 0.00 C ATOM 223 O LEU A 16 -4.633 7.266 -27.026 1.00 0.00 O ATOM 224 CB LEU A 16 -1.422 7.891 -27.899 1.00 0.00 C ATOM 225 CG LEU A 16 -1.813 8.163 -29.363 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.719 7.604 -30.279 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.154 7.570 -29.787 1.00 0.00 C ATOM 0 H LEU A 16 -0.748 8.459 -25.640 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.007 9.140 -27.161 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.502 8.436 -27.687 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.194 6.830 -27.801 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.917 9.244 -29.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.985 7.791 -31.319 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.229 8.092 -30.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.622 6.531 -30.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.345 7.813 -30.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.128 6.487 -29.665 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.948 7.986 -29.167 1.00 0.00 H new ATOM 239 N VAL A 17 -3.131 6.093 -25.843 1.00 0.00 N ATOM 240 CA VAL A 17 -4.054 5.073 -25.329 1.00 0.00 C ATOM 241 C VAL A 17 -5.130 5.665 -24.418 1.00 0.00 C ATOM 242 O VAL A 17 -6.313 5.511 -24.713 1.00 0.00 O ATOM 243 CB VAL A 17 -3.274 3.914 -24.681 1.00 0.00 C ATOM 244 CG1 VAL A 17 -4.125 3.015 -23.777 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.700 3.055 -25.808 1.00 0.00 C ATOM 0 H VAL A 17 -2.162 5.925 -25.574 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.601 4.656 -26.174 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.507 4.356 -24.046 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.502 2.224 -23.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.548 3.609 -22.967 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.932 2.571 -24.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.140 2.223 -25.382 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.514 2.668 -26.421 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.036 3.661 -26.425 1.00 0.00 H new ATOM 255 N ILE A 18 -4.748 6.346 -23.328 1.00 0.00 N ATOM 256 CA ILE A 18 -5.672 6.944 -22.349 1.00 0.00 C ATOM 257 C ILE A 18 -6.732 7.861 -22.993 1.00 0.00 C ATOM 258 O ILE A 18 -7.850 7.925 -22.482 1.00 0.00 O ATOM 259 CB ILE A 18 -4.865 7.610 -21.205 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.292 6.501 -20.287 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.735 8.581 -20.398 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.591 6.995 -19.014 1.00 0.00 C ATOM 0 H ILE A 18 -3.767 6.501 -23.096 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.267 6.146 -21.905 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.050 8.191 -21.637 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.106 5.836 -19.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.584 5.906 -20.864 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.138 9.030 -19.604 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.112 9.364 -21.056 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.574 8.040 -19.960 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.227 6.140 -18.444 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.751 7.634 -19.286 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.296 7.562 -18.407 1.00 0.00 H new ATOM 274 N LYS A 19 -6.437 8.495 -24.139 1.00 0.00 N ATOM 275 CA LYS A 19 -7.378 9.309 -24.927 1.00 0.00 C ATOM 276 C LYS A 19 -8.732 8.627 -25.192 1.00 0.00 C ATOM 277 O LYS A 19 -9.748 9.320 -25.174 1.00 0.00 O ATOM 278 CB LYS A 19 -6.688 9.710 -26.238 1.00 0.00 C ATOM 279 CG LYS A 19 -7.534 10.620 -27.147 1.00 0.00 C ATOM 280 CD LYS A 19 -6.732 11.156 -28.347 1.00 0.00 C ATOM 281 CE LYS A 19 -6.016 10.071 -29.166 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.951 9.097 -29.772 1.00 0.00 N ATOM 0 H LYS A 19 -5.507 8.454 -24.557 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.629 10.191 -24.337 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.754 10.219 -26.002 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.428 8.806 -26.789 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.399 10.064 -27.510 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.915 11.458 -26.564 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.407 11.704 -29.004 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.991 11.869 -27.985 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.431 10.545 -29.954 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.314 9.541 -28.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.411 8.361 -30.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.528 8.659 -29.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.572 9.586 -30.447 1.00 0.00 H new ATOM 296 N SER A 20 -8.774 7.306 -25.426 1.00 0.00 N ATOM 297 CA SER A 20 -10.047 6.569 -25.550 1.00 0.00 C ATOM 298 C SER A 20 -10.035 5.094 -25.103 1.00 0.00 C ATOM 299 O SER A 20 -11.099 4.472 -25.037 1.00 0.00 O ATOM 300 CB SER A 20 -10.618 6.708 -26.966 1.00 0.00 C ATOM 301 OG SER A 20 -9.878 5.967 -27.904 1.00 0.00 O ATOM 0 H SER A 20 -7.943 6.724 -25.533 1.00 0.00 H new ATOM 0 HA SER A 20 -10.703 7.053 -24.826 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.655 6.372 -26.974 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.621 7.759 -27.255 1.00 0.00 H new ATOM 0 HG SER A 20 -9.225 6.552 -28.341 1.00 0.00 H new ATOM 307 N GLY A 21 -8.886 4.546 -24.689 1.00 0.00 N ATOM 308 CA GLY A 21 -8.750 3.222 -24.081 1.00 0.00 C ATOM 309 C GLY A 21 -9.170 3.212 -22.603 1.00 0.00 C ATOM 310 O GLY A 21 -9.866 4.118 -22.129 1.00 0.00 O ATOM 0 H GLY A 21 -7.994 5.033 -24.773 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.359 2.507 -24.634 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.715 2.891 -24.164 1.00 0.00 H new ATOM 314 N LYS A 22 -8.833 2.139 -21.875 1.00 0.00 N ATOM 315 CA LYS A 22 -9.202 1.956 -20.462 1.00 0.00 C ATOM 316 C LYS A 22 -8.002 1.543 -19.611 1.00 0.00 C ATOM 317 O LYS A 22 -7.349 0.527 -19.872 1.00 0.00 O ATOM 318 CB LYS A 22 -10.377 0.979 -20.296 1.00 0.00 C ATOM 319 CG LYS A 22 -11.733 1.593 -20.696 1.00 0.00 C ATOM 320 CD LYS A 22 -12.114 1.441 -22.181 1.00 0.00 C ATOM 321 CE LYS A 22 -13.146 2.503 -22.584 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.517 3.827 -22.819 1.00 0.00 N ATOM 0 H LYS A 22 -8.290 1.363 -22.254 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.539 2.926 -20.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.193 0.092 -20.902 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.425 0.651 -19.258 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.514 1.134 -20.089 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.719 2.654 -20.449 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.224 1.537 -22.802 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.520 0.445 -22.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.663 2.182 -23.488 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.899 2.593 -21.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.158 4.579 -22.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.621 3.884 -22.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.331 3.947 -23.835 1.00 0.00 H new ATOM 336 N TYR A 23 -7.748 2.368 -18.592 1.00 0.00 N ATOM 337 CA TYR A 23 -6.602 2.342 -17.694 1.00 0.00 C ATOM 338 C TYR A 23 -7.021 2.391 -16.213 1.00 0.00 C ATOM 339 O TYR A 23 -8.190 2.597 -15.891 1.00 0.00 O ATOM 340 CB TYR A 23 -5.725 3.557 -18.044 1.00 0.00 C ATOM 341 CG TYR A 23 -6.370 4.892 -17.708 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.326 5.465 -18.572 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.031 5.543 -16.508 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.954 6.675 -18.224 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.653 6.755 -16.158 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.619 7.323 -17.017 1.00 0.00 C ATOM 347 OH TYR A 23 -8.225 8.497 -16.693 1.00 0.00 O ATOM 0 H TYR A 23 -8.389 3.127 -18.360 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.057 1.407 -17.825 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.778 3.476 -17.510 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.494 3.533 -19.109 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.576 4.975 -19.501 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.290 5.110 -15.852 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.693 7.108 -18.882 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.392 7.250 -15.234 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.885 8.813 -15.830 1.00 0.00 H new ATOM 357 N THR A 24 -6.048 2.241 -15.311 1.00 0.00 N ATOM 358 CA THR A 24 -6.204 2.320 -13.850 1.00 0.00 C ATOM 359 C THR A 24 -4.942 2.927 -13.209 1.00 0.00 C ATOM 360 O THR A 24 -3.846 2.723 -13.739 1.00 0.00 O ATOM 361 CB THR A 24 -6.534 0.909 -13.330 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.911 0.912 -11.982 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.393 -0.095 -13.502 1.00 0.00 C ATOM 0 H THR A 24 -5.085 2.052 -15.588 1.00 0.00 H new ATOM 0 HA THR A 24 -7.023 2.984 -13.575 1.00 0.00 H new ATOM 0 HB THR A 24 -7.371 0.591 -13.951 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.347 0.062 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.701 -1.066 -13.113 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.148 -0.190 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.516 0.254 -12.956 1.00 0.00 H new ATOM 371 N LEU A 25 -5.078 3.684 -12.104 1.00 0.00 N ATOM 372 CA LEU A 25 -4.002 4.488 -11.485 1.00 0.00 C ATOM 373 C LEU A 25 -3.943 4.360 -9.957 1.00 0.00 C ATOM 374 O LEU A 25 -4.961 4.521 -9.276 1.00 0.00 O ATOM 375 CB LEU A 25 -4.187 5.991 -11.788 1.00 0.00 C ATOM 376 CG LEU A 25 -4.141 6.424 -13.257 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.304 7.945 -13.353 1.00 0.00 C ATOM 378 CD2 LEU A 25 -2.814 6.070 -13.919 1.00 0.00 C ATOM 0 H LEU A 25 -5.963 3.757 -11.602 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.082 4.094 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.146 6.303 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.415 6.541 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.949 5.898 -13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.271 8.249 -14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.261 8.236 -12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.496 8.433 -12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.828 6.396 -14.959 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.000 6.569 -13.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.664 4.991 -13.879 1.00 0.00 H new ATOM 390 N GLY A 26 -2.736 4.169 -9.416 1.00 0.00 N ATOM 391 CA GLY A 26 -2.490 4.073 -7.972 1.00 0.00 C ATOM 392 C GLY A 26 -2.626 2.635 -7.464 1.00 0.00 C ATOM 393 O GLY A 26 -3.465 1.881 -7.957 1.00 0.00 O ATOM 0 H GLY A 26 -1.889 4.075 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.490 4.444 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.193 4.714 -7.440 1.00 0.00 H new ATOM 397 N TYR A 27 -1.813 2.258 -6.463 1.00 0.00 N ATOM 398 CA TYR A 27 -1.579 0.866 -6.051 1.00 0.00 C ATOM 399 C TYR A 27 -2.876 0.083 -5.790 1.00 0.00 C ATOM 400 O TYR A 27 -3.101 -0.958 -6.404 1.00 0.00 O ATOM 401 CB TYR A 27 -0.633 0.837 -4.841 1.00 0.00 C ATOM 402 CG TYR A 27 -0.035 -0.532 -4.579 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.156 -0.904 -5.234 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.667 -1.438 -3.699 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.696 -2.175 -5.022 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.106 -2.712 -3.469 1.00 0.00 C ATOM 407 CZ TYR A 27 1.078 -3.079 -4.143 1.00 0.00 C ATOM 408 OH TYR A 27 1.700 -4.263 -3.917 1.00 0.00 O ATOM 0 H TYR A 27 -1.288 2.931 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.102 0.351 -6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.173 1.553 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.178 1.163 -3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.650 -0.209 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.582 -1.155 -3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.598 -2.465 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.578 -3.400 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 27 1.053 -4.911 -3.569 1.00 0.00 H new ATOM 418 N LYS A 28 -3.764 0.645 -4.956 1.00 0.00 N ATOM 419 CA LYS A 28 -5.157 0.221 -4.729 1.00 0.00 C ATOM 420 C LYS A 28 -5.848 -0.203 -6.029 1.00 0.00 C ATOM 421 O LYS A 28 -6.359 -1.316 -6.155 1.00 0.00 O ATOM 422 CB LYS A 28 -5.889 1.412 -4.068 1.00 0.00 C ATOM 423 CG LYS A 28 -7.426 1.294 -4.022 1.00 0.00 C ATOM 424 CD LYS A 28 -8.110 2.591 -3.559 1.00 0.00 C ATOM 425 CE LYS A 28 -7.874 3.826 -4.453 1.00 0.00 C ATOM 426 NZ LYS A 28 -8.335 3.649 -5.854 1.00 0.00 N ATOM 0 H LYS A 28 -3.516 1.455 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.180 -0.657 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.519 1.525 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.626 2.323 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.795 1.028 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.703 0.482 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.183 2.411 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.765 2.823 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.388 4.682 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.810 4.062 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.827 4.510 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.515 3.474 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.986 2.840 -5.906 1.00 0.00 H new ATOM 440 N SER A 29 -5.898 0.740 -6.969 1.00 0.00 N ATOM 441 CA SER A 29 -6.646 0.683 -8.215 1.00 0.00 C ATOM 442 C SER A 29 -6.092 -0.397 -9.129 1.00 0.00 C ATOM 443 O SER A 29 -6.863 -1.245 -9.581 1.00 0.00 O ATOM 444 CB SER A 29 -6.550 2.025 -8.936 1.00 0.00 C ATOM 445 OG SER A 29 -6.653 3.123 -8.045 1.00 0.00 O ATOM 0 H SER A 29 -5.384 1.616 -6.871 1.00 0.00 H new ATOM 0 HA SER A 29 -7.684 0.454 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.601 2.081 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.341 2.091 -9.683 1.00 0.00 H new ATOM 0 HG SER A 29 -5.991 3.804 -8.287 1.00 0.00 H new ATOM 451 N THR A 30 -4.771 -0.384 -9.384 1.00 0.00 N ATOM 452 CA THR A 30 -4.120 -1.463 -10.132 1.00 0.00 C ATOM 453 C THR A 30 -4.380 -2.803 -9.443 1.00 0.00 C ATOM 454 O THR A 30 -5.069 -3.609 -10.051 1.00 0.00 O ATOM 455 CB THR A 30 -2.659 -1.168 -10.505 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.112 -2.273 -11.175 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.747 -0.833 -9.335 1.00 0.00 C ATOM 0 H THR A 30 -4.141 0.359 -9.083 1.00 0.00 H new ATOM 0 HA THR A 30 -4.582 -1.534 -11.117 1.00 0.00 H new ATOM 0 HB THR A 30 -2.704 -0.278 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.240 -2.166 -12.141 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.739 -0.641 -9.703 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.122 0.054 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.726 -1.671 -8.639 1.00 0.00 H new ATOM 465 N VAL A 31 -4.018 -3.024 -8.170 1.00 0.00 N ATOM 466 CA VAL A 31 -4.260 -4.309 -7.476 1.00 0.00 C ATOM 467 C VAL A 31 -5.698 -4.822 -7.652 1.00 0.00 C ATOM 468 O VAL A 31 -5.882 -5.964 -8.074 1.00 0.00 O ATOM 469 CB VAL A 31 -3.852 -4.239 -5.989 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.296 -5.492 -5.216 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.327 -4.115 -5.877 1.00 0.00 C ATOM 0 H VAL A 31 -3.552 -2.325 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.616 -5.044 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.345 -3.368 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.990 -5.404 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.381 -5.587 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.833 -6.375 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.042 -4.066 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.856 -4.982 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.997 -3.209 -6.385 1.00 0.00 H new ATOM 481 N LYS A 32 -6.714 -3.982 -7.400 1.00 0.00 N ATOM 482 CA LYS A 32 -8.129 -4.300 -7.649 1.00 0.00 C ATOM 483 C LYS A 32 -8.398 -4.702 -9.111 1.00 0.00 C ATOM 484 O LYS A 32 -9.038 -5.720 -9.372 1.00 0.00 O ATOM 485 CB LYS A 32 -8.967 -3.089 -7.198 1.00 0.00 C ATOM 486 CG LYS A 32 -10.488 -3.203 -7.385 1.00 0.00 C ATOM 487 CD LYS A 32 -11.102 -4.454 -6.734 1.00 0.00 C ATOM 488 CE LYS A 32 -12.603 -4.308 -6.441 1.00 0.00 C ATOM 489 NZ LYS A 32 -13.373 -3.846 -7.621 1.00 0.00 N ATOM 0 H LYS A 32 -6.574 -3.049 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.417 -5.178 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.765 -2.908 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.620 -2.211 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.964 -2.316 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.714 -3.212 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.948 -5.310 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.576 -4.667 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.999 -5.267 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.742 -3.602 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.329 -4.254 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.439 -2.808 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.892 -4.152 -8.491 1.00 0.00 H new ATOM 503 N SER A 33 -7.886 -3.917 -10.062 1.00 0.00 N ATOM 504 CA SER A 33 -8.035 -4.124 -11.509 1.00 0.00 C ATOM 505 C SER A 33 -7.338 -5.403 -12.001 1.00 0.00 C ATOM 506 O SER A 33 -7.893 -6.125 -12.826 1.00 0.00 O ATOM 507 CB SER A 33 -7.468 -2.928 -12.283 1.00 0.00 C ATOM 508 OG SER A 33 -7.939 -1.684 -11.790 1.00 0.00 O ATOM 0 H SER A 33 -7.335 -3.088 -9.839 1.00 0.00 H new ATOM 0 HA SER A 33 -9.104 -4.227 -11.694 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.380 -2.948 -12.228 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.735 -3.022 -13.336 1.00 0.00 H new ATOM 0 HG SER A 33 -7.589 -1.536 -10.887 1.00 0.00 H new ATOM 514 N LEU A 34 -6.132 -5.696 -11.498 1.00 0.00 N ATOM 515 CA LEU A 34 -5.371 -6.904 -11.828 1.00 0.00 C ATOM 516 C LEU A 34 -6.002 -8.151 -11.195 1.00 0.00 C ATOM 517 O LEU A 34 -6.083 -9.187 -11.850 1.00 0.00 O ATOM 518 CB LEU A 34 -3.901 -6.779 -11.390 1.00 0.00 C ATOM 519 CG LEU A 34 -3.128 -5.525 -11.829 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.695 -5.575 -11.306 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.138 -5.299 -13.330 1.00 0.00 C ATOM 0 H LEU A 34 -5.650 -5.087 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.400 -7.013 -12.912 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.870 -6.828 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.365 -7.651 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.650 -4.674 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.160 -4.680 -11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.707 -5.622 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.194 -6.458 -11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.574 -4.397 -13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.682 -6.154 -13.830 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.166 -5.184 -13.674 1.00 0.00 H new ATOM 533 N ARG A 35 -6.521 -8.050 -9.958 1.00 0.00 N ATOM 534 CA ARG A 35 -7.343 -9.098 -9.329 1.00 0.00 C ATOM 535 C ARG A 35 -8.636 -9.386 -10.107 1.00 0.00 C ATOM 536 O ARG A 35 -9.102 -10.520 -10.090 1.00 0.00 O ATOM 537 CB ARG A 35 -7.637 -8.725 -7.867 1.00 0.00 C ATOM 538 CG ARG A 35 -6.419 -8.984 -6.965 1.00 0.00 C ATOM 539 CD ARG A 35 -6.578 -8.289 -5.608 1.00 0.00 C ATOM 540 NE ARG A 35 -5.603 -8.791 -4.620 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.771 -9.758 -3.728 1.00 0.00 C ATOM 542 NH1 ARG A 35 -6.906 -10.401 -3.588 1.00 0.00 N ATOM 543 NH2 ARG A 35 -4.768 -10.103 -2.959 1.00 0.00 N ATOM 0 H ARG A 35 -6.380 -7.233 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.769 -10.024 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.918 -7.674 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.488 -9.303 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.295 -10.057 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.515 -8.625 -7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.449 -7.214 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.590 -8.448 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.689 -8.339 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.703 -10.163 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.991 -11.139 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.869 -9.629 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.886 -10.845 -2.269 1.00 0.00 H new ATOM 557 N GLN A 36 -9.170 -8.405 -10.845 1.00 0.00 N ATOM 558 CA GLN A 36 -10.227 -8.600 -11.850 1.00 0.00 C ATOM 559 C GLN A 36 -9.726 -9.166 -13.202 1.00 0.00 C ATOM 560 O GLN A 36 -10.512 -9.291 -14.140 1.00 0.00 O ATOM 561 CB GLN A 36 -11.020 -7.292 -12.026 1.00 0.00 C ATOM 562 CG GLN A 36 -11.939 -7.038 -10.821 1.00 0.00 C ATOM 563 CD GLN A 36 -12.713 -5.727 -10.926 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.746 -4.931 -9.998 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.390 -5.465 -12.028 1.00 0.00 N ATOM 0 H GLN A 36 -8.874 -7.433 -10.760 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.890 -9.376 -11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.329 -6.457 -12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.616 -7.344 -12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.645 -7.864 -10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.340 -7.028 -9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.369 -6.122 -12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.934 -4.605 -12.100 1.00 0.00 H new ATOM 574 N GLY A 37 -8.445 -9.534 -13.332 1.00 0.00 N ATOM 575 CA GLY A 37 -7.912 -10.444 -14.355 1.00 0.00 C ATOM 576 C GLY A 37 -7.769 -9.893 -15.780 1.00 0.00 C ATOM 577 O GLY A 37 -7.009 -10.456 -16.566 1.00 0.00 O ATOM 0 H GLY A 37 -7.721 -9.191 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.931 -10.785 -14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.557 -11.321 -14.396 1.00 0.00 H new ATOM 581 N LYS A 38 -8.478 -8.812 -16.128 1.00 0.00 N ATOM 582 CA LYS A 38 -8.659 -8.347 -17.514 1.00 0.00 C ATOM 583 C LYS A 38 -7.577 -7.371 -18.036 1.00 0.00 C ATOM 584 O LYS A 38 -7.612 -6.980 -19.205 1.00 0.00 O ATOM 585 CB LYS A 38 -10.114 -7.839 -17.643 1.00 0.00 C ATOM 586 CG LYS A 38 -10.557 -7.329 -19.026 1.00 0.00 C ATOM 587 CD LYS A 38 -10.287 -8.312 -20.190 1.00 0.00 C ATOM 588 CE LYS A 38 -10.232 -7.626 -21.559 1.00 0.00 C ATOM 589 NZ LYS A 38 -9.213 -6.555 -21.587 1.00 0.00 N ATOM 0 H LYS A 38 -8.952 -8.223 -15.443 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.504 -9.186 -18.192 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.782 -8.649 -17.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.256 -7.033 -16.923 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.624 -7.109 -18.993 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.044 -6.390 -19.234 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.343 -8.827 -20.011 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.068 -9.073 -20.203 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.007 -8.364 -22.329 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.209 -7.206 -21.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.190 -6.122 -22.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.452 -5.830 -20.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.280 -6.958 -21.368 1.00 0.00 H new ATOM 603 N SER A 39 -6.584 -7.011 -17.213 1.00 0.00 N ATOM 604 CA SER A 39 -5.426 -6.208 -17.641 1.00 0.00 C ATOM 605 C SER A 39 -4.618 -6.872 -18.763 1.00 0.00 C ATOM 606 O SER A 39 -4.716 -8.083 -18.981 1.00 0.00 O ATOM 607 CB SER A 39 -4.505 -5.928 -16.448 1.00 0.00 C ATOM 608 OG SER A 39 -3.858 -7.104 -15.987 1.00 0.00 O ATOM 0 H SER A 39 -6.559 -7.269 -16.226 1.00 0.00 H new ATOM 0 HA SER A 39 -5.826 -5.275 -18.037 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.755 -5.191 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.087 -5.492 -15.636 1.00 0.00 H new ATOM 0 HG SER A 39 -3.032 -7.244 -16.496 1.00 0.00 H new ATOM 614 N LYS A 40 -3.736 -6.107 -19.423 1.00 0.00 N ATOM 615 CA LYS A 40 -2.681 -6.685 -20.270 1.00 0.00 C ATOM 616 C LYS A 40 -1.307 -6.017 -20.156 1.00 0.00 C ATOM 617 O LYS A 40 -0.305 -6.663 -20.469 1.00 0.00 O ATOM 618 CB LYS A 40 -3.209 -6.736 -21.707 1.00 0.00 C ATOM 619 CG LYS A 40 -2.440 -7.665 -22.664 1.00 0.00 C ATOM 620 CD LYS A 40 -2.280 -9.129 -22.220 1.00 0.00 C ATOM 621 CE LYS A 40 -3.605 -9.862 -21.957 1.00 0.00 C ATOM 622 NZ LYS A 40 -3.825 -10.140 -20.516 1.00 0.00 N ATOM 0 H LYS A 40 -3.732 -5.088 -19.387 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.472 -7.691 -19.906 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.252 -7.053 -21.681 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.192 -5.726 -22.118 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.946 -7.655 -23.629 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.446 -7.246 -22.821 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.726 -9.670 -22.987 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.677 -9.157 -21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.431 -9.261 -22.338 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.613 -10.801 -22.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.416 -10.989 -20.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.909 -10.297 -20.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.304 -9.329 -20.075 1.00 0.00 H new ATOM 636 N LEU A 41 -1.226 -4.786 -19.633 1.00 0.00 N ATOM 637 CA LEU A 41 0.049 -4.087 -19.409 1.00 0.00 C ATOM 638 C LEU A 41 0.007 -3.345 -18.061 1.00 0.00 C ATOM 639 O LEU A 41 -0.942 -2.602 -17.817 1.00 0.00 O ATOM 640 CB LEU A 41 0.277 -3.203 -20.657 1.00 0.00 C ATOM 641 CG LEU A 41 1.370 -2.117 -20.659 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.983 -0.917 -19.800 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.767 -2.617 -20.279 1.00 0.00 C ATOM 0 H LEU A 41 -2.044 -4.245 -19.352 1.00 0.00 H new ATOM 0 HA LEU A 41 0.907 -4.752 -19.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.488 -3.873 -21.491 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.669 -2.708 -20.877 1.00 0.00 H new ATOM 0 HG LEU A 41 1.435 -1.803 -21.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.782 -0.176 -19.830 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.064 -0.476 -20.185 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.827 -1.241 -18.771 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.471 -1.785 -20.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.742 -3.038 -19.274 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.083 -3.384 -20.985 1.00 0.00 H new ATOM 655 N ILE A 42 1.020 -3.524 -17.195 1.00 0.00 N ATOM 656 CA ILE A 42 1.237 -2.703 -15.993 1.00 0.00 C ATOM 657 C ILE A 42 2.525 -1.875 -16.100 1.00 0.00 C ATOM 658 O ILE A 42 3.555 -2.362 -16.571 1.00 0.00 O ATOM 659 CB ILE A 42 1.187 -3.513 -14.672 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.386 -4.436 -14.376 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.099 -4.339 -14.528 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.375 -4.907 -12.916 1.00 0.00 C ATOM 0 H ILE A 42 1.721 -4.255 -17.313 1.00 0.00 H new ATOM 0 HA ILE A 42 0.395 -2.012 -15.949 1.00 0.00 H new ATOM 0 HB ILE A 42 1.223 -2.712 -13.934 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.356 -5.300 -15.040 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.316 -3.907 -14.583 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.077 -4.884 -13.585 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.962 -3.674 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.172 -5.046 -15.354 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.232 -5.556 -12.737 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.430 -4.043 -12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.455 -5.457 -12.718 1.00 0.00 H new ATOM 674 N ILE A 43 2.472 -0.633 -15.605 1.00 0.00 N ATOM 675 CA ILE A 43 3.624 0.266 -15.475 1.00 0.00 C ATOM 676 C ILE A 43 3.864 0.548 -13.999 1.00 0.00 C ATOM 677 O ILE A 43 2.922 0.818 -13.253 1.00 0.00 O ATOM 678 CB ILE A 43 3.413 1.622 -16.182 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.839 1.542 -17.610 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.725 2.427 -16.187 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.715 0.788 -18.614 1.00 0.00 C ATOM 0 H ILE A 43 1.602 -0.214 -15.275 1.00 0.00 H new ATOM 0 HA ILE A 43 4.471 -0.234 -15.944 1.00 0.00 H new ATOM 0 HB ILE A 43 2.646 2.128 -15.595 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.863 1.059 -17.567 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.678 2.555 -17.979 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.564 3.382 -16.688 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.046 2.606 -15.161 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.495 1.865 -16.716 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.229 0.784 -19.590 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.684 1.280 -18.693 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.856 -0.238 -18.275 1.00 0.00 H new ATOM 693 N ILE A 44 5.137 0.562 -13.608 1.00 0.00 N ATOM 694 CA ILE A 44 5.577 0.972 -12.282 1.00 0.00 C ATOM 695 C ILE A 44 6.653 2.048 -12.447 1.00 0.00 C ATOM 696 O ILE A 44 7.840 1.749 -12.573 1.00 0.00 O ATOM 697 CB ILE A 44 6.024 -0.258 -11.468 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.909 -1.322 -11.308 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.483 0.109 -10.063 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.151 -2.483 -12.257 1.00 0.00 C ATOM 0 H ILE A 44 5.905 0.282 -14.219 1.00 0.00 H new ATOM 0 HA ILE A 44 4.765 1.415 -11.706 1.00 0.00 H new ATOM 0 HB ILE A 44 6.850 -0.669 -12.048 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.885 -1.682 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.937 -0.874 -11.511 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.787 -0.793 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.327 0.796 -10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.664 0.587 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.361 -3.224 -12.135 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.151 -2.119 -13.284 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.115 -2.941 -12.034 1.00 0.00 H new ATOM 712 N ALA A 45 6.211 3.308 -12.460 1.00 0.00 N ATOM 713 CA ALA A 45 7.025 4.520 -12.378 1.00 0.00 C ATOM 714 C ALA A 45 6.863 5.179 -10.995 1.00 0.00 C ATOM 715 O ALA A 45 6.617 6.380 -10.870 1.00 0.00 O ATOM 716 CB ALA A 45 6.661 5.448 -13.545 1.00 0.00 C ATOM 0 H ALA A 45 5.216 3.520 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 45 8.084 4.280 -12.474 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.264 6.354 -13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.855 4.939 -14.489 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.605 5.711 -13.485 1.00 0.00 H new ATOM 722 N ALA A 46 6.955 4.356 -9.945 1.00 0.00 N ATOM 723 CA ALA A 46 6.724 4.711 -8.548 1.00 0.00 C ATOM 724 C ALA A 46 7.686 3.928 -7.641 1.00 0.00 C ATOM 725 O ALA A 46 8.057 2.799 -7.972 1.00 0.00 O ATOM 726 CB ALA A 46 5.269 4.362 -8.214 1.00 0.00 C ATOM 0 H ALA A 46 7.206 3.374 -10.057 1.00 0.00 H new ATOM 0 HA ALA A 46 6.903 5.774 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.063 4.616 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.601 4.927 -8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.107 3.295 -8.366 1.00 0.00 H new ATOM 732 N ASN A 47 8.033 4.504 -6.482 1.00 0.00 N ATOM 733 CA ASN A 47 9.027 4.023 -5.511 1.00 0.00 C ATOM 734 C ASN A 47 8.611 2.707 -4.828 1.00 0.00 C ATOM 735 O ASN A 47 8.153 2.687 -3.687 1.00 0.00 O ATOM 736 CB ASN A 47 9.306 5.163 -4.514 1.00 0.00 C ATOM 737 CG ASN A 47 9.711 6.422 -5.257 1.00 0.00 C ATOM 738 OD1 ASN A 47 8.871 7.218 -5.661 1.00 0.00 O ATOM 739 ND2 ASN A 47 10.983 6.575 -5.561 1.00 0.00 N ATOM 0 H ASN A 47 7.599 5.375 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 47 9.950 3.766 -6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.417 5.356 -3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.098 4.868 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.278 7.362 -6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.673 5.906 -5.219 1.00 0.00 H new ATOM 746 N THR A 48 8.728 1.612 -5.578 1.00 0.00 N ATOM 747 CA THR A 48 8.076 0.324 -5.324 1.00 0.00 C ATOM 748 C THR A 48 9.082 -0.737 -4.838 1.00 0.00 C ATOM 749 O THR A 48 9.798 -1.294 -5.670 1.00 0.00 O ATOM 750 CB THR A 48 7.324 -0.116 -6.591 1.00 0.00 C ATOM 751 OG1 THR A 48 6.499 0.932 -7.043 1.00 0.00 O ATOM 752 CG2 THR A 48 6.405 -1.300 -6.332 1.00 0.00 C ATOM 0 H THR A 48 9.306 1.596 -6.418 1.00 0.00 H new ATOM 0 HA THR A 48 7.354 0.438 -4.515 1.00 0.00 H new ATOM 0 HB THR A 48 8.085 -0.389 -7.322 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.971 1.447 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.896 -1.574 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.993 -2.146 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.667 -1.029 -5.577 1.00 0.00 H new ATOM 760 N PRO A 49 9.182 -1.027 -3.522 1.00 0.00 N ATOM 761 CA PRO A 49 10.178 -1.959 -2.981 1.00 0.00 C ATOM 762 C PRO A 49 9.869 -3.432 -3.305 1.00 0.00 C ATOM 763 O PRO A 49 8.790 -3.766 -3.792 1.00 0.00 O ATOM 764 CB PRO A 49 10.202 -1.680 -1.473 1.00 0.00 C ATOM 765 CG PRO A 49 8.779 -1.210 -1.179 1.00 0.00 C ATOM 766 CD PRO A 49 8.402 -0.439 -2.444 1.00 0.00 C ATOM 0 HA PRO A 49 11.155 -1.801 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.456 -2.573 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.938 -0.918 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.106 -2.049 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.738 -0.576 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.334 -0.520 -2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.626 0.622 -2.335 1.00 0.00 H new ATOM 774 N VAL A 50 10.821 -4.327 -3.004 1.00 0.00 N ATOM 775 CA VAL A 50 10.876 -5.729 -3.466 1.00 0.00 C ATOM 776 C VAL A 50 9.572 -6.512 -3.255 1.00 0.00 C ATOM 777 O VAL A 50 9.096 -7.160 -4.186 1.00 0.00 O ATOM 778 CB VAL A 50 12.072 -6.473 -2.828 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.190 -7.916 -3.343 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.403 -5.764 -3.128 1.00 0.00 C ATOM 0 H VAL A 50 11.611 -4.086 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 50 11.017 -5.677 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 50 11.880 -6.477 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.043 -8.403 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.279 -8.464 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.332 -7.906 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.221 -6.315 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.558 -5.723 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.374 -4.751 -2.727 1.00 0.00 H new ATOM 790 N LEU A 51 8.978 -6.472 -2.059 1.00 0.00 N ATOM 791 CA LEU A 51 7.714 -7.166 -1.782 1.00 0.00 C ATOM 792 C LEU A 51 6.558 -6.556 -2.594 1.00 0.00 C ATOM 793 O LEU A 51 5.767 -7.278 -3.195 1.00 0.00 O ATOM 794 CB LEU A 51 7.397 -7.122 -0.271 1.00 0.00 C ATOM 795 CG LEU A 51 8.248 -8.009 0.665 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.191 -9.490 0.283 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.715 -7.577 0.770 1.00 0.00 C ATOM 0 H LEU A 51 9.355 -5.962 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 51 7.825 -8.207 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.496 -6.089 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.352 -7.401 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 51 7.789 -7.870 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.806 -10.068 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.160 -9.840 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.566 -9.619 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.245 -8.249 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.177 -7.615 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.768 -6.559 1.156 1.00 0.00 H new ATOM 809 N ARG A 52 6.492 -5.220 -2.636 1.00 0.00 N ATOM 810 CA ARG A 52 5.467 -4.416 -3.308 1.00 0.00 C ATOM 811 C ARG A 52 5.496 -4.652 -4.825 1.00 0.00 C ATOM 812 O ARG A 52 4.458 -4.923 -5.432 1.00 0.00 O ATOM 813 CB ARG A 52 5.708 -2.944 -2.908 1.00 0.00 C ATOM 814 CG ARG A 52 4.478 -2.036 -2.937 1.00 0.00 C ATOM 815 CD ARG A 52 3.620 -2.099 -1.661 1.00 0.00 C ATOM 816 NE ARG A 52 2.925 -3.390 -1.492 1.00 0.00 N ATOM 817 CZ ARG A 52 2.724 -4.091 -0.382 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.211 -3.712 0.777 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.019 -5.196 -0.407 1.00 0.00 N ATOM 0 H ARG A 52 7.193 -4.639 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 52 4.463 -4.704 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.127 -2.925 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.461 -2.525 -3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.803 -1.007 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.859 -2.308 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.256 -1.920 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.882 -1.297 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 52 2.547 -3.801 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.762 -2.856 0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.038 -4.273 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.618 -5.526 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.871 -5.726 0.452 1.00 0.00 H new ATOM 833 N LYS A 53 6.697 -4.621 -5.431 1.00 0.00 N ATOM 834 CA LYS A 53 6.884 -4.930 -6.855 1.00 0.00 C ATOM 835 C LYS A 53 6.478 -6.375 -7.123 1.00 0.00 C ATOM 836 O LYS A 53 5.693 -6.619 -8.033 1.00 0.00 O ATOM 837 CB LYS A 53 8.298 -4.550 -7.367 1.00 0.00 C ATOM 838 CG LYS A 53 9.468 -5.542 -7.221 1.00 0.00 C ATOM 839 CD LYS A 53 9.539 -6.612 -8.323 1.00 0.00 C ATOM 840 CE LYS A 53 10.593 -7.685 -8.039 1.00 0.00 C ATOM 841 NZ LYS A 53 10.627 -8.681 -9.134 1.00 0.00 N ATOM 0 H LYS A 53 7.562 -4.381 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 53 6.221 -4.300 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.205 -4.314 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.589 -3.630 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.403 -4.982 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.388 -6.039 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.563 -7.086 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.763 -6.132 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.573 -7.221 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.370 -8.181 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.575 -9.105 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.925 -9.426 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.404 -8.213 -10.036 1.00 0.00 H new ATOM 855 N SER A 54 6.952 -7.310 -6.289 1.00 0.00 N ATOM 856 CA SER A 54 6.672 -8.742 -6.432 1.00 0.00 C ATOM 857 C SER A 54 5.176 -9.052 -6.335 1.00 0.00 C ATOM 858 O SER A 54 4.703 -9.927 -7.048 1.00 0.00 O ATOM 859 CB SER A 54 7.445 -9.572 -5.402 1.00 0.00 C ATOM 860 OG SER A 54 8.829 -9.291 -5.478 1.00 0.00 O ATOM 0 H SER A 54 7.546 -7.090 -5.489 1.00 0.00 H new ATOM 0 HA SER A 54 7.010 -9.021 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.078 -9.352 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.273 -10.634 -5.579 1.00 0.00 H new ATOM 0 HG SER A 54 9.040 -8.526 -4.903 1.00 0.00 H new ATOM 866 N GLU A 55 4.413 -8.322 -5.514 1.00 0.00 N ATOM 867 CA GLU A 55 2.953 -8.430 -5.476 1.00 0.00 C ATOM 868 C GLU A 55 2.309 -7.983 -6.807 1.00 0.00 C ATOM 869 O GLU A 55 1.492 -8.718 -7.361 1.00 0.00 O ATOM 870 CB GLU A 55 2.409 -7.603 -4.299 1.00 0.00 C ATOM 871 CG GLU A 55 1.051 -8.119 -3.799 1.00 0.00 C ATOM 872 CD GLU A 55 0.213 -7.075 -3.041 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.762 -6.027 -2.609 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.014 -7.304 -2.930 1.00 0.00 O ATOM 0 H GLU A 55 4.792 -7.640 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 55 2.690 -9.478 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.127 -7.626 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.309 -6.562 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.476 -8.478 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.220 -8.975 -3.146 1.00 0.00 H new ATOM 881 N LEU A 56 2.687 -6.814 -7.357 1.00 0.00 N ATOM 882 CA LEU A 56 2.189 -6.370 -8.678 1.00 0.00 C ATOM 883 C LEU A 56 2.552 -7.343 -9.796 1.00 0.00 C ATOM 884 O LEU A 56 1.734 -7.653 -10.658 1.00 0.00 O ATOM 885 CB LEU A 56 2.693 -4.961 -9.030 1.00 0.00 C ATOM 886 CG LEU A 56 2.112 -3.819 -8.176 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.864 -2.602 -9.062 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.776 -4.149 -7.514 1.00 0.00 C ATOM 0 H LEU A 56 3.332 -6.161 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 56 1.102 -6.345 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.779 -4.947 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.463 -4.762 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 56 2.849 -3.640 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.453 -1.792 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.804 -2.280 -9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.158 -2.863 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.437 -3.292 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.037 -4.382 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.899 -5.009 -6.856 1.00 0.00 H new ATOM 900 N GLU A 57 3.783 -7.829 -9.739 1.00 0.00 N ATOM 901 CA GLU A 57 4.353 -8.852 -10.614 1.00 0.00 C ATOM 902 C GLU A 57 3.568 -10.171 -10.526 1.00 0.00 C ATOM 903 O GLU A 57 3.231 -10.757 -11.555 1.00 0.00 O ATOM 904 CB GLU A 57 5.825 -9.019 -10.222 1.00 0.00 C ATOM 905 CG GLU A 57 6.745 -9.634 -11.274 1.00 0.00 C ATOM 906 CD GLU A 57 8.185 -9.412 -10.804 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.695 -10.224 -9.998 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.768 -8.341 -11.117 1.00 0.00 O ATOM 0 H GLU A 57 4.452 -7.503 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 57 4.284 -8.546 -11.658 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.220 -8.039 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.871 -9.637 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.538 -10.698 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.582 -9.169 -12.246 1.00 0.00 H new ATOM 915 N TYR A 58 3.203 -10.604 -9.311 1.00 0.00 N ATOM 916 CA TYR A 58 2.314 -11.739 -9.060 1.00 0.00 C ATOM 917 C TYR A 58 0.935 -11.526 -9.697 1.00 0.00 C ATOM 918 O TYR A 58 0.443 -12.410 -10.396 1.00 0.00 O ATOM 919 CB TYR A 58 2.194 -11.988 -7.549 1.00 0.00 C ATOM 920 CG TYR A 58 1.631 -13.346 -7.189 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.239 -13.567 -7.159 1.00 0.00 C ATOM 922 CD2 TYR A 58 2.518 -14.391 -6.867 1.00 0.00 C ATOM 923 CE1 TYR A 58 -0.261 -14.837 -6.816 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.023 -15.666 -6.534 1.00 0.00 C ATOM 925 CZ TYR A 58 0.628 -15.890 -6.512 1.00 0.00 C ATOM 926 OH TYR A 58 0.133 -17.116 -6.191 1.00 0.00 O ATOM 0 H TYR A 58 3.530 -10.159 -8.453 1.00 0.00 H new ATOM 0 HA TYR A 58 2.748 -12.623 -9.526 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.179 -11.883 -7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.559 -11.216 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.442 -12.764 -7.399 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.583 -14.213 -6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.327 -15.006 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.706 -16.469 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 58 0.874 -17.731 -6.010 1.00 0.00 H new ATOM 936 N TYR A 59 0.307 -10.358 -9.500 1.00 0.00 N ATOM 937 CA TYR A 59 -0.971 -10.082 -10.158 1.00 0.00 C ATOM 938 C TYR A 59 -0.844 -10.026 -11.687 1.00 0.00 C ATOM 939 O TYR A 59 -1.664 -10.638 -12.362 1.00 0.00 O ATOM 940 CB TYR A 59 -1.639 -8.820 -9.619 1.00 0.00 C ATOM 941 CG TYR A 59 -1.889 -8.790 -8.126 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.606 -9.831 -7.504 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.435 -7.699 -7.367 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.847 -9.794 -6.118 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.672 -7.659 -5.984 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.374 -8.706 -5.354 1.00 0.00 C ATOM 947 OH TYR A 59 -2.642 -8.647 -4.019 1.00 0.00 O ATOM 0 H TYR A 59 0.656 -9.607 -8.904 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.618 -10.925 -9.917 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.018 -7.963 -9.881 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.593 -8.691 -10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.972 -10.660 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.904 -6.891 -7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.392 -10.595 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.315 -6.823 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.842 -8.350 -3.537 1.00 0.00 H new ATOM 957 N ALA A 60 0.193 -9.380 -12.240 1.00 0.00 N ATOM 958 CA ALA A 60 0.511 -9.428 -13.667 1.00 0.00 C ATOM 959 C ALA A 60 0.685 -10.868 -14.194 1.00 0.00 C ATOM 960 O ALA A 60 0.185 -11.191 -15.271 1.00 0.00 O ATOM 961 CB ALA A 60 1.763 -8.589 -13.926 1.00 0.00 C ATOM 0 H ALA A 60 0.839 -8.804 -11.700 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.333 -9.012 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.008 -8.619 -14.988 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.579 -7.558 -13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.596 -8.992 -13.350 1.00 0.00 H new ATOM 967 N MET A 61 1.360 -11.744 -13.437 1.00 0.00 N ATOM 968 CA MET A 61 1.482 -13.180 -13.718 1.00 0.00 C ATOM 969 C MET A 61 0.118 -13.896 -13.708 1.00 0.00 C ATOM 970 O MET A 61 -0.113 -14.771 -14.547 1.00 0.00 O ATOM 971 CB MET A 61 2.461 -13.801 -12.705 1.00 0.00 C ATOM 972 CG MET A 61 2.646 -15.317 -12.847 1.00 0.00 C ATOM 973 SD MET A 61 3.530 -16.087 -11.464 1.00 0.00 S ATOM 974 CE MET A 61 2.274 -15.974 -10.157 1.00 0.00 C ATOM 0 H MET A 61 1.850 -11.464 -12.587 1.00 0.00 H new ATOM 0 HA MET A 61 1.874 -13.309 -14.727 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.432 -13.317 -12.814 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.108 -13.584 -11.697 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.666 -15.784 -12.943 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.189 -15.521 -13.770 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.549 -16.630 -9.331 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.212 -14.946 -9.800 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.306 -16.278 -10.555 1.00 0.00 H new ATOM 984 N LEU A 62 -0.801 -13.540 -12.798 1.00 0.00 N ATOM 985 CA LEU A 62 -2.187 -14.020 -12.831 1.00 0.00 C ATOM 986 C LEU A 62 -2.926 -13.508 -14.080 1.00 0.00 C ATOM 987 O LEU A 62 -3.357 -14.319 -14.902 1.00 0.00 O ATOM 988 CB LEU A 62 -2.955 -13.650 -11.546 1.00 0.00 C ATOM 989 CG LEU A 62 -2.456 -14.314 -10.247 1.00 0.00 C ATOM 990 CD1 LEU A 62 -3.304 -13.795 -9.083 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.568 -15.840 -10.276 1.00 0.00 C ATOM 0 H LEU A 62 -0.602 -12.911 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.146 -15.108 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.911 -12.568 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.004 -13.912 -11.685 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.402 -14.062 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.966 -14.254 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.200 -12.712 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.350 -14.049 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.202 -16.250 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.611 -16.126 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.971 -16.233 -11.099 1.00 0.00 H new ATOM 1003 N SER A 63 -3.065 -12.188 -14.244 1.00 0.00 N ATOM 1004 CA SER A 63 -3.849 -11.523 -15.292 1.00 0.00 C ATOM 1005 C SER A 63 -3.139 -11.480 -16.660 1.00 0.00 C ATOM 1006 O SER A 63 -3.142 -10.442 -17.326 1.00 0.00 O ATOM 1007 CB SER A 63 -4.244 -10.118 -14.801 1.00 0.00 C ATOM 1008 OG SER A 63 -3.143 -9.249 -14.626 1.00 0.00 O ATOM 0 H SER A 63 -2.612 -11.521 -13.619 1.00 0.00 H new ATOM 0 HA SER A 63 -4.747 -12.116 -15.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.937 -9.674 -15.516 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.778 -10.210 -13.855 1.00 0.00 H new ATOM 0 HG SER A 63 -3.350 -8.376 -15.020 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.561 -12.602 -17.130 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.240 -12.665 -17.797 1.00 0.00 C ATOM 1016 C LYS A 64 -0.918 -11.403 -18.609 1.00 0.00 C ATOM 1017 O LYS A 64 -1.439 -11.184 -19.703 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.123 -13.902 -18.714 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.979 -15.239 -17.972 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.318 -15.950 -17.727 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.160 -17.112 -16.742 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.950 -16.622 -15.361 1.00 0.00 N ATOM 0 H LYS A 64 -3.009 -13.515 -17.056 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.512 -12.742 -16.989 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.005 -13.949 -19.352 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.262 -13.771 -19.370 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.327 -15.897 -18.547 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.489 -15.063 -17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.045 -15.237 -17.338 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.712 -16.323 -18.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.048 -17.743 -16.775 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.316 -17.734 -17.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.931 -17.429 -14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.046 -16.111 -15.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.726 -15.981 -15.098 1.00 0.00 H new ATOM 1036 N THR A 65 -0.129 -10.533 -17.979 1.00 0.00 N ATOM 1037 CA THR A 65 0.077 -9.111 -18.275 1.00 0.00 C ATOM 1038 C THR A 65 1.573 -8.785 -18.278 1.00 0.00 C ATOM 1039 O THR A 65 2.324 -9.322 -17.462 1.00 0.00 O ATOM 1040 CB THR A 65 -0.678 -8.300 -17.199 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.049 -8.202 -17.514 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.176 -6.886 -16.946 1.00 0.00 C ATOM 0 H THR A 65 0.431 -10.828 -17.180 1.00 0.00 H new ATOM 0 HA THR A 65 -0.306 -8.856 -19.263 1.00 0.00 H new ATOM 0 HB THR A 65 -0.493 -8.872 -16.290 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.536 -8.939 -17.090 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.783 -6.417 -16.172 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.863 -6.922 -16.620 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.248 -6.304 -17.865 1.00 0.00 H new ATOM 1050 N LYS A 66 2.014 -7.878 -19.163 1.00 0.00 N ATOM 1051 CA LYS A 66 3.413 -7.423 -19.201 1.00 0.00 C ATOM 1052 C LYS A 66 3.683 -6.386 -18.104 1.00 0.00 C ATOM 1053 O LYS A 66 2.827 -5.553 -17.810 1.00 0.00 O ATOM 1054 CB LYS A 66 3.733 -6.858 -20.598 1.00 0.00 C ATOM 1055 CG LYS A 66 5.222 -6.525 -20.841 1.00 0.00 C ATOM 1056 CD LYS A 66 6.216 -7.684 -20.622 1.00 0.00 C ATOM 1057 CE LYS A 66 5.937 -8.921 -21.489 1.00 0.00 C ATOM 1058 NZ LYS A 66 6.369 -8.735 -22.890 1.00 0.00 N ATOM 0 H LYS A 66 1.418 -7.442 -19.867 1.00 0.00 H new ATOM 0 HA LYS A 66 4.069 -8.272 -19.009 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.410 -7.580 -21.348 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.144 -5.954 -20.752 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.332 -6.166 -21.864 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.502 -5.702 -20.183 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.225 -7.328 -20.830 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.191 -7.976 -19.572 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.452 -9.783 -21.064 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.870 -9.144 -21.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.942 -9.472 -23.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.065 -7.799 -23.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.405 -8.803 -22.946 1.00 0.00 H new ATOM 1072 N VAL A 67 4.893 -6.418 -17.537 1.00 0.00 N ATOM 1073 CA VAL A 67 5.368 -5.513 -16.482 1.00 0.00 C ATOM 1074 C VAL A 67 6.428 -4.562 -17.039 1.00 0.00 C ATOM 1075 O VAL A 67 7.343 -5.004 -17.735 1.00 0.00 O ATOM 1076 CB VAL A 67 5.968 -6.317 -15.307 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.295 -5.400 -14.125 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.030 -7.414 -14.791 1.00 0.00 C ATOM 0 H VAL A 67 5.598 -7.102 -17.811 1.00 0.00 H new ATOM 0 HA VAL A 67 4.517 -4.936 -16.121 1.00 0.00 H new ATOM 0 HB VAL A 67 6.870 -6.780 -15.706 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.716 -5.991 -13.312 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.018 -4.647 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.384 -4.909 -13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.508 -7.943 -13.966 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.100 -6.964 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.814 -8.116 -15.596 1.00 0.00 H new ATOM 1088 N TYR A 68 6.333 -3.272 -16.698 1.00 0.00 N ATOM 1089 CA TYR A 68 7.279 -2.240 -17.124 1.00 0.00 C ATOM 1090 C TYR A 68 7.735 -1.363 -15.938 1.00 0.00 C ATOM 1091 O TYR A 68 7.034 -0.439 -15.514 1.00 0.00 O ATOM 1092 CB TYR A 68 6.640 -1.452 -18.273 1.00 0.00 C ATOM 1093 CG TYR A 68 7.597 -0.593 -19.076 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.439 -1.183 -20.039 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.619 0.799 -18.888 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.298 -0.377 -20.812 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.484 1.609 -19.645 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.321 1.021 -20.618 1.00 0.00 C ATOM 1099 OH TYR A 68 10.141 1.801 -21.373 1.00 0.00 O ATOM 0 H TYR A 68 5.583 -2.912 -16.108 1.00 0.00 H new ATOM 0 HA TYR A 68 8.199 -2.692 -17.495 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.154 -2.156 -18.949 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.859 -0.812 -17.863 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.426 -2.253 -20.185 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.966 1.251 -18.156 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.940 -0.829 -21.554 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.508 2.676 -19.483 1.00 0.00 H new ATOM 0 HH TYR A 68 10.032 2.739 -21.112 1.00 0.00 H new ATOM 1109 N TYR A 69 8.919 -1.672 -15.389 1.00 0.00 N ATOM 1110 CA TYR A 69 9.534 -0.974 -14.251 1.00 0.00 C ATOM 1111 C TYR A 69 10.191 0.345 -14.690 1.00 0.00 C ATOM 1112 O TYR A 69 11.413 0.486 -14.754 1.00 0.00 O ATOM 1113 CB TYR A 69 10.529 -1.908 -13.537 1.00 0.00 C ATOM 1114 CG TYR A 69 9.864 -3.054 -12.802 1.00 0.00 C ATOM 1115 CD1 TYR A 69 8.997 -2.762 -11.732 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.085 -4.394 -13.182 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.298 -3.796 -11.089 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.414 -5.436 -12.509 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.499 -5.134 -11.480 1.00 0.00 C ATOM 1120 OH TYR A 69 7.805 -6.126 -10.869 1.00 0.00 O ATOM 0 H TYR A 69 9.493 -2.440 -15.737 1.00 0.00 H new ATOM 0 HA TYR A 69 8.752 -0.707 -13.540 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.225 -2.313 -14.271 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.117 -1.325 -12.828 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.869 -1.741 -11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.767 -4.622 -13.988 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.605 -3.565 -10.293 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.601 -6.464 -12.782 1.00 0.00 H new ATOM 0 HH TYR A 69 8.012 -6.982 -11.299 1.00 0.00 H new ATOM 1130 N PHE A 70 9.357 1.349 -14.957 1.00 0.00 N ATOM 1131 CA PHE A 70 9.730 2.691 -15.404 1.00 0.00 C ATOM 1132 C PHE A 70 10.163 3.575 -14.219 1.00 0.00 C ATOM 1133 O PHE A 70 9.776 4.736 -14.113 1.00 0.00 O ATOM 1134 CB PHE A 70 8.532 3.243 -16.191 1.00 0.00 C ATOM 1135 CG PHE A 70 8.639 4.592 -16.890 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.864 5.275 -17.060 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.458 5.170 -17.390 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.890 6.526 -17.712 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.483 6.433 -18.002 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.695 7.113 -18.154 1.00 0.00 C ATOM 0 H PHE A 70 8.347 1.242 -14.862 1.00 0.00 H new ATOM 0 HA PHE A 70 10.604 2.673 -16.056 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.274 2.504 -16.949 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.690 3.300 -15.502 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.781 4.839 -16.691 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.523 4.637 -17.302 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.831 7.032 -17.871 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.565 6.880 -18.356 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.711 8.091 -18.612 1.00 0.00 H new ATOM 1150 N GLN A 71 10.984 3.040 -13.308 1.00 0.00 N ATOM 1151 CA GLN A 71 11.432 3.772 -12.120 1.00 0.00 C ATOM 1152 C GLN A 71 12.245 5.030 -12.480 1.00 0.00 C ATOM 1153 O GLN A 71 12.129 6.044 -11.791 1.00 0.00 O ATOM 1154 CB GLN A 71 12.160 2.803 -11.171 1.00 0.00 C ATOM 1155 CG GLN A 71 12.825 3.412 -9.922 1.00 0.00 C ATOM 1156 CD GLN A 71 11.880 4.118 -8.947 1.00 0.00 C ATOM 1157 OE1 GLN A 71 11.500 3.589 -7.914 1.00 0.00 O ATOM 1158 NE2 GLN A 71 11.534 5.360 -9.223 1.00 0.00 N ATOM 0 H GLN A 71 11.354 2.092 -13.374 1.00 0.00 H new ATOM 0 HA GLN A 71 10.565 4.162 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.444 2.051 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.928 2.282 -11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.345 2.618 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.582 4.126 -10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.853 5.798 -10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.947 5.882 -8.573 1.00 0.00 H new ATOM 1167 N GLY A 72 12.946 5.046 -13.621 1.00 0.00 N ATOM 1168 CA GLY A 72 13.469 6.274 -14.232 1.00 0.00 C ATOM 1169 C GLY A 72 12.385 7.072 -14.966 1.00 0.00 C ATOM 1170 O GLY A 72 12.569 7.442 -16.125 1.00 0.00 O ATOM 0 H GLY A 72 13.167 4.202 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.915 6.899 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.264 6.018 -14.932 1.00 0.00 H new ATOM 1174 N GLY A 73 11.261 7.306 -14.285 1.00 0.00 N ATOM 1175 CA GLY A 73 10.037 7.967 -14.748 1.00 0.00 C ATOM 1176 C GLY A 73 9.166 8.485 -13.597 1.00 0.00 C ATOM 1177 O GLY A 73 7.976 8.729 -13.792 1.00 0.00 O ATOM 0 H GLY A 73 11.176 7.013 -13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.304 8.800 -15.398 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.457 7.267 -15.349 1.00 0.00 H new ATOM 1181 N ASN A 74 9.767 8.585 -12.401 1.00 0.00 N ATOM 1182 CA ASN A 74 9.173 8.664 -11.066 1.00 0.00 C ATOM 1183 C ASN A 74 8.130 9.785 -10.880 1.00 0.00 C ATOM 1184 O ASN A 74 7.265 9.671 -10.011 1.00 0.00 O ATOM 1185 CB ASN A 74 10.349 8.811 -10.077 1.00 0.00 C ATOM 1186 CG ASN A 74 10.070 8.341 -8.653 1.00 0.00 C ATOM 1187 OD1 ASN A 74 10.948 7.799 -7.997 1.00 0.00 O ATOM 1188 ND2 ASN A 74 8.880 8.503 -8.118 1.00 0.00 N ATOM 0 H ASN A 74 10.785 8.615 -12.345 1.00 0.00 H new ATOM 0 HA ASN A 74 8.593 7.758 -10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.200 8.252 -10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.645 9.860 -10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.699 8.178 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.137 8.953 -8.653 1.00 0.00 H new ATOM 1195 N ASN A 75 8.211 10.852 -11.676 1.00 0.00 N ATOM 1196 CA ASN A 75 7.201 11.907 -11.784 1.00 0.00 C ATOM 1197 C ASN A 75 6.801 12.149 -13.255 1.00 0.00 C ATOM 1198 O ASN A 75 5.690 12.586 -13.546 1.00 0.00 O ATOM 1199 CB ASN A 75 7.790 13.158 -11.106 1.00 0.00 C ATOM 1200 CG ASN A 75 6.827 14.332 -11.021 1.00 0.00 C ATOM 1201 OD1 ASN A 75 6.143 14.534 -10.026 1.00 0.00 O ATOM 1202 ND2 ASN A 75 6.766 15.162 -12.044 1.00 0.00 N ATOM 0 H ASN A 75 9.012 11.012 -12.287 1.00 0.00 H new ATOM 0 HA ASN A 75 6.275 11.624 -11.284 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.113 12.894 -10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.679 13.470 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.149 15.973 -12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.336 14.993 -12.873 1.00 0.00 H new ATOM 1209 N GLU A 76 7.703 11.840 -14.187 1.00 0.00 N ATOM 1210 CA GLU A 76 7.625 12.050 -15.627 1.00 0.00 C ATOM 1211 C GLU A 76 6.362 11.448 -16.257 1.00 0.00 C ATOM 1212 O GLU A 76 5.696 12.153 -17.019 1.00 0.00 O ATOM 1213 CB GLU A 76 8.901 11.499 -16.292 1.00 0.00 C ATOM 1214 CG GLU A 76 10.201 12.152 -15.772 1.00 0.00 C ATOM 1215 CD GLU A 76 10.862 11.361 -14.632 1.00 0.00 C ATOM 1216 OE1 GLU A 76 10.268 11.314 -13.528 1.00 0.00 O ATOM 1217 OE2 GLU A 76 11.930 10.761 -14.892 1.00 0.00 O ATOM 0 H GLU A 76 8.584 11.397 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 76 7.555 13.124 -15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.952 10.423 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.834 11.651 -17.369 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.907 12.247 -16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.979 13.161 -15.424 1.00 0.00 H new ATOM 1224 N LEU A 77 5.988 10.203 -15.909 1.00 0.00 N ATOM 1225 CA LEU A 77 4.755 9.574 -16.413 1.00 0.00 C ATOM 1226 C LEU A 77 3.482 10.320 -15.976 1.00 0.00 C ATOM 1227 O LEU A 77 2.460 10.232 -16.656 1.00 0.00 O ATOM 1228 CB LEU A 77 4.716 8.087 -16.008 1.00 0.00 C ATOM 1229 CG LEU A 77 3.558 7.265 -16.626 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.544 7.231 -18.161 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.645 5.817 -16.148 1.00 0.00 C ATOM 0 H LEU A 77 6.526 9.610 -15.277 1.00 0.00 H new ATOM 0 HA LEU A 77 4.774 9.639 -17.501 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.661 7.624 -16.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.645 8.025 -14.922 1.00 0.00 H new ATOM 0 HG LEU A 77 2.648 7.767 -16.297 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.700 6.633 -18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.450 8.246 -18.547 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.472 6.789 -18.524 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.829 5.240 -16.584 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.598 5.388 -16.457 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.570 5.788 -15.061 1.00 0.00 H new ATOM 1243 N GLY A 78 3.538 11.132 -14.913 1.00 0.00 N ATOM 1244 CA GLY A 78 2.468 12.057 -14.540 1.00 0.00 C ATOM 1245 C GLY A 78 2.132 13.090 -15.624 1.00 0.00 C ATOM 1246 O GLY A 78 1.056 13.680 -15.576 1.00 0.00 O ATOM 0 H GLY A 78 4.339 11.163 -14.282 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.570 11.484 -14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.756 12.582 -13.629 1.00 0.00 H new ATOM 1250 N THR A 79 3.008 13.270 -16.623 1.00 0.00 N ATOM 1251 CA THR A 79 2.724 14.022 -17.854 1.00 0.00 C ATOM 1252 C THR A 79 1.572 13.365 -18.623 1.00 0.00 C ATOM 1253 O THR A 79 0.619 14.046 -19.002 1.00 0.00 O ATOM 1254 CB THR A 79 3.966 14.130 -18.759 1.00 0.00 C ATOM 1255 OG1 THR A 79 5.124 14.428 -18.014 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.804 15.220 -19.819 1.00 0.00 C ATOM 0 H THR A 79 3.954 12.889 -16.597 1.00 0.00 H new ATOM 0 HA THR A 79 2.436 15.032 -17.562 1.00 0.00 H new ATOM 0 HB THR A 79 4.069 13.158 -19.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.655 13.613 -17.895 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.701 15.264 -20.436 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.943 14.992 -20.447 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.652 16.183 -19.331 1.00 0.00 H new ATOM 1264 N ALA A 80 1.609 12.038 -18.807 1.00 0.00 N ATOM 1265 CA ALA A 80 0.481 11.252 -19.291 1.00 0.00 C ATOM 1266 C ALA A 80 -0.647 11.209 -18.250 1.00 0.00 C ATOM 1267 O ALA A 80 -1.765 11.624 -18.553 1.00 0.00 O ATOM 1268 CB ALA A 80 0.962 9.840 -19.657 1.00 0.00 C ATOM 0 H ALA A 80 2.440 11.478 -18.619 1.00 0.00 H new ATOM 0 HA ALA A 80 0.073 11.724 -20.184 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.119 9.251 -20.019 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.721 9.905 -20.437 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.387 9.361 -18.775 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.364 10.728 -17.031 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.394 10.302 -16.075 1.00 0.00 C ATOM 1276 C VAL A 81 -1.758 11.387 -15.044 1.00 0.00 C ATOM 1277 O VAL A 81 -1.969 12.543 -15.415 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.097 8.889 -15.514 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.935 7.882 -16.658 1.00 0.00 C ATOM 1280 CG2 VAL A 81 0.137 8.748 -14.618 1.00 0.00 C ATOM 0 H VAL A 81 0.588 10.624 -16.680 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.332 10.185 -16.618 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.964 8.693 -14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.727 6.894 -16.247 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.854 7.845 -17.243 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.109 8.189 -17.299 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.233 7.712 -14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.027 9.037 -15.177 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.030 9.395 -13.747 1.00 0.00 H new ATOM 1290 N GLY A 82 -1.949 11.016 -13.775 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.576 11.813 -12.724 1.00 0.00 C ATOM 1292 C GLY A 82 -1.661 12.882 -12.134 1.00 0.00 C ATOM 1293 O GLY A 82 -0.985 12.634 -11.135 1.00 0.00 O ATOM 0 H GLY A 82 -1.653 10.100 -13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.467 12.293 -13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.906 11.149 -11.925 1.00 0.00 H new ATOM 1297 N LYS A 83 -1.697 14.085 -12.724 1.00 0.00 N ATOM 1298 CA LYS A 83 -0.957 15.302 -12.327 1.00 0.00 C ATOM 1299 C LYS A 83 -0.986 15.610 -10.821 1.00 0.00 C ATOM 1300 O LYS A 83 -0.017 16.155 -10.295 1.00 0.00 O ATOM 1301 CB LYS A 83 -1.445 16.543 -13.111 1.00 0.00 C ATOM 1302 CG LYS A 83 -0.961 16.604 -14.570 1.00 0.00 C ATOM 1303 CD LYS A 83 -1.891 15.890 -15.560 1.00 0.00 C ATOM 1304 CE LYS A 83 -1.122 15.556 -16.841 1.00 0.00 C ATOM 1305 NZ LYS A 83 -1.658 14.348 -17.505 1.00 0.00 N ATOM 0 H LYS A 83 -2.280 14.250 -13.545 1.00 0.00 H new ATOM 0 HA LYS A 83 0.079 15.079 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.535 16.558 -13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.109 17.441 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.862 17.648 -14.867 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.032 16.159 -14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.284 14.977 -15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.746 16.524 -15.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.174 16.401 -17.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.069 15.403 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.904 13.891 -18.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.011 13.685 -16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.436 14.617 -18.140 1.00 0.00 H new ATOM 1319 N LEU A 84 -2.051 15.227 -10.108 1.00 0.00 N ATOM 1320 CA LEU A 84 -2.141 15.319 -8.650 1.00 0.00 C ATOM 1321 C LEU A 84 -0.982 14.585 -7.950 1.00 0.00 C ATOM 1322 O LEU A 84 -0.325 15.160 -7.082 1.00 0.00 O ATOM 1323 CB LEU A 84 -3.520 14.786 -8.216 1.00 0.00 C ATOM 1324 CG LEU A 84 -3.762 14.770 -6.694 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -3.700 16.170 -6.077 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -5.141 14.170 -6.405 1.00 0.00 C ATOM 0 H LEU A 84 -2.890 14.837 -10.538 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.046 16.361 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.292 15.395 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.638 13.772 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.970 14.169 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.877 16.103 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.716 16.603 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.463 16.802 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.314 14.158 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.909 14.773 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.183 13.151 -6.791 1.00 0.00 H new ATOM 1338 N PHE A 85 -0.700 13.338 -8.349 1.00 0.00 N ATOM 1339 CA PHE A 85 0.224 12.426 -7.662 1.00 0.00 C ATOM 1340 C PHE A 85 1.501 12.120 -8.444 1.00 0.00 C ATOM 1341 O PHE A 85 2.565 12.008 -7.838 1.00 0.00 O ATOM 1342 CB PHE A 85 -0.514 11.136 -7.281 1.00 0.00 C ATOM 1343 CG PHE A 85 -1.476 10.542 -8.302 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -1.039 9.615 -9.272 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -2.844 10.868 -8.222 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -1.970 9.009 -10.135 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -3.771 10.268 -9.088 1.00 0.00 C ATOM 1348 CZ PHE A 85 -3.336 9.325 -10.033 1.00 0.00 C ATOM 0 H PHE A 85 -1.120 12.924 -9.181 1.00 0.00 H new ATOM 0 HA PHE A 85 0.561 12.942 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.234 10.379 -7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.073 11.328 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.010 9.371 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.182 11.585 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.635 8.300 -10.877 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.817 10.531 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.051 8.842 -10.682 1.00 0.00 H new ATOM 1358 N ARG A 86 1.401 12.010 -9.772 1.00 0.00 N ATOM 1359 CA ARG A 86 2.468 11.799 -10.774 1.00 0.00 C ATOM 1360 C ARG A 86 3.306 10.516 -10.647 1.00 0.00 C ATOM 1361 O ARG A 86 3.793 10.046 -11.673 1.00 0.00 O ATOM 1362 CB ARG A 86 3.387 13.032 -10.836 1.00 0.00 C ATOM 1363 CG ARG A 86 2.682 14.299 -11.352 1.00 0.00 C ATOM 1364 CD ARG A 86 3.061 15.575 -10.591 1.00 0.00 C ATOM 1365 NE ARG A 86 2.492 15.581 -9.233 1.00 0.00 N ATOM 1366 CZ ARG A 86 3.094 15.319 -8.078 1.00 0.00 C ATOM 1367 NH1 ARG A 86 4.373 15.035 -7.986 1.00 0.00 N ATOM 1368 NH2 ARG A 86 2.399 15.328 -6.965 1.00 0.00 N ATOM 0 H ARG A 86 0.488 12.071 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 86 1.923 11.657 -11.707 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.786 13.228 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.236 12.810 -11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.922 14.432 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.604 14.155 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.146 15.656 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.705 16.447 -11.140 1.00 0.00 H new ATOM 0 HE ARG A 86 1.502 15.818 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.951 15.008 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.788 14.841 -7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.401 15.536 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.857 15.127 -6.076 1.00 0.00 H new ATOM 1382 N VAL A 87 3.427 9.926 -9.453 1.00 0.00 N ATOM 1383 CA VAL A 87 3.994 8.592 -9.198 1.00 0.00 C ATOM 1384 C VAL A 87 3.242 7.531 -10.008 1.00 0.00 C ATOM 1385 O VAL A 87 2.118 7.139 -9.693 1.00 0.00 O ATOM 1386 CB VAL A 87 4.064 8.250 -7.693 1.00 0.00 C ATOM 1387 CG1 VAL A 87 5.184 9.060 -7.026 1.00 0.00 C ATOM 1388 CG2 VAL A 87 2.770 8.489 -6.899 1.00 0.00 C ATOM 0 H VAL A 87 3.119 10.385 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 87 5.030 8.601 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 87 4.251 7.176 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.228 8.814 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.138 8.817 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.983 10.125 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.928 8.217 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.494 9.541 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.969 7.878 -7.316 1.00 0.00 H new ATOM 1398 N GLY A 88 3.843 7.116 -11.123 1.00 0.00 N ATOM 1399 CA GLY A 88 3.139 6.464 -12.217 1.00 0.00 C ATOM 1400 C GLY A 88 3.051 4.953 -12.047 1.00 0.00 C ATOM 1401 O GLY A 88 3.590 4.213 -12.869 1.00 0.00 O ATOM 0 H GLY A 88 4.843 7.226 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.132 6.876 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.646 6.690 -13.155 1.00 0.00 H new ATOM 1405 N VAL A 89 2.346 4.490 -11.011 1.00 0.00 N ATOM 1406 CA VAL A 89 1.856 3.108 -10.969 1.00 0.00 C ATOM 1407 C VAL A 89 0.515 3.039 -11.712 1.00 0.00 C ATOM 1408 O VAL A 89 -0.495 3.610 -11.284 1.00 0.00 O ATOM 1409 CB VAL A 89 1.868 2.518 -9.542 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.674 2.882 -8.656 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.977 0.992 -9.614 1.00 0.00 C ATOM 0 H VAL A 89 2.102 5.049 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 89 2.541 2.445 -11.498 1.00 0.00 H new ATOM 0 HB VAL A 89 2.736 2.974 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.790 2.413 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.627 3.964 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.246 2.528 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.985 0.580 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.124 0.592 -10.163 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.899 0.717 -10.126 1.00 0.00 H new ATOM 1421 N VAL A 90 0.549 2.414 -12.891 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.521 2.423 -13.897 1.00 0.00 C ATOM 1423 C VAL A 90 -0.796 0.990 -14.338 1.00 0.00 C ATOM 1424 O VAL A 90 0.073 0.113 -14.273 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.132 3.281 -15.131 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.292 3.498 -16.119 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.450 4.647 -14.744 1.00 0.00 C ATOM 0 H VAL A 90 1.356 1.864 -13.185 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.413 2.863 -13.451 1.00 0.00 H new ATOM 0 HB VAL A 90 0.637 2.692 -15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.948 4.106 -16.956 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.640 2.534 -16.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.111 4.009 -15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.704 5.203 -15.646 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.287 5.207 -14.168 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.347 4.503 -14.142 1.00 0.00 H new ATOM 1437 N SER A 91 -1.990 0.714 -14.852 1.00 0.00 N ATOM 1438 CA SER A 91 -2.185 -0.454 -15.706 1.00 0.00 C ATOM 1439 C SER A 91 -3.207 -0.162 -16.801 1.00 0.00 C ATOM 1440 O SER A 91 -4.043 0.730 -16.650 1.00 0.00 O ATOM 1441 CB SER A 91 -2.566 -1.666 -14.850 1.00 0.00 C ATOM 1442 OG SER A 91 -1.702 -1.774 -13.729 1.00 0.00 O ATOM 0 H SER A 91 -2.828 1.274 -14.696 1.00 0.00 H new ATOM 0 HA SER A 91 -1.250 -0.692 -16.214 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.598 -1.571 -14.513 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.509 -2.575 -15.450 1.00 0.00 H new ATOM 0 HG SER A 91 -0.817 -1.425 -13.964 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.124 -0.912 -17.902 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.958 -0.781 -19.096 1.00 0.00 C ATOM 1450 C ILE A 92 -4.660 -2.119 -19.364 1.00 0.00 C ATOM 1451 O ILE A 92 -4.041 -3.198 -19.351 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.139 -0.300 -20.317 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.225 0.924 -20.045 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.081 0.002 -21.499 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.942 2.233 -19.713 1.00 0.00 C ATOM 0 H ILE A 92 -2.440 -1.663 -17.988 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.714 -0.015 -18.922 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.466 -1.123 -20.558 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.558 0.678 -19.219 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.599 1.088 -20.922 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.495 0.340 -22.354 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.628 -0.901 -21.768 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.787 0.781 -21.212 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.205 3.018 -19.542 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.587 2.516 -20.545 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.545 2.100 -18.815 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.973 -1.999 -19.593 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.940 -3.076 -19.755 1.00 0.00 C ATOM 1469 C LEU A 93 -7.403 -3.167 -21.212 1.00 0.00 C ATOM 1470 O LEU A 93 -7.258 -4.224 -21.826 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.139 -2.863 -18.806 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.818 -2.767 -17.297 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.446 -1.352 -16.825 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.056 -3.192 -16.502 1.00 0.00 C ATOM 0 H LEU A 93 -6.412 -1.082 -19.674 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.461 -4.020 -19.495 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.651 -1.948 -19.104 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.841 -3.684 -18.954 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.956 -3.413 -17.130 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.235 -1.369 -15.756 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.563 -1.009 -17.364 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.276 -0.673 -17.020 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.843 -3.129 -15.435 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.889 -2.532 -16.745 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.319 -4.218 -16.759 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.914 -2.056 -21.766 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.403 -1.969 -23.147 1.00 0.00 C ATOM 1488 C GLU A 94 -7.612 -0.906 -23.917 1.00 0.00 C ATOM 1489 O GLU A 94 -7.852 0.293 -23.758 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.919 -1.679 -23.233 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.850 -2.426 -22.266 1.00 0.00 C ATOM 1492 CD GLU A 94 -10.510 -3.902 -22.093 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.205 -4.590 -23.096 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -10.488 -4.359 -20.927 1.00 0.00 O ATOM 0 H GLU A 94 -7.999 -1.177 -21.255 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.247 -2.947 -23.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.064 -0.610 -23.078 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.245 -1.901 -24.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.812 -1.938 -21.292 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.875 -2.340 -22.626 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.665 -1.322 -24.765 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.931 -0.422 -25.656 1.00 0.00 C ATOM 1503 C ALA A 95 -6.765 0.002 -26.884 1.00 0.00 C ATOM 1504 O ALA A 95 -6.360 -0.176 -28.030 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.599 -1.058 -26.039 1.00 0.00 C ATOM 0 H ALA A 95 -6.386 -2.299 -24.852 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.725 0.505 -25.120 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.053 -0.387 -26.702 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.010 -1.238 -25.140 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.781 -2.004 -26.549 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.942 0.586 -26.642 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.926 0.958 -27.665 1.00 0.00 C ATOM 1513 C GLY A 96 -8.551 2.155 -28.551 1.00 0.00 C ATOM 1514 O GLY A 96 -9.458 2.812 -29.052 1.00 0.00 O ATOM 0 H GLY A 96 -8.247 0.821 -25.698 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.098 0.094 -28.308 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.871 1.179 -27.169 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.259 2.470 -28.717 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.801 3.686 -29.400 1.00 0.00 C ATOM 1520 C ASP A 97 -5.490 3.425 -30.176 1.00 0.00 C ATOM 1521 O ASP A 97 -5.530 3.230 -31.389 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.701 4.818 -28.357 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.889 6.211 -28.953 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -6.203 6.567 -29.939 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.759 6.960 -28.435 1.00 0.00 O ATOM 0 H ASP A 97 -6.497 1.883 -28.378 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.516 3.999 -30.161 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.453 4.657 -27.584 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.727 4.768 -27.870 1.00 0.00 H new ATOM 1530 N SER A 98 -4.336 3.364 -29.490 1.00 0.00 N ATOM 1531 CA SER A 98 -3.068 2.827 -30.014 1.00 0.00 C ATOM 1532 C SER A 98 -2.714 1.474 -29.373 1.00 0.00 C ATOM 1533 O SER A 98 -3.235 1.122 -28.324 1.00 0.00 O ATOM 1534 CB SER A 98 -1.959 3.866 -29.843 1.00 0.00 C ATOM 1535 OG SER A 98 -0.783 3.473 -30.519 1.00 0.00 O ATOM 0 H SER A 98 -4.257 3.696 -28.529 1.00 0.00 H new ATOM 0 HA SER A 98 -3.182 2.629 -31.080 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.297 4.829 -30.226 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.744 4.002 -28.783 1.00 0.00 H new ATOM 0 HG SER A 98 -0.293 4.269 -30.813 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.805 0.707 -29.978 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.669 -0.746 -29.819 1.00 0.00 C ATOM 1543 C ASP A 99 -0.855 -1.232 -28.592 1.00 0.00 C ATOM 1544 O ASP A 99 -0.411 -2.377 -28.589 1.00 0.00 O ATOM 1545 CB ASP A 99 -1.088 -1.281 -31.144 1.00 0.00 C ATOM 1546 CG ASP A 99 0.322 -0.753 -31.398 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.445 0.448 -31.727 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.306 -1.481 -31.130 1.00 0.00 O ATOM 0 H ASP A 99 -1.114 1.096 -30.619 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.659 -1.149 -29.604 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.069 -2.371 -31.119 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.739 -0.992 -31.969 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.627 -0.403 -27.559 1.00 0.00 N ATOM 1554 CA ILE A 100 0.442 -0.586 -26.548 1.00 0.00 C ATOM 1555 C ILE A 100 0.614 -2.024 -26.001 1.00 0.00 C ATOM 1556 O ILE A 100 1.715 -2.576 -26.049 1.00 0.00 O ATOM 1557 CB ILE A 100 0.338 0.491 -25.435 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.701 0.678 -24.737 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.763 0.193 -24.398 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.785 1.946 -23.874 1.00 0.00 C ATOM 0 H ILE A 100 -1.190 0.432 -27.395 1.00 0.00 H new ATOM 0 HA ILE A 100 1.378 -0.432 -27.085 1.00 0.00 H new ATOM 0 HB ILE A 100 0.052 1.419 -25.930 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.900 -0.191 -24.110 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.485 0.712 -25.494 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.781 0.985 -23.649 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.730 0.144 -24.898 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.557 -0.761 -23.913 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.772 2.009 -23.416 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.618 2.823 -24.499 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.025 1.906 -23.094 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.465 -2.658 -25.521 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.469 -4.044 -25.021 1.00 0.00 C ATOM 1574 C LEU A 101 -0.197 -5.139 -26.067 1.00 0.00 C ATOM 1575 O LEU A 101 0.129 -6.252 -25.664 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.694 -4.388 -24.148 1.00 0.00 C ATOM 1577 CG LEU A 101 -3.018 -3.669 -24.452 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.236 -4.561 -24.698 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.298 -2.775 -23.247 1.00 0.00 C ATOM 0 H LEU A 101 -1.381 -2.213 -25.467 1.00 0.00 H new ATOM 0 HA LEU A 101 0.408 -4.053 -24.374 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.870 -5.461 -24.227 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.433 -4.183 -23.110 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.883 -3.138 -25.395 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.108 -3.939 -24.901 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.045 -5.209 -25.553 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.424 -5.172 -23.815 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.231 -2.235 -23.404 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.380 -3.389 -22.350 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.482 -2.062 -23.125 1.00 0.00 H new ATOM 1591 N THR A 102 -0.274 -4.848 -27.372 1.00 0.00 N ATOM 1592 CA THR A 102 0.232 -5.743 -28.425 1.00 0.00 C ATOM 1593 C THR A 102 1.536 -5.265 -29.075 1.00 0.00 C ATOM 1594 O THR A 102 2.144 -6.068 -29.783 1.00 0.00 O ATOM 1595 CB THR A 102 -0.838 -6.131 -29.457 1.00 0.00 C ATOM 1596 OG1 THR A 102 -0.309 -7.149 -30.275 1.00 0.00 O ATOM 1597 CG2 THR A 102 -1.295 -4.994 -30.365 1.00 0.00 C ATOM 0 H THR A 102 -0.688 -3.987 -27.729 1.00 0.00 H new ATOM 0 HA THR A 102 0.494 -6.662 -27.901 1.00 0.00 H new ATOM 0 HB THR A 102 -1.712 -6.443 -28.886 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.670 -7.112 -30.251 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.050 -5.364 -31.059 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.719 -4.193 -29.760 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.443 -4.612 -30.926 1.00 0.00 H new ATOM 1605 N THR A 103 2.013 -4.039 -28.813 1.00 0.00 N ATOM 1606 CA THR A 103 3.405 -3.657 -29.109 1.00 0.00 C ATOM 1607 C THR A 103 4.380 -4.348 -28.152 1.00 0.00 C ATOM 1608 O THR A 103 5.453 -4.782 -28.565 1.00 0.00 O ATOM 1609 CB THR A 103 3.670 -2.142 -28.984 1.00 0.00 C ATOM 1610 OG1 THR A 103 2.521 -1.335 -29.081 1.00 0.00 O ATOM 1611 CG2 THR A 103 4.656 -1.665 -30.049 1.00 0.00 C ATOM 0 H THR A 103 1.456 -3.293 -28.396 1.00 0.00 H new ATOM 0 HA THR A 103 3.560 -3.966 -30.143 1.00 0.00 H new ATOM 0 HB THR A 103 4.077 -2.028 -27.979 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.920 -1.702 -29.762 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.823 -0.594 -29.936 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.602 -2.194 -29.932 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.247 -1.866 -31.039 1.00 0.00 H new ATOM 1619 N LEU A 104 4.022 -4.409 -26.863 1.00 0.00 N ATOM 1620 CA LEU A 104 4.904 -4.820 -25.763 1.00 0.00 C ATOM 1621 C LEU A 104 4.760 -6.288 -25.328 1.00 0.00 C ATOM 1622 O LEU A 104 5.463 -6.691 -24.402 1.00 0.00 O ATOM 1623 CB LEU A 104 4.564 -3.961 -24.534 1.00 0.00 C ATOM 1624 CG LEU A 104 4.751 -2.445 -24.677 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.154 -1.830 -23.415 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.222 -2.042 -24.801 1.00 0.00 C ATOM 0 H LEU A 104 3.083 -4.167 -26.547 1.00 0.00 H new ATOM 0 HA LEU A 104 5.921 -4.691 -26.133 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.525 -4.151 -24.263 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.178 -4.302 -23.701 1.00 0.00 H new ATOM 0 HG LEU A 104 4.265 -2.096 -25.588 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.256 -0.746 -23.455 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.098 -2.093 -23.347 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.680 -2.212 -22.540 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.295 -0.959 -24.900 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.763 -2.363 -23.911 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.656 -2.517 -25.681 1.00 0.00 H new ATOM 1638 N ALA A 105 3.809 -7.028 -25.915 1.00 0.00 N ATOM 1639 CA ALA A 105 3.028 -8.086 -25.261 1.00 0.00 C ATOM 1640 C ALA A 105 3.814 -9.087 -24.394 1.00 0.00 C ATOM 1641 O ALA A 105 3.432 -9.240 -23.216 1.00 0.00 O ATOM 1642 CB ALA A 105 2.205 -8.827 -26.322 1.00 0.00 C ATOM 1643 OXT ALA A 105 4.834 -9.651 -24.855 1.00 0.00 O ATOM 0 H ALA A 105 3.554 -6.901 -26.894 1.00 0.00 H new ATOM 0 HA ALA A 105 2.394 -7.568 -24.541 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.622 -9.615 -25.845 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.532 -8.126 -26.816 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.875 -9.268 -27.060 1.00 0.00 H new TER 1649 ALA A 105