USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 hydrogens (34 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: C 35 CYS SG : rot 84:sc= -0.849 USER MOD Set 1.2: C 69 SER OG : rot 151:sc= -0.0947 USER MOD Set 1.3: C 71 THR OG1 : rot 180:sc= 0.00123 USER MOD Set 2.1: C 13 THR OG1 : rot 180:sc= 0.0601 USER MOD Set 2.2: C 16 GLN : amide:sc= -6.32! C(o=-6.3!,f=-14!) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -165:sc= -0.0181 (180deg=-0.266) USER MOD Single : C 5 TYR OH : rot 180:sc= -0.161 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 155:sc= -0.0403 (180deg=-0.33) USER MOD Single : C 18 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6.4!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.299 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -123:sc= -5.87! (180deg=-9.55!) USER MOD Single : C 47 MET CE :methyl -160:sc= -2.97 (180deg=-4.2) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= 0.00853 X(o=0.0085,f=-0.02) USER MOD Single : C 53 THR OG1 : rot 163:sc= 0.748 USER MOD Single : C 58 GLN : amide:sc= -2.23 X(o=-2.2,f=-2!) USER MOD Single : C 60 MET CE :methyl 168:sc= -3.65! (180deg=-3.99!) USER MOD Single : C 80 MET CE :methyl -120:sc= -9.21! (180deg=-12.4!) USER MOD Single : C 81 MET CE :methyl -147:sc= -4.03! (180deg=-6.48!) USER MOD Single : C 84 CYS SG : rot 42:sc= -6.57! USER MOD Single : C 85 MET CE :methyl 169:sc= -2.37! (180deg=-2.61!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot -78:sc= 0.0612 USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -107:sc= -0.0773 (180deg=-0.495) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : I 163 LYS NZ :NH3+ 153:sc= -0.0958 (180deg=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 82.873 -19.219 -6.305 1.00 0.00 N ATOM 2 CA MET C 1 83.949 -18.324 -6.815 1.00 0.00 C ATOM 3 C MET C 1 84.232 -17.234 -5.787 1.00 0.00 C ATOM 4 O MET C 1 85.375 -16.817 -5.601 1.00 0.00 O ATOM 5 CB MET C 1 83.500 -17.684 -8.130 1.00 0.00 C ATOM 6 CG MET C 1 84.315 -18.267 -9.286 1.00 0.00 C ATOM 7 SD MET C 1 83.933 -17.366 -10.809 1.00 0.00 S ATOM 8 CE MET C 1 85.438 -17.803 -11.712 1.00 0.00 C ATOM 0 H1 MET C 1 82.852 -20.093 -6.869 1.00 0.00 H new ATOM 0 H2 MET C 1 83.060 -19.454 -5.309 1.00 0.00 H new ATOM 0 H3 MET C 1 81.955 -18.736 -6.381 1.00 0.00 H new ATOM 0 HA MET C 1 84.855 -18.905 -6.986 1.00 0.00 H new ATOM 0 HB2 MET C 1 82.438 -17.867 -8.292 1.00 0.00 H new ATOM 0 HB3 MET C 1 83.634 -16.603 -8.085 1.00 0.00 H new ATOM 0 HG2 MET C 1 85.380 -18.196 -9.066 1.00 0.00 H new ATOM 0 HG3 MET C 1 84.085 -19.325 -9.410 1.00 0.00 H new ATOM 0 HE1 MET C 1 85.415 -17.344 -12.701 1.00 0.00 H new ATOM 0 HE2 MET C 1 86.309 -17.442 -11.164 1.00 0.00 H new ATOM 0 HE3 MET C 1 85.498 -18.886 -11.816 1.00 0.00 H new ATOM 20 N ASP C 2 83.176 -16.779 -5.118 1.00 0.00 N ATOM 21 CA ASP C 2 83.321 -15.737 -4.106 1.00 0.00 C ATOM 22 C ASP C 2 83.230 -16.336 -2.704 1.00 0.00 C ATOM 23 O ASP C 2 83.140 -15.615 -1.710 1.00 0.00 O ATOM 24 CB ASP C 2 82.229 -14.678 -4.267 1.00 0.00 C ATOM 25 CG ASP C 2 82.600 -13.435 -3.465 1.00 0.00 C ATOM 26 OD1 ASP C 2 83.657 -12.882 -3.722 1.00 0.00 O ATOM 27 OD2 ASP C 2 81.822 -13.055 -2.605 1.00 0.00 O ATOM 0 H ASP C 2 82.221 -17.111 -5.256 1.00 0.00 H new ATOM 0 HA ASP C 2 84.299 -15.274 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP C 2 82.109 -14.422 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP C 2 81.272 -15.072 -3.924 1.00 0.00 H new ATOM 32 N ASP C 3 83.255 -17.665 -2.635 1.00 0.00 N ATOM 33 CA ASP C 3 83.176 -18.353 -1.349 1.00 0.00 C ATOM 34 C ASP C 3 84.467 -18.156 -0.560 1.00 0.00 C ATOM 35 O ASP C 3 84.445 -17.919 0.647 1.00 0.00 O ATOM 36 CB ASP C 3 82.942 -19.852 -1.556 1.00 0.00 C ATOM 37 CG ASP C 3 81.556 -20.073 -2.150 1.00 0.00 C ATOM 38 OD1 ASP C 3 81.352 -19.685 -3.289 1.00 0.00 O ATOM 39 OD2 ASP C 3 80.717 -20.627 -1.458 1.00 0.00 O ATOM 0 H ASP C 3 83.328 -18.281 -3.445 1.00 0.00 H new ATOM 0 HA ASP C 3 82.340 -17.930 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP C 3 83.703 -20.261 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP C 3 83.030 -20.379 -0.606 1.00 0.00 H new ATOM 44 N ILE C 4 85.595 -18.258 -1.259 1.00 0.00 N ATOM 45 CA ILE C 4 86.897 -18.091 -0.619 1.00 0.00 C ATOM 46 C ILE C 4 86.922 -16.820 0.225 1.00 0.00 C ATOM 47 O ILE C 4 87.681 -16.713 1.188 1.00 0.00 O ATOM 48 CB ILE C 4 88.008 -18.009 -1.668 1.00 0.00 C ATOM 49 CG1 ILE C 4 87.890 -16.687 -2.434 1.00 0.00 C ATOM 50 CG2 ILE C 4 87.887 -19.182 -2.645 1.00 0.00 C ATOM 51 CD1 ILE C 4 86.636 -16.707 -3.311 1.00 0.00 C ATOM 0 H ILE C 4 85.634 -18.454 -2.259 1.00 0.00 H new ATOM 0 HA ILE C 4 87.064 -18.957 0.021 1.00 0.00 H new ATOM 0 HB ILE C 4 88.977 -18.056 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE C 4 87.842 -15.853 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE C 4 88.775 -16.534 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE C 4 88.680 -19.119 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE C 4 87.976 -20.121 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE C 4 86.918 -19.142 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE C 4 86.556 -15.765 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE C 4 86.702 -17.531 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE C 4 85.755 -16.840 -2.683 1.00 0.00 H new ATOM 63 N TYR C 5 86.086 -15.855 -0.150 1.00 0.00 N ATOM 64 CA TYR C 5 86.025 -14.590 0.578 1.00 0.00 C ATOM 65 C TYR C 5 85.011 -14.672 1.715 1.00 0.00 C ATOM 66 O TYR C 5 85.172 -14.033 2.754 1.00 0.00 O ATOM 67 CB TYR C 5 85.628 -13.448 -0.360 1.00 0.00 C ATOM 68 CG TYR C 5 86.707 -13.248 -1.398 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.811 -12.436 -1.113 1.00 0.00 C ATOM 70 CD2 TYR C 5 86.603 -13.875 -2.645 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.812 -12.251 -2.075 1.00 0.00 C ATOM 72 CE2 TYR C 5 87.603 -13.691 -3.607 1.00 0.00 C ATOM 73 CZ TYR C 5 88.707 -12.879 -3.322 1.00 0.00 C ATOM 74 OH TYR C 5 89.693 -12.696 -4.271 1.00 0.00 O ATOM 0 H TYR C 5 85.449 -15.922 -0.944 1.00 0.00 H new ATOM 0 HA TYR C 5 87.016 -14.395 0.989 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.679 -13.676 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.482 -12.530 0.209 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.891 -11.952 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR C 5 85.751 -14.501 -2.865 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.664 -11.625 -1.855 1.00 0.00 H new ATOM 0 HE2 TYR C 5 87.523 -14.175 -4.569 1.00 0.00 H new ATOM 0 HH TYR C 5 89.467 -13.202 -5.079 1.00 0.00 H new ATOM 84 N LYS C 6 83.963 -15.464 1.504 1.00 0.00 N ATOM 85 CA LYS C 6 82.920 -15.621 2.518 1.00 0.00 C ATOM 86 C LYS C 6 83.527 -16.021 3.859 1.00 0.00 C ATOM 87 O LYS C 6 82.910 -15.851 4.911 1.00 0.00 O ATOM 88 CB LYS C 6 81.913 -16.689 2.088 1.00 0.00 C ATOM 89 CG LYS C 6 81.181 -16.223 0.829 1.00 0.00 C ATOM 90 CD LYS C 6 79.957 -15.397 1.228 1.00 0.00 C ATOM 91 CE LYS C 6 78.682 -16.168 0.877 1.00 0.00 C ATOM 92 NZ LYS C 6 77.738 -15.265 0.160 1.00 0.00 N ATOM 0 H LYS C 6 83.812 -16.002 0.651 1.00 0.00 H new ATOM 0 HA LYS C 6 82.412 -14.663 2.625 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.426 -17.631 1.895 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.198 -16.874 2.890 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.848 -15.627 0.207 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.874 -17.083 0.234 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.982 -15.183 2.296 1.00 0.00 H new ATOM 0 HD3 LYS C 6 79.968 -14.438 0.711 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.924 -17.028 0.253 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.216 -16.553 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 76.871 -15.788 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 77.498 -14.458 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 78.185 -14.918 -0.713 1.00 0.00 H new ATOM 106 N ALA C 7 84.746 -16.549 3.814 1.00 0.00 N ATOM 107 CA ALA C 7 85.431 -16.962 5.036 1.00 0.00 C ATOM 108 C ALA C 7 86.026 -15.746 5.738 1.00 0.00 C ATOM 109 O ALA C 7 85.774 -15.509 6.919 1.00 0.00 O ATOM 110 CB ALA C 7 86.550 -17.953 4.716 1.00 0.00 C ATOM 0 H ALA C 7 85.276 -16.700 2.956 1.00 0.00 H new ATOM 0 HA ALA C 7 84.703 -17.443 5.689 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.049 -18.249 5.639 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.128 -18.834 4.233 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.272 -17.483 4.048 1.00 0.00 H new ATOM 116 N ALA C 8 86.813 -14.973 4.993 1.00 0.00 N ATOM 117 CA ALA C 8 87.432 -13.773 5.550 1.00 0.00 C ATOM 118 C ALA C 8 86.353 -12.829 6.070 1.00 0.00 C ATOM 119 O ALA C 8 86.394 -12.384 7.217 1.00 0.00 O ATOM 120 CB ALA C 8 88.260 -13.052 4.485 1.00 0.00 C ATOM 0 H ALA C 8 87.035 -15.153 4.014 1.00 0.00 H new ATOM 0 HA ALA C 8 88.087 -14.072 6.368 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.713 -12.161 4.918 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.043 -13.717 4.121 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.614 -12.764 3.655 1.00 0.00 H new ATOM 126 N VAL C 9 85.378 -12.543 5.210 1.00 0.00 N ATOM 127 CA VAL C 9 84.275 -11.664 5.586 1.00 0.00 C ATOM 128 C VAL C 9 83.640 -12.159 6.878 1.00 0.00 C ATOM 129 O VAL C 9 83.139 -11.379 7.688 1.00 0.00 O ATOM 130 CB VAL C 9 83.210 -11.653 4.490 1.00 0.00 C ATOM 131 CG1 VAL C 9 83.815 -11.118 3.191 1.00 0.00 C ATOM 132 CG2 VAL C 9 82.701 -13.074 4.270 1.00 0.00 C ATOM 0 H VAL C 9 85.329 -12.903 4.257 1.00 0.00 H new ATOM 0 HA VAL C 9 84.667 -10.656 5.724 1.00 0.00 H new ATOM 0 HB VAL C 9 82.383 -11.011 4.791 1.00 0.00 H new ATOM 0 HG11 VAL C 9 83.054 -11.111 2.411 1.00 0.00 H new ATOM 0 HG12 VAL C 9 84.180 -10.104 3.351 1.00 0.00 H new ATOM 0 HG13 VAL C 9 84.643 -11.758 2.885 1.00 0.00 H new ATOM 0 HG21 VAL C 9 81.941 -13.071 3.489 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.530 -13.715 3.968 1.00 0.00 H new ATOM 0 HG23 VAL C 9 82.268 -13.453 5.196 1.00 0.00 H new ATOM 142 N GLU C 10 83.677 -13.474 7.056 1.00 0.00 N ATOM 143 CA GLU C 10 83.112 -14.094 8.249 1.00 0.00 C ATOM 144 C GLU C 10 84.075 -13.930 9.414 1.00 0.00 C ATOM 145 O GLU C 10 83.671 -13.676 10.549 1.00 0.00 O ATOM 146 CB GLU C 10 82.863 -15.584 8.010 1.00 0.00 C ATOM 147 CG GLU C 10 81.620 -15.758 7.136 1.00 0.00 C ATOM 148 CD GLU C 10 80.391 -15.926 8.024 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.513 -16.566 9.055 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.347 -15.412 7.659 1.00 0.00 O ATOM 0 H GLU C 10 84.090 -14.130 6.393 1.00 0.00 H new ATOM 0 HA GLU C 10 82.164 -13.607 8.479 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.728 -16.035 7.525 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.727 -16.098 8.961 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.496 -14.892 6.486 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.736 -16.628 6.490 1.00 0.00 H new ATOM 157 N GLN C 11 85.360 -14.068 9.110 1.00 0.00 N ATOM 158 CA GLN C 11 86.392 -13.922 10.126 1.00 0.00 C ATOM 159 C GLN C 11 86.126 -12.677 10.956 1.00 0.00 C ATOM 160 O GLN C 11 86.178 -12.706 12.186 1.00 0.00 O ATOM 161 CB GLN C 11 87.762 -13.787 9.468 1.00 0.00 C ATOM 162 CG GLN C 11 88.130 -15.103 8.779 1.00 0.00 C ATOM 163 CD GLN C 11 89.644 -15.190 8.618 1.00 0.00 C ATOM 164 OE1 GLN C 11 90.266 -16.156 9.059 1.00 0.00 O ATOM 165 NE2 GLN C 11 90.280 -14.230 8.005 1.00 0.00 N ATOM 0 H GLN C 11 85.709 -14.279 8.175 1.00 0.00 H new ATOM 0 HA GLN C 11 86.377 -14.806 10.764 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.750 -12.975 8.741 1.00 0.00 H new ATOM 0 HB3 GLN C 11 88.513 -13.534 10.216 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.768 -15.947 9.366 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.646 -15.162 7.804 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.765 -13.429 7.639 1.00 0.00 H new ATOM 0 HE22 GLN C 11 91.292 -14.280 7.891 1.00 0.00 H new ATOM 174 N LEU C 12 85.842 -11.578 10.264 1.00 0.00 N ATOM 175 CA LEU C 12 85.571 -10.319 10.943 1.00 0.00 C ATOM 176 C LEU C 12 84.378 -10.472 11.881 1.00 0.00 C ATOM 177 O LEU C 12 83.517 -11.329 11.679 1.00 0.00 O ATOM 178 CB LEU C 12 85.274 -9.206 9.932 1.00 0.00 C ATOM 179 CG LEU C 12 86.305 -9.240 8.801 1.00 0.00 C ATOM 180 CD1 LEU C 12 86.217 -7.943 7.994 1.00 0.00 C ATOM 181 CD2 LEU C 12 87.711 -9.373 9.389 1.00 0.00 C ATOM 0 H LEU C 12 85.794 -11.534 9.246 1.00 0.00 H new ATOM 0 HA LEU C 12 86.458 -10.051 11.517 1.00 0.00 H new ATOM 0 HB2 LEU C 12 84.271 -9.331 9.525 1.00 0.00 H new ATOM 0 HB3 LEU C 12 85.298 -8.236 10.429 1.00 0.00 H new ATOM 0 HG LEU C 12 86.100 -10.092 8.153 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.951 -7.965 7.188 1.00 0.00 H new ATOM 0 HD12 LEU C 12 85.217 -7.844 7.572 1.00 0.00 H new ATOM 0 HD13 LEU C 12 86.421 -7.094 8.646 1.00 0.00 H new ATOM 0 HD21 LEU C 12 88.442 -9.397 8.581 1.00 0.00 H new ATOM 0 HD22 LEU C 12 87.916 -8.522 10.039 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.778 -10.295 9.967 1.00 0.00 H new ATOM 193 N THR C 13 84.337 -9.632 12.911 1.00 0.00 N ATOM 194 CA THR C 13 83.245 -9.681 13.881 1.00 0.00 C ATOM 195 C THR C 13 82.134 -8.717 13.480 1.00 0.00 C ATOM 196 O THR C 13 82.376 -7.708 12.819 1.00 0.00 O ATOM 197 CB THR C 13 83.750 -9.303 15.275 1.00 0.00 C ATOM 198 OG1 THR C 13 85.134 -8.986 15.207 1.00 0.00 O ATOM 199 CG2 THR C 13 83.538 -10.477 16.232 1.00 0.00 C ATOM 0 H THR C 13 85.039 -8.916 13.096 1.00 0.00 H new ATOM 0 HA THR C 13 82.856 -10.699 13.899 1.00 0.00 H new ATOM 0 HB THR C 13 83.198 -8.437 15.639 1.00 0.00 H new ATOM 0 HG1 THR C 13 85.458 -8.742 16.099 1.00 0.00 H new ATOM 0 HG21 THR C 13 83.898 -10.207 17.225 1.00 0.00 H new ATOM 0 HG22 THR C 13 82.476 -10.717 16.284 1.00 0.00 H new ATOM 0 HG23 THR C 13 84.089 -11.345 15.870 1.00 0.00 H new ATOM 207 N GLU C 14 80.910 -9.037 13.892 1.00 0.00 N ATOM 208 CA GLU C 14 79.767 -8.189 13.573 1.00 0.00 C ATOM 209 C GLU C 14 80.147 -6.719 13.712 1.00 0.00 C ATOM 210 O GLU C 14 79.603 -5.854 13.025 1.00 0.00 O ATOM 211 CB GLU C 14 78.595 -8.492 14.508 1.00 0.00 C ATOM 212 CG GLU C 14 77.279 -8.156 13.803 1.00 0.00 C ATOM 213 CD GLU C 14 76.108 -8.561 14.690 1.00 0.00 C ATOM 214 OE1 GLU C 14 76.355 -9.126 15.743 1.00 0.00 O ATOM 215 OE2 GLU C 14 74.980 -8.299 14.305 1.00 0.00 O ATOM 0 H GLU C 14 80.686 -9.867 14.441 1.00 0.00 H new ATOM 0 HA GLU C 14 79.469 -8.395 12.545 1.00 0.00 H new ATOM 0 HB2 GLU C 14 78.608 -9.543 14.795 1.00 0.00 H new ATOM 0 HB3 GLU C 14 78.688 -7.910 15.425 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.233 -7.089 13.586 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.223 -8.678 12.848 1.00 0.00 H new ATOM 222 N GLU C 15 81.093 -6.447 14.608 1.00 0.00 N ATOM 223 CA GLU C 15 81.546 -5.078 14.829 1.00 0.00 C ATOM 224 C GLU C 15 82.013 -4.460 13.515 1.00 0.00 C ATOM 225 O GLU C 15 81.337 -3.607 12.940 1.00 0.00 O ATOM 226 CB GLU C 15 82.700 -5.048 15.833 1.00 0.00 C ATOM 227 CG GLU C 15 82.299 -5.813 17.096 1.00 0.00 C ATOM 228 CD GLU C 15 82.189 -4.841 18.266 1.00 0.00 C ATOM 229 OE1 GLU C 15 83.214 -4.530 18.849 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.082 -4.422 18.560 1.00 0.00 O ATOM 0 H GLU C 15 81.556 -7.148 15.186 1.00 0.00 H new ATOM 0 HA GLU C 15 80.709 -4.505 15.227 1.00 0.00 H new ATOM 0 HB2 GLU C 15 83.591 -5.495 15.392 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.951 -4.017 16.084 1.00 0.00 H new ATOM 0 HG2 GLU C 15 81.347 -6.320 16.940 1.00 0.00 H new ATOM 0 HG3 GLU C 15 83.038 -6.583 17.317 1.00 0.00 H new ATOM 237 N GLN C 16 83.176 -4.905 13.045 1.00 0.00 N ATOM 238 CA GLN C 16 83.719 -4.383 11.787 1.00 0.00 C ATOM 239 C GLN C 16 82.665 -4.478 10.691 1.00 0.00 C ATOM 240 O GLN C 16 82.507 -3.566 9.879 1.00 0.00 O ATOM 241 CB GLN C 16 84.987 -5.132 11.326 1.00 0.00 C ATOM 242 CG GLN C 16 85.368 -6.236 12.317 1.00 0.00 C ATOM 243 CD GLN C 16 86.675 -6.893 11.882 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.861 -8.094 12.068 1.00 0.00 O ATOM 245 NE2 GLN C 16 87.605 -6.172 11.316 1.00 0.00 N ATOM 0 H GLN C 16 83.753 -5.611 13.503 1.00 0.00 H new ATOM 0 HA GLN C 16 83.995 -3.345 11.971 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.818 -5.566 10.341 1.00 0.00 H new ATOM 0 HB3 GLN C 16 85.813 -4.428 11.227 1.00 0.00 H new ATOM 0 HG2 GLN C 16 85.476 -5.818 13.318 1.00 0.00 H new ATOM 0 HG3 GLN C 16 84.575 -6.982 12.367 1.00 0.00 H new ATOM 0 HE21 GLN C 16 87.454 -5.175 11.160 1.00 0.00 H new ATOM 0 HE22 GLN C 16 88.483 -6.605 11.030 1.00 0.00 H new ATOM 254 N LYS C 17 81.935 -5.589 10.683 1.00 0.00 N ATOM 255 CA LYS C 17 80.886 -5.789 9.689 1.00 0.00 C ATOM 256 C LYS C 17 79.829 -4.699 9.828 1.00 0.00 C ATOM 257 O LYS C 17 79.312 -4.182 8.837 1.00 0.00 O ATOM 258 CB LYS C 17 80.227 -7.156 9.874 1.00 0.00 C ATOM 259 CG LYS C 17 80.090 -7.848 8.517 1.00 0.00 C ATOM 260 CD LYS C 17 80.987 -9.087 8.481 1.00 0.00 C ATOM 261 CE LYS C 17 80.226 -10.283 9.056 1.00 0.00 C ATOM 262 NZ LYS C 17 79.206 -10.742 8.071 1.00 0.00 N ATOM 0 H LYS C 17 82.048 -6.356 11.345 1.00 0.00 H new ATOM 0 HA LYS C 17 81.336 -5.742 8.697 1.00 0.00 H new ATOM 0 HB2 LYS C 17 80.824 -7.770 10.548 1.00 0.00 H new ATOM 0 HB3 LYS C 17 79.246 -7.039 10.334 1.00 0.00 H new ATOM 0 HG2 LYS C 17 79.052 -8.133 8.346 1.00 0.00 H new ATOM 0 HG3 LYS C 17 80.368 -7.162 7.717 1.00 0.00 H new ATOM 0 HD2 LYS C 17 81.295 -9.297 7.457 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.895 -8.909 9.057 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.919 -11.093 9.283 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.743 -10.004 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.992 -11.746 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.338 -10.180 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.575 -10.620 7.106 1.00 0.00 H new ATOM 276 N ASN C 18 79.522 -4.352 11.075 1.00 0.00 N ATOM 277 CA ASN C 18 78.531 -3.315 11.346 1.00 0.00 C ATOM 278 C ASN C 18 79.013 -1.973 10.808 1.00 0.00 C ATOM 279 O ASN C 18 78.436 -1.418 9.873 1.00 0.00 O ATOM 280 CB ASN C 18 78.287 -3.187 12.850 1.00 0.00 C ATOM 281 CG ASN C 18 77.438 -4.358 13.331 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.879 -5.100 12.523 1.00 0.00 O ATOM 283 ND2 ASN C 18 77.308 -4.571 14.611 1.00 0.00 N ATOM 0 H ASN C 18 79.941 -4.769 11.906 1.00 0.00 H new ATOM 0 HA ASN C 18 77.602 -3.597 10.851 1.00 0.00 H new ATOM 0 HB2 ASN C 18 79.238 -3.171 13.383 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.783 -2.245 13.068 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.743 -5.353 14.943 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.771 -3.956 15.280 1.00 0.00 H new ATOM 290 N GLU C 19 80.085 -1.459 11.407 1.00 0.00 N ATOM 291 CA GLU C 19 80.642 -0.181 10.977 1.00 0.00 C ATOM 292 C GLU C 19 80.824 -0.174 9.464 1.00 0.00 C ATOM 293 O GLU C 19 80.807 0.878 8.825 1.00 0.00 O ATOM 294 CB GLU C 19 81.997 0.068 11.642 1.00 0.00 C ATOM 295 CG GLU C 19 82.830 -1.213 11.609 1.00 0.00 C ATOM 296 CD GLU C 19 84.268 -0.894 12.001 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.458 0.025 12.780 1.00 0.00 O ATOM 298 OE2 GLU C 19 85.159 -1.573 11.517 1.00 0.00 O ATOM 0 H GLU C 19 80.579 -1.902 12.182 1.00 0.00 H new ATOM 0 HA GLU C 19 79.949 0.607 11.270 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.525 0.870 11.125 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.853 0.393 12.672 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.410 -1.950 12.293 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.802 -1.652 10.612 1.00 0.00 H new ATOM 305 N PHE C 20 80.996 -1.365 8.902 1.00 0.00 N ATOM 306 CA PHE C 20 81.179 -1.499 7.460 1.00 0.00 C ATOM 307 C PHE C 20 79.892 -1.138 6.727 1.00 0.00 C ATOM 308 O PHE C 20 79.856 -0.199 5.931 1.00 0.00 O ATOM 309 CB PHE C 20 81.572 -2.933 7.101 1.00 0.00 C ATOM 310 CG PHE C 20 83.073 -3.023 6.961 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.769 -2.042 6.245 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.769 -4.087 7.547 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.161 -2.125 6.114 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.161 -4.170 7.416 1.00 0.00 C ATOM 315 CZ PHE C 20 85.857 -3.189 6.700 1.00 0.00 C ATOM 0 H PHE C 20 81.013 -2.245 9.417 1.00 0.00 H new ATOM 0 HA PHE C 20 81.975 -0.819 7.156 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.226 -3.620 7.873 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.091 -3.231 6.170 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.232 -1.221 5.793 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.233 -4.844 8.100 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.697 -1.368 5.561 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.698 -4.991 7.868 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.930 -3.253 6.600 1.00 0.00 H new ATOM 325 N LYS C 21 78.831 -1.893 7.009 1.00 0.00 N ATOM 326 CA LYS C 21 77.542 -1.638 6.371 1.00 0.00 C ATOM 327 C LYS C 21 77.190 -0.160 6.482 1.00 0.00 C ATOM 328 O LYS C 21 76.490 0.392 5.634 1.00 0.00 O ATOM 329 CB LYS C 21 76.439 -2.469 7.030 1.00 0.00 C ATOM 330 CG LYS C 21 76.853 -3.942 7.046 1.00 0.00 C ATOM 331 CD LYS C 21 75.605 -4.827 7.001 1.00 0.00 C ATOM 332 CE LYS C 21 75.110 -5.083 8.426 1.00 0.00 C ATOM 333 NZ LYS C 21 74.629 -6.489 8.541 1.00 0.00 N ATOM 0 H LYS C 21 78.837 -2.674 7.665 1.00 0.00 H new ATOM 0 HA LYS C 21 77.620 -1.920 5.321 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.263 -2.118 8.047 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.503 -2.349 6.485 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.496 -4.159 6.193 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.432 -4.158 7.944 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.824 -4.343 6.415 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.834 -5.772 6.509 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.914 -4.903 9.139 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.305 -4.391 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 74.293 -6.663 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.849 -6.645 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 75.409 -7.142 8.323 1.00 0.00 H new ATOM 347 N ALA C 22 77.695 0.476 7.535 1.00 0.00 N ATOM 348 CA ALA C 22 77.438 1.898 7.746 1.00 0.00 C ATOM 349 C ALA C 22 78.042 2.709 6.606 1.00 0.00 C ATOM 350 O ALA C 22 77.355 3.488 5.946 1.00 0.00 O ATOM 351 CB ALA C 22 78.047 2.367 9.071 1.00 0.00 C ATOM 0 H ALA C 22 78.278 0.037 8.248 1.00 0.00 H new ATOM 0 HA ALA C 22 76.359 2.049 7.777 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.844 3.429 9.209 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.606 1.804 9.894 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.124 2.202 9.055 1.00 0.00 H new ATOM 357 N ALA C 23 79.337 2.510 6.379 1.00 0.00 N ATOM 358 CA ALA C 23 80.034 3.223 5.313 1.00 0.00 C ATOM 359 C ALA C 23 79.444 2.851 3.959 1.00 0.00 C ATOM 360 O ALA C 23 79.612 3.570 2.973 1.00 0.00 O ATOM 361 CB ALA C 23 81.526 2.879 5.322 1.00 0.00 C ATOM 0 H ALA C 23 79.921 1.867 6.914 1.00 0.00 H new ATOM 0 HA ALA C 23 79.912 4.293 5.484 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.029 3.420 4.520 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.960 3.165 6.280 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.653 1.807 5.172 1.00 0.00 H new ATOM 367 N PHE C 24 78.743 1.722 3.924 1.00 0.00 N ATOM 368 CA PHE C 24 78.120 1.265 2.686 1.00 0.00 C ATOM 369 C PHE C 24 76.976 2.198 2.304 1.00 0.00 C ATOM 370 O PHE C 24 76.653 2.367 1.128 1.00 0.00 O ATOM 371 CB PHE C 24 77.569 -0.153 2.852 1.00 0.00 C ATOM 372 CG PHE C 24 78.555 -1.149 2.294 1.00 0.00 C ATOM 373 CD1 PHE C 24 79.696 -1.492 3.029 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.328 -1.730 1.042 1.00 0.00 C ATOM 375 CE1 PHE C 24 80.610 -2.418 2.511 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.241 -2.656 0.523 1.00 0.00 C ATOM 377 CZ PHE C 24 80.382 -3.000 1.258 1.00 0.00 C ATOM 0 H PHE C 24 78.593 1.113 4.728 1.00 0.00 H new ATOM 0 HA PHE C 24 78.878 1.267 1.903 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.384 -0.361 3.906 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.613 -0.245 2.337 1.00 0.00 H new ATOM 0 HD1 PHE C 24 79.871 -1.043 3.995 1.00 0.00 H new ATOM 0 HD2 PHE C 24 77.448 -1.464 0.475 1.00 0.00 H new ATOM 0 HE1 PHE C 24 81.490 -2.683 3.078 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.065 -3.105 -0.444 1.00 0.00 H new ATOM 0 HZ PHE C 24 81.086 -3.714 0.858 1.00 0.00 H new ATOM 387 N ASP C 25 76.363 2.795 3.320 1.00 0.00 N ATOM 388 CA ASP C 25 75.246 3.708 3.098 1.00 0.00 C ATOM 389 C ASP C 25 75.737 5.131 2.841 1.00 0.00 C ATOM 390 O ASP C 25 74.956 6.081 2.887 1.00 0.00 O ATOM 391 CB ASP C 25 74.319 3.719 4.316 1.00 0.00 C ATOM 392 CG ASP C 25 73.005 3.031 3.962 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.048 1.871 3.588 1.00 0.00 O ATOM 394 OD2 ASP C 25 71.975 3.675 4.073 1.00 0.00 O ATOM 0 H ASP C 25 76.618 2.665 4.299 1.00 0.00 H new ATOM 0 HA ASP C 25 74.704 3.355 2.220 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.795 3.208 5.153 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.131 4.745 4.634 1.00 0.00 H new ATOM 399 N ILE C 26 77.033 5.279 2.572 1.00 0.00 N ATOM 400 CA ILE C 26 77.586 6.607 2.316 1.00 0.00 C ATOM 401 C ILE C 26 78.180 6.683 0.914 1.00 0.00 C ATOM 402 O ILE C 26 77.977 7.658 0.190 1.00 0.00 O ATOM 403 CB ILE C 26 78.674 6.971 3.333 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.611 6.027 4.542 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.460 8.413 3.798 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.451 6.428 5.459 1.00 0.00 C ATOM 0 H ILE C 26 77.707 4.514 2.526 1.00 0.00 H new ATOM 0 HA ILE C 26 76.764 7.316 2.409 1.00 0.00 H new ATOM 0 HB ILE C 26 79.652 6.872 2.863 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.480 4.999 4.205 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.551 6.065 5.093 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.230 8.680 4.522 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.519 9.084 2.941 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.478 8.504 4.263 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.413 5.753 6.314 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.600 7.449 5.809 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.513 6.367 4.907 1.00 0.00 H new ATOM 418 N PHE C 27 78.924 5.646 0.539 1.00 0.00 N ATOM 419 CA PHE C 27 79.550 5.610 -0.779 1.00 0.00 C ATOM 420 C PHE C 27 78.490 5.628 -1.879 1.00 0.00 C ATOM 421 O PHE C 27 78.777 5.930 -3.037 1.00 0.00 O ATOM 422 CB PHE C 27 80.431 4.363 -0.918 1.00 0.00 C ATOM 423 CG PHE C 27 79.584 3.154 -1.227 1.00 0.00 C ATOM 424 CD1 PHE C 27 79.309 2.810 -2.554 1.00 0.00 C ATOM 425 CD2 PHE C 27 79.085 2.373 -0.184 1.00 0.00 C ATOM 426 CE1 PHE C 27 78.534 1.679 -2.837 1.00 0.00 C ATOM 427 CE2 PHE C 27 78.308 1.243 -0.463 1.00 0.00 C ATOM 428 CZ PHE C 27 78.032 0.895 -1.791 1.00 0.00 C ATOM 0 H PHE C 27 79.107 4.829 1.121 1.00 0.00 H new ATOM 0 HA PHE C 27 80.175 6.496 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE C 27 81.164 4.514 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.988 4.199 0.004 1.00 0.00 H new ATOM 0 HD1 PHE C 27 79.694 3.416 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE C 27 79.299 2.641 0.840 1.00 0.00 H new ATOM 0 HE1 PHE C 27 78.323 1.411 -3.862 1.00 0.00 H new ATOM 0 HE2 PHE C 27 77.922 0.640 0.345 1.00 0.00 H new ATOM 0 HZ PHE C 27 77.433 0.023 -2.008 1.00 0.00 H new ATOM 438 N VAL C 28 77.257 5.320 -1.493 1.00 0.00 N ATOM 439 CA VAL C 28 76.143 5.317 -2.437 1.00 0.00 C ATOM 440 C VAL C 28 74.906 5.904 -1.762 1.00 0.00 C ATOM 441 O VAL C 28 73.778 5.475 -2.007 1.00 0.00 O ATOM 442 CB VAL C 28 75.833 3.894 -2.913 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.747 3.533 -4.089 1.00 0.00 C ATOM 444 CG2 VAL C 28 76.067 2.911 -1.764 1.00 0.00 C ATOM 0 H VAL C 28 77.003 5.070 -0.537 1.00 0.00 H new ATOM 0 HA VAL C 28 76.421 5.920 -3.302 1.00 0.00 H new ATOM 0 HB VAL C 28 74.793 3.839 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.524 2.520 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL C 28 76.580 4.233 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.788 3.589 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.847 1.898 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL C 28 77.107 2.968 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.414 3.165 -0.929 1.00 0.00 H new ATOM 454 N LEU C 29 75.142 6.891 -0.897 1.00 0.00 N ATOM 455 CA LEU C 29 74.054 7.541 -0.169 1.00 0.00 C ATOM 456 C LEU C 29 73.138 8.308 -1.123 1.00 0.00 C ATOM 457 O LEU C 29 72.072 8.786 -0.734 1.00 0.00 O ATOM 458 CB LEU C 29 74.625 8.495 0.899 1.00 0.00 C ATOM 459 CG LEU C 29 74.836 9.898 0.315 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.646 10.786 0.679 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.116 10.503 0.893 1.00 0.00 C ATOM 0 H LEU C 29 76.071 7.255 -0.685 1.00 0.00 H new ATOM 0 HA LEU C 29 73.464 6.768 0.322 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.944 8.548 1.748 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.572 8.105 1.273 1.00 0.00 H new ATOM 0 HG LEU C 29 74.922 9.830 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU C 29 73.796 11.783 0.264 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.732 10.356 0.269 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.561 10.853 1.764 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.267 11.500 0.479 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.029 10.570 1.977 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.966 9.871 0.636 1.00 0.00 H new ATOM 473 N GLY C 30 73.566 8.416 -2.374 1.00 0.00 N ATOM 474 CA GLY C 30 72.780 9.124 -3.380 1.00 0.00 C ATOM 475 C GLY C 30 72.818 8.386 -4.713 1.00 0.00 C ATOM 476 O GLY C 30 72.388 8.910 -5.741 1.00 0.00 O ATOM 0 H GLY C 30 74.445 8.027 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.748 9.220 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.169 10.134 -3.507 1.00 0.00 H new ATOM 480 N ALA C 31 73.336 7.161 -4.686 1.00 0.00 N ATOM 481 CA ALA C 31 73.425 6.355 -5.899 1.00 0.00 C ATOM 482 C ALA C 31 72.113 5.622 -6.148 1.00 0.00 C ATOM 483 O ALA C 31 71.316 5.414 -5.233 1.00 0.00 O ATOM 484 CB ALA C 31 74.557 5.331 -5.783 1.00 0.00 C ATOM 0 H ALA C 31 73.697 6.709 -3.846 1.00 0.00 H new ATOM 0 HA ALA C 31 73.630 7.026 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.608 4.739 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.504 5.850 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.367 4.673 -4.935 1.00 0.00 H new ATOM 490 N GLU C 32 71.900 5.237 -7.400 1.00 0.00 N ATOM 491 CA GLU C 32 70.682 4.529 -7.775 1.00 0.00 C ATOM 492 C GLU C 32 70.590 3.199 -7.034 1.00 0.00 C ATOM 493 O GLU C 32 69.580 2.893 -6.401 1.00 0.00 O ATOM 494 CB GLU C 32 70.667 4.266 -9.280 1.00 0.00 C ATOM 495 CG GLU C 32 69.342 4.752 -9.871 1.00 0.00 C ATOM 496 CD GLU C 32 68.481 3.551 -10.246 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.037 2.570 -10.709 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.277 3.631 -10.063 1.00 0.00 O ATOM 0 H GLU C 32 72.550 5.402 -8.169 1.00 0.00 H new ATOM 0 HA GLU C 32 69.829 5.152 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.501 4.780 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.795 3.201 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.817 5.378 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.528 5.368 -10.751 1.00 0.00 H new ATOM 505 N ASP C 33 71.660 2.413 -7.121 1.00 0.00 N ATOM 506 CA ASP C 33 71.694 1.113 -6.454 1.00 0.00 C ATOM 507 C ASP C 33 72.780 1.096 -5.381 1.00 0.00 C ATOM 508 O ASP C 33 72.533 1.444 -4.226 1.00 0.00 O ATOM 509 CB ASP C 33 71.964 -0.006 -7.463 1.00 0.00 C ATOM 510 CG ASP C 33 72.794 0.536 -8.622 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.870 1.050 -8.364 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.341 0.430 -9.750 1.00 0.00 O ATOM 0 H ASP C 33 72.506 2.649 -7.640 1.00 0.00 H new ATOM 0 HA ASP C 33 70.722 0.947 -5.990 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.492 -0.827 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.022 -0.409 -7.835 1.00 0.00 H new ATOM 517 N GLY C 34 73.987 0.688 -5.770 1.00 0.00 N ATOM 518 CA GLY C 34 75.099 0.633 -4.827 1.00 0.00 C ATOM 519 C GLY C 34 76.426 0.576 -5.572 1.00 0.00 C ATOM 520 O GLY C 34 77.190 -0.380 -5.438 1.00 0.00 O ATOM 0 H GLY C 34 74.217 0.394 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.077 1.508 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.997 -0.242 -4.186 1.00 0.00 H new ATOM 524 N CYS C 35 76.689 1.609 -6.367 1.00 0.00 N ATOM 525 CA CYS C 35 77.926 1.662 -7.137 1.00 0.00 C ATOM 526 C CYS C 35 78.855 2.743 -6.597 1.00 0.00 C ATOM 527 O CYS C 35 78.411 3.743 -6.035 1.00 0.00 O ATOM 528 CB CYS C 35 77.630 1.946 -8.611 1.00 0.00 C ATOM 529 SG CYS C 35 76.998 0.443 -9.397 1.00 0.00 S ATOM 0 H CYS C 35 76.071 2.410 -6.494 1.00 0.00 H new ATOM 0 HA CYS C 35 78.415 0.692 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.899 2.750 -8.698 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.535 2.281 -9.117 1.00 0.00 H new ATOM 0 HG CYS C 35 75.719 0.346 -9.183 1.00 0.00 H new ATOM 535 N ILE C 36 80.156 2.525 -6.773 1.00 0.00 N ATOM 536 CA ILE C 36 81.151 3.482 -6.298 1.00 0.00 C ATOM 537 C ILE C 36 82.046 3.938 -7.444 1.00 0.00 C ATOM 538 O ILE C 36 83.128 3.391 -7.662 1.00 0.00 O ATOM 539 CB ILE C 36 82.028 2.866 -5.204 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.304 1.665 -4.573 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.306 3.925 -4.136 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.908 1.344 -3.203 1.00 0.00 C ATOM 0 H ILE C 36 80.543 1.703 -7.236 1.00 0.00 H new ATOM 0 HA ILE C 36 80.612 4.337 -5.889 1.00 0.00 H new ATOM 0 HB ILE C 36 82.969 2.524 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.242 1.886 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE C 36 81.386 0.797 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.930 3.496 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.823 4.771 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.364 4.263 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.387 0.492 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.965 1.103 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE C 36 81.803 2.208 -2.547 1.00 0.00 H new ATOM 554 N SER C 37 81.587 4.951 -8.171 1.00 0.00 N ATOM 555 CA SER C 37 82.358 5.479 -9.291 1.00 0.00 C ATOM 556 C SER C 37 83.532 6.305 -8.778 1.00 0.00 C ATOM 557 O SER C 37 83.548 6.740 -7.626 1.00 0.00 O ATOM 558 CB SER C 37 81.481 6.360 -10.180 1.00 0.00 C ATOM 559 OG SER C 37 81.816 6.132 -11.543 1.00 0.00 O ATOM 0 H SER C 37 80.695 5.419 -8.008 1.00 0.00 H new ATOM 0 HA SER C 37 82.728 4.636 -9.874 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.428 6.135 -10.010 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.627 7.410 -9.928 1.00 0.00 H new ATOM 0 HG SER C 37 81.254 6.694 -12.116 1.00 0.00 H new ATOM 565 N THR C 38 84.516 6.518 -9.645 1.00 0.00 N ATOM 566 CA THR C 38 85.691 7.295 -9.267 1.00 0.00 C ATOM 567 C THR C 38 85.270 8.557 -8.520 1.00 0.00 C ATOM 568 O THR C 38 85.880 8.940 -7.524 1.00 0.00 O ATOM 569 CB THR C 38 86.498 7.699 -10.505 1.00 0.00 C ATOM 570 OG1 THR C 38 85.831 8.760 -11.174 1.00 0.00 O ATOM 571 CG2 THR C 38 86.634 6.505 -11.452 1.00 0.00 C ATOM 0 H THR C 38 84.525 6.168 -10.603 1.00 0.00 H new ATOM 0 HA THR C 38 86.310 6.672 -8.622 1.00 0.00 H new ATOM 0 HB THR C 38 87.491 8.024 -10.196 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.346 9.022 -11.966 1.00 0.00 H new ATOM 0 HG21 THR C 38 87.209 6.800 -12.330 1.00 0.00 H new ATOM 0 HG22 THR C 38 87.146 5.691 -10.940 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.644 6.172 -11.762 1.00 0.00 H new ATOM 579 N LYS C 39 84.218 9.200 -9.018 1.00 0.00 N ATOM 580 CA LYS C 39 83.719 10.426 -8.395 1.00 0.00 C ATOM 581 C LYS C 39 82.921 10.113 -7.132 1.00 0.00 C ATOM 582 O LYS C 39 83.175 10.672 -6.065 1.00 0.00 O ATOM 583 CB LYS C 39 82.820 11.193 -9.366 1.00 0.00 C ATOM 584 CG LYS C 39 83.649 12.233 -10.119 1.00 0.00 C ATOM 585 CD LYS C 39 84.017 11.688 -11.499 1.00 0.00 C ATOM 586 CE LYS C 39 82.868 11.948 -12.473 1.00 0.00 C ATOM 587 NZ LYS C 39 83.404 12.577 -13.713 1.00 0.00 N ATOM 0 H LYS C 39 83.698 8.898 -9.842 1.00 0.00 H new ATOM 0 HA LYS C 39 84.584 11.035 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.357 10.503 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS C 39 82.013 11.682 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.084 13.160 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS C 39 84.552 12.470 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS C 39 84.928 12.166 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS C 39 84.220 10.619 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.363 11.013 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.126 12.601 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.624 12.755 -14.377 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.867 13.477 -13.474 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 84.096 11.939 -14.155 1.00 0.00 H new ATOM 601 N GLU C 40 81.947 9.220 -7.270 1.00 0.00 N ATOM 602 CA GLU C 40 81.102 8.842 -6.139 1.00 0.00 C ATOM 603 C GLU C 40 81.929 8.692 -4.863 1.00 0.00 C ATOM 604 O GLU C 40 81.669 9.352 -3.856 1.00 0.00 O ATOM 605 CB GLU C 40 80.389 7.520 -6.430 1.00 0.00 C ATOM 606 CG GLU C 40 79.216 7.349 -5.463 1.00 0.00 C ATOM 607 CD GLU C 40 78.218 8.483 -5.669 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.996 8.850 -6.812 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.691 8.969 -4.682 1.00 0.00 O ATOM 0 H GLU C 40 81.723 8.747 -8.145 1.00 0.00 H new ATOM 0 HA GLU C 40 80.367 9.634 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.030 7.507 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU C 40 81.085 6.688 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.730 6.388 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU C 40 79.576 7.349 -4.434 1.00 0.00 H new ATOM 616 N LEU C 41 82.920 7.810 -4.917 1.00 0.00 N ATOM 617 CA LEU C 41 83.781 7.564 -3.760 1.00 0.00 C ATOM 618 C LEU C 41 84.327 8.873 -3.191 1.00 0.00 C ATOM 619 O LEU C 41 84.548 8.996 -1.986 1.00 0.00 O ATOM 620 CB LEU C 41 84.954 6.664 -4.156 1.00 0.00 C ATOM 621 CG LEU C 41 85.991 6.646 -3.031 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.340 6.140 -1.742 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.146 5.721 -3.418 1.00 0.00 C ATOM 0 H LEU C 41 83.149 7.255 -5.742 1.00 0.00 H new ATOM 0 HA LEU C 41 83.178 7.072 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.599 5.652 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.409 7.027 -5.078 1.00 0.00 H new ATOM 0 HG LEU C 41 86.371 7.655 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.080 6.128 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.518 6.800 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.958 5.131 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.885 5.708 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.766 4.712 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.611 6.083 -4.335 1.00 0.00 H new ATOM 635 N GLY C 42 84.553 9.845 -4.070 1.00 0.00 N ATOM 636 CA GLY C 42 85.086 11.137 -3.642 1.00 0.00 C ATOM 637 C GLY C 42 84.190 11.792 -2.593 1.00 0.00 C ATOM 638 O GLY C 42 84.588 12.751 -1.931 1.00 0.00 O ATOM 0 H GLY C 42 84.378 9.766 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.087 11.001 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.180 11.797 -4.505 1.00 0.00 H new ATOM 642 N LYS C 43 82.972 11.274 -2.454 1.00 0.00 N ATOM 643 CA LYS C 43 82.024 11.828 -1.489 1.00 0.00 C ATOM 644 C LYS C 43 82.307 11.318 -0.075 1.00 0.00 C ATOM 645 O LYS C 43 82.074 12.022 0.908 1.00 0.00 O ATOM 646 CB LYS C 43 80.593 11.450 -1.877 1.00 0.00 C ATOM 647 CG LYS C 43 79.603 12.307 -1.086 1.00 0.00 C ATOM 648 CD LYS C 43 78.483 12.777 -2.016 1.00 0.00 C ATOM 649 CE LYS C 43 78.495 14.304 -2.100 1.00 0.00 C ATOM 650 NZ LYS C 43 77.097 14.817 -2.032 1.00 0.00 N ATOM 0 H LYS C 43 82.620 10.481 -2.990 1.00 0.00 H new ATOM 0 HA LYS C 43 82.139 12.912 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.444 11.598 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.418 10.393 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.187 11.732 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.115 13.166 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.616 12.347 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS C 43 77.519 12.430 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.086 14.719 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.966 14.624 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.105 15.855 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 76.547 14.431 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 76.663 14.523 -1.134 1.00 0.00 H new ATOM 664 N VAL C 44 82.801 10.085 0.021 1.00 0.00 N ATOM 665 CA VAL C 44 83.096 9.493 1.328 1.00 0.00 C ATOM 666 C VAL C 44 84.494 9.885 1.804 1.00 0.00 C ATOM 667 O VAL C 44 84.708 10.150 2.987 1.00 0.00 O ATOM 668 CB VAL C 44 83.005 7.966 1.261 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.156 7.380 2.666 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.645 7.560 0.686 1.00 0.00 C ATOM 0 H VAL C 44 83.004 9.483 -0.777 1.00 0.00 H new ATOM 0 HA VAL C 44 82.357 9.873 2.033 1.00 0.00 H new ATOM 0 HB VAL C 44 83.801 7.585 0.621 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.091 6.293 2.616 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.124 7.667 3.078 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.361 7.762 3.307 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.580 6.473 0.638 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.850 7.943 1.326 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.535 7.974 -0.316 1.00 0.00 H new ATOM 680 N MET C 45 85.444 9.909 0.874 1.00 0.00 N ATOM 681 CA MET C 45 86.822 10.260 1.217 1.00 0.00 C ATOM 682 C MET C 45 86.891 11.661 1.815 1.00 0.00 C ATOM 683 O MET C 45 87.521 11.880 2.850 1.00 0.00 O ATOM 684 CB MET C 45 87.714 10.207 -0.025 1.00 0.00 C ATOM 685 CG MET C 45 87.829 8.761 -0.510 1.00 0.00 C ATOM 686 SD MET C 45 89.496 8.140 -0.172 1.00 0.00 S ATOM 687 CE MET C 45 89.124 7.328 1.403 1.00 0.00 C ATOM 0 H MET C 45 85.291 9.693 -0.111 1.00 0.00 H new ATOM 0 HA MET C 45 87.175 9.536 1.952 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.296 10.834 -0.813 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.702 10.604 0.207 1.00 0.00 H new ATOM 0 HG2 MET C 45 87.089 8.138 -0.008 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.619 8.707 -1.578 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.770 7.733 2.182 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.082 7.506 1.667 1.00 0.00 H new ATOM 0 HE3 MET C 45 89.297 6.256 1.309 1.00 0.00 H new ATOM 697 N ARG C 46 86.243 12.611 1.148 1.00 0.00 N ATOM 698 CA ARG C 46 86.246 13.994 1.619 1.00 0.00 C ATOM 699 C ARG C 46 85.731 14.080 3.056 1.00 0.00 C ATOM 700 O ARG C 46 86.063 15.010 3.791 1.00 0.00 O ATOM 701 CB ARG C 46 85.379 14.875 0.714 1.00 0.00 C ATOM 702 CG ARG C 46 83.900 14.540 0.917 1.00 0.00 C ATOM 703 CD ARG C 46 83.113 15.833 1.125 1.00 0.00 C ATOM 704 NE ARG C 46 83.075 16.610 -0.110 1.00 0.00 N ATOM 705 CZ ARG C 46 82.214 17.612 -0.265 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.388 17.918 0.697 1.00 0.00 N ATOM 707 NH2 ARG C 46 82.196 18.287 -1.381 1.00 0.00 N ATOM 0 H ARG C 46 85.715 12.453 0.290 1.00 0.00 H new ATOM 0 HA ARG C 46 87.275 14.353 1.589 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.556 15.927 0.939 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.655 14.721 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG C 46 83.515 14.002 0.051 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.779 13.884 1.779 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.098 15.601 1.447 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.572 16.422 1.919 1.00 0.00 H new ATOM 0 HE ARG C 46 83.719 16.381 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.402 17.389 1.569 1.00 0.00 H new ATOM 0 HH12 ARG C 46 80.728 18.687 0.577 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.841 18.046 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.536 19.056 -1.502 1.00 0.00 H new ATOM 721 N MET C 47 84.920 13.101 3.449 1.00 0.00 N ATOM 722 CA MET C 47 84.369 13.078 4.802 1.00 0.00 C ATOM 723 C MET C 47 85.413 12.570 5.789 1.00 0.00 C ATOM 724 O MET C 47 85.625 13.155 6.851 1.00 0.00 O ATOM 725 CB MET C 47 83.142 12.168 4.866 1.00 0.00 C ATOM 726 CG MET C 47 82.267 12.399 3.633 1.00 0.00 C ATOM 727 SD MET C 47 80.562 12.710 4.152 1.00 0.00 S ATOM 728 CE MET C 47 80.232 11.069 4.841 1.00 0.00 C ATOM 0 H MET C 47 84.632 12.321 2.858 1.00 0.00 H new ATOM 0 HA MET C 47 84.080 14.095 5.066 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.453 11.124 4.913 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.572 12.372 5.772 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.644 13.246 3.060 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.306 11.529 2.978 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.155 10.908 4.898 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.679 10.309 4.200 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.663 11.000 5.840 1.00 0.00 H new ATOM 738 N LEU C 48 86.065 11.472 5.420 1.00 0.00 N ATOM 739 CA LEU C 48 87.091 10.882 6.273 1.00 0.00 C ATOM 740 C LEU C 48 88.153 11.919 6.621 1.00 0.00 C ATOM 741 O LEU C 48 88.166 12.470 7.721 1.00 0.00 O ATOM 742 CB LEU C 48 87.757 9.702 5.559 1.00 0.00 C ATOM 743 CG LEU C 48 87.064 8.390 5.948 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.547 8.595 6.020 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.376 7.323 4.897 1.00 0.00 C ATOM 0 H LEU C 48 85.903 10.976 4.543 1.00 0.00 H new ATOM 0 HA LEU C 48 86.614 10.532 7.189 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.704 9.844 4.480 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.813 9.656 5.823 1.00 0.00 H new ATOM 0 HG LEU C 48 87.429 8.071 6.924 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.066 7.657 6.297 1.00 0.00 H new ATOM 0 HD12 LEU C 48 85.318 9.355 6.767 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.177 8.919 5.047 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.885 6.389 5.170 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.012 7.653 3.924 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.453 7.166 4.847 1.00 0.00 H new ATOM 757 N GLY C 49 89.042 12.181 5.668 1.00 0.00 N ATOM 758 CA GLY C 49 90.107 13.157 5.880 1.00 0.00 C ATOM 759 C GLY C 49 90.971 13.289 4.632 1.00 0.00 C ATOM 760 O GLY C 49 92.181 13.500 4.715 1.00 0.00 O ATOM 0 H GLY C 49 89.048 11.737 4.750 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.675 14.125 6.134 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.724 12.852 6.725 1.00 0.00 H new ATOM 764 N GLN C 50 90.334 13.161 3.472 1.00 0.00 N ATOM 765 CA GLN C 50 91.052 13.265 2.206 1.00 0.00 C ATOM 766 C GLN C 50 90.085 13.560 1.065 1.00 0.00 C ATOM 767 O GLN C 50 89.032 12.934 0.946 1.00 0.00 O ATOM 768 CB GLN C 50 91.791 11.961 1.900 1.00 0.00 C ATOM 769 CG GLN C 50 93.172 11.986 2.557 1.00 0.00 C ATOM 770 CD GLN C 50 94.138 11.139 1.736 1.00 0.00 C ATOM 771 OE1 GLN C 50 94.695 11.607 0.744 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.370 9.906 2.094 1.00 0.00 N ATOM 0 H GLN C 50 89.333 12.987 3.382 1.00 0.00 H new ATOM 0 HA GLN C 50 91.770 14.080 2.296 1.00 0.00 H new ATOM 0 HB2 GLN C 50 91.217 11.111 2.269 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.892 11.833 0.822 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.536 13.011 2.624 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.110 11.602 3.575 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.908 9.518 2.917 1.00 0.00 H new ATOM 0 HE22 GLN C 50 95.013 9.330 1.551 1.00 0.00 H new ATOM 781 N ASN C 51 90.460 14.518 0.224 1.00 0.00 N ATOM 782 CA ASN C 51 89.626 14.889 -0.913 1.00 0.00 C ATOM 783 C ASN C 51 90.308 14.491 -2.216 1.00 0.00 C ATOM 784 O ASN C 51 90.982 15.302 -2.851 1.00 0.00 O ATOM 785 CB ASN C 51 89.371 16.397 -0.928 1.00 0.00 C ATOM 786 CG ASN C 51 88.361 16.730 -2.022 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.160 16.806 -1.764 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.781 16.933 -3.241 1.00 0.00 N ATOM 0 H ASN C 51 91.328 15.047 0.307 1.00 0.00 H new ATOM 0 HA ASN C 51 88.675 14.365 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.994 16.723 0.041 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.304 16.933 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN C 51 88.114 17.155 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN C 51 89.776 16.870 -3.455 1.00 0.00 H new ATOM 795 N PRO C 52 90.136 13.237 -2.622 1.00 0.00 N ATOM 796 CA PRO C 52 90.738 12.719 -3.865 1.00 0.00 C ATOM 797 C PRO C 52 89.990 13.176 -5.116 1.00 0.00 C ATOM 798 O PRO C 52 88.952 13.831 -5.031 1.00 0.00 O ATOM 799 CB PRO C 52 90.621 11.211 -3.679 1.00 0.00 C ATOM 800 CG PRO C 52 89.486 10.973 -2.691 1.00 0.00 C ATOM 801 CD PRO C 52 89.327 12.256 -1.870 1.00 0.00 C ATOM 0 HA PRO C 52 91.757 13.074 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.415 10.720 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.555 10.795 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.561 10.735 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.711 10.126 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.284 12.563 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.691 12.130 -0.850 1.00 0.00 H new ATOM 809 N THR C 53 90.532 12.820 -6.276 1.00 0.00 N ATOM 810 CA THR C 53 89.910 13.196 -7.544 1.00 0.00 C ATOM 811 C THR C 53 89.478 11.947 -8.305 1.00 0.00 C ATOM 812 O THR C 53 89.675 10.824 -7.842 1.00 0.00 O ATOM 813 CB THR C 53 90.880 14.006 -8.417 1.00 0.00 C ATOM 814 OG1 THR C 53 91.448 13.158 -9.406 1.00 0.00 O ATOM 815 CG2 THR C 53 91.997 14.598 -7.554 1.00 0.00 C ATOM 0 H THR C 53 91.391 12.278 -6.366 1.00 0.00 H new ATOM 0 HA THR C 53 89.040 13.813 -7.319 1.00 0.00 H new ATOM 0 HB THR C 53 90.332 14.817 -8.897 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.846 13.704 -10.116 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.679 15.170 -8.183 1.00 0.00 H new ATOM 0 HG22 THR C 53 91.564 15.254 -6.798 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.545 13.792 -7.065 1.00 0.00 H new ATOM 823 N PRO C 54 88.885 12.138 -9.480 1.00 0.00 N ATOM 824 CA PRO C 54 88.416 11.025 -10.321 1.00 0.00 C ATOM 825 C PRO C 54 89.539 10.402 -11.145 1.00 0.00 C ATOM 826 O PRO C 54 89.391 9.315 -11.703 1.00 0.00 O ATOM 827 CB PRO C 54 87.393 11.709 -11.218 1.00 0.00 C ATOM 828 CG PRO C 54 87.755 13.190 -11.259 1.00 0.00 C ATOM 829 CD PRO C 54 88.647 13.478 -10.046 1.00 0.00 C ATOM 0 HA PRO C 54 88.017 10.194 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.411 11.280 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.384 11.569 -10.829 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.277 13.432 -12.185 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.856 13.806 -11.229 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.578 13.964 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.154 14.136 -9.330 1.00 0.00 H new ATOM 837 N GLU C 55 90.666 11.104 -11.211 1.00 0.00 N ATOM 838 CA GLU C 55 91.814 10.613 -11.964 1.00 0.00 C ATOM 839 C GLU C 55 92.618 9.632 -11.114 1.00 0.00 C ATOM 840 O GLU C 55 93.215 8.684 -11.625 1.00 0.00 O ATOM 841 CB GLU C 55 92.711 11.784 -12.396 1.00 0.00 C ATOM 842 CG GLU C 55 93.664 12.172 -11.260 1.00 0.00 C ATOM 843 CD GLU C 55 93.983 13.660 -11.348 1.00 0.00 C ATOM 844 OE1 GLU C 55 93.161 14.449 -10.913 1.00 0.00 O ATOM 845 OE2 GLU C 55 95.046 13.989 -11.850 1.00 0.00 O ATOM 0 H GLU C 55 90.808 12.006 -10.757 1.00 0.00 H new ATOM 0 HA GLU C 55 91.451 10.100 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.283 11.505 -13.281 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.095 12.640 -12.672 1.00 0.00 H new ATOM 0 HG2 GLU C 55 93.210 11.943 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.582 11.588 -11.326 1.00 0.00 H new ATOM 852 N GLU C 56 92.622 9.877 -9.806 1.00 0.00 N ATOM 853 CA GLU C 56 93.352 9.018 -8.878 1.00 0.00 C ATOM 854 C GLU C 56 92.455 7.888 -8.382 1.00 0.00 C ATOM 855 O GLU C 56 92.884 6.741 -8.264 1.00 0.00 O ATOM 856 CB GLU C 56 93.839 9.827 -7.673 1.00 0.00 C ATOM 857 CG GLU C 56 95.188 10.472 -8.000 1.00 0.00 C ATOM 858 CD GLU C 56 95.695 11.234 -6.780 1.00 0.00 C ATOM 859 OE1 GLU C 56 94.911 11.443 -5.869 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.860 11.597 -6.774 1.00 0.00 O ATOM 0 H GLU C 56 92.132 10.657 -9.368 1.00 0.00 H new ATOM 0 HA GLU C 56 94.208 8.600 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.109 10.595 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.936 9.179 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.908 9.707 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.084 11.149 -8.848 1.00 0.00 H new ATOM 867 N LEU C 57 91.204 8.231 -8.090 1.00 0.00 N ATOM 868 CA LEU C 57 90.245 7.244 -7.601 1.00 0.00 C ATOM 869 C LEU C 57 90.116 6.083 -8.583 1.00 0.00 C ATOM 870 O LEU C 57 90.120 4.917 -8.190 1.00 0.00 O ATOM 871 CB LEU C 57 88.872 7.887 -7.400 1.00 0.00 C ATOM 872 CG LEU C 57 88.857 8.647 -6.072 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.864 9.808 -6.155 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.438 7.697 -4.947 1.00 0.00 C ATOM 0 H LEU C 57 90.832 9.176 -8.182 1.00 0.00 H new ATOM 0 HA LEU C 57 90.612 6.866 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.652 8.567 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.096 7.122 -7.403 1.00 0.00 H new ATOM 0 HG LEU C 57 89.854 9.038 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.855 10.348 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU C 57 88.162 10.485 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.866 9.420 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.427 8.237 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.442 7.306 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.147 6.871 -4.885 1.00 0.00 H new ATOM 886 N GLN C 58 90.001 6.412 -9.867 1.00 0.00 N ATOM 887 CA GLN C 58 89.871 5.382 -10.894 1.00 0.00 C ATOM 888 C GLN C 58 90.827 4.228 -10.610 1.00 0.00 C ATOM 889 O GLN C 58 90.452 3.058 -10.688 1.00 0.00 O ATOM 890 CB GLN C 58 90.178 5.952 -12.279 1.00 0.00 C ATOM 891 CG GLN C 58 90.235 4.810 -13.297 1.00 0.00 C ATOM 892 CD GLN C 58 88.919 4.040 -13.273 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.806 3.011 -12.606 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.905 4.481 -13.968 1.00 0.00 N ATOM 0 H GLN C 58 89.995 7.370 -10.218 1.00 0.00 H new ATOM 0 HA GLN C 58 88.843 5.021 -10.876 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.412 6.672 -12.566 1.00 0.00 H new ATOM 0 HB3 GLN C 58 91.128 6.487 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.418 5.208 -14.295 1.00 0.00 H new ATOM 0 HG3 GLN C 58 91.064 4.142 -13.063 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.998 5.333 -14.521 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.020 3.973 -13.958 1.00 0.00 H new ATOM 903 N GLU C 59 92.069 4.572 -10.277 1.00 0.00 N ATOM 904 CA GLU C 59 93.074 3.556 -9.977 1.00 0.00 C ATOM 905 C GLU C 59 92.590 2.659 -8.846 1.00 0.00 C ATOM 906 O GLU C 59 92.835 1.453 -8.838 1.00 0.00 O ATOM 907 CB GLU C 59 94.395 4.209 -9.562 1.00 0.00 C ATOM 908 CG GLU C 59 95.429 3.124 -9.257 1.00 0.00 C ATOM 909 CD GLU C 59 95.472 2.122 -10.406 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.198 2.369 -11.355 1.00 0.00 O ATOM 911 OE2 GLU C 59 94.777 1.122 -10.321 1.00 0.00 O ATOM 0 H GLU C 59 92.401 5.534 -10.209 1.00 0.00 H new ATOM 0 HA GLU C 59 93.233 2.962 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.758 4.858 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.242 4.837 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU C 59 96.412 3.573 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.174 2.616 -8.327 1.00 0.00 H new ATOM 918 N MET C 60 91.895 3.267 -7.890 1.00 0.00 N ATOM 919 CA MET C 60 91.371 2.521 -6.750 1.00 0.00 C ATOM 920 C MET C 60 90.155 1.701 -7.167 1.00 0.00 C ATOM 921 O MET C 60 89.780 0.739 -6.498 1.00 0.00 O ATOM 922 CB MET C 60 90.968 3.475 -5.625 1.00 0.00 C ATOM 923 CG MET C 60 92.189 4.279 -5.173 1.00 0.00 C ATOM 924 SD MET C 60 91.641 5.794 -4.350 1.00 0.00 S ATOM 925 CE MET C 60 91.035 5.018 -2.832 1.00 0.00 C ATOM 0 H MET C 60 91.683 4.265 -7.880 1.00 0.00 H new ATOM 0 HA MET C 60 92.156 1.854 -6.394 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.183 4.149 -5.969 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.559 2.912 -4.786 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.799 3.683 -4.494 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.815 4.524 -6.031 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.842 5.786 -2.083 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.113 4.477 -3.043 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.785 4.323 -2.454 1.00 0.00 H new ATOM 935 N ILE C 61 89.544 2.092 -8.282 1.00 0.00 N ATOM 936 CA ILE C 61 88.370 1.382 -8.780 1.00 0.00 C ATOM 937 C ILE C 61 88.792 0.136 -9.551 1.00 0.00 C ATOM 938 O ILE C 61 88.313 -0.967 -9.286 1.00 0.00 O ATOM 939 CB ILE C 61 87.543 2.284 -9.700 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.297 3.629 -9.012 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.201 1.615 -10.004 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.463 3.420 -7.748 1.00 0.00 C ATOM 0 H ILE C 61 89.837 2.886 -8.851 1.00 0.00 H new ATOM 0 HA ILE C 61 87.764 1.092 -7.922 1.00 0.00 H new ATOM 0 HB ILE C 61 88.087 2.445 -10.631 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.248 4.097 -8.758 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.780 4.306 -9.692 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.614 2.259 -10.659 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.375 0.658 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.657 1.451 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.291 4.381 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.506 2.971 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.997 2.759 -7.065 1.00 0.00 H new ATOM 954 N ASP C 62 89.698 0.322 -10.507 1.00 0.00 N ATOM 955 CA ASP C 62 90.181 -0.796 -11.311 1.00 0.00 C ATOM 956 C ASP C 62 90.474 -2.003 -10.425 1.00 0.00 C ATOM 957 O ASP C 62 90.386 -3.149 -10.866 1.00 0.00 O ATOM 958 CB ASP C 62 91.454 -0.407 -12.064 1.00 0.00 C ATOM 959 CG ASP C 62 91.277 -0.702 -13.550 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.428 -1.516 -13.875 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.994 -0.111 -14.341 1.00 0.00 O ATOM 0 H ASP C 62 90.109 1.226 -10.742 1.00 0.00 H new ATOM 0 HA ASP C 62 89.402 -1.054 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.668 0.651 -11.916 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.306 -0.962 -11.671 1.00 0.00 H new ATOM 966 N GLU C 63 90.819 -1.735 -9.169 1.00 0.00 N ATOM 967 CA GLU C 63 91.118 -2.815 -8.231 1.00 0.00 C ATOM 968 C GLU C 63 89.899 -3.716 -8.071 1.00 0.00 C ATOM 969 O GLU C 63 90.021 -4.921 -7.850 1.00 0.00 O ATOM 970 CB GLU C 63 91.508 -2.257 -6.861 1.00 0.00 C ATOM 971 CG GLU C 63 92.303 -0.962 -7.039 1.00 0.00 C ATOM 972 CD GLU C 63 93.253 -0.783 -5.860 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.311 -1.391 -5.879 1.00 0.00 O ATOM 974 OE2 GLU C 63 92.909 -0.041 -4.955 1.00 0.00 O ATOM 0 H GLU C 63 90.898 -0.795 -8.780 1.00 0.00 H new ATOM 0 HA GLU C 63 91.955 -3.387 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.614 -2.067 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.104 -2.989 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.866 -0.994 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.624 -0.112 -7.105 1.00 0.00 H new ATOM 981 N VAL C 64 88.720 -3.114 -8.192 1.00 0.00 N ATOM 982 CA VAL C 64 87.472 -3.863 -8.068 1.00 0.00 C ATOM 983 C VAL C 64 86.825 -4.027 -9.435 1.00 0.00 C ATOM 984 O VAL C 64 86.224 -5.058 -9.737 1.00 0.00 O ATOM 985 CB VAL C 64 86.494 -3.133 -7.148 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.837 -3.431 -5.688 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.592 -1.627 -7.398 1.00 0.00 C ATOM 0 H VAL C 64 88.601 -2.117 -8.374 1.00 0.00 H new ATOM 0 HA VAL C 64 87.706 -4.840 -7.646 1.00 0.00 H new ATOM 0 HB VAL C 64 85.480 -3.474 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.137 -2.908 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL C 64 86.767 -4.504 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.851 -3.093 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.895 -1.103 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.608 -1.289 -7.192 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.343 -1.414 -8.437 1.00 0.00 H new ATOM 997 N ASP C 65 86.951 -2.991 -10.258 1.00 0.00 N ATOM 998 CA ASP C 65 86.372 -3.016 -11.596 1.00 0.00 C ATOM 999 C ASP C 65 87.090 -4.039 -12.472 1.00 0.00 C ATOM 1000 O ASP C 65 87.670 -3.697 -13.503 1.00 0.00 O ATOM 1001 CB ASP C 65 86.479 -1.638 -12.250 1.00 0.00 C ATOM 1002 CG ASP C 65 85.090 -1.021 -12.366 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.212 -1.445 -11.633 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.924 -0.133 -13.187 1.00 0.00 O ATOM 0 H ASP C 65 87.445 -2.130 -10.024 1.00 0.00 H new ATOM 0 HA ASP C 65 85.322 -3.294 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.127 -0.992 -11.658 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.933 -1.726 -13.237 1.00 0.00 H new ATOM 1009 N GLU C 66 87.042 -5.299 -12.051 1.00 0.00 N ATOM 1010 CA GLU C 66 87.690 -6.370 -12.802 1.00 0.00 C ATOM 1011 C GLU C 66 86.907 -6.676 -14.076 1.00 0.00 C ATOM 1012 O GLU C 66 87.405 -7.345 -14.981 1.00 0.00 O ATOM 1013 CB GLU C 66 87.778 -7.642 -11.955 1.00 0.00 C ATOM 1014 CG GLU C 66 89.223 -7.858 -11.502 1.00 0.00 C ATOM 1015 CD GLU C 66 89.960 -8.706 -12.534 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.526 -8.727 -13.674 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.948 -9.322 -12.169 1.00 0.00 O ATOM 0 H GLU C 66 86.566 -5.602 -11.202 1.00 0.00 H new ATOM 0 HA GLU C 66 88.695 -6.037 -13.062 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.123 -7.560 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.435 -8.500 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.724 -6.898 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.241 -8.352 -10.531 1.00 0.00 H new ATOM 1024 N ASP C 67 85.674 -6.179 -14.133 1.00 0.00 N ATOM 1025 CA ASP C 67 84.825 -6.407 -15.301 1.00 0.00 C ATOM 1026 C ASP C 67 84.830 -5.187 -16.219 1.00 0.00 C ATOM 1027 O ASP C 67 84.343 -5.243 -17.348 1.00 0.00 O ATOM 1028 CB ASP C 67 83.384 -6.706 -14.876 1.00 0.00 C ATOM 1029 CG ASP C 67 83.028 -5.885 -13.642 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.610 -4.826 -13.470 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.178 -6.326 -12.886 1.00 0.00 O ATOM 0 H ASP C 67 85.244 -5.622 -13.394 1.00 0.00 H new ATOM 0 HA ASP C 67 85.228 -7.266 -15.838 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.699 -6.471 -15.690 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.272 -7.769 -14.662 1.00 0.00 H new ATOM 1036 N GLY C 68 85.383 -4.084 -15.724 1.00 0.00 N ATOM 1037 CA GLY C 68 85.443 -2.857 -16.514 1.00 0.00 C ATOM 1038 C GLY C 68 84.071 -2.197 -16.590 1.00 0.00 C ATOM 1039 O GLY C 68 83.838 -1.308 -17.410 1.00 0.00 O ATOM 0 H GLY C 68 85.791 -4.013 -14.792 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.160 -2.167 -16.069 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.800 -3.083 -17.519 1.00 0.00 H new ATOM 1043 N SER C 69 83.165 -2.642 -15.725 1.00 0.00 N ATOM 1044 CA SER C 69 81.816 -2.088 -15.699 1.00 0.00 C ATOM 1045 C SER C 69 81.868 -0.573 -15.526 1.00 0.00 C ATOM 1046 O SER C 69 80.973 0.148 -15.964 1.00 0.00 O ATOM 1047 CB SER C 69 81.011 -2.693 -14.549 1.00 0.00 C ATOM 1048 OG SER C 69 81.433 -2.111 -13.324 1.00 0.00 O ATOM 0 H SER C 69 83.338 -3.377 -15.039 1.00 0.00 H new ATOM 0 HA SER C 69 81.333 -2.331 -16.646 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.947 -2.515 -14.702 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.153 -3.773 -14.520 1.00 0.00 H new ATOM 0 HG SER C 69 80.689 -2.115 -12.686 1.00 0.00 H new ATOM 1054 N GLY C 70 82.932 -0.101 -14.882 1.00 0.00 N ATOM 1055 CA GLY C 70 83.098 1.332 -14.656 1.00 0.00 C ATOM 1056 C GLY C 70 82.707 1.706 -13.230 1.00 0.00 C ATOM 1057 O GLY C 70 83.252 2.644 -12.648 1.00 0.00 O ATOM 0 H GLY C 70 83.684 -0.682 -14.511 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.134 1.616 -14.840 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.485 1.890 -15.364 1.00 0.00 H new ATOM 1061 N THR C 71 81.754 0.964 -12.676 1.00 0.00 N ATOM 1062 CA THR C 71 81.293 1.227 -11.315 1.00 0.00 C ATOM 1063 C THR C 71 81.577 0.032 -10.411 1.00 0.00 C ATOM 1064 O THR C 71 81.839 -1.074 -10.882 1.00 0.00 O ATOM 1065 CB THR C 71 79.791 1.515 -11.307 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.198 0.959 -12.472 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.563 3.027 -11.286 1.00 0.00 C ATOM 0 H THR C 71 81.289 0.184 -13.141 1.00 0.00 H new ATOM 0 HA THR C 71 81.832 2.097 -10.940 1.00 0.00 H new ATOM 0 HB THR C 71 79.338 1.069 -10.422 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.235 1.141 -12.468 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.493 3.234 -11.280 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.019 3.451 -10.392 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.014 3.475 -12.171 1.00 0.00 H new ATOM 1075 N VAL C 72 81.522 0.270 -9.103 1.00 0.00 N ATOM 1076 CA VAL C 72 81.776 -0.790 -8.129 1.00 0.00 C ATOM 1077 C VAL C 72 80.514 -1.091 -7.326 1.00 0.00 C ATOM 1078 O VAL C 72 80.129 -0.332 -6.437 1.00 0.00 O ATOM 1079 CB VAL C 72 82.891 -0.375 -7.169 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.175 -1.514 -6.188 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.158 -0.062 -7.968 1.00 0.00 C ATOM 0 H VAL C 72 81.306 1.179 -8.695 1.00 0.00 H new ATOM 0 HA VAL C 72 82.080 -1.684 -8.674 1.00 0.00 H new ATOM 0 HB VAL C 72 82.581 0.510 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL C 72 83.970 -1.216 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.273 -1.738 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.485 -2.401 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.955 0.234 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.466 -0.948 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.957 0.751 -8.665 1.00 0.00 H new ATOM 1091 N ASP C 73 79.876 -2.213 -7.649 1.00 0.00 N ATOM 1092 CA ASP C 73 78.654 -2.615 -6.954 1.00 0.00 C ATOM 1093 C ASP C 73 78.924 -2.812 -5.464 1.00 0.00 C ATOM 1094 O ASP C 73 79.962 -2.401 -4.945 1.00 0.00 O ATOM 1095 CB ASP C 73 78.111 -3.918 -7.546 1.00 0.00 C ATOM 1096 CG ASP C 73 79.127 -5.037 -7.342 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.403 -5.358 -6.198 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.614 -5.556 -8.332 1.00 0.00 O ATOM 0 H ASP C 73 80.180 -2.855 -8.380 1.00 0.00 H new ATOM 0 HA ASP C 73 77.916 -1.823 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.166 -4.180 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.906 -3.789 -8.609 1.00 0.00 H new ATOM 1103 N PHE C 74 77.968 -3.438 -4.784 1.00 0.00 N ATOM 1104 CA PHE C 74 78.088 -3.681 -3.347 1.00 0.00 C ATOM 1105 C PHE C 74 79.013 -4.866 -3.063 1.00 0.00 C ATOM 1106 O PHE C 74 79.793 -4.845 -2.111 1.00 0.00 O ATOM 1107 CB PHE C 74 76.704 -3.965 -2.754 1.00 0.00 C ATOM 1108 CG PHE C 74 76.842 -4.507 -1.349 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.208 -5.843 -1.148 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.603 -3.674 -0.250 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.336 -6.347 0.151 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.731 -4.178 1.051 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.099 -5.514 1.251 1.00 0.00 C ATOM 0 H PHE C 74 77.105 -3.786 -5.201 1.00 0.00 H new ATOM 0 HA PHE C 74 78.515 -2.790 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.110 -3.051 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.173 -4.683 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.392 -6.485 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.320 -2.643 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.618 -7.378 0.305 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.546 -3.536 1.900 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.200 -5.902 2.254 1.00 0.00 H new ATOM 1123 N ASP C 75 78.909 -5.901 -3.890 1.00 0.00 N ATOM 1124 CA ASP C 75 79.734 -7.095 -3.708 1.00 0.00 C ATOM 1125 C ASP C 75 81.222 -6.747 -3.731 1.00 0.00 C ATOM 1126 O ASP C 75 81.862 -6.634 -2.686 1.00 0.00 O ATOM 1127 CB ASP C 75 79.446 -8.118 -4.807 1.00 0.00 C ATOM 1128 CG ASP C 75 78.583 -9.241 -4.241 1.00 0.00 C ATOM 1129 OD1 ASP C 75 79.111 -10.043 -3.487 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.409 -9.281 -4.567 1.00 0.00 O ATOM 0 H ASP C 75 78.270 -5.940 -4.684 1.00 0.00 H new ATOM 0 HA ASP C 75 79.483 -7.520 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP C 75 78.935 -7.637 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.380 -8.523 -5.196 1.00 0.00 H new ATOM 1135 N GLU C 76 81.766 -6.591 -4.935 1.00 0.00 N ATOM 1136 CA GLU C 76 83.185 -6.269 -5.088 1.00 0.00 C ATOM 1137 C GLU C 76 83.617 -5.214 -4.074 1.00 0.00 C ATOM 1138 O GLU C 76 84.729 -5.258 -3.547 1.00 0.00 O ATOM 1139 CB GLU C 76 83.469 -5.742 -6.498 1.00 0.00 C ATOM 1140 CG GLU C 76 82.394 -4.725 -6.892 1.00 0.00 C ATOM 1141 CD GLU C 76 82.597 -4.304 -8.344 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.481 -3.500 -8.589 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.863 -4.791 -9.188 1.00 0.00 O ATOM 0 H GLU C 76 81.253 -6.681 -5.812 1.00 0.00 H new ATOM 0 HA GLU C 76 83.749 -7.186 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.454 -5.277 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.482 -6.567 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.403 -5.160 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.446 -3.854 -6.239 1.00 0.00 H new ATOM 1150 N PHE C 77 82.728 -4.262 -3.810 1.00 0.00 N ATOM 1151 CA PHE C 77 83.033 -3.195 -2.860 1.00 0.00 C ATOM 1152 C PHE C 77 83.653 -3.764 -1.587 1.00 0.00 C ATOM 1153 O PHE C 77 84.635 -3.233 -1.068 1.00 0.00 O ATOM 1154 CB PHE C 77 81.763 -2.418 -2.499 1.00 0.00 C ATOM 1155 CG PHE C 77 82.094 -1.311 -1.522 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.420 -0.892 -1.348 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.068 -0.701 -0.789 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.717 0.133 -0.442 1.00 0.00 C ATOM 1159 CE2 PHE C 77 81.366 0.324 0.116 1.00 0.00 C ATOM 1160 CZ PHE C 77 82.691 0.741 0.290 1.00 0.00 C ATOM 0 H PHE C 77 81.802 -4.206 -4.234 1.00 0.00 H new ATOM 0 HA PHE C 77 83.747 -2.521 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.316 -1.998 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.026 -3.092 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.213 -1.360 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.046 -1.022 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.739 0.455 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE C 77 80.574 0.793 0.680 1.00 0.00 H new ATOM 0 HZ PHE C 77 82.921 1.532 0.989 1.00 0.00 H new ATOM 1170 N LEU C 78 83.072 -4.852 -1.087 1.00 0.00 N ATOM 1171 CA LEU C 78 83.583 -5.482 0.129 1.00 0.00 C ATOM 1172 C LEU C 78 84.897 -6.202 -0.155 1.00 0.00 C ATOM 1173 O LEU C 78 85.931 -5.890 0.435 1.00 0.00 O ATOM 1174 CB LEU C 78 82.573 -6.489 0.685 1.00 0.00 C ATOM 1175 CG LEU C 78 81.880 -5.890 1.910 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.370 -5.844 1.670 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.175 -6.756 3.138 1.00 0.00 C ATOM 0 H LEU C 78 82.259 -5.311 -1.497 1.00 0.00 H new ATOM 0 HA LEU C 78 83.749 -4.696 0.866 1.00 0.00 H new ATOM 0 HB2 LEU C 78 81.835 -6.740 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.079 -7.416 0.956 1.00 0.00 H new ATOM 0 HG LEU C 78 82.252 -4.880 2.080 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.876 -5.417 2.543 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.159 -5.228 0.796 1.00 0.00 H new ATOM 0 HD13 LEU C 78 79.998 -6.854 1.500 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.681 -6.329 4.011 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.803 -7.766 2.968 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.251 -6.789 3.310 1.00 0.00 H new ATOM 1189 N VAL C 79 84.844 -7.171 -1.065 1.00 0.00 N ATOM 1190 CA VAL C 79 86.038 -7.931 -1.423 1.00 0.00 C ATOM 1191 C VAL C 79 87.258 -7.015 -1.453 1.00 0.00 C ATOM 1192 O VAL C 79 88.353 -7.401 -1.045 1.00 0.00 O ATOM 1193 CB VAL C 79 85.866 -8.582 -2.796 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.949 -9.642 -2.998 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.487 -9.241 -2.874 1.00 0.00 C ATOM 0 H VAL C 79 83.997 -7.446 -1.563 1.00 0.00 H new ATOM 0 HA VAL C 79 86.184 -8.707 -0.672 1.00 0.00 H new ATOM 0 HB VAL C 79 85.953 -7.823 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.826 -10.106 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.932 -9.174 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.862 -10.403 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.361 -9.706 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.402 -10.001 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.714 -8.486 -2.729 1.00 0.00 H new ATOM 1205 N MET C 80 87.051 -5.793 -1.936 1.00 0.00 N ATOM 1206 CA MET C 80 88.136 -4.819 -2.010 1.00 0.00 C ATOM 1207 C MET C 80 88.921 -4.813 -0.702 1.00 0.00 C ATOM 1208 O MET C 80 90.079 -5.229 -0.652 1.00 0.00 O ATOM 1209 CB MET C 80 87.575 -3.416 -2.269 1.00 0.00 C ATOM 1210 CG MET C 80 88.699 -2.378 -2.184 1.00 0.00 C ATOM 1211 SD MET C 80 89.503 -2.222 -3.799 1.00 0.00 S ATOM 1212 CE MET C 80 89.097 -0.483 -4.086 1.00 0.00 C ATOM 0 H MET C 80 86.151 -5.456 -2.279 1.00 0.00 H new ATOM 0 HA MET C 80 88.796 -5.099 -2.831 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.108 -3.378 -3.253 1.00 0.00 H new ATOM 0 HB3 MET C 80 86.799 -3.185 -1.539 1.00 0.00 H new ATOM 0 HG2 MET C 80 88.295 -1.415 -1.873 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.428 -2.677 -1.431 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.503 -0.393 -4.995 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.527 -0.098 -3.241 1.00 0.00 H new ATOM 0 HE3 MET C 80 90.016 0.092 -4.195 1.00 0.00 H new ATOM 1222 N MET C 81 88.273 -4.335 0.355 1.00 0.00 N ATOM 1223 CA MET C 81 88.911 -4.275 1.666 1.00 0.00 C ATOM 1224 C MET C 81 89.658 -5.571 1.958 1.00 0.00 C ATOM 1225 O MET C 81 90.886 -5.592 2.049 1.00 0.00 O ATOM 1226 CB MET C 81 87.863 -4.051 2.757 1.00 0.00 C ATOM 1227 CG MET C 81 87.884 -2.587 3.195 1.00 0.00 C ATOM 1228 SD MET C 81 86.370 -1.768 2.634 1.00 0.00 S ATOM 1229 CE MET C 81 86.763 -1.754 0.867 1.00 0.00 C ATOM 0 H MET C 81 87.315 -3.986 0.331 1.00 0.00 H new ATOM 0 HA MET C 81 89.616 -3.444 1.659 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.873 -4.316 2.385 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.066 -4.699 3.609 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.965 -2.522 4.280 1.00 0.00 H new ATOM 0 HG3 MET C 81 88.757 -2.084 2.780 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.340 -0.861 0.407 1.00 0.00 H new ATOM 0 HE2 MET C 81 87.845 -1.752 0.735 1.00 0.00 H new ATOM 0 HE3 MET C 81 86.341 -2.640 0.393 1.00 0.00 H new ATOM 1239 N VAL C 82 88.899 -6.653 2.106 1.00 0.00 N ATOM 1240 CA VAL C 82 89.490 -7.958 2.391 1.00 0.00 C ATOM 1241 C VAL C 82 90.709 -8.203 1.508 1.00 0.00 C ATOM 1242 O VAL C 82 91.651 -8.889 1.904 1.00 0.00 O ATOM 1243 CB VAL C 82 88.470 -9.071 2.148 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.963 -10.365 2.797 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.126 -8.674 2.761 1.00 0.00 C ATOM 0 H VAL C 82 87.882 -6.654 2.034 1.00 0.00 H new ATOM 0 HA VAL C 82 89.795 -7.964 3.437 1.00 0.00 H new ATOM 0 HB VAL C 82 88.349 -9.225 1.076 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.236 -11.159 2.624 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.921 -10.649 2.361 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.084 -10.211 3.869 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.399 -9.467 2.588 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.247 -8.520 3.833 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.774 -7.752 2.299 1.00 0.00 H new ATOM 1255 N ARG C 83 90.681 -7.637 0.304 1.00 0.00 N ATOM 1256 CA ARG C 83 91.792 -7.806 -0.629 1.00 0.00 C ATOM 1257 C ARG C 83 92.922 -6.834 -0.300 1.00 0.00 C ATOM 1258 O ARG C 83 94.100 -7.159 -0.444 1.00 0.00 O ATOM 1259 CB ARG C 83 91.329 -7.564 -2.067 1.00 0.00 C ATOM 1260 CG ARG C 83 90.707 -8.845 -2.626 1.00 0.00 C ATOM 1261 CD ARG C 83 90.448 -8.677 -4.124 1.00 0.00 C ATOM 1262 NE ARG C 83 90.591 -9.954 -4.820 1.00 0.00 N ATOM 1263 CZ ARG C 83 90.068 -10.139 -6.028 1.00 0.00 C ATOM 1264 NH1 ARG C 83 89.408 -9.173 -6.609 1.00 0.00 N ATOM 1265 NH2 ARG C 83 90.216 -11.285 -6.634 1.00 0.00 N ATOM 0 H ARG C 83 89.912 -7.065 -0.045 1.00 0.00 H new ATOM 0 HA ARG C 83 92.155 -8.829 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.602 -6.752 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.173 -7.257 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG C 83 91.374 -9.690 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG C 83 89.774 -9.065 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG C 83 89.445 -8.281 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.146 -7.951 -4.540 1.00 0.00 H new ATOM 0 HE ARG C 83 91.100 -10.716 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.294 -8.277 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.007 -9.315 -7.536 1.00 0.00 H new ATOM 0 HH21 ARG C 83 90.733 -12.039 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG C 83 89.815 -11.427 -7.561 1.00 0.00 H new ATOM 1279 N CYS C 84 92.549 -5.637 0.143 1.00 0.00 N ATOM 1280 CA CYS C 84 93.540 -4.622 0.489 1.00 0.00 C ATOM 1281 C CYS C 84 94.106 -4.882 1.882 1.00 0.00 C ATOM 1282 O CYS C 84 95.298 -4.697 2.128 1.00 0.00 O ATOM 1283 CB CYS C 84 92.914 -3.226 0.459 1.00 0.00 C ATOM 1284 SG CYS C 84 91.877 -3.061 -1.015 1.00 0.00 S ATOM 0 H CYS C 84 91.579 -5.348 0.270 1.00 0.00 H new ATOM 0 HA CYS C 84 94.343 -4.674 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.317 -3.064 1.357 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.695 -2.466 0.454 1.00 0.00 H new ATOM 0 HG CYS C 84 91.195 -4.154 -1.190 1.00 0.00 H new ATOM 1290 N MET C 85 93.235 -5.312 2.791 1.00 0.00 N ATOM 1291 CA MET C 85 93.655 -5.596 4.161 1.00 0.00 C ATOM 1292 C MET C 85 94.857 -6.535 4.167 1.00 0.00 C ATOM 1293 O MET C 85 95.713 -6.465 5.049 1.00 0.00 O ATOM 1294 CB MET C 85 92.513 -6.244 4.949 1.00 0.00 C ATOM 1295 CG MET C 85 91.261 -5.370 4.850 1.00 0.00 C ATOM 1296 SD MET C 85 91.033 -4.462 6.399 1.00 0.00 S ATOM 1297 CE MET C 85 89.378 -3.825 6.043 1.00 0.00 C ATOM 0 H MET C 85 92.244 -5.470 2.607 1.00 0.00 H new ATOM 0 HA MET C 85 93.929 -4.651 4.630 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.306 -7.240 4.556 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.802 -6.367 5.993 1.00 0.00 H new ATOM 0 HG2 MET C 85 91.357 -4.672 4.018 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.387 -5.990 4.648 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.953 -3.391 6.948 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.441 -3.060 5.269 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.741 -4.639 5.698 1.00 0.00 H new ATOM 1307 N LYS C 86 94.909 -7.416 3.172 1.00 0.00 N ATOM 1308 CA LYS C 86 96.010 -8.370 3.068 1.00 0.00 C ATOM 1309 C LYS C 86 97.070 -7.859 2.099 1.00 0.00 C ATOM 1310 O LYS C 86 96.910 -7.940 0.881 1.00 0.00 O ATOM 1311 CB LYS C 86 95.500 -9.726 2.575 1.00 0.00 C ATOM 1312 CG LYS C 86 94.182 -10.062 3.274 1.00 0.00 C ATOM 1313 CD LYS C 86 93.548 -11.285 2.608 1.00 0.00 C ATOM 1314 CE LYS C 86 92.874 -12.154 3.671 1.00 0.00 C ATOM 1315 NZ LYS C 86 92.845 -13.571 3.211 1.00 0.00 N ATOM 0 H LYS C 86 94.210 -7.490 2.433 1.00 0.00 H new ATOM 0 HA LYS C 86 96.448 -8.484 4.060 1.00 0.00 H new ATOM 0 HB2 LYS C 86 95.355 -9.701 1.495 1.00 0.00 H new ATOM 0 HB3 LYS C 86 96.240 -10.500 2.779 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.359 -10.261 4.331 1.00 0.00 H new ATOM 0 HG3 LYS C 86 93.502 -9.212 3.220 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.816 -10.969 1.864 1.00 0.00 H new ATOM 0 HD3 LYS C 86 94.309 -11.861 2.082 1.00 0.00 H new ATOM 0 HE2 LYS C 86 93.415 -12.078 4.614 1.00 0.00 H new ATOM 0 HE3 LYS C 86 91.860 -11.800 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 92.387 -14.161 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 92.311 -13.636 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 93.817 -13.906 3.056 1.00 0.00 H new ATOM 1329 N ASP C 87 98.157 -7.332 2.655 1.00 0.00 N ATOM 1330 CA ASP C 87 99.244 -6.809 1.833 1.00 0.00 C ATOM 1331 C ASP C 87 98.740 -5.690 0.928 1.00 0.00 C ATOM 1332 O ASP C 87 98.901 -5.739 -0.292 1.00 0.00 O ATOM 1333 CB ASP C 87 99.842 -7.920 0.966 1.00 0.00 C ATOM 1334 CG ASP C 87 101.192 -8.340 1.537 1.00 0.00 C ATOM 1335 OD1 ASP C 87 101.885 -7.482 2.059 1.00 0.00 O ATOM 1336 OD2 ASP C 87 101.514 -9.512 1.442 1.00 0.00 O ATOM 0 H ASP C 87 98.308 -7.256 3.661 1.00 0.00 H new ATOM 0 HA ASP C 87 100.011 -6.417 2.501 1.00 0.00 H new ATOM 0 HB2 ASP C 87 99.167 -8.775 0.935 1.00 0.00 H new ATOM 0 HB3 ASP C 87 99.962 -7.571 -0.060 1.00 0.00 H new ATOM 1341 N ASP C 88 98.128 -4.679 1.539 1.00 0.00 N ATOM 1342 CA ASP C 88 97.603 -3.548 0.778 1.00 0.00 C ATOM 1343 C ASP C 88 98.622 -3.090 -0.262 1.00 0.00 C ATOM 1344 O ASP C 88 99.692 -2.584 0.077 1.00 0.00 O ATOM 1345 CB ASP C 88 97.282 -2.377 1.708 1.00 0.00 C ATOM 1346 CG ASP C 88 96.623 -1.258 0.908 1.00 0.00 C ATOM 1347 OD1 ASP C 88 95.599 -1.517 0.299 1.00 0.00 O ATOM 1348 OD2 ASP C 88 97.153 -0.159 0.916 1.00 0.00 O ATOM 0 H ASP C 88 97.984 -4.619 2.547 1.00 0.00 H new ATOM 0 HA ASP C 88 96.691 -3.873 0.278 1.00 0.00 H new ATOM 0 HB2 ASP C 88 96.619 -2.706 2.508 1.00 0.00 H new ATOM 0 HB3 ASP C 88 98.195 -2.013 2.180 1.00 0.00 H new ATOM 1353 N SER C 89 98.276 -3.274 -1.532 1.00 0.00 N ATOM 1354 CA SER C 89 99.167 -2.877 -2.620 1.00 0.00 C ATOM 1355 C SER C 89 98.405 -2.068 -3.666 1.00 0.00 C ATOM 1356 O SER C 89 97.213 -2.286 -3.802 1.00 0.00 O ATOM 1357 CB SER C 89 99.775 -4.108 -3.293 1.00 0.00 C ATOM 1358 OG SER C 89 98.782 -5.119 -3.408 1.00 0.00 O ATOM 1359 OXT SER C 89 99.027 -1.244 -4.316 1.00 0.00 O ATOM 0 H SER C 89 97.395 -3.691 -1.833 1.00 0.00 H new ATOM 0 HA SER C 89 99.963 -2.266 -2.194 1.00 0.00 H new ATOM 0 HB2 SER C 89 100.159 -3.845 -4.279 1.00 0.00 H new ATOM 0 HB3 SER C 89 100.619 -4.476 -2.710 1.00 0.00 H new ATOM 0 HG SER C 89 98.668 -5.565 -2.543 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 147 96.408 1.024 3.245 1.00 0.00 N ATOM 1367 CA ARG I 147 95.889 0.237 4.401 1.00 0.00 C ATOM 1368 C ARG I 147 94.524 0.777 4.813 1.00 0.00 C ATOM 1369 O ARG I 147 94.425 1.763 5.543 1.00 0.00 O ATOM 1370 CB ARG I 147 96.857 0.359 5.578 1.00 0.00 C ATOM 1371 CG ARG I 147 96.453 -0.629 6.673 1.00 0.00 C ATOM 1372 CD ARG I 147 97.643 -1.529 7.007 1.00 0.00 C ATOM 1373 NE ARG I 147 98.269 -1.107 8.258 1.00 0.00 N ATOM 1374 CZ ARG I 147 99.560 -1.332 8.501 1.00 0.00 C ATOM 1375 NH1 ARG I 147 100.299 -1.954 7.622 1.00 0.00 N ATOM 1376 NH2 ARG I 147 100.087 -0.932 9.626 1.00 0.00 N ATOM 0 HA ARG I 147 95.796 -0.810 4.112 1.00 0.00 H new ATOM 0 HB2 ARG I 147 97.876 0.156 5.248 1.00 0.00 H new ATOM 0 HB3 ARG I 147 96.845 1.377 5.969 1.00 0.00 H new ATOM 0 HG2 ARG I 147 96.129 -0.090 7.563 1.00 0.00 H new ATOM 0 HG3 ARG I 147 95.608 -1.232 6.341 1.00 0.00 H new ATOM 0 HD2 ARG I 147 97.311 -2.564 7.091 1.00 0.00 H new ATOM 0 HD3 ARG I 147 98.373 -1.492 6.198 1.00 0.00 H new ATOM 0 HE ARG I 147 97.705 -0.629 8.961 1.00 0.00 H new ATOM 0 HH11 ARG I 147 99.889 -2.271 6.743 1.00 0.00 H new ATOM 0 HH12 ARG I 147 101.286 -2.123 7.814 1.00 0.00 H new ATOM 0 HH21 ARG I 147 99.511 -0.449 10.316 1.00 0.00 H new ATOM 0 HH22 ARG I 147 101.075 -1.102 9.816 1.00 0.00 H new ATOM 1392 N ILE I 148 93.472 0.116 4.340 1.00 0.00 N ATOM 1393 CA ILE I 148 92.113 0.537 4.667 1.00 0.00 C ATOM 1394 C ILE I 148 91.953 0.690 6.177 1.00 0.00 C ATOM 1395 O ILE I 148 92.073 -0.276 6.931 1.00 0.00 O ATOM 1396 CB ILE I 148 91.101 -0.490 4.158 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.128 -0.508 2.627 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.699 -0.112 4.642 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.449 0.752 2.086 1.00 0.00 C ATOM 0 H ILE I 148 93.532 -0.704 3.736 1.00 0.00 H new ATOM 0 HA ILE I 148 91.930 1.497 4.184 1.00 0.00 H new ATOM 0 HB ILE I 148 91.359 -1.478 4.540 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.157 -0.559 2.272 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.618 -1.396 2.255 1.00 0.00 H new ATOM 0 HG21 ILE I 148 88.979 -0.845 4.278 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.682 -0.096 5.732 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.436 0.875 4.261 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.469 0.737 0.996 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.415 0.784 2.429 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.978 1.634 2.447 1.00 0.00 H new ATOM 1411 N SER I 149 91.684 1.920 6.608 1.00 0.00 N ATOM 1412 CA SER I 149 91.512 2.197 8.032 1.00 0.00 C ATOM 1413 C SER I 149 90.031 2.262 8.388 1.00 0.00 C ATOM 1414 O SER I 149 89.288 3.096 7.869 1.00 0.00 O ATOM 1415 CB SER I 149 92.169 3.528 8.402 1.00 0.00 C ATOM 1416 OG SER I 149 92.485 3.525 9.788 1.00 0.00 O ATOM 0 H SER I 149 91.581 2.732 6.000 1.00 0.00 H new ATOM 0 HA SER I 149 91.986 1.389 8.590 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.073 3.678 7.811 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.497 4.355 8.172 1.00 0.00 H new ATOM 0 HG SER I 149 92.908 4.376 10.029 1.00 0.00 H new ATOM 1422 N ALA I 150 89.611 1.375 9.284 1.00 0.00 N ATOM 1423 CA ALA I 150 88.216 1.342 9.708 1.00 0.00 C ATOM 1424 C ALA I 150 87.909 2.546 10.592 1.00 0.00 C ATOM 1425 O ALA I 150 86.775 3.019 10.652 1.00 0.00 O ATOM 1426 CB ALA I 150 87.918 0.058 10.484 1.00 0.00 C ATOM 0 H ALA I 150 90.209 0.677 9.726 1.00 0.00 H new ATOM 0 HA ALA I 150 87.589 1.372 8.817 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.872 0.053 10.791 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.113 -0.805 9.848 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.556 0.010 11.367 1.00 0.00 H new ATOM 1432 N ASP I 151 88.940 3.040 11.273 1.00 0.00 N ATOM 1433 CA ASP I 151 88.776 4.196 12.148 1.00 0.00 C ATOM 1434 C ASP I 151 88.448 5.437 11.324 1.00 0.00 C ATOM 1435 O ASP I 151 87.710 6.318 11.765 1.00 0.00 O ATOM 1436 CB ASP I 151 90.055 4.450 12.947 1.00 0.00 C ATOM 1437 CG ASP I 151 89.707 5.140 14.261 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.463 6.335 14.234 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.691 4.463 15.276 1.00 0.00 O ATOM 0 H ASP I 151 89.887 2.663 11.237 1.00 0.00 H new ATOM 0 HA ASP I 151 87.958 3.987 12.837 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.567 3.508 13.143 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.740 5.070 12.369 1.00 0.00 H new ATOM 1444 N ALA I 152 89.003 5.491 10.116 1.00 0.00 N ATOM 1445 CA ALA I 152 88.761 6.624 9.228 1.00 0.00 C ATOM 1446 C ALA I 152 87.330 6.590 8.706 1.00 0.00 C ATOM 1447 O ALA I 152 86.598 7.576 8.790 1.00 0.00 O ATOM 1448 CB ALA I 152 89.723 6.591 8.039 1.00 0.00 C ATOM 0 H ALA I 152 89.617 4.772 9.733 1.00 0.00 H new ATOM 0 HA ALA I 152 88.922 7.539 9.799 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.527 7.443 7.389 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.750 6.639 8.401 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.578 5.667 7.479 1.00 0.00 H new ATOM 1454 N MET I 153 86.941 5.442 8.159 1.00 0.00 N ATOM 1455 CA MET I 153 85.593 5.285 7.618 1.00 0.00 C ATOM 1456 C MET I 153 84.555 5.776 8.621 1.00 0.00 C ATOM 1457 O MET I 153 83.661 6.550 8.282 1.00 0.00 O ATOM 1458 CB MET I 153 85.312 3.817 7.290 1.00 0.00 C ATOM 1459 CG MET I 153 85.754 3.519 5.857 1.00 0.00 C ATOM 1460 SD MET I 153 85.697 1.732 5.571 1.00 0.00 S ATOM 1461 CE MET I 153 85.379 1.791 3.790 1.00 0.00 C ATOM 0 H MET I 153 87.532 4.615 8.078 1.00 0.00 H new ATOM 0 HA MET I 153 85.528 5.879 6.706 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.844 3.170 7.987 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.249 3.605 7.405 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.103 4.033 5.149 1.00 0.00 H new ATOM 0 HG3 MET I 153 86.764 3.893 5.691 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.345 1.506 3.595 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.552 2.803 3.423 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.048 1.100 3.278 1.00 0.00 H new ATOM 1471 N MET I 154 84.683 5.312 9.861 1.00 0.00 N ATOM 1472 CA MET I 154 83.747 5.705 10.910 1.00 0.00 C ATOM 1473 C MET I 154 83.456 7.200 10.838 1.00 0.00 C ATOM 1474 O MET I 154 82.323 7.635 11.046 1.00 0.00 O ATOM 1475 CB MET I 154 84.316 5.372 12.290 1.00 0.00 C ATOM 1476 CG MET I 154 83.604 4.136 12.845 1.00 0.00 C ATOM 1477 SD MET I 154 82.818 4.550 14.422 1.00 0.00 S ATOM 1478 CE MET I 154 81.257 5.163 13.743 1.00 0.00 C ATOM 0 H MET I 154 85.417 4.671 10.162 1.00 0.00 H new ATOM 0 HA MET I 154 82.822 5.150 10.756 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.388 5.187 12.219 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.182 6.217 12.965 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.856 3.785 12.135 1.00 0.00 H new ATOM 0 HG3 MET I 154 84.318 3.324 12.984 1.00 0.00 H new ATOM 0 HE1 MET I 154 80.605 5.479 14.557 1.00 0.00 H new ATOM 0 HE2 MET I 154 81.454 6.010 13.086 1.00 0.00 H new ATOM 0 HE3 MET I 154 80.770 4.369 13.176 1.00 0.00 H new ATOM 1488 N GLN I 155 84.488 7.985 10.541 1.00 0.00 N ATOM 1489 CA GLN I 155 84.322 9.433 10.444 1.00 0.00 C ATOM 1490 C GLN I 155 83.149 9.768 9.530 1.00 0.00 C ATOM 1491 O GLN I 155 82.289 10.581 9.870 1.00 0.00 O ATOM 1492 CB GLN I 155 85.591 10.087 9.893 1.00 0.00 C ATOM 1493 CG GLN I 155 86.710 9.983 10.931 1.00 0.00 C ATOM 1494 CD GLN I 155 86.885 11.327 11.630 1.00 0.00 C ATOM 1495 OE1 GLN I 155 88.008 11.745 11.911 1.00 0.00 O ATOM 1496 NE2 GLN I 155 85.832 12.036 11.930 1.00 0.00 N ATOM 0 H GLN I 155 85.435 7.650 10.365 1.00 0.00 H new ATOM 0 HA GLN I 155 84.128 9.819 11.445 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.893 9.597 8.967 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.399 11.133 9.653 1.00 0.00 H new ATOM 0 HG2 GLN I 155 86.472 9.210 11.662 1.00 0.00 H new ATOM 0 HG3 GLN I 155 87.642 9.689 10.448 1.00 0.00 H new ATOM 0 HE21 GLN I 155 84.901 11.690 11.697 1.00 0.00 H new ATOM 0 HE22 GLN I 155 85.940 12.936 12.397 1.00 0.00 H new ATOM 1505 N ALA I 156 83.119 9.124 8.367 1.00 0.00 N ATOM 1506 CA ALA I 156 82.041 9.349 7.407 1.00 0.00 C ATOM 1507 C ALA I 156 80.743 8.726 7.909 1.00 0.00 C ATOM 1508 O ALA I 156 79.688 8.872 7.291 1.00 0.00 O ATOM 1509 CB ALA I 156 82.394 8.729 6.054 1.00 0.00 C ATOM 0 H ALA I 156 83.822 8.448 8.067 1.00 0.00 H new ATOM 0 HA ALA I 156 81.910 10.425 7.294 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.581 8.905 5.350 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.309 9.183 5.673 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.544 7.656 6.174 1.00 0.00 H new ATOM 1515 N LEU I 157 80.834 8.019 9.032 1.00 0.00 N ATOM 1516 CA LEU I 157 79.666 7.362 9.606 1.00 0.00 C ATOM 1517 C LEU I 157 79.260 8.052 10.906 1.00 0.00 C ATOM 1518 O LEU I 157 78.842 7.404 11.866 1.00 0.00 O ATOM 1519 CB LEU I 157 79.978 5.890 9.896 1.00 0.00 C ATOM 1520 CG LEU I 157 80.010 5.082 8.590 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.705 5.880 7.482 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.781 3.781 8.823 1.00 0.00 C ATOM 0 H LEU I 157 81.698 7.887 9.558 1.00 0.00 H new ATOM 0 HA LEU I 157 78.847 7.426 8.889 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.938 5.809 10.405 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.225 5.478 10.568 1.00 0.00 H new ATOM 0 HG LEU I 157 78.986 4.867 8.285 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.719 5.292 6.564 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.164 6.810 7.309 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.728 6.106 7.783 1.00 0.00 H new ATOM 0 HD21 LEU I 157 80.807 3.203 7.899 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.799 4.012 9.135 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.287 3.199 9.601 1.00 0.00 H new ATOM 1534 N LEU I 158 79.390 9.376 10.924 1.00 0.00 N ATOM 1535 CA LEU I 158 79.038 10.152 12.110 1.00 0.00 C ATOM 1536 C LEU I 158 77.533 10.105 12.353 1.00 0.00 C ATOM 1537 O LEU I 158 76.850 11.129 12.316 1.00 0.00 O ATOM 1538 CB LEU I 158 79.475 11.610 11.945 1.00 0.00 C ATOM 1539 CG LEU I 158 78.822 12.202 10.695 1.00 0.00 C ATOM 1540 CD1 LEU I 158 78.138 13.522 11.052 1.00 0.00 C ATOM 1541 CD2 LEU I 158 79.895 12.458 9.634 1.00 0.00 C ATOM 0 H LEU I 158 79.733 9.930 10.139 1.00 0.00 H new ATOM 0 HA LEU I 158 79.555 9.714 12.964 1.00 0.00 H new ATOM 0 HB2 LEU I 158 79.190 12.187 12.825 1.00 0.00 H new ATOM 0 HB3 LEU I 158 80.560 11.668 11.863 1.00 0.00 H new ATOM 0 HG LEU I 158 78.082 11.502 10.306 1.00 0.00 H new ATOM 0 HD11 LEU I 158 77.673 13.943 10.161 1.00 0.00 H new ATOM 0 HD12 LEU I 158 77.375 13.343 11.810 1.00 0.00 H new ATOM 0 HD13 LEU I 158 78.878 14.222 11.440 1.00 0.00 H new ATOM 0 HD21 LEU I 158 79.432 12.880 8.742 1.00 0.00 H new ATOM 0 HD22 LEU I 158 80.634 13.158 10.025 1.00 0.00 H new ATOM 0 HD23 LEU I 158 80.385 11.519 9.378 1.00 0.00 H new ATOM 1553 N GLY I 159 77.026 8.901 12.605 1.00 0.00 N ATOM 1554 CA GLY I 159 75.599 8.720 12.858 1.00 0.00 C ATOM 1555 C GLY I 159 74.773 9.117 11.640 1.00 0.00 C ATOM 1556 O GLY I 159 74.202 8.268 10.955 1.00 0.00 O ATOM 0 H GLY I 159 77.576 8.043 12.639 1.00 0.00 H new ATOM 0 HA2 GLY I 159 75.400 7.679 13.113 1.00 0.00 H new ATOM 0 HA3 GLY I 159 75.299 9.321 13.717 1.00 0.00 H new ATOM 1560 N ALA I 160 74.712 10.420 11.379 1.00 0.00 N ATOM 1561 CA ALA I 160 73.947 10.923 10.242 1.00 0.00 C ATOM 1562 C ALA I 160 72.455 10.690 10.465 1.00 0.00 C ATOM 1563 O ALA I 160 71.698 11.624 10.731 1.00 0.00 O ATOM 1564 CB ALA I 160 74.375 10.218 8.954 1.00 0.00 C ATOM 0 H ALA I 160 75.177 11.140 11.932 1.00 0.00 H new ATOM 0 HA ALA I 160 74.141 11.992 10.150 1.00 0.00 H new ATOM 0 HB1 ALA I 160 73.794 10.605 8.117 1.00 0.00 H new ATOM 0 HB2 ALA I 160 75.435 10.399 8.775 1.00 0.00 H new ATOM 0 HB3 ALA I 160 74.201 9.146 9.051 1.00 0.00 H new ATOM 1570 N ARG I 161 72.044 9.430 10.355 1.00 0.00 N ATOM 1571 CA ARG I 161 70.641 9.076 10.548 1.00 0.00 C ATOM 1572 C ARG I 161 70.379 8.723 12.010 1.00 0.00 C ATOM 1573 O ARG I 161 69.892 7.637 12.326 1.00 0.00 O ATOM 1574 CB ARG I 161 70.264 7.881 9.669 1.00 0.00 C ATOM 1575 CG ARG I 161 68.858 8.086 9.104 1.00 0.00 C ATOM 1576 CD ARG I 161 68.378 6.793 8.444 1.00 0.00 C ATOM 1577 NE ARG I 161 67.672 7.082 7.199 1.00 0.00 N ATOM 1578 CZ ARG I 161 67.009 6.130 6.550 1.00 0.00 C ATOM 1579 NH1 ARG I 161 66.975 4.916 7.029 1.00 0.00 N ATOM 1580 NH2 ARG I 161 66.391 6.409 5.435 1.00 0.00 N ATOM 0 H ARG I 161 72.656 8.644 10.135 1.00 0.00 H new ATOM 0 HA ARG I 161 70.034 9.936 10.267 1.00 0.00 H new ATOM 0 HB2 ARG I 161 70.982 7.773 8.856 1.00 0.00 H new ATOM 0 HB3 ARG I 161 70.302 6.961 10.252 1.00 0.00 H new ATOM 0 HG2 ARG I 161 68.173 8.375 9.901 1.00 0.00 H new ATOM 0 HG3 ARG I 161 68.862 8.898 8.377 1.00 0.00 H new ATOM 0 HD2 ARG I 161 69.230 6.143 8.243 1.00 0.00 H new ATOM 0 HD3 ARG I 161 67.720 6.254 9.125 1.00 0.00 H new ATOM 0 HE ARG I 161 67.688 8.029 6.821 1.00 0.00 H new ATOM 0 HH11 ARG I 161 67.457 4.698 7.901 1.00 0.00 H new ATOM 0 HH12 ARG I 161 66.466 4.185 6.531 1.00 0.00 H new ATOM 0 HH21 ARG I 161 66.417 7.358 5.061 1.00 0.00 H new ATOM 0 HH22 ARG I 161 65.882 5.678 4.937 1.00 0.00 H new ATOM 1594 N ALA I 162 70.709 9.658 12.897 1.00 0.00 N ATOM 1595 CA ALA I 162 70.508 9.444 14.328 1.00 0.00 C ATOM 1596 C ALA I 162 70.415 10.782 15.054 1.00 0.00 C ATOM 1597 O ALA I 162 71.390 11.527 15.142 1.00 0.00 O ATOM 1598 CB ALA I 162 71.667 8.638 14.917 1.00 0.00 C ATOM 0 H ALA I 162 71.113 10.563 12.654 1.00 0.00 H new ATOM 0 HA ALA I 162 69.578 8.890 14.460 1.00 0.00 H new ATOM 0 HB1 ALA I 162 71.501 8.488 15.984 1.00 0.00 H new ATOM 0 HB2 ALA I 162 71.727 7.670 14.419 1.00 0.00 H new ATOM 0 HB3 ALA I 162 72.600 9.181 14.768 1.00 0.00 H new ATOM 1604 N LYS I 163 69.227 11.078 15.574 1.00 0.00 N ATOM 1605 CA LYS I 163 69.011 12.331 16.292 1.00 0.00 C ATOM 1606 C LYS I 163 69.000 13.506 15.319 1.00 0.00 C ATOM 1607 O LYS I 163 68.454 14.538 15.672 1.00 0.00 O ATOM 1608 CB LYS I 163 70.115 12.554 17.329 1.00 0.00 C ATOM 1609 CG LYS I 163 69.488 12.991 18.654 1.00 0.00 C ATOM 1610 CD LYS I 163 70.532 13.725 19.497 1.00 0.00 C ATOM 1611 CE LYS I 163 70.183 13.586 20.980 1.00 0.00 C ATOM 1612 NZ LYS I 163 70.410 12.177 21.414 1.00 0.00 N ATOM 1613 OXT LYS I 163 69.540 13.357 14.235 1.00 0.00 O ATOM 0 H LYS I 163 68.407 10.475 15.513 1.00 0.00 H new ATOM 0 HA LYS I 163 68.047 12.266 16.798 1.00 0.00 H new ATOM 0 HB2 LYS I 163 70.687 11.637 17.470 1.00 0.00 H new ATOM 0 HB3 LYS I 163 70.812 13.314 16.976 1.00 0.00 H new ATOM 0 HG2 LYS I 163 68.634 13.642 18.467 1.00 0.00 H new ATOM 0 HG3 LYS I 163 69.114 12.122 19.195 1.00 0.00 H new ATOM 0 HD2 LYS I 163 71.523 13.314 19.306 1.00 0.00 H new ATOM 0 HD3 LYS I 163 70.565 14.778 19.218 1.00 0.00 H new ATOM 0 HE2 LYS I 163 70.796 14.264 21.574 1.00 0.00 H new ATOM 0 HE3 LYS I 163 69.143 13.867 21.148 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 70.624 12.157 22.432 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 69.555 11.615 21.229 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 71.210 11.775 20.884 1.00 0.00 H new TER 1627 LYS I 163 HETATM 1628 CA CA C 93 82.864 -3.340 -11.315 1.00 0.00 CA HETATM 1629 C1 BEP C 92 90.405 3.279 -0.408 1.00 0.00 C HETATM 1630 C2 BEP C 92 90.565 2.061 -1.320 1.00 0.00 C HETATM 1631 C3 BEP C 92 89.401 1.034 -1.082 1.00 0.00 C HETATM 1632 O1 BEP C 92 91.701 3.677 0.102 1.00 0.00 O HETATM 1633 N2 BEP C 92 91.892 1.415 -1.091 1.00 0.00 N HETATM 1634 N3 BEP C 92 88.072 1.709 -1.052 1.00 0.00 N HETATM 1635 C4 BEP C 92 91.681 4.340 1.392 1.00 0.00 C HETATM 1636 C5 BEP C 92 92.766 3.736 2.287 1.00 0.00 C HETATM 1637 C6 BEP C 92 93.527 4.859 2.993 1.00 0.00 C HETATM 1638 C7 BEP C 92 93.738 2.920 1.433 1.00 0.00 C HETATM 1639 C8 BEP C 92 91.964 -0.073 -1.065 1.00 0.00 C HETATM 1640 C9 BEP C 92 93.294 -0.432 -1.750 1.00 0.00 C HETATM 1641 C10 BEP C 92 94.108 0.868 -1.685 1.00 0.00 C HETATM 1642 C11 BEP C 92 93.063 1.960 -1.818 1.00 0.00 C HETATM 1643 C12 BEP C 92 87.345 1.746 0.248 1.00 0.00 C HETATM 1644 C13 BEP C 92 87.013 3.146 0.822 1.00 0.00 C HETATM 1645 C14 BEP C 92 85.834 3.798 0.438 1.00 0.00 C HETATM 1646 C15 BEP C 92 85.533 5.063 0.957 1.00 0.00 C HETATM 1647 C16 BEP C 92 86.411 5.677 1.858 1.00 0.00 C HETATM 1648 C17 BEP C 92 87.591 5.026 2.243 1.00 0.00 C HETATM 1649 C18 BEP C 92 87.892 3.761 1.724 1.00 0.00 C HETATM 1650 C19 BEP C 92 87.234 1.561 -2.263 1.00 0.00 C HETATM 1651 C20 BEP C 92 87.379 2.458 -3.330 1.00 0.00 C HETATM 1652 C21 BEP C 92 86.587 2.318 -4.477 1.00 0.00 C HETATM 1653 C22 BEP C 92 85.649 1.280 -4.557 1.00 0.00 C HETATM 1654 C23 BEP C 92 85.505 0.382 -3.492 1.00 0.00 C HETATM 1655 C24 BEP C 92 86.297 0.522 -2.345 1.00 0.00 C HETATM 0 H241 BEP C 92 86.185 -0.177 -1.516 1.00 0.00 H new HETATM 0 H231 BEP C 92 84.776 -0.426 -3.556 1.00 0.00 H new HETATM 0 H221 BEP C 92 85.031 1.171 -5.448 1.00 0.00 H new HETATM 0 H211 BEP C 92 86.700 3.016 -5.307 1.00 0.00 H new HETATM 0 H201 BEP C 92 88.109 3.265 -3.267 1.00 0.00 H new HETATM 0 H181 BEP C 92 88.810 3.254 2.021 1.00 0.00 H new HETATM 0 H171 BEP C 92 88.274 5.504 2.946 1.00 0.00 H new HETATM 0 H161 BEP C 92 86.177 6.662 2.261 1.00 0.00 H new HETATM 0 H151 BEP C 92 84.615 5.570 0.659 1.00 0.00 H new HETATM 0 H141 BEP C 92 85.151 3.321 -0.265 1.00 0.00 H new HETATM 0 H122 BEP C 92 86.411 1.196 0.131 1.00 0.00 H new HETATM 0 H121 BEP C 92 87.941 1.209 0.986 1.00 0.00 H new HETATM 0 H112 BEP C 92 92.827 2.163 -2.862 1.00 0.00 H new HETATM 0 H111 BEP C 92 93.405 2.898 -1.380 1.00 0.00 H new HETATM 0 H102 BEP C 92 94.655 0.950 -0.746 1.00 0.00 H new HETATM 0 H101 BEP C 92 94.844 0.919 -2.488 1.00 0.00 H new HETATM 0 H92 BEP C 92 93.802 -1.247 -1.234 1.00 0.00 H new HETATM 0 H91 BEP C 92 93.138 -0.755 -2.780 1.00 0.00 H new HETATM 0 H82 BEP C 92 91.935 -0.450 -0.043 1.00 0.00 H new HETATM 0 H81 BEP C 92 91.119 -0.516 -1.592 1.00 0.00 H new HETATM 0 H73 BEP C 92 93.196 2.119 0.930 1.00 0.00 H new HETATM 0 H72 BEP C 92 94.201 3.568 0.689 1.00 0.00 H new HETATM 0 H71 BEP C 92 94.510 2.490 2.071 1.00 0.00 H new HETATM 0 H63 BEP C 92 93.989 5.509 2.250 1.00 0.00 H new HETATM 0 H62 BEP C 92 92.835 5.440 3.603 1.00 0.00 H new HETATM 0 H61 BEP C 92 94.300 4.430 3.631 1.00 0.00 H new HETATM 0 H51 BEP C 92 92.303 3.087 3.030 1.00 0.00 H new HETATM 0 H42 BEP C 92 91.850 5.410 1.267 1.00 0.00 H new HETATM 0 H41 BEP C 92 90.703 4.224 1.858 1.00 0.00 H new HETATM 0 H32 BEP C 92 89.411 0.283 -1.872 1.00 0.00 H new HETATM 0 H31 BEP C 92 89.565 0.509 -0.141 1.00 0.00 H new HETATM 0 H21 BEP C 92 90.516 2.395 -2.356 1.00 0.00 H new HETATM 0 H12 BEP C 92 89.952 4.102 -0.960 1.00 0.00 H new HETATM 0 H11 BEP C 92 89.735 3.042 0.418 1.00 0.00 H new