USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0459 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 4 GLN : amide:sc=-0.00865 K(o=-0.0086,f=-2.2!) USER MOD Single : A 5 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.7!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.9) USER MOD Single : A 23 ASN : amide:sc= 0.522 X(o=0.52,f=0.28) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.16) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 1.25 (180deg=0.16) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.21) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 68 SER OG : rot 72:sc= 0.438 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 72:sc= 0.135 USER MOD Single : A 73 SER OG : rot -89:sc= 0.127 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -32:sc= 1.15 USER MOD Single : A 80 GLN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -25:sc= 0.076 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00216 X(o=-0.0022,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0252 K(o=-0.025,f=-0.58) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.901 F(o=-1.5,f=-0.9) USER MOD Single : A 122 LYS NZ :NH3+ -152:sc= -0.489 (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.786 -17.698 -6.693 1.00 45.03 N ATOM 2 CA GLY A 1 25.392 -18.299 -5.418 1.00 74.44 C ATOM 3 C GLY A 1 25.090 -17.195 -4.434 1.00 4.22 C ATOM 4 O GLY A 1 25.810 -16.196 -4.412 1.00 71.15 O ATOM 0 H1 GLY A 1 26.604 -18.210 -7.080 1.00 45.03 H new ATOM 0 H2 GLY A 1 24.993 -17.755 -7.364 1.00 45.03 H new ATOM 0 H3 GLY A 1 26.041 -16.701 -6.543 1.00 45.03 H new ATOM 0 HA2 GLY A 1 24.516 -18.933 -5.554 1.00 74.44 H new ATOM 0 HA3 GLY A 1 26.191 -18.936 -5.038 1.00 74.44 H new ATOM 8 N SER A 2 24.034 -17.342 -3.633 1.00 73.14 N ATOM 9 CA SER A 2 23.654 -16.345 -2.643 1.00 70.43 C ATOM 10 C SER A 2 24.819 -16.145 -1.674 1.00 62.31 C ATOM 11 O SER A 2 25.277 -17.117 -1.074 1.00 71.32 O ATOM 12 CB SER A 2 22.393 -16.800 -1.904 1.00 32.31 C ATOM 13 OG SER A 2 21.423 -17.286 -2.817 1.00 2.33 O ATOM 0 H SER A 2 23.421 -18.157 -3.656 1.00 73.14 H new ATOM 0 HA SER A 2 23.431 -15.396 -3.130 1.00 70.43 H new ATOM 0 HB2 SER A 2 22.648 -17.581 -1.187 1.00 32.31 H new ATOM 0 HB3 SER A 2 21.979 -15.968 -1.335 1.00 32.31 H new ATOM 0 HG SER A 2 20.626 -17.573 -2.325 1.00 2.33 H new ATOM 19 N ASN A 3 25.322 -14.917 -1.556 1.00 14.14 N ATOM 20 CA ASN A 3 26.432 -14.569 -0.679 1.00 54.40 C ATOM 21 C ASN A 3 25.949 -13.487 0.272 1.00 2.14 C ATOM 22 O ASN A 3 25.867 -13.732 1.476 1.00 31.23 O ATOM 23 CB ASN A 3 27.676 -14.139 -1.472 1.00 53.22 C ATOM 24 CG ASN A 3 28.244 -15.247 -2.348 1.00 24.42 C ATOM 25 OD1 ASN A 3 28.455 -16.374 -1.901 1.00 32.23 O ATOM 26 ND2 ASN A 3 28.515 -14.962 -3.610 1.00 13.10 N ATOM 0 H ASN A 3 24.959 -14.121 -2.080 1.00 14.14 H new ATOM 0 HA ASN A 3 26.746 -15.443 -0.108 1.00 54.40 H new ATOM 0 HB2 ASN A 3 27.421 -13.284 -2.099 1.00 53.22 H new ATOM 0 HB3 ASN A 3 28.445 -13.806 -0.775 1.00 53.22 H new ATOM 0 HD21 ASN A 3 28.903 -15.679 -4.223 1.00 13.10 H new ATOM 0 HD22 ASN A 3 28.336 -14.025 -3.971 1.00 13.10 H new ATOM 33 N GLN A 4 25.646 -12.295 -0.246 1.00 1.35 N ATOM 34 CA GLN A 4 25.147 -11.172 0.538 1.00 30.30 C ATOM 35 C GLN A 4 23.637 -11.347 0.740 1.00 14.44 C ATOM 36 O GLN A 4 22.942 -11.802 -0.178 1.00 13.52 O ATOM 37 CB GLN A 4 25.399 -9.844 -0.199 1.00 71.04 C ATOM 38 CG GLN A 4 26.881 -9.505 -0.428 1.00 51.50 C ATOM 39 CD GLN A 4 27.271 -9.652 -1.895 1.00 21.10 C ATOM 40 OE1 GLN A 4 27.419 -10.763 -2.400 1.00 43.25 O ATOM 41 NE2 GLN A 4 27.422 -8.554 -2.616 1.00 33.24 N ATOM 0 H GLN A 4 25.743 -12.083 -1.239 1.00 1.35 H new ATOM 0 HA GLN A 4 25.666 -11.148 1.496 1.00 30.30 H new ATOM 0 HB2 GLN A 4 24.895 -9.880 -1.165 1.00 71.04 H new ATOM 0 HB3 GLN A 4 24.940 -9.036 0.370 1.00 71.04 H new ATOM 0 HG2 GLN A 4 27.076 -8.484 -0.100 1.00 51.50 H new ATOM 0 HG3 GLN A 4 27.503 -10.160 0.182 1.00 51.50 H new ATOM 0 HE21 GLN A 4 27.296 -7.639 -2.184 1.00 33.24 H new ATOM 0 HE22 GLN A 4 27.664 -8.622 -3.604 1.00 33.24 H new ATOM 50 N GLN A 5 23.137 -10.899 1.895 1.00 33.14 N ATOM 51 CA GLN A 5 21.739 -10.934 2.334 1.00 72.03 C ATOM 52 C GLN A 5 21.161 -12.352 2.456 1.00 61.41 C ATOM 53 O GLN A 5 21.854 -13.342 2.212 1.00 43.30 O ATOM 54 CB GLN A 5 20.896 -9.950 1.491 1.00 64.15 C ATOM 55 CG GLN A 5 19.818 -9.178 2.268 1.00 33.22 C ATOM 56 CD GLN A 5 20.385 -8.160 3.264 1.00 14.11 C ATOM 57 OE1 GLN A 5 21.542 -8.221 3.679 1.00 40.45 O ATOM 58 NE2 GLN A 5 19.568 -7.224 3.697 1.00 23.05 N ATOM 0 H GLN A 5 23.741 -10.472 2.597 1.00 33.14 H new ATOM 0 HA GLN A 5 21.696 -10.580 3.364 1.00 72.03 H new ATOM 0 HB2 GLN A 5 21.568 -9.231 1.022 1.00 64.15 H new ATOM 0 HB3 GLN A 5 20.413 -10.506 0.688 1.00 64.15 H new ATOM 0 HG2 GLN A 5 19.174 -8.659 1.559 1.00 33.22 H new ATOM 0 HG3 GLN A 5 19.191 -9.889 2.806 1.00 33.22 H new ATOM 0 HE21 GLN A 5 18.611 -7.181 3.348 1.00 23.05 H new ATOM 0 HE22 GLN A 5 19.892 -6.541 4.382 1.00 23.05 H new ATOM 67 N LEU A 6 19.912 -12.457 2.917 1.00 15.22 N ATOM 68 CA LEU A 6 19.166 -13.677 3.146 1.00 42.12 C ATOM 69 C LEU A 6 17.679 -13.442 2.889 1.00 42.14 C ATOM 70 O LEU A 6 17.259 -12.344 2.498 1.00 3.32 O ATOM 71 CB LEU A 6 19.400 -14.188 4.585 1.00 71.12 C ATOM 72 CG LEU A 6 19.156 -13.230 5.775 1.00 12.14 C ATOM 73 CD1 LEU A 6 20.454 -12.529 6.149 1.00 32.25 C ATOM 74 CD2 LEU A 6 18.067 -12.154 5.650 1.00 34.51 C ATOM 0 H LEU A 6 19.366 -11.629 3.154 1.00 15.22 H new ATOM 0 HA LEU A 6 19.518 -14.440 2.452 1.00 42.12 H new ATOM 0 HB2 LEU A 6 18.764 -15.061 4.731 1.00 71.12 H new ATOM 0 HB3 LEU A 6 20.432 -14.532 4.647 1.00 71.12 H new ATOM 0 HG LEU A 6 18.776 -13.912 6.536 1.00 12.14 H new ATOM 0 HD11 LEU A 6 20.275 -11.856 6.988 1.00 32.25 H new ATOM 0 HD12 LEU A 6 21.200 -13.272 6.432 1.00 32.25 H new ATOM 0 HD13 LEU A 6 20.818 -11.957 5.295 1.00 32.25 H new ATOM 0 HD21 LEU A 6 18.026 -11.570 6.569 1.00 34.51 H new ATOM 0 HD22 LEU A 6 18.299 -11.497 4.812 1.00 34.51 H new ATOM 0 HD23 LEU A 6 17.102 -12.631 5.480 1.00 34.51 H new ATOM 86 N ASN A 7 16.919 -14.511 3.080 1.00 71.10 N ATOM 87 CA ASN A 7 15.475 -14.630 2.924 1.00 0.40 C ATOM 88 C ASN A 7 14.741 -14.142 4.181 1.00 3.43 C ATOM 89 O ASN A 7 15.262 -14.257 5.290 1.00 4.34 O ATOM 90 CB ASN A 7 15.151 -16.106 2.652 1.00 44.24 C ATOM 91 CG ASN A 7 13.899 -16.252 1.807 1.00 71.44 C ATOM 92 OD1 ASN A 7 12.804 -15.902 2.234 1.00 34.10 O ATOM 93 ND2 ASN A 7 14.037 -16.757 0.595 1.00 61.25 N ATOM 0 H ASN A 7 17.333 -15.395 3.374 1.00 71.10 H new ATOM 0 HA ASN A 7 15.141 -14.007 2.094 1.00 0.40 H new ATOM 0 HB2 ASN A 7 15.992 -16.577 2.143 1.00 44.24 H new ATOM 0 HB3 ASN A 7 15.017 -16.631 3.598 1.00 44.24 H new ATOM 0 HD21 ASN A 7 13.222 -16.863 -0.009 1.00 61.25 H new ATOM 0 HD22 ASN A 7 14.959 -17.041 0.263 1.00 61.25 H new ATOM 100 N ALA A 8 13.520 -13.628 4.043 1.00 52.54 N ATOM 101 CA ALA A 8 12.717 -13.118 5.149 1.00 1.25 C ATOM 102 C ALA A 8 12.371 -14.209 6.167 1.00 2.53 C ATOM 103 O ALA A 8 11.872 -15.268 5.786 1.00 31.44 O ATOM 104 CB ALA A 8 11.418 -12.537 4.588 1.00 51.44 C ATOM 0 H ALA A 8 13.053 -13.554 3.139 1.00 52.54 H new ATOM 0 HA ALA A 8 13.303 -12.356 5.663 1.00 1.25 H new ATOM 0 HB1 ALA A 8 10.809 -12.152 5.406 1.00 51.44 H new ATOM 0 HB2 ALA A 8 11.650 -11.727 3.896 1.00 51.44 H new ATOM 0 HB3 ALA A 8 10.868 -13.317 4.062 1.00 51.44 H new ATOM 110 N THR A 9 12.561 -13.929 7.457 1.00 52.34 N ATOM 111 CA THR A 9 12.256 -14.864 8.540 1.00 32.12 C ATOM 112 C THR A 9 10.759 -14.810 8.913 1.00 3.01 C ATOM 113 O THR A 9 10.282 -15.590 9.741 1.00 41.30 O ATOM 114 CB THR A 9 13.175 -14.556 9.737 1.00 53.10 C ATOM 115 OG1 THR A 9 14.500 -14.353 9.285 1.00 54.20 O ATOM 116 CG2 THR A 9 13.230 -15.693 10.761 1.00 42.11 C ATOM 0 H THR A 9 12.935 -13.037 7.782 1.00 52.34 H new ATOM 0 HA THR A 9 12.448 -15.886 8.214 1.00 32.12 H new ATOM 0 HB THR A 9 12.757 -13.668 10.212 1.00 53.10 H new ATOM 0 HG1 THR A 9 15.080 -14.156 10.050 1.00 54.20 H new ATOM 0 HG21 THR A 9 13.894 -15.414 11.579 1.00 42.11 H new ATOM 0 HG22 THR A 9 12.230 -15.879 11.153 1.00 42.11 H new ATOM 0 HG23 THR A 9 13.605 -16.597 10.281 1.00 42.11 H new ATOM 124 N LYS A 10 10.001 -13.869 8.348 1.00 55.51 N ATOM 125 CA LYS A 10 8.569 -13.676 8.562 1.00 54.41 C ATOM 126 C LYS A 10 7.924 -13.568 7.179 1.00 32.23 C ATOM 127 O LYS A 10 8.516 -14.005 6.195 1.00 44.31 O ATOM 128 CB LYS A 10 8.318 -12.488 9.516 1.00 71.53 C ATOM 129 CG LYS A 10 7.039 -12.655 10.364 1.00 64.44 C ATOM 130 CD LYS A 10 6.878 -11.548 11.417 1.00 62.31 C ATOM 131 CE LYS A 10 6.407 -10.233 10.785 1.00 3.44 C ATOM 132 NZ LYS A 10 6.505 -9.091 11.716 1.00 0.02 N ATOM 0 H LYS A 10 10.390 -13.188 7.696 1.00 55.51 H new ATOM 0 HA LYS A 10 8.099 -14.515 9.075 1.00 54.41 H new ATOM 0 HB2 LYS A 10 9.175 -12.375 10.180 1.00 71.53 H new ATOM 0 HB3 LYS A 10 8.243 -11.570 8.933 1.00 71.53 H new ATOM 0 HG2 LYS A 10 6.169 -12.655 9.707 1.00 64.44 H new ATOM 0 HG3 LYS A 10 7.062 -13.624 10.862 1.00 64.44 H new ATOM 0 HD2 LYS A 10 6.161 -11.866 12.174 1.00 62.31 H new ATOM 0 HD3 LYS A 10 7.829 -11.388 11.926 1.00 62.31 H new ATOM 0 HE2 LYS A 10 7.004 -10.026 9.897 1.00 3.44 H new ATOM 0 HE3 LYS A 10 5.374 -10.342 10.456 1.00 3.44 H new ATOM 0 HZ1 LYS A 10 6.175 -8.227 11.241 1.00 0.02 H new ATOM 0 HZ2 LYS A 10 5.915 -9.273 12.552 1.00 0.02 H new ATOM 0 HZ3 LYS A 10 7.495 -8.968 12.011 1.00 0.02 H new ATOM 146 N LYS A 11 6.697 -13.044 7.083 1.00 24.21 N ATOM 147 CA LYS A 11 5.995 -12.892 5.811 1.00 31.45 C ATOM 148 C LYS A 11 6.861 -12.035 4.884 1.00 51.25 C ATOM 149 O LYS A 11 6.911 -10.818 5.050 1.00 43.10 O ATOM 150 CB LYS A 11 4.621 -12.223 5.989 1.00 3.53 C ATOM 151 CG LYS A 11 3.411 -13.047 6.462 1.00 34.41 C ATOM 152 CD LYS A 11 3.312 -13.383 7.957 1.00 1.45 C ATOM 153 CE LYS A 11 4.165 -14.593 8.345 1.00 74.13 C ATOM 154 NZ LYS A 11 3.745 -15.196 9.624 1.00 43.53 N ATOM 0 H LYS A 11 6.165 -12.714 7.888 1.00 24.21 H new ATOM 0 HA LYS A 11 5.825 -13.882 5.388 1.00 31.45 H new ATOM 0 HB2 LYS A 11 4.750 -11.404 6.697 1.00 3.53 H new ATOM 0 HB3 LYS A 11 4.353 -11.777 5.031 1.00 3.53 H new ATOM 0 HG2 LYS A 11 2.507 -12.507 6.180 1.00 34.41 H new ATOM 0 HG3 LYS A 11 3.408 -13.985 5.907 1.00 34.41 H new ATOM 0 HD2 LYS A 11 3.627 -12.519 8.542 1.00 1.45 H new ATOM 0 HD3 LYS A 11 2.271 -13.579 8.213 1.00 1.45 H new ATOM 0 HE2 LYS A 11 4.105 -15.343 7.557 1.00 74.13 H new ATOM 0 HE3 LYS A 11 5.209 -14.289 8.416 1.00 74.13 H new ATOM 0 HZ1 LYS A 11 4.354 -16.011 9.840 1.00 43.53 H new ATOM 0 HZ2 LYS A 11 3.827 -14.491 10.384 1.00 43.53 H new ATOM 0 HZ3 LYS A 11 2.757 -15.512 9.551 1.00 43.53 H new ATOM 168 N ASP A 12 7.491 -12.641 3.880 1.00 74.45 N ATOM 169 CA ASP A 12 8.357 -11.978 2.903 1.00 3.43 C ATOM 170 C ASP A 12 7.605 -10.876 2.154 1.00 40.30 C ATOM 171 O ASP A 12 8.187 -9.842 1.819 1.00 51.30 O ATOM 172 CB ASP A 12 8.875 -13.021 1.891 1.00 32.41 C ATOM 173 CG ASP A 12 7.792 -13.479 0.902 1.00 11.32 C ATOM 174 OD1 ASP A 12 6.743 -13.997 1.357 1.00 24.51 O ATOM 175 OD2 ASP A 12 7.965 -13.304 -0.323 1.00 75.24 O ATOM 0 H ASP A 12 7.410 -13.645 3.717 1.00 74.45 H new ATOM 0 HA ASP A 12 9.191 -11.522 3.437 1.00 3.43 H new ATOM 0 HB2 ASP A 12 9.712 -12.598 1.336 1.00 32.41 H new ATOM 0 HB3 ASP A 12 9.257 -13.887 2.432 1.00 32.41 H new ATOM 180 N LYS A 13 6.301 -11.056 1.940 1.00 15.34 N ATOM 181 CA LYS A 13 5.440 -10.106 1.277 1.00 71.43 C ATOM 182 C LYS A 13 5.335 -8.879 2.171 1.00 50.22 C ATOM 183 O LYS A 13 5.222 -7.785 1.647 1.00 31.34 O ATOM 184 CB LYS A 13 4.065 -10.741 1.019 1.00 43.03 C ATOM 185 CG LYS A 13 4.088 -12.023 0.170 1.00 62.31 C ATOM 186 CD LYS A 13 4.268 -11.780 -1.335 1.00 13.35 C ATOM 187 CE LYS A 13 2.934 -11.377 -1.977 1.00 2.20 C ATOM 188 NZ LYS A 13 3.042 -11.152 -3.434 1.00 24.34 N ATOM 0 H LYS A 13 5.810 -11.899 2.238 1.00 15.34 H new ATOM 0 HA LYS A 13 5.845 -9.814 0.308 1.00 71.43 H new ATOM 0 HB2 LYS A 13 3.601 -10.968 1.979 1.00 43.03 H new ATOM 0 HB3 LYS A 13 3.430 -10.007 0.523 1.00 43.03 H new ATOM 0 HG2 LYS A 13 4.897 -12.664 0.522 1.00 62.31 H new ATOM 0 HG3 LYS A 13 3.157 -12.567 0.330 1.00 62.31 H new ATOM 0 HD2 LYS A 13 5.008 -10.996 -1.497 1.00 13.35 H new ATOM 0 HD3 LYS A 13 4.650 -12.682 -1.812 1.00 13.35 H new ATOM 0 HE2 LYS A 13 2.196 -12.156 -1.789 1.00 2.20 H new ATOM 0 HE3 LYS A 13 2.567 -10.468 -1.500 1.00 2.20 H new ATOM 0 HZ1 LYS A 13 2.112 -10.883 -3.814 1.00 24.34 H new ATOM 0 HZ2 LYS A 13 3.725 -10.390 -3.618 1.00 24.34 H new ATOM 0 HZ3 LYS A 13 3.365 -12.025 -3.897 1.00 24.34 H new ATOM 202 N LEU A 14 5.263 -9.003 3.497 1.00 21.52 N ATOM 203 CA LEU A 14 5.200 -7.830 4.362 1.00 1.03 C ATOM 204 C LEU A 14 6.598 -7.206 4.479 1.00 12.43 C ATOM 205 O LEU A 14 6.729 -6.007 4.709 1.00 1.31 O ATOM 206 CB LEU A 14 4.632 -8.214 5.734 1.00 54.51 C ATOM 207 CG LEU A 14 3.263 -8.919 5.651 1.00 13.30 C ATOM 208 CD1 LEU A 14 2.805 -9.300 7.052 1.00 32.40 C ATOM 209 CD2 LEU A 14 2.188 -8.054 4.993 1.00 31.21 C ATOM 0 H LEU A 14 5.247 -9.896 3.989 1.00 21.52 H new ATOM 0 HA LEU A 14 4.531 -7.087 3.929 1.00 1.03 H new ATOM 0 HB2 LEU A 14 5.340 -8.869 6.242 1.00 54.51 H new ATOM 0 HB3 LEU A 14 4.534 -7.316 6.344 1.00 54.51 H new ATOM 0 HG LEU A 14 3.396 -9.804 5.029 1.00 13.30 H new ATOM 0 HD11 LEU A 14 1.837 -9.799 6.995 1.00 32.40 H new ATOM 0 HD12 LEU A 14 3.534 -9.973 7.503 1.00 32.40 H new ATOM 0 HD13 LEU A 14 2.715 -8.401 7.662 1.00 32.40 H new ATOM 0 HD21 LEU A 14 1.247 -8.603 4.963 1.00 31.21 H new ATOM 0 HD22 LEU A 14 2.055 -7.138 5.569 1.00 31.21 H new ATOM 0 HD23 LEU A 14 2.494 -7.803 3.977 1.00 31.21 H new ATOM 221 N GLN A 15 7.649 -8.012 4.305 1.00 4.12 N ATOM 222 CA GLN A 15 9.051 -7.624 4.389 1.00 51.21 C ATOM 223 C GLN A 15 9.418 -6.540 3.375 1.00 70.30 C ATOM 224 O GLN A 15 10.002 -5.526 3.756 1.00 42.10 O ATOM 225 CB GLN A 15 9.915 -8.885 4.200 1.00 12.25 C ATOM 226 CG GLN A 15 11.204 -8.868 5.013 1.00 15.32 C ATOM 227 CD GLN A 15 10.850 -8.971 6.488 1.00 41.22 C ATOM 228 OE1 GLN A 15 10.258 -9.944 6.950 1.00 12.41 O ATOM 229 NE2 GLN A 15 11.115 -7.931 7.235 1.00 3.13 N ATOM 0 H GLN A 15 7.534 -9.003 4.091 1.00 4.12 H new ATOM 0 HA GLN A 15 9.238 -7.187 5.370 1.00 51.21 H new ATOM 0 HB2 GLN A 15 9.330 -9.761 4.480 1.00 12.25 H new ATOM 0 HB3 GLN A 15 10.163 -8.991 3.144 1.00 12.25 H new ATOM 0 HG2 GLN A 15 11.847 -9.698 4.720 1.00 15.32 H new ATOM 0 HG3 GLN A 15 11.760 -7.950 4.821 1.00 15.32 H new ATOM 0 HE21 GLN A 15 11.607 -7.130 6.838 1.00 3.13 H new ATOM 0 HE22 GLN A 15 10.830 -7.920 8.214 1.00 3.13 H new ATOM 238 N VAL A 16 9.056 -6.709 2.103 1.00 71.05 N ATOM 239 CA VAL A 16 9.373 -5.713 1.077 1.00 52.13 C ATOM 240 C VAL A 16 8.718 -4.364 1.407 1.00 52.43 C ATOM 241 O VAL A 16 9.281 -3.319 1.087 1.00 35.12 O ATOM 242 CB VAL A 16 9.053 -6.226 -0.340 1.00 1.13 C ATOM 243 CG1 VAL A 16 9.864 -7.485 -0.670 1.00 41.33 C ATOM 244 CG2 VAL A 16 7.573 -6.560 -0.542 1.00 1.53 C ATOM 0 H VAL A 16 8.545 -7.522 1.759 1.00 71.05 H new ATOM 0 HA VAL A 16 10.450 -5.543 1.082 1.00 52.13 H new ATOM 0 HB VAL A 16 9.321 -5.405 -1.005 1.00 1.13 H new ATOM 0 HG11 VAL A 16 9.617 -7.824 -1.676 1.00 41.33 H new ATOM 0 HG12 VAL A 16 10.928 -7.257 -0.615 1.00 41.33 H new ATOM 0 HG13 VAL A 16 9.624 -8.271 0.046 1.00 41.33 H new ATOM 0 HG21 VAL A 16 7.416 -6.915 -1.560 1.00 1.53 H new ATOM 0 HG22 VAL A 16 7.276 -7.336 0.163 1.00 1.53 H new ATOM 0 HG23 VAL A 16 6.972 -5.667 -0.373 1.00 1.53 H new ATOM 254 N ILE A 17 7.528 -4.380 2.028 1.00 4.53 N ATOM 255 CA ILE A 17 6.831 -3.151 2.394 1.00 11.14 C ATOM 256 C ILE A 17 7.612 -2.442 3.504 1.00 72.11 C ATOM 257 O ILE A 17 7.771 -1.228 3.488 1.00 14.51 O ATOM 258 CB ILE A 17 5.363 -3.362 2.815 1.00 63.01 C ATOM 259 CG1 ILE A 17 4.635 -4.482 2.058 1.00 32.52 C ATOM 260 CG2 ILE A 17 4.647 -2.024 2.604 1.00 3.00 C ATOM 261 CD1 ILE A 17 3.234 -4.743 2.615 1.00 13.12 C ATOM 0 H ILE A 17 7.034 -5.234 2.284 1.00 4.53 H new ATOM 0 HA ILE A 17 6.789 -2.532 1.498 1.00 11.14 H new ATOM 0 HB ILE A 17 5.351 -3.685 3.856 1.00 63.01 H new ATOM 0 HG12 ILE A 17 4.561 -4.216 1.004 1.00 32.52 H new ATOM 0 HG13 ILE A 17 5.223 -5.398 2.115 1.00 32.52 H new ATOM 0 HG21 ILE A 17 3.600 -2.123 2.889 1.00 3.00 H new ATOM 0 HG22 ILE A 17 5.120 -1.258 3.218 1.00 3.00 H new ATOM 0 HG23 ILE A 17 4.712 -1.738 1.554 1.00 3.00 H new ATOM 0 HD11 ILE A 17 2.760 -5.543 2.047 1.00 13.12 H new ATOM 0 HD12 ILE A 17 3.308 -5.036 3.662 1.00 13.12 H new ATOM 0 HD13 ILE A 17 2.635 -3.836 2.533 1.00 13.12 H new ATOM 273 N ASP A 18 8.098 -3.205 4.473 1.00 62.13 N ATOM 274 CA ASP A 18 8.879 -2.683 5.590 1.00 71.21 C ATOM 275 C ASP A 18 10.116 -1.940 5.065 1.00 0.11 C ATOM 276 O ASP A 18 10.443 -0.861 5.562 1.00 34.40 O ATOM 277 CB ASP A 18 9.252 -3.829 6.537 1.00 12.50 C ATOM 278 CG ASP A 18 9.579 -3.333 7.941 1.00 30.53 C ATOM 279 OD1 ASP A 18 8.758 -2.597 8.538 1.00 61.13 O ATOM 280 OD2 ASP A 18 10.553 -3.812 8.558 1.00 72.24 O ATOM 0 H ASP A 18 7.961 -4.215 4.508 1.00 62.13 H new ATOM 0 HA ASP A 18 8.285 -1.965 6.156 1.00 71.21 H new ATOM 0 HB2 ASP A 18 8.427 -4.539 6.588 1.00 12.50 H new ATOM 0 HB3 ASP A 18 10.111 -4.366 6.134 1.00 12.50 H new ATOM 285 N TRP A 19 10.759 -2.486 4.020 1.00 54.33 N ATOM 286 CA TRP A 19 11.938 -1.903 3.384 1.00 23.13 C ATOM 287 C TRP A 19 11.560 -0.600 2.680 1.00 32.01 C ATOM 288 O TRP A 19 12.155 0.438 2.977 1.00 31.54 O ATOM 289 CB TRP A 19 12.559 -2.908 2.395 1.00 14.25 C ATOM 290 CG TRP A 19 13.687 -2.400 1.537 1.00 35.13 C ATOM 291 CD1 TRP A 19 13.554 -1.835 0.313 1.00 21.01 C ATOM 292 CD2 TRP A 19 15.127 -2.433 1.790 1.00 60.21 C ATOM 293 NE1 TRP A 19 14.793 -1.514 -0.197 1.00 64.42 N ATOM 294 CE2 TRP A 19 15.802 -1.910 0.646 1.00 42.33 C ATOM 295 CE3 TRP A 19 15.941 -2.872 2.857 1.00 75.23 C ATOM 296 CZ2 TRP A 19 17.199 -1.862 0.543 1.00 75.20 C ATOM 297 CZ3 TRP A 19 17.346 -2.798 2.782 1.00 64.33 C ATOM 298 CH2 TRP A 19 17.976 -2.308 1.623 1.00 4.11 C ATOM 0 H TRP A 19 10.463 -3.362 3.590 1.00 54.33 H new ATOM 0 HA TRP A 19 12.683 -1.676 4.147 1.00 23.13 H new ATOM 0 HB2 TRP A 19 12.922 -3.765 2.963 1.00 14.25 H new ATOM 0 HB3 TRP A 19 11.769 -3.272 1.738 1.00 14.25 H new ATOM 0 HD1 TRP A 19 12.614 -1.662 -0.190 1.00 21.01 H new ATOM 0 HE1 TRP A 19 14.942 -1.042 -1.089 1.00 64.42 H new ATOM 0 HE3 TRP A 19 15.478 -3.272 3.747 1.00 75.23 H new ATOM 0 HZ2 TRP A 19 17.670 -1.488 -0.354 1.00 75.20 H new ATOM 0 HZ3 TRP A 19 17.945 -3.120 3.621 1.00 64.33 H new ATOM 0 HH2 TRP A 19 19.054 -2.275 1.565 1.00 4.11 H new ATOM 309 N LEU A 20 10.564 -0.604 1.780 1.00 23.32 N ATOM 310 CA LEU A 20 10.165 0.619 1.080 1.00 31.01 C ATOM 311 C LEU A 20 9.693 1.714 2.038 1.00 30.21 C ATOM 312 O LEU A 20 9.909 2.890 1.747 1.00 21.24 O ATOM 313 CB LEU A 20 9.185 0.366 -0.072 1.00 65.21 C ATOM 314 CG LEU A 20 7.860 -0.301 0.305 1.00 24.31 C ATOM 315 CD1 LEU A 20 6.729 0.693 0.554 1.00 51.12 C ATOM 316 CD2 LEU A 20 7.433 -1.305 -0.764 1.00 73.34 C ATOM 0 H LEU A 20 10.027 -1.433 1.524 1.00 23.32 H new ATOM 0 HA LEU A 20 11.070 1.000 0.607 1.00 31.01 H new ATOM 0 HB2 LEU A 20 8.965 1.320 -0.551 1.00 65.21 H new ATOM 0 HB3 LEU A 20 9.683 -0.256 -0.816 1.00 65.21 H new ATOM 0 HG LEU A 20 8.046 -0.818 1.246 1.00 24.31 H new ATOM 0 HD11 LEU A 20 5.820 0.152 0.816 1.00 51.12 H new ATOM 0 HD12 LEU A 20 7.004 1.359 1.372 1.00 51.12 H new ATOM 0 HD13 LEU A 20 6.554 1.279 -0.348 1.00 51.12 H new ATOM 0 HD21 LEU A 20 6.489 -1.766 -0.474 1.00 73.34 H new ATOM 0 HD22 LEU A 20 7.308 -0.791 -1.717 1.00 73.34 H new ATOM 0 HD23 LEU A 20 8.197 -2.076 -0.865 1.00 73.34 H new ATOM 328 N ILE A 21 9.063 1.346 3.156 1.00 51.23 N ATOM 329 CA ILE A 21 8.601 2.306 4.151 1.00 64.21 C ATOM 330 C ILE A 21 9.839 2.999 4.723 1.00 21.40 C ATOM 331 O ILE A 21 9.885 4.225 4.786 1.00 73.41 O ATOM 332 CB ILE A 21 7.751 1.591 5.229 1.00 52.45 C ATOM 333 CG1 ILE A 21 6.332 1.336 4.673 1.00 53.41 C ATOM 334 CG2 ILE A 21 7.703 2.389 6.549 1.00 31.23 C ATOM 335 CD1 ILE A 21 5.548 0.290 5.468 1.00 2.13 C ATOM 0 H ILE A 21 8.861 0.375 3.393 1.00 51.23 H new ATOM 0 HA ILE A 21 7.948 3.061 3.712 1.00 64.21 H new ATOM 0 HB ILE A 21 8.221 0.636 5.465 1.00 52.45 H new ATOM 0 HG12 ILE A 21 5.776 2.273 4.673 1.00 53.41 H new ATOM 0 HG13 ILE A 21 6.409 1.011 3.636 1.00 53.41 H new ATOM 0 HG21 ILE A 21 7.096 1.851 7.277 1.00 31.23 H new ATOM 0 HG22 ILE A 21 8.714 2.510 6.938 1.00 31.23 H new ATOM 0 HG23 ILE A 21 7.265 3.370 6.365 1.00 31.23 H new ATOM 0 HD11 ILE A 21 4.561 0.160 5.024 1.00 2.13 H new ATOM 0 HD12 ILE A 21 6.083 -0.659 5.447 1.00 2.13 H new ATOM 0 HD13 ILE A 21 5.440 0.623 6.500 1.00 2.13 H new ATOM 347 N GLU A 22 10.840 2.219 5.138 1.00 64.31 N ATOM 348 CA GLU A 22 12.059 2.763 5.705 1.00 13.43 C ATOM 349 C GLU A 22 12.871 3.544 4.662 1.00 10.14 C ATOM 350 O GLU A 22 13.583 4.482 5.020 1.00 11.12 O ATOM 351 CB GLU A 22 12.868 1.622 6.336 1.00 52.41 C ATOM 352 CG GLU A 22 13.956 2.156 7.276 1.00 31.11 C ATOM 353 CD GLU A 22 14.655 1.026 8.026 1.00 31.12 C ATOM 354 OE1 GLU A 22 15.636 0.467 7.483 1.00 70.15 O ATOM 355 OE2 GLU A 22 14.245 0.710 9.167 1.00 32.11 O ATOM 0 H GLU A 22 10.821 1.200 5.088 1.00 64.31 H new ATOM 0 HA GLU A 22 11.805 3.483 6.483 1.00 13.43 H new ATOM 0 HB2 GLU A 22 12.199 0.963 6.890 1.00 52.41 H new ATOM 0 HB3 GLU A 22 13.327 1.022 5.550 1.00 52.41 H new ATOM 0 HG2 GLU A 22 14.690 2.720 6.700 1.00 31.11 H new ATOM 0 HG3 GLU A 22 13.512 2.848 7.991 1.00 31.11 H new ATOM 362 N ASN A 23 12.757 3.199 3.373 1.00 10.42 N ATOM 363 CA ASN A 23 13.488 3.866 2.298 1.00 33.11 C ATOM 364 C ASN A 23 13.060 5.324 2.161 1.00 43.31 C ATOM 365 O ASN A 23 13.930 6.200 2.096 1.00 25.32 O ATOM 366 CB ASN A 23 13.274 3.147 0.953 1.00 53.40 C ATOM 367 CG ASN A 23 14.325 2.087 0.664 1.00 61.32 C ATOM 368 OD1 ASN A 23 14.916 2.075 -0.408 1.00 1.14 O ATOM 369 ND2 ASN A 23 14.549 1.152 1.568 1.00 52.43 N ATOM 0 H ASN A 23 12.151 2.445 3.049 1.00 10.42 H new ATOM 0 HA ASN A 23 14.546 3.829 2.559 1.00 33.11 H new ATOM 0 HB2 ASN A 23 12.288 2.682 0.950 1.00 53.40 H new ATOM 0 HB3 ASN A 23 13.281 3.884 0.150 1.00 53.40 H new ATOM 0 HD21 ASN A 23 15.221 0.409 1.377 1.00 52.43 H new ATOM 0 HD22 ASN A 23 14.050 1.173 2.458 1.00 52.43 H new ATOM 376 N PHE A 24 11.758 5.614 2.150 1.00 31.53 N ATOM 377 CA PHE A 24 11.257 6.978 2.010 1.00 51.31 C ATOM 378 C PHE A 24 10.518 7.444 3.267 1.00 45.03 C ATOM 379 O PHE A 24 9.286 7.441 3.300 1.00 4.52 O ATOM 380 CB PHE A 24 10.446 7.153 0.714 1.00 44.43 C ATOM 381 CG PHE A 24 11.283 7.300 -0.551 1.00 31.52 C ATOM 382 CD1 PHE A 24 12.300 8.275 -0.635 1.00 22.13 C ATOM 383 CD2 PHE A 24 10.998 6.512 -1.682 1.00 22.44 C ATOM 384 CE1 PHE A 24 13.003 8.465 -1.834 1.00 44.53 C ATOM 385 CE2 PHE A 24 11.721 6.692 -2.874 1.00 74.25 C ATOM 386 CZ PHE A 24 12.724 7.669 -2.952 1.00 14.04 C ATOM 0 H PHE A 24 11.025 4.911 2.238 1.00 31.53 H new ATOM 0 HA PHE A 24 12.115 7.643 1.914 1.00 51.31 H new ATOM 0 HB2 PHE A 24 9.785 6.294 0.597 1.00 44.43 H new ATOM 0 HB3 PHE A 24 9.810 8.033 0.816 1.00 44.43 H new ATOM 0 HD1 PHE A 24 12.538 8.878 0.229 1.00 22.13 H new ATOM 0 HD2 PHE A 24 10.220 5.765 -1.634 1.00 22.44 H new ATOM 0 HE1 PHE A 24 13.764 9.229 -1.895 1.00 44.53 H new ATOM 0 HE2 PHE A 24 11.503 6.075 -3.733 1.00 74.25 H new ATOM 0 HZ PHE A 24 13.278 7.807 -3.869 1.00 14.04 H new ATOM 396 N PRO A 25 11.241 7.951 4.284 1.00 63.23 N ATOM 397 CA PRO A 25 10.647 8.435 5.525 1.00 55.51 C ATOM 398 C PRO A 25 9.891 9.762 5.349 1.00 70.14 C ATOM 399 O PRO A 25 9.629 10.430 6.348 1.00 64.53 O ATOM 400 CB PRO A 25 11.833 8.606 6.490 1.00 72.00 C ATOM 401 CG PRO A 25 13.009 8.909 5.572 1.00 32.53 C ATOM 402 CD PRO A 25 12.699 8.025 4.370 1.00 42.03 C ATOM 0 HA PRO A 25 9.898 7.734 5.894 1.00 55.51 H new ATOM 0 HB2 PRO A 25 11.659 9.417 7.198 1.00 72.00 H new ATOM 0 HB3 PRO A 25 12.005 7.703 7.076 1.00 72.00 H new ATOM 0 HG2 PRO A 25 13.057 9.964 5.303 1.00 32.53 H new ATOM 0 HG3 PRO A 25 13.964 8.654 6.032 1.00 32.53 H new ATOM 0 HD2 PRO A 25 13.122 8.446 3.458 1.00 42.03 H new ATOM 0 HD3 PRO A 25 13.133 7.033 4.494 1.00 42.03 H new ATOM 410 N ASN A 26 9.577 10.216 4.126 1.00 52.42 N ATOM 411 CA ASN A 26 8.884 11.494 3.977 1.00 71.32 C ATOM 412 C ASN A 26 7.397 11.363 4.241 1.00 30.30 C ATOM 413 O ASN A 26 6.758 12.384 4.481 1.00 41.33 O ATOM 414 CB ASN A 26 9.034 12.093 2.588 1.00 12.33 C ATOM 415 CG ASN A 26 10.426 12.636 2.380 1.00 1.45 C ATOM 416 OD1 ASN A 26 10.712 13.777 2.709 1.00 31.32 O ATOM 417 ND2 ASN A 26 11.318 11.814 1.874 1.00 1.11 N ATOM 0 H ASN A 26 9.786 9.731 3.253 1.00 52.42 H new ATOM 0 HA ASN A 26 9.354 12.147 4.712 1.00 71.32 H new ATOM 0 HB2 ASN A 26 8.820 11.334 1.836 1.00 12.33 H new ATOM 0 HB3 ASN A 26 8.304 12.891 2.452 1.00 12.33 H new ATOM 0 HD21 ASN A 26 12.282 12.123 1.746 1.00 1.11 H new ATOM 0 HD22 ASN A 26 11.047 10.867 1.609 1.00 1.11 H new ATOM 424 N ALA A 27 6.854 10.143 4.144 1.00 11.24 N ATOM 425 CA ALA A 27 5.463 9.797 4.378 1.00 41.41 C ATOM 426 C ALA A 27 5.315 8.298 4.128 1.00 53.44 C ATOM 427 O ALA A 27 5.472 7.855 2.989 1.00 30.11 O ATOM 428 CB ALA A 27 4.641 10.545 3.312 1.00 55.30 C ATOM 0 H ALA A 27 7.413 9.330 3.885 1.00 11.24 H new ATOM 0 HA ALA A 27 5.139 10.053 5.387 1.00 41.41 H new ATOM 0 HB1 ALA A 27 3.583 10.319 3.443 1.00 55.30 H new ATOM 0 HB2 ALA A 27 4.798 11.618 3.418 1.00 55.30 H new ATOM 0 HB3 ALA A 27 4.959 10.228 2.319 1.00 55.30 H new ATOM 434 N PHE A 28 4.931 7.550 5.165 1.00 61.12 N ATOM 435 CA PHE A 28 4.676 6.110 5.167 1.00 22.13 C ATOM 436 C PHE A 28 4.231 5.666 6.569 1.00 5.44 C ATOM 437 O PHE A 28 4.373 6.443 7.520 1.00 75.32 O ATOM 438 CB PHE A 28 5.891 5.299 4.683 1.00 21.25 C ATOM 439 CG PHE A 28 5.765 4.758 3.272 1.00 4.10 C ATOM 440 CD1 PHE A 28 4.609 4.045 2.884 1.00 11.25 C ATOM 441 CD2 PHE A 28 6.817 4.937 2.353 1.00 52.42 C ATOM 442 CE1 PHE A 28 4.497 3.539 1.581 1.00 75.42 C ATOM 443 CE2 PHE A 28 6.717 4.388 1.064 1.00 51.43 C ATOM 444 CZ PHE A 28 5.555 3.701 0.682 1.00 23.33 C ATOM 0 H PHE A 28 4.780 7.963 6.086 1.00 61.12 H new ATOM 0 HA PHE A 28 3.874 5.909 4.457 1.00 22.13 H new ATOM 0 HB2 PHE A 28 6.778 5.930 4.739 1.00 21.25 H new ATOM 0 HB3 PHE A 28 6.050 4.464 5.366 1.00 21.25 H new ATOM 0 HD1 PHE A 28 3.809 3.889 3.593 1.00 11.25 H new ATOM 0 HD2 PHE A 28 7.697 5.494 2.638 1.00 52.42 H new ATOM 0 HE1 PHE A 28 3.597 3.027 1.274 1.00 75.42 H new ATOM 0 HE2 PHE A 28 7.535 4.495 0.367 1.00 51.43 H new ATOM 0 HZ PHE A 28 5.477 3.294 -0.315 1.00 23.33 H new ATOM 454 N PHE A 29 3.724 4.432 6.711 1.00 0.25 N ATOM 455 CA PHE A 29 3.279 3.816 7.965 1.00 4.11 C ATOM 456 C PHE A 29 3.326 2.288 7.815 1.00 52.22 C ATOM 457 O PHE A 29 3.011 1.797 6.731 1.00 34.43 O ATOM 458 CB PHE A 29 1.851 4.246 8.314 1.00 1.21 C ATOM 459 CG PHE A 29 1.725 5.685 8.757 1.00 43.32 C ATOM 460 CD1 PHE A 29 1.299 6.680 7.856 1.00 51.05 C ATOM 461 CD2 PHE A 29 2.074 6.032 10.074 1.00 10.04 C ATOM 462 CE1 PHE A 29 1.189 8.012 8.288 1.00 2.43 C ATOM 463 CE2 PHE A 29 1.897 7.348 10.525 1.00 34.44 C ATOM 464 CZ PHE A 29 1.433 8.330 9.637 1.00 23.22 C ATOM 0 H PHE A 29 3.609 3.807 5.913 1.00 0.25 H new ATOM 0 HA PHE A 29 3.941 4.141 8.767 1.00 4.11 H new ATOM 0 HB2 PHE A 29 1.214 4.089 7.444 1.00 1.21 H new ATOM 0 HB3 PHE A 29 1.473 3.600 9.106 1.00 1.21 H new ATOM 0 HD1 PHE A 29 1.058 6.420 6.836 1.00 51.05 H new ATOM 0 HD2 PHE A 29 2.479 5.284 10.739 1.00 10.04 H new ATOM 0 HE1 PHE A 29 0.918 8.789 7.588 1.00 2.43 H new ATOM 0 HE2 PHE A 29 2.117 7.604 11.551 1.00 34.44 H new ATOM 0 HZ PHE A 29 1.262 9.336 9.991 1.00 23.22 H new ATOM 474 N LYS A 30 3.707 1.546 8.868 1.00 44.40 N ATOM 475 CA LYS A 30 3.776 0.072 8.852 1.00 61.11 C ATOM 476 C LYS A 30 2.427 -0.530 9.247 1.00 45.41 C ATOM 477 O LYS A 30 1.896 -1.385 8.542 1.00 72.31 O ATOM 478 CB LYS A 30 4.853 -0.478 9.809 1.00 0.25 C ATOM 479 CG LYS A 30 6.304 -0.462 9.304 1.00 72.12 C ATOM 480 CD LYS A 30 7.093 0.725 9.863 1.00 22.43 C ATOM 481 CE LYS A 30 8.541 0.777 9.351 1.00 25.24 C ATOM 482 NZ LYS A 30 9.414 -0.286 9.889 1.00 43.10 N ATOM 0 H LYS A 30 3.978 1.954 9.763 1.00 44.40 H new ATOM 0 HA LYS A 30 4.040 -0.213 7.833 1.00 61.11 H new ATOM 0 HB2 LYS A 30 4.809 0.096 10.735 1.00 0.25 H new ATOM 0 HB3 LYS A 30 4.592 -1.506 10.059 1.00 0.25 H new ATOM 0 HG2 LYS A 30 6.797 -1.391 9.589 1.00 72.12 H new ATOM 0 HG3 LYS A 30 6.308 -0.420 8.215 1.00 72.12 H new ATOM 0 HD2 LYS A 30 6.585 1.651 9.594 1.00 22.43 H new ATOM 0 HD3 LYS A 30 7.100 0.670 10.952 1.00 22.43 H new ATOM 0 HE2 LYS A 30 8.532 0.708 8.263 1.00 25.24 H new ATOM 0 HE3 LYS A 30 8.969 1.746 9.605 1.00 25.24 H new ATOM 0 HZ1 LYS A 30 10.386 -0.141 9.550 1.00 43.10 H new ATOM 0 HZ2 LYS A 30 9.401 -0.253 10.928 1.00 43.10 H new ATOM 0 HZ3 LYS A 30 9.070 -1.213 9.568 1.00 43.10 H new ATOM 496 N LYS A 31 1.884 -0.106 10.390 1.00 24.13 N ATOM 497 CA LYS A 31 0.596 -0.574 10.911 1.00 61.40 C ATOM 498 C LYS A 31 -0.526 -0.259 9.915 1.00 42.31 C ATOM 499 O LYS A 31 -0.303 0.356 8.866 1.00 72.15 O ATOM 500 CB LYS A 31 0.327 0.123 12.271 1.00 15.23 C ATOM 501 CG LYS A 31 0.374 -0.846 13.457 1.00 2.30 C ATOM 502 CD LYS A 31 0.015 -0.134 14.766 1.00 13.14 C ATOM 503 CE LYS A 31 0.294 -1.042 15.966 1.00 4.22 C ATOM 504 NZ LYS A 31 0.089 -0.345 17.253 1.00 74.31 N ATOM 0 H LYS A 31 2.334 0.584 10.991 1.00 24.13 H new ATOM 0 HA LYS A 31 0.626 -1.654 11.054 1.00 61.40 H new ATOM 0 HB2 LYS A 31 1.065 0.911 12.422 1.00 15.23 H new ATOM 0 HB3 LYS A 31 -0.651 0.604 12.240 1.00 15.23 H new ATOM 0 HG2 LYS A 31 -0.319 -1.669 13.285 1.00 2.30 H new ATOM 0 HG3 LYS A 31 1.371 -1.280 13.537 1.00 2.30 H new ATOM 0 HD2 LYS A 31 0.593 0.786 14.857 1.00 13.14 H new ATOM 0 HD3 LYS A 31 -1.037 0.151 14.755 1.00 13.14 H new ATOM 0 HE2 LYS A 31 -0.358 -1.914 15.919 1.00 4.22 H new ATOM 0 HE3 LYS A 31 1.319 -1.408 15.912 1.00 4.22 H new ATOM 0 HZ1 LYS A 31 0.289 -0.998 18.037 1.00 74.31 H new ATOM 0 HZ2 LYS A 31 0.729 0.472 17.311 1.00 74.31 H new ATOM 0 HZ3 LYS A 31 -0.896 -0.018 17.318 1.00 74.31 H new ATOM 518 N GLY A 32 -1.761 -0.596 10.269 1.00 11.34 N ATOM 519 CA GLY A 32 -2.928 -0.303 9.451 1.00 24.21 C ATOM 520 C GLY A 32 -3.735 0.817 10.117 1.00 43.41 C ATOM 521 O GLY A 32 -4.331 1.634 9.433 1.00 1.34 O ATOM 0 H GLY A 32 -1.980 -1.083 11.138 1.00 11.34 H new ATOM 0 HA2 GLY A 32 -2.620 -0.001 8.450 1.00 24.21 H new ATOM 0 HA3 GLY A 32 -3.544 -1.196 9.340 1.00 24.21 H new ATOM 525 N ASN A 33 -3.701 0.934 11.448 1.00 53.53 N ATOM 526 CA ASN A 33 -4.466 1.930 12.200 1.00 32.14 C ATOM 527 C ASN A 33 -4.087 3.397 12.006 1.00 65.40 C ATOM 528 O ASN A 33 -4.910 4.248 12.319 1.00 4.11 O ATOM 529 CB ASN A 33 -4.531 1.565 13.698 1.00 24.15 C ATOM 530 CG ASN A 33 -3.601 2.346 14.630 1.00 64.43 C ATOM 531 OD1 ASN A 33 -4.030 2.799 15.685 1.00 4.50 O ATOM 532 ND2 ASN A 33 -2.315 2.459 14.334 1.00 73.44 N ATOM 0 H ASN A 33 -3.132 0.330 12.041 1.00 53.53 H new ATOM 0 HA ASN A 33 -5.457 1.871 11.751 1.00 32.14 H new ATOM 0 HB2 ASN A 33 -5.556 1.708 14.040 1.00 24.15 H new ATOM 0 HB3 ASN A 33 -4.305 0.504 13.801 1.00 24.15 H new ATOM 0 HD21 ASN A 33 -1.681 2.923 14.984 1.00 73.44 H new ATOM 0 HD22 ASN A 33 -1.959 2.082 13.456 1.00 73.44 H new ATOM 539 N GLN A 34 -2.860 3.707 11.586 1.00 25.44 N ATOM 540 CA GLN A 34 -2.378 5.071 11.353 1.00 24.43 C ATOM 541 C GLN A 34 -2.056 5.283 9.867 1.00 72.25 C ATOM 542 O GLN A 34 -1.464 6.296 9.504 1.00 40.41 O ATOM 543 CB GLN A 34 -1.222 5.418 12.330 1.00 52.35 C ATOM 544 CG GLN A 34 -0.023 4.450 12.337 1.00 51.44 C ATOM 545 CD GLN A 34 1.135 4.755 13.291 1.00 70.30 C ATOM 546 OE1 GLN A 34 2.135 4.030 13.290 1.00 71.51 O ATOM 547 NE2 GLN A 34 1.040 5.756 14.150 1.00 42.41 N ATOM 0 H GLN A 34 -2.153 2.997 11.393 1.00 25.44 H new ATOM 0 HA GLN A 34 -3.166 5.789 11.580 1.00 24.43 H new ATOM 0 HB2 GLN A 34 -0.856 6.415 12.087 1.00 52.35 H new ATOM 0 HB3 GLN A 34 -1.630 5.466 13.340 1.00 52.35 H new ATOM 0 HG2 GLN A 34 -0.398 3.454 12.573 1.00 51.44 H new ATOM 0 HG3 GLN A 34 0.379 4.408 11.325 1.00 51.44 H new ATOM 0 HE21 GLN A 34 0.213 6.353 14.148 1.00 42.41 H new ATOM 0 HE22 GLN A 34 1.794 5.931 14.814 1.00 42.41 H new ATOM 556 N VAL A 35 -2.377 4.303 9.009 1.00 44.42 N ATOM 557 CA VAL A 35 -2.100 4.376 7.577 1.00 71.23 C ATOM 558 C VAL A 35 -2.969 5.468 6.939 1.00 3.44 C ATOM 559 O VAL A 35 -4.050 5.771 7.448 1.00 14.55 O ATOM 560 CB VAL A 35 -2.297 2.962 6.972 1.00 51.44 C ATOM 561 CG1 VAL A 35 -3.748 2.602 6.618 1.00 45.53 C ATOM 562 CG2 VAL A 35 -1.406 2.719 5.750 1.00 61.52 C ATOM 0 H VAL A 35 -2.837 3.438 9.295 1.00 44.42 H new ATOM 0 HA VAL A 35 -1.070 4.668 7.373 1.00 71.23 H new ATOM 0 HB VAL A 35 -1.997 2.301 7.785 1.00 51.44 H new ATOM 0 HG11 VAL A 35 -3.782 1.595 6.202 1.00 45.53 H new ATOM 0 HG12 VAL A 35 -4.363 2.644 7.517 1.00 45.53 H new ATOM 0 HG13 VAL A 35 -4.130 3.311 5.883 1.00 45.53 H new ATOM 0 HG21 VAL A 35 -1.583 1.715 5.365 1.00 61.52 H new ATOM 0 HG22 VAL A 35 -1.641 3.451 4.977 1.00 61.52 H new ATOM 0 HG23 VAL A 35 -0.359 2.818 6.037 1.00 61.52 H new ATOM 572 N LYS A 36 -2.511 6.061 5.834 1.00 22.51 N ATOM 573 CA LYS A 36 -3.239 7.106 5.111 1.00 31.44 C ATOM 574 C LYS A 36 -3.070 6.916 3.602 1.00 21.32 C ATOM 575 O LYS A 36 -2.100 6.251 3.206 1.00 53.54 O ATOM 576 CB LYS A 36 -2.798 8.498 5.601 1.00 74.23 C ATOM 577 CG LYS A 36 -1.406 9.010 5.208 1.00 73.42 C ATOM 578 CD LYS A 36 -1.380 10.517 5.511 1.00 44.20 C ATOM 579 CE LYS A 36 0.003 11.135 5.314 1.00 41.31 C ATOM 580 NZ LYS A 36 -0.062 12.604 5.398 1.00 53.51 N ATOM 0 H LYS A 36 -1.613 5.826 5.411 1.00 22.51 H new ATOM 0 HA LYS A 36 -4.306 7.027 5.319 1.00 31.44 H new ATOM 0 HB2 LYS A 36 -3.530 9.222 5.243 1.00 74.23 H new ATOM 0 HB3 LYS A 36 -2.855 8.499 6.689 1.00 74.23 H new ATOM 0 HG2 LYS A 36 -0.631 8.490 5.771 1.00 73.42 H new ATOM 0 HG3 LYS A 36 -1.211 8.826 4.152 1.00 73.42 H new ATOM 0 HD2 LYS A 36 -2.096 11.026 4.865 1.00 44.20 H new ATOM 0 HD3 LYS A 36 -1.704 10.682 6.538 1.00 44.20 H new ATOM 0 HE2 LYS A 36 0.688 10.753 6.071 1.00 41.31 H new ATOM 0 HE3 LYS A 36 0.403 10.839 4.344 1.00 41.31 H new ATOM 0 HZ1 LYS A 36 0.889 13.002 5.261 1.00 53.51 H new ATOM 0 HZ2 LYS A 36 -0.698 12.966 4.659 1.00 53.51 H new ATOM 0 HZ3 LYS A 36 -0.423 12.883 6.333 1.00 53.51 H new ATOM 594 N PRO A 37 -3.963 7.451 2.751 1.00 73.52 N ATOM 595 CA PRO A 37 -3.831 7.297 1.311 1.00 2.32 C ATOM 596 C PRO A 37 -2.591 8.052 0.816 1.00 14.12 C ATOM 597 O PRO A 37 -2.251 9.127 1.309 1.00 44.44 O ATOM 598 CB PRO A 37 -5.148 7.808 0.718 1.00 22.45 C ATOM 599 CG PRO A 37 -5.627 8.829 1.748 1.00 64.24 C ATOM 600 CD PRO A 37 -5.148 8.240 3.072 1.00 72.33 C ATOM 0 HA PRO A 37 -3.674 6.264 1.000 1.00 2.32 H new ATOM 0 HB2 PRO A 37 -4.998 8.264 -0.260 1.00 22.45 H new ATOM 0 HB3 PRO A 37 -5.869 7.001 0.586 1.00 22.45 H new ATOM 0 HG2 PRO A 37 -5.198 9.815 1.567 1.00 64.24 H new ATOM 0 HG3 PRO A 37 -6.711 8.944 1.727 1.00 64.24 H new ATOM 0 HD2 PRO A 37 -4.911 9.028 3.787 1.00 72.33 H new ATOM 0 HD3 PRO A 37 -5.920 7.619 3.526 1.00 72.33 H new ATOM 608 N LEU A 38 -1.922 7.469 -0.174 1.00 44.43 N ATOM 609 CA LEU A 38 -0.711 7.984 -0.825 1.00 35.11 C ATOM 610 C LEU A 38 -1.047 8.449 -2.242 1.00 73.02 C ATOM 611 O LEU A 38 -2.154 8.182 -2.724 1.00 25.00 O ATOM 612 CB LEU A 38 0.346 6.869 -0.898 1.00 35.14 C ATOM 613 CG LEU A 38 0.903 6.455 0.478 1.00 44.20 C ATOM 614 CD1 LEU A 38 1.534 5.063 0.388 1.00 34.22 C ATOM 615 CD2 LEU A 38 1.939 7.448 1.011 1.00 41.34 C ATOM 0 H LEU A 38 -2.222 6.577 -0.568 1.00 44.43 H new ATOM 0 HA LEU A 38 -0.322 8.823 -0.248 1.00 35.11 H new ATOM 0 HB2 LEU A 38 -0.092 5.996 -1.381 1.00 35.14 H new ATOM 0 HB3 LEU A 38 1.170 7.202 -1.529 1.00 35.14 H new ATOM 0 HG LEU A 38 0.064 6.446 1.174 1.00 44.20 H new ATOM 0 HD11 LEU A 38 1.926 4.777 1.364 1.00 34.22 H new ATOM 0 HD12 LEU A 38 0.780 4.341 0.074 1.00 34.22 H new ATOM 0 HD13 LEU A 38 2.346 5.078 -0.338 1.00 34.22 H new ATOM 0 HD21 LEU A 38 2.300 7.111 1.983 1.00 41.34 H new ATOM 0 HD22 LEU A 38 2.775 7.510 0.315 1.00 41.34 H new ATOM 0 HD23 LEU A 38 1.480 8.431 1.116 1.00 41.34 H new ATOM 627 N LYS A 39 -0.137 9.185 -2.894 1.00 43.21 N ATOM 628 CA LYS A 39 -0.317 9.663 -4.270 1.00 54.12 C ATOM 629 C LYS A 39 -0.665 8.464 -5.163 1.00 32.24 C ATOM 630 O LYS A 39 -0.252 7.330 -4.887 1.00 14.42 O ATOM 631 CB LYS A 39 0.992 10.350 -4.726 1.00 72.24 C ATOM 632 CG LYS A 39 1.064 10.809 -6.202 1.00 24.33 C ATOM 633 CD LYS A 39 2.316 10.273 -6.916 1.00 54.52 C ATOM 634 CE LYS A 39 2.464 10.916 -8.301 1.00 74.40 C ATOM 635 NZ LYS A 39 3.547 10.294 -9.088 1.00 74.34 N ATOM 0 H LYS A 39 0.751 9.467 -2.478 1.00 43.21 H new ATOM 0 HA LYS A 39 -1.128 10.388 -4.337 1.00 54.12 H new ATOM 0 HB2 LYS A 39 1.157 11.221 -4.091 1.00 72.24 H new ATOM 0 HB3 LYS A 39 1.818 9.662 -4.544 1.00 72.24 H new ATOM 0 HG2 LYS A 39 0.173 10.469 -6.730 1.00 24.33 H new ATOM 0 HG3 LYS A 39 1.063 11.898 -6.243 1.00 24.33 H new ATOM 0 HD2 LYS A 39 3.201 10.482 -6.315 1.00 54.52 H new ATOM 0 HD3 LYS A 39 2.248 9.190 -7.017 1.00 54.52 H new ATOM 0 HE2 LYS A 39 1.524 10.826 -8.845 1.00 74.40 H new ATOM 0 HE3 LYS A 39 2.665 11.981 -8.186 1.00 74.40 H new ATOM 0 HZ1 LYS A 39 4.234 11.022 -9.369 1.00 74.34 H new ATOM 0 HZ2 LYS A 39 4.024 9.572 -8.512 1.00 74.34 H new ATOM 0 HZ3 LYS A 39 3.147 9.849 -9.939 1.00 74.34 H new ATOM 649 N ILE A 40 -1.501 8.666 -6.178 1.00 43.10 N ATOM 650 CA ILE A 40 -1.850 7.583 -7.081 1.00 44.12 C ATOM 651 C ILE A 40 -0.575 7.207 -7.847 1.00 73.11 C ATOM 652 O ILE A 40 0.239 8.074 -8.153 1.00 72.24 O ATOM 653 CB ILE A 40 -3.019 8.003 -7.997 1.00 1.14 C ATOM 654 CG1 ILE A 40 -3.479 6.859 -8.919 1.00 1.51 C ATOM 655 CG2 ILE A 40 -2.699 9.236 -8.860 1.00 30.53 C ATOM 656 CD1 ILE A 40 -3.884 5.586 -8.171 1.00 24.23 C ATOM 0 H ILE A 40 -1.943 9.560 -6.391 1.00 43.10 H new ATOM 0 HA ILE A 40 -2.207 6.704 -6.545 1.00 44.12 H new ATOM 0 HB ILE A 40 -3.826 8.262 -7.312 1.00 1.14 H new ATOM 0 HG12 ILE A 40 -4.324 7.203 -9.515 1.00 1.51 H new ATOM 0 HG13 ILE A 40 -2.675 6.620 -9.615 1.00 1.51 H new ATOM 0 HG21 ILE A 40 -3.561 9.479 -9.481 1.00 30.53 H new ATOM 0 HG22 ILE A 40 -2.467 10.082 -8.213 1.00 30.53 H new ATOM 0 HG23 ILE A 40 -1.842 9.021 -9.498 1.00 30.53 H new ATOM 0 HD11 ILE A 40 -4.196 4.826 -8.888 1.00 24.23 H new ATOM 0 HD12 ILE A 40 -3.035 5.216 -7.596 1.00 24.23 H new ATOM 0 HD13 ILE A 40 -4.710 5.808 -7.495 1.00 24.23 H new ATOM 668 N GLY A 41 -0.372 5.918 -8.111 1.00 63.33 N ATOM 669 CA GLY A 41 0.793 5.441 -8.843 1.00 52.11 C ATOM 670 C GLY A 41 2.135 5.635 -8.140 1.00 11.05 C ATOM 671 O GLY A 41 3.150 5.329 -8.745 1.00 61.41 O ATOM 0 H GLY A 41 -1.011 5.178 -7.823 1.00 63.33 H new ATOM 0 HA2 GLY A 41 0.661 4.379 -9.050 1.00 52.11 H new ATOM 0 HA3 GLY A 41 0.830 5.951 -9.806 1.00 52.11 H new ATOM 675 N ILE A 42 2.160 6.009 -6.858 1.00 1.03 N ATOM 676 CA ILE A 42 3.350 6.250 -6.047 1.00 65.33 C ATOM 677 C ILE A 42 4.372 5.091 -6.111 1.00 14.03 C ATOM 678 O ILE A 42 5.568 5.322 -5.949 1.00 35.40 O ATOM 679 CB ILE A 42 2.902 6.628 -4.626 1.00 35.52 C ATOM 680 CG1 ILE A 42 4.085 7.252 -3.875 1.00 53.20 C ATOM 681 CG2 ILE A 42 2.229 5.431 -3.932 1.00 1.21 C ATOM 682 CD1 ILE A 42 3.804 7.637 -2.425 1.00 72.33 C ATOM 0 H ILE A 42 1.300 6.159 -6.331 1.00 1.03 H new ATOM 0 HA ILE A 42 3.910 7.090 -6.459 1.00 65.33 H new ATOM 0 HB ILE A 42 2.126 7.394 -4.646 1.00 35.52 H new ATOM 0 HG12 ILE A 42 4.918 6.549 -3.893 1.00 53.20 H new ATOM 0 HG13 ILE A 42 4.408 8.142 -4.414 1.00 53.20 H new ATOM 0 HG21 ILE A 42 1.919 5.720 -2.928 1.00 1.21 H new ATOM 0 HG22 ILE A 42 1.356 5.122 -4.506 1.00 1.21 H new ATOM 0 HG23 ILE A 42 2.935 4.603 -3.870 1.00 1.21 H new ATOM 0 HD11 ILE A 42 4.702 8.069 -1.983 1.00 72.33 H new ATOM 0 HD12 ILE A 42 2.996 8.368 -2.393 1.00 72.33 H new ATOM 0 HD13 ILE A 42 3.513 6.750 -1.863 1.00 72.33 H new ATOM 694 N PHE A 43 3.948 3.834 -6.325 1.00 61.32 N ATOM 695 CA PHE A 43 4.888 2.723 -6.437 1.00 42.25 C ATOM 696 C PHE A 43 5.854 2.999 -7.598 1.00 30.34 C ATOM 697 O PHE A 43 7.019 2.642 -7.500 1.00 75.14 O ATOM 698 CB PHE A 43 4.141 1.395 -6.674 1.00 1.42 C ATOM 699 CG PHE A 43 4.841 0.437 -7.631 1.00 10.14 C ATOM 700 CD1 PHE A 43 4.426 0.377 -8.973 1.00 70.33 C ATOM 701 CD2 PHE A 43 5.953 -0.325 -7.219 1.00 50.53 C ATOM 702 CE1 PHE A 43 5.099 -0.451 -9.887 1.00 54.34 C ATOM 703 CE2 PHE A 43 6.658 -1.115 -8.145 1.00 54.43 C ATOM 704 CZ PHE A 43 6.222 -1.188 -9.479 1.00 72.24 C ATOM 0 H PHE A 43 2.967 3.570 -6.422 1.00 61.32 H new ATOM 0 HA PHE A 43 5.446 2.634 -5.505 1.00 42.25 H new ATOM 0 HB2 PHE A 43 4.003 0.895 -5.716 1.00 1.42 H new ATOM 0 HB3 PHE A 43 3.147 1.616 -7.064 1.00 1.42 H new ATOM 0 HD1 PHE A 43 3.586 0.970 -9.303 1.00 70.33 H new ATOM 0 HD2 PHE A 43 6.266 -0.302 -6.186 1.00 50.53 H new ATOM 0 HE1 PHE A 43 4.751 -0.521 -10.907 1.00 54.34 H new ATOM 0 HE2 PHE A 43 7.533 -1.665 -7.831 1.00 54.43 H new ATOM 0 HZ PHE A 43 6.749 -1.809 -10.188 1.00 72.24 H new ATOM 714 N ASP A 44 5.369 3.596 -8.685 1.00 1.53 N ATOM 715 CA ASP A 44 6.131 3.923 -9.885 1.00 63.13 C ATOM 716 C ASP A 44 7.230 4.941 -9.596 1.00 65.33 C ATOM 717 O ASP A 44 8.236 4.980 -10.296 1.00 25.15 O ATOM 718 CB ASP A 44 5.168 4.450 -10.948 1.00 22.40 C ATOM 719 CG ASP A 44 5.723 4.310 -12.357 1.00 43.42 C ATOM 720 OD1 ASP A 44 5.817 3.155 -12.826 1.00 21.15 O ATOM 721 OD2 ASP A 44 5.808 5.330 -13.077 1.00 3.15 O ATOM 0 H ASP A 44 4.391 3.877 -8.755 1.00 1.53 H new ATOM 0 HA ASP A 44 6.626 3.022 -10.247 1.00 63.13 H new ATOM 0 HB2 ASP A 44 4.224 3.910 -10.878 1.00 22.40 H new ATOM 0 HB3 ASP A 44 4.951 5.499 -10.749 1.00 22.40 H new ATOM 726 N ASP A 45 7.022 5.800 -8.603 1.00 2.43 N ATOM 727 CA ASP A 45 7.984 6.812 -8.181 1.00 21.14 C ATOM 728 C ASP A 45 9.082 6.152 -7.337 1.00 3.51 C ATOM 729 O ASP A 45 10.273 6.427 -7.447 1.00 42.11 O ATOM 730 CB ASP A 45 7.288 7.853 -7.283 1.00 45.33 C ATOM 731 CG ASP A 45 6.292 8.770 -7.975 1.00 4.21 C ATOM 732 OD1 ASP A 45 5.237 9.049 -7.367 1.00 2.21 O ATOM 733 OD2 ASP A 45 6.540 9.208 -9.122 1.00 41.31 O ATOM 0 H ASP A 45 6.160 5.812 -8.057 1.00 2.43 H new ATOM 0 HA ASP A 45 8.401 7.285 -9.070 1.00 21.14 H new ATOM 0 HB2 ASP A 45 6.770 7.325 -6.482 1.00 45.33 H new ATOM 0 HB3 ASP A 45 8.055 8.470 -6.814 1.00 45.33 H new ATOM 738 N LEU A 46 8.633 5.290 -6.429 1.00 61.23 N ATOM 739 CA LEU A 46 9.385 4.531 -5.448 1.00 4.22 C ATOM 740 C LEU A 46 10.246 3.428 -6.034 1.00 72.21 C ATOM 741 O LEU A 46 11.356 3.204 -5.546 1.00 12.44 O ATOM 742 CB LEU A 46 8.356 3.950 -4.465 1.00 31.31 C ATOM 743 CG LEU A 46 8.823 2.742 -3.631 1.00 35.44 C ATOM 744 CD1 LEU A 46 9.836 3.142 -2.558 1.00 25.21 C ATOM 745 CD2 LEU A 46 7.602 2.073 -3.005 1.00 3.23 C ATOM 0 H LEU A 46 7.635 5.090 -6.360 1.00 61.23 H new ATOM 0 HA LEU A 46 10.097 5.199 -4.963 1.00 4.22 H new ATOM 0 HB2 LEU A 46 8.050 4.742 -3.781 1.00 31.31 H new ATOM 0 HB3 LEU A 46 7.471 3.656 -5.029 1.00 31.31 H new ATOM 0 HG LEU A 46 9.332 2.039 -4.291 1.00 35.44 H new ATOM 0 HD11 LEU A 46 10.137 2.259 -1.995 1.00 25.21 H new ATOM 0 HD12 LEU A 46 10.711 3.586 -3.032 1.00 25.21 H new ATOM 0 HD13 LEU A 46 9.383 3.867 -1.882 1.00 25.21 H new ATOM 0 HD21 LEU A 46 7.921 1.216 -2.412 1.00 3.23 H new ATOM 0 HD22 LEU A 46 7.085 2.786 -2.363 1.00 3.23 H new ATOM 0 HD23 LEU A 46 6.927 1.738 -3.792 1.00 3.23 H new ATOM 757 N ILE A 47 9.753 2.730 -7.054 1.00 41.23 N ATOM 758 CA ILE A 47 10.464 1.621 -7.685 1.00 51.12 C ATOM 759 C ILE A 47 11.834 2.103 -8.166 1.00 74.52 C ATOM 760 O ILE A 47 12.795 1.341 -8.127 1.00 43.53 O ATOM 761 CB ILE A 47 9.610 1.035 -8.840 1.00 22.22 C ATOM 762 CG1 ILE A 47 9.951 -0.429 -9.179 1.00 40.34 C ATOM 763 CG2 ILE A 47 9.616 1.921 -10.096 1.00 75.33 C ATOM 764 CD1 ILE A 47 11.076 -0.643 -10.190 1.00 4.13 C ATOM 0 H ILE A 47 8.841 2.920 -7.469 1.00 41.23 H new ATOM 0 HA ILE A 47 10.627 0.820 -6.964 1.00 51.12 H new ATOM 0 HB ILE A 47 8.590 1.030 -8.455 1.00 22.22 H new ATOM 0 HG12 ILE A 47 10.219 -0.941 -8.255 1.00 40.34 H new ATOM 0 HG13 ILE A 47 9.051 -0.911 -9.561 1.00 40.34 H new ATOM 0 HG21 ILE A 47 9.002 1.460 -10.870 1.00 75.33 H new ATOM 0 HG22 ILE A 47 9.213 2.903 -9.850 1.00 75.33 H new ATOM 0 HG23 ILE A 47 10.638 2.029 -10.460 1.00 75.33 H new ATOM 0 HD11 ILE A 47 11.225 -1.711 -10.348 1.00 4.13 H new ATOM 0 HD12 ILE A 47 10.810 -0.170 -11.135 1.00 4.13 H new ATOM 0 HD13 ILE A 47 11.997 -0.201 -9.809 1.00 4.13 H new ATOM 776 N ASP A 48 11.944 3.381 -8.545 1.00 31.23 N ATOM 777 CA ASP A 48 13.190 3.949 -9.040 1.00 20.24 C ATOM 778 C ASP A 48 14.301 3.816 -8.002 1.00 32.52 C ATOM 779 O ASP A 48 15.462 3.622 -8.345 1.00 63.24 O ATOM 780 CB ASP A 48 12.996 5.426 -9.397 1.00 4.53 C ATOM 781 CG ASP A 48 12.214 5.668 -10.688 1.00 61.45 C ATOM 782 OD1 ASP A 48 11.709 6.793 -10.874 1.00 55.14 O ATOM 783 OD2 ASP A 48 12.084 4.746 -11.530 1.00 72.33 O ATOM 0 H ASP A 48 11.170 4.045 -8.515 1.00 31.23 H new ATOM 0 HA ASP A 48 13.479 3.396 -9.934 1.00 20.24 H new ATOM 0 HB2 ASP A 48 12.478 5.921 -8.575 1.00 4.53 H new ATOM 0 HB3 ASP A 48 13.975 5.897 -9.486 1.00 4.53 H new ATOM 788 N PHE A 49 13.965 3.920 -6.717 1.00 4.15 N ATOM 789 CA PHE A 49 14.937 3.800 -5.637 1.00 64.24 C ATOM 790 C PHE A 49 15.455 2.356 -5.535 1.00 3.41 C ATOM 791 O PHE A 49 16.603 2.140 -5.157 1.00 2.03 O ATOM 792 CB PHE A 49 14.297 4.280 -4.329 1.00 14.11 C ATOM 793 CG PHE A 49 15.219 4.693 -3.192 1.00 24.05 C ATOM 794 CD1 PHE A 49 14.623 5.110 -1.991 1.00 44.21 C ATOM 795 CD2 PHE A 49 16.629 4.696 -3.290 1.00 53.44 C ATOM 796 CE1 PHE A 49 15.414 5.511 -0.907 1.00 54.53 C ATOM 797 CE2 PHE A 49 17.421 5.076 -2.192 1.00 13.32 C ATOM 798 CZ PHE A 49 16.810 5.480 -0.995 1.00 33.15 C ATOM 0 H PHE A 49 13.011 4.090 -6.398 1.00 4.15 H new ATOM 0 HA PHE A 49 15.802 4.430 -5.844 1.00 64.24 H new ATOM 0 HB2 PHE A 49 13.655 5.129 -4.563 1.00 14.11 H new ATOM 0 HB3 PHE A 49 13.650 3.483 -3.962 1.00 14.11 H new ATOM 0 HD1 PHE A 49 13.547 5.122 -1.902 1.00 44.21 H new ATOM 0 HD2 PHE A 49 17.102 4.404 -4.216 1.00 53.44 H new ATOM 0 HE1 PHE A 49 14.942 5.847 0.005 1.00 54.53 H new ATOM 0 HE2 PHE A 49 18.498 5.057 -2.270 1.00 13.32 H new ATOM 0 HZ PHE A 49 17.414 5.765 -0.146 1.00 33.15 H new ATOM 808 N TYR A 50 14.626 1.355 -5.858 1.00 11.52 N ATOM 809 CA TYR A 50 15.036 -0.049 -5.811 1.00 53.32 C ATOM 810 C TYR A 50 16.136 -0.279 -6.859 1.00 4.30 C ATOM 811 O TYR A 50 17.023 -1.109 -6.662 1.00 64.13 O ATOM 812 CB TYR A 50 13.833 -0.990 -5.991 1.00 32.11 C ATOM 813 CG TYR A 50 14.014 -2.138 -6.968 1.00 53.12 C ATOM 814 CD1 TYR A 50 14.446 -3.401 -6.534 1.00 21.21 C ATOM 815 CD2 TYR A 50 13.712 -1.941 -8.324 1.00 0.30 C ATOM 816 CE1 TYR A 50 14.563 -4.460 -7.454 1.00 11.53 C ATOM 817 CE2 TYR A 50 13.849 -2.981 -9.254 1.00 63.22 C ATOM 818 CZ TYR A 50 14.268 -4.254 -8.818 1.00 2.13 C ATOM 819 OH TYR A 50 14.388 -5.276 -9.704 1.00 43.34 O ATOM 0 H TYR A 50 13.661 1.496 -6.156 1.00 11.52 H new ATOM 0 HA TYR A 50 15.446 -0.283 -4.828 1.00 53.32 H new ATOM 0 HB2 TYR A 50 13.577 -1.407 -5.017 1.00 32.11 H new ATOM 0 HB3 TYR A 50 12.980 -0.395 -6.317 1.00 32.11 H new ATOM 0 HD1 TYR A 50 14.689 -3.560 -5.494 1.00 21.21 H new ATOM 0 HD2 TYR A 50 13.368 -0.973 -8.657 1.00 0.30 H new ATOM 0 HE1 TYR A 50 14.880 -5.435 -7.114 1.00 11.53 H new ATOM 0 HE2 TYR A 50 13.635 -2.808 -10.298 1.00 63.22 H new ATOM 0 HH TYR A 50 14.145 -4.962 -10.600 1.00 43.34 H new ATOM 829 N GLU A 51 16.103 0.474 -7.964 1.00 42.42 N ATOM 830 CA GLU A 51 17.087 0.373 -9.039 1.00 33.23 C ATOM 831 C GLU A 51 18.450 0.931 -8.581 1.00 73.03 C ATOM 832 O GLU A 51 19.467 0.719 -9.248 1.00 14.23 O ATOM 833 CB GLU A 51 16.573 1.063 -10.313 1.00 23.52 C ATOM 834 CG GLU A 51 15.310 0.378 -10.856 1.00 13.12 C ATOM 835 CD GLU A 51 15.587 -0.795 -11.805 1.00 5.20 C ATOM 836 OE1 GLU A 51 15.138 -0.748 -12.976 1.00 50.35 O ATOM 837 OE2 GLU A 51 16.132 -1.828 -11.339 1.00 50.12 O ATOM 0 H GLU A 51 15.384 1.177 -8.136 1.00 42.42 H new ATOM 0 HA GLU A 51 17.236 -0.679 -9.283 1.00 33.23 H new ATOM 0 HB2 GLU A 51 16.357 2.110 -10.099 1.00 23.52 H new ATOM 0 HB3 GLU A 51 17.352 1.048 -11.075 1.00 23.52 H new ATOM 0 HG2 GLU A 51 14.716 0.018 -10.016 1.00 13.12 H new ATOM 0 HG3 GLU A 51 14.705 1.119 -11.379 1.00 13.12 H new ATOM 844 N ARG A 52 18.483 1.648 -7.449 1.00 10.35 N ATOM 845 CA ARG A 52 19.677 2.243 -6.842 1.00 51.30 C ATOM 846 C ARG A 52 20.353 1.277 -5.865 1.00 3.22 C ATOM 847 O ARG A 52 21.515 1.486 -5.507 1.00 54.24 O ATOM 848 CB ARG A 52 19.286 3.538 -6.107 1.00 44.33 C ATOM 849 CG ARG A 52 20.414 4.576 -5.992 1.00 40.24 C ATOM 850 CD ARG A 52 20.754 5.243 -7.332 1.00 51.33 C ATOM 851 NE ARG A 52 21.806 6.256 -7.157 1.00 11.43 N ATOM 852 CZ ARG A 52 21.993 7.348 -7.907 1.00 52.31 C ATOM 853 NH1 ARG A 52 21.331 7.550 -9.040 1.00 22.51 N ATOM 854 NH2 ARG A 52 22.858 8.269 -7.514 1.00 4.55 N ATOM 0 H ARG A 52 17.639 1.836 -6.909 1.00 10.35 H new ATOM 0 HA ARG A 52 20.388 2.465 -7.637 1.00 51.30 H new ATOM 0 HB2 ARG A 52 18.443 3.994 -6.626 1.00 44.33 H new ATOM 0 HB3 ARG A 52 18.943 3.282 -5.105 1.00 44.33 H new ATOM 0 HG2 ARG A 52 20.123 5.343 -5.274 1.00 40.24 H new ATOM 0 HG3 ARG A 52 21.307 4.092 -5.596 1.00 40.24 H new ATOM 0 HD2 ARG A 52 21.084 4.488 -8.046 1.00 51.33 H new ATOM 0 HD3 ARG A 52 19.861 5.708 -7.749 1.00 51.33 H new ATOM 0 HE ARG A 52 22.458 6.111 -6.386 1.00 11.43 H new ATOM 0 HH11 ARG A 52 20.653 6.860 -9.365 1.00 22.51 H new ATOM 0 HH12 ARG A 52 21.500 8.395 -9.586 1.00 22.51 H new ATOM 0 HH21 ARG A 52 23.377 8.144 -6.645 1.00 4.55 H new ATOM 0 HH22 ARG A 52 23.006 9.104 -8.080 1.00 4.55 H new ATOM 868 N LEU A 53 19.658 0.246 -5.373 1.00 62.53 N ATOM 869 CA LEU A 53 20.230 -0.724 -4.461 1.00 64.24 C ATOM 870 C LEU A 53 21.366 -1.423 -5.194 1.00 44.21 C ATOM 871 O LEU A 53 21.185 -1.883 -6.322 1.00 23.44 O ATOM 872 CB LEU A 53 19.163 -1.724 -4.013 1.00 74.24 C ATOM 873 CG LEU A 53 17.907 -1.061 -3.428 1.00 70.54 C ATOM 874 CD1 LEU A 53 16.957 -2.166 -2.954 1.00 24.23 C ATOM 875 CD2 LEU A 53 18.236 -0.019 -2.351 1.00 44.00 C ATOM 0 H LEU A 53 18.680 0.069 -5.603 1.00 62.53 H new ATOM 0 HA LEU A 53 20.610 -0.237 -3.563 1.00 64.24 H new ATOM 0 HB2 LEU A 53 18.875 -2.341 -4.864 1.00 74.24 H new ATOM 0 HB3 LEU A 53 19.593 -2.391 -3.266 1.00 74.24 H new ATOM 0 HG LEU A 53 17.402 -0.481 -4.200 1.00 70.54 H new ATOM 0 HD11 LEU A 53 16.057 -1.717 -2.534 1.00 24.23 H new ATOM 0 HD12 LEU A 53 16.686 -2.800 -3.798 1.00 24.23 H new ATOM 0 HD13 LEU A 53 17.451 -2.768 -2.192 1.00 24.23 H new ATOM 0 HD21 LEU A 53 17.312 0.417 -1.973 1.00 44.00 H new ATOM 0 HD22 LEU A 53 18.772 -0.499 -1.532 1.00 44.00 H new ATOM 0 HD23 LEU A 53 18.858 0.766 -2.782 1.00 44.00 H new ATOM 887 N ASP A 54 22.539 -1.482 -4.572 1.00 5.44 N ATOM 888 CA ASP A 54 23.725 -2.109 -5.154 1.00 44.31 C ATOM 889 C ASP A 54 23.503 -3.599 -5.397 1.00 64.33 C ATOM 890 O ASP A 54 23.995 -4.162 -6.373 1.00 41.03 O ATOM 891 CB ASP A 54 24.913 -1.892 -4.217 1.00 13.52 C ATOM 892 CG ASP A 54 26.199 -2.493 -4.781 1.00 11.21 C ATOM 893 OD1 ASP A 54 26.841 -1.825 -5.619 1.00 54.52 O ATOM 894 OD2 ASP A 54 26.599 -3.597 -4.344 1.00 13.13 O ATOM 0 H ASP A 54 22.697 -1.093 -3.642 1.00 5.44 H new ATOM 0 HA ASP A 54 23.929 -1.648 -6.121 1.00 44.31 H new ATOM 0 HB2 ASP A 54 25.054 -0.824 -4.050 1.00 13.52 H new ATOM 0 HB3 ASP A 54 24.697 -2.340 -3.247 1.00 13.52 H new ATOM 899 N THR A 55 22.726 -4.232 -4.524 1.00 65.33 N ATOM 900 CA THR A 55 22.383 -5.642 -4.575 1.00 31.31 C ATOM 901 C THR A 55 20.915 -5.769 -4.146 1.00 5.33 C ATOM 902 O THR A 55 20.655 -6.025 -2.968 1.00 14.25 O ATOM 903 CB THR A 55 23.371 -6.471 -3.722 1.00 22.44 C ATOM 904 OG1 THR A 55 23.865 -5.757 -2.597 1.00 70.43 O ATOM 905 CG2 THR A 55 24.582 -6.896 -4.552 1.00 14.14 C ATOM 0 H THR A 55 22.302 -3.753 -3.730 1.00 65.33 H new ATOM 0 HA THR A 55 22.478 -6.051 -5.581 1.00 31.31 H new ATOM 0 HB THR A 55 22.802 -7.335 -3.378 1.00 22.44 H new ATOM 0 HG1 THR A 55 24.482 -6.327 -2.093 1.00 70.43 H new ATOM 0 HG21 THR A 55 25.263 -7.478 -3.931 1.00 14.14 H new ATOM 0 HG22 THR A 55 24.251 -7.503 -5.394 1.00 14.14 H new ATOM 0 HG23 THR A 55 25.097 -6.010 -4.924 1.00 14.14 H new ATOM 913 N PRO A 56 19.949 -5.504 -5.046 1.00 21.32 N ATOM 914 CA PRO A 56 18.521 -5.601 -4.754 1.00 72.25 C ATOM 915 C PRO A 56 18.125 -7.084 -4.565 1.00 54.35 C ATOM 916 O PRO A 56 18.159 -7.825 -5.553 1.00 51.03 O ATOM 917 CB PRO A 56 17.805 -4.967 -5.961 1.00 25.53 C ATOM 918 CG PRO A 56 18.887 -4.539 -6.953 1.00 31.45 C ATOM 919 CD PRO A 56 20.172 -5.180 -6.448 1.00 32.13 C ATOM 0 HA PRO A 56 18.247 -5.087 -3.833 1.00 72.25 H new ATOM 0 HB2 PRO A 56 17.121 -5.680 -6.421 1.00 25.53 H new ATOM 0 HB3 PRO A 56 17.209 -4.110 -5.648 1.00 25.53 H new ATOM 0 HG2 PRO A 56 18.650 -4.875 -7.962 1.00 31.45 H new ATOM 0 HG3 PRO A 56 18.978 -3.453 -6.992 1.00 31.45 H new ATOM 0 HD2 PRO A 56 20.409 -6.077 -7.020 1.00 32.13 H new ATOM 0 HD3 PRO A 56 21.015 -4.498 -6.559 1.00 32.13 H new ATOM 927 N PRO A 57 17.742 -7.562 -3.364 1.00 55.42 N ATOM 928 CA PRO A 57 17.381 -8.965 -3.164 1.00 45.10 C ATOM 929 C PRO A 57 15.958 -9.349 -3.611 1.00 1.04 C ATOM 930 O PRO A 57 15.717 -10.525 -3.904 1.00 24.45 O ATOM 931 CB PRO A 57 17.555 -9.181 -1.657 1.00 41.43 C ATOM 932 CG PRO A 57 17.155 -7.830 -1.066 1.00 75.23 C ATOM 933 CD PRO A 57 17.657 -6.829 -2.104 1.00 73.34 C ATOM 0 HA PRO A 57 18.011 -9.601 -3.786 1.00 45.10 H new ATOM 0 HB2 PRO A 57 16.919 -9.986 -1.289 1.00 41.43 H new ATOM 0 HB3 PRO A 57 18.582 -9.444 -1.403 1.00 41.43 H new ATOM 0 HG2 PRO A 57 16.077 -7.756 -0.925 1.00 75.23 H new ATOM 0 HG3 PRO A 57 17.616 -7.665 -0.092 1.00 75.23 H new ATOM 0 HD2 PRO A 57 16.976 -5.982 -2.191 1.00 73.34 H new ATOM 0 HD3 PRO A 57 18.630 -6.428 -1.820 1.00 73.34 H new ATOM 941 N PHE A 58 14.982 -8.437 -3.563 1.00 35.13 N ATOM 942 CA PHE A 58 13.587 -8.680 -3.955 1.00 0.21 C ATOM 943 C PHE A 58 13.295 -8.120 -5.349 1.00 65.44 C ATOM 944 O PHE A 58 13.993 -7.226 -5.822 1.00 53.53 O ATOM 945 CB PHE A 58 12.624 -8.074 -2.916 1.00 44.55 C ATOM 946 CG PHE A 58 12.788 -6.578 -2.712 1.00 22.10 C ATOM 947 CD1 PHE A 58 13.513 -6.087 -1.609 1.00 31.30 C ATOM 948 CD2 PHE A 58 12.301 -5.675 -3.676 1.00 75.32 C ATOM 949 CE1 PHE A 58 13.779 -4.713 -1.492 1.00 25.22 C ATOM 950 CE2 PHE A 58 12.605 -4.310 -3.579 1.00 5.31 C ATOM 951 CZ PHE A 58 13.336 -3.822 -2.484 1.00 62.31 C ATOM 0 H PHE A 58 15.143 -7.482 -3.242 1.00 35.13 H new ATOM 0 HA PHE A 58 13.431 -9.758 -3.990 1.00 0.21 H new ATOM 0 HB2 PHE A 58 11.599 -8.277 -3.226 1.00 44.55 H new ATOM 0 HB3 PHE A 58 12.774 -8.578 -1.961 1.00 44.55 H new ATOM 0 HD1 PHE A 58 13.866 -6.770 -0.850 1.00 31.30 H new ATOM 0 HD2 PHE A 58 11.692 -6.035 -4.492 1.00 75.32 H new ATOM 0 HE1 PHE A 58 14.325 -4.341 -0.638 1.00 25.22 H new ATOM 0 HE2 PHE A 58 12.275 -3.630 -4.351 1.00 5.31 H new ATOM 0 HZ PHE A 58 13.557 -2.768 -2.405 1.00 62.31 H new ATOM 961 N SER A 59 12.264 -8.637 -6.014 1.00 12.00 N ATOM 962 CA SER A 59 11.818 -8.209 -7.333 1.00 41.30 C ATOM 963 C SER A 59 10.782 -7.084 -7.208 1.00 61.34 C ATOM 964 O SER A 59 9.987 -7.030 -6.262 1.00 63.34 O ATOM 965 CB SER A 59 11.222 -9.411 -8.080 1.00 73.40 C ATOM 966 OG SER A 59 10.607 -9.021 -9.295 1.00 0.05 O ATOM 0 H SER A 59 11.697 -9.394 -5.632 1.00 12.00 H new ATOM 0 HA SER A 59 12.668 -7.823 -7.895 1.00 41.30 H new ATOM 0 HB2 SER A 59 12.008 -10.137 -8.287 1.00 73.40 H new ATOM 0 HB3 SER A 59 10.489 -9.907 -7.444 1.00 73.40 H new ATOM 0 HG SER A 59 10.240 -9.811 -9.744 1.00 0.05 H new ATOM 972 N LYS A 60 10.736 -6.214 -8.221 1.00 72.40 N ATOM 973 CA LYS A 60 9.799 -5.093 -8.315 1.00 74.11 C ATOM 974 C LYS A 60 8.355 -5.585 -8.353 1.00 61.31 C ATOM 975 O LYS A 60 7.469 -4.950 -7.780 1.00 15.25 O ATOM 976 CB LYS A 60 10.150 -4.228 -9.537 1.00 63.03 C ATOM 977 CG LYS A 60 10.117 -4.972 -10.890 1.00 1.44 C ATOM 978 CD LYS A 60 10.720 -4.146 -12.031 1.00 42.24 C ATOM 979 CE LYS A 60 9.839 -2.953 -12.413 1.00 43.21 C ATOM 980 NZ LYS A 60 10.446 -2.136 -13.482 1.00 54.45 N ATOM 0 H LYS A 60 11.367 -6.272 -9.020 1.00 72.40 H new ATOM 0 HA LYS A 60 9.891 -4.473 -7.423 1.00 74.11 H new ATOM 0 HB2 LYS A 60 9.455 -3.390 -9.583 1.00 63.03 H new ATOM 0 HB3 LYS A 60 11.146 -3.809 -9.393 1.00 63.03 H new ATOM 0 HG2 LYS A 60 10.663 -5.911 -10.798 1.00 1.44 H new ATOM 0 HG3 LYS A 60 9.086 -5.226 -11.136 1.00 1.44 H new ATOM 0 HD2 LYS A 60 11.706 -3.787 -11.735 1.00 42.24 H new ATOM 0 HD3 LYS A 60 10.862 -4.784 -12.903 1.00 42.24 H new ATOM 0 HE2 LYS A 60 8.864 -3.313 -12.741 1.00 43.21 H new ATOM 0 HE3 LYS A 60 9.670 -2.331 -11.534 1.00 43.21 H new ATOM 0 HZ1 LYS A 60 9.817 -1.340 -13.710 1.00 54.45 H new ATOM 0 HZ2 LYS A 60 11.365 -1.770 -13.160 1.00 54.45 H new ATOM 0 HZ3 LYS A 60 10.584 -2.722 -14.330 1.00 54.45 H new ATOM 994 N LYS A 61 8.106 -6.730 -9.001 1.00 10.51 N ATOM 995 CA LYS A 61 6.771 -7.315 -9.096 1.00 4.14 C ATOM 996 C LYS A 61 6.256 -7.592 -7.692 1.00 73.12 C ATOM 997 O LYS A 61 5.142 -7.177 -7.356 1.00 12.03 O ATOM 998 CB LYS A 61 6.818 -8.604 -9.940 1.00 42.23 C ATOM 999 CG LYS A 61 6.227 -8.384 -11.339 1.00 51.11 C ATOM 1000 CD LYS A 61 4.694 -8.352 -11.312 1.00 20.20 C ATOM 1001 CE LYS A 61 4.122 -9.768 -11.352 1.00 52.14 C ATOM 1002 NZ LYS A 61 2.651 -9.764 -11.281 1.00 14.41 N ATOM 0 H LYS A 61 8.828 -7.274 -9.473 1.00 10.51 H new ATOM 0 HA LYS A 61 6.091 -6.621 -9.591 1.00 4.14 H new ATOM 0 HB2 LYS A 61 7.850 -8.944 -10.029 1.00 42.23 H new ATOM 0 HB3 LYS A 61 6.265 -9.394 -9.431 1.00 42.23 H new ATOM 0 HG2 LYS A 61 6.603 -7.446 -11.749 1.00 51.11 H new ATOM 0 HG3 LYS A 61 6.562 -9.180 -12.004 1.00 51.11 H new ATOM 0 HD2 LYS A 61 4.352 -7.842 -10.411 1.00 20.20 H new ATOM 0 HD3 LYS A 61 4.322 -7.780 -12.163 1.00 20.20 H new ATOM 0 HE2 LYS A 61 4.441 -10.263 -12.269 1.00 52.14 H new ATOM 0 HE3 LYS A 61 4.525 -10.347 -10.521 1.00 52.14 H new ATOM 0 HZ1 LYS A 61 2.298 -10.740 -11.345 1.00 14.41 H new ATOM 0 HZ2 LYS A 61 2.348 -9.344 -10.379 1.00 14.41 H new ATOM 0 HZ3 LYS A 61 2.267 -9.205 -12.069 1.00 14.41 H new ATOM 1016 N SER A 62 7.084 -8.267 -6.893 1.00 1.23 N ATOM 1017 CA SER A 62 6.798 -8.635 -5.520 1.00 40.32 C ATOM 1018 C SER A 62 6.554 -7.384 -4.685 1.00 42.33 C ATOM 1019 O SER A 62 5.535 -7.330 -3.997 1.00 71.32 O ATOM 1020 CB SER A 62 7.964 -9.453 -4.955 1.00 72.20 C ATOM 1021 OG SER A 62 8.462 -10.359 -5.929 1.00 43.11 O ATOM 0 H SER A 62 8.004 -8.580 -7.203 1.00 1.23 H new ATOM 0 HA SER A 62 5.896 -9.246 -5.486 1.00 40.32 H new ATOM 0 HB2 SER A 62 8.762 -8.784 -4.633 1.00 72.20 H new ATOM 0 HB3 SER A 62 7.635 -10.004 -4.074 1.00 72.20 H new ATOM 0 HG SER A 62 9.207 -10.870 -5.549 1.00 43.11 H new ATOM 1027 N LEU A 63 7.425 -6.373 -4.807 1.00 25.32 N ATOM 1028 CA LEU A 63 7.345 -5.105 -4.083 1.00 52.20 C ATOM 1029 C LEU A 63 5.958 -4.487 -4.296 1.00 50.34 C ATOM 1030 O LEU A 63 5.235 -4.248 -3.334 1.00 32.22 O ATOM 1031 CB LEU A 63 8.521 -4.196 -4.504 1.00 33.45 C ATOM 1032 CG LEU A 63 8.529 -2.827 -3.790 1.00 32.13 C ATOM 1033 CD1 LEU A 63 9.887 -2.465 -3.194 1.00 5.13 C ATOM 1034 CD2 LEU A 63 8.141 -1.685 -4.733 1.00 52.14 C ATOM 0 H LEU A 63 8.229 -6.421 -5.433 1.00 25.32 H new ATOM 0 HA LEU A 63 7.450 -5.252 -3.008 1.00 52.20 H new ATOM 0 HB2 LEU A 63 9.459 -4.710 -4.297 1.00 33.45 H new ATOM 0 HB3 LEU A 63 8.477 -4.035 -5.581 1.00 33.45 H new ATOM 0 HG LEU A 63 7.796 -2.939 -2.991 1.00 32.13 H new ATOM 0 HD11 LEU A 63 9.823 -1.492 -2.707 1.00 5.13 H new ATOM 0 HD12 LEU A 63 10.175 -3.219 -2.461 1.00 5.13 H new ATOM 0 HD13 LEU A 63 10.634 -2.426 -3.987 1.00 5.13 H new ATOM 0 HD21 LEU A 63 8.160 -0.741 -4.188 1.00 52.14 H new ATOM 0 HD22 LEU A 63 8.849 -1.640 -5.561 1.00 52.14 H new ATOM 0 HD23 LEU A 63 7.138 -1.859 -5.122 1.00 52.14 H new ATOM 1046 N ARG A 64 5.531 -4.309 -5.552 1.00 41.31 N ATOM 1047 CA ARG A 64 4.220 -3.744 -5.851 1.00 33.45 C ATOM 1048 C ARG A 64 3.068 -4.625 -5.370 1.00 65.14 C ATOM 1049 O ARG A 64 2.124 -4.086 -4.796 1.00 24.21 O ATOM 1050 CB ARG A 64 4.124 -3.478 -7.354 1.00 72.51 C ATOM 1051 CG ARG A 64 2.787 -2.916 -7.862 1.00 51.51 C ATOM 1052 CD ARG A 64 2.246 -1.755 -7.015 1.00 12.15 C ATOM 1053 NE ARG A 64 1.403 -0.847 -7.804 1.00 0.31 N ATOM 1054 CZ ARG A 64 0.097 -0.600 -7.658 1.00 53.34 C ATOM 1055 NH1 ARG A 64 -0.667 -1.311 -6.836 1.00 24.35 N ATOM 1056 NH2 ARG A 64 -0.453 0.377 -8.363 1.00 50.22 N ATOM 0 H ARG A 64 6.080 -4.551 -6.377 1.00 41.31 H new ATOM 0 HA ARG A 64 4.123 -2.807 -5.302 1.00 33.45 H new ATOM 0 HB2 ARG A 64 4.915 -2.780 -7.629 1.00 72.51 H new ATOM 0 HB3 ARG A 64 4.325 -4.411 -7.880 1.00 72.51 H new ATOM 0 HG2 ARG A 64 2.912 -2.577 -8.890 1.00 51.51 H new ATOM 0 HG3 ARG A 64 2.048 -3.717 -7.879 1.00 51.51 H new ATOM 0 HD2 ARG A 64 1.669 -2.153 -6.180 1.00 12.15 H new ATOM 0 HD3 ARG A 64 3.080 -1.197 -6.589 1.00 12.15 H new ATOM 0 HE ARG A 64 1.872 -0.342 -8.556 1.00 0.31 H new ATOM 0 HH11 ARG A 64 -0.260 -2.072 -6.292 1.00 24.35 H new ATOM 0 HH12 ARG A 64 -1.660 -1.096 -6.749 1.00 24.35 H new ATOM 0 HH21 ARG A 64 0.118 0.927 -9.005 1.00 50.22 H new ATOM 0 HH22 ARG A 64 -1.448 0.579 -8.264 1.00 50.22 H new ATOM 1070 N GLU A 65 3.092 -5.941 -5.600 1.00 20.52 N ATOM 1071 CA GLU A 65 1.987 -6.796 -5.150 1.00 23.02 C ATOM 1072 C GLU A 65 1.838 -6.723 -3.631 1.00 34.23 C ATOM 1073 O GLU A 65 0.725 -6.687 -3.106 1.00 64.04 O ATOM 1074 CB GLU A 65 2.172 -8.256 -5.595 1.00 55.52 C ATOM 1075 CG GLU A 65 1.059 -8.703 -6.551 1.00 25.41 C ATOM 1076 CD GLU A 65 1.344 -8.277 -7.987 1.00 1.33 C ATOM 1077 OE1 GLU A 65 2.023 -9.057 -8.699 1.00 2.54 O ATOM 1078 OE2 GLU A 65 0.946 -7.158 -8.396 1.00 74.21 O ATOM 0 H GLU A 65 3.845 -6.430 -6.084 1.00 20.52 H new ATOM 0 HA GLU A 65 1.076 -6.421 -5.617 1.00 23.02 H new ATOM 0 HB2 GLU A 65 3.139 -8.367 -6.085 1.00 55.52 H new ATOM 0 HB3 GLU A 65 2.182 -8.905 -4.719 1.00 55.52 H new ATOM 0 HG2 GLU A 65 0.955 -9.787 -6.507 1.00 25.41 H new ATOM 0 HG3 GLU A 65 0.109 -8.278 -6.227 1.00 25.41 H new ATOM 1085 N ALA A 66 2.962 -6.712 -2.919 1.00 62.50 N ATOM 1086 CA ALA A 66 2.969 -6.625 -1.477 1.00 12.13 C ATOM 1087 C ALA A 66 2.410 -5.266 -1.043 1.00 74.25 C ATOM 1088 O ALA A 66 1.652 -5.205 -0.078 1.00 15.53 O ATOM 1089 CB ALA A 66 4.387 -6.835 -0.978 1.00 21.33 C ATOM 0 H ALA A 66 3.892 -6.764 -3.335 1.00 62.50 H new ATOM 0 HA ALA A 66 2.335 -7.398 -1.043 1.00 12.13 H new ATOM 0 HB1 ALA A 66 4.403 -6.771 0.110 1.00 21.33 H new ATOM 0 HB2 ALA A 66 4.740 -7.818 -1.289 1.00 21.33 H new ATOM 0 HB3 ALA A 66 5.037 -6.067 -1.396 1.00 21.33 H new ATOM 1095 N LEU A 67 2.742 -4.188 -1.760 1.00 25.35 N ATOM 1096 CA LEU A 67 2.249 -2.842 -1.473 1.00 30.11 C ATOM 1097 C LEU A 67 0.728 -2.848 -1.577 1.00 54.12 C ATOM 1098 O LEU A 67 0.046 -2.290 -0.715 1.00 61.32 O ATOM 1099 CB LEU A 67 2.853 -1.818 -2.436 1.00 75.24 C ATOM 1100 CG LEU A 67 3.862 -0.871 -1.780 1.00 42.40 C ATOM 1101 CD1 LEU A 67 4.591 -0.096 -2.888 1.00 13.53 C ATOM 1102 CD2 LEU A 67 3.196 0.110 -0.813 1.00 54.31 C ATOM 0 H LEU A 67 3.368 -4.228 -2.564 1.00 25.35 H new ATOM 0 HA LEU A 67 2.548 -2.554 -0.465 1.00 30.11 H new ATOM 0 HB2 LEU A 67 3.344 -2.347 -3.253 1.00 75.24 H new ATOM 0 HB3 LEU A 67 2.049 -1.228 -2.876 1.00 75.24 H new ATOM 0 HG LEU A 67 4.562 -1.467 -1.195 1.00 42.40 H new ATOM 0 HD11 LEU A 67 5.315 0.585 -2.440 1.00 13.53 H new ATOM 0 HD12 LEU A 67 5.109 -0.797 -3.542 1.00 13.53 H new ATOM 0 HD13 LEU A 67 3.867 0.475 -3.469 1.00 13.53 H new ATOM 0 HD21 LEU A 67 3.954 0.759 -0.374 1.00 54.31 H new ATOM 0 HD22 LEU A 67 2.468 0.715 -1.353 1.00 54.31 H new ATOM 0 HD23 LEU A 67 2.691 -0.445 -0.022 1.00 54.31 H new ATOM 1114 N SER A 68 0.190 -3.515 -2.607 1.00 3.43 N ATOM 1115 CA SER A 68 -1.242 -3.634 -2.827 1.00 14.03 C ATOM 1116 C SER A 68 -1.912 -4.281 -1.612 1.00 40.34 C ATOM 1117 O SER A 68 -3.075 -3.991 -1.343 1.00 35.03 O ATOM 1118 CB SER A 68 -1.513 -4.407 -4.127 1.00 2.40 C ATOM 1119 OG SER A 68 -1.007 -3.676 -5.230 1.00 54.32 O ATOM 0 H SER A 68 0.751 -3.990 -3.314 1.00 3.43 H new ATOM 0 HA SER A 68 -1.678 -2.642 -2.943 1.00 14.03 H new ATOM 0 HB2 SER A 68 -1.043 -5.389 -4.082 1.00 2.40 H new ATOM 0 HB3 SER A 68 -2.584 -4.572 -4.247 1.00 2.40 H new ATOM 0 HG SER A 68 -0.028 -3.713 -5.225 1.00 54.32 H new ATOM 1125 N TYR A 69 -1.222 -5.176 -0.896 1.00 33.15 N ATOM 1126 CA TYR A 69 -1.753 -5.827 0.298 1.00 4.13 C ATOM 1127 C TYR A 69 -2.019 -4.760 1.360 1.00 43.14 C ATOM 1128 O TYR A 69 -3.103 -4.734 1.943 1.00 24.21 O ATOM 1129 CB TYR A 69 -0.769 -6.889 0.805 1.00 51.51 C ATOM 1130 CG TYR A 69 -1.392 -8.250 0.943 1.00 40.24 C ATOM 1131 CD1 TYR A 69 -2.133 -8.584 2.090 1.00 51.42 C ATOM 1132 CD2 TYR A 69 -1.227 -9.180 -0.097 1.00 21.44 C ATOM 1133 CE1 TYR A 69 -2.718 -9.857 2.195 1.00 4.14 C ATOM 1134 CE2 TYR A 69 -1.811 -10.448 0.008 1.00 42.13 C ATOM 1135 CZ TYR A 69 -2.571 -10.788 1.146 1.00 42.22 C ATOM 1136 OH TYR A 69 -3.159 -12.008 1.221 1.00 34.12 O ATOM 0 H TYR A 69 -0.274 -5.468 -1.134 1.00 33.15 H new ATOM 0 HA TYR A 69 -2.689 -6.335 0.065 1.00 4.13 H new ATOM 0 HB2 TYR A 69 0.076 -6.950 0.119 1.00 51.51 H new ATOM 0 HB3 TYR A 69 -0.373 -6.577 1.771 1.00 51.51 H new ATOM 0 HD1 TYR A 69 -2.252 -7.865 2.887 1.00 51.42 H new ATOM 0 HD2 TYR A 69 -0.652 -8.918 -0.973 1.00 21.44 H new ATOM 0 HE1 TYR A 69 -3.280 -10.122 3.078 1.00 4.14 H new ATOM 0 HE2 TYR A 69 -1.679 -11.168 -0.786 1.00 42.13 H new ATOM 0 HH TYR A 69 -2.954 -12.520 0.411 1.00 34.12 H new ATOM 1146 N TYR A 70 -1.054 -3.874 1.613 1.00 40.54 N ATOM 1147 CA TYR A 70 -1.203 -2.803 2.596 1.00 72.53 C ATOM 1148 C TYR A 70 -2.257 -1.794 2.158 1.00 3.52 C ATOM 1149 O TYR A 70 -2.899 -1.198 3.025 1.00 53.12 O ATOM 1150 CB TYR A 70 0.156 -2.173 2.938 1.00 21.32 C ATOM 1151 CG TYR A 70 0.845 -2.801 4.142 1.00 52.14 C ATOM 1152 CD1 TYR A 70 0.509 -4.096 4.592 1.00 44.03 C ATOM 1153 CD2 TYR A 70 1.826 -2.068 4.836 1.00 2.55 C ATOM 1154 CE1 TYR A 70 1.098 -4.622 5.747 1.00 74.32 C ATOM 1155 CE2 TYR A 70 2.490 -2.634 5.939 1.00 55.24 C ATOM 1156 CZ TYR A 70 2.105 -3.903 6.423 1.00 51.52 C ATOM 1157 OH TYR A 70 2.686 -4.428 7.537 1.00 53.52 O ATOM 0 H TYR A 70 -0.149 -3.880 1.142 1.00 40.54 H new ATOM 0 HA TYR A 70 -1.575 -3.231 3.527 1.00 72.53 H new ATOM 0 HB2 TYR A 70 0.812 -2.258 2.072 1.00 21.32 H new ATOM 0 HB3 TYR A 70 0.014 -1.109 3.128 1.00 21.32 H new ATOM 0 HD1 TYR A 70 -0.208 -4.685 4.040 1.00 44.03 H new ATOM 0 HD2 TYR A 70 2.070 -1.065 4.519 1.00 2.55 H new ATOM 0 HE1 TYR A 70 0.780 -5.583 6.123 1.00 74.32 H new ATOM 0 HE2 TYR A 70 3.296 -2.097 6.417 1.00 55.24 H new ATOM 0 HH TYR A 70 3.360 -3.805 7.879 1.00 53.52 H new ATOM 1167 N SER A 71 -2.451 -1.600 0.854 1.00 13.43 N ATOM 1168 CA SER A 71 -3.469 -0.703 0.332 1.00 55.21 C ATOM 1169 C SER A 71 -4.856 -1.353 0.465 1.00 75.42 C ATOM 1170 O SER A 71 -5.867 -0.669 0.338 1.00 73.03 O ATOM 1171 CB SER A 71 -3.186 -0.407 -1.140 1.00 24.31 C ATOM 1172 OG SER A 71 -1.896 0.149 -1.315 1.00 62.33 O ATOM 0 H SER A 71 -1.902 -2.065 0.131 1.00 13.43 H new ATOM 0 HA SER A 71 -3.451 0.227 0.901 1.00 55.21 H new ATOM 0 HB2 SER A 71 -3.270 -1.326 -1.720 1.00 24.31 H new ATOM 0 HB3 SER A 71 -3.937 0.283 -1.525 1.00 24.31 H new ATOM 0 HG SER A 71 -1.218 -0.542 -1.163 1.00 62.33 H new ATOM 1178 N ALA A 72 -4.926 -2.663 0.707 1.00 42.34 N ATOM 1179 CA ALA A 72 -6.136 -3.457 0.867 1.00 23.13 C ATOM 1180 C ALA A 72 -6.288 -3.930 2.311 1.00 10.44 C ATOM 1181 O ALA A 72 -6.998 -4.906 2.557 1.00 33.20 O ATOM 1182 CB ALA A 72 -6.133 -4.616 -0.128 1.00 70.10 C ATOM 0 H ALA A 72 -4.083 -3.230 0.802 1.00 42.34 H new ATOM 0 HA ALA A 72 -7.005 -2.837 0.649 1.00 23.13 H new ATOM 0 HB1 ALA A 72 -7.041 -5.206 -0.002 1.00 70.10 H new ATOM 0 HB2 ALA A 72 -6.093 -4.223 -1.144 1.00 70.10 H new ATOM 0 HB3 ALA A 72 -5.263 -5.247 0.051 1.00 70.10 H new ATOM 1188 N SER A 73 -5.523 -3.368 3.254 1.00 71.42 N ATOM 1189 CA SER A 73 -5.668 -3.775 4.637 1.00 41.35 C ATOM 1190 C SER A 73 -7.080 -3.344 5.056 1.00 73.31 C ATOM 1191 O SER A 73 -7.613 -2.360 4.521 1.00 15.31 O ATOM 1192 CB SER A 73 -4.551 -3.181 5.509 1.00 35.12 C ATOM 1193 OG SER A 73 -4.647 -1.778 5.672 1.00 32.31 O ATOM 0 H SER A 73 -4.819 -2.650 3.083 1.00 71.42 H new ATOM 0 HA SER A 73 -5.562 -4.852 4.766 1.00 41.35 H new ATOM 0 HB2 SER A 73 -4.576 -3.655 6.490 1.00 35.12 H new ATOM 0 HB3 SER A 73 -3.586 -3.422 5.063 1.00 35.12 H new ATOM 0 HG SER A 73 -4.164 -1.331 4.946 1.00 32.31 H new ATOM 1199 N PRO A 74 -7.704 -4.031 6.023 1.00 41.13 N ATOM 1200 CA PRO A 74 -9.040 -3.660 6.449 1.00 34.30 C ATOM 1201 C PRO A 74 -9.033 -2.233 6.979 1.00 74.23 C ATOM 1202 O PRO A 74 -9.961 -1.477 6.719 1.00 34.14 O ATOM 1203 CB PRO A 74 -9.436 -4.659 7.533 1.00 63.21 C ATOM 1204 CG PRO A 74 -8.119 -5.289 7.973 1.00 51.42 C ATOM 1205 CD PRO A 74 -7.216 -5.188 6.750 1.00 53.02 C ATOM 0 HA PRO A 74 -9.756 -3.689 5.627 1.00 34.30 H new ATOM 0 HB2 PRO A 74 -9.936 -4.164 8.365 1.00 63.21 H new ATOM 0 HB3 PRO A 74 -10.126 -5.410 7.148 1.00 63.21 H new ATOM 0 HG2 PRO A 74 -7.692 -4.760 8.825 1.00 51.42 H new ATOM 0 HG3 PRO A 74 -8.258 -6.326 8.278 1.00 51.42 H new ATOM 0 HD2 PRO A 74 -6.172 -5.063 7.038 1.00 53.02 H new ATOM 0 HD3 PRO A 74 -7.272 -6.090 6.141 1.00 53.02 H new ATOM 1213 N ALA A 75 -7.979 -1.856 7.703 1.00 32.32 N ATOM 1214 CA ALA A 75 -7.839 -0.541 8.279 1.00 52.42 C ATOM 1215 C ALA A 75 -7.761 0.548 7.203 1.00 73.10 C ATOM 1216 O ALA A 75 -8.427 1.569 7.371 1.00 11.20 O ATOM 1217 CB ALA A 75 -6.632 -0.558 9.206 1.00 74.01 C ATOM 0 H ALA A 75 -7.192 -2.474 7.902 1.00 32.32 H new ATOM 0 HA ALA A 75 -8.725 -0.289 8.863 1.00 52.42 H new ATOM 0 HB1 ALA A 75 -6.504 0.427 9.655 1.00 74.01 H new ATOM 0 HB2 ALA A 75 -6.787 -1.298 9.992 1.00 74.01 H new ATOM 0 HB3 ALA A 75 -5.739 -0.815 8.636 1.00 74.01 H new ATOM 1223 N TYR A 76 -7.000 0.351 6.116 1.00 4.02 N ATOM 1224 CA TYR A 76 -6.899 1.349 5.050 1.00 44.25 C ATOM 1225 C TYR A 76 -8.268 1.587 4.431 1.00 2.51 C ATOM 1226 O TYR A 76 -8.650 2.734 4.214 1.00 60.14 O ATOM 1227 CB TYR A 76 -5.908 0.904 3.951 1.00 74.14 C ATOM 1228 CG TYR A 76 -5.781 1.844 2.755 1.00 42.33 C ATOM 1229 CD1 TYR A 76 -4.678 2.719 2.644 1.00 63.12 C ATOM 1230 CD2 TYR A 76 -6.739 1.811 1.716 1.00 2.34 C ATOM 1231 CE1 TYR A 76 -4.507 3.518 1.505 1.00 52.42 C ATOM 1232 CE2 TYR A 76 -6.564 2.603 0.565 1.00 54.55 C ATOM 1233 CZ TYR A 76 -5.449 3.463 0.455 1.00 23.13 C ATOM 1234 OH TYR A 76 -5.216 4.190 -0.674 1.00 22.33 O ATOM 0 H TYR A 76 -6.447 -0.491 5.956 1.00 4.02 H new ATOM 0 HA TYR A 76 -6.527 2.273 5.493 1.00 44.25 H new ATOM 0 HB2 TYR A 76 -4.923 0.785 4.402 1.00 74.14 H new ATOM 0 HB3 TYR A 76 -6.213 -0.077 3.588 1.00 74.14 H new ATOM 0 HD1 TYR A 76 -3.957 2.773 3.447 1.00 63.12 H new ATOM 0 HD2 TYR A 76 -7.608 1.176 1.805 1.00 2.34 H new ATOM 0 HE1 TYR A 76 -3.654 4.176 1.431 1.00 52.42 H new ATOM 0 HE2 TYR A 76 -7.285 2.553 -0.237 1.00 54.55 H new ATOM 0 HH TYR A 76 -5.949 4.052 -1.309 1.00 22.33 H new ATOM 1244 N LEU A 77 -9.023 0.530 4.143 1.00 42.42 N ATOM 1245 CA LEU A 77 -10.330 0.711 3.526 1.00 4.14 C ATOM 1246 C LEU A 77 -11.320 1.315 4.514 1.00 54.21 C ATOM 1247 O LEU A 77 -12.040 2.251 4.179 1.00 64.43 O ATOM 1248 CB LEU A 77 -10.846 -0.606 2.965 1.00 61.12 C ATOM 1249 CG LEU A 77 -9.881 -1.297 1.990 1.00 55.44 C ATOM 1250 CD1 LEU A 77 -10.253 -2.773 1.923 1.00 22.13 C ATOM 1251 CD2 LEU A 77 -9.931 -0.609 0.623 1.00 23.20 C ATOM 0 H LEU A 77 -8.759 -0.439 4.322 1.00 42.42 H new ATOM 0 HA LEU A 77 -10.222 1.410 2.697 1.00 4.14 H new ATOM 0 HB2 LEU A 77 -11.055 -1.284 3.793 1.00 61.12 H new ATOM 0 HB3 LEU A 77 -11.792 -0.425 2.455 1.00 61.12 H new ATOM 0 HG LEU A 77 -8.850 -1.218 2.334 1.00 55.44 H new ATOM 0 HD11 LEU A 77 -9.581 -3.287 1.236 1.00 22.13 H new ATOM 0 HD12 LEU A 77 -10.165 -3.216 2.915 1.00 22.13 H new ATOM 0 HD13 LEU A 77 -11.279 -2.874 1.570 1.00 22.13 H new ATOM 0 HD21 LEU A 77 -9.243 -1.107 -0.060 1.00 23.20 H new ATOM 0 HD22 LEU A 77 -10.944 -0.666 0.224 1.00 23.20 H new ATOM 0 HD23 LEU A 77 -9.642 0.436 0.731 1.00 23.20 H new ATOM 1263 N SER A 78 -11.313 0.816 5.749 1.00 23.22 N ATOM 1264 CA SER A 78 -12.178 1.282 6.829 1.00 14.12 C ATOM 1265 C SER A 78 -11.958 2.786 7.073 1.00 73.00 C ATOM 1266 O SER A 78 -12.920 3.516 7.314 1.00 33.21 O ATOM 1267 CB SER A 78 -11.868 0.448 8.082 1.00 42.52 C ATOM 1268 OG SER A 78 -12.755 0.699 9.156 1.00 62.42 O ATOM 0 H SER A 78 -10.691 0.059 6.032 1.00 23.22 H new ATOM 0 HA SER A 78 -13.228 1.153 6.567 1.00 14.12 H new ATOM 0 HB2 SER A 78 -11.910 -0.610 7.825 1.00 42.52 H new ATOM 0 HB3 SER A 78 -10.848 0.657 8.406 1.00 42.52 H new ATOM 0 HG SER A 78 -12.508 0.139 9.922 1.00 62.42 H new ATOM 1274 N CYS A 79 -10.720 3.272 6.932 1.00 65.00 N ATOM 1275 CA CYS A 79 -10.351 4.669 7.138 1.00 22.01 C ATOM 1276 C CYS A 79 -10.783 5.610 6.009 1.00 14.03 C ATOM 1277 O CYS A 79 -10.384 6.764 6.053 1.00 52.32 O ATOM 1278 CB CYS A 79 -8.885 4.797 7.581 1.00 0.22 C ATOM 1279 SG CYS A 79 -7.677 4.820 6.229 1.00 5.45 S ATOM 0 H CYS A 79 -9.929 2.686 6.664 1.00 65.00 H new ATOM 0 HA CYS A 79 -10.945 5.037 7.974 1.00 22.01 H new ATOM 0 HB2 CYS A 79 -8.775 5.712 8.162 1.00 0.22 H new ATOM 0 HB3 CYS A 79 -8.648 3.967 8.246 1.00 0.22 H new ATOM 0 HG CYS A 79 -8.107 4.080 5.250 1.00 5.45 H new ATOM 1285 N GLN A 80 -11.549 5.151 5.010 1.00 70.44 N ATOM 1286 CA GLN A 80 -12.099 5.915 3.879 1.00 75.11 C ATOM 1287 C GLN A 80 -12.455 7.388 4.199 1.00 5.44 C ATOM 1288 O GLN A 80 -13.597 7.718 4.561 1.00 5.54 O ATOM 1289 CB GLN A 80 -13.352 5.184 3.351 1.00 41.33 C ATOM 1290 CG GLN A 80 -14.382 4.749 4.422 1.00 4.04 C ATOM 1291 CD GLN A 80 -15.817 5.128 4.068 1.00 54.05 C ATOM 1292 OE1 GLN A 80 -16.707 4.294 3.932 1.00 52.12 O ATOM 1293 NE2 GLN A 80 -16.093 6.414 3.945 1.00 12.24 N ATOM 0 H GLN A 80 -11.820 4.169 4.967 1.00 70.44 H new ATOM 0 HA GLN A 80 -11.309 5.964 3.130 1.00 75.11 H new ATOM 0 HB2 GLN A 80 -13.854 5.835 2.635 1.00 41.33 H new ATOM 0 HB3 GLN A 80 -13.029 4.298 2.804 1.00 41.33 H new ATOM 0 HG2 GLN A 80 -14.321 3.669 4.557 1.00 4.04 H new ATOM 0 HG3 GLN A 80 -14.118 5.205 5.376 1.00 4.04 H new ATOM 0 HE21 GLN A 80 -15.354 7.107 4.058 1.00 12.24 H new ATOM 0 HE22 GLN A 80 -17.046 6.714 3.737 1.00 12.24 H new ATOM 1302 N LYS A 81 -11.530 8.321 3.972 1.00 4.02 N ATOM 1303 CA LYS A 81 -11.699 9.746 4.232 1.00 54.10 C ATOM 1304 C LYS A 81 -11.323 10.552 2.987 1.00 31.12 C ATOM 1305 O LYS A 81 -10.143 10.603 2.630 1.00 3.45 O ATOM 1306 CB LYS A 81 -10.851 10.166 5.445 1.00 62.30 C ATOM 1307 CG LYS A 81 -11.354 9.552 6.765 1.00 43.31 C ATOM 1308 CD LYS A 81 -12.447 10.302 7.517 1.00 41.33 C ATOM 1309 CE LYS A 81 -13.746 9.485 7.555 1.00 23.34 C ATOM 1310 NZ LYS A 81 -14.847 10.209 8.220 1.00 51.14 N ATOM 0 H LYS A 81 -10.612 8.095 3.589 1.00 4.02 H new ATOM 0 HA LYS A 81 -12.744 9.949 4.465 1.00 54.10 H new ATOM 0 HB2 LYS A 81 -9.816 9.866 5.281 1.00 62.30 H new ATOM 0 HB3 LYS A 81 -10.858 11.253 5.529 1.00 62.30 H new ATOM 0 HG2 LYS A 81 -11.721 8.548 6.551 1.00 43.31 H new ATOM 0 HG3 LYS A 81 -10.499 9.444 7.433 1.00 43.31 H new ATOM 0 HD2 LYS A 81 -12.115 10.513 8.534 1.00 41.33 H new ATOM 0 HD3 LYS A 81 -12.631 11.263 7.036 1.00 41.33 H new ATOM 0 HE2 LYS A 81 -14.043 9.233 6.537 1.00 23.34 H new ATOM 0 HE3 LYS A 81 -13.566 8.545 8.077 1.00 23.34 H new ATOM 0 HZ1 LYS A 81 -15.702 9.617 8.220 1.00 51.14 H new ATOM 0 HZ2 LYS A 81 -14.577 10.428 9.200 1.00 51.14 H new ATOM 0 HZ3 LYS A 81 -15.039 11.094 7.709 1.00 51.14 H new ATOM 1324 N PRO A 82 -12.308 11.097 2.256 1.00 3.23 N ATOM 1325 CA PRO A 82 -12.044 11.923 1.091 1.00 22.14 C ATOM 1326 C PRO A 82 -11.494 13.270 1.580 1.00 65.43 C ATOM 1327 O PRO A 82 -11.446 13.522 2.785 1.00 40.11 O ATOM 1328 CB PRO A 82 -13.398 12.095 0.404 1.00 2.50 C ATOM 1329 CG PRO A 82 -14.404 12.004 1.550 1.00 54.32 C ATOM 1330 CD PRO A 82 -13.726 11.081 2.559 1.00 14.34 C ATOM 0 HA PRO A 82 -11.317 11.491 0.403 1.00 22.14 H new ATOM 0 HB2 PRO A 82 -13.466 13.053 -0.112 1.00 2.50 H new ATOM 0 HB3 PRO A 82 -13.570 11.318 -0.341 1.00 2.50 H new ATOM 0 HG2 PRO A 82 -14.610 12.984 1.980 1.00 54.32 H new ATOM 0 HG3 PRO A 82 -15.358 11.597 1.214 1.00 54.32 H new ATOM 0 HD2 PRO A 82 -13.907 11.423 3.578 1.00 14.34 H new ATOM 0 HD3 PRO A 82 -14.125 10.069 2.486 1.00 14.34 H new ATOM 1338 N ASP A 83 -11.083 14.130 0.644 1.00 23.42 N ATOM 1339 CA ASP A 83 -10.542 15.467 0.911 1.00 53.21 C ATOM 1340 C ASP A 83 -9.576 15.484 2.104 1.00 71.24 C ATOM 1341 O ASP A 83 -9.804 16.134 3.121 1.00 20.22 O ATOM 1342 CB ASP A 83 -11.677 16.493 0.981 1.00 24.02 C ATOM 1343 CG ASP A 83 -11.155 17.906 1.247 1.00 54.25 C ATOM 1344 OD1 ASP A 83 -11.788 18.614 2.068 1.00 10.02 O ATOM 1345 OD2 ASP A 83 -10.116 18.294 0.664 1.00 5.11 O ATOM 0 H ASP A 83 -11.118 13.909 -0.351 1.00 23.42 H new ATOM 0 HA ASP A 83 -9.913 15.768 0.073 1.00 53.21 H new ATOM 0 HB2 ASP A 83 -12.234 16.482 0.044 1.00 24.02 H new ATOM 0 HB3 ASP A 83 -12.374 16.209 1.769 1.00 24.02 H new ATOM 1350 N THR A 84 -8.465 14.757 1.957 1.00 62.14 N ATOM 1351 CA THR A 84 -7.431 14.631 2.984 1.00 0.05 C ATOM 1352 C THR A 84 -6.030 15.044 2.494 1.00 50.31 C ATOM 1353 O THR A 84 -5.152 15.256 3.330 1.00 43.55 O ATOM 1354 CB THR A 84 -7.520 13.209 3.589 1.00 70.13 C ATOM 1355 OG1 THR A 84 -6.650 13.019 4.686 1.00 20.50 O ATOM 1356 CG2 THR A 84 -7.213 12.104 2.568 1.00 33.14 C ATOM 0 H THR A 84 -8.257 14.232 1.108 1.00 62.14 H new ATOM 0 HA THR A 84 -7.615 15.348 3.784 1.00 0.05 H new ATOM 0 HB THR A 84 -8.556 13.132 3.920 1.00 70.13 H new ATOM 0 HG1 THR A 84 -5.893 13.638 4.615 1.00 20.50 H new ATOM 0 HG21 THR A 84 -7.291 11.130 3.051 1.00 33.14 H new ATOM 0 HG22 THR A 84 -7.927 12.160 1.746 1.00 33.14 H new ATOM 0 HG23 THR A 84 -6.203 12.237 2.181 1.00 33.14 H new ATOM 1364 N ALA A 85 -5.835 15.212 1.176 1.00 73.53 N ATOM 1365 CA ALA A 85 -4.583 15.601 0.520 1.00 52.22 C ATOM 1366 C ALA A 85 -3.460 14.597 0.722 1.00 75.02 C ATOM 1367 O ALA A 85 -2.883 14.503 1.802 1.00 2.43 O ATOM 1368 CB ALA A 85 -4.170 17.017 0.918 1.00 61.13 C ATOM 0 H ALA A 85 -6.591 15.071 0.505 1.00 73.53 H new ATOM 0 HA ALA A 85 -4.781 15.600 -0.552 1.00 52.22 H new ATOM 0 HB1 ALA A 85 -3.238 17.279 0.417 1.00 61.13 H new ATOM 0 HB2 ALA A 85 -4.950 17.720 0.624 1.00 61.13 H new ATOM 0 HB3 ALA A 85 -4.027 17.064 1.998 1.00 61.13 H new ATOM 1374 N ARG A 86 -3.225 13.762 -0.294 1.00 51.54 N ATOM 1375 CA ARG A 86 -2.145 12.772 -0.229 1.00 60.32 C ATOM 1376 C ARG A 86 -0.818 13.482 -0.515 1.00 2.34 C ATOM 1377 O ARG A 86 -0.794 14.681 -0.796 1.00 21.03 O ATOM 1378 CB ARG A 86 -2.358 11.578 -1.176 1.00 73.12 C ATOM 1379 CG ARG A 86 -3.714 10.889 -1.004 1.00 54.31 C ATOM 1380 CD ARG A 86 -4.712 11.397 -2.044 1.00 23.32 C ATOM 1381 NE ARG A 86 -4.651 10.626 -3.296 1.00 22.01 N ATOM 1382 CZ ARG A 86 -5.063 11.034 -4.500 1.00 44.13 C ATOM 1383 NH1 ARG A 86 -5.336 12.311 -4.727 1.00 41.01 N ATOM 1384 NH2 ARG A 86 -5.201 10.132 -5.457 1.00 53.24 N ATOM 0 H ARG A 86 -3.761 13.750 -1.162 1.00 51.54 H new ATOM 0 HA ARG A 86 -2.135 12.343 0.773 1.00 60.32 H new ATOM 0 HB2 ARG A 86 -2.263 11.922 -2.206 1.00 73.12 H new ATOM 0 HB3 ARG A 86 -1.566 10.848 -1.009 1.00 73.12 H new ATOM 0 HG2 ARG A 86 -3.595 9.810 -1.103 1.00 54.31 H new ATOM 0 HG3 ARG A 86 -4.098 11.076 -0.001 1.00 54.31 H new ATOM 0 HD2 ARG A 86 -5.721 11.342 -1.634 1.00 23.32 H new ATOM 0 HD3 ARG A 86 -4.511 12.447 -2.256 1.00 23.32 H new ATOM 0 HE ARG A 86 -4.255 9.688 -3.239 1.00 22.01 H new ATOM 0 HH11 ARG A 86 -5.232 12.996 -3.978 1.00 41.01 H new ATOM 0 HH12 ARG A 86 -5.650 12.609 -5.651 1.00 41.01 H new ATOM 0 HH21 ARG A 86 -4.994 9.151 -5.267 1.00 53.24 H new ATOM 0 HH22 ARG A 86 -5.514 10.417 -6.385 1.00 53.24 H new ATOM 1398 N VAL A 87 0.279 12.734 -0.465 1.00 24.53 N ATOM 1399 CA VAL A 87 1.630 13.213 -0.709 1.00 22.12 C ATOM 1400 C VAL A 87 2.415 12.196 -1.540 1.00 14.41 C ATOM 1401 O VAL A 87 2.049 11.014 -1.580 1.00 34.22 O ATOM 1402 CB VAL A 87 2.343 13.464 0.639 1.00 22.25 C ATOM 1403 CG1 VAL A 87 1.879 14.770 1.280 1.00 32.23 C ATOM 1404 CG2 VAL A 87 2.150 12.320 1.656 1.00 50.44 C ATOM 0 H VAL A 87 0.247 11.739 -0.245 1.00 24.53 H new ATOM 0 HA VAL A 87 1.579 14.148 -1.267 1.00 22.12 H new ATOM 0 HB VAL A 87 3.403 13.522 0.393 1.00 22.25 H new ATOM 0 HG11 VAL A 87 2.400 14.916 2.226 1.00 32.23 H new ATOM 0 HG12 VAL A 87 2.100 15.602 0.612 1.00 32.23 H new ATOM 0 HG13 VAL A 87 0.805 14.725 1.460 1.00 32.23 H new ATOM 0 HG21 VAL A 87 2.677 12.561 2.579 1.00 50.44 H new ATOM 0 HG22 VAL A 87 1.088 12.195 1.866 1.00 50.44 H new ATOM 0 HG23 VAL A 87 2.549 11.394 1.242 1.00 50.44 H new ATOM 1414 N ASP A 88 3.473 12.666 -2.207 1.00 44.02 N ATOM 1415 CA ASP A 88 4.373 11.841 -3.019 1.00 3.24 C ATOM 1416 C ASP A 88 5.458 11.285 -2.071 1.00 61.45 C ATOM 1417 O ASP A 88 5.500 11.607 -0.876 1.00 61.41 O ATOM 1418 CB ASP A 88 5.127 12.638 -4.110 1.00 13.13 C ATOM 1419 CG ASP A 88 4.336 13.572 -5.028 1.00 11.01 C ATOM 1420 OD1 ASP A 88 4.495 14.803 -4.871 1.00 13.00 O ATOM 1421 OD2 ASP A 88 3.707 13.091 -5.998 1.00 54.45 O ATOM 0 H ASP A 88 3.734 13.652 -2.197 1.00 44.02 H new ATOM 0 HA ASP A 88 3.763 11.081 -3.508 1.00 3.24 H new ATOM 0 HB2 ASP A 88 5.891 13.236 -3.612 1.00 13.13 H new ATOM 0 HB3 ASP A 88 5.647 11.919 -4.742 1.00 13.13 H new ATOM 1426 N ILE A 89 6.401 10.499 -2.599 1.00 40.21 N ATOM 1427 CA ILE A 89 7.528 9.908 -1.867 1.00 65.04 C ATOM 1428 C ILE A 89 8.462 10.971 -1.272 1.00 15.01 C ATOM 1429 O ILE A 89 9.193 10.673 -0.331 1.00 1.02 O ATOM 1430 CB ILE A 89 8.351 8.972 -2.784 1.00 35.34 C ATOM 1431 CG1 ILE A 89 8.736 9.625 -4.131 1.00 62.30 C ATOM 1432 CG2 ILE A 89 7.569 7.682 -3.039 1.00 71.25 C ATOM 1433 CD1 ILE A 89 9.866 8.876 -4.841 1.00 72.20 C ATOM 0 H ILE A 89 6.401 10.246 -3.587 1.00 40.21 H new ATOM 0 HA ILE A 89 7.094 9.337 -1.047 1.00 65.04 H new ATOM 0 HB ILE A 89 9.283 8.756 -2.261 1.00 35.34 H new ATOM 0 HG12 ILE A 89 7.861 9.656 -4.780 1.00 62.30 H new ATOM 0 HG13 ILE A 89 9.041 10.657 -3.957 1.00 62.30 H new ATOM 0 HG21 ILE A 89 8.151 7.025 -3.685 1.00 71.25 H new ATOM 0 HG22 ILE A 89 7.376 7.180 -2.091 1.00 71.25 H new ATOM 0 HG23 ILE A 89 6.622 7.920 -3.523 1.00 71.25 H new ATOM 0 HD11 ILE A 89 10.098 9.375 -5.782 1.00 72.20 H new ATOM 0 HD12 ILE A 89 10.752 8.868 -4.206 1.00 72.20 H new ATOM 0 HD13 ILE A 89 9.554 7.851 -5.041 1.00 72.20 H new ATOM 1445 N TYR A 90 8.444 12.203 -1.792 1.00 22.30 N ATOM 1446 CA TYR A 90 9.265 13.307 -1.301 1.00 61.52 C ATOM 1447 C TYR A 90 8.513 14.105 -0.222 1.00 2.24 C ATOM 1448 O TYR A 90 9.079 15.044 0.343 1.00 34.41 O ATOM 1449 CB TYR A 90 9.657 14.219 -2.472 1.00 4.52 C ATOM 1450 CG TYR A 90 10.614 13.679 -3.526 1.00 30.41 C ATOM 1451 CD1 TYR A 90 11.164 12.377 -3.474 1.00 54.41 C ATOM 1452 CD2 TYR A 90 10.963 14.529 -4.592 1.00 52.52 C ATOM 1453 CE1 TYR A 90 11.989 11.912 -4.514 1.00 2.42 C ATOM 1454 CE2 TYR A 90 11.814 14.083 -5.616 1.00 22.45 C ATOM 1455 CZ TYR A 90 12.305 12.760 -5.598 1.00 62.02 C ATOM 1456 OH TYR A 90 13.057 12.306 -6.639 1.00 21.02 O ATOM 0 H TYR A 90 7.848 12.462 -2.578 1.00 22.30 H new ATOM 0 HA TYR A 90 10.170 12.901 -0.849 1.00 61.52 H new ATOM 0 HB2 TYR A 90 8.740 14.519 -2.980 1.00 4.52 H new ATOM 0 HB3 TYR A 90 10.100 15.123 -2.054 1.00 4.52 H new ATOM 0 HD1 TYR A 90 10.949 11.736 -2.631 1.00 54.41 H new ATOM 0 HD2 TYR A 90 10.572 15.535 -4.623 1.00 52.52 H new ATOM 0 HE1 TYR A 90 12.381 10.906 -4.483 1.00 2.42 H new ATOM 0 HE2 TYR A 90 12.093 14.752 -6.417 1.00 22.45 H new ATOM 0 HH TYR A 90 13.175 13.024 -7.295 1.00 21.02 H new ATOM 1466 N GLY A 91 7.254 13.752 0.076 1.00 72.44 N ATOM 1467 CA GLY A 91 6.403 14.401 1.073 1.00 22.25 C ATOM 1468 C GLY A 91 5.642 15.619 0.547 1.00 53.22 C ATOM 1469 O GLY A 91 4.874 16.219 1.301 1.00 4.42 O ATOM 0 H GLY A 91 6.786 12.976 -0.392 1.00 72.44 H new ATOM 0 HA2 GLY A 91 5.685 13.673 1.451 1.00 22.25 H new ATOM 0 HA3 GLY A 91 7.020 14.708 1.917 1.00 22.25 H new ATOM 1473 N ASN A 92 5.858 15.998 -0.719 1.00 43.30 N ATOM 1474 CA ASN A 92 5.174 17.131 -1.338 1.00 4.51 C ATOM 1475 C ASN A 92 3.704 16.792 -1.453 1.00 4.51 C ATOM 1476 O ASN A 92 3.358 15.630 -1.680 1.00 50.12 O ATOM 1477 CB ASN A 92 5.706 17.428 -2.744 1.00 63.44 C ATOM 1478 CG ASN A 92 7.135 17.922 -2.713 1.00 64.42 C ATOM 1479 OD1 ASN A 92 7.412 18.982 -2.160 1.00 31.14 O ATOM 1480 ND2 ASN A 92 8.063 17.192 -3.302 1.00 25.54 N ATOM 0 H ASN A 92 6.514 15.524 -1.340 1.00 43.30 H new ATOM 0 HA ASN A 92 5.344 18.010 -0.716 1.00 4.51 H new ATOM 0 HB2 ASN A 92 5.647 16.526 -3.353 1.00 63.44 H new ATOM 0 HB3 ASN A 92 5.073 18.176 -3.221 1.00 63.44 H new ATOM 0 HD21 ASN A 92 9.034 17.506 -3.304 1.00 25.54 H new ATOM 0 HD22 ASN A 92 7.810 16.314 -3.756 1.00 25.54 H new ATOM 1487 N GLU A 93 2.858 17.803 -1.290 1.00 14.12 N ATOM 1488 CA GLU A 93 1.425 17.645 -1.364 1.00 62.14 C ATOM 1489 C GLU A 93 0.975 17.362 -2.792 1.00 62.43 C ATOM 1490 O GLU A 93 1.549 17.846 -3.769 1.00 61.22 O ATOM 1491 CB GLU A 93 0.742 18.905 -0.815 1.00 1.30 C ATOM 1492 CG GLU A 93 0.298 18.685 0.635 1.00 35.30 C ATOM 1493 CD GLU A 93 -0.728 19.711 1.113 1.00 3.12 C ATOM 1494 OE1 GLU A 93 -1.700 19.305 1.788 1.00 35.22 O ATOM 1495 OE2 GLU A 93 -0.590 20.921 0.823 1.00 64.11 O ATOM 0 H GLU A 93 3.158 18.760 -1.102 1.00 14.12 H new ATOM 0 HA GLU A 93 1.135 16.788 -0.756 1.00 62.14 H new ATOM 0 HB2 GLU A 93 1.428 19.750 -0.867 1.00 1.30 H new ATOM 0 HB3 GLU A 93 -0.121 19.156 -1.432 1.00 1.30 H new ATOM 0 HG2 GLU A 93 -0.126 17.685 0.731 1.00 35.30 H new ATOM 0 HG3 GLU A 93 1.172 18.724 1.286 1.00 35.30 H new ATOM 1502 N VAL A 94 -0.102 16.593 -2.879 1.00 30.04 N ATOM 1503 CA VAL A 94 -0.808 16.132 -4.062 1.00 43.32 C ATOM 1504 C VAL A 94 -2.299 16.436 -3.880 1.00 1.13 C ATOM 1505 O VAL A 94 -2.685 17.064 -2.886 1.00 54.23 O ATOM 1506 CB VAL A 94 -0.387 14.738 -4.568 1.00 41.35 C ATOM 1507 CG1 VAL A 94 1.138 14.572 -4.546 1.00 74.22 C ATOM 1508 CG2 VAL A 94 -1.025 13.526 -3.896 1.00 73.12 C ATOM 0 H VAL A 94 -0.548 16.241 -2.032 1.00 30.04 H new ATOM 0 HA VAL A 94 -0.497 16.697 -4.941 1.00 43.32 H new ATOM 0 HB VAL A 94 -0.780 14.736 -5.585 1.00 41.35 H new ATOM 0 HG11 VAL A 94 1.401 13.578 -4.909 1.00 74.22 H new ATOM 0 HG12 VAL A 94 1.595 15.325 -5.187 1.00 74.22 H new ATOM 0 HG13 VAL A 94 1.503 14.694 -3.526 1.00 74.22 H new ATOM 0 HG21 VAL A 94 -0.639 12.613 -4.350 1.00 73.12 H new ATOM 0 HG22 VAL A 94 -0.786 13.532 -2.833 1.00 73.12 H new ATOM 0 HG23 VAL A 94 -2.107 13.566 -4.025 1.00 73.12 H new ATOM 1518 N ASP A 95 -3.144 16.072 -4.841 1.00 31.25 N ATOM 1519 CA ASP A 95 -4.577 16.361 -4.794 1.00 22.12 C ATOM 1520 C ASP A 95 -5.268 15.376 -3.837 1.00 41.12 C ATOM 1521 O ASP A 95 -4.607 14.561 -3.178 1.00 2.41 O ATOM 1522 CB ASP A 95 -5.144 16.221 -6.219 1.00 53.12 C ATOM 1523 CG ASP A 95 -5.053 14.791 -6.757 1.00 4.23 C ATOM 1524 OD1 ASP A 95 -3.955 14.385 -7.203 1.00 21.23 O ATOM 1525 OD2 ASP A 95 -6.051 14.040 -6.743 1.00 72.21 O ATOM 0 H ASP A 95 -2.854 15.566 -5.678 1.00 31.25 H new ATOM 0 HA ASP A 95 -4.754 17.373 -4.429 1.00 22.12 H new ATOM 0 HB2 ASP A 95 -6.186 16.540 -6.223 1.00 53.12 H new ATOM 0 HB3 ASP A 95 -4.603 16.891 -6.888 1.00 53.12 H new ATOM 1530 N VAL A 96 -6.596 15.417 -3.718 1.00 60.03 N ATOM 1531 CA VAL A 96 -7.329 14.582 -2.767 1.00 53.33 C ATOM 1532 C VAL A 96 -8.230 13.513 -3.374 1.00 62.21 C ATOM 1533 O VAL A 96 -8.607 13.584 -4.543 1.00 5.34 O ATOM 1534 CB VAL A 96 -8.182 15.513 -1.870 1.00 4.22 C ATOM 1535 CG1 VAL A 96 -7.459 16.777 -1.384 1.00 61.33 C ATOM 1536 CG2 VAL A 96 -9.474 16.017 -2.531 1.00 34.24 C ATOM 0 H VAL A 96 -7.192 16.028 -4.277 1.00 60.03 H new ATOM 0 HA VAL A 96 -6.573 14.026 -2.213 1.00 53.33 H new ATOM 0 HB VAL A 96 -8.400 14.849 -1.034 1.00 4.22 H new ATOM 0 HG11 VAL A 96 -8.134 17.366 -0.764 1.00 61.33 H new ATOM 0 HG12 VAL A 96 -6.584 16.494 -0.800 1.00 61.33 H new ATOM 0 HG13 VAL A 96 -7.145 17.370 -2.243 1.00 61.33 H new ATOM 0 HG21 VAL A 96 -10.011 16.662 -1.835 1.00 34.24 H new ATOM 0 HG22 VAL A 96 -9.227 16.580 -3.431 1.00 34.24 H new ATOM 0 HG23 VAL A 96 -10.102 15.167 -2.797 1.00 34.24 H new ATOM 1546 N VAL A 97 -8.561 12.515 -2.551 1.00 63.45 N ATOM 1547 CA VAL A 97 -9.455 11.440 -2.953 1.00 25.10 C ATOM 1548 C VAL A 97 -10.854 12.053 -2.907 1.00 15.13 C ATOM 1549 O VAL A 97 -11.214 12.670 -1.900 1.00 3.20 O ATOM 1550 CB VAL A 97 -9.385 10.228 -2.000 1.00 73.34 C ATOM 1551 CG1 VAL A 97 -10.118 9.031 -2.622 1.00 33.13 C ATOM 1552 CG2 VAL A 97 -7.945 9.833 -1.656 1.00 22.20 C ATOM 0 H VAL A 97 -8.216 12.434 -1.594 1.00 63.45 H new ATOM 0 HA VAL A 97 -9.182 11.062 -3.938 1.00 25.10 H new ATOM 0 HB VAL A 97 -9.871 10.522 -1.070 1.00 73.34 H new ATOM 0 HG11 VAL A 97 -10.065 8.179 -1.944 1.00 33.13 H new ATOM 0 HG12 VAL A 97 -11.162 9.293 -2.794 1.00 33.13 H new ATOM 0 HG13 VAL A 97 -9.649 8.770 -3.570 1.00 33.13 H new ATOM 0 HG21 VAL A 97 -7.954 8.976 -0.983 1.00 22.20 H new ATOM 0 HG22 VAL A 97 -7.411 9.572 -2.570 1.00 22.20 H new ATOM 0 HG23 VAL A 97 -7.444 10.670 -1.170 1.00 22.20 H new ATOM 1562 N THR A 98 -11.614 11.919 -3.984 1.00 73.52 N ATOM 1563 CA THR A 98 -12.972 12.427 -4.092 1.00 0.14 C ATOM 1564 C THR A 98 -13.906 11.614 -3.178 1.00 14.42 C ATOM 1565 O THR A 98 -13.578 10.479 -2.809 1.00 12.14 O ATOM 1566 CB THR A 98 -13.383 12.348 -5.572 1.00 4.14 C ATOM 1567 OG1 THR A 98 -12.872 11.159 -6.158 1.00 30.13 O ATOM 1568 CG2 THR A 98 -12.825 13.549 -6.340 1.00 1.12 C ATOM 0 H THR A 98 -11.295 11.442 -4.827 1.00 73.52 H new ATOM 0 HA THR A 98 -13.039 13.464 -3.764 1.00 0.14 H new ATOM 0 HB THR A 98 -14.472 12.349 -5.625 1.00 4.14 H new ATOM 0 HG1 THR A 98 -13.140 11.117 -7.100 1.00 30.13 H new ATOM 0 HG21 THR A 98 -13.123 13.482 -7.386 1.00 1.12 H new ATOM 0 HG22 THR A 98 -13.217 14.470 -5.910 1.00 1.12 H new ATOM 0 HG23 THR A 98 -11.737 13.551 -6.272 1.00 1.12 H new ATOM 1576 N PRO A 99 -15.104 12.127 -2.841 1.00 10.34 N ATOM 1577 CA PRO A 99 -16.039 11.433 -1.965 1.00 75.40 C ATOM 1578 C PRO A 99 -16.454 10.059 -2.481 1.00 15.41 C ATOM 1579 O PRO A 99 -16.474 9.113 -1.694 1.00 11.25 O ATOM 1580 CB PRO A 99 -17.224 12.383 -1.763 1.00 60.14 C ATOM 1581 CG PRO A 99 -17.139 13.331 -2.956 1.00 41.11 C ATOM 1582 CD PRO A 99 -15.636 13.435 -3.198 1.00 63.21 C ATOM 0 HA PRO A 99 -15.563 11.202 -1.012 1.00 75.40 H new ATOM 0 HB2 PRO A 99 -18.171 11.843 -1.748 1.00 60.14 H new ATOM 0 HB3 PRO A 99 -17.148 12.921 -0.818 1.00 60.14 H new ATOM 0 HG2 PRO A 99 -17.662 12.934 -3.826 1.00 41.11 H new ATOM 0 HG3 PRO A 99 -17.581 14.302 -2.733 1.00 41.11 H new ATOM 0 HD2 PRO A 99 -15.420 13.678 -4.238 1.00 63.21 H new ATOM 0 HD3 PRO A 99 -15.192 14.221 -2.588 1.00 63.21 H new ATOM 1590 N GLU A 100 -16.764 9.924 -3.774 1.00 63.51 N ATOM 1591 CA GLU A 100 -17.186 8.641 -4.322 1.00 70.21 C ATOM 1592 C GLU A 100 -16.035 7.642 -4.341 1.00 12.10 C ATOM 1593 O GLU A 100 -16.228 6.479 -3.988 1.00 12.12 O ATOM 1594 CB GLU A 100 -17.824 8.797 -5.707 1.00 3.41 C ATOM 1595 CG GLU A 100 -19.202 9.459 -5.578 1.00 62.31 C ATOM 1596 CD GLU A 100 -20.009 9.344 -6.870 1.00 52.23 C ATOM 1597 OE1 GLU A 100 -19.709 10.099 -7.822 1.00 61.24 O ATOM 1598 OE2 GLU A 100 -20.978 8.542 -6.887 1.00 61.05 O ATOM 0 H GLU A 100 -16.730 10.684 -4.453 1.00 63.51 H new ATOM 0 HA GLU A 100 -17.955 8.241 -3.661 1.00 70.21 H new ATOM 0 HB2 GLU A 100 -17.180 9.400 -6.347 1.00 3.41 H new ATOM 0 HB3 GLU A 100 -17.923 7.821 -6.183 1.00 3.41 H new ATOM 0 HG2 GLU A 100 -19.754 8.993 -4.762 1.00 62.31 H new ATOM 0 HG3 GLU A 100 -19.077 10.511 -5.319 1.00 62.31 H new ATOM 1605 N GLN A 101 -14.828 8.073 -4.710 1.00 51.31 N ATOM 1606 CA GLN A 101 -13.709 7.149 -4.748 1.00 64.42 C ATOM 1607 C GLN A 101 -13.256 6.741 -3.347 1.00 3.25 C ATOM 1608 O GLN A 101 -12.791 5.608 -3.182 1.00 51.32 O ATOM 1609 CB GLN A 101 -12.555 7.714 -5.570 1.00 4.55 C ATOM 1610 CG GLN A 101 -12.941 7.792 -7.055 1.00 22.00 C ATOM 1611 CD GLN A 101 -11.756 8.051 -7.981 1.00 21.45 C ATOM 1612 OE1 GLN A 101 -10.589 7.939 -7.608 1.00 50.34 O ATOM 1613 NE2 GLN A 101 -12.033 8.366 -9.232 1.00 12.31 N ATOM 0 H GLN A 101 -14.609 9.032 -4.979 1.00 51.31 H new ATOM 0 HA GLN A 101 -14.055 6.242 -5.244 1.00 64.42 H new ATOM 0 HB2 GLN A 101 -12.291 8.706 -5.204 1.00 4.55 H new ATOM 0 HB3 GLN A 101 -11.673 7.085 -5.450 1.00 4.55 H new ATOM 0 HG2 GLN A 101 -13.422 6.858 -7.346 1.00 22.00 H new ATOM 0 HG3 GLN A 101 -13.677 8.585 -7.189 1.00 22.00 H new ATOM 0 HE21 GLN A 101 -13.004 8.457 -9.532 1.00 12.31 H new ATOM 0 HE22 GLN A 101 -11.277 8.519 -9.899 1.00 12.31 H new ATOM 1622 N ALA A 102 -13.395 7.614 -2.342 1.00 12.02 N ATOM 1623 CA ALA A 102 -13.005 7.283 -0.981 1.00 14.33 C ATOM 1624 C ALA A 102 -14.039 6.333 -0.381 1.00 42.43 C ATOM 1625 O ALA A 102 -13.671 5.267 0.110 1.00 71.30 O ATOM 1626 CB ALA A 102 -12.908 8.552 -0.124 1.00 75.45 C ATOM 0 H ALA A 102 -13.776 8.554 -2.454 1.00 12.02 H new ATOM 0 HA ALA A 102 -12.026 6.803 -0.998 1.00 14.33 H new ATOM 0 HB1 ALA A 102 -12.615 8.284 0.891 1.00 75.45 H new ATOM 0 HB2 ALA A 102 -12.163 9.224 -0.551 1.00 75.45 H new ATOM 0 HB3 ALA A 102 -13.877 9.051 -0.102 1.00 75.45 H new ATOM 1632 N LYS A 103 -15.333 6.669 -0.477 1.00 11.23 N ATOM 1633 CA LYS A 103 -16.399 5.836 0.079 1.00 63.35 C ATOM 1634 C LYS A 103 -16.422 4.454 -0.567 1.00 62.42 C ATOM 1635 O LYS A 103 -16.732 3.496 0.129 1.00 63.40 O ATOM 1636 CB LYS A 103 -17.764 6.555 0.022 1.00 22.15 C ATOM 1637 CG LYS A 103 -18.385 6.525 -1.378 1.00 71.42 C ATOM 1638 CD LYS A 103 -19.633 7.383 -1.600 1.00 40.44 C ATOM 1639 CE LYS A 103 -20.835 6.948 -0.754 1.00 64.03 C ATOM 1640 NZ LYS A 103 -22.049 7.723 -1.075 1.00 55.40 N ATOM 0 H LYS A 103 -15.664 7.517 -0.938 1.00 11.23 H new ATOM 0 HA LYS A 103 -16.185 5.673 1.135 1.00 63.35 H new ATOM 0 HB2 LYS A 103 -18.448 6.086 0.729 1.00 22.15 H new ATOM 0 HB3 LYS A 103 -17.639 7.591 0.338 1.00 22.15 H new ATOM 0 HG2 LYS A 103 -17.625 6.840 -2.093 1.00 71.42 H new ATOM 0 HG3 LYS A 103 -18.637 5.491 -1.615 1.00 71.42 H new ATOM 0 HD2 LYS A 103 -19.395 8.422 -1.371 1.00 40.44 H new ATOM 0 HD3 LYS A 103 -19.908 7.344 -2.654 1.00 40.44 H new ATOM 0 HE2 LYS A 103 -21.028 5.888 -0.918 1.00 64.03 H new ATOM 0 HE3 LYS A 103 -20.597 7.069 0.303 1.00 64.03 H new ATOM 0 HZ1 LYS A 103 -22.837 7.396 -0.480 1.00 55.40 H new ATOM 0 HZ2 LYS A 103 -21.874 8.732 -0.895 1.00 55.40 H new ATOM 0 HZ3 LYS A 103 -22.292 7.588 -2.077 1.00 55.40 H new ATOM 1654 N TYR A 104 -16.018 4.319 -1.839 1.00 72.52 N ATOM 1655 CA TYR A 104 -15.964 3.066 -2.599 1.00 4.13 C ATOM 1656 C TYR A 104 -15.142 2.033 -1.838 1.00 73.35 C ATOM 1657 O TYR A 104 -15.414 0.840 -1.963 1.00 2.30 O ATOM 1658 CB TYR A 104 -15.310 3.317 -3.978 1.00 52.51 C ATOM 1659 CG TYR A 104 -16.207 3.144 -5.190 1.00 62.43 C ATOM 1660 CD1 TYR A 104 -17.477 3.746 -5.237 1.00 3.11 C ATOM 1661 CD2 TYR A 104 -15.756 2.392 -6.293 1.00 4.21 C ATOM 1662 CE1 TYR A 104 -18.318 3.547 -6.345 1.00 71.33 C ATOM 1663 CE2 TYR A 104 -16.592 2.192 -7.406 1.00 74.01 C ATOM 1664 CZ TYR A 104 -17.891 2.748 -7.429 1.00 34.10 C ATOM 1665 OH TYR A 104 -18.720 2.502 -8.482 1.00 1.22 O ATOM 0 H TYR A 104 -15.706 5.119 -2.389 1.00 72.52 H new ATOM 0 HA TYR A 104 -16.979 2.694 -2.737 1.00 4.13 H new ATOM 0 HB2 TYR A 104 -14.913 4.332 -3.989 1.00 52.51 H new ATOM 0 HB3 TYR A 104 -14.461 2.642 -4.082 1.00 52.51 H new ATOM 0 HD1 TYR A 104 -17.808 4.365 -4.416 1.00 3.11 H new ATOM 0 HD2 TYR A 104 -14.763 1.967 -6.284 1.00 4.21 H new ATOM 0 HE1 TYR A 104 -19.295 4.007 -6.368 1.00 71.33 H new ATOM 0 HE2 TYR A 104 -16.240 1.612 -8.246 1.00 74.01 H new ATOM 0 HH TYR A 104 -18.259 1.935 -9.135 1.00 1.22 H new ATOM 1675 N ALA A 105 -14.165 2.449 -1.032 1.00 61.22 N ATOM 1676 CA ALA A 105 -13.330 1.544 -0.266 1.00 15.54 C ATOM 1677 C ALA A 105 -14.171 0.617 0.622 1.00 34.31 C ATOM 1678 O ALA A 105 -13.768 -0.521 0.859 1.00 20.54 O ATOM 1679 CB ALA A 105 -12.365 2.373 0.569 1.00 71.23 C ATOM 0 H ALA A 105 -13.935 3.433 -0.896 1.00 61.22 H new ATOM 0 HA ALA A 105 -12.773 0.901 -0.948 1.00 15.54 H new ATOM 0 HB1 ALA A 105 -11.727 1.710 1.153 1.00 71.23 H new ATOM 0 HB2 ALA A 105 -11.747 2.984 -0.089 1.00 71.23 H new ATOM 0 HB3 ALA A 105 -12.929 3.020 1.241 1.00 71.23 H new ATOM 1685 N TYR A 106 -15.351 1.062 1.079 1.00 74.11 N ATOM 1686 CA TYR A 106 -16.236 0.263 1.917 1.00 31.23 C ATOM 1687 C TYR A 106 -16.645 -1.034 1.214 1.00 33.32 C ATOM 1688 O TYR A 106 -16.724 -2.087 1.850 1.00 73.44 O ATOM 1689 CB TYR A 106 -17.475 1.083 2.349 1.00 1.23 C ATOM 1690 CG TYR A 106 -18.752 0.883 1.530 1.00 73.34 C ATOM 1691 CD1 TYR A 106 -18.807 1.210 0.158 1.00 61.35 C ATOM 1692 CD2 TYR A 106 -19.872 0.268 2.126 1.00 41.45 C ATOM 1693 CE1 TYR A 106 -19.948 0.910 -0.604 1.00 32.32 C ATOM 1694 CE2 TYR A 106 -21.024 -0.014 1.370 1.00 72.02 C ATOM 1695 CZ TYR A 106 -21.071 0.313 -0.001 1.00 54.11 C ATOM 1696 OH TYR A 106 -22.158 0.007 -0.762 1.00 42.24 O ATOM 0 H TYR A 106 -15.714 1.993 0.872 1.00 74.11 H new ATOM 0 HA TYR A 106 -15.687 -0.012 2.817 1.00 31.23 H new ATOM 0 HB2 TYR A 106 -17.697 0.842 3.389 1.00 1.23 H new ATOM 0 HB3 TYR A 106 -17.212 2.140 2.316 1.00 1.23 H new ATOM 0 HD1 TYR A 106 -17.964 1.696 -0.310 1.00 61.35 H new ATOM 0 HD2 TYR A 106 -19.845 0.011 3.175 1.00 41.45 H new ATOM 0 HE1 TYR A 106 -19.964 1.139 -1.659 1.00 32.32 H new ATOM 0 HE2 TYR A 106 -21.875 -0.483 1.841 1.00 72.02 H new ATOM 0 HH TYR A 106 -22.848 -0.400 -0.198 1.00 42.24 H new ATOM 1706 N GLN A 107 -16.863 -0.955 -0.102 1.00 13.44 N ATOM 1707 CA GLN A 107 -17.267 -2.064 -0.941 1.00 12.01 C ATOM 1708 C GLN A 107 -16.126 -3.068 -0.951 1.00 43.31 C ATOM 1709 O GLN A 107 -16.300 -4.248 -0.678 1.00 32.32 O ATOM 1710 CB GLN A 107 -17.783 -1.544 -2.292 1.00 35.44 C ATOM 1711 CG GLN A 107 -16.867 -1.558 -3.505 1.00 73.53 C ATOM 1712 CD GLN A 107 -17.597 -1.097 -4.766 1.00 41.23 C ATOM 1713 OE1 GLN A 107 -18.074 -1.905 -5.547 1.00 74.41 O ATOM 1714 NE2 GLN A 107 -17.787 0.196 -4.975 1.00 20.21 N ATOM 0 H GLN A 107 -16.757 -0.083 -0.621 1.00 13.44 H new ATOM 0 HA GLN A 107 -18.128 -2.614 -0.561 1.00 12.01 H new ATOM 0 HB2 GLN A 107 -18.670 -2.125 -2.547 1.00 35.44 H new ATOM 0 HB3 GLN A 107 -18.108 -0.515 -2.142 1.00 35.44 H new ATOM 0 HG2 GLN A 107 -16.010 -0.910 -3.322 1.00 73.53 H new ATOM 0 HG3 GLN A 107 -16.478 -2.565 -3.656 1.00 73.53 H new ATOM 0 HE21 GLN A 107 -17.393 0.880 -4.329 1.00 20.21 H new ATOM 0 HE22 GLN A 107 -18.327 0.508 -5.782 1.00 20.21 H new ATOM 1723 N ARG A 108 -14.917 -2.564 -1.179 1.00 35.40 N ATOM 1724 CA ARG A 108 -13.715 -3.403 -1.202 1.00 33.45 C ATOM 1725 C ARG A 108 -13.488 -4.064 0.166 1.00 64.14 C ATOM 1726 O ARG A 108 -12.949 -5.171 0.198 1.00 60.45 O ATOM 1727 CB ARG A 108 -12.473 -2.614 -1.646 1.00 42.12 C ATOM 1728 CG ARG A 108 -12.683 -1.633 -2.814 1.00 72.50 C ATOM 1729 CD ARG A 108 -13.316 -2.254 -4.074 1.00 12.42 C ATOM 1730 NE ARG A 108 -12.506 -3.338 -4.649 1.00 45.03 N ATOM 1731 CZ ARG A 108 -12.950 -4.519 -5.107 1.00 63.11 C ATOM 1732 NH1 ARG A 108 -14.241 -4.836 -5.148 1.00 21.35 N ATOM 1733 NH2 ARG A 108 -12.073 -5.422 -5.515 1.00 2.21 N ATOM 0 H ARG A 108 -14.739 -1.575 -1.352 1.00 35.40 H new ATOM 0 HA ARG A 108 -13.878 -4.188 -1.941 1.00 33.45 H new ATOM 0 HB2 ARG A 108 -12.096 -2.054 -0.790 1.00 42.12 H new ATOM 0 HB3 ARG A 108 -11.696 -3.325 -1.929 1.00 42.12 H new ATOM 0 HG2 ARG A 108 -13.316 -0.814 -2.473 1.00 72.50 H new ATOM 0 HG3 ARG A 108 -11.720 -1.200 -3.084 1.00 72.50 H new ATOM 0 HD2 ARG A 108 -14.305 -2.640 -3.825 1.00 12.42 H new ATOM 0 HD3 ARG A 108 -13.457 -1.476 -4.824 1.00 12.42 H new ATOM 0 HE ARG A 108 -11.501 -3.175 -4.706 1.00 45.03 H new ATOM 0 HH11 ARG A 108 -14.941 -4.169 -4.823 1.00 21.35 H new ATOM 0 HH12 ARG A 108 -14.532 -5.746 -5.505 1.00 21.35 H new ATOM 0 HH21 ARG A 108 -11.075 -5.216 -5.479 1.00 2.21 H new ATOM 0 HH22 ARG A 108 -12.395 -6.324 -5.866 1.00 2.21 H new ATOM 1747 N TYR A 109 -13.880 -3.426 1.275 1.00 1.23 N ATOM 1748 CA TYR A 109 -13.730 -3.993 2.610 1.00 51.42 C ATOM 1749 C TYR A 109 -14.701 -5.155 2.762 1.00 22.11 C ATOM 1750 O TYR A 109 -14.267 -6.256 3.079 1.00 22.54 O ATOM 1751 CB TYR A 109 -13.999 -2.921 3.679 1.00 73.43 C ATOM 1752 CG TYR A 109 -13.906 -3.400 5.121 1.00 60.03 C ATOM 1753 CD1 TYR A 109 -14.952 -4.155 5.694 1.00 54.10 C ATOM 1754 CD2 TYR A 109 -12.788 -3.072 5.908 1.00 50.03 C ATOM 1755 CE1 TYR A 109 -14.850 -4.641 7.009 1.00 51.34 C ATOM 1756 CE2 TYR A 109 -12.691 -3.535 7.232 1.00 51.04 C ATOM 1757 CZ TYR A 109 -13.701 -4.357 7.778 1.00 34.14 C ATOM 1758 OH TYR A 109 -13.569 -4.895 9.024 1.00 72.42 O ATOM 0 H TYR A 109 -14.310 -2.501 1.266 1.00 1.23 H new ATOM 0 HA TYR A 109 -12.710 -4.352 2.744 1.00 51.42 H new ATOM 0 HB2 TYR A 109 -13.290 -2.106 3.538 1.00 73.43 H new ATOM 0 HB3 TYR A 109 -14.995 -2.509 3.514 1.00 73.43 H new ATOM 0 HD1 TYR A 109 -15.840 -4.362 5.116 1.00 54.10 H new ATOM 0 HD2 TYR A 109 -12.000 -2.461 5.493 1.00 50.03 H new ATOM 0 HE1 TYR A 109 -15.650 -5.231 7.431 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -11.838 -3.260 7.835 1.00 51.04 H new ATOM 0 HH TYR A 109 -12.721 -4.602 9.419 1.00 72.42 H new ATOM 1768 N GLN A 110 -15.999 -4.941 2.511 1.00 4.42 N ATOM 1769 CA GLN A 110 -17.003 -5.995 2.648 1.00 74.35 C ATOM 1770 C GLN A 110 -16.739 -7.158 1.691 1.00 55.33 C ATOM 1771 O GLN A 110 -17.065 -8.298 2.006 1.00 72.31 O ATOM 1772 CB GLN A 110 -18.438 -5.453 2.562 1.00 14.34 C ATOM 1773 CG GLN A 110 -18.794 -4.866 1.196 1.00 65.00 C ATOM 1774 CD GLN A 110 -20.167 -4.215 1.176 1.00 70.01 C ATOM 1775 OE1 GLN A 110 -20.284 -3.006 1.022 1.00 54.24 O ATOM 1776 NE2 GLN A 110 -21.237 -4.979 1.289 1.00 43.13 N ATOM 0 H GLN A 110 -16.376 -4.042 2.211 1.00 4.42 H new ATOM 0 HA GLN A 110 -16.906 -6.401 3.655 1.00 74.35 H new ATOM 0 HB2 GLN A 110 -19.135 -6.258 2.794 1.00 14.34 H new ATOM 0 HB3 GLN A 110 -18.573 -4.685 3.324 1.00 14.34 H new ATOM 0 HG2 GLN A 110 -18.043 -4.128 0.916 1.00 65.00 H new ATOM 0 HG3 GLN A 110 -18.760 -5.656 0.446 1.00 65.00 H new ATOM 0 HE21 GLN A 110 -21.134 -5.986 1.417 1.00 43.13 H new ATOM 0 HE22 GLN A 110 -22.167 -4.563 1.248 1.00 43.13 H new ATOM 1785 N GLU A 111 -16.132 -6.890 0.538 1.00 41.44 N ATOM 1786 CA GLU A 111 -15.822 -7.927 -0.444 1.00 13.13 C ATOM 1787 C GLU A 111 -14.963 -9.038 0.174 1.00 4.41 C ATOM 1788 O GLU A 111 -15.024 -10.189 -0.263 1.00 74.15 O ATOM 1789 CB GLU A 111 -15.079 -7.289 -1.623 1.00 71.32 C ATOM 1790 CG GLU A 111 -16.004 -6.532 -2.575 1.00 22.35 C ATOM 1791 CD GLU A 111 -16.330 -7.328 -3.825 1.00 71.52 C ATOM 1792 OE1 GLU A 111 -15.398 -7.540 -4.639 1.00 50.33 O ATOM 1793 OE2 GLU A 111 -17.536 -7.621 -4.021 1.00 74.13 O ATOM 0 H GLU A 111 -15.842 -5.953 0.258 1.00 41.44 H new ATOM 0 HA GLU A 111 -16.754 -8.377 -0.786 1.00 13.13 H new ATOM 0 HB2 GLU A 111 -14.322 -6.604 -1.240 1.00 71.32 H new ATOM 0 HB3 GLU A 111 -14.554 -8.067 -2.178 1.00 71.32 H new ATOM 0 HG2 GLU A 111 -16.929 -6.283 -2.056 1.00 22.35 H new ATOM 0 HG3 GLU A 111 -15.535 -5.590 -2.860 1.00 22.35 H new ATOM 1800 N ARG A 112 -14.065 -8.683 1.101 1.00 75.20 N ATOM 1801 CA ARG A 112 -13.185 -9.622 1.788 1.00 24.55 C ATOM 1802 C ARG A 112 -13.558 -9.887 3.244 1.00 42.41 C ATOM 1803 O ARG A 112 -13.651 -11.040 3.661 1.00 23.43 O ATOM 1804 CB ARG A 112 -11.736 -9.142 1.624 1.00 10.23 C ATOM 1805 CG ARG A 112 -11.307 -9.061 0.144 1.00 71.24 C ATOM 1806 CD ARG A 112 -11.241 -10.440 -0.524 1.00 50.52 C ATOM 1807 NE ARG A 112 -11.012 -10.353 -1.974 1.00 74.31 N ATOM 1808 CZ ARG A 112 -11.866 -10.709 -2.947 1.00 61.21 C ATOM 1809 NH1 ARG A 112 -13.159 -10.943 -2.704 1.00 32.32 N ATOM 1810 NH2 ARG A 112 -11.400 -10.833 -4.183 1.00 14.54 N ATOM 0 H ARG A 112 -13.931 -7.716 1.396 1.00 75.20 H new ATOM 0 HA ARG A 112 -13.305 -10.598 1.319 1.00 24.55 H new ATOM 0 HB2 ARG A 112 -11.627 -8.160 2.085 1.00 10.23 H new ATOM 0 HB3 ARG A 112 -11.069 -9.820 2.156 1.00 10.23 H new ATOM 0 HG2 ARG A 112 -12.009 -8.430 -0.401 1.00 71.24 H new ATOM 0 HG3 ARG A 112 -10.330 -8.581 0.078 1.00 71.24 H new ATOM 0 HD2 ARG A 112 -10.441 -11.023 -0.068 1.00 50.52 H new ATOM 0 HD3 ARG A 112 -12.172 -10.975 -0.338 1.00 50.52 H new ATOM 0 HE ARG A 112 -10.109 -9.983 -2.272 1.00 74.31 H new ATOM 0 HH11 ARG A 112 -13.524 -10.853 -1.756 1.00 32.32 H new ATOM 0 HH12 ARG A 112 -13.781 -11.212 -3.467 1.00 32.32 H new ATOM 0 HH21 ARG A 112 -10.414 -10.659 -4.376 1.00 14.54 H new ATOM 0 HH22 ARG A 112 -12.028 -11.102 -4.940 1.00 14.54 H new ATOM 1824 N TYR A 113 -13.784 -8.820 3.999 1.00 42.33 N ATOM 1825 CA TYR A 113 -14.103 -8.796 5.422 1.00 32.52 C ATOM 1826 C TYR A 113 -15.595 -8.592 5.715 1.00 12.42 C ATOM 1827 O TYR A 113 -15.970 -8.064 6.769 1.00 22.33 O ATOM 1828 CB TYR A 113 -13.221 -7.715 6.071 1.00 64.24 C ATOM 1829 CG TYR A 113 -11.775 -7.717 5.593 1.00 41.44 C ATOM 1830 CD1 TYR A 113 -11.253 -6.602 4.903 1.00 55.33 C ATOM 1831 CD2 TYR A 113 -10.981 -8.866 5.769 1.00 65.20 C ATOM 1832 CE1 TYR A 113 -9.936 -6.626 4.409 1.00 10.02 C ATOM 1833 CE2 TYR A 113 -9.666 -8.901 5.276 1.00 30.05 C ATOM 1834 CZ TYR A 113 -9.142 -7.775 4.607 1.00 42.25 C ATOM 1835 OH TYR A 113 -7.883 -7.807 4.100 1.00 11.43 O ATOM 0 H TYR A 113 -13.747 -7.880 3.605 1.00 42.33 H new ATOM 0 HA TYR A 113 -13.888 -9.773 5.855 1.00 32.52 H new ATOM 0 HB2 TYR A 113 -13.657 -6.737 5.869 1.00 64.24 H new ATOM 0 HB3 TYR A 113 -13.234 -7.852 7.152 1.00 64.24 H new ATOM 0 HD1 TYR A 113 -11.867 -5.726 4.754 1.00 55.33 H new ATOM 0 HD2 TYR A 113 -11.385 -9.724 6.285 1.00 65.20 H new ATOM 0 HE1 TYR A 113 -9.536 -5.772 3.883 1.00 10.02 H new ATOM 0 HE2 TYR A 113 -9.060 -9.785 5.408 1.00 30.05 H new ATOM 0 HH TYR A 113 -7.463 -8.665 4.321 1.00 11.43 H new ATOM 1845 N GLY A 114 -16.453 -8.950 4.763 1.00 61.03 N ATOM 1846 CA GLY A 114 -17.900 -8.851 4.840 1.00 30.11 C ATOM 1847 C GLY A 114 -18.510 -10.029 4.099 1.00 3.00 C ATOM 1848 O GLY A 114 -18.023 -11.150 4.257 1.00 43.40 O ATOM 0 H GLY A 114 -16.137 -9.336 3.873 1.00 61.03 H new ATOM 0 HA2 GLY A 114 -18.224 -8.851 5.881 1.00 30.11 H new ATOM 0 HA3 GLY A 114 -18.238 -7.912 4.401 1.00 30.11 H new ATOM 1852 N ASN A 115 -19.531 -9.775 3.276 1.00 60.34 N ATOM 1853 CA ASN A 115 -20.283 -10.753 2.491 1.00 22.35 C ATOM 1854 C ASN A 115 -21.152 -11.561 3.450 1.00 54.24 C ATOM 1855 O ASN A 115 -20.695 -12.540 4.041 1.00 22.02 O ATOM 1856 CB ASN A 115 -19.406 -11.616 1.570 1.00 33.42 C ATOM 1857 CG ASN A 115 -20.229 -12.673 0.847 1.00 13.31 C ATOM 1858 OD1 ASN A 115 -21.018 -12.369 -0.035 1.00 15.04 O ATOM 1859 ND2 ASN A 115 -20.049 -13.938 1.178 1.00 53.33 N ATOM 0 H ASN A 115 -19.873 -8.825 3.133 1.00 60.34 H new ATOM 0 HA ASN A 115 -20.925 -10.227 1.785 1.00 22.35 H new ATOM 0 HB2 ASN A 115 -18.907 -10.979 0.840 1.00 33.42 H new ATOM 0 HB3 ASN A 115 -18.626 -12.100 2.157 1.00 33.42 H new ATOM 0 HD21 ASN A 115 -20.571 -14.670 0.696 1.00 53.33 H new ATOM 0 HD22 ASN A 115 -19.388 -14.183 1.915 1.00 53.33 H new ATOM 1866 N LYS A 116 -22.368 -11.067 3.703 1.00 24.40 N ATOM 1867 CA LYS A 116 -23.364 -11.684 4.581 1.00 22.51 C ATOM 1868 C LYS A 116 -24.576 -11.993 3.719 1.00 24.12 C ATOM 1869 O LYS A 116 -24.925 -11.162 2.879 1.00 40.25 O ATOM 1870 CB LYS A 116 -23.827 -10.724 5.693 1.00 52.42 C ATOM 1871 CG LYS A 116 -22.904 -10.617 6.912 1.00 60.21 C ATOM 1872 CD LYS A 116 -23.475 -9.567 7.877 1.00 4.22 C ATOM 1873 CE LYS A 116 -22.740 -9.525 9.221 1.00 42.30 C ATOM 1874 NZ LYS A 116 -23.223 -10.541 10.179 1.00 70.52 N ATOM 0 H LYS A 116 -22.696 -10.196 3.287 1.00 24.40 H new ATOM 0 HA LYS A 116 -22.926 -12.566 5.048 1.00 22.51 H new ATOM 0 HB2 LYS A 116 -23.945 -9.730 5.262 1.00 52.42 H new ATOM 0 HB3 LYS A 116 -24.812 -11.042 6.034 1.00 52.42 H new ATOM 0 HG2 LYS A 116 -22.824 -11.583 7.410 1.00 60.21 H new ATOM 0 HG3 LYS A 116 -21.898 -10.335 6.600 1.00 60.21 H new ATOM 0 HD2 LYS A 116 -23.421 -8.584 7.409 1.00 4.22 H new ATOM 0 HD3 LYS A 116 -24.530 -9.779 8.053 1.00 4.22 H new ATOM 0 HE2 LYS A 116 -21.674 -9.674 9.050 1.00 42.30 H new ATOM 0 HE3 LYS A 116 -22.857 -8.535 9.661 1.00 42.30 H new ATOM 0 HZ1 LYS A 116 -22.688 -10.462 11.067 1.00 70.52 H new ATOM 0 HZ2 LYS A 116 -24.234 -10.387 10.369 1.00 70.52 H new ATOM 0 HZ3 LYS A 116 -23.087 -11.490 9.776 1.00 70.52 H new ATOM 1888 N LYS A 117 -25.280 -13.088 4.024 1.00 73.31 N ATOM 1889 CA LYS A 117 -26.481 -13.554 3.326 1.00 2.42 C ATOM 1890 C LYS A 117 -26.176 -13.893 1.866 1.00 63.12 C ATOM 1891 O LYS A 117 -25.123 -13.543 1.333 1.00 4.42 O ATOM 1892 CB LYS A 117 -27.570 -12.473 3.477 1.00 41.33 C ATOM 1893 CG LYS A 117 -29.016 -12.909 3.222 1.00 75.04 C ATOM 1894 CD LYS A 117 -29.898 -11.693 3.521 1.00 10.32 C ATOM 1895 CE LYS A 117 -31.388 -12.024 3.476 1.00 30.32 C ATOM 1896 NZ LYS A 117 -32.145 -11.005 4.229 1.00 35.42 N ATOM 0 H LYS A 117 -25.017 -13.699 4.797 1.00 73.31 H new ATOM 0 HA LYS A 117 -26.845 -14.482 3.768 1.00 2.42 H new ATOM 0 HB2 LYS A 117 -27.510 -12.069 4.488 1.00 41.33 H new ATOM 0 HB3 LYS A 117 -27.336 -11.657 2.793 1.00 41.33 H new ATOM 0 HG2 LYS A 117 -29.146 -13.238 2.191 1.00 75.04 H new ATOM 0 HG3 LYS A 117 -29.286 -13.750 3.861 1.00 75.04 H new ATOM 0 HD2 LYS A 117 -29.646 -11.300 4.506 1.00 10.32 H new ATOM 0 HD3 LYS A 117 -29.682 -10.906 2.799 1.00 10.32 H new ATOM 0 HE2 LYS A 117 -31.732 -12.057 2.442 1.00 30.32 H new ATOM 0 HE3 LYS A 117 -31.564 -13.011 3.903 1.00 30.32 H new ATOM 0 HZ1 LYS A 117 -33.159 -11.232 4.197 1.00 35.42 H new ATOM 0 HZ2 LYS A 117 -31.824 -10.994 5.218 1.00 35.42 H new ATOM 0 HZ3 LYS A 117 -31.986 -10.070 3.803 1.00 35.42 H new ATOM 1910 N SER A 118 -27.091 -14.609 1.222 1.00 2.14 N ATOM 1911 CA SER A 118 -26.963 -14.996 -0.167 1.00 34.33 C ATOM 1912 C SER A 118 -27.184 -13.752 -1.025 1.00 51.15 C ATOM 1913 O SER A 118 -26.239 -13.254 -1.630 1.00 1.02 O ATOM 1914 CB SER A 118 -27.927 -16.146 -0.476 1.00 31.33 C ATOM 1915 OG SER A 118 -29.227 -15.972 0.073 1.00 62.21 O ATOM 0 H SER A 118 -27.951 -14.938 1.661 1.00 2.14 H new ATOM 0 HA SER A 118 -25.968 -15.378 -0.393 1.00 34.33 H new ATOM 0 HB2 SER A 118 -28.012 -16.255 -1.557 1.00 31.33 H new ATOM 0 HB3 SER A 118 -27.503 -17.075 -0.094 1.00 31.33 H new ATOM 0 HG SER A 118 -29.788 -16.740 -0.164 1.00 62.21 H new ATOM 1921 N GLN A 119 -28.420 -13.245 -1.073 1.00 4.44 N ATOM 1922 CA GLN A 119 -28.806 -12.063 -1.825 1.00 12.13 C ATOM 1923 C GLN A 119 -30.232 -11.651 -1.441 1.00 30.43 C ATOM 1924 O GLN A 119 -30.887 -12.333 -0.646 1.00 15.22 O ATOM 1925 CB GLN A 119 -28.669 -12.334 -3.339 1.00 34.11 C ATOM 1926 CG GLN A 119 -27.705 -11.337 -3.985 1.00 61.31 C ATOM 1927 CD GLN A 119 -28.371 -9.989 -4.211 1.00 21.50 C ATOM 1928 OE1 GLN A 119 -28.256 -9.056 -3.283 1.00 20.32 O flip ATOM 1929 NE2 GLN A 119 -29.041 -9.802 -5.217 1.00 12.13 N flip ATOM 0 H GLN A 119 -29.201 -13.666 -0.570 1.00 4.44 H new ATOM 0 HA GLN A 119 -28.143 -11.233 -1.580 1.00 12.13 H new ATOM 0 HB2 GLN A 119 -28.310 -13.350 -3.500 1.00 34.11 H new ATOM 0 HB3 GLN A 119 -29.647 -12.262 -3.816 1.00 34.11 H new ATOM 0 HG2 GLN A 119 -26.830 -11.210 -3.348 1.00 61.31 H new ATOM 0 HG3 GLN A 119 -27.352 -11.734 -4.937 1.00 61.31 H new ATOM 0 HE21 GLN A 119 -29.118 -10.535 -5.922 1.00 12.13 H new ATOM 0 HE22 GLN A 119 -29.523 -8.913 -5.351 1.00 12.13 H new ATOM 1938 N ASP A 120 -30.712 -10.549 -2.018 1.00 21.42 N ATOM 1939 CA ASP A 120 -32.030 -9.965 -1.816 1.00 1.14 C ATOM 1940 C ASP A 120 -32.495 -9.423 -3.171 1.00 5.25 C ATOM 1941 O ASP A 120 -31.742 -8.746 -3.872 1.00 4.45 O ATOM 1942 CB ASP A 120 -32.048 -8.873 -0.717 1.00 45.24 C ATOM 1943 CG ASP A 120 -30.680 -8.418 -0.187 1.00 32.13 C ATOM 1944 OD1 ASP A 120 -30.020 -7.564 -0.808 1.00 44.52 O ATOM 1945 OD2 ASP A 120 -30.260 -8.912 0.892 1.00 41.13 O ATOM 0 H ASP A 120 -30.153 -10.010 -2.679 1.00 21.42 H new ATOM 0 HA ASP A 120 -32.716 -10.729 -1.451 1.00 1.14 H new ATOM 0 HB2 ASP A 120 -32.570 -8.001 -1.110 1.00 45.24 H new ATOM 0 HB3 ASP A 120 -32.635 -9.243 0.124 1.00 45.24 H new ATOM 1950 N LEU A 121 -33.702 -9.818 -3.581 1.00 72.11 N ATOM 1951 CA LEU A 121 -34.387 -9.447 -4.821 1.00 64.50 C ATOM 1952 C LEU A 121 -35.884 -9.321 -4.487 1.00 62.24 C ATOM 1953 O LEU A 121 -36.270 -9.468 -3.324 1.00 31.31 O ATOM 1954 CB LEU A 121 -34.174 -10.496 -5.942 1.00 55.13 C ATOM 1955 CG LEU A 121 -32.748 -10.590 -6.528 1.00 43.32 C ATOM 1956 CD1 LEU A 121 -31.931 -11.698 -5.852 1.00 2.31 C ATOM 1957 CD2 LEU A 121 -32.808 -10.907 -8.029 1.00 43.54 C ATOM 0 H LEU A 121 -34.267 -10.451 -3.015 1.00 72.11 H new ATOM 0 HA LEU A 121 -33.980 -8.508 -5.198 1.00 64.50 H new ATOM 0 HB2 LEU A 121 -34.449 -11.476 -5.551 1.00 55.13 H new ATOM 0 HB3 LEU A 121 -34.864 -10.273 -6.755 1.00 55.13 H new ATOM 0 HG LEU A 121 -32.271 -9.626 -6.353 1.00 43.32 H new ATOM 0 HD11 LEU A 121 -30.934 -11.734 -6.291 1.00 2.31 H new ATOM 0 HD12 LEU A 121 -31.851 -11.491 -4.785 1.00 2.31 H new ATOM 0 HD13 LEU A 121 -32.427 -12.657 -6.000 1.00 2.31 H new ATOM 0 HD21 LEU A 121 -31.796 -10.970 -8.428 1.00 43.54 H new ATOM 0 HD22 LEU A 121 -33.318 -11.859 -8.180 1.00 43.54 H new ATOM 0 HD23 LEU A 121 -33.353 -10.117 -8.546 1.00 43.54 H new ATOM 1969 N LYS A 122 -36.721 -9.020 -5.483 1.00 1.31 N ATOM 1970 CA LYS A 122 -38.163 -8.875 -5.371 1.00 1.43 C ATOM 1971 C LYS A 122 -38.741 -9.631 -6.539 1.00 45.55 C ATOM 1972 O LYS A 122 -38.309 -9.359 -7.684 1.00 44.34 O ATOM 1973 CB LYS A 122 -38.569 -7.384 -5.355 1.00 30.31 C ATOM 1974 CG LYS A 122 -40.029 -7.101 -5.782 1.00 41.00 C ATOM 1975 CD LYS A 122 -40.185 -6.769 -7.285 1.00 34.20 C ATOM 1976 CE LYS A 122 -41.300 -7.537 -8.018 1.00 35.21 C ATOM 1977 NZ LYS A 122 -40.927 -8.941 -8.298 1.00 43.12 N ATOM 0 H LYS A 122 -36.388 -8.864 -6.435 1.00 1.31 H new ATOM 0 HA LYS A 122 -38.547 -9.279 -4.435 1.00 1.43 H new ATOM 0 HB2 LYS A 122 -38.418 -6.992 -4.349 1.00 30.31 H new ATOM 0 HB3 LYS A 122 -37.899 -6.833 -6.016 1.00 30.31 H new ATOM 0 HG2 LYS A 122 -40.642 -7.971 -5.546 1.00 41.00 H new ATOM 0 HG3 LYS A 122 -40.415 -6.269 -5.193 1.00 41.00 H new ATOM 0 HD2 LYS A 122 -40.376 -5.701 -7.386 1.00 34.20 H new ATOM 0 HD3 LYS A 122 -39.238 -6.972 -7.785 1.00 34.20 H new ATOM 0 HE2 LYS A 122 -42.208 -7.518 -7.415 1.00 35.21 H new ATOM 0 HE3 LYS A 122 -41.530 -7.031 -8.956 1.00 35.21 H new ATOM 0 HZ1 LYS A 122 -41.429 -9.271 -9.147 1.00 43.12 H new ATOM 0 HZ2 LYS A 122 -39.901 -9.003 -8.457 1.00 43.12 H new ATOM 0 HZ3 LYS A 122 -41.188 -9.538 -7.487 1.00 43.12 H new TER 1991 LYS A 122