USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 CYS SG : rot -96:sc= -1.82! USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.168 X(o=-2,f=-1.8) USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc=0.000169 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0.0351 USER MOD Set 3.1: A 41 GLN : amide:sc= -0.123 X(o=-1.3,f=-1) USER MOD Set 3.2: A 73 GLN : amide:sc= -1.13 K(o=-1.3,f=-1.8) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 175:sc= 0.918 (180deg=0.375) USER MOD Set 4.2: A 102 SER OG : rot 180:sc= 0.382 USER MOD Single : A 1 ALA N :NH3+ -138:sc= 0.0381 (180deg=-0.318) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -43:sc= 1.15 USER MOD Single : A 11 THR OG1 : rot -124:sc= -1.79! USER MOD Single : A 14 SER OG : rot 170:sc= -0.278 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -55:sc= 0.0143 USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 1.43 (180deg=-0.223) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.04 (180deg=0.777) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -92:sc= 1.06 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.35) USER MOD Single : A 49 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.2) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0176 F(o=-1.2,f=-0.018) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 35:sc= 0.954 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 84 SER OG : rot 121:sc= 0.887 USER MOD Single : A 86 TYR OH : rot 150:sc= 0.0524 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 101 THR OG1 : rot -130:sc= 0.0413 USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0.963 (180deg=0.909) USER MOD Single : A 114 SER OG : rot -41:sc= 1.2 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.997 16.227 -7.270 1.00 0.00 N ATOM 2 CA ALA A 1 5.396 16.640 -7.455 1.00 0.00 C ATOM 3 C ALA A 1 6.270 15.428 -7.759 1.00 0.00 C ATOM 4 O ALA A 1 6.898 15.341 -8.809 1.00 0.00 O ATOM 5 CB ALA A 1 5.902 17.372 -6.214 1.00 0.00 C ATOM 0 H1 ALA A 1 3.369 16.905 -7.747 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.858 15.280 -7.677 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.773 16.203 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 1 5.450 17.324 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.939 17.672 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.290 18.257 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.838 16.710 -5.350 1.00 0.00 H new ATOM 13 N ASP A 2 6.294 14.498 -6.849 1.00 0.00 N ATOM 14 CA ASP A 2 7.091 13.288 -6.979 1.00 0.00 C ATOM 15 C ASP A 2 6.199 12.078 -7.087 1.00 0.00 C ATOM 16 O ASP A 2 6.457 11.190 -7.884 1.00 0.00 O ATOM 17 CB ASP A 2 8.002 13.148 -5.754 1.00 0.00 C ATOM 18 CG ASP A 2 8.583 11.760 -5.577 1.00 0.00 C ATOM 19 OD1 ASP A 2 9.674 11.465 -6.118 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.963 10.938 -4.851 1.00 0.00 O ATOM 0 H ASP A 2 5.759 14.548 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 2 7.695 13.357 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.819 13.865 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.436 13.411 -4.860 1.00 0.00 H new ATOM 25 N GLU A 3 5.115 12.128 -6.321 1.00 0.00 N ATOM 26 CA GLU A 3 4.139 11.050 -6.077 1.00 0.00 C ATOM 27 C GLU A 3 3.839 10.135 -7.285 1.00 0.00 C ATOM 28 O GLU A 3 3.039 10.477 -8.158 1.00 0.00 O ATOM 29 CB GLU A 3 2.802 11.616 -5.541 1.00 0.00 C ATOM 30 CG GLU A 3 2.914 12.602 -4.373 1.00 0.00 C ATOM 31 CD GLU A 3 3.287 14.007 -4.813 1.00 0.00 C ATOM 32 OE1 GLU A 3 4.475 14.324 -4.932 1.00 0.00 O ATOM 33 OE2 GLU A 3 2.398 14.812 -5.072 1.00 0.00 O ATOM 0 H GLU A 3 4.870 12.979 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 3 4.630 10.424 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.284 12.112 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.176 10.781 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.963 12.635 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.662 12.238 -3.668 1.00 0.00 H new ATOM 40 N PRO A 4 4.515 8.981 -7.358 1.00 0.00 N ATOM 41 CA PRO A 4 4.263 7.931 -8.338 1.00 0.00 C ATOM 42 C PRO A 4 3.665 6.743 -7.580 1.00 0.00 C ATOM 43 O PRO A 4 3.922 5.587 -7.884 1.00 0.00 O ATOM 44 CB PRO A 4 5.698 7.608 -8.758 1.00 0.00 C ATOM 45 CG PRO A 4 6.523 7.804 -7.500 1.00 0.00 C ATOM 46 CD PRO A 4 5.667 8.608 -6.524 1.00 0.00 C ATOM 0 HA PRO A 4 3.596 8.178 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.781 6.587 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.034 8.267 -9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.801 6.843 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.450 8.332 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.369 8.015 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.195 9.483 -6.144 1.00 0.00 H new ATOM 54 N ALA A 5 2.814 7.106 -6.638 1.00 0.00 N ATOM 55 CA ALA A 5 2.284 6.281 -5.539 1.00 0.00 C ATOM 56 C ALA A 5 1.515 4.989 -5.893 1.00 0.00 C ATOM 57 O ALA A 5 0.879 4.413 -5.004 1.00 0.00 O ATOM 58 CB ALA A 5 1.425 7.167 -4.669 1.00 0.00 C ATOM 0 H ALA A 5 2.440 8.054 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 5 3.171 5.892 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.017 6.582 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.029 7.983 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.607 7.577 -5.262 1.00 0.00 H new ATOM 64 N TYR A 6 1.601 4.516 -7.112 1.00 0.00 N ATOM 65 CA TYR A 6 0.898 3.303 -7.511 1.00 0.00 C ATOM 66 C TYR A 6 1.497 2.680 -8.770 1.00 0.00 C ATOM 67 O TYR A 6 0.845 1.878 -9.428 1.00 0.00 O ATOM 68 CB TYR A 6 -0.622 3.572 -7.701 1.00 0.00 C ATOM 69 CG TYR A 6 -0.965 4.703 -8.661 1.00 0.00 C ATOM 70 CD1 TYR A 6 -1.113 4.475 -10.026 1.00 0.00 C ATOM 71 CD2 TYR A 6 -1.147 5.994 -8.194 1.00 0.00 C ATOM 72 CE1 TYR A 6 -1.427 5.505 -10.888 1.00 0.00 C ATOM 73 CE2 TYR A 6 -1.462 7.025 -9.049 1.00 0.00 C ATOM 74 CZ TYR A 6 -1.602 6.778 -10.392 1.00 0.00 C ATOM 75 OH TYR A 6 -1.913 7.819 -11.248 1.00 0.00 O ATOM 0 H TYR A 6 2.151 4.949 -7.854 1.00 0.00 H new ATOM 0 HA TYR A 6 1.022 2.584 -6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.095 2.657 -8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.059 3.797 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.980 3.477 -10.416 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.040 6.195 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.535 5.314 -11.946 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.599 8.025 -8.665 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.003 8.649 -10.735 1.00 0.00 H new ATOM 85 N LEU A 7 2.741 2.992 -9.087 1.00 0.00 N ATOM 86 CA LEU A 7 3.324 2.485 -10.325 1.00 0.00 C ATOM 87 C LEU A 7 4.836 2.315 -10.247 1.00 0.00 C ATOM 88 O LEU A 7 5.456 2.824 -9.338 1.00 0.00 O ATOM 89 CB LEU A 7 2.894 3.360 -11.549 1.00 0.00 C ATOM 90 CG LEU A 7 3.140 4.894 -11.487 1.00 0.00 C ATOM 91 CD1 LEU A 7 4.619 5.259 -11.573 1.00 0.00 C ATOM 92 CD2 LEU A 7 2.357 5.601 -12.579 1.00 0.00 C ATOM 0 H LEU A 7 3.357 3.578 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 7 2.923 1.482 -10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.411 2.977 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.828 3.201 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 7 2.787 5.231 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.730 6.342 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.155 4.802 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.030 4.894 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.540 6.674 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.675 5.230 -13.553 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.293 5.407 -12.447 1.00 0.00 H new ATOM 104 N THR A 8 5.362 1.594 -11.246 1.00 0.00 N ATOM 105 CA THR A 8 6.780 1.276 -11.556 1.00 0.00 C ATOM 106 C THR A 8 7.158 -0.196 -11.461 1.00 0.00 C ATOM 107 O THR A 8 7.777 -0.624 -10.535 1.00 0.00 O ATOM 108 CB THR A 8 7.940 2.257 -11.083 1.00 0.00 C ATOM 109 OG1 THR A 8 7.948 2.511 -9.673 1.00 0.00 O ATOM 110 CG2 THR A 8 7.909 3.566 -11.854 1.00 0.00 C ATOM 0 H THR A 8 4.745 1.169 -11.938 1.00 0.00 H new ATOM 0 HA THR A 8 6.737 1.530 -12.615 1.00 0.00 H new ATOM 0 HB THR A 8 8.868 1.730 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.031 2.661 -9.362 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.715 4.213 -11.506 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.039 3.365 -12.917 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.951 4.061 -11.693 1.00 0.00 H new ATOM 118 N VAL A 9 6.693 -0.986 -12.408 1.00 0.00 N ATOM 119 CA VAL A 9 7.081 -2.385 -12.482 1.00 0.00 C ATOM 120 C VAL A 9 8.296 -2.496 -13.404 1.00 0.00 C ATOM 121 O VAL A 9 8.386 -1.779 -14.410 1.00 0.00 O ATOM 122 CB VAL A 9 5.946 -3.310 -13.019 1.00 0.00 C ATOM 123 CG1 VAL A 9 6.345 -4.786 -12.901 1.00 0.00 C ATOM 124 CG2 VAL A 9 4.629 -3.059 -12.297 1.00 0.00 C ATOM 0 H VAL A 9 6.046 -0.686 -13.138 1.00 0.00 H new ATOM 0 HA VAL A 9 7.307 -2.720 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 9 5.801 -3.069 -14.072 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.538 -5.413 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.249 -4.966 -13.482 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.531 -5.030 -11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.862 -3.722 -12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.755 -3.253 -11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.326 -2.022 -12.443 1.00 0.00 H new ATOM 134 N GLY A 10 9.240 -3.334 -13.044 1.00 0.00 N ATOM 135 CA GLY A 10 10.405 -3.563 -13.868 1.00 0.00 C ATOM 136 C GLY A 10 11.503 -2.572 -13.590 1.00 0.00 C ATOM 137 O GLY A 10 12.648 -2.772 -13.995 1.00 0.00 O ATOM 0 H GLY A 10 9.223 -3.873 -12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.777 -4.573 -13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.122 -3.503 -14.919 1.00 0.00 H new ATOM 141 N THR A 11 11.160 -1.529 -12.889 1.00 0.00 N ATOM 142 CA THR A 11 12.044 -0.473 -12.580 1.00 0.00 C ATOM 143 C THR A 11 13.122 -0.958 -11.599 1.00 0.00 C ATOM 144 O THR A 11 12.834 -1.666 -10.621 1.00 0.00 O ATOM 145 CB THR A 11 11.204 0.652 -11.987 1.00 0.00 C ATOM 146 OG1 THR A 11 9.995 0.733 -12.763 1.00 0.00 O ATOM 147 CG2 THR A 11 11.911 1.986 -12.085 1.00 0.00 C ATOM 0 H THR A 11 10.222 -1.399 -12.510 1.00 0.00 H new ATOM 0 HA THR A 11 12.566 -0.115 -13.468 1.00 0.00 H new ATOM 0 HB THR A 11 11.015 0.440 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.892 1.642 -13.114 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.282 2.764 -11.652 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.855 1.938 -11.542 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.107 2.218 -13.132 1.00 0.00 H new ATOM 155 N ASP A 12 14.343 -0.625 -11.903 1.00 0.00 N ATOM 156 CA ASP A 12 15.493 -1.030 -11.115 1.00 0.00 C ATOM 157 C ASP A 12 15.857 0.135 -10.219 1.00 0.00 C ATOM 158 O ASP A 12 16.284 1.189 -10.707 1.00 0.00 O ATOM 159 CB ASP A 12 16.697 -1.385 -12.034 1.00 0.00 C ATOM 160 CG ASP A 12 16.393 -2.445 -13.097 1.00 0.00 C ATOM 161 OD1 ASP A 12 15.786 -2.103 -14.136 1.00 0.00 O ATOM 162 OD2 ASP A 12 16.797 -3.624 -12.953 1.00 0.00 O ATOM 0 H ASP A 12 14.581 -0.056 -12.715 1.00 0.00 H new ATOM 0 HA ASP A 12 15.253 -1.917 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.038 -0.477 -12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.521 -1.737 -11.413 1.00 0.00 H new ATOM 167 N VAL A 13 15.637 -0.014 -8.939 1.00 0.00 N ATOM 168 CA VAL A 13 15.864 1.060 -7.979 1.00 0.00 C ATOM 169 C VAL A 13 16.536 0.535 -6.744 1.00 0.00 C ATOM 170 O VAL A 13 16.700 -0.659 -6.591 1.00 0.00 O ATOM 171 CB VAL A 13 14.535 1.737 -7.531 1.00 0.00 C ATOM 172 CG1 VAL A 13 13.862 2.424 -8.678 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.585 0.727 -6.891 1.00 0.00 C ATOM 0 H VAL A 13 15.295 -0.880 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 13 16.494 1.791 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 13 14.792 2.487 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.937 2.887 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.523 3.191 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.635 1.695 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.667 1.231 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.349 -0.057 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.060 0.285 -6.016 1.00 0.00 H new ATOM 183 N SER A 14 16.908 1.415 -5.872 1.00 0.00 N ATOM 184 CA SER A 14 17.417 1.014 -4.608 1.00 0.00 C ATOM 185 C SER A 14 16.276 1.027 -3.581 1.00 0.00 C ATOM 186 O SER A 14 15.456 1.962 -3.553 1.00 0.00 O ATOM 187 CB SER A 14 18.609 1.893 -4.219 1.00 0.00 C ATOM 188 OG SER A 14 18.354 3.253 -4.514 1.00 0.00 O ATOM 0 H SER A 14 16.867 2.424 -6.017 1.00 0.00 H new ATOM 0 HA SER A 14 17.798 -0.006 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.816 1.781 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.499 1.562 -4.754 1.00 0.00 H new ATOM 0 HG SER A 14 19.053 3.811 -4.114 1.00 0.00 H new ATOM 194 N ALA A 15 16.173 -0.040 -2.831 1.00 0.00 N ATOM 195 CA ALA A 15 15.139 -0.227 -1.846 1.00 0.00 C ATOM 196 C ALA A 15 15.761 -0.390 -0.473 1.00 0.00 C ATOM 197 O ALA A 15 16.584 -1.284 -0.247 1.00 0.00 O ATOM 198 CB ALA A 15 14.337 -1.445 -2.223 1.00 0.00 C ATOM 0 H ALA A 15 16.823 -0.824 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 15 14.481 0.641 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.548 -1.603 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.892 -1.297 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.990 -2.317 -2.248 1.00 0.00 H new ATOM 204 N LYS A 16 15.393 0.492 0.414 1.00 0.00 N ATOM 205 CA LYS A 16 15.914 0.543 1.750 1.00 0.00 C ATOM 206 C LYS A 16 15.191 -0.438 2.650 1.00 0.00 C ATOM 207 O LYS A 16 14.047 -0.188 3.066 1.00 0.00 O ATOM 208 CB LYS A 16 15.719 1.939 2.322 1.00 0.00 C ATOM 209 CG LYS A 16 16.403 2.157 3.655 1.00 0.00 C ATOM 210 CD LYS A 16 15.816 3.352 4.396 1.00 0.00 C ATOM 211 CE LYS A 16 14.692 2.947 5.377 1.00 0.00 C ATOM 212 NZ LYS A 16 13.554 2.204 4.766 1.00 0.00 N ATOM 0 H LYS A 16 14.702 1.216 0.221 1.00 0.00 H new ATOM 0 HA LYS A 16 16.973 0.287 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.097 2.670 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.652 2.128 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.301 1.262 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.470 2.314 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.609 3.859 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.423 4.066 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.125 2.332 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.304 3.848 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.895 1.903 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.057 2.822 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.915 1.367 4.265 1.00 0.00 H new ATOM 226 N TYR A 17 15.847 -1.497 2.976 1.00 0.00 N ATOM 227 CA TYR A 17 15.321 -2.488 3.858 1.00 0.00 C ATOM 228 C TYR A 17 16.469 -2.885 4.764 1.00 0.00 C ATOM 229 O TYR A 17 17.621 -2.818 4.330 1.00 0.00 O ATOM 230 CB TYR A 17 14.782 -3.695 3.055 1.00 0.00 C ATOM 231 CG TYR A 17 15.819 -4.698 2.586 1.00 0.00 C ATOM 232 CD1 TYR A 17 16.762 -4.386 1.611 1.00 0.00 C ATOM 233 CD2 TYR A 17 15.845 -5.966 3.132 1.00 0.00 C ATOM 234 CE1 TYR A 17 17.693 -5.326 1.208 1.00 0.00 C ATOM 235 CE2 TYR A 17 16.765 -6.897 2.729 1.00 0.00 C ATOM 236 CZ TYR A 17 17.685 -6.580 1.773 1.00 0.00 C ATOM 237 OH TYR A 17 18.591 -7.527 1.370 1.00 0.00 O ATOM 0 H TYR A 17 16.784 -1.706 2.631 1.00 0.00 H new ATOM 0 HA TYR A 17 14.480 -2.112 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.051 -4.219 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.250 -3.317 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.767 -3.402 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.125 -6.229 3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 17 18.423 -5.076 0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.762 -7.883 3.169 1.00 0.00 H new ATOM 0 HH TYR A 17 18.444 -8.355 1.873 1.00 0.00 H new ATOM 247 N ARG A 18 16.194 -3.208 6.026 1.00 0.00 N ATOM 248 CA ARG A 18 17.261 -3.585 6.989 1.00 0.00 C ATOM 249 C ARG A 18 18.219 -2.361 7.190 1.00 0.00 C ATOM 250 O ARG A 18 19.379 -2.480 7.596 1.00 0.00 O ATOM 251 CB ARG A 18 18.010 -4.849 6.435 1.00 0.00 C ATOM 252 CG ARG A 18 19.168 -5.397 7.260 1.00 0.00 C ATOM 253 CD ARG A 18 18.736 -5.924 8.607 1.00 0.00 C ATOM 254 NE ARG A 18 19.885 -6.472 9.328 1.00 0.00 N ATOM 255 CZ ARG A 18 19.854 -7.495 10.183 1.00 0.00 C ATOM 256 NH1 ARG A 18 18.695 -8.028 10.549 1.00 0.00 N ATOM 257 NH2 ARG A 18 20.991 -7.968 10.682 1.00 0.00 N ATOM 0 H ARG A 18 15.252 -3.220 6.417 1.00 0.00 H new ATOM 0 HA ARG A 18 16.847 -3.842 7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.278 -5.647 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.389 -4.607 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.657 -6.196 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.908 -4.610 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.280 -5.123 9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.977 -6.696 8.477 1.00 0.00 H new ATOM 0 HE ARG A 18 20.790 -6.033 9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.822 -7.655 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.677 -8.810 11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.880 -7.549 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.974 -8.750 11.336 1.00 0.00 H new ATOM 271 N GLY A 19 17.670 -1.178 6.951 1.00 0.00 N ATOM 272 CA GLY A 19 18.403 0.065 7.086 1.00 0.00 C ATOM 273 C GLY A 19 19.439 0.271 5.997 1.00 0.00 C ATOM 274 O GLY A 19 20.344 1.092 6.143 1.00 0.00 O ATOM 0 H GLY A 19 16.701 -1.057 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.699 0.897 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.898 0.084 8.057 1.00 0.00 H new ATOM 278 N ALA A 20 19.339 -0.481 4.924 1.00 0.00 N ATOM 279 CA ALA A 20 20.264 -0.361 3.823 1.00 0.00 C ATOM 280 C ALA A 20 19.503 -0.414 2.528 1.00 0.00 C ATOM 281 O ALA A 20 18.524 -1.132 2.418 1.00 0.00 O ATOM 282 CB ALA A 20 21.293 -1.480 3.873 1.00 0.00 C ATOM 0 H ALA A 20 18.617 -1.189 4.791 1.00 0.00 H new ATOM 0 HA ALA A 20 20.789 0.591 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.984 -1.377 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.847 -1.423 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.787 -2.443 3.808 1.00 0.00 H new ATOM 288 N PHE A 21 19.903 0.344 1.564 1.00 0.00 N ATOM 289 CA PHE A 21 19.237 0.267 0.299 1.00 0.00 C ATOM 290 C PHE A 21 19.977 -0.595 -0.675 1.00 0.00 C ATOM 291 O PHE A 21 21.105 -0.314 -1.059 1.00 0.00 O ATOM 292 CB PHE A 21 18.806 1.631 -0.275 1.00 0.00 C ATOM 293 CG PHE A 21 19.856 2.694 -0.310 1.00 0.00 C ATOM 294 CD1 PHE A 21 20.778 2.770 -1.341 1.00 0.00 C ATOM 295 CD2 PHE A 21 19.901 3.632 0.690 1.00 0.00 C ATOM 296 CE1 PHE A 21 21.727 3.769 -1.362 1.00 0.00 C ATOM 297 CE2 PHE A 21 20.837 4.627 0.679 1.00 0.00 C ATOM 298 CZ PHE A 21 21.758 4.702 -0.350 1.00 0.00 C ATOM 0 H PHE A 21 20.671 1.013 1.619 1.00 0.00 H new ATOM 0 HA PHE A 21 18.291 -0.238 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.442 1.476 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.965 1.999 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.753 2.039 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.186 3.583 1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.443 3.820 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.858 5.356 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.498 5.489 -0.360 1.00 0.00 H new ATOM 308 N CYS A 22 19.358 -1.675 -1.014 1.00 0.00 N ATOM 309 CA CYS A 22 19.909 -2.610 -1.945 1.00 0.00 C ATOM 310 C CYS A 22 19.246 -2.366 -3.271 1.00 0.00 C ATOM 311 O CYS A 22 18.058 -2.015 -3.306 1.00 0.00 O ATOM 312 CB CYS A 22 19.635 -4.043 -1.458 1.00 0.00 C ATOM 313 SG CYS A 22 20.283 -5.374 -2.510 1.00 0.00 S ATOM 0 H CYS A 22 18.443 -1.940 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 22 20.988 -2.486 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.060 -4.155 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.557 -4.174 -1.362 1.00 0.00 H new ATOM 0 HG CYS A 22 19.845 -5.220 -3.724 1.00 0.00 H new ATOM 319 N GLU A 23 19.988 -2.496 -4.350 1.00 0.00 N ATOM 320 CA GLU A 23 19.457 -2.341 -5.614 1.00 0.00 C ATOM 321 C GLU A 23 18.581 -3.538 -5.895 1.00 0.00 C ATOM 322 O GLU A 23 18.965 -4.702 -5.643 1.00 0.00 O ATOM 323 CB GLU A 23 20.572 -2.238 -6.595 1.00 0.00 C ATOM 324 CG GLU A 23 20.111 -1.957 -7.953 1.00 0.00 C ATOM 325 CD GLU A 23 21.233 -1.902 -8.941 1.00 0.00 C ATOM 326 OE1 GLU A 23 21.750 -2.972 -9.317 1.00 0.00 O ATOM 327 OE2 GLU A 23 21.625 -0.791 -9.365 1.00 0.00 O ATOM 0 H GLU A 23 20.984 -2.715 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 23 18.857 -1.434 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 23 21.256 -1.450 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 23 21.137 -3.170 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 23 19.401 -2.725 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.577 -1.007 -7.962 1.00 0.00 H new ATOM 334 N ALA A 24 17.441 -3.261 -6.370 1.00 0.00 N ATOM 335 CA ALA A 24 16.442 -4.229 -6.568 1.00 0.00 C ATOM 336 C ALA A 24 15.629 -3.891 -7.775 1.00 0.00 C ATOM 337 O ALA A 24 15.666 -2.763 -8.274 1.00 0.00 O ATOM 338 CB ALA A 24 15.549 -4.280 -5.351 1.00 0.00 C ATOM 0 H ALA A 24 17.162 -2.319 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 24 16.910 -5.201 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.772 -5.030 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 24 16.142 -4.542 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.087 -3.305 -5.198 1.00 0.00 H new ATOM 344 N LYS A 25 14.902 -4.837 -8.235 1.00 0.00 N ATOM 345 CA LYS A 25 14.054 -4.631 -9.359 1.00 0.00 C ATOM 346 C LYS A 25 12.630 -4.843 -8.913 1.00 0.00 C ATOM 347 O LYS A 25 12.322 -5.857 -8.292 1.00 0.00 O ATOM 348 CB LYS A 25 14.419 -5.607 -10.463 1.00 0.00 C ATOM 349 CG LYS A 25 13.789 -5.299 -11.798 1.00 0.00 C ATOM 350 CD LYS A 25 14.172 -6.345 -12.819 1.00 0.00 C ATOM 351 CE LYS A 25 13.808 -5.920 -14.220 1.00 0.00 C ATOM 352 NZ LYS A 25 14.515 -4.675 -14.611 1.00 0.00 N ATOM 0 H LYS A 25 14.873 -5.780 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 25 14.172 -3.620 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.503 -5.617 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.122 -6.610 -10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.704 -5.263 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.110 -4.315 -12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.244 -6.532 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.672 -7.284 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.058 -6.717 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.731 -5.764 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.777 -4.726 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.890 -3.858 -14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.374 -4.568 -14.034 1.00 0.00 H new ATOM 366 N ILE A 26 11.790 -3.886 -9.170 1.00 0.00 N ATOM 367 CA ILE A 26 10.395 -3.971 -8.794 1.00 0.00 C ATOM 368 C ILE A 26 9.700 -5.024 -9.651 1.00 0.00 C ATOM 369 O ILE A 26 9.521 -4.839 -10.843 1.00 0.00 O ATOM 370 CB ILE A 26 9.676 -2.615 -8.963 1.00 0.00 C ATOM 371 CG1 ILE A 26 10.533 -1.466 -8.372 1.00 0.00 C ATOM 372 CG2 ILE A 26 8.325 -2.681 -8.266 1.00 0.00 C ATOM 373 CD1 ILE A 26 9.956 -0.082 -8.527 1.00 0.00 C ATOM 0 H ILE A 26 12.044 -3.020 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 26 10.347 -4.250 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 26 9.530 -2.413 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.687 -1.660 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.514 -1.487 -8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.810 -1.727 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.724 -3.474 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.472 -2.889 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.633 0.646 -8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.829 0.143 -9.586 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.989 -0.033 -8.027 1.00 0.00 H new ATOM 385 N LYS A 27 9.353 -6.124 -9.046 1.00 0.00 N ATOM 386 CA LYS A 27 8.715 -7.221 -9.744 1.00 0.00 C ATOM 387 C LYS A 27 7.212 -7.025 -9.763 1.00 0.00 C ATOM 388 O LYS A 27 6.549 -7.270 -10.766 1.00 0.00 O ATOM 389 CB LYS A 27 9.056 -8.557 -9.057 1.00 0.00 C ATOM 390 CG LYS A 27 8.347 -9.766 -9.662 1.00 0.00 C ATOM 391 CD LYS A 27 8.559 -11.044 -8.845 1.00 0.00 C ATOM 392 CE LYS A 27 10.020 -11.457 -8.777 1.00 0.00 C ATOM 393 NZ LYS A 27 10.203 -12.718 -8.026 1.00 0.00 N ATOM 0 H LYS A 27 9.502 -6.293 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 27 9.084 -7.243 -10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.133 -8.716 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.796 -8.487 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.279 -9.558 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.710 -9.924 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.181 -10.892 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.976 -11.853 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.411 -11.576 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.599 -10.665 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.955 -13.282 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.468 -12.502 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.315 -13.259 -8.033 1.00 0.00 H new ATOM 407 N THR A 28 6.685 -6.591 -8.669 1.00 0.00 N ATOM 408 CA THR A 28 5.273 -6.431 -8.534 1.00 0.00 C ATOM 409 C THR A 28 4.974 -5.146 -7.823 1.00 0.00 C ATOM 410 O THR A 28 5.689 -4.742 -6.906 1.00 0.00 O ATOM 411 CB THR A 28 4.688 -7.600 -7.729 1.00 0.00 C ATOM 412 OG1 THR A 28 5.048 -8.838 -8.360 1.00 0.00 O ATOM 413 CG2 THR A 28 3.162 -7.515 -7.586 1.00 0.00 C ATOM 0 H THR A 28 7.221 -6.336 -7.839 1.00 0.00 H new ATOM 0 HA THR A 28 4.824 -6.413 -9.527 1.00 0.00 H new ATOM 0 HB THR A 28 5.106 -7.547 -6.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.677 -9.586 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.803 -8.367 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.895 -6.591 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.703 -7.527 -8.574 1.00 0.00 H new ATOM 421 N VAL A 29 3.959 -4.513 -8.263 1.00 0.00 N ATOM 422 CA VAL A 29 3.466 -3.330 -7.658 1.00 0.00 C ATOM 423 C VAL A 29 2.076 -3.598 -7.211 1.00 0.00 C ATOM 424 O VAL A 29 1.172 -3.797 -8.024 1.00 0.00 O ATOM 425 CB VAL A 29 3.502 -2.107 -8.602 1.00 0.00 C ATOM 426 CG1 VAL A 29 2.846 -0.896 -7.945 1.00 0.00 C ATOM 427 CG2 VAL A 29 4.926 -1.787 -8.926 1.00 0.00 C ATOM 0 H VAL A 29 3.427 -4.809 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 29 4.111 -3.075 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 29 2.951 -2.346 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.883 -0.047 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.807 -1.128 -7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.379 -0.647 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.963 -0.925 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.466 -1.559 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.389 -2.644 -9.416 1.00 0.00 H new ATOM 437 N LYS A 30 1.921 -3.692 -5.948 1.00 0.00 N ATOM 438 CA LYS A 30 0.629 -3.889 -5.370 1.00 0.00 C ATOM 439 C LYS A 30 -0.010 -2.534 -5.291 1.00 0.00 C ATOM 440 O LYS A 30 0.358 -1.739 -4.438 1.00 0.00 O ATOM 441 CB LYS A 30 0.753 -4.486 -3.963 1.00 0.00 C ATOM 442 CG LYS A 30 1.475 -5.838 -3.888 1.00 0.00 C ATOM 443 CD LYS A 30 0.700 -6.964 -4.570 1.00 0.00 C ATOM 444 CE LYS A 30 -0.655 -7.171 -3.916 1.00 0.00 C ATOM 445 NZ LYS A 30 -1.381 -8.328 -4.466 1.00 0.00 N ATOM 0 H LYS A 30 2.683 -3.636 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 30 0.036 -4.580 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.282 -3.774 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.247 -4.603 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.457 -5.746 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.640 -6.099 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.565 -6.729 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.276 -7.888 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.519 -7.309 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.258 -6.273 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.298 -8.423 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.537 -8.187 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.821 -9.192 -4.318 1.00 0.00 H new ATOM 459 N ARG A 31 -0.894 -2.235 -6.208 1.00 0.00 N ATOM 460 CA ARG A 31 -1.493 -0.928 -6.234 1.00 0.00 C ATOM 461 C ARG A 31 -2.655 -0.919 -5.282 1.00 0.00 C ATOM 462 O ARG A 31 -3.731 -1.430 -5.602 1.00 0.00 O ATOM 463 CB ARG A 31 -1.992 -0.544 -7.633 1.00 0.00 C ATOM 464 CG ARG A 31 -1.012 -0.784 -8.771 1.00 0.00 C ATOM 465 CD ARG A 31 -1.490 -0.111 -10.053 1.00 0.00 C ATOM 466 NE ARG A 31 -2.914 -0.360 -10.334 1.00 0.00 N ATOM 467 CZ ARG A 31 -3.632 0.289 -11.262 1.00 0.00 C ATOM 468 NH1 ARG A 31 -3.030 1.101 -12.130 1.00 0.00 N ATOM 469 NH2 ARG A 31 -4.941 0.094 -11.348 1.00 0.00 N ATOM 0 H ARG A 31 -1.212 -2.872 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.734 -0.202 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.904 -1.103 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.260 0.512 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.030 -0.398 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.899 -1.855 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.322 0.963 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.891 -0.469 -10.891 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.387 -1.077 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.019 1.231 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.580 1.593 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.404 -0.551 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.485 0.589 -12.055 1.00 0.00 H new ATOM 483 N LEU A 32 -2.453 -0.402 -4.112 1.00 0.00 N ATOM 484 CA LEU A 32 -3.516 -0.359 -3.158 1.00 0.00 C ATOM 485 C LEU A 32 -3.529 0.950 -2.425 1.00 0.00 C ATOM 486 O LEU A 32 -2.509 1.401 -1.878 1.00 0.00 O ATOM 487 CB LEU A 32 -3.514 -1.550 -2.159 1.00 0.00 C ATOM 488 CG LEU A 32 -2.447 -1.591 -1.053 1.00 0.00 C ATOM 489 CD1 LEU A 32 -2.777 -2.693 -0.067 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.082 -1.834 -1.627 1.00 0.00 C ATOM 0 H LEU A 32 -1.568 -0.006 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.435 -0.454 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.491 -1.576 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.421 -2.467 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.445 -0.625 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.019 -2.720 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.753 -2.502 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.797 -3.651 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.348 -1.858 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.074 -2.788 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.832 -1.033 -2.322 1.00 0.00 H new ATOM 502 N VAL A 33 -4.654 1.573 -2.455 1.00 0.00 N ATOM 503 CA VAL A 33 -4.874 2.781 -1.736 1.00 0.00 C ATOM 504 C VAL A 33 -5.708 2.414 -0.536 1.00 0.00 C ATOM 505 O VAL A 33 -6.734 1.759 -0.692 1.00 0.00 O ATOM 506 CB VAL A 33 -5.644 3.823 -2.604 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.847 5.134 -1.853 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.922 4.071 -3.924 1.00 0.00 C ATOM 0 H VAL A 33 -5.462 1.253 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.923 3.233 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.627 3.405 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.387 5.837 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.422 4.948 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.877 5.555 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.479 4.801 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.921 4.453 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.850 3.137 -4.481 1.00 0.00 H new ATOM 518 N LYS A 34 -5.244 2.747 0.637 1.00 0.00 N ATOM 519 CA LYS A 34 -5.988 2.496 1.835 1.00 0.00 C ATOM 520 C LYS A 34 -6.954 3.620 2.045 1.00 0.00 C ATOM 521 O LYS A 34 -6.576 4.737 2.398 1.00 0.00 O ATOM 522 CB LYS A 34 -5.088 2.309 3.058 1.00 0.00 C ATOM 523 CG LYS A 34 -4.214 1.067 2.997 1.00 0.00 C ATOM 524 CD LYS A 34 -3.455 0.835 4.302 1.00 0.00 C ATOM 525 CE LYS A 34 -2.414 1.907 4.587 1.00 0.00 C ATOM 526 NZ LYS A 34 -1.677 1.627 5.840 1.00 0.00 N ATOM 0 H LYS A 34 -4.342 3.199 0.787 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.528 1.557 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.449 3.186 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.711 2.259 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.835 0.198 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.503 1.164 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.166 0.799 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.964 -0.138 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.712 1.964 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.902 2.879 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.975 2.377 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.345 1.597 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.192 0.710 5.760 1.00 0.00 H new ATOM 540 N VAL A 35 -8.162 3.339 1.765 1.00 0.00 N ATOM 541 CA VAL A 35 -9.213 4.273 1.848 1.00 0.00 C ATOM 542 C VAL A 35 -9.851 4.147 3.221 1.00 0.00 C ATOM 543 O VAL A 35 -10.218 3.044 3.654 1.00 0.00 O ATOM 544 CB VAL A 35 -10.272 3.984 0.764 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.275 5.112 0.678 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.623 3.734 -0.593 1.00 0.00 C ATOM 0 H VAL A 35 -8.461 2.413 1.458 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.824 5.280 1.695 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.801 3.076 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.012 4.886 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.778 5.226 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.759 6.039 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.396 3.533 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.053 4.614 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.955 2.875 -0.524 1.00 0.00 H new ATOM 556 N LYS A 36 -9.940 5.243 3.906 1.00 0.00 N ATOM 557 CA LYS A 36 -10.543 5.277 5.190 1.00 0.00 C ATOM 558 C LYS A 36 -11.956 5.696 4.979 1.00 0.00 C ATOM 559 O LYS A 36 -12.223 6.827 4.585 1.00 0.00 O ATOM 560 CB LYS A 36 -9.829 6.269 6.097 1.00 0.00 C ATOM 561 CG LYS A 36 -10.148 6.127 7.577 1.00 0.00 C ATOM 562 CD LYS A 36 -9.278 7.061 8.404 1.00 0.00 C ATOM 563 CE LYS A 36 -9.478 6.852 9.893 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.555 7.688 10.688 1.00 0.00 N ATOM 0 H LYS A 36 -9.591 6.145 3.582 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.484 4.302 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.754 6.156 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.087 7.280 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.200 6.352 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.986 5.096 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.230 6.898 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.510 8.095 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.508 7.091 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.321 5.802 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.719 7.520 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.573 7.442 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.722 8.692 10.472 1.00 0.00 H new ATOM 578 N VAL A 37 -12.832 4.803 5.187 1.00 0.00 N ATOM 579 CA VAL A 37 -14.217 5.021 4.962 1.00 0.00 C ATOM 580 C VAL A 37 -14.968 4.895 6.226 1.00 0.00 C ATOM 581 O VAL A 37 -14.526 4.243 7.156 1.00 0.00 O ATOM 582 CB VAL A 37 -14.820 4.055 3.912 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.442 4.474 2.521 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.380 2.623 4.167 1.00 0.00 C ATOM 0 H VAL A 37 -12.611 3.868 5.529 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.307 6.033 4.567 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.905 4.101 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.877 3.781 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.817 5.479 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.357 4.467 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.819 1.968 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.293 2.561 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.712 2.311 5.157 1.00 0.00 H new ATOM 594 N LEU A 38 -16.063 5.530 6.277 1.00 0.00 N ATOM 595 CA LEU A 38 -16.912 5.431 7.405 1.00 0.00 C ATOM 596 C LEU A 38 -18.235 4.934 6.905 1.00 0.00 C ATOM 597 O LEU A 38 -18.888 5.598 6.093 1.00 0.00 O ATOM 598 CB LEU A 38 -17.014 6.791 8.136 1.00 0.00 C ATOM 599 CG LEU A 38 -17.557 6.785 9.598 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.322 8.140 10.252 1.00 0.00 C ATOM 601 CD2 LEU A 38 -19.050 6.438 9.671 1.00 0.00 C ATOM 0 H LEU A 38 -16.408 6.141 5.536 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.519 4.735 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.022 7.241 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.654 7.444 7.543 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.010 6.009 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.705 8.123 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.254 8.355 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.839 8.913 9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.375 6.448 10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.622 7.173 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.214 5.446 9.249 1.00 0.00 H new ATOM 613 N LEU A 39 -18.580 3.741 7.314 1.00 0.00 N ATOM 614 CA LEU A 39 -19.824 3.122 6.931 1.00 0.00 C ATOM 615 C LEU A 39 -20.969 3.914 7.496 1.00 0.00 C ATOM 616 O LEU A 39 -21.098 4.012 8.693 1.00 0.00 O ATOM 617 CB LEU A 39 -19.890 1.677 7.444 1.00 0.00 C ATOM 618 CG LEU A 39 -19.041 0.639 6.708 1.00 0.00 C ATOM 619 CD1 LEU A 39 -18.894 -0.610 7.561 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.727 0.264 5.414 1.00 0.00 C ATOM 0 H LEU A 39 -18.002 3.166 7.927 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.889 3.105 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -19.592 1.676 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -20.930 1.352 7.407 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.057 1.061 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.288 -1.344 7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.409 -0.353 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.879 -1.031 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.126 -0.476 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -20.710 -0.155 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -19.840 1.152 4.792 1.00 0.00 H new ATOM 632 N LYS A 40 -21.813 4.458 6.657 1.00 0.00 N ATOM 633 CA LYS A 40 -22.891 5.291 7.172 1.00 0.00 C ATOM 634 C LYS A 40 -23.989 4.453 7.792 1.00 0.00 C ATOM 635 O LYS A 40 -24.746 4.930 8.623 1.00 0.00 O ATOM 636 CB LYS A 40 -23.473 6.223 6.108 1.00 0.00 C ATOM 637 CG LYS A 40 -24.111 5.529 4.913 1.00 0.00 C ATOM 638 CD LYS A 40 -24.862 6.521 4.041 1.00 0.00 C ATOM 639 CE LYS A 40 -23.947 7.549 3.388 1.00 0.00 C ATOM 640 NZ LYS A 40 -24.711 8.607 2.701 1.00 0.00 N ATOM 0 H LYS A 40 -21.786 4.350 5.643 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.448 5.916 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.221 6.862 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.678 6.876 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.341 5.032 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.795 4.755 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.402 5.978 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.607 7.038 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -23.306 7.998 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -23.293 7.050 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -24.052 9.287 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.304 8.182 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -25.316 9.100 3.388 1.00 0.00 H new ATOM 654 N GLN A 41 -24.068 3.211 7.384 1.00 0.00 N ATOM 655 CA GLN A 41 -25.086 2.335 7.864 1.00 0.00 C ATOM 656 C GLN A 41 -24.672 1.671 9.185 1.00 0.00 C ATOM 657 O GLN A 41 -25.458 1.584 10.110 1.00 0.00 O ATOM 658 CB GLN A 41 -25.394 1.302 6.790 1.00 0.00 C ATOM 659 CG GLN A 41 -26.507 0.368 7.153 1.00 0.00 C ATOM 660 CD GLN A 41 -26.864 -0.567 6.025 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.701 -0.254 5.189 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.257 -1.714 5.996 1.00 0.00 N ATOM 0 H GLN A 41 -23.427 2.788 6.712 1.00 0.00 H new ATOM 0 HA GLN A 41 -25.988 2.909 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.652 1.818 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.494 0.720 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.218 -0.215 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.387 0.947 7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -25.564 -1.943 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -26.473 -2.387 5.260 1.00 0.00 H new ATOM 671 N ASP A 42 -23.426 1.242 9.260 1.00 0.00 N ATOM 672 CA ASP A 42 -22.906 0.527 10.446 1.00 0.00 C ATOM 673 C ASP A 42 -22.281 1.516 11.445 1.00 0.00 C ATOM 674 O ASP A 42 -22.181 1.241 12.646 1.00 0.00 O ATOM 675 CB ASP A 42 -21.877 -0.532 10.001 1.00 0.00 C ATOM 676 CG ASP A 42 -21.414 -1.458 11.117 1.00 0.00 C ATOM 677 OD1 ASP A 42 -22.096 -2.460 11.394 1.00 0.00 O ATOM 678 OD2 ASP A 42 -20.348 -1.236 11.691 1.00 0.00 O ATOM 0 H ASP A 42 -22.739 1.370 8.517 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.731 0.024 10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.312 -1.133 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.008 -0.025 9.581 1.00 0.00 H new ATOM 683 N ASN A 43 -21.881 2.681 10.920 1.00 0.00 N ATOM 684 CA ASN A 43 -21.308 3.810 11.689 1.00 0.00 C ATOM 685 C ASN A 43 -19.889 3.561 12.169 1.00 0.00 C ATOM 686 O ASN A 43 -19.407 4.219 13.100 1.00 0.00 O ATOM 687 CB ASN A 43 -22.219 4.286 12.831 1.00 0.00 C ATOM 688 CG ASN A 43 -23.465 4.993 12.341 1.00 0.00 C ATOM 689 OD1 ASN A 43 -23.460 6.209 12.115 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.543 4.272 12.205 1.00 0.00 N ATOM 0 H ASN A 43 -21.946 2.877 9.921 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.248 4.628 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.510 3.428 13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.658 4.959 13.479 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.414 4.709 11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.515 3.271 12.399 1.00 0.00 H new ATOM 697 N THR A 44 -19.208 2.667 11.514 1.00 0.00 N ATOM 698 CA THR A 44 -17.846 2.369 11.829 1.00 0.00 C ATOM 699 C THR A 44 -16.895 2.961 10.816 1.00 0.00 C ATOM 700 O THR A 44 -17.247 3.148 9.648 1.00 0.00 O ATOM 701 CB THR A 44 -17.641 0.872 11.867 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.443 0.262 10.843 1.00 0.00 O ATOM 703 CG2 THR A 44 -17.964 0.321 13.233 1.00 0.00 C ATOM 0 H THR A 44 -19.587 2.121 10.740 1.00 0.00 H new ATOM 0 HA THR A 44 -17.635 2.808 12.804 1.00 0.00 H new ATOM 0 HB THR A 44 -16.594 0.641 11.673 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.315 0.014 11.215 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.809 -0.758 13.236 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.313 0.783 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.004 0.539 13.477 1.00 0.00 H new ATOM 711 N THR A 45 -15.711 3.277 11.253 1.00 0.00 N ATOM 712 CA THR A 45 -14.706 3.734 10.356 1.00 0.00 C ATOM 713 C THR A 45 -13.820 2.536 10.023 1.00 0.00 C ATOM 714 O THR A 45 -13.576 1.672 10.882 1.00 0.00 O ATOM 715 CB THR A 45 -13.858 4.828 10.983 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.719 5.694 11.740 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.183 5.652 9.890 1.00 0.00 C ATOM 0 H THR A 45 -15.423 3.224 12.230 1.00 0.00 H new ATOM 0 HA THR A 45 -15.173 4.151 9.464 1.00 0.00 H new ATOM 0 HB THR A 45 -13.098 4.379 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.186 6.405 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.577 6.434 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.546 5.005 9.287 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.943 6.106 9.255 1.00 0.00 H new ATOM 725 N GLN A 46 -13.359 2.477 8.833 1.00 0.00 N ATOM 726 CA GLN A 46 -12.601 1.364 8.361 1.00 0.00 C ATOM 727 C GLN A 46 -11.510 1.897 7.449 1.00 0.00 C ATOM 728 O GLN A 46 -11.733 2.859 6.740 1.00 0.00 O ATOM 729 CB GLN A 46 -13.542 0.462 7.554 1.00 0.00 C ATOM 730 CG GLN A 46 -13.053 -0.954 7.342 1.00 0.00 C ATOM 731 CD GLN A 46 -12.943 -1.712 8.643 1.00 0.00 C ATOM 732 OE1 GLN A 46 -11.903 -1.707 9.298 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.003 -2.353 9.040 1.00 0.00 N ATOM 0 H GLN A 46 -13.496 3.211 8.138 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.160 0.803 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.506 0.424 8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.712 0.920 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.736 -1.478 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.080 -0.932 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.851 -2.337 8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.986 -2.871 9.918 1.00 0.00 H new ATOM 742 N LEU A 47 -10.355 1.310 7.496 1.00 0.00 N ATOM 743 CA LEU A 47 -9.261 1.693 6.615 1.00 0.00 C ATOM 744 C LEU A 47 -8.874 0.463 5.834 1.00 0.00 C ATOM 745 O LEU A 47 -8.239 -0.449 6.364 1.00 0.00 O ATOM 746 CB LEU A 47 -8.056 2.243 7.412 1.00 0.00 C ATOM 747 CG LEU A 47 -6.838 2.742 6.591 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.149 4.004 5.792 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.644 2.976 7.489 1.00 0.00 C ATOM 0 H LEU A 47 -10.129 0.552 8.140 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.577 2.495 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.408 3.068 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.711 1.461 8.088 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.600 1.954 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.263 4.310 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.963 3.802 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.444 4.802 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.802 3.325 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.894 3.727 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.374 2.044 7.986 1.00 0.00 H new ATOM 761 N VAL A 48 -9.297 0.413 4.612 1.00 0.00 N ATOM 762 CA VAL A 48 -9.111 -0.758 3.767 1.00 0.00 C ATOM 763 C VAL A 48 -8.697 -0.357 2.391 1.00 0.00 C ATOM 764 O VAL A 48 -8.847 0.778 2.008 1.00 0.00 O ATOM 765 CB VAL A 48 -10.384 -1.637 3.683 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.543 -2.475 4.944 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.621 -0.764 3.457 1.00 0.00 C ATOM 0 H VAL A 48 -9.787 1.181 4.154 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.323 -1.351 4.232 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.279 -2.314 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.443 -3.085 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.675 -3.123 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.625 -1.818 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.507 -1.396 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.728 -0.063 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.510 -0.210 2.525 1.00 0.00 H new ATOM 777 N GLN A 49 -8.205 -1.286 1.641 1.00 0.00 N ATOM 778 CA GLN A 49 -7.691 -0.964 0.344 1.00 0.00 C ATOM 779 C GLN A 49 -8.730 -0.904 -0.762 1.00 0.00 C ATOM 780 O GLN A 49 -9.861 -1.346 -0.615 1.00 0.00 O ATOM 781 CB GLN A 49 -6.472 -1.807 -0.081 1.00 0.00 C ATOM 782 CG GLN A 49 -6.625 -3.333 -0.083 1.00 0.00 C ATOM 783 CD GLN A 49 -6.661 -3.949 1.307 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.090 -3.414 2.253 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.289 -5.080 1.429 1.00 0.00 N ATOM 0 H GLN A 49 -8.146 -2.271 1.899 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.338 0.058 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.185 -1.498 -1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.643 -1.554 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.542 -3.596 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.798 -3.771 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.753 -5.496 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.318 -5.552 2.333 1.00 0.00 H new ATOM 794 N ASP A 50 -8.267 -0.365 -1.877 1.00 0.00 N ATOM 795 CA ASP A 50 -8.979 -0.147 -3.172 1.00 0.00 C ATOM 796 C ASP A 50 -9.789 -1.372 -3.669 1.00 0.00 C ATOM 797 O ASP A 50 -10.727 -1.241 -4.439 1.00 0.00 O ATOM 798 CB ASP A 50 -7.903 0.237 -4.211 1.00 0.00 C ATOM 799 CG ASP A 50 -8.394 0.362 -5.641 1.00 0.00 C ATOM 800 OD1 ASP A 50 -8.809 1.449 -6.043 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.295 -0.624 -6.402 1.00 0.00 O ATOM 0 H ASP A 50 -7.304 -0.033 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.722 0.637 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.457 1.186 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.110 -0.510 -4.181 1.00 0.00 H new ATOM 806 N ASP A 51 -9.434 -2.536 -3.188 1.00 0.00 N ATOM 807 CA ASP A 51 -10.072 -3.800 -3.602 1.00 0.00 C ATOM 808 C ASP A 51 -11.297 -4.096 -2.723 1.00 0.00 C ATOM 809 O ASP A 51 -12.237 -4.788 -3.121 1.00 0.00 O ATOM 810 CB ASP A 51 -9.043 -4.940 -3.497 1.00 0.00 C ATOM 811 CG ASP A 51 -9.573 -6.306 -3.907 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.675 -6.577 -5.133 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.851 -7.150 -3.016 1.00 0.00 O ATOM 0 H ASP A 51 -8.695 -2.655 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.412 -3.714 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.183 -4.695 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.685 -4.996 -2.469 1.00 0.00 H new ATOM 818 N GLN A 52 -11.288 -3.513 -1.545 1.00 0.00 N ATOM 819 CA GLN A 52 -12.331 -3.698 -0.540 1.00 0.00 C ATOM 820 C GLN A 52 -13.409 -2.634 -0.710 1.00 0.00 C ATOM 821 O GLN A 52 -14.534 -2.761 -0.214 1.00 0.00 O ATOM 822 CB GLN A 52 -11.704 -3.528 0.837 1.00 0.00 C ATOM 823 CG GLN A 52 -10.622 -4.537 1.165 1.00 0.00 C ATOM 824 CD GLN A 52 -11.154 -5.931 1.388 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.302 -6.044 2.015 1.00 0.00 O flip ATOM 826 NE2 GLN A 52 -10.485 -6.912 1.069 1.00 0.00 N flip ATOM 0 H GLN A 52 -10.544 -2.883 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.774 -4.688 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.282 -2.526 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.489 -3.598 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.896 -4.558 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.090 -4.211 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.597 -6.788 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.818 -7.850 1.291 1.00 0.00 H new ATOM 835 N VAL A 53 -13.033 -1.588 -1.369 1.00 0.00 N ATOM 836 CA VAL A 53 -13.884 -0.437 -1.621 1.00 0.00 C ATOM 837 C VAL A 53 -14.366 -0.409 -3.067 1.00 0.00 C ATOM 838 O VAL A 53 -13.575 -0.503 -3.998 1.00 0.00 O ATOM 839 CB VAL A 53 -13.136 0.883 -1.280 1.00 0.00 C ATOM 840 CG1 VAL A 53 -13.942 2.106 -1.682 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.849 0.931 0.199 1.00 0.00 C ATOM 0 H VAL A 53 -12.098 -1.493 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.757 -0.525 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.204 0.896 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.386 3.008 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.125 2.084 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.894 2.105 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.325 1.856 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.787 0.892 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.228 0.080 0.477 1.00 0.00 H new ATOM 851 N LYS A 54 -15.656 -0.306 -3.239 1.00 0.00 N ATOM 852 CA LYS A 54 -16.264 -0.237 -4.544 1.00 0.00 C ATOM 853 C LYS A 54 -16.838 1.156 -4.765 1.00 0.00 C ATOM 854 O LYS A 54 -17.803 1.551 -4.094 1.00 0.00 O ATOM 855 CB LYS A 54 -17.396 -1.271 -4.654 1.00 0.00 C ATOM 856 CG LYS A 54 -16.986 -2.698 -4.319 1.00 0.00 C ATOM 857 CD LYS A 54 -15.874 -3.183 -5.225 1.00 0.00 C ATOM 858 CE LYS A 54 -15.465 -4.604 -4.885 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.446 -5.121 -5.815 1.00 0.00 N ATOM 0 H LYS A 54 -16.324 -0.267 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.507 -0.450 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.207 -0.974 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.792 -1.250 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.659 -2.749 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.849 -3.358 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.202 -3.135 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.012 -2.522 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.077 -4.636 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.342 -5.250 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.194 -6.094 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.825 -5.115 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.599 -4.520 -5.771 1.00 0.00 H new ATOM 873 N GLY A 55 -16.230 1.910 -5.642 1.00 0.00 N ATOM 874 CA GLY A 55 -16.735 3.215 -5.974 1.00 0.00 C ATOM 875 C GLY A 55 -15.631 4.228 -6.179 1.00 0.00 C ATOM 876 O GLY A 55 -14.472 3.848 -6.356 1.00 0.00 O ATOM 0 H GLY A 55 -15.382 1.641 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.336 3.149 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.396 3.559 -5.178 1.00 0.00 H new ATOM 880 N PRO A 56 -15.956 5.528 -6.169 1.00 0.00 N ATOM 881 CA PRO A 56 -14.977 6.590 -6.380 1.00 0.00 C ATOM 882 C PRO A 56 -14.117 6.858 -5.160 1.00 0.00 C ATOM 883 O PRO A 56 -14.607 6.969 -4.041 1.00 0.00 O ATOM 884 CB PRO A 56 -15.810 7.835 -6.672 1.00 0.00 C ATOM 885 CG PRO A 56 -17.245 7.407 -6.657 1.00 0.00 C ATOM 886 CD PRO A 56 -17.301 6.074 -5.952 1.00 0.00 C ATOM 0 HA PRO A 56 -14.291 6.310 -7.180 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.629 8.606 -5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.543 8.261 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.861 8.143 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.633 7.323 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.524 6.188 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.071 5.427 -6.372 1.00 0.00 H new ATOM 894 N LEU A 57 -12.856 7.013 -5.389 1.00 0.00 N ATOM 895 CA LEU A 57 -11.926 7.298 -4.329 1.00 0.00 C ATOM 896 C LEU A 57 -11.771 8.785 -4.231 1.00 0.00 C ATOM 897 O LEU A 57 -10.904 9.381 -4.866 1.00 0.00 O ATOM 898 CB LEU A 57 -10.567 6.631 -4.591 1.00 0.00 C ATOM 899 CG LEU A 57 -10.596 5.125 -4.868 1.00 0.00 C ATOM 900 CD1 LEU A 57 -9.189 4.571 -4.965 1.00 0.00 C ATOM 901 CD2 LEU A 57 -11.404 4.389 -3.810 1.00 0.00 C ATOM 0 H LEU A 57 -12.433 6.947 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.307 6.896 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.100 7.127 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.926 6.808 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.088 4.967 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.233 3.500 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.657 5.068 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.663 4.746 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.408 3.322 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.956 4.554 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.428 4.763 -3.809 1.00 0.00 H new ATOM 913 N ARG A 58 -12.687 9.385 -3.542 1.00 0.00 N ATOM 914 CA ARG A 58 -12.676 10.801 -3.327 1.00 0.00 C ATOM 915 C ARG A 58 -13.107 11.060 -1.910 1.00 0.00 C ATOM 916 O ARG A 58 -14.099 10.488 -1.470 1.00 0.00 O ATOM 917 CB ARG A 58 -13.618 11.499 -4.320 1.00 0.00 C ATOM 918 CG ARG A 58 -13.518 13.010 -4.326 1.00 0.00 C ATOM 919 CD ARG A 58 -12.179 13.461 -4.881 1.00 0.00 C ATOM 920 NE ARG A 58 -11.995 14.905 -4.787 1.00 0.00 N ATOM 921 CZ ARG A 58 -10.848 15.542 -5.041 1.00 0.00 C ATOM 922 NH1 ARG A 58 -9.771 14.863 -5.439 1.00 0.00 N ATOM 923 NH2 ARG A 58 -10.778 16.856 -4.903 1.00 0.00 N ATOM 0 H ARG A 58 -13.474 8.903 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.675 11.201 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.406 11.130 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.645 11.217 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.325 13.430 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.643 13.391 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.377 12.959 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.099 13.155 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.798 15.468 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.819 13.850 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.899 15.356 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.599 17.382 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.903 17.343 -5.097 1.00 0.00 H new ATOM 937 N VAL A 59 -12.370 11.871 -1.179 1.00 0.00 N ATOM 938 CA VAL A 59 -12.754 12.188 0.184 1.00 0.00 C ATOM 939 C VAL A 59 -14.082 12.927 0.162 1.00 0.00 C ATOM 940 O VAL A 59 -14.210 13.978 -0.471 1.00 0.00 O ATOM 941 CB VAL A 59 -11.679 13.018 0.942 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.115 13.280 2.381 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.350 12.283 0.942 1.00 0.00 C ATOM 0 H VAL A 59 -11.511 12.319 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.850 11.250 0.730 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.564 13.972 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.349 13.862 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.053 13.835 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.255 12.330 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.607 12.875 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.468 11.318 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.020 12.127 -0.085 1.00 0.00 H new ATOM 953 N GLY A 60 -15.059 12.347 0.802 1.00 0.00 N ATOM 954 CA GLY A 60 -16.377 12.895 0.808 1.00 0.00 C ATOM 955 C GLY A 60 -17.293 12.207 -0.184 1.00 0.00 C ATOM 956 O GLY A 60 -18.444 12.603 -0.337 1.00 0.00 O ATOM 0 H GLY A 60 -14.959 11.482 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.799 12.808 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.326 13.959 0.575 1.00 0.00 H new ATOM 960 N ALA A 61 -16.803 11.175 -0.854 1.00 0.00 N ATOM 961 CA ALA A 61 -17.620 10.485 -1.846 1.00 0.00 C ATOM 962 C ALA A 61 -18.252 9.251 -1.253 1.00 0.00 C ATOM 963 O ALA A 61 -17.878 8.820 -0.158 1.00 0.00 O ATOM 964 CB ALA A 61 -16.831 10.155 -3.104 1.00 0.00 C ATOM 0 H ALA A 61 -15.862 10.801 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.418 11.165 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.478 9.642 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.458 11.076 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.990 9.510 -2.848 1.00 0.00 H new ATOM 970 N ILE A 62 -19.182 8.678 -1.972 1.00 0.00 N ATOM 971 CA ILE A 62 -19.926 7.535 -1.510 1.00 0.00 C ATOM 972 C ILE A 62 -19.477 6.278 -2.224 1.00 0.00 C ATOM 973 O ILE A 62 -19.409 6.238 -3.457 1.00 0.00 O ATOM 974 CB ILE A 62 -21.448 7.749 -1.720 1.00 0.00 C ATOM 975 CG1 ILE A 62 -21.925 8.996 -0.964 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.249 6.525 -1.305 1.00 0.00 C ATOM 977 CD1 ILE A 62 -21.642 8.963 0.522 1.00 0.00 C ATOM 0 H ILE A 62 -19.447 8.995 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.733 7.419 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.618 7.903 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.445 9.875 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -22.998 9.112 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.310 6.713 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -21.937 5.667 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.074 6.316 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.010 9.880 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.144 8.105 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.568 8.880 0.686 1.00 0.00 H new ATOM 989 N VAL A 63 -19.164 5.275 -1.448 1.00 0.00 N ATOM 990 CA VAL A 63 -18.725 3.992 -1.948 1.00 0.00 C ATOM 991 C VAL A 63 -19.384 2.895 -1.173 1.00 0.00 C ATOM 992 O VAL A 63 -20.056 3.143 -0.186 1.00 0.00 O ATOM 993 CB VAL A 63 -17.197 3.801 -1.792 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.446 4.740 -2.678 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.767 3.982 -0.336 1.00 0.00 C ATOM 0 H VAL A 63 -19.207 5.324 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.991 3.958 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.959 2.781 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.375 4.584 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.717 4.554 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.698 5.768 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.689 3.842 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.029 4.986 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.276 3.247 0.288 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.189 1.699 -1.617 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.619 0.549 -0.904 1.00 0.00 C ATOM 1007 C GLU A 64 -18.388 -0.239 -0.538 1.00 0.00 C ATOM 1008 O GLU A 64 -17.538 -0.472 -1.379 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.552 -0.323 -1.737 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.877 0.333 -2.145 1.00 0.00 C ATOM 1011 CD GLU A 64 -21.761 1.323 -3.283 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -21.364 0.921 -4.391 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -22.115 2.496 -3.120 1.00 0.00 O ATOM 0 H GLU A 64 -18.719 1.492 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.176 0.861 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.025 -0.630 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.773 -1.230 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.582 -0.448 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -22.298 0.842 -1.278 1.00 0.00 H new ATOM 1020 N THR A 65 -18.257 -0.613 0.680 1.00 0.00 N ATOM 1021 CA THR A 65 -17.107 -1.359 1.076 1.00 0.00 C ATOM 1022 C THR A 65 -17.538 -2.599 1.809 1.00 0.00 C ATOM 1023 O THR A 65 -18.677 -2.676 2.297 1.00 0.00 O ATOM 1024 CB THR A 65 -16.118 -0.522 1.933 1.00 0.00 C ATOM 1025 OG1 THR A 65 -14.900 -1.254 2.154 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.732 -0.136 3.267 1.00 0.00 C ATOM 0 H THR A 65 -18.927 -0.419 1.424 1.00 0.00 H new ATOM 0 HA THR A 65 -16.566 -1.640 0.172 1.00 0.00 H new ATOM 0 HB THR A 65 -15.895 0.391 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.696 -1.795 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.014 0.449 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.630 0.458 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.993 -1.037 3.822 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.670 -3.573 1.848 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.989 -4.822 2.514 1.00 0.00 C ATOM 1036 C ARG A 66 -17.054 -4.634 4.032 1.00 0.00 C ATOM 1037 O ARG A 66 -16.100 -4.160 4.663 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.995 -5.925 2.161 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.354 -7.258 2.795 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.343 -8.331 2.470 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.638 -9.594 3.163 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.002 -10.758 2.940 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -14.092 -10.852 1.983 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -15.301 -11.836 3.655 1.00 0.00 N ATOM 0 H ARG A 66 -15.740 -3.534 1.431 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.971 -5.131 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.955 -6.041 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.998 -5.629 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.421 -7.139 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.339 -7.571 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.330 -8.503 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.347 -7.988 2.750 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.379 -9.587 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.869 -10.039 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.614 -11.738 1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.017 -11.785 4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.814 -12.715 3.480 1.00 0.00 H new ATOM 1058 N THR A 67 -18.163 -4.987 4.603 1.00 0.00 N ATOM 1059 CA THR A 67 -18.327 -4.904 6.011 1.00 0.00 C ATOM 1060 C THR A 67 -18.001 -6.279 6.622 1.00 0.00 C ATOM 1061 O THR A 67 -17.878 -7.278 5.886 1.00 0.00 O ATOM 1062 CB THR A 67 -19.761 -4.435 6.386 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.849 -4.137 7.789 1.00 0.00 O ATOM 1064 CG2 THR A 67 -20.757 -5.503 6.051 1.00 0.00 C ATOM 0 H THR A 67 -18.978 -5.340 4.101 1.00 0.00 H new ATOM 0 HA THR A 67 -17.644 -4.158 6.417 1.00 0.00 H new ATOM 0 HB THR A 67 -19.980 -3.533 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.758 -3.842 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 67 -21.758 -5.164 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 67 -20.718 -5.714 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.520 -6.409 6.609 1.00 0.00 H new ATOM 1072 N SER A 68 -17.900 -6.335 7.928 1.00 0.00 N ATOM 1073 CA SER A 68 -17.533 -7.537 8.657 1.00 0.00 C ATOM 1074 C SER A 68 -18.562 -8.659 8.494 1.00 0.00 C ATOM 1075 O SER A 68 -18.258 -9.827 8.697 1.00 0.00 O ATOM 1076 CB SER A 68 -17.347 -7.165 10.120 1.00 0.00 C ATOM 1077 OG SER A 68 -18.455 -6.383 10.574 1.00 0.00 O ATOM 0 H SER A 68 -18.073 -5.531 8.532 1.00 0.00 H new ATOM 0 HA SER A 68 -16.603 -7.930 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.258 -8.068 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.421 -6.604 10.246 1.00 0.00 H new ATOM 0 HG SER A 68 -18.326 -6.150 11.517 1.00 0.00 H new ATOM 1083 N ASP A 69 -19.771 -8.286 8.113 1.00 0.00 N ATOM 1084 CA ASP A 69 -20.858 -9.244 7.902 1.00 0.00 C ATOM 1085 C ASP A 69 -20.585 -10.101 6.662 1.00 0.00 C ATOM 1086 O ASP A 69 -20.996 -11.255 6.585 1.00 0.00 O ATOM 1087 CB ASP A 69 -22.188 -8.495 7.748 1.00 0.00 C ATOM 1088 CG ASP A 69 -23.394 -9.407 7.621 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -23.988 -9.773 8.667 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -23.796 -9.729 6.489 1.00 0.00 O ATOM 0 H ASP A 69 -20.033 -7.316 7.940 1.00 0.00 H new ATOM 0 HA ASP A 69 -20.919 -9.903 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -22.328 -7.841 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.134 -7.855 6.867 1.00 0.00 H new ATOM 1095 N GLY A 70 -19.807 -9.551 5.741 1.00 0.00 N ATOM 1096 CA GLY A 70 -19.490 -10.248 4.511 1.00 0.00 C ATOM 1097 C GLY A 70 -20.051 -9.533 3.304 1.00 0.00 C ATOM 1098 O GLY A 70 -19.557 -9.689 2.183 1.00 0.00 O ATOM 0 H GLY A 70 -19.386 -8.626 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.408 -10.337 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.890 -11.261 4.553 1.00 0.00 H new ATOM 1102 N SER A 71 -21.055 -8.731 3.531 1.00 0.00 N ATOM 1103 CA SER A 71 -21.675 -7.965 2.478 1.00 0.00 C ATOM 1104 C SER A 71 -20.948 -6.630 2.281 1.00 0.00 C ATOM 1105 O SER A 71 -20.070 -6.262 3.073 1.00 0.00 O ATOM 1106 CB SER A 71 -23.128 -7.704 2.842 1.00 0.00 C ATOM 1107 OG SER A 71 -23.806 -8.916 3.113 1.00 0.00 O ATOM 0 H SER A 71 -21.469 -8.588 4.452 1.00 0.00 H new ATOM 0 HA SER A 71 -21.618 -8.531 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.177 -7.052 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.624 -7.180 2.024 1.00 0.00 H new ATOM 0 HG SER A 71 -24.738 -8.724 3.347 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.288 -5.940 1.230 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.779 -4.616 0.979 1.00 0.00 C ATOM 1115 C PHE A 72 -21.841 -3.614 1.386 1.00 0.00 C ATOM 1116 O PHE A 72 -23.033 -3.838 1.145 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.391 -4.433 -0.498 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.169 -5.209 -0.933 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.232 -6.572 -1.177 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -17.959 -4.563 -1.107 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.113 -7.271 -1.584 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -16.837 -5.255 -1.511 1.00 0.00 C ATOM 1123 CZ PHE A 72 -16.914 -6.610 -1.751 1.00 0.00 C ATOM 0 H PHE A 72 -21.931 -6.281 0.516 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.873 -4.459 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.234 -4.732 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.217 -3.373 -0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.168 -7.094 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.892 -3.501 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.176 -8.333 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.899 -4.736 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.037 -7.153 -2.069 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.435 -2.555 2.045 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.363 -1.552 2.531 1.00 0.00 C ATOM 1135 C GLN A 73 -21.867 -0.161 2.193 1.00 0.00 C ATOM 1136 O GLN A 73 -20.656 0.046 2.006 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.560 -1.681 4.039 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.130 -3.015 4.476 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.256 -3.136 5.973 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -22.494 -2.535 6.727 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -24.185 -3.933 6.412 1.00 0.00 N ATOM 0 H GLN A 73 -20.457 -2.361 2.261 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.322 -1.715 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.601 -1.528 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -23.224 -0.886 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.111 -3.152 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.492 -3.817 4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.798 -4.414 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.301 -4.077 7.415 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.797 0.769 2.123 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.532 2.149 1.767 1.00 0.00 C ATOM 1152 C GLU A 74 -21.733 2.893 2.860 1.00 0.00 C ATOM 1153 O GLU A 74 -22.085 2.885 4.062 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.858 2.851 1.433 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.728 4.292 0.986 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.029 4.850 0.461 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.851 5.357 1.251 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.272 4.769 -0.757 1.00 0.00 O ATOM 0 H GLU A 74 -23.781 0.583 2.316 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.896 2.165 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.362 2.287 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.501 2.816 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.386 4.900 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.966 4.362 0.210 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.666 3.517 2.428 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.754 4.243 3.274 1.00 0.00 C ATOM 1167 C ALA A 75 -19.315 5.531 2.591 1.00 0.00 C ATOM 1168 O ALA A 75 -19.603 5.745 1.410 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.530 3.395 3.561 1.00 0.00 C ATOM 0 H ALA A 75 -20.400 3.534 1.443 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.264 4.483 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.845 3.950 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.833 2.477 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.031 3.147 2.624 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.626 6.374 3.331 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.095 7.644 2.776 1.00 0.00 C ATOM 1177 C ILE A 76 -16.586 7.638 2.940 1.00 0.00 C ATOM 1178 O ILE A 76 -16.092 7.154 3.959 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.605 8.958 3.503 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.129 8.990 3.749 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.190 10.212 2.716 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.594 8.184 4.944 1.00 0.00 C ATOM 0 H ILE A 76 -18.410 6.222 4.316 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.441 7.678 1.743 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.127 8.949 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.440 10.026 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.635 8.618 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.550 11.102 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.103 10.251 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.622 10.173 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.677 8.265 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.319 7.138 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.121 8.568 5.848 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.857 8.154 1.963 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.404 8.262 2.080 1.00 0.00 C ATOM 1196 C ILE A 77 -14.070 9.423 2.990 1.00 0.00 C ATOM 1197 O ILE A 77 -14.473 10.547 2.734 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.641 8.482 0.719 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.841 7.344 -0.274 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.149 8.685 0.947 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.186 7.301 -0.899 1.00 0.00 C ATOM 0 H ILE A 77 -16.240 8.503 1.085 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.071 7.302 2.474 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.077 9.383 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.091 7.429 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.661 6.398 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.651 8.834 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.993 9.561 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.733 7.806 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.239 6.460 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.944 7.182 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.365 8.229 -1.442 1.00 0.00 H new ATOM 1213 N SER A 78 -13.360 9.152 4.033 1.00 0.00 N ATOM 1214 CA SER A 78 -12.964 10.163 4.959 1.00 0.00 C ATOM 1215 C SER A 78 -11.453 10.458 4.772 1.00 0.00 C ATOM 1216 O SER A 78 -10.966 11.519 5.145 1.00 0.00 O ATOM 1217 CB SER A 78 -13.279 9.682 6.390 1.00 0.00 C ATOM 1218 OG SER A 78 -13.205 10.738 7.337 1.00 0.00 O ATOM 0 H SER A 78 -13.035 8.215 4.270 1.00 0.00 H new ATOM 0 HA SER A 78 -13.513 11.088 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.277 9.244 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.579 8.895 6.670 1.00 0.00 H new ATOM 0 HG SER A 78 -13.413 10.392 8.230 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.741 9.527 4.140 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.301 9.653 3.892 1.00 0.00 C ATOM 1226 C LYS A 79 -8.905 8.643 2.827 1.00 0.00 C ATOM 1227 O LYS A 79 -9.546 7.614 2.698 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.482 9.351 5.181 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.984 9.620 5.053 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.235 9.241 6.317 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.745 9.517 6.177 1.00 0.00 C ATOM 1232 NZ LYS A 79 -3.987 9.106 7.371 1.00 0.00 N ATOM 0 H LYS A 79 -11.145 8.661 3.783 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.090 10.673 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.879 9.953 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.629 8.306 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.584 9.056 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.821 10.676 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.634 9.803 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.393 8.185 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.360 8.988 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.590 10.581 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.978 9.313 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.335 9.629 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.112 8.086 7.527 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.904 8.953 2.053 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.324 8.011 1.123 1.00 0.00 C ATOM 1248 C LEU A 80 -5.803 8.069 1.171 1.00 0.00 C ATOM 1249 O LEU A 80 -5.185 9.115 0.938 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.929 8.050 -0.319 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.408 9.394 -0.907 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.323 10.459 -0.917 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.905 9.173 -2.313 1.00 0.00 C ATOM 0 H LEU A 80 -7.460 9.871 2.045 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.617 7.018 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.179 7.645 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.777 7.366 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.208 9.759 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.721 11.380 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.987 10.645 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.482 10.116 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.244 10.120 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.097 8.774 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.734 8.465 -2.299 1.00 0.00 H new ATOM 1265 N THR A 81 -5.230 6.974 1.558 1.00 0.00 N ATOM 1266 CA THR A 81 -3.816 6.833 1.772 1.00 0.00 C ATOM 1267 C THR A 81 -3.190 5.895 0.728 1.00 0.00 C ATOM 1268 O THR A 81 -3.381 4.677 0.784 1.00 0.00 O ATOM 1269 CB THR A 81 -3.625 6.268 3.197 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.241 7.164 4.125 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.169 6.083 3.574 1.00 0.00 C ATOM 0 H THR A 81 -5.751 6.117 1.742 1.00 0.00 H new ATOM 0 HA THR A 81 -3.318 7.797 1.669 1.00 0.00 H new ATOM 0 HB THR A 81 -4.086 5.281 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.130 6.819 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.103 5.684 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.698 5.388 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.657 7.044 3.529 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.485 6.463 -0.232 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.819 5.681 -1.280 1.00 0.00 C ATOM 1281 C ASP A 82 -0.703 4.877 -0.651 1.00 0.00 C ATOM 1282 O ASP A 82 0.304 5.446 -0.202 1.00 0.00 O ATOM 1283 CB ASP A 82 -1.203 6.575 -2.376 1.00 0.00 C ATOM 1284 CG ASP A 82 -2.177 7.460 -3.124 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -2.748 7.024 -4.140 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -2.333 8.648 -2.733 1.00 0.00 O ATOM 0 H ASP A 82 -2.353 7.471 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.571 5.042 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.443 7.208 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.694 5.936 -3.097 1.00 0.00 H new ATOM 1291 N ALA A 83 -0.874 3.578 -0.582 1.00 0.00 N ATOM 1292 CA ALA A 83 0.112 2.739 0.047 1.00 0.00 C ATOM 1293 C ALA A 83 1.080 2.198 -0.986 1.00 0.00 C ATOM 1294 O ALA A 83 2.200 2.693 -1.104 1.00 0.00 O ATOM 1295 CB ALA A 83 -0.555 1.607 0.833 1.00 0.00 C ATOM 0 H ALA A 83 -1.685 3.083 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 83 0.678 3.342 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.211 0.987 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.199 2.030 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.153 0.997 0.156 1.00 0.00 H new ATOM 1301 N SER A 84 0.592 1.253 -1.777 1.00 0.00 N ATOM 1302 CA SER A 84 1.350 0.564 -2.807 1.00 0.00 C ATOM 1303 C SER A 84 2.602 -0.160 -2.320 1.00 0.00 C ATOM 1304 O SER A 84 3.581 0.429 -1.847 1.00 0.00 O ATOM 1305 CB SER A 84 1.592 1.436 -4.009 1.00 0.00 C ATOM 1306 OG SER A 84 0.342 1.813 -4.556 1.00 0.00 O ATOM 0 H SER A 84 -0.375 0.936 -1.716 1.00 0.00 H new ATOM 0 HA SER A 84 0.703 -0.252 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.162 2.320 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.183 0.900 -4.752 1.00 0.00 H new ATOM 0 HG SER A 84 0.269 2.790 -4.561 1.00 0.00 H new ATOM 1312 N TRP A 85 2.555 -1.446 -2.456 1.00 0.00 N ATOM 1313 CA TRP A 85 3.640 -2.289 -2.040 1.00 0.00 C ATOM 1314 C TRP A 85 4.432 -2.748 -3.222 1.00 0.00 C ATOM 1315 O TRP A 85 3.964 -3.555 -4.038 1.00 0.00 O ATOM 1316 CB TRP A 85 3.162 -3.472 -1.194 1.00 0.00 C ATOM 1317 CG TRP A 85 2.626 -3.042 0.133 1.00 0.00 C ATOM 1318 CD1 TRP A 85 1.327 -2.987 0.520 1.00 0.00 C ATOM 1319 CD2 TRP A 85 3.393 -2.572 1.236 1.00 0.00 C ATOM 1320 NE1 TRP A 85 1.237 -2.504 1.799 1.00 0.00 N ATOM 1321 CE2 TRP A 85 2.493 -2.246 2.264 1.00 0.00 C ATOM 1322 CE3 TRP A 85 4.753 -2.404 1.451 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 2.914 -1.748 3.492 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 5.175 -1.909 2.672 1.00 0.00 C ATOM 1325 CH2 TRP A 85 4.257 -1.588 3.678 1.00 0.00 C ATOM 0 H TRP A 85 1.763 -1.947 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 85 4.292 -1.693 -1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.388 -4.015 -1.737 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.990 -4.165 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.486 -3.281 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 85 0.371 -2.361 2.319 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.468 -2.654 0.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.206 -1.498 4.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.231 -1.768 2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 85 4.618 -1.206 4.621 1.00 0.00 H new ATOM 1336 N TYR A 86 5.600 -2.217 -3.342 1.00 0.00 N ATOM 1337 CA TYR A 86 6.469 -2.549 -4.417 1.00 0.00 C ATOM 1338 C TYR A 86 7.317 -3.715 -3.967 1.00 0.00 C ATOM 1339 O TYR A 86 8.104 -3.601 -3.026 1.00 0.00 O ATOM 1340 CB TYR A 86 7.340 -1.334 -4.793 1.00 0.00 C ATOM 1341 CG TYR A 86 6.538 -0.069 -5.109 1.00 0.00 C ATOM 1342 CD1 TYR A 86 6.067 0.738 -4.081 1.00 0.00 C ATOM 1343 CD2 TYR A 86 6.243 0.316 -6.420 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.333 1.868 -4.337 1.00 0.00 C ATOM 1345 CE2 TYR A 86 5.510 1.454 -6.670 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.057 2.222 -5.628 1.00 0.00 C ATOM 1347 OH TYR A 86 4.320 3.356 -5.881 1.00 0.00 O ATOM 0 H TYR A 86 5.982 -1.533 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 86 5.903 -2.823 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.025 -1.122 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.950 -1.591 -5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.284 0.470 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.594 -0.286 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.974 2.477 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.291 1.742 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 86 4.592 3.738 -6.741 1.00 0.00 H new ATOM 1357 N THR A 87 7.090 -4.847 -4.568 1.00 0.00 N ATOM 1358 CA THR A 87 7.803 -6.017 -4.256 1.00 0.00 C ATOM 1359 C THR A 87 9.024 -6.018 -5.118 1.00 0.00 C ATOM 1360 O THR A 87 8.940 -6.230 -6.338 1.00 0.00 O ATOM 1361 CB THR A 87 6.982 -7.262 -4.578 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.608 -7.034 -4.198 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.529 -8.442 -3.795 1.00 0.00 C ATOM 0 H THR A 87 6.389 -4.968 -5.299 1.00 0.00 H new ATOM 0 HA THR A 87 8.044 -6.034 -3.193 1.00 0.00 H new ATOM 0 HB THR A 87 7.039 -7.474 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.075 -7.830 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.944 -9.333 -4.023 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.570 -8.611 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.466 -8.231 -2.727 1.00 0.00 H new ATOM 1371 N VAL A 88 10.114 -5.732 -4.529 1.00 0.00 N ATOM 1372 CA VAL A 88 11.330 -5.635 -5.247 1.00 0.00 C ATOM 1373 C VAL A 88 12.186 -6.836 -4.971 1.00 0.00 C ATOM 1374 O VAL A 88 12.227 -7.342 -3.846 1.00 0.00 O ATOM 1375 CB VAL A 88 12.091 -4.335 -4.899 1.00 0.00 C ATOM 1376 CG1 VAL A 88 11.339 -3.129 -5.390 1.00 0.00 C ATOM 1377 CG2 VAL A 88 12.289 -4.223 -3.427 1.00 0.00 C ATOM 0 H VAL A 88 10.196 -5.556 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 88 11.094 -5.602 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 88 13.062 -4.376 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.893 -2.226 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.222 -3.189 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.356 -3.097 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.826 -3.302 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.319 -4.209 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.867 -5.076 -3.072 1.00 0.00 H new ATOM 1387 N VAL A 89 12.833 -7.292 -5.989 1.00 0.00 N ATOM 1388 CA VAL A 89 13.692 -8.434 -5.917 1.00 0.00 C ATOM 1389 C VAL A 89 15.133 -7.967 -5.940 1.00 0.00 C ATOM 1390 O VAL A 89 15.537 -7.194 -6.815 1.00 0.00 O ATOM 1391 CB VAL A 89 13.388 -9.484 -7.050 1.00 0.00 C ATOM 1392 CG1 VAL A 89 13.507 -8.895 -8.454 1.00 0.00 C ATOM 1393 CG2 VAL A 89 14.267 -10.718 -6.908 1.00 0.00 C ATOM 0 H VAL A 89 12.781 -6.874 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 89 13.504 -8.958 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 89 12.347 -9.780 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.286 -9.666 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.800 -8.073 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.520 -8.525 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.034 -11.425 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 89 15.315 -10.428 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.082 -11.187 -5.942 1.00 0.00 H new ATOM 1403 N PHE A 90 15.872 -8.385 -4.962 1.00 0.00 N ATOM 1404 CA PHE A 90 17.238 -7.966 -4.795 1.00 0.00 C ATOM 1405 C PHE A 90 18.136 -8.884 -5.595 1.00 0.00 C ATOM 1406 O PHE A 90 17.681 -9.930 -6.059 1.00 0.00 O ATOM 1407 CB PHE A 90 17.608 -8.015 -3.306 1.00 0.00 C ATOM 1408 CG PHE A 90 16.609 -7.307 -2.427 1.00 0.00 C ATOM 1409 CD1 PHE A 90 16.502 -5.938 -2.457 1.00 0.00 C ATOM 1410 CD2 PHE A 90 15.770 -8.022 -1.586 1.00 0.00 C ATOM 1411 CE1 PHE A 90 15.576 -5.283 -1.669 1.00 0.00 C ATOM 1412 CE2 PHE A 90 14.844 -7.379 -0.793 1.00 0.00 C ATOM 1413 CZ PHE A 90 14.744 -6.006 -0.836 1.00 0.00 C ATOM 0 H PHE A 90 15.546 -9.034 -4.246 1.00 0.00 H new ATOM 0 HA PHE A 90 17.364 -6.944 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 90 17.687 -9.056 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 90 18.590 -7.564 -3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 90 17.150 -5.367 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 90 15.843 -9.099 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.502 -4.206 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.199 -7.949 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.018 -5.496 -0.221 1.00 0.00 H new ATOM 1423 N ASP A 91 19.409 -8.522 -5.718 1.00 0.00 N ATOM 1424 CA ASP A 91 20.400 -9.322 -6.479 1.00 0.00 C ATOM 1425 C ASP A 91 20.507 -10.760 -5.952 1.00 0.00 C ATOM 1426 O ASP A 91 20.877 -11.680 -6.690 1.00 0.00 O ATOM 1427 CB ASP A 91 21.795 -8.650 -6.484 1.00 0.00 C ATOM 1428 CG ASP A 91 22.346 -8.378 -5.094 1.00 0.00 C ATOM 1429 OD1 ASP A 91 22.849 -9.308 -4.425 1.00 0.00 O ATOM 1430 OD2 ASP A 91 22.255 -7.226 -4.628 1.00 0.00 O ATOM 0 H ASP A 91 19.794 -7.674 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 91 20.036 -9.366 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 91 22.494 -9.288 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 91 21.734 -7.710 -7.032 1.00 0.00 H new ATOM 1435 N ASP A 92 20.156 -10.947 -4.692 1.00 0.00 N ATOM 1436 CA ASP A 92 20.181 -12.262 -4.046 1.00 0.00 C ATOM 1437 C ASP A 92 19.042 -13.173 -4.553 1.00 0.00 C ATOM 1438 O ASP A 92 19.078 -14.401 -4.387 1.00 0.00 O ATOM 1439 CB ASP A 92 20.088 -12.080 -2.524 1.00 0.00 C ATOM 1440 CG ASP A 92 20.127 -13.374 -1.754 1.00 0.00 C ATOM 1441 OD1 ASP A 92 21.210 -13.990 -1.670 1.00 0.00 O ATOM 1442 OD2 ASP A 92 19.090 -13.777 -1.182 1.00 0.00 O ATOM 0 H ASP A 92 19.844 -10.193 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 92 21.120 -12.753 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.910 -11.446 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 92 19.163 -11.554 -2.286 1.00 0.00 H new ATOM 1447 N GLY A 93 18.046 -12.574 -5.185 1.00 0.00 N ATOM 1448 CA GLY A 93 16.909 -13.333 -5.683 1.00 0.00 C ATOM 1449 C GLY A 93 15.757 -13.320 -4.717 1.00 0.00 C ATOM 1450 O GLY A 93 14.693 -13.889 -4.972 1.00 0.00 O ATOM 0 H GLY A 93 18.001 -11.571 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.586 -12.918 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.214 -14.363 -5.870 1.00 0.00 H new ATOM 1454 N ASP A 94 15.973 -12.680 -3.608 1.00 0.00 N ATOM 1455 CA ASP A 94 14.982 -12.574 -2.555 1.00 0.00 C ATOM 1456 C ASP A 94 14.200 -11.296 -2.784 1.00 0.00 C ATOM 1457 O ASP A 94 14.745 -10.352 -3.362 1.00 0.00 O ATOM 1458 CB ASP A 94 15.699 -12.544 -1.206 1.00 0.00 C ATOM 1459 CG ASP A 94 14.773 -12.576 -0.030 1.00 0.00 C ATOM 1460 OD1 ASP A 94 14.206 -13.651 0.275 1.00 0.00 O ATOM 1461 OD2 ASP A 94 14.611 -11.554 0.631 1.00 0.00 O ATOM 0 H ASP A 94 16.851 -12.207 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 94 14.298 -13.422 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.377 -13.395 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.311 -11.644 -1.150 1.00 0.00 H new ATOM 1466 N GLU A 95 12.950 -11.253 -2.391 1.00 0.00 N ATOM 1467 CA GLU A 95 12.131 -10.101 -2.659 1.00 0.00 C ATOM 1468 C GLU A 95 11.367 -9.659 -1.420 1.00 0.00 C ATOM 1469 O GLU A 95 11.107 -10.464 -0.509 1.00 0.00 O ATOM 1470 CB GLU A 95 11.190 -10.393 -3.830 1.00 0.00 C ATOM 1471 CG GLU A 95 10.181 -11.496 -3.577 1.00 0.00 C ATOM 1472 CD GLU A 95 9.482 -11.910 -4.836 1.00 0.00 C ATOM 1473 OE1 GLU A 95 8.549 -11.238 -5.273 1.00 0.00 O ATOM 1474 OE2 GLU A 95 9.893 -12.927 -5.431 1.00 0.00 O ATOM 0 H GLU A 95 12.480 -12.003 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 95 12.780 -9.271 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.652 -9.479 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.789 -10.661 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.686 -12.358 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.446 -11.156 -2.848 1.00 0.00 H new ATOM 1481 N ARG A 96 11.025 -8.395 -1.376 1.00 0.00 N ATOM 1482 CA ARG A 96 10.312 -7.824 -0.255 1.00 0.00 C ATOM 1483 C ARG A 96 9.422 -6.687 -0.722 1.00 0.00 C ATOM 1484 O ARG A 96 9.736 -5.998 -1.696 1.00 0.00 O ATOM 1485 CB ARG A 96 11.316 -7.316 0.804 1.00 0.00 C ATOM 1486 CG ARG A 96 10.699 -6.642 2.037 1.00 0.00 C ATOM 1487 CD ARG A 96 9.815 -7.591 2.833 1.00 0.00 C ATOM 1488 NE ARG A 96 9.113 -6.890 3.916 1.00 0.00 N ATOM 1489 CZ ARG A 96 8.196 -7.441 4.732 1.00 0.00 C ATOM 1490 NH1 ARG A 96 7.895 -8.736 4.638 1.00 0.00 N ATOM 1491 NH2 ARG A 96 7.585 -6.688 5.642 1.00 0.00 N ATOM 0 H ARG A 96 11.233 -7.728 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 96 9.685 -8.594 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.921 -8.159 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.993 -6.608 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.495 -6.266 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.111 -5.780 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.088 -8.057 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.424 -8.393 3.251 1.00 0.00 H new ATOM 0 HE ARG A 96 9.339 -5.906 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.361 -9.319 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.198 -9.144 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.812 -5.697 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.889 -7.102 6.263 1.00 0.00 H new ATOM 1505 N THR A 97 8.312 -6.529 -0.054 1.00 0.00 N ATOM 1506 CA THR A 97 7.403 -5.453 -0.279 1.00 0.00 C ATOM 1507 C THR A 97 7.771 -4.248 0.566 1.00 0.00 C ATOM 1508 O THR A 97 7.720 -4.304 1.803 1.00 0.00 O ATOM 1509 CB THR A 97 5.972 -5.887 0.070 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.001 -6.891 1.107 1.00 0.00 O ATOM 1511 CG2 THR A 97 5.239 -6.396 -1.135 1.00 0.00 C ATOM 0 H THR A 97 8.012 -7.168 0.682 1.00 0.00 H new ATOM 0 HA THR A 97 7.461 -5.181 -1.333 1.00 0.00 H new ATOM 0 HB THR A 97 5.433 -5.012 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.085 -7.162 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.230 -6.694 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.185 -5.609 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.768 -7.256 -1.546 1.00 0.00 H new ATOM 1519 N LEU A 98 8.181 -3.195 -0.073 1.00 0.00 N ATOM 1520 CA LEU A 98 8.437 -1.961 0.622 1.00 0.00 C ATOM 1521 C LEU A 98 7.756 -0.799 -0.035 1.00 0.00 C ATOM 1522 O LEU A 98 7.532 -0.793 -1.253 1.00 0.00 O ATOM 1523 CB LEU A 98 9.938 -1.679 1.022 1.00 0.00 C ATOM 1524 CG LEU A 98 11.089 -1.979 0.064 1.00 0.00 C ATOM 1525 CD1 LEU A 98 12.347 -1.449 0.696 1.00 0.00 C ATOM 1526 CD2 LEU A 98 11.260 -3.466 -0.156 1.00 0.00 C ATOM 0 H LEU A 98 8.347 -3.161 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 98 7.972 -2.102 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.005 -0.621 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.133 -2.239 1.936 1.00 0.00 H new ATOM 0 HG LEU A 98 10.880 -1.515 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 98 13.195 -1.645 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 98 12.251 -0.375 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.509 -1.943 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 98 12.088 -3.639 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.471 -3.953 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.345 -3.879 -0.580 1.00 0.00 H new ATOM 1538 N ARG A 99 7.352 0.141 0.788 1.00 0.00 N ATOM 1539 CA ARG A 99 6.640 1.317 0.347 1.00 0.00 C ATOM 1540 C ARG A 99 7.546 2.238 -0.462 1.00 0.00 C ATOM 1541 O ARG A 99 8.775 2.189 -0.321 1.00 0.00 O ATOM 1542 CB ARG A 99 6.012 2.055 1.550 1.00 0.00 C ATOM 1543 CG ARG A 99 7.006 2.461 2.639 1.00 0.00 C ATOM 1544 CD ARG A 99 6.330 3.235 3.773 1.00 0.00 C ATOM 1545 NE ARG A 99 5.852 4.569 3.349 1.00 0.00 N ATOM 1546 CZ ARG A 99 5.511 5.570 4.186 1.00 0.00 C ATOM 1547 NH1 ARG A 99 5.496 5.380 5.507 1.00 0.00 N ATOM 1548 NH2 ARG A 99 5.183 6.758 3.697 1.00 0.00 N ATOM 0 H ARG A 99 7.511 0.110 1.795 1.00 0.00 H new ATOM 0 HA ARG A 99 5.831 0.999 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.506 2.950 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.249 1.415 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.484 1.569 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.793 3.074 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.488 2.655 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.033 3.351 4.598 1.00 0.00 H new ATOM 0 HE ARG A 99 5.774 4.745 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.744 4.470 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.236 6.145 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.189 6.914 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.925 7.516 4.329 1.00 0.00 H new ATOM 1562 N ARG A 100 6.922 3.094 -1.266 1.00 0.00 N ATOM 1563 CA ARG A 100 7.594 4.018 -2.201 1.00 0.00 C ATOM 1564 C ARG A 100 8.659 4.833 -1.475 1.00 0.00 C ATOM 1565 O ARG A 100 9.740 5.049 -2.003 1.00 0.00 O ATOM 1566 CB ARG A 100 6.510 4.926 -2.837 1.00 0.00 C ATOM 1567 CG ARG A 100 6.869 5.783 -4.080 1.00 0.00 C ATOM 1568 CD ARG A 100 7.651 7.079 -3.792 1.00 0.00 C ATOM 1569 NE ARG A 100 9.111 6.917 -3.787 1.00 0.00 N ATOM 1570 CZ ARG A 100 9.968 7.738 -4.421 1.00 0.00 C ATOM 1571 NH1 ARG A 100 9.530 8.810 -5.029 1.00 0.00 N ATOM 1572 NH2 ARG A 100 11.258 7.515 -4.386 1.00 0.00 N ATOM 0 H ARG A 100 5.905 3.173 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 100 8.106 3.463 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.669 4.289 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.156 5.606 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.456 5.170 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.946 6.044 -4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.383 7.825 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.338 7.471 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 100 9.501 6.130 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.534 9.028 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.185 9.428 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.623 6.712 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.898 8.145 -4.871 1.00 0.00 H new ATOM 1586 N THR A 101 8.362 5.222 -0.261 1.00 0.00 N ATOM 1587 CA THR A 101 9.247 6.021 0.573 1.00 0.00 C ATOM 1588 C THR A 101 10.599 5.286 0.911 1.00 0.00 C ATOM 1589 O THR A 101 11.524 5.885 1.442 1.00 0.00 O ATOM 1590 CB THR A 101 8.492 6.405 1.859 1.00 0.00 C ATOM 1591 OG1 THR A 101 7.162 6.832 1.492 1.00 0.00 O ATOM 1592 CG2 THR A 101 9.181 7.552 2.588 1.00 0.00 C ATOM 0 H THR A 101 7.478 4.990 0.193 1.00 0.00 H new ATOM 0 HA THR A 101 9.528 6.915 0.017 1.00 0.00 H new ATOM 0 HB THR A 101 8.469 5.539 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.965 7.692 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.622 7.797 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.194 7.255 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.220 8.425 1.937 1.00 0.00 H new ATOM 1600 N SER A 102 10.707 4.002 0.602 1.00 0.00 N ATOM 1601 CA SER A 102 11.954 3.308 0.799 1.00 0.00 C ATOM 1602 C SER A 102 12.597 2.928 -0.531 1.00 0.00 C ATOM 1603 O SER A 102 13.611 2.256 -0.566 1.00 0.00 O ATOM 1604 CB SER A 102 11.766 2.101 1.699 1.00 0.00 C ATOM 1605 OG SER A 102 11.452 2.518 3.019 1.00 0.00 O ATOM 0 H SER A 102 9.952 3.433 0.219 1.00 0.00 H new ATOM 0 HA SER A 102 12.641 3.989 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.968 1.469 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.674 1.499 1.706 1.00 0.00 H new ATOM 0 HG SER A 102 11.331 1.731 3.591 1.00 0.00 H new ATOM 1611 N LEU A 103 12.013 3.387 -1.602 1.00 0.00 N ATOM 1612 CA LEU A 103 12.534 3.161 -2.930 1.00 0.00 C ATOM 1613 C LEU A 103 13.071 4.461 -3.433 1.00 0.00 C ATOM 1614 O LEU A 103 12.462 5.493 -3.205 1.00 0.00 O ATOM 1615 CB LEU A 103 11.456 2.639 -3.892 1.00 0.00 C ATOM 1616 CG LEU A 103 11.142 1.133 -3.865 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.585 0.678 -2.535 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.189 0.793 -4.981 1.00 0.00 C ATOM 0 H LEU A 103 11.153 3.935 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 103 13.313 2.400 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.532 3.178 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.757 2.901 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 103 12.082 0.600 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.382 -0.392 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.311 0.882 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.661 1.216 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.969 -0.274 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.265 1.357 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.643 1.050 -5.938 1.00 0.00 H new ATOM 1630 N CYS A 104 14.186 4.430 -4.097 1.00 0.00 N ATOM 1631 CA CYS A 104 14.815 5.652 -4.542 1.00 0.00 C ATOM 1632 C CYS A 104 14.107 6.260 -5.755 1.00 0.00 C ATOM 1633 O CYS A 104 13.779 7.451 -5.758 1.00 0.00 O ATOM 1634 CB CYS A 104 16.287 5.424 -4.816 1.00 0.00 C ATOM 1635 SG CYS A 104 17.213 6.914 -5.201 1.00 0.00 S ATOM 0 H CYS A 104 14.685 3.576 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 104 14.725 6.379 -3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 104 16.736 4.947 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.385 4.726 -5.647 1.00 0.00 H new ATOM 0 HG CYS A 104 17.301 7.049 -6.491 1.00 0.00 H new ATOM 1641 N LEU A 105 13.849 5.427 -6.763 1.00 0.00 N ATOM 1642 CA LEU A 105 13.187 5.821 -8.021 1.00 0.00 C ATOM 1643 C LEU A 105 14.067 6.734 -8.883 1.00 0.00 C ATOM 1644 O LEU A 105 14.572 6.312 -9.915 1.00 0.00 O ATOM 1645 CB LEU A 105 11.796 6.450 -7.797 1.00 0.00 C ATOM 1646 CG LEU A 105 11.033 6.851 -9.066 1.00 0.00 C ATOM 1647 CD1 LEU A 105 10.651 5.630 -9.894 1.00 0.00 C ATOM 1648 CD2 LEU A 105 9.816 7.676 -8.719 1.00 0.00 C ATOM 0 H LEU A 105 14.097 4.438 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 105 13.034 4.892 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.184 5.743 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.915 7.335 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 105 11.697 7.464 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.112 5.949 -10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.553 5.093 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.015 4.973 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.289 7.950 -9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.153 7.095 -8.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.127 8.580 -8.195 1.00 0.00 H new ATOM 1660 N LYS A 106 14.265 7.960 -8.452 1.00 0.00 N ATOM 1661 CA LYS A 106 15.046 8.910 -9.220 1.00 0.00 C ATOM 1662 C LYS A 106 16.396 9.115 -8.576 1.00 0.00 C ATOM 1663 O LYS A 106 16.503 9.706 -7.495 1.00 0.00 O ATOM 1664 CB LYS A 106 14.305 10.243 -9.391 1.00 0.00 C ATOM 1665 CG LYS A 106 13.013 10.125 -10.190 1.00 0.00 C ATOM 1666 CD LYS A 106 12.342 11.480 -10.411 1.00 0.00 C ATOM 1667 CE LYS A 106 11.852 12.113 -9.116 1.00 0.00 C ATOM 1668 NZ LYS A 106 10.839 11.278 -8.442 1.00 0.00 N ATOM 0 H LYS A 106 13.897 8.325 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 106 15.196 8.498 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 106 14.077 10.651 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.965 10.955 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.226 9.666 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.324 9.462 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.047 12.155 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.499 11.357 -11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.697 12.269 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.429 13.095 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.446 11.796 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.075 11.051 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.281 10.397 -8.109 1.00 0.00 H new ATOM 1682 N GLY A 107 17.408 8.593 -9.215 1.00 0.00 N ATOM 1683 CA GLY A 107 18.743 8.674 -8.695 1.00 0.00 C ATOM 1684 C GLY A 107 19.084 7.396 -7.979 1.00 0.00 C ATOM 1685 O GLY A 107 18.263 6.467 -7.947 1.00 0.00 O ATOM 0 H GLY A 107 17.330 8.102 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 107 19.450 8.848 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.827 9.519 -8.012 1.00 0.00 H new ATOM 1689 N GLU A 108 20.252 7.314 -7.403 1.00 0.00 N ATOM 1690 CA GLU A 108 20.644 6.109 -6.681 1.00 0.00 C ATOM 1691 C GLU A 108 20.971 6.447 -5.240 1.00 0.00 C ATOM 1692 O GLU A 108 20.594 5.731 -4.308 1.00 0.00 O ATOM 1693 CB GLU A 108 21.874 5.409 -7.303 1.00 0.00 C ATOM 1694 CG GLU A 108 21.756 4.967 -8.767 1.00 0.00 C ATOM 1695 CD GLU A 108 21.803 6.111 -9.744 1.00 0.00 C ATOM 1696 OE1 GLU A 108 22.848 6.790 -9.824 1.00 0.00 O ATOM 1697 OE2 GLU A 108 20.819 6.333 -10.480 1.00 0.00 O ATOM 0 H GLU A 108 20.953 8.055 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 108 19.795 5.428 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 108 22.726 6.084 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.104 4.530 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 108 22.564 4.271 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.820 4.424 -8.900 1.00 0.00 H new ATOM 1704 N ARG A 109 21.633 7.563 -5.062 1.00 0.00 N ATOM 1705 CA ARG A 109 22.126 7.954 -3.775 1.00 0.00 C ATOM 1706 C ARG A 109 21.096 8.797 -3.034 1.00 0.00 C ATOM 1707 O ARG A 109 21.164 10.024 -3.027 1.00 0.00 O ATOM 1708 CB ARG A 109 23.445 8.719 -3.946 1.00 0.00 C ATOM 1709 CG ARG A 109 24.208 8.996 -2.668 1.00 0.00 C ATOM 1710 CD ARG A 109 24.670 7.712 -2.016 1.00 0.00 C ATOM 1711 NE ARG A 109 25.607 7.969 -0.931 1.00 0.00 N ATOM 1712 CZ ARG A 109 26.143 7.046 -0.116 1.00 0.00 C ATOM 1713 NH1 ARG A 109 25.815 5.760 -0.238 1.00 0.00 N ATOM 1714 NH2 ARG A 109 27.044 7.414 0.783 1.00 0.00 N ATOM 0 H ARG A 109 21.843 8.224 -5.810 1.00 0.00 H new ATOM 0 HA ARG A 109 22.310 7.062 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 109 24.089 8.152 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 109 23.233 9.670 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 109 25.070 9.627 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 109 23.574 9.550 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 109 23.808 7.168 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 109 25.143 7.074 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 109 25.881 8.939 -0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 109 25.151 5.469 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 109 26.228 5.067 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 109 27.326 8.392 0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 109 27.456 6.719 1.406 1.00 0.00 H new ATOM 1728 N HIS A 110 20.105 8.145 -2.484 1.00 0.00 N ATOM 1729 CA HIS A 110 19.067 8.809 -1.713 1.00 0.00 C ATOM 1730 C HIS A 110 18.760 7.998 -0.480 1.00 0.00 C ATOM 1731 O HIS A 110 19.088 6.828 -0.434 1.00 0.00 O ATOM 1732 CB HIS A 110 17.777 9.054 -2.536 1.00 0.00 C ATOM 1733 CG HIS A 110 17.893 10.116 -3.607 1.00 0.00 C ATOM 1734 ND1 HIS A 110 17.447 11.407 -3.439 1.00 0.00 N ATOM 1735 CD2 HIS A 110 18.401 10.066 -4.863 1.00 0.00 C ATOM 1736 CE1 HIS A 110 17.678 12.103 -4.537 1.00 0.00 C ATOM 1737 NE2 HIS A 110 18.255 11.311 -5.413 1.00 0.00 N ATOM 0 H HIS A 110 19.988 7.134 -2.554 1.00 0.00 H new ATOM 0 HA HIS A 110 19.445 9.791 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.481 8.116 -3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 110 16.976 9.335 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.840 9.203 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.435 13.144 -4.689 1.00 0.00 H new ATOM 0 HE2 HIS A 110 18.547 11.581 -6.352 1.00 0.00 H new ATOM 1746 N PHE A 111 18.175 8.647 0.521 1.00 0.00 N ATOM 1747 CA PHE A 111 17.776 8.043 1.816 1.00 0.00 C ATOM 1748 C PHE A 111 18.960 7.769 2.745 1.00 0.00 C ATOM 1749 O PHE A 111 18.813 7.188 3.825 1.00 0.00 O ATOM 1750 CB PHE A 111 16.836 6.827 1.654 1.00 0.00 C ATOM 1751 CG PHE A 111 15.546 7.187 0.958 1.00 0.00 C ATOM 1752 CD1 PHE A 111 14.667 8.104 1.527 1.00 0.00 C ATOM 1753 CD2 PHE A 111 15.225 6.644 -0.277 1.00 0.00 C ATOM 1754 CE1 PHE A 111 13.499 8.459 0.885 1.00 0.00 C ATOM 1755 CE2 PHE A 111 14.057 7.002 -0.922 1.00 0.00 C ATOM 1756 CZ PHE A 111 13.196 7.909 -0.343 1.00 0.00 C ATOM 0 H PHE A 111 17.952 9.641 0.465 1.00 0.00 H new ATOM 0 HA PHE A 111 17.183 8.805 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.347 6.049 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.612 6.411 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 111 14.903 8.544 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.895 5.934 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 111 12.823 9.166 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 111 13.818 6.570 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 111 12.285 8.189 -0.850 1.00 0.00 H new ATOM 1766 N ALA A 112 20.113 8.235 2.332 1.00 0.00 N ATOM 1767 CA ALA A 112 21.336 8.190 3.101 1.00 0.00 C ATOM 1768 C ALA A 112 22.213 9.288 2.579 1.00 0.00 C ATOM 1769 O ALA A 112 22.010 9.731 1.436 1.00 0.00 O ATOM 1770 CB ALA A 112 22.052 6.852 2.963 1.00 0.00 C ATOM 0 H ALA A 112 20.232 8.672 1.418 1.00 0.00 H new ATOM 0 HA ALA A 112 21.108 8.315 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 112 22.965 6.865 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.400 6.053 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 112 22.303 6.680 1.916 1.00 0.00 H new ATOM 1776 N GLU A 113 23.143 9.759 3.411 1.00 0.00 N ATOM 1777 CA GLU A 113 24.102 10.825 3.059 1.00 0.00 C ATOM 1778 C GLU A 113 23.375 12.192 2.943 1.00 0.00 C ATOM 1779 O GLU A 113 23.923 13.195 2.474 1.00 0.00 O ATOM 1780 CB GLU A 113 24.882 10.415 1.787 1.00 0.00 C ATOM 1781 CG GLU A 113 26.037 11.299 1.368 1.00 0.00 C ATOM 1782 CD GLU A 113 26.835 10.629 0.291 1.00 0.00 C ATOM 1783 OE1 GLU A 113 26.426 10.653 -0.887 1.00 0.00 O ATOM 1784 OE2 GLU A 113 27.838 9.984 0.609 1.00 0.00 O ATOM 0 H GLU A 113 23.259 9.411 4.363 1.00 0.00 H new ATOM 0 HA GLU A 113 24.840 10.953 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 113 25.266 9.406 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 113 24.175 10.367 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 113 25.660 12.257 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 113 26.675 11.509 2.227 1.00 0.00 H new ATOM 1791 N SER A 114 22.153 12.200 3.435 1.00 0.00 N ATOM 1792 CA SER A 114 21.278 13.348 3.486 1.00 0.00 C ATOM 1793 C SER A 114 20.001 12.886 4.155 1.00 0.00 C ATOM 1794 O SER A 114 19.240 12.106 3.576 1.00 0.00 O ATOM 1795 CB SER A 114 20.966 13.904 2.069 1.00 0.00 C ATOM 1796 OG SER A 114 20.322 15.188 2.101 1.00 0.00 O ATOM 0 H SER A 114 21.724 11.363 3.829 1.00 0.00 H new ATOM 0 HA SER A 114 21.756 14.158 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 114 21.894 13.983 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 114 20.328 13.197 1.539 1.00 0.00 H new ATOM 0 HG SER A 114 19.654 15.201 2.818 1.00 0.00 H new ATOM 1802 N GLU A 115 19.831 13.290 5.398 1.00 0.00 N ATOM 1803 CA GLU A 115 18.646 13.002 6.199 1.00 0.00 C ATOM 1804 C GLU A 115 18.478 11.522 6.531 1.00 0.00 C ATOM 1805 O GLU A 115 19.295 10.661 6.187 1.00 0.00 O ATOM 1806 CB GLU A 115 17.332 13.551 5.563 1.00 0.00 C ATOM 1807 CG GLU A 115 17.155 15.068 5.597 1.00 0.00 C ATOM 1808 CD GLU A 115 18.224 15.809 4.852 1.00 0.00 C ATOM 1809 OE1 GLU A 115 18.182 15.852 3.607 1.00 0.00 O ATOM 1810 OE2 GLU A 115 19.149 16.338 5.502 1.00 0.00 O ATOM 0 H GLU A 115 20.528 13.842 5.897 1.00 0.00 H new ATOM 0 HA GLU A 115 18.824 13.534 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 115 17.290 13.223 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 115 16.485 13.095 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 115 16.184 15.323 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 115 17.147 15.402 6.634 1.00 0.00 H new ATOM 1817 N THR A 116 17.460 11.274 7.257 1.00 0.00 N ATOM 1818 CA THR A 116 17.004 9.987 7.631 1.00 0.00 C ATOM 1819 C THR A 116 15.483 10.076 7.420 1.00 0.00 C ATOM 1820 O THR A 116 14.979 11.192 7.185 1.00 0.00 O ATOM 1821 CB THR A 116 17.372 9.740 9.125 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.768 10.049 9.313 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.146 8.289 9.525 1.00 0.00 C ATOM 0 H THR A 116 16.876 12.019 7.637 1.00 0.00 H new ATOM 0 HA THR A 116 17.442 9.165 7.064 1.00 0.00 H new ATOM 0 HB THR A 116 16.735 10.374 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.013 9.899 10.250 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.413 8.155 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.097 8.031 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.766 7.640 8.906 1.00 0.00 H new ATOM 1831 N LEU A 117 14.758 8.991 7.444 1.00 0.00 N ATOM 1832 CA LEU A 117 13.335 9.089 7.195 1.00 0.00 C ATOM 1833 C LEU A 117 12.496 8.544 8.331 1.00 0.00 C ATOM 1834 O LEU A 117 12.848 7.532 8.955 1.00 0.00 O ATOM 1835 CB LEU A 117 12.891 8.566 5.770 1.00 0.00 C ATOM 1836 CG LEU A 117 13.210 7.104 5.305 1.00 0.00 C ATOM 1837 CD1 LEU A 117 14.699 6.799 5.272 1.00 0.00 C ATOM 1838 CD2 LEU A 117 12.442 6.055 6.105 1.00 0.00 C ATOM 0 H LEU A 117 15.110 8.051 7.627 1.00 0.00 H new ATOM 0 HA LEU A 117 13.127 10.158 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.810 8.691 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.332 9.237 5.033 1.00 0.00 H new ATOM 0 HG LEU A 117 12.858 7.046 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.853 5.772 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.195 7.480 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.119 6.926 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.700 5.060 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.706 6.136 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.371 6.218 5.985 1.00 0.00 H new ATOM 1850 N ASP A 118 11.445 9.257 8.638 1.00 0.00 N ATOM 1851 CA ASP A 118 10.510 8.872 9.671 1.00 0.00 C ATOM 1852 C ASP A 118 9.579 7.802 9.157 1.00 0.00 C ATOM 1853 O ASP A 118 9.624 6.667 9.658 1.00 0.00 O ATOM 1854 CB ASP A 118 9.700 10.065 10.177 1.00 0.00 C ATOM 1855 CG ASP A 118 8.711 9.657 11.246 1.00 0.00 C ATOM 1856 OD1 ASP A 118 9.137 9.454 12.409 1.00 0.00 O ATOM 1857 OD2 ASP A 118 7.499 9.497 10.955 1.00 0.00 O ATOM 1858 OXT ASP A 118 8.836 8.069 8.192 1.00 0.00 O ATOM 0 H ASP A 118 11.208 10.134 8.174 1.00 0.00 H new ATOM 0 HA ASP A 118 11.088 8.482 10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.376 10.821 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.167 10.523 9.344 1.00 0.00 H new TER 1863 ASP A 118