USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 817 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 26 SER OG : rot 70:sc= -0.44 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -176:sc= 0.13 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.23 (180deg=1.18) USER MOD Single : A 3 HIS : no HE2:sc= -0.198 X(o=-0.2,f=-0.1) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.877 K(o=0.88,f=-6.1!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS :FLIP no HE2:sc= 0.167 F(o=-0.68,f=0.17) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -2.33! C(o=-3.8!,f=-2.3!) USER MOD Single : A 18 SER OG : rot 59:sc= 0.159 USER MOD Single : A 19 GLN : amide:sc= 0.493 K(o=0.49,f=-0.25) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.65! C(o=-1.7!,f=-11!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -1.12 (180deg=-2.84!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 106:sc= 2.17 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 137:sc= 1.65 USER MOD Single : A 49 SER OG : rot -36:sc= 0.289 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -28:sc= 0.356 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 102:sc= 2.19 USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= 1.22 (180deg=1.16) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.222 (180deg=-0.942) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.898 (180deg=0.415) USER MOD Single : A 71 ASN : amide:sc= -3.68! C(o=-3.7!,f=-4.6!) USER MOD Single : A 76 SER OG : rot 14:sc= 0.375 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.19 K(o=1.2,f=-0.15) USER MOD Single : A 89 THR OG1 : rot 75:sc= 0.743 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0426 (180deg=-0.269) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 37:sc= 0.0808 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.902 -9.252 4.916 1.00 0.00 N ATOM 2 CA MET A 1 -16.777 -8.734 5.983 1.00 0.00 C ATOM 3 C MET A 1 -17.579 -7.543 5.485 1.00 0.00 C ATOM 4 O MET A 1 -17.012 -6.490 5.160 1.00 0.00 O ATOM 5 CB MET A 1 -15.938 -8.297 7.195 1.00 0.00 C ATOM 6 CG MET A 1 -16.745 -7.696 8.345 1.00 0.00 C ATOM 7 SD MET A 1 -15.690 -7.068 9.675 1.00 0.00 S ATOM 8 CE MET A 1 -16.914 -6.481 10.846 1.00 0.00 C ATOM 0 H1 MET A 1 -15.349 -10.055 5.279 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.483 -9.567 4.113 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.255 -8.500 4.602 1.00 0.00 H new ATOM 0 HA MET A 1 -17.459 -9.532 6.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.386 -9.160 7.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.201 -7.565 6.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.366 -6.885 7.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.419 -8.453 8.746 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.412 -6.065 11.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.525 -5.709 10.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.550 -7.311 11.154 1.00 0.00 H new ATOM 20 N GLY A 2 -18.883 -7.699 5.427 1.00 0.00 N ATOM 21 CA GLY A 2 -19.743 -6.619 5.021 1.00 0.00 C ATOM 22 C GLY A 2 -20.123 -5.793 6.215 1.00 0.00 C ATOM 23 O GLY A 2 -20.597 -6.332 7.204 1.00 0.00 O ATOM 0 H GLY A 2 -19.368 -8.566 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.236 -5.997 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.638 -7.016 4.542 1.00 0.00 H new ATOM 27 N HIS A 3 -19.893 -4.502 6.148 1.00 0.00 N ATOM 28 CA HIS A 3 -20.187 -3.630 7.283 1.00 0.00 C ATOM 29 C HIS A 3 -20.490 -2.206 6.839 1.00 0.00 C ATOM 30 O HIS A 3 -20.357 -1.266 7.618 1.00 0.00 O ATOM 31 CB HIS A 3 -19.059 -3.665 8.347 1.00 0.00 C ATOM 32 CG HIS A 3 -17.704 -3.243 7.878 1.00 0.00 C ATOM 33 ND1 HIS A 3 -17.162 -2.016 8.154 1.00 0.00 N ATOM 34 CD2 HIS A 3 -16.758 -3.921 7.196 1.00 0.00 C ATOM 35 CE1 HIS A 3 -15.945 -1.952 7.665 1.00 0.00 C ATOM 36 NE2 HIS A 3 -15.670 -3.100 7.076 1.00 0.00 N ATOM 0 H HIS A 3 -19.507 -4.027 5.332 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.088 -4.021 7.756 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.350 -3.023 9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.987 -4.680 8.738 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -17.632 -1.266 8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.844 -4.928 6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.281 -1.103 7.733 1.00 0.00 H new ATOM 45 N HIS A 4 -20.938 -2.080 5.593 1.00 0.00 N ATOM 46 CA HIS A 4 -21.378 -0.809 4.977 1.00 0.00 C ATOM 47 C HIS A 4 -20.241 0.189 4.757 1.00 0.00 C ATOM 48 O HIS A 4 -19.608 0.667 5.704 1.00 0.00 O ATOM 49 CB HIS A 4 -22.521 -0.144 5.767 1.00 0.00 C ATOM 50 CG HIS A 4 -23.748 -0.990 5.921 1.00 0.00 C ATOM 51 ND1 HIS A 4 -24.855 -0.856 5.132 1.00 0.00 N ATOM 52 CD2 HIS A 4 -24.037 -1.977 6.799 1.00 0.00 C ATOM 53 CE1 HIS A 4 -25.772 -1.716 5.512 1.00 0.00 C ATOM 54 NE2 HIS A 4 -25.301 -2.410 6.524 1.00 0.00 N ATOM 0 H HIS A 4 -21.011 -2.875 4.958 1.00 0.00 H new ATOM 0 HA HIS A 4 -21.753 -1.091 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -22.153 0.123 6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -22.797 0.785 5.269 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -23.387 -2.353 7.575 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -26.749 -1.833 5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -25.798 -3.149 7.021 1.00 0.00 H new ATOM 63 N HIS A 5 -19.995 0.528 3.515 1.00 0.00 N ATOM 64 CA HIS A 5 -18.959 1.490 3.198 1.00 0.00 C ATOM 65 C HIS A 5 -19.547 2.872 2.971 1.00 0.00 C ATOM 66 O HIS A 5 -19.815 3.268 1.840 1.00 0.00 O ATOM 67 CB HIS A 5 -18.101 1.088 1.991 1.00 0.00 C ATOM 68 CG HIS A 5 -17.302 -0.167 2.150 1.00 0.00 C ATOM 69 ND1 HIS A 5 -15.974 -0.166 2.476 1.00 0.00 N ATOM 70 CD2 HIS A 5 -17.634 -1.458 1.979 1.00 0.00 C ATOM 71 CE1 HIS A 5 -15.521 -1.397 2.497 1.00 0.00 C ATOM 72 NE2 HIS A 5 -16.507 -2.202 2.200 1.00 0.00 N ATOM 0 H HIS A 5 -20.494 0.156 2.707 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.301 1.510 4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.755 0.973 1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.417 1.906 1.767 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -15.419 0.667 2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.610 -1.838 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.507 -1.694 2.721 1.00 0.00 H new ATOM 81 N HIS A 6 -19.835 3.556 4.052 1.00 0.00 N ATOM 82 CA HIS A 6 -20.301 4.948 4.015 1.00 0.00 C ATOM 83 C HIS A 6 -19.723 5.663 5.207 1.00 0.00 C ATOM 84 O HIS A 6 -20.290 5.611 6.293 1.00 0.00 O ATOM 85 CB HIS A 6 -21.846 5.083 4.043 1.00 0.00 C ATOM 86 CG HIS A 6 -22.578 4.488 2.879 1.00 0.00 C ATOM 87 ND1 HIS A 6 -23.421 3.414 2.994 1.00 0.00 N ATOM 88 CD2 HIS A 6 -22.616 4.850 1.572 1.00 0.00 C ATOM 89 CE1 HIS A 6 -23.940 3.138 1.823 1.00 0.00 C ATOM 90 NE2 HIS A 6 -23.471 3.993 0.941 1.00 0.00 N ATOM 0 H HIS A 6 -19.757 3.173 4.994 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.968 5.384 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.215 4.616 4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.097 6.142 4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.072 5.664 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.638 2.340 1.616 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.707 4.013 -0.051 1.00 0.00 H new ATOM 99 N HIS A 7 -18.552 6.255 5.030 1.00 0.00 N ATOM 100 CA HIS A 7 -17.804 6.938 6.116 1.00 0.00 C ATOM 101 C HIS A 7 -17.263 5.983 7.175 1.00 0.00 C ATOM 102 O HIS A 7 -16.604 6.396 8.119 1.00 0.00 O ATOM 103 CB HIS A 7 -18.543 8.145 6.722 1.00 0.00 C ATOM 104 CG HIS A 7 -18.578 9.327 5.802 1.00 0.00 C ATOM 105 ND1 HIS A 7 -19.681 9.693 5.068 1.00 0.00 N ATOM 106 CD2 HIS A 7 -17.620 10.231 5.502 1.00 0.00 C ATOM 107 CE1 HIS A 7 -19.400 10.763 4.355 1.00 0.00 C ATOM 108 NE2 HIS A 7 -18.155 11.110 4.601 1.00 0.00 N ATOM 0 H HIS A 7 -18.076 6.285 4.128 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.929 7.358 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.564 7.853 6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.058 8.431 7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -16.616 10.255 5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.076 11.270 3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.668 11.905 4.187 1.00 0.00 H new ATOM 117 N HIS A 8 -17.539 4.711 6.997 1.00 0.00 N ATOM 118 CA HIS A 8 -16.954 3.670 7.819 1.00 0.00 C ATOM 119 C HIS A 8 -15.678 3.286 7.146 1.00 0.00 C ATOM 120 O HIS A 8 -15.560 3.486 5.932 1.00 0.00 O ATOM 121 CB HIS A 8 -17.874 2.439 7.935 1.00 0.00 C ATOM 122 CG HIS A 8 -19.116 2.645 8.752 1.00 0.00 C ATOM 123 ND1 HIS A 8 -20.227 3.379 8.516 1.00 0.00 N flip ATOM 124 CD2 HIS A 8 -19.322 2.032 9.962 1.00 0.00 C flip ATOM 125 CE1 HIS A 8 -21.071 3.198 9.578 1.00 0.00 C flip ATOM 126 NE2 HIS A 8 -20.497 2.379 10.436 1.00 0.00 N flip ATOM 0 H HIS A 8 -18.176 4.366 6.278 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.797 4.034 8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -18.166 2.127 6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -17.304 1.619 8.371 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -20.404 3.961 7.697 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.625 1.366 10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.045 3.651 9.694 1.00 0.00 H new ATOM 135 N LEU A 9 -14.725 2.764 7.875 1.00 0.00 N ATOM 136 CA LEU A 9 -13.470 2.439 7.255 1.00 0.00 C ATOM 137 C LEU A 9 -13.545 1.318 6.236 1.00 0.00 C ATOM 138 O LEU A 9 -14.451 0.461 6.256 1.00 0.00 O ATOM 139 CB LEU A 9 -12.291 2.324 8.219 1.00 0.00 C ATOM 140 CG LEU A 9 -12.365 1.351 9.395 1.00 0.00 C ATOM 141 CD1 LEU A 9 -12.523 -0.099 8.945 1.00 0.00 C ATOM 142 CD2 LEU A 9 -11.109 1.506 10.181 1.00 0.00 C ATOM 0 H LEU A 9 -14.791 2.560 8.872 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.242 3.327 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.414 2.056 7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.108 3.317 8.629 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.245 1.585 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.570 -0.748 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.441 -0.202 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.671 -0.383 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.126 0.825 11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.253 1.275 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.028 2.532 10.539 1.00 0.00 H new ATOM 154 N GLU A 10 -12.590 1.324 5.382 1.00 0.00 N ATOM 155 CA GLU A 10 -12.571 0.491 4.236 1.00 0.00 C ATOM 156 C GLU A 10 -11.873 -0.813 4.452 1.00 0.00 C ATOM 157 O GLU A 10 -10.686 -0.858 4.708 1.00 0.00 O ATOM 158 CB GLU A 10 -11.864 1.227 3.147 1.00 0.00 C ATOM 159 CG GLU A 10 -12.478 2.547 2.841 1.00 0.00 C ATOM 160 CD GLU A 10 -13.824 2.424 2.167 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.813 2.116 2.831 1.00 0.00 O ATOM 162 OE2 GLU A 10 -13.899 2.619 0.934 1.00 0.00 O ATOM 0 H GLU A 10 -11.772 1.928 5.463 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.606 0.258 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.823 1.375 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.863 0.616 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.590 3.114 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.806 3.115 2.198 1.00 0.00 H new ATOM 169 N GLU A 11 -12.612 -1.858 4.378 1.00 0.00 N ATOM 170 CA GLU A 11 -12.048 -3.131 4.295 1.00 0.00 C ATOM 171 C GLU A 11 -11.835 -3.449 2.868 1.00 0.00 C ATOM 172 O GLU A 11 -12.791 -3.547 2.086 1.00 0.00 O ATOM 173 CB GLU A 11 -12.896 -4.216 4.918 1.00 0.00 C ATOM 174 CG GLU A 11 -12.361 -5.603 4.559 1.00 0.00 C ATOM 175 CD GLU A 11 -13.076 -6.734 5.237 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.819 -6.984 6.430 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.915 -7.391 4.586 1.00 0.00 O ATOM 0 H GLU A 11 -13.632 -1.842 4.374 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.114 -3.108 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.908 -4.096 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.926 -4.120 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.431 -5.739 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.303 -5.650 4.818 1.00 0.00 H new ATOM 184 N PHE A 12 -10.638 -3.558 2.522 1.00 0.00 N ATOM 185 CA PHE A 12 -10.283 -3.978 1.255 1.00 0.00 C ATOM 186 C PHE A 12 -9.806 -5.365 1.320 1.00 0.00 C ATOM 187 O PHE A 12 -9.293 -5.792 2.333 1.00 0.00 O ATOM 188 CB PHE A 12 -9.191 -3.140 0.698 1.00 0.00 C ATOM 189 CG PHE A 12 -9.593 -1.766 0.298 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.212 -1.545 -0.919 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.351 -0.691 1.126 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.580 -0.277 -1.295 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.718 0.577 0.751 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.332 0.784 -0.458 1.00 0.00 C ATOM 0 H PHE A 12 -9.848 -3.350 3.133 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.161 -3.895 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.395 -3.068 1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.772 -3.647 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.408 -2.377 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.868 -0.848 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.063 -0.114 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.523 1.412 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.621 1.782 -0.752 1.00 0.00 H new ATOM 204 N THR A 13 -9.983 -6.073 0.287 1.00 0.00 N ATOM 205 CA THR A 13 -9.434 -7.355 0.205 1.00 0.00 C ATOM 206 C THR A 13 -8.370 -7.301 -0.906 1.00 0.00 C ATOM 207 O THR A 13 -8.528 -6.561 -1.874 1.00 0.00 O ATOM 208 CB THR A 13 -10.515 -8.391 -0.050 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.646 -8.077 0.793 1.00 0.00 O ATOM 210 CG2 THR A 13 -10.011 -9.750 0.362 1.00 0.00 C ATOM 0 H THR A 13 -10.516 -5.779 -0.532 1.00 0.00 H new ATOM 0 HA THR A 13 -8.968 -7.660 1.142 1.00 0.00 H new ATOM 0 HB THR A 13 -10.787 -8.388 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.358 -8.734 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.785 -10.496 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.123 -10.000 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.760 -9.739 1.423 1.00 0.00 H new ATOM 218 N ALA A 14 -7.320 -8.056 -0.757 1.00 0.00 N ATOM 219 CA ALA A 14 -6.089 -7.883 -1.580 1.00 0.00 C ATOM 220 C ALA A 14 -6.256 -7.993 -3.120 1.00 0.00 C ATOM 221 O ALA A 14 -5.763 -7.119 -3.859 1.00 0.00 O ATOM 222 CB ALA A 14 -4.966 -8.747 -1.063 1.00 0.00 C ATOM 0 H ALA A 14 -7.261 -8.812 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.828 -6.833 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.080 -8.601 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.739 -8.471 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.266 -9.794 -1.100 1.00 0.00 H new ATOM 228 N GLU A 15 -6.958 -9.010 -3.606 1.00 0.00 N ATOM 229 CA GLU A 15 -7.186 -9.145 -5.058 1.00 0.00 C ATOM 230 C GLU A 15 -8.068 -8.042 -5.581 1.00 0.00 C ATOM 231 O GLU A 15 -7.922 -7.593 -6.721 1.00 0.00 O ATOM 232 CB GLU A 15 -7.765 -10.506 -5.429 1.00 0.00 C ATOM 233 CG GLU A 15 -6.772 -11.639 -5.396 1.00 0.00 C ATOM 234 CD GLU A 15 -5.701 -11.445 -6.435 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.017 -11.526 -7.638 1.00 0.00 O ATOM 236 OE2 GLU A 15 -4.525 -11.206 -6.074 1.00 0.00 O ATOM 0 H GLU A 15 -7.376 -9.746 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.208 -9.062 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.583 -10.737 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.193 -10.444 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.318 -11.701 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.287 -12.584 -5.570 1.00 0.00 H new ATOM 243 N GLN A 16 -8.964 -7.601 -4.743 1.00 0.00 N ATOM 244 CA GLN A 16 -9.860 -6.527 -5.062 1.00 0.00 C ATOM 245 C GLN A 16 -9.144 -5.185 -5.056 1.00 0.00 C ATOM 246 O GLN A 16 -9.439 -4.309 -5.865 1.00 0.00 O ATOM 247 CB GLN A 16 -10.997 -6.545 -4.093 1.00 0.00 C ATOM 248 CG GLN A 16 -11.928 -7.697 -4.338 1.00 0.00 C ATOM 249 CD GLN A 16 -12.812 -7.933 -3.185 1.00 0.00 C ATOM 250 OE1 GLN A 16 -12.362 -8.779 -2.336 1.00 0.00 O flip ATOM 251 NE2 GLN A 16 -13.904 -7.368 -3.071 1.00 0.00 N flip ATOM 0 H GLN A 16 -9.094 -7.983 -3.806 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.246 -6.667 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.606 -6.605 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.551 -5.609 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.530 -7.497 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.348 -8.597 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.210 -6.702 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.500 -7.567 -2.267 1.00 0.00 H new ATOM 260 N LEU A 17 -8.167 -5.054 -4.169 1.00 0.00 N ATOM 261 CA LEU A 17 -7.384 -3.830 -4.040 1.00 0.00 C ATOM 262 C LEU A 17 -6.555 -3.582 -5.294 1.00 0.00 C ATOM 263 O LEU A 17 -6.249 -2.443 -5.630 1.00 0.00 O ATOM 264 CB LEU A 17 -6.422 -3.921 -2.857 1.00 0.00 C ATOM 265 CG LEU A 17 -5.630 -2.643 -2.577 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.514 -1.571 -2.005 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.447 -2.897 -1.695 1.00 0.00 C ATOM 0 H LEU A 17 -7.894 -5.791 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.091 -3.014 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.990 -4.183 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.720 -4.735 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.246 -2.288 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.923 -0.675 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.309 -1.339 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.952 -1.921 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.914 -1.962 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.785 -3.303 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.780 -3.611 -2.178 1.00 0.00 H new ATOM 279 N SER A 18 -6.239 -4.664 -6.003 1.00 0.00 N ATOM 280 CA SER A 18 -5.358 -4.642 -7.180 1.00 0.00 C ATOM 281 C SER A 18 -5.885 -3.739 -8.329 1.00 0.00 C ATOM 282 O SER A 18 -5.188 -3.491 -9.308 1.00 0.00 O ATOM 283 CB SER A 18 -5.151 -6.074 -7.680 1.00 0.00 C ATOM 284 OG SER A 18 -4.649 -6.919 -6.634 1.00 0.00 O ATOM 0 H SER A 18 -6.590 -5.595 -5.777 1.00 0.00 H new ATOM 0 HA SER A 18 -4.410 -4.206 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.095 -6.473 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.453 -6.073 -8.517 1.00 0.00 H new ATOM 0 HG SER A 18 -5.277 -6.917 -5.882 1.00 0.00 H new ATOM 290 N GLN A 19 -7.087 -3.242 -8.183 1.00 0.00 N ATOM 291 CA GLN A 19 -7.703 -2.423 -9.211 1.00 0.00 C ATOM 292 C GLN A 19 -7.752 -0.960 -8.812 1.00 0.00 C ATOM 293 O GLN A 19 -8.102 -0.090 -9.608 1.00 0.00 O ATOM 294 CB GLN A 19 -9.098 -2.937 -9.602 1.00 0.00 C ATOM 295 CG GLN A 19 -9.106 -4.242 -10.412 1.00 0.00 C ATOM 296 CD GLN A 19 -8.602 -5.488 -9.680 1.00 0.00 C ATOM 297 OE1 GLN A 19 -8.015 -6.385 -10.297 1.00 0.00 O ATOM 298 NE2 GLN A 19 -8.870 -5.588 -8.404 1.00 0.00 N ATOM 0 H GLN A 19 -7.667 -3.389 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.068 -2.504 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.681 -3.088 -8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.604 -2.165 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.125 -4.431 -10.750 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.496 -4.097 -11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.356 -4.830 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.593 -6.424 -7.889 1.00 0.00 H new ATOM 307 N TYR A 20 -7.365 -0.695 -7.603 1.00 0.00 N ATOM 308 CA TYR A 20 -7.357 0.657 -7.053 1.00 0.00 C ATOM 309 C TYR A 20 -6.023 1.369 -7.309 1.00 0.00 C ATOM 310 O TYR A 20 -5.543 2.153 -6.489 1.00 0.00 O ATOM 311 CB TYR A 20 -7.700 0.614 -5.563 1.00 0.00 C ATOM 312 CG TYR A 20 -9.155 0.266 -5.298 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.110 1.266 -5.220 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.571 -1.044 -5.133 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.435 0.980 -4.983 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.900 -1.345 -4.895 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.828 -0.325 -4.821 1.00 0.00 C ATOM 318 OH TYR A 20 -13.159 -0.613 -4.585 1.00 0.00 O ATOM 0 H TYR A 20 -7.039 -1.408 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.120 1.242 -7.566 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.061 -0.119 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.477 1.583 -5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.808 2.295 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.847 -1.843 -5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.161 1.777 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.210 -2.372 -4.768 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.273 -1.582 -4.495 1.00 0.00 H new ATOM 328 N ASN A 21 -5.460 1.120 -8.480 1.00 0.00 N ATOM 329 CA ASN A 21 -4.207 1.751 -8.896 1.00 0.00 C ATOM 330 C ASN A 21 -4.456 3.059 -9.652 1.00 0.00 C ATOM 331 O ASN A 21 -3.521 3.805 -9.969 1.00 0.00 O ATOM 332 CB ASN A 21 -3.338 0.794 -9.725 1.00 0.00 C ATOM 333 CG ASN A 21 -4.032 0.229 -10.948 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.927 0.854 -11.537 1.00 0.00 O ATOM 335 ND2 ASN A 21 -3.627 -0.941 -11.344 1.00 0.00 N ATOM 0 H ASN A 21 -5.852 0.479 -9.170 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.657 1.994 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.438 1.321 -10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.017 -0.031 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.048 -1.375 -12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.888 -1.425 -10.834 1.00 0.00 H new ATOM 342 N GLY A 22 -5.715 3.304 -9.966 1.00 0.00 N ATOM 343 CA GLY A 22 -6.119 4.546 -10.594 1.00 0.00 C ATOM 344 C GLY A 22 -5.779 4.687 -12.073 1.00 0.00 C ATOM 345 O GLY A 22 -5.850 5.789 -12.603 1.00 0.00 O ATOM 0 H GLY A 22 -6.480 2.652 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.197 4.656 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.654 5.371 -10.054 1.00 0.00 H new ATOM 349 N THR A 23 -5.432 3.609 -12.750 1.00 0.00 N ATOM 350 CA THR A 23 -5.110 3.734 -14.171 1.00 0.00 C ATOM 351 C THR A 23 -6.382 3.626 -15.018 1.00 0.00 C ATOM 352 O THR A 23 -6.427 4.058 -16.179 1.00 0.00 O ATOM 353 CB THR A 23 -4.064 2.683 -14.631 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.584 2.998 -15.941 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.640 1.269 -14.646 1.00 0.00 C ATOM 0 H THR A 23 -5.365 2.667 -12.364 1.00 0.00 H new ATOM 0 HA THR A 23 -4.665 4.718 -14.316 1.00 0.00 H new ATOM 0 HB THR A 23 -3.246 2.716 -13.911 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.924 2.328 -16.218 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.873 0.567 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.972 1.001 -13.643 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.486 1.228 -15.332 1.00 0.00 H new ATOM 363 N ASP A 24 -7.408 3.074 -14.422 1.00 0.00 N ATOM 364 CA ASP A 24 -8.674 2.863 -15.094 1.00 0.00 C ATOM 365 C ASP A 24 -9.652 3.940 -14.692 1.00 0.00 C ATOM 366 O ASP A 24 -10.104 3.928 -13.575 1.00 0.00 O ATOM 367 CB ASP A 24 -9.234 1.509 -14.682 1.00 0.00 C ATOM 368 CG ASP A 24 -10.585 1.191 -15.268 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.722 1.168 -16.507 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.525 0.952 -14.485 1.00 0.00 O ATOM 0 H ASP A 24 -7.393 2.755 -13.453 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.521 2.896 -16.173 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.530 0.732 -14.980 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.305 1.474 -13.595 1.00 0.00 H new ATOM 375 N GLU A 25 -9.901 4.929 -15.579 1.00 0.00 N ATOM 376 CA GLU A 25 -10.852 6.060 -15.310 1.00 0.00 C ATOM 377 C GLU A 25 -10.430 6.846 -14.079 1.00 0.00 C ATOM 378 O GLU A 25 -11.184 7.688 -13.574 1.00 0.00 O ATOM 379 CB GLU A 25 -12.293 5.570 -15.095 1.00 0.00 C ATOM 380 CG GLU A 25 -12.951 4.912 -16.283 1.00 0.00 C ATOM 381 CD GLU A 25 -14.374 4.521 -15.966 1.00 0.00 C ATOM 382 OE1 GLU A 25 -15.252 5.415 -15.931 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.635 3.328 -15.704 1.00 0.00 O ATOM 0 H GLU A 25 -9.459 4.977 -16.497 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.821 6.697 -16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.296 4.863 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.904 6.420 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.938 5.593 -17.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.384 4.028 -16.574 1.00 0.00 H new ATOM 390 N SER A 26 -9.214 6.595 -13.646 1.00 0.00 N ATOM 391 CA SER A 26 -8.694 7.086 -12.428 1.00 0.00 C ATOM 392 C SER A 26 -9.619 6.675 -11.253 1.00 0.00 C ATOM 393 O SER A 26 -10.333 7.508 -10.660 1.00 0.00 O ATOM 394 CB SER A 26 -8.428 8.598 -12.499 1.00 0.00 C ATOM 395 OG SER A 26 -7.821 9.087 -11.314 1.00 0.00 O ATOM 0 H SER A 26 -8.551 6.020 -14.166 1.00 0.00 H new ATOM 0 HA SER A 26 -7.722 6.630 -12.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.784 8.813 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.368 9.124 -12.669 1.00 0.00 H new ATOM 0 HG SER A 26 -6.901 8.753 -11.256 1.00 0.00 H new ATOM 401 N LYS A 27 -9.684 5.358 -11.005 1.00 0.00 N ATOM 402 CA LYS A 27 -10.439 4.839 -9.874 1.00 0.00 C ATOM 403 C LYS A 27 -9.697 5.225 -8.597 1.00 0.00 C ATOM 404 O LYS A 27 -8.490 5.476 -8.667 1.00 0.00 O ATOM 405 CB LYS A 27 -10.635 3.279 -9.945 1.00 0.00 C ATOM 406 CG LYS A 27 -11.308 2.769 -11.226 1.00 0.00 C ATOM 407 CD LYS A 27 -11.973 1.400 -11.059 1.00 0.00 C ATOM 408 CE LYS A 27 -10.998 0.264 -10.812 1.00 0.00 C ATOM 409 NZ LYS A 27 -10.116 0.029 -11.973 1.00 0.00 N ATOM 0 H LYS A 27 -9.224 4.645 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.439 5.273 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.660 2.800 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.231 2.963 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.058 3.492 -11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.563 2.709 -12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.676 1.448 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.553 1.178 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.391 0.492 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.552 -0.647 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.782 -0.956 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.644 0.205 -12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.300 0.672 -11.925 1.00 0.00 H new ATOM 423 N PRO A 28 -10.402 5.320 -7.431 1.00 0.00 N ATOM 424 CA PRO A 28 -9.774 5.656 -6.136 1.00 0.00 C ATOM 425 C PRO A 28 -8.456 4.905 -5.932 1.00 0.00 C ATOM 426 O PRO A 28 -8.361 3.704 -6.199 1.00 0.00 O ATOM 427 CB PRO A 28 -10.819 5.204 -5.135 1.00 0.00 C ATOM 428 CG PRO A 28 -12.110 5.433 -5.827 1.00 0.00 C ATOM 429 CD PRO A 28 -11.861 5.120 -7.280 1.00 0.00 C ATOM 0 HA PRO A 28 -9.511 6.710 -6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.690 4.154 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.757 5.776 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.891 4.793 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.443 6.463 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.154 4.100 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.427 5.782 -7.936 1.00 0.00 H new ATOM 437 N ILE A 29 -7.465 5.604 -5.455 1.00 0.00 N ATOM 438 CA ILE A 29 -6.127 5.078 -5.407 1.00 0.00 C ATOM 439 C ILE A 29 -5.739 4.766 -3.978 1.00 0.00 C ATOM 440 O ILE A 29 -5.702 5.660 -3.114 1.00 0.00 O ATOM 441 CB ILE A 29 -5.135 6.105 -5.969 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.637 6.650 -7.298 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.789 5.427 -6.195 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.813 7.757 -7.823 1.00 0.00 C ATOM 0 H ILE A 29 -7.560 6.551 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.097 4.167 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.034 6.925 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.657 5.842 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.663 6.996 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.079 6.151 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.415 5.036 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.909 4.608 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.225 8.099 -8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.813 8.581 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.791 7.409 -7.976 1.00 0.00 H new ATOM 456 N TYR A 30 -5.437 3.525 -3.718 1.00 0.00 N ATOM 457 CA TYR A 30 -5.105 3.108 -2.382 1.00 0.00 C ATOM 458 C TYR A 30 -3.854 2.295 -2.348 1.00 0.00 C ATOM 459 O TYR A 30 -3.634 1.439 -3.192 1.00 0.00 O ATOM 460 CB TYR A 30 -6.250 2.321 -1.764 1.00 0.00 C ATOM 461 CG TYR A 30 -7.549 3.081 -1.669 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.738 4.070 -0.713 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.587 2.801 -2.528 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.935 4.753 -0.629 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.776 3.478 -2.450 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.947 4.449 -1.503 1.00 0.00 C ATOM 467 OH TYR A 30 -11.143 5.121 -1.428 1.00 0.00 O ATOM 0 H TYR A 30 -5.413 2.781 -4.415 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.935 4.012 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.414 1.418 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.957 2.001 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.939 4.308 -0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.462 2.033 -3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.073 5.520 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.577 3.245 -3.136 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.751 4.785 -2.119 1.00 0.00 H new ATOM 477 N VAL A 31 -3.031 2.587 -1.385 1.00 0.00 N ATOM 478 CA VAL A 31 -1.829 1.835 -1.134 1.00 0.00 C ATOM 479 C VAL A 31 -1.981 1.191 0.220 1.00 0.00 C ATOM 480 O VAL A 31 -2.794 1.648 1.032 1.00 0.00 O ATOM 481 CB VAL A 31 -0.549 2.726 -1.108 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.268 3.375 -2.448 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.642 3.776 -0.023 1.00 0.00 C ATOM 0 H VAL A 31 -3.174 3.364 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.704 1.111 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 31 0.288 2.064 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.633 3.984 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.124 2.602 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.111 4.006 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.263 4.384 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.507 4.413 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.749 3.289 0.946 1.00 0.00 H new ATOM 493 N ALA A 32 -1.241 0.165 0.477 1.00 0.00 N ATOM 494 CA ALA A 32 -1.309 -0.464 1.758 1.00 0.00 C ATOM 495 C ALA A 32 0.073 -0.764 2.274 1.00 0.00 C ATOM 496 O ALA A 32 0.957 -1.154 1.515 1.00 0.00 O ATOM 497 CB ALA A 32 -2.169 -1.714 1.705 1.00 0.00 C ATOM 0 H ALA A 32 -0.583 -0.257 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.782 0.227 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.204 -2.174 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.179 -1.448 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.742 -2.419 0.992 1.00 0.00 H new ATOM 503 N ILE A 33 0.276 -0.522 3.544 1.00 0.00 N ATOM 504 CA ILE A 33 1.530 -0.820 4.205 1.00 0.00 C ATOM 505 C ILE A 33 1.173 -1.539 5.500 1.00 0.00 C ATOM 506 O ILE A 33 0.532 -0.948 6.380 1.00 0.00 O ATOM 507 CB ILE A 33 2.338 0.489 4.531 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.509 1.362 3.292 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.722 0.162 5.090 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.287 2.626 3.569 1.00 0.00 C ATOM 0 H ILE A 33 -0.427 -0.109 4.157 1.00 0.00 H new ATOM 0 HA ILE A 33 2.161 -1.430 3.558 1.00 0.00 H new ATOM 0 HB ILE A 33 1.761 1.032 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.019 0.789 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.526 1.624 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.256 1.088 5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.616 -0.418 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.283 -0.418 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.377 3.207 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.766 3.216 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.281 2.369 3.934 1.00 0.00 H new ATOM 522 N LYS A 34 1.541 -2.811 5.598 1.00 0.00 N ATOM 523 CA LYS A 34 1.191 -3.664 6.737 1.00 0.00 C ATOM 524 C LYS A 34 -0.301 -3.848 6.881 1.00 0.00 C ATOM 525 O LYS A 34 -0.822 -4.072 7.986 1.00 0.00 O ATOM 526 CB LYS A 34 1.856 -3.220 8.050 1.00 0.00 C ATOM 527 CG LYS A 34 3.161 -3.943 8.342 1.00 0.00 C ATOM 528 CD LYS A 34 2.880 -5.434 8.537 1.00 0.00 C ATOM 529 CE LYS A 34 4.119 -6.228 8.862 1.00 0.00 C ATOM 530 NZ LYS A 34 3.802 -7.667 9.039 1.00 0.00 N ATOM 0 H LYS A 34 2.095 -3.287 4.886 1.00 0.00 H new ATOM 0 HA LYS A 34 1.606 -4.646 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.045 -2.147 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.163 -3.389 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.862 -3.798 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.627 -3.529 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.154 -5.559 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.426 -5.834 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.850 -6.110 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.576 -5.839 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.673 -8.190 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.122 -7.779 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.388 -8.042 8.161 1.00 0.00 H new ATOM 544 N GLY A 35 -0.979 -3.812 5.756 1.00 0.00 N ATOM 545 CA GLY A 35 -2.390 -4.022 5.729 1.00 0.00 C ATOM 546 C GLY A 35 -3.171 -2.776 6.007 1.00 0.00 C ATOM 547 O GLY A 35 -4.391 -2.806 6.039 1.00 0.00 O ATOM 0 H GLY A 35 -0.560 -3.636 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.675 -4.413 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.653 -4.781 6.465 1.00 0.00 H new ATOM 551 N ARG A 36 -2.483 -1.679 6.225 1.00 0.00 N ATOM 552 CA ARG A 36 -3.143 -0.438 6.475 1.00 0.00 C ATOM 553 C ARG A 36 -3.237 0.311 5.189 1.00 0.00 C ATOM 554 O ARG A 36 -2.219 0.592 4.558 1.00 0.00 O ATOM 555 CB ARG A 36 -2.399 0.379 7.521 1.00 0.00 C ATOM 556 CG ARG A 36 -2.201 -0.365 8.821 1.00 0.00 C ATOM 557 CD ARG A 36 -1.650 0.536 9.905 1.00 0.00 C ATOM 558 NE ARG A 36 -0.327 1.077 9.600 1.00 0.00 N ATOM 559 CZ ARG A 36 0.262 2.045 10.317 1.00 0.00 C ATOM 560 NH1 ARG A 36 -0.402 2.655 11.302 1.00 0.00 N ATOM 561 NH2 ARG A 36 1.493 2.406 10.046 1.00 0.00 N ATOM 0 H ARG A 36 -1.464 -1.630 6.232 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.141 -0.629 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.427 0.669 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.951 1.299 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.152 -0.787 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.520 -1.201 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.343 1.362 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.598 -0.023 10.839 1.00 0.00 H new ATOM 0 HE ARG A 36 0.176 0.697 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.363 2.385 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.052 3.391 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.003 1.950 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.940 3.142 10.592 1.00 0.00 H new ATOM 575 N VAL A 37 -4.430 0.609 4.788 1.00 0.00 N ATOM 576 CA VAL A 37 -4.657 1.268 3.540 1.00 0.00 C ATOM 577 C VAL A 37 -4.670 2.771 3.711 1.00 0.00 C ATOM 578 O VAL A 37 -5.437 3.314 4.503 1.00 0.00 O ATOM 579 CB VAL A 37 -5.962 0.783 2.865 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.221 1.552 1.599 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.859 -0.690 2.542 1.00 0.00 C ATOM 0 H VAL A 37 -5.278 0.403 5.317 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.828 1.006 2.883 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.788 0.950 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.143 1.196 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.317 2.613 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.391 1.405 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.782 -1.024 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.021 -0.856 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.700 -1.254 3.461 1.00 0.00 H new ATOM 591 N PHE A 38 -3.821 3.420 2.980 1.00 0.00 N ATOM 592 CA PHE A 38 -3.709 4.849 2.999 1.00 0.00 C ATOM 593 C PHE A 38 -4.285 5.400 1.706 1.00 0.00 C ATOM 594 O PHE A 38 -4.071 4.818 0.624 1.00 0.00 O ATOM 595 CB PHE A 38 -2.241 5.265 3.109 1.00 0.00 C ATOM 596 CG PHE A 38 -1.528 4.831 4.371 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.985 3.555 4.490 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.393 5.704 5.431 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.328 3.170 5.645 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.735 5.324 6.581 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.203 4.057 6.688 1.00 0.00 C ATOM 0 H PHE A 38 -3.171 2.965 2.339 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.253 5.241 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.703 4.860 2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.184 6.351 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.078 2.857 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.808 6.698 5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.085 2.176 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.636 6.021 7.400 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.312 3.761 7.590 1.00 0.00 H new ATOM 611 N ASP A 39 -5.017 6.487 1.800 1.00 0.00 N ATOM 612 CA ASP A 39 -5.582 7.111 0.608 1.00 0.00 C ATOM 613 C ASP A 39 -4.561 7.969 -0.079 1.00 0.00 C ATOM 614 O ASP A 39 -4.125 8.980 0.460 1.00 0.00 O ATOM 615 CB ASP A 39 -6.827 7.953 0.917 1.00 0.00 C ATOM 616 CG ASP A 39 -7.357 8.672 -0.328 1.00 0.00 C ATOM 617 OD1 ASP A 39 -8.107 8.055 -1.111 1.00 0.00 O ATOM 618 OD2 ASP A 39 -7.014 9.868 -0.544 1.00 0.00 O ATOM 0 H ASP A 39 -5.238 6.959 2.677 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.883 6.296 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.607 7.310 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.586 8.688 1.685 1.00 0.00 H new ATOM 623 N VAL A 40 -4.167 7.561 -1.251 1.00 0.00 N ATOM 624 CA VAL A 40 -3.245 8.334 -2.045 1.00 0.00 C ATOM 625 C VAL A 40 -3.952 8.911 -3.246 1.00 0.00 C ATOM 626 O VAL A 40 -3.316 9.411 -4.169 1.00 0.00 O ATOM 627 CB VAL A 40 -1.994 7.538 -2.495 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.109 7.209 -1.318 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.390 6.272 -3.209 1.00 0.00 C ATOM 0 H VAL A 40 -4.471 6.689 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.883 9.136 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.434 8.169 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.239 6.650 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.782 8.132 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.666 6.607 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.494 5.731 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.981 5.646 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.982 6.521 -4.090 1.00 0.00 H new ATOM 639 N THR A 41 -5.279 8.873 -3.212 1.00 0.00 N ATOM 640 CA THR A 41 -6.093 9.449 -4.260 1.00 0.00 C ATOM 641 C THR A 41 -5.859 10.968 -4.270 1.00 0.00 C ATOM 642 O THR A 41 -5.915 11.622 -5.309 1.00 0.00 O ATOM 643 CB THR A 41 -7.592 9.157 -4.002 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.767 7.760 -3.741 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.427 9.523 -5.213 1.00 0.00 C ATOM 0 H THR A 41 -5.813 8.442 -2.457 1.00 0.00 H new ATOM 0 HA THR A 41 -5.818 9.013 -5.220 1.00 0.00 H new ATOM 0 HB THR A 41 -7.914 9.752 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.929 7.624 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.476 9.310 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.308 10.585 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.098 8.938 -6.072 1.00 0.00 H new ATOM 653 N THR A 42 -5.562 11.500 -3.092 1.00 0.00 N ATOM 654 CA THR A 42 -5.254 12.896 -2.915 1.00 0.00 C ATOM 655 C THR A 42 -3.873 13.247 -3.551 1.00 0.00 C ATOM 656 O THR A 42 -3.635 14.382 -3.947 1.00 0.00 O ATOM 657 CB THR A 42 -5.300 13.280 -1.397 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.033 14.669 -1.203 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.317 12.453 -0.576 1.00 0.00 C ATOM 0 H THR A 42 -5.530 10.960 -2.227 1.00 0.00 H new ATOM 0 HA THR A 42 -6.011 13.485 -3.433 1.00 0.00 H new ATOM 0 HB THR A 42 -6.311 13.063 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.070 14.879 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.379 12.749 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.564 11.396 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.304 12.623 -0.942 1.00 0.00 H new ATOM 667 N GLY A 43 -3.002 12.252 -3.674 1.00 0.00 N ATOM 668 CA GLY A 43 -1.693 12.451 -4.280 1.00 0.00 C ATOM 669 C GLY A 43 -1.623 11.712 -5.590 1.00 0.00 C ATOM 670 O GLY A 43 -0.612 11.084 -5.933 1.00 0.00 O ATOM 0 H GLY A 43 -3.180 11.298 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.514 13.514 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.912 12.094 -3.608 1.00 0.00 H new ATOM 674 N LYS A 44 -2.714 11.807 -6.323 1.00 0.00 N ATOM 675 CA LYS A 44 -2.942 11.111 -7.549 1.00 0.00 C ATOM 676 C LYS A 44 -1.876 11.381 -8.609 1.00 0.00 C ATOM 677 O LYS A 44 -1.554 10.502 -9.398 1.00 0.00 O ATOM 678 CB LYS A 44 -4.303 11.515 -8.048 1.00 0.00 C ATOM 679 CG LYS A 44 -4.724 10.833 -9.298 1.00 0.00 C ATOM 680 CD LYS A 44 -6.111 11.213 -9.694 1.00 0.00 C ATOM 681 CE LYS A 44 -7.141 10.784 -8.656 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.507 11.100 -9.090 1.00 0.00 N ATOM 0 H LYS A 44 -3.497 12.404 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.888 10.039 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.038 11.308 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.310 12.592 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.033 11.088 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.668 9.753 -9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.165 12.293 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.352 10.756 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.054 9.712 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.934 11.283 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.177 10.857 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.578 12.116 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.736 10.551 -9.943 1.00 0.00 H new ATOM 696 N SER A 45 -1.314 12.570 -8.591 1.00 0.00 N ATOM 697 CA SER A 45 -0.317 12.968 -9.563 1.00 0.00 C ATOM 698 C SER A 45 0.962 12.115 -9.457 1.00 0.00 C ATOM 699 O SER A 45 1.742 12.010 -10.417 1.00 0.00 O ATOM 700 CB SER A 45 -0.006 14.457 -9.394 1.00 0.00 C ATOM 701 OG SER A 45 0.439 14.741 -8.071 1.00 0.00 O ATOM 0 H SER A 45 -1.535 13.289 -7.902 1.00 0.00 H new ATOM 0 HA SER A 45 -0.722 12.798 -10.561 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.759 14.755 -10.110 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.897 15.045 -9.616 1.00 0.00 H new ATOM 0 HG SER A 45 0.633 15.698 -7.989 1.00 0.00 H new ATOM 707 N PHE A 46 1.168 11.508 -8.303 1.00 0.00 N ATOM 708 CA PHE A 46 2.327 10.674 -8.077 1.00 0.00 C ATOM 709 C PHE A 46 1.987 9.208 -8.317 1.00 0.00 C ATOM 710 O PHE A 46 2.732 8.484 -8.987 1.00 0.00 O ATOM 711 CB PHE A 46 2.846 10.838 -6.636 1.00 0.00 C ATOM 712 CG PHE A 46 3.277 12.234 -6.270 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.574 12.657 -6.508 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.386 13.117 -5.677 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.976 13.933 -6.164 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.780 14.394 -5.332 1.00 0.00 C ATOM 717 CZ PHE A 46 4.078 14.803 -5.576 1.00 0.00 C ATOM 0 H PHE A 46 0.540 11.580 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 46 3.101 10.988 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.063 10.523 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.690 10.163 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.280 11.981 -6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.372 12.801 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.991 14.250 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.076 15.072 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.390 15.802 -5.307 1.00 0.00 H new ATOM 727 N TYR A 47 0.864 8.780 -7.770 1.00 0.00 N ATOM 728 CA TYR A 47 0.478 7.384 -7.809 1.00 0.00 C ATOM 729 C TYR A 47 -0.376 7.010 -9.031 1.00 0.00 C ATOM 730 O TYR A 47 0.141 6.440 -10.005 1.00 0.00 O ATOM 731 CB TYR A 47 -0.205 6.989 -6.486 1.00 0.00 C ATOM 732 CG TYR A 47 0.704 7.187 -5.286 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.842 8.437 -4.694 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.441 6.135 -4.765 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.692 8.635 -3.631 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.290 6.324 -3.691 1.00 0.00 C ATOM 737 CZ TYR A 47 2.413 7.580 -3.133 1.00 0.00 C ATOM 738 OH TYR A 47 3.272 7.782 -2.078 1.00 0.00 O ATOM 0 H TYR A 47 0.199 9.386 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 47 1.394 6.804 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.110 7.583 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.514 5.945 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.270 9.270 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.350 5.153 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.791 9.616 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.854 5.494 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 47 3.182 7.046 -1.437 1.00 0.00 H new ATOM 748 N GLY A 48 -1.651 7.370 -9.009 1.00 0.00 N ATOM 749 CA GLY A 48 -2.565 6.946 -10.062 1.00 0.00 C ATOM 750 C GLY A 48 -2.621 7.909 -11.206 1.00 0.00 C ATOM 751 O GLY A 48 -3.658 8.519 -11.479 1.00 0.00 O ATOM 0 H GLY A 48 -2.074 7.948 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.257 5.968 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.564 6.828 -9.643 1.00 0.00 H new ATOM 755 N SER A 49 -1.520 8.055 -11.858 1.00 0.00 N ATOM 756 CA SER A 49 -1.401 8.937 -12.984 1.00 0.00 C ATOM 757 C SER A 49 -0.441 8.288 -13.977 1.00 0.00 C ATOM 758 O SER A 49 0.070 8.931 -14.909 1.00 0.00 O ATOM 759 CB SER A 49 -0.849 10.291 -12.483 1.00 0.00 C ATOM 760 OG SER A 49 -0.812 11.276 -13.500 1.00 0.00 O ATOM 0 H SER A 49 -0.659 7.560 -11.626 1.00 0.00 H new ATOM 0 HA SER A 49 -2.361 9.111 -13.471 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.467 10.648 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.156 10.145 -12.087 1.00 0.00 H new ATOM 0 HG SER A 49 -0.585 10.855 -14.355 1.00 0.00 H new ATOM 766 N GLY A 50 -0.232 6.982 -13.793 1.00 0.00 N ATOM 767 CA GLY A 50 0.751 6.273 -14.571 1.00 0.00 C ATOM 768 C GLY A 50 2.135 6.726 -14.184 1.00 0.00 C ATOM 769 O GLY A 50 3.056 6.734 -15.000 1.00 0.00 O ATOM 0 H GLY A 50 -0.733 6.409 -13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.651 5.200 -14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.584 6.451 -15.633 1.00 0.00 H new ATOM 773 N GLY A 51 2.275 7.105 -12.926 1.00 0.00 N ATOM 774 CA GLY A 51 3.514 7.633 -12.441 1.00 0.00 C ATOM 775 C GLY A 51 4.448 6.563 -11.961 1.00 0.00 C ATOM 776 O GLY A 51 4.157 5.370 -12.075 1.00 0.00 O ATOM 0 H GLY A 51 1.534 7.052 -12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.997 8.203 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.314 8.328 -11.626 1.00 0.00 H new ATOM 780 N ASP A 52 5.544 6.986 -11.392 1.00 0.00 N ATOM 781 CA ASP A 52 6.593 6.091 -10.905 1.00 0.00 C ATOM 782 C ASP A 52 6.125 5.336 -9.660 1.00 0.00 C ATOM 783 O ASP A 52 6.619 4.253 -9.340 1.00 0.00 O ATOM 784 CB ASP A 52 7.853 6.917 -10.616 1.00 0.00 C ATOM 785 CG ASP A 52 9.030 6.112 -10.123 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.581 5.294 -10.895 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.447 6.300 -8.968 1.00 0.00 O ATOM 0 H ASP A 52 5.749 7.974 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 52 6.822 5.345 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.144 7.443 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.611 7.676 -9.872 1.00 0.00 H new ATOM 792 N TYR A 53 5.133 5.888 -8.995 1.00 0.00 N ATOM 793 CA TYR A 53 4.585 5.294 -7.793 1.00 0.00 C ATOM 794 C TYR A 53 3.332 4.463 -8.092 1.00 0.00 C ATOM 795 O TYR A 53 2.612 4.064 -7.177 1.00 0.00 O ATOM 796 CB TYR A 53 4.249 6.376 -6.762 1.00 0.00 C ATOM 797 CG TYR A 53 5.437 7.156 -6.256 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.205 6.674 -5.206 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.787 8.370 -6.821 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.291 7.378 -4.735 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.870 9.083 -6.358 1.00 0.00 C ATOM 802 CZ TYR A 53 7.619 8.582 -5.311 1.00 0.00 C ATOM 803 OH TYR A 53 8.709 9.291 -4.847 1.00 0.00 O ATOM 0 H TYR A 53 4.683 6.761 -9.272 1.00 0.00 H new ATOM 0 HA TYR A 53 5.347 4.629 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.537 7.072 -7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.751 5.908 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.947 5.730 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.201 8.764 -7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.881 6.987 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.132 10.028 -6.810 1.00 0.00 H new ATOM 0 HH TYR A 53 8.804 10.119 -5.362 1.00 0.00 H new ATOM 813 N SER A 54 3.105 4.153 -9.359 1.00 0.00 N ATOM 814 CA SER A 54 1.910 3.417 -9.764 1.00 0.00 C ATOM 815 C SER A 54 1.954 1.945 -9.318 1.00 0.00 C ATOM 816 O SER A 54 0.954 1.241 -9.419 1.00 0.00 O ATOM 817 CB SER A 54 1.710 3.500 -11.286 1.00 0.00 C ATOM 818 OG SER A 54 0.498 2.863 -11.690 1.00 0.00 O ATOM 0 H SER A 54 3.730 4.398 -10.127 1.00 0.00 H new ATOM 0 HA SER A 54 1.063 3.888 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.694 4.545 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.555 3.031 -11.791 1.00 0.00 H new ATOM 0 HG SER A 54 0.277 2.149 -11.057 1.00 0.00 H new ATOM 824 N MET A 55 3.100 1.490 -8.830 1.00 0.00 N ATOM 825 CA MET A 55 3.227 0.099 -8.388 1.00 0.00 C ATOM 826 C MET A 55 2.743 -0.055 -6.972 1.00 0.00 C ATOM 827 O MET A 55 2.386 -1.141 -6.541 1.00 0.00 O ATOM 828 CB MET A 55 4.657 -0.408 -8.503 1.00 0.00 C ATOM 829 CG MET A 55 5.236 -0.285 -9.886 1.00 0.00 C ATOM 830 SD MET A 55 4.216 -1.073 -11.158 1.00 0.00 S ATOM 831 CE MET A 55 5.219 -0.798 -12.619 1.00 0.00 C ATOM 0 H MET A 55 3.946 2.050 -8.729 1.00 0.00 H new ATOM 0 HA MET A 55 2.604 -0.503 -9.049 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.286 0.145 -7.806 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.687 -1.454 -8.198 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.358 0.770 -10.129 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.230 -0.732 -9.898 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.721 -1.228 -13.488 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.354 0.273 -12.771 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.192 -1.271 -12.487 1.00 0.00 H new ATOM 841 N PHE A 56 2.729 1.044 -6.252 1.00 0.00 N ATOM 842 CA PHE A 56 2.262 1.045 -4.887 1.00 0.00 C ATOM 843 C PHE A 56 0.765 1.184 -4.914 1.00 0.00 C ATOM 844 O PHE A 56 0.055 0.686 -4.055 1.00 0.00 O ATOM 845 CB PHE A 56 2.868 2.226 -4.119 1.00 0.00 C ATOM 846 CG PHE A 56 4.365 2.266 -4.150 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.105 1.522 -3.269 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.026 3.049 -5.072 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.479 1.550 -3.296 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.399 3.087 -5.112 1.00 0.00 C ATOM 851 CZ PHE A 56 7.132 2.335 -4.222 1.00 0.00 C ATOM 0 H PHE A 56 3.038 1.954 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 56 2.559 0.121 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.481 3.155 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.537 2.180 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.600 0.903 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.457 3.641 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.046 0.958 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.902 3.706 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.211 2.360 -4.249 1.00 0.00 H new ATOM 861 N ALA A 57 0.303 1.863 -5.930 1.00 0.00 N ATOM 862 CA ALA A 57 -1.086 2.113 -6.127 1.00 0.00 C ATOM 863 C ALA A 57 -1.817 0.815 -6.417 1.00 0.00 C ATOM 864 O ALA A 57 -1.472 0.095 -7.356 1.00 0.00 O ATOM 865 CB ALA A 57 -1.265 3.097 -7.266 1.00 0.00 C ATOM 0 H ALA A 57 0.900 2.263 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.509 2.544 -5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.327 3.289 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.759 4.031 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.838 2.680 -8.178 1.00 0.00 H new ATOM 871 N GLY A 58 -2.787 0.505 -5.590 1.00 0.00 N ATOM 872 CA GLY A 58 -3.579 -0.676 -5.774 1.00 0.00 C ATOM 873 C GLY A 58 -2.881 -1.915 -5.284 1.00 0.00 C ATOM 874 O GLY A 58 -3.248 -3.033 -5.655 1.00 0.00 O ATOM 0 H GLY A 58 -3.044 1.064 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.525 -0.562 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.817 -0.790 -6.832 1.00 0.00 H new ATOM 878 N LYS A 59 -1.855 -1.740 -4.488 1.00 0.00 N ATOM 879 CA LYS A 59 -1.105 -2.863 -4.005 1.00 0.00 C ATOM 880 C LYS A 59 -0.561 -2.593 -2.607 1.00 0.00 C ATOM 881 O LYS A 59 -0.230 -1.456 -2.272 1.00 0.00 O ATOM 882 CB LYS A 59 0.030 -3.165 -5.017 1.00 0.00 C ATOM 883 CG LYS A 59 0.931 -4.363 -4.709 1.00 0.00 C ATOM 884 CD LYS A 59 0.175 -5.676 -4.536 1.00 0.00 C ATOM 885 CE LYS A 59 -0.730 -6.015 -5.723 1.00 0.00 C ATOM 886 NZ LYS A 59 0.033 -6.205 -6.970 1.00 0.00 N ATOM 0 H LYS A 59 -1.524 -0.831 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.751 -3.737 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.422 -3.323 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.659 -2.278 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.656 -4.476 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.495 -4.157 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.892 -6.484 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.430 -5.622 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.292 -6.922 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.458 -5.215 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.621 -6.433 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.549 -5.331 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.710 -6.985 -6.847 1.00 0.00 H new ATOM 900 N ASP A 60 -0.532 -3.610 -1.769 1.00 0.00 N ATOM 901 CA ASP A 60 0.169 -3.478 -0.508 1.00 0.00 C ATOM 902 C ASP A 60 1.644 -3.521 -0.846 1.00 0.00 C ATOM 903 O ASP A 60 2.099 -4.413 -1.583 1.00 0.00 O ATOM 904 CB ASP A 60 -0.194 -4.587 0.490 1.00 0.00 C ATOM 905 CG ASP A 60 0.482 -4.398 1.859 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.710 -4.534 1.941 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.220 -4.116 2.869 1.00 0.00 O ATOM 0 H ASP A 60 -0.973 -4.515 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.112 -2.546 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.276 -4.610 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.097 -5.552 0.076 1.00 0.00 H new ATOM 912 N ALA A 61 2.372 -2.584 -0.351 1.00 0.00 N ATOM 913 CA ALA A 61 3.731 -2.407 -0.751 1.00 0.00 C ATOM 914 C ALA A 61 4.708 -2.655 0.377 1.00 0.00 C ATOM 915 O ALA A 61 5.837 -2.187 0.310 1.00 0.00 O ATOM 916 CB ALA A 61 3.893 -1.000 -1.277 1.00 0.00 C ATOM 0 H ALA A 61 2.045 -1.914 0.345 1.00 0.00 H new ATOM 0 HA ALA A 61 3.958 -3.141 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.926 -0.845 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.231 -0.852 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.639 -0.287 -0.493 1.00 0.00 H new ATOM 922 N SER A 62 4.318 -3.443 1.362 1.00 0.00 N ATOM 923 CA SER A 62 5.171 -3.696 2.522 1.00 0.00 C ATOM 924 C SER A 62 6.580 -4.221 2.121 1.00 0.00 C ATOM 925 O SER A 62 7.593 -3.727 2.610 1.00 0.00 O ATOM 926 CB SER A 62 4.485 -4.663 3.474 1.00 0.00 C ATOM 927 OG SER A 62 3.247 -4.142 3.922 1.00 0.00 O ATOM 0 H SER A 62 3.417 -3.921 1.387 1.00 0.00 H new ATOM 0 HA SER A 62 5.325 -2.743 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.322 -5.617 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.132 -4.858 4.329 1.00 0.00 H new ATOM 0 HG SER A 62 2.515 -4.575 3.435 1.00 0.00 H new ATOM 933 N ARG A 63 6.636 -5.179 1.216 1.00 0.00 N ATOM 934 CA ARG A 63 7.926 -5.688 0.747 1.00 0.00 C ATOM 935 C ARG A 63 8.588 -4.693 -0.205 1.00 0.00 C ATOM 936 O ARG A 63 9.800 -4.488 -0.159 1.00 0.00 O ATOM 937 CB ARG A 63 7.766 -7.050 0.056 1.00 0.00 C ATOM 938 CG ARG A 63 9.047 -7.573 -0.587 1.00 0.00 C ATOM 939 CD ARG A 63 8.837 -8.905 -1.280 1.00 0.00 C ATOM 940 NE ARG A 63 9.985 -9.256 -2.124 1.00 0.00 N ATOM 941 CZ ARG A 63 10.155 -10.419 -2.763 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.381 -11.464 -2.502 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.135 -10.539 -3.633 1.00 0.00 N ATOM 0 H ARG A 63 5.820 -5.620 0.791 1.00 0.00 H new ATOM 0 HA ARG A 63 8.566 -5.818 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.415 -7.778 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.994 -6.969 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.413 -6.843 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.817 -7.680 0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.680 -9.684 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.935 -8.861 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 63 10.716 -8.553 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.641 -11.389 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.526 -12.343 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.756 -9.750 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.274 -11.421 -4.126 1.00 0.00 H new ATOM 957 N ALA A 64 7.767 -4.022 -1.005 1.00 0.00 N ATOM 958 CA ALA A 64 8.253 -3.128 -2.077 1.00 0.00 C ATOM 959 C ALA A 64 9.016 -2.005 -1.487 1.00 0.00 C ATOM 960 O ALA A 64 10.059 -1.610 -1.977 1.00 0.00 O ATOM 961 CB ALA A 64 7.098 -2.564 -2.876 1.00 0.00 C ATOM 0 H ALA A 64 6.750 -4.074 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 64 8.893 -3.712 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.482 -1.909 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.536 -3.381 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.443 -1.995 -2.216 1.00 0.00 H new ATOM 967 N LEU A 65 8.485 -1.524 -0.419 1.00 0.00 N ATOM 968 CA LEU A 65 9.027 -0.454 0.329 1.00 0.00 C ATOM 969 C LEU A 65 10.415 -0.746 0.874 1.00 0.00 C ATOM 970 O LEU A 65 11.282 0.119 0.856 1.00 0.00 O ATOM 971 CB LEU A 65 8.064 -0.107 1.427 1.00 0.00 C ATOM 972 CG LEU A 65 6.771 0.597 1.012 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.925 0.908 2.213 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.091 1.852 0.276 1.00 0.00 C ATOM 0 H LEU A 65 7.616 -1.887 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 65 9.159 0.399 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.798 -1.026 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.582 0.529 2.145 1.00 0.00 H new ATOM 0 HG LEU A 65 6.209 -0.070 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.011 1.408 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.671 -0.018 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.478 1.560 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.166 2.348 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.670 2.514 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.672 1.613 -0.615 1.00 0.00 H new ATOM 986 N GLY A 66 10.636 -1.954 1.330 1.00 0.00 N ATOM 987 CA GLY A 66 11.931 -2.275 1.882 1.00 0.00 C ATOM 988 C GLY A 66 12.932 -2.615 0.819 1.00 0.00 C ATOM 989 O GLY A 66 14.136 -2.455 1.010 1.00 0.00 O ATOM 0 H GLY A 66 9.956 -2.715 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.296 -1.429 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.833 -3.116 2.569 1.00 0.00 H new ATOM 993 N LYS A 67 12.444 -3.079 -0.302 1.00 0.00 N ATOM 994 CA LYS A 67 13.307 -3.442 -1.407 1.00 0.00 C ATOM 995 C LYS A 67 13.640 -2.214 -2.242 1.00 0.00 C ATOM 996 O LYS A 67 14.719 -2.122 -2.827 1.00 0.00 O ATOM 997 CB LYS A 67 12.615 -4.479 -2.302 1.00 0.00 C ATOM 998 CG LYS A 67 12.148 -5.751 -1.594 1.00 0.00 C ATOM 999 CD LYS A 67 13.278 -6.511 -0.931 1.00 0.00 C ATOM 1000 CE LYS A 67 14.355 -6.901 -1.909 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.436 -7.655 -1.251 1.00 0.00 N ATOM 0 H LYS A 67 11.449 -3.217 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 67 14.225 -3.865 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.752 -4.009 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.301 -4.760 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.404 -5.489 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.655 -6.402 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.712 -5.897 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.880 -7.407 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.922 -7.505 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.766 -6.005 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.337 -7.465 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.509 -7.361 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.227 -8.673 -1.296 1.00 0.00 H new ATOM 1015 N MET A 68 12.673 -1.290 -2.293 1.00 0.00 N ATOM 1016 CA MET A 68 12.710 -0.041 -3.086 1.00 0.00 C ATOM 1017 C MET A 68 12.483 -0.403 -4.514 1.00 0.00 C ATOM 1018 O MET A 68 12.772 0.351 -5.439 1.00 0.00 O ATOM 1019 CB MET A 68 14.014 0.756 -2.922 1.00 0.00 C ATOM 1020 CG MET A 68 14.310 1.163 -1.500 1.00 0.00 C ATOM 1021 SD MET A 68 15.745 2.257 -1.366 1.00 0.00 S ATOM 1022 CE MET A 68 15.191 3.681 -2.323 1.00 0.00 C ATOM 0 H MET A 68 11.806 -1.390 -1.764 1.00 0.00 H new ATOM 0 HA MET A 68 11.927 0.622 -2.718 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.844 0.157 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.961 1.651 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.437 1.664 -1.081 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.483 0.270 -0.900 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.783 4.555 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.315 3.476 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.139 3.875 -2.112 1.00 0.00 H new ATOM 1032 N SER A 69 11.904 -1.544 -4.668 1.00 0.00 N ATOM 1033 CA SER A 69 11.670 -2.131 -5.919 1.00 0.00 C ATOM 1034 C SER A 69 10.237 -1.958 -6.325 1.00 0.00 C ATOM 1035 O SER A 69 9.315 -2.100 -5.524 1.00 0.00 O ATOM 1036 CB SER A 69 12.050 -3.585 -5.848 1.00 0.00 C ATOM 1037 OG SER A 69 13.415 -3.737 -5.465 1.00 0.00 O ATOM 0 H SER A 69 11.571 -2.108 -3.886 1.00 0.00 H new ATOM 0 HA SER A 69 12.279 -1.640 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.408 -4.098 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.886 -4.056 -6.817 1.00 0.00 H new ATOM 0 HG SER A 69 13.639 -4.690 -5.424 1.00 0.00 H new ATOM 1043 N LYS A 70 10.083 -1.639 -7.560 1.00 0.00 N ATOM 1044 CA LYS A 70 8.822 -1.354 -8.169 1.00 0.00 C ATOM 1045 C LYS A 70 8.390 -2.536 -9.002 1.00 0.00 C ATOM 1046 O LYS A 70 7.246 -2.629 -9.439 1.00 0.00 O ATOM 1047 CB LYS A 70 9.052 -0.150 -9.022 1.00 0.00 C ATOM 1048 CG LYS A 70 9.543 1.021 -8.206 1.00 0.00 C ATOM 1049 CD LYS A 70 10.261 2.011 -9.059 1.00 0.00 C ATOM 1050 CE LYS A 70 10.647 3.248 -8.273 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.360 4.245 -9.102 1.00 0.00 N ATOM 0 H LYS A 70 10.866 -1.565 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 70 8.035 -1.169 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.781 -0.386 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.125 0.121 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.699 1.505 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.208 0.666 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.156 1.551 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.627 2.296 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.750 3.703 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.279 2.959 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.423 5.145 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.318 3.900 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.841 4.392 -9.991 1.00 0.00 H new ATOM 1065 N ASN A 71 9.325 -3.426 -9.232 1.00 0.00 N ATOM 1066 CA ASN A 71 9.054 -4.661 -9.943 1.00 0.00 C ATOM 1067 C ASN A 71 8.053 -5.511 -9.209 1.00 0.00 C ATOM 1068 O ASN A 71 8.113 -5.648 -7.985 1.00 0.00 O ATOM 1069 CB ASN A 71 10.330 -5.460 -10.240 1.00 0.00 C ATOM 1070 CG ASN A 71 11.200 -5.704 -9.031 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.050 -4.884 -8.688 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.030 -6.833 -8.418 1.00 0.00 N ATOM 0 H ASN A 71 10.295 -3.319 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 71 8.622 -4.375 -10.902 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.052 -6.420 -10.674 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.912 -4.928 -10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.614 -7.071 -7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.312 -7.484 -8.737 1.00 0.00 H new ATOM 1079 N GLU A 72 7.181 -6.125 -9.979 1.00 0.00 N ATOM 1080 CA GLU A 72 6.061 -6.922 -9.495 1.00 0.00 C ATOM 1081 C GLU A 72 6.498 -8.056 -8.572 1.00 0.00 C ATOM 1082 O GLU A 72 5.740 -8.488 -7.693 1.00 0.00 O ATOM 1083 CB GLU A 72 5.307 -7.499 -10.693 1.00 0.00 C ATOM 1084 CG GLU A 72 6.179 -8.313 -11.648 1.00 0.00 C ATOM 1085 CD GLU A 72 5.405 -8.967 -12.761 1.00 0.00 C ATOM 1086 OE1 GLU A 72 4.827 -10.040 -12.531 1.00 0.00 O ATOM 1087 OE2 GLU A 72 5.367 -8.433 -13.893 1.00 0.00 O ATOM 0 H GLU A 72 7.229 -6.085 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 72 5.418 -6.265 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.498 -8.132 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.847 -6.681 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.938 -7.660 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.704 -9.082 -11.081 1.00 0.00 H new ATOM 1094 N GLU A 73 7.706 -8.517 -8.778 1.00 0.00 N ATOM 1095 CA GLU A 73 8.289 -9.565 -7.991 1.00 0.00 C ATOM 1096 C GLU A 73 8.474 -9.118 -6.532 1.00 0.00 C ATOM 1097 O GLU A 73 8.242 -9.883 -5.603 1.00 0.00 O ATOM 1098 CB GLU A 73 9.631 -9.938 -8.605 1.00 0.00 C ATOM 1099 CG GLU A 73 10.348 -11.067 -7.926 1.00 0.00 C ATOM 1100 CD GLU A 73 9.569 -12.349 -7.970 1.00 0.00 C ATOM 1101 OE1 GLU A 73 9.687 -13.087 -8.965 1.00 0.00 O ATOM 1102 OE2 GLU A 73 8.822 -12.643 -7.020 1.00 0.00 O ATOM 0 H GLU A 73 8.320 -8.165 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 73 7.626 -10.430 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.474 -10.204 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.276 -9.059 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.317 -11.217 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.542 -10.798 -6.888 1.00 0.00 H new ATOM 1109 N ASP A 74 8.855 -7.878 -6.339 1.00 0.00 N ATOM 1110 CA ASP A 74 9.137 -7.398 -5.002 1.00 0.00 C ATOM 1111 C ASP A 74 8.011 -6.580 -4.422 1.00 0.00 C ATOM 1112 O ASP A 74 8.080 -6.163 -3.272 1.00 0.00 O ATOM 1113 CB ASP A 74 10.472 -6.641 -4.915 1.00 0.00 C ATOM 1114 CG ASP A 74 11.690 -7.544 -5.056 1.00 0.00 C ATOM 1115 OD1 ASP A 74 12.154 -8.101 -4.038 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.206 -7.704 -6.180 1.00 0.00 O ATOM 0 H ASP A 74 8.977 -7.187 -7.080 1.00 0.00 H new ATOM 0 HA ASP A 74 9.230 -8.294 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.501 -5.880 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.524 -6.120 -3.959 1.00 0.00 H new ATOM 1121 N VAL A 75 6.972 -6.342 -5.191 1.00 0.00 N ATOM 1122 CA VAL A 75 5.842 -5.617 -4.636 1.00 0.00 C ATOM 1123 C VAL A 75 4.897 -6.632 -4.050 1.00 0.00 C ATOM 1124 O VAL A 75 4.344 -7.474 -4.772 1.00 0.00 O ATOM 1125 CB VAL A 75 5.114 -4.696 -5.645 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.152 -3.790 -4.926 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.091 -3.879 -6.433 1.00 0.00 C ATOM 0 H VAL A 75 6.881 -6.626 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 75 6.220 -4.934 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 75 4.560 -5.330 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.648 -3.148 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.413 -4.391 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.698 -3.173 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.551 -3.242 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.676 -3.258 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.758 -4.542 -6.985 1.00 0.00 H new ATOM 1137 N SER A 76 4.719 -6.564 -2.755 1.00 0.00 N ATOM 1138 CA SER A 76 4.057 -7.592 -2.008 1.00 0.00 C ATOM 1139 C SER A 76 3.636 -7.112 -0.603 1.00 0.00 C ATOM 1140 O SER A 76 4.250 -6.184 -0.051 1.00 0.00 O ATOM 1141 CB SER A 76 5.021 -8.754 -1.883 1.00 0.00 C ATOM 1142 OG SER A 76 5.148 -9.496 -3.091 1.00 0.00 O ATOM 0 H SER A 76 5.036 -5.779 -2.186 1.00 0.00 H new ATOM 0 HA SER A 76 3.144 -7.881 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.001 -8.378 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.682 -9.418 -1.088 1.00 0.00 H new ATOM 0 HG SER A 76 4.761 -8.984 -3.832 1.00 0.00 H new ATOM 1148 N PRO A 77 2.592 -7.773 -0.006 1.00 0.00 N ATOM 1149 CA PRO A 77 2.018 -7.394 1.309 1.00 0.00 C ATOM 1150 C PRO A 77 2.804 -7.898 2.541 1.00 0.00 C ATOM 1151 O PRO A 77 2.529 -7.490 3.678 1.00 0.00 O ATOM 1152 CB PRO A 77 0.640 -8.063 1.272 1.00 0.00 C ATOM 1153 CG PRO A 77 0.845 -9.289 0.452 1.00 0.00 C ATOM 1154 CD PRO A 77 1.858 -8.927 -0.598 1.00 0.00 C ATOM 0 HA PRO A 77 2.022 -6.311 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.291 -8.310 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.108 -7.407 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.201 -10.114 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.090 -9.613 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.528 -9.760 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.379 -8.655 -1.539 1.00 0.00 H new ATOM 1162 N SER A 78 3.745 -8.762 2.335 1.00 0.00 N ATOM 1163 CA SER A 78 4.496 -9.326 3.432 1.00 0.00 C ATOM 1164 C SER A 78 5.866 -8.766 3.492 1.00 0.00 C ATOM 1165 O SER A 78 6.328 -8.141 2.549 1.00 0.00 O ATOM 1166 CB SER A 78 4.520 -10.835 3.319 1.00 0.00 C ATOM 1167 OG SER A 78 3.198 -11.364 3.362 1.00 0.00 O ATOM 0 H SER A 78 4.020 -9.101 1.413 1.00 0.00 H new ATOM 0 HA SER A 78 4.001 -9.057 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.004 -11.127 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.112 -11.256 4.131 1.00 0.00 H new ATOM 0 HG SER A 78 3.234 -12.340 3.286 1.00 0.00 H new ATOM 1173 N LEU A 79 6.519 -8.970 4.617 1.00 0.00 N ATOM 1174 CA LEU A 79 7.837 -8.462 4.789 1.00 0.00 C ATOM 1175 C LEU A 79 8.864 -9.488 4.366 1.00 0.00 C ATOM 1176 O LEU A 79 10.052 -9.286 4.514 1.00 0.00 O ATOM 1177 CB LEU A 79 8.082 -7.959 6.212 1.00 0.00 C ATOM 1178 CG LEU A 79 7.104 -6.894 6.738 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.639 -6.192 7.979 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.755 -5.903 5.668 1.00 0.00 C ATOM 0 H LEU A 79 6.148 -9.484 5.416 1.00 0.00 H new ATOM 0 HA LEU A 79 7.944 -7.594 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.051 -8.814 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.091 -7.550 6.261 1.00 0.00 H new ATOM 0 HG LEU A 79 6.191 -7.414 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.917 -5.449 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.802 -6.924 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.582 -5.700 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.063 -5.163 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.661 -5.404 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.287 -6.421 4.831 1.00 0.00 H new ATOM 1192 N GLU A 80 8.360 -10.600 3.852 1.00 0.00 N ATOM 1193 CA GLU A 80 9.124 -11.644 3.212 1.00 0.00 C ATOM 1194 C GLU A 80 10.143 -12.292 4.153 1.00 0.00 C ATOM 1195 O GLU A 80 9.848 -13.280 4.835 1.00 0.00 O ATOM 1196 CB GLU A 80 9.798 -11.078 1.964 1.00 0.00 C ATOM 1197 CG GLU A 80 10.349 -12.105 1.035 1.00 0.00 C ATOM 1198 CD GLU A 80 9.270 -13.027 0.530 1.00 0.00 C ATOM 1199 OE1 GLU A 80 8.375 -12.561 -0.201 1.00 0.00 O ATOM 1200 OE2 GLU A 80 9.281 -14.220 0.878 1.00 0.00 O ATOM 0 H GLU A 80 7.360 -10.802 3.874 1.00 0.00 H new ATOM 0 HA GLU A 80 8.438 -12.441 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.075 -10.468 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.607 -10.416 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.832 -11.612 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.116 -12.686 1.547 1.00 0.00 H new ATOM 1207 N GLY A 81 11.297 -11.710 4.210 1.00 0.00 N ATOM 1208 CA GLY A 81 12.346 -12.171 5.032 1.00 0.00 C ATOM 1209 C GLY A 81 13.393 -11.111 5.099 1.00 0.00 C ATOM 1210 O GLY A 81 14.597 -11.381 5.057 1.00 0.00 O ATOM 0 H GLY A 81 11.533 -10.879 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.973 -12.399 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.765 -13.093 4.630 1.00 0.00 H new ATOM 1214 N LEU A 82 12.920 -9.901 5.191 1.00 0.00 N ATOM 1215 CA LEU A 82 13.737 -8.722 5.156 1.00 0.00 C ATOM 1216 C LEU A 82 14.533 -8.531 6.433 1.00 0.00 C ATOM 1217 O LEU A 82 14.019 -8.700 7.553 1.00 0.00 O ATOM 1218 CB LEU A 82 12.852 -7.508 4.862 1.00 0.00 C ATOM 1219 CG LEU A 82 12.148 -7.532 3.501 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.173 -6.388 3.363 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.150 -7.440 2.411 1.00 0.00 C ATOM 0 H LEU A 82 11.925 -9.702 5.296 1.00 0.00 H new ATOM 0 HA LEU A 82 14.472 -8.837 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.096 -7.431 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.464 -6.608 4.921 1.00 0.00 H new ATOM 0 HG LEU A 82 11.599 -8.471 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.692 -6.436 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.416 -6.459 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.706 -5.442 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.642 -7.458 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.710 -6.510 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.836 -8.285 2.475 1.00 0.00 H new ATOM 1233 N THR A 83 15.786 -8.201 6.263 1.00 0.00 N ATOM 1234 CA THR A 83 16.666 -7.913 7.354 1.00 0.00 C ATOM 1235 C THR A 83 16.432 -6.473 7.786 1.00 0.00 C ATOM 1236 O THR A 83 15.624 -5.780 7.176 1.00 0.00 O ATOM 1237 CB THR A 83 18.112 -8.085 6.899 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.321 -7.290 5.725 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.408 -9.539 6.583 1.00 0.00 C ATOM 0 H THR A 83 16.227 -8.125 5.346 1.00 0.00 H new ATOM 0 HA THR A 83 16.474 -8.590 8.186 1.00 0.00 H new ATOM 0 HB THR A 83 18.779 -7.765 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.248 -7.390 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.445 -9.638 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.246 -10.145 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.746 -9.880 5.787 1.00 0.00 H new ATOM 1247 N GLU A 84 17.127 -6.008 8.795 1.00 0.00 N ATOM 1248 CA GLU A 84 16.908 -4.663 9.274 1.00 0.00 C ATOM 1249 C GLU A 84 17.291 -3.588 8.269 1.00 0.00 C ATOM 1250 O GLU A 84 16.668 -2.553 8.245 1.00 0.00 O ATOM 1251 CB GLU A 84 17.491 -4.427 10.649 1.00 0.00 C ATOM 1252 CG GLU A 84 16.812 -5.262 11.715 1.00 0.00 C ATOM 1253 CD GLU A 84 17.328 -4.984 13.096 1.00 0.00 C ATOM 1254 OE1 GLU A 84 18.388 -5.520 13.459 1.00 0.00 O ATOM 1255 OE2 GLU A 84 16.664 -4.247 13.857 1.00 0.00 O ATOM 0 H GLU A 84 17.842 -6.534 9.297 1.00 0.00 H new ATOM 0 HA GLU A 84 15.828 -4.570 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.556 -4.658 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.398 -3.371 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.739 -5.071 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.954 -6.318 11.486 1.00 0.00 H new ATOM 1262 N LYS A 85 18.287 -3.847 7.434 1.00 0.00 N ATOM 1263 CA LYS A 85 18.645 -2.905 6.350 1.00 0.00 C ATOM 1264 C LYS A 85 17.423 -2.655 5.481 1.00 0.00 C ATOM 1265 O LYS A 85 16.990 -1.511 5.244 1.00 0.00 O ATOM 1266 CB LYS A 85 19.676 -3.553 5.441 1.00 0.00 C ATOM 1267 CG LYS A 85 19.972 -2.733 4.195 1.00 0.00 C ATOM 1268 CD LYS A 85 20.702 -3.551 3.161 1.00 0.00 C ATOM 1269 CE LYS A 85 22.056 -4.025 3.669 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.772 -4.827 2.662 1.00 0.00 N ATOM 0 H LYS A 85 18.864 -4.688 7.474 1.00 0.00 H new ATOM 0 HA LYS A 85 19.021 -1.985 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.601 -3.702 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.320 -4.540 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.039 -2.359 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.572 -1.863 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.095 -4.413 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.840 -2.956 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.663 -3.162 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.917 -4.618 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.689 -5.130 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.205 -5.664 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.928 -4.254 1.808 1.00 0.00 H new ATOM 1284 N GLU A 86 16.885 -3.751 5.038 1.00 0.00 N ATOM 1285 CA GLU A 86 15.758 -3.808 4.180 1.00 0.00 C ATOM 1286 C GLU A 86 14.550 -3.215 4.867 1.00 0.00 C ATOM 1287 O GLU A 86 13.881 -2.317 4.354 1.00 0.00 O ATOM 1288 CB GLU A 86 15.484 -5.262 3.947 1.00 0.00 C ATOM 1289 CG GLU A 86 16.565 -6.048 3.215 1.00 0.00 C ATOM 1290 CD GLU A 86 16.811 -5.590 1.799 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.611 -4.669 1.591 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.234 -6.181 0.863 1.00 0.00 O ATOM 0 H GLU A 86 17.245 -4.673 5.283 1.00 0.00 H new ATOM 0 HA GLU A 86 15.949 -3.259 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.312 -5.736 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.557 -5.348 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.496 -5.973 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.286 -7.102 3.201 1.00 0.00 H new ATOM 1299 N ILE A 87 14.308 -3.712 6.035 1.00 0.00 N ATOM 1300 CA ILE A 87 13.202 -3.332 6.841 1.00 0.00 C ATOM 1301 C ILE A 87 13.196 -1.850 7.187 1.00 0.00 C ATOM 1302 O ILE A 87 12.180 -1.209 7.048 1.00 0.00 O ATOM 1303 CB ILE A 87 13.122 -4.220 8.092 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.460 -5.546 7.764 1.00 0.00 C ATOM 1305 CG2 ILE A 87 12.434 -3.539 9.255 1.00 0.00 C ATOM 1306 CD1 ILE A 87 10.999 -5.416 7.429 1.00 0.00 C ATOM 0 H ILE A 87 14.900 -4.421 6.468 1.00 0.00 H new ATOM 0 HA ILE A 87 12.301 -3.492 6.249 1.00 0.00 H new ATOM 0 HB ILE A 87 14.147 -4.409 8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.979 -6.005 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.572 -6.220 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 87 12.408 -4.216 10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 87 12.982 -2.636 9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 87 11.416 -3.274 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.588 -6.400 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.468 -4.986 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.881 -4.767 6.561 1.00 0.00 H new ATOM 1318 N ASN A 88 14.339 -1.313 7.605 1.00 0.00 N ATOM 1319 CA ASN A 88 14.442 0.123 7.951 1.00 0.00 C ATOM 1320 C ASN A 88 14.048 0.993 6.815 1.00 0.00 C ATOM 1321 O ASN A 88 13.492 2.070 7.013 1.00 0.00 O ATOM 1322 CB ASN A 88 15.835 0.535 8.434 1.00 0.00 C ATOM 1323 CG ASN A 88 16.067 0.314 9.925 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.791 1.191 10.743 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.581 -0.824 10.290 1.00 0.00 N ATOM 0 H ASN A 88 15.207 -1.837 7.716 1.00 0.00 H new ATOM 0 HA ASN A 88 13.746 0.262 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.583 -0.026 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.990 1.589 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 88 16.765 -1.007 11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.800 -1.533 9.590 1.00 0.00 H new ATOM 1332 N THR A 89 14.328 0.534 5.630 1.00 0.00 N ATOM 1333 CA THR A 89 13.986 1.252 4.454 1.00 0.00 C ATOM 1334 C THR A 89 12.442 1.410 4.353 1.00 0.00 C ATOM 1335 O THR A 89 11.931 2.518 4.195 1.00 0.00 O ATOM 1336 CB THR A 89 14.536 0.497 3.237 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.981 0.402 3.321 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.142 1.181 1.975 1.00 0.00 C ATOM 0 H THR A 89 14.802 -0.353 5.460 1.00 0.00 H new ATOM 0 HA THR A 89 14.424 2.250 4.487 1.00 0.00 H new ATOM 0 HB THR A 89 14.113 -0.508 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.226 -0.265 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.541 0.631 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.055 1.218 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.541 2.195 1.971 1.00 0.00 H new ATOM 1346 N LEU A 90 11.730 0.315 4.537 1.00 0.00 N ATOM 1347 CA LEU A 90 10.262 0.303 4.525 1.00 0.00 C ATOM 1348 C LEU A 90 9.700 0.954 5.771 1.00 0.00 C ATOM 1349 O LEU A 90 8.718 1.667 5.710 1.00 0.00 O ATOM 1350 CB LEU A 90 9.776 -1.130 4.420 1.00 0.00 C ATOM 1351 CG LEU A 90 8.553 -1.515 5.251 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.235 -1.101 4.634 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.590 -2.954 5.633 1.00 0.00 C ATOM 0 H LEU A 90 12.147 -0.601 4.701 1.00 0.00 H new ATOM 0 HA LEU A 90 9.914 0.875 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.551 -1.335 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.598 -1.787 4.704 1.00 0.00 H new ATOM 0 HG LEU A 90 8.614 -0.932 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.416 -1.410 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.214 -0.018 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.124 -1.577 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.706 -3.197 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.605 -3.569 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.485 -3.151 6.222 1.00 0.00 H new ATOM 1365 N ASN A 91 10.309 0.658 6.892 1.00 0.00 N ATOM 1366 CA ASN A 91 9.927 1.218 8.185 1.00 0.00 C ATOM 1367 C ASN A 91 9.922 2.761 8.107 1.00 0.00 C ATOM 1368 O ASN A 91 9.089 3.442 8.728 1.00 0.00 O ATOM 1369 CB ASN A 91 10.913 0.733 9.240 1.00 0.00 C ATOM 1370 CG ASN A 91 10.376 0.821 10.633 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.520 1.827 11.312 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.758 -0.253 11.067 1.00 0.00 N ATOM 0 H ASN A 91 11.097 0.013 6.943 1.00 0.00 H new ATOM 0 HA ASN A 91 8.923 0.889 8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.184 -0.301 9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.827 1.323 9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.372 -0.273 12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.664 -1.068 10.460 1.00 0.00 H new ATOM 1379 N ASP A 92 10.856 3.299 7.325 1.00 0.00 N ATOM 1380 CA ASP A 92 10.900 4.730 7.026 1.00 0.00 C ATOM 1381 C ASP A 92 9.741 5.103 6.105 1.00 0.00 C ATOM 1382 O ASP A 92 9.045 6.084 6.339 1.00 0.00 O ATOM 1383 CB ASP A 92 12.241 5.107 6.387 1.00 0.00 C ATOM 1384 CG ASP A 92 12.286 6.544 5.900 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.365 7.462 6.734 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.236 6.761 4.665 1.00 0.00 O ATOM 0 H ASP A 92 11.600 2.759 6.883 1.00 0.00 H new ATOM 0 HA ASP A 92 10.802 5.287 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.039 4.951 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.437 4.439 5.548 1.00 0.00 H new ATOM 1391 N TRP A 93 9.522 4.276 5.084 1.00 0.00 N ATOM 1392 CA TRP A 93 8.430 4.447 4.131 1.00 0.00 C ATOM 1393 C TRP A 93 7.072 4.497 4.762 1.00 0.00 C ATOM 1394 O TRP A 93 6.238 5.288 4.334 1.00 0.00 O ATOM 1395 CB TRP A 93 8.484 3.431 3.016 1.00 0.00 C ATOM 1396 CG TRP A 93 9.485 3.748 1.933 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.642 3.090 1.663 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.404 4.815 0.973 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.289 3.674 0.604 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.549 4.733 0.161 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.472 5.830 0.724 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.790 5.623 -0.881 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.713 6.713 -0.312 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.862 6.604 -1.102 1.00 0.00 C ATOM 0 H TRP A 93 10.105 3.460 4.894 1.00 0.00 H new ATOM 0 HA TRP A 93 8.589 5.433 3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.723 2.456 3.441 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.494 3.349 2.567 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.002 2.228 2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.179 3.367 0.211 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.582 5.921 1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.676 5.543 -1.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.002 7.500 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.020 7.310 -1.904 1.00 0.00 H new ATOM 1415 N GLU A 94 6.847 3.679 5.773 1.00 0.00 N ATOM 1416 CA GLU A 94 5.599 3.709 6.515 1.00 0.00 C ATOM 1417 C GLU A 94 5.320 5.135 6.944 1.00 0.00 C ATOM 1418 O GLU A 94 4.333 5.729 6.559 1.00 0.00 O ATOM 1419 CB GLU A 94 5.696 2.829 7.757 1.00 0.00 C ATOM 1420 CG GLU A 94 5.932 1.361 7.490 1.00 0.00 C ATOM 1421 CD GLU A 94 5.976 0.563 8.767 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.903 0.354 9.378 1.00 0.00 O ATOM 1423 OE2 GLU A 94 7.060 0.127 9.188 1.00 0.00 O ATOM 0 H GLU A 94 7.515 2.982 6.101 1.00 0.00 H new ATOM 0 HA GLU A 94 4.797 3.336 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.505 3.202 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.774 2.934 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.140 0.976 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.870 1.236 6.950 1.00 0.00 H new ATOM 1430 N THR A 95 6.276 5.677 7.651 1.00 0.00 N ATOM 1431 CA THR A 95 6.281 7.013 8.230 1.00 0.00 C ATOM 1432 C THR A 95 5.990 8.109 7.171 1.00 0.00 C ATOM 1433 O THR A 95 5.414 9.161 7.478 1.00 0.00 O ATOM 1434 CB THR A 95 7.694 7.263 8.800 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.088 6.122 9.603 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.727 8.517 9.667 1.00 0.00 C ATOM 0 H THR A 95 7.136 5.169 7.857 1.00 0.00 H new ATOM 0 HA THR A 95 5.504 7.066 8.993 1.00 0.00 H new ATOM 0 HB THR A 95 8.382 7.403 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.985 6.272 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.735 8.666 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.437 9.381 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.033 8.402 10.499 1.00 0.00 H new ATOM 1444 N LYS A 96 6.366 7.839 5.943 1.00 0.00 N ATOM 1445 CA LYS A 96 6.260 8.799 4.865 1.00 0.00 C ATOM 1446 C LYS A 96 4.831 8.904 4.424 1.00 0.00 C ATOM 1447 O LYS A 96 4.345 9.963 4.043 1.00 0.00 O ATOM 1448 CB LYS A 96 7.180 8.379 3.735 1.00 0.00 C ATOM 1449 CG LYS A 96 8.636 8.309 4.172 1.00 0.00 C ATOM 1450 CD LYS A 96 9.205 9.686 4.485 1.00 0.00 C ATOM 1451 CE LYS A 96 10.655 9.596 4.916 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.254 10.924 5.166 1.00 0.00 N ATOM 0 H LYS A 96 6.757 6.941 5.660 1.00 0.00 H new ATOM 0 HA LYS A 96 6.571 9.789 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.869 7.405 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.084 9.085 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.720 7.673 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.229 7.842 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.124 10.324 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.617 10.154 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.725 8.993 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.229 9.081 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.245 10.808 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.213 11.493 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.725 11.407 5.920 1.00 0.00 H new ATOM 1466 N PHE A 97 4.172 7.796 4.483 1.00 0.00 N ATOM 1467 CA PHE A 97 2.779 7.706 4.198 1.00 0.00 C ATOM 1468 C PHE A 97 1.967 8.077 5.433 1.00 0.00 C ATOM 1469 O PHE A 97 1.000 8.818 5.351 1.00 0.00 O ATOM 1470 CB PHE A 97 2.442 6.305 3.746 1.00 0.00 C ATOM 1471 CG PHE A 97 2.930 5.942 2.364 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.250 5.591 2.138 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.059 5.947 1.294 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.690 5.251 0.875 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.492 5.608 0.030 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.810 5.259 -0.180 1.00 0.00 C ATOM 0 H PHE A 97 4.598 6.905 4.737 1.00 0.00 H new ATOM 0 HA PHE A 97 2.530 8.404 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.864 5.598 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.360 6.181 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.947 5.583 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.026 6.220 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.723 4.979 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.798 5.616 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.149 4.993 -1.170 1.00 0.00 H new ATOM 1486 N GLU A 98 2.406 7.575 6.573 1.00 0.00 N ATOM 1487 CA GLU A 98 1.762 7.775 7.881 1.00 0.00 C ATOM 1488 C GLU A 98 1.581 9.240 8.260 1.00 0.00 C ATOM 1489 O GLU A 98 0.641 9.587 8.987 1.00 0.00 O ATOM 1490 CB GLU A 98 2.552 7.054 8.972 1.00 0.00 C ATOM 1491 CG GLU A 98 2.498 5.551 8.903 1.00 0.00 C ATOM 1492 CD GLU A 98 3.192 4.918 10.069 1.00 0.00 C ATOM 1493 OE1 GLU A 98 4.388 4.653 9.996 1.00 0.00 O ATOM 1494 OE2 GLU A 98 2.528 4.662 11.087 1.00 0.00 O ATOM 0 H GLU A 98 3.245 6.998 6.628 1.00 0.00 H new ATOM 0 HA GLU A 98 0.761 7.352 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.594 7.369 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.176 7.373 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.458 5.225 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.961 5.212 7.976 1.00 0.00 H new ATOM 1501 N ALA A 99 2.448 10.090 7.764 1.00 0.00 N ATOM 1502 CA ALA A 99 2.411 11.491 8.103 1.00 0.00 C ATOM 1503 C ALA A 99 1.793 12.281 6.999 1.00 0.00 C ATOM 1504 O ALA A 99 1.773 13.512 7.042 1.00 0.00 O ATOM 1505 CB ALA A 99 3.817 11.994 8.292 1.00 0.00 C ATOM 0 H ALA A 99 3.194 9.832 7.118 1.00 0.00 H new ATOM 0 HA ALA A 99 1.826 11.607 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.793 13.053 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.298 11.437 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.380 11.857 7.369 1.00 0.00 H new ATOM 1511 N LYS A 100 1.282 11.612 6.013 1.00 0.00 N ATOM 1512 CA LYS A 100 0.872 12.320 4.860 1.00 0.00 C ATOM 1513 C LYS A 100 -0.525 11.916 4.450 1.00 0.00 C ATOM 1514 O LYS A 100 -1.356 12.762 4.121 1.00 0.00 O ATOM 1515 CB LYS A 100 1.861 12.000 3.753 1.00 0.00 C ATOM 1516 CG LYS A 100 1.879 12.933 2.562 1.00 0.00 C ATOM 1517 CD LYS A 100 2.619 14.258 2.840 1.00 0.00 C ATOM 1518 CE LYS A 100 1.849 15.260 3.705 1.00 0.00 C ATOM 1519 NZ LYS A 100 0.537 15.616 3.115 1.00 0.00 N ATOM 0 H LYS A 100 1.144 10.602 5.989 1.00 0.00 H new ATOM 0 HA LYS A 100 0.854 13.391 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.861 11.983 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.652 10.993 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.354 12.429 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.854 13.152 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.567 14.032 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.857 14.731 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.696 14.838 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.446 16.163 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.150 16.448 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.658 15.834 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.119 14.816 3.220 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.774 10.640 4.480 1.00 0.00 N ATOM 1534 CA TYR A 101 -2.023 10.098 4.048 1.00 0.00 C ATOM 1535 C TYR A 101 -2.726 9.432 5.207 1.00 0.00 C ATOM 1536 O TYR A 101 -2.075 8.872 6.097 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.778 9.086 2.936 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.989 9.645 1.784 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.546 10.576 0.918 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.318 9.262 1.578 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.818 11.102 -0.125 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.054 9.783 0.547 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.481 10.705 -0.306 1.00 0.00 C ATOM 1544 OH TYR A 101 1.217 11.236 -1.341 1.00 0.00 O ATOM 0 H TYR A 101 -0.107 9.941 4.809 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.655 10.903 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.248 8.227 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.737 8.723 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.568 10.893 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.770 8.539 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.266 11.821 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.079 9.474 0.402 1.00 0.00 H new ATOM 0 HH TYR A 101 2.119 10.852 -1.332 1.00 0.00 H new ATOM 1554 N PRO A 102 -4.048 9.513 5.240 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.846 8.897 6.279 1.00 0.00 C ATOM 1556 C PRO A 102 -5.041 7.398 6.056 1.00 0.00 C ATOM 1557 O PRO A 102 -5.191 6.932 4.906 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.187 9.616 6.149 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.287 9.939 4.702 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.890 10.253 4.265 1.00 0.00 C ATOM 0 HA PRO A 102 -4.377 8.984 7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.012 8.982 6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.217 10.517 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.695 9.099 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.951 10.787 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.705 9.923 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.691 11.324 4.295 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.022 6.649 7.136 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.332 5.231 7.086 1.00 0.00 C ATOM 1570 C VAL A 103 -6.835 5.105 6.949 1.00 0.00 C ATOM 1571 O VAL A 103 -7.569 5.197 7.931 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.862 4.447 8.360 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.248 2.974 8.263 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.364 4.565 8.557 1.00 0.00 C ATOM 0 H VAL A 103 -4.794 6.998 8.067 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.798 4.793 6.243 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.364 4.893 9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.912 2.450 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.331 2.887 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.777 2.532 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.069 4.011 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.849 4.155 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.094 5.614 8.677 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.286 4.942 5.738 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.711 4.902 5.458 1.00 0.00 C ATOM 1586 C VAL A 104 -9.293 3.519 5.643 1.00 0.00 C ATOM 1587 O VAL A 104 -10.500 3.316 5.499 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.044 5.433 4.047 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.686 6.904 3.939 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.311 4.631 2.983 1.00 0.00 C ATOM 0 H VAL A 104 -6.691 4.833 4.917 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.175 5.565 6.188 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.116 5.321 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.926 7.264 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.254 7.472 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.620 7.034 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.560 5.022 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.236 4.710 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.611 3.585 3.045 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.454 2.573 5.948 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.933 1.263 6.172 1.00 0.00 C ATOM 1602 C GLY A 105 -7.853 0.242 6.183 1.00 0.00 C ATOM 1603 O GLY A 105 -6.697 0.534 6.516 1.00 0.00 O ATOM 0 H GLY A 105 -7.446 2.693 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.462 1.234 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.657 1.010 5.397 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.207 -0.929 5.781 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.339 -2.061 5.820 1.00 0.00 C ATOM 1609 C ARG A 106 -7.443 -2.856 4.582 1.00 0.00 C ATOM 1610 O ARG A 106 -8.403 -2.734 3.826 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.754 -3.004 6.926 1.00 0.00 C ATOM 1612 CG ARG A 106 -9.211 -3.401 6.879 1.00 0.00 C ATOM 1613 CD ARG A 106 -9.463 -4.475 7.875 1.00 0.00 C ATOM 1614 NE ARG A 106 -9.131 -4.068 9.243 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.960 -4.895 10.285 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -9.041 -6.203 10.124 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.707 -4.400 11.490 1.00 0.00 N ATOM 0 H ARG A 106 -9.133 -1.134 5.405 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.331 -1.670 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.141 -3.904 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.547 -2.534 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.841 -2.538 7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.473 -3.748 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.513 -4.766 7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.877 -5.355 7.610 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.020 -3.069 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.235 -6.592 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.910 -6.824 10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.643 -3.391 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.577 -5.029 12.283 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.473 -3.674 4.380 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.562 -4.667 3.402 1.00 0.00 C ATOM 1633 C VAL A 107 -6.452 -5.996 4.112 1.00 0.00 C ATOM 1634 O VAL A 107 -5.617 -6.174 5.009 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.541 -4.561 2.267 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -4.137 -4.771 2.753 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.904 -5.552 1.224 1.00 0.00 C ATOM 0 H VAL A 107 -5.595 -3.663 4.898 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.518 -4.549 2.892 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.568 -3.554 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.445 -4.687 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.894 -4.016 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.050 -5.763 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.189 -5.495 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.886 -6.554 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.905 -5.336 0.849 1.00 0.00 H new ATOM 1647 N VAL A 108 -7.326 -6.874 3.789 1.00 0.00 N ATOM 1648 CA VAL A 108 -7.418 -8.122 4.455 1.00 0.00 C ATOM 1649 C VAL A 108 -7.450 -9.214 3.453 1.00 0.00 C ATOM 1650 O VAL A 108 -7.937 -8.997 2.348 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.758 -8.170 5.260 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.862 -6.968 6.055 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.954 -8.167 4.372 1.00 0.00 C ATOM 0 H VAL A 108 -8.010 -6.746 3.043 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.562 -8.241 5.119 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.739 -9.084 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.792 -6.987 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.018 -6.913 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.854 -6.097 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.858 -8.201 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.957 -7.260 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.923 -9.038 3.718 1.00 0.00 H new ATOM 1663 N SER A 109 -6.848 -10.327 3.743 1.00 0.00 N ATOM 1664 CA SER A 109 -7.212 -11.476 3.014 1.00 0.00 C ATOM 1665 C SER A 109 -7.044 -12.738 3.845 1.00 0.00 C ATOM 1666 O SER A 109 -8.061 -13.322 4.263 1.00 0.00 O ATOM 1667 CB SER A 109 -6.474 -11.522 1.663 1.00 0.00 C ATOM 1668 OG SER A 109 -5.059 -11.435 1.809 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.895 -13.092 4.177 1.00 0.00 O ATOM 0 H SER A 109 -6.129 -10.452 4.455 1.00 0.00 H new ATOM 0 HA SER A 109 -8.275 -11.421 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.726 -12.448 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.822 -10.702 1.035 1.00 0.00 H new ATOM 0 HG SER A 109 -4.782 -11.923 2.613 1.00 0.00 H new TER 1675 SER A 109