USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 779 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 70 ASN : amide:sc= -1.29 K(o=-1.6,f=-6.5!) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.333 K(o=-1.6,f=-4.8!) USER MOD Set 2.1: A 58 TYR OH : rot -116:sc= 1.16 USER MOD Set 2.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -175:sc= 1.95 (180deg=0.613) USER MOD Set 3.2: A 56 GLN : amide:sc= -1.06! C(o=0.89!,f=-11!) USER MOD Set 4.1: A 4 HIS : no HD1:sc= -0.102 X(o=2.2,f=2.1) USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 1.12 USER MOD Set 4.3: A 39 SER OG : rot 123:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.174 (180deg=-0.731) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0181 (180deg=-0.218) USER MOD Single : A 3 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.19) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 7 HIS : no HD1:sc= -0.0489 X(o=-0.049,f=-0.024) USER MOD Single : A 8 HIS : no HD1:sc= -0.712 X(o=-0.71,f=-0.38) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.43) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.04) USER MOD Single : A 17 HIS : no HE2:sc= -3.18! C(o=-1.1!,f=-12!) USER MOD Single : A 19 THR OG1 : rot 80:sc= 0.0501 USER MOD Single : A 21 LYS NZ :NH3+ -114:sc= 0.354 (180deg=0) USER MOD Single : A 24 SER OG : rot -154:sc= 1.29 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.13) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -59:sc= 1.04 USER MOD Single : A 38 SER OG : rot -92:sc= 0.528 USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 1.14 (180deg=-0.258) USER MOD Single : A 45 HIS : no HE2:sc= 0.549 K(o=0.55,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 50 THR OG1 : rot 83:sc= -2.26! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 162:sc= -1.36 (180deg=-2.38!) USER MOD Single : A 59 TYR OH : rot 148:sc= 0.15 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 48:sc= 1.29 USER MOD Single : A 74 TYR OH : rot 39:sc= -1.34 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 80 SER OG : rot -102:sc= 1.26 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.993 K(o=-0.99,f=-0.0023) USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= -0.73 (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.009 -16.116 5.273 1.00 0.00 N ATOM 2 CA MET A 1 0.892 -17.507 4.784 1.00 0.00 C ATOM 3 C MET A 1 -0.383 -18.133 5.320 1.00 0.00 C ATOM 4 O MET A 1 -0.405 -18.685 6.422 1.00 0.00 O ATOM 5 CB MET A 1 2.107 -18.338 5.215 1.00 0.00 C ATOM 6 CG MET A 1 3.427 -17.818 4.669 1.00 0.00 C ATOM 7 SD MET A 1 4.846 -18.794 5.207 1.00 0.00 S ATOM 8 CE MET A 1 4.439 -20.392 4.510 1.00 0.00 C ATOM 0 H1 MET A 1 1.752 -15.622 4.739 1.00 0.00 H new ATOM 0 H2 MET A 1 0.102 -15.624 5.141 1.00 0.00 H new ATOM 0 H3 MET A 1 1.255 -16.123 6.283 1.00 0.00 H new ATOM 0 HA MET A 1 0.857 -17.492 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.156 -18.356 6.304 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.968 -19.367 4.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.387 -17.815 3.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.563 -16.784 4.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.339 -21.005 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.701 -20.887 5.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.029 -20.259 3.509 1.00 0.00 H new ATOM 20 N GLY A 2 -1.450 -18.015 4.547 1.00 0.00 N ATOM 21 CA GLY A 2 -2.744 -18.477 4.994 1.00 0.00 C ATOM 22 C GLY A 2 -3.408 -17.444 5.875 1.00 0.00 C ATOM 23 O GLY A 2 -2.975 -16.289 5.905 1.00 0.00 O ATOM 0 H GLY A 2 -1.442 -17.605 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.377 -18.688 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.632 -19.412 5.543 1.00 0.00 H new ATOM 27 N HIS A 3 -4.470 -17.848 6.570 1.00 0.00 N ATOM 28 CA HIS A 3 -5.179 -16.975 7.514 1.00 0.00 C ATOM 29 C HIS A 3 -5.973 -15.892 6.776 1.00 0.00 C ATOM 30 O HIS A 3 -6.718 -15.120 7.383 1.00 0.00 O ATOM 31 CB HIS A 3 -4.186 -16.346 8.515 1.00 0.00 C ATOM 32 CG HIS A 3 -4.806 -15.411 9.510 1.00 0.00 C ATOM 33 ND1 HIS A 3 -4.573 -14.052 9.511 1.00 0.00 N ATOM 34 CD2 HIS A 3 -5.657 -15.644 10.536 1.00 0.00 C ATOM 35 CE1 HIS A 3 -5.255 -13.492 10.492 1.00 0.00 C ATOM 36 NE2 HIS A 3 -5.922 -14.435 11.129 1.00 0.00 N ATOM 0 H HIS A 3 -4.865 -18.786 6.498 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.891 -17.584 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.680 -17.146 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.422 -15.806 7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.054 -16.603 10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.265 -12.439 10.733 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.535 -14.289 11.931 1.00 0.00 H new ATOM 45 N HIS A 4 -5.836 -15.850 5.462 1.00 0.00 N ATOM 46 CA HIS A 4 -6.478 -14.816 4.675 1.00 0.00 C ATOM 47 C HIS A 4 -7.916 -15.205 4.355 1.00 0.00 C ATOM 48 O HIS A 4 -8.213 -15.724 3.278 1.00 0.00 O ATOM 49 CB HIS A 4 -5.689 -14.554 3.391 1.00 0.00 C ATOM 50 CG HIS A 4 -5.740 -13.126 2.942 1.00 0.00 C ATOM 51 ND1 HIS A 4 -6.105 -12.738 1.674 1.00 0.00 N ATOM 52 CD2 HIS A 4 -5.435 -11.989 3.606 1.00 0.00 C ATOM 53 CE1 HIS A 4 -6.018 -11.424 1.577 1.00 0.00 C ATOM 54 NE2 HIS A 4 -5.613 -10.942 2.738 1.00 0.00 N ATOM 0 H HIS A 4 -5.288 -16.518 4.921 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.495 -13.896 5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.649 -14.841 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.079 -15.191 2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.110 -11.918 4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.241 -10.841 0.696 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.459 -9.957 2.953 1.00 0.00 H new ATOM 63 N HIS A 5 -8.796 -14.988 5.318 1.00 0.00 N ATOM 64 CA HIS A 5 -10.217 -15.247 5.138 1.00 0.00 C ATOM 65 C HIS A 5 -10.904 -14.035 4.527 1.00 0.00 C ATOM 66 O HIS A 5 -10.412 -12.910 4.644 1.00 0.00 O ATOM 67 CB HIS A 5 -10.874 -15.597 6.477 1.00 0.00 C ATOM 68 CG HIS A 5 -10.908 -17.065 6.778 1.00 0.00 C ATOM 69 ND1 HIS A 5 -10.014 -17.691 7.618 1.00 0.00 N ATOM 70 CD2 HIS A 5 -11.764 -18.028 6.366 1.00 0.00 C ATOM 71 CE1 HIS A 5 -10.320 -18.973 7.708 1.00 0.00 C ATOM 72 NE2 HIS A 5 -11.379 -19.205 6.958 1.00 0.00 N ATOM 0 H HIS A 5 -8.549 -14.630 6.241 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.326 -16.094 4.461 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.338 -15.086 7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -11.894 -15.213 6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.599 -17.895 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.791 -19.708 8.297 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.836 -20.109 6.838 1.00 0.00 H new ATOM 81 N HIS A 6 -12.024 -14.264 3.860 1.00 0.00 N ATOM 82 CA HIS A 6 -12.798 -13.169 3.290 1.00 0.00 C ATOM 83 C HIS A 6 -13.572 -12.461 4.393 1.00 0.00 C ATOM 84 O HIS A 6 -14.043 -13.097 5.338 1.00 0.00 O ATOM 85 CB HIS A 6 -13.753 -13.670 2.190 1.00 0.00 C ATOM 86 CG HIS A 6 -14.933 -14.462 2.683 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.860 -15.795 3.011 1.00 0.00 N ATOM 88 CD2 HIS A 6 -16.222 -14.098 2.891 1.00 0.00 C ATOM 89 CE1 HIS A 6 -16.048 -16.219 3.397 1.00 0.00 C ATOM 90 NE2 HIS A 6 -16.893 -15.211 3.334 1.00 0.00 N ATOM 0 H HIS A 6 -12.417 -15.192 3.700 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.109 -12.463 2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.120 -12.810 1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.187 -14.287 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.643 -13.115 2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.287 -17.224 3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.883 -15.251 3.575 1.00 0.00 H new ATOM 99 N HIS A 7 -13.696 -11.152 4.279 1.00 0.00 N ATOM 100 CA HIS A 7 -14.394 -10.371 5.287 1.00 0.00 C ATOM 101 C HIS A 7 -14.949 -9.097 4.674 1.00 0.00 C ATOM 102 O HIS A 7 -14.248 -8.392 3.951 1.00 0.00 O ATOM 103 CB HIS A 7 -13.475 -10.051 6.484 1.00 0.00 C ATOM 104 CG HIS A 7 -12.318 -9.133 6.186 1.00 0.00 C ATOM 105 ND1 HIS A 7 -12.003 -8.047 6.976 1.00 0.00 N ATOM 106 CD2 HIS A 7 -11.384 -9.161 5.202 1.00 0.00 C ATOM 107 CE1 HIS A 7 -10.930 -7.446 6.490 1.00 0.00 C ATOM 108 NE2 HIS A 7 -10.535 -8.105 5.417 1.00 0.00 N ATOM 0 H HIS A 7 -13.324 -10.607 3.501 1.00 0.00 H new ATOM 0 HA HIS A 7 -15.226 -10.967 5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -14.078 -9.602 7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.081 -10.988 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.321 -9.881 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.458 -6.566 6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.728 -7.867 4.840 1.00 0.00 H new ATOM 117 N HIS A 8 -16.209 -8.817 4.956 1.00 0.00 N ATOM 118 CA HIS A 8 -16.855 -7.622 4.442 1.00 0.00 C ATOM 119 C HIS A 8 -17.304 -6.743 5.603 1.00 0.00 C ATOM 120 O HIS A 8 -18.438 -6.822 6.076 1.00 0.00 O ATOM 121 CB HIS A 8 -18.021 -7.960 3.484 1.00 0.00 C ATOM 122 CG HIS A 8 -19.158 -8.743 4.084 1.00 0.00 C ATOM 123 ND1 HIS A 8 -20.478 -8.370 3.947 1.00 0.00 N ATOM 124 CD2 HIS A 8 -19.171 -9.889 4.804 1.00 0.00 C ATOM 125 CE1 HIS A 8 -21.249 -9.245 4.561 1.00 0.00 C ATOM 126 NE2 HIS A 8 -20.482 -10.177 5.088 1.00 0.00 N ATOM 0 H HIS A 8 -16.807 -9.402 5.540 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.131 -7.065 3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -18.419 -7.028 3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -17.622 -8.524 2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.309 -10.469 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.327 -9.205 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.810 -10.983 5.621 1.00 0.00 H new ATOM 135 N SER A 9 -16.377 -5.929 6.077 1.00 0.00 N ATOM 136 CA SER A 9 -16.605 -5.069 7.222 1.00 0.00 C ATOM 137 C SER A 9 -17.569 -3.942 6.867 1.00 0.00 C ATOM 138 O SER A 9 -18.350 -3.485 7.705 1.00 0.00 O ATOM 139 CB SER A 9 -15.272 -4.491 7.696 1.00 0.00 C ATOM 140 OG SER A 9 -14.318 -5.522 7.912 1.00 0.00 O ATOM 0 H SER A 9 -15.443 -5.847 5.676 1.00 0.00 H new ATOM 0 HA SER A 9 -17.052 -5.658 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.892 -3.788 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.422 -3.930 8.619 1.00 0.00 H new ATOM 0 HG SER A 9 -13.473 -5.128 8.213 1.00 0.00 H new ATOM 146 N HIS A 10 -17.521 -3.509 5.617 1.00 0.00 N ATOM 147 CA HIS A 10 -18.353 -2.411 5.165 1.00 0.00 C ATOM 148 C HIS A 10 -18.571 -2.518 3.659 1.00 0.00 C ATOM 149 O HIS A 10 -17.628 -2.417 2.877 1.00 0.00 O ATOM 150 CB HIS A 10 -17.678 -1.082 5.520 1.00 0.00 C ATOM 151 CG HIS A 10 -18.622 0.071 5.676 1.00 0.00 C ATOM 152 ND1 HIS A 10 -18.192 1.363 5.873 1.00 0.00 N ATOM 153 CD2 HIS A 10 -19.975 0.123 5.685 1.00 0.00 C ATOM 154 CE1 HIS A 10 -19.236 2.158 5.995 1.00 0.00 C ATOM 155 NE2 HIS A 10 -20.334 1.433 5.887 1.00 0.00 N ATOM 0 H HIS A 10 -16.913 -3.903 4.899 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.323 -2.455 5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -17.122 -1.208 6.449 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -16.952 -0.839 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -20.648 -0.712 5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -19.199 3.225 6.156 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -21.289 1.787 5.944 1.00 0.00 H new ATOM 164 N ALA A 11 -19.811 -2.753 3.258 1.00 0.00 N ATOM 165 CA ALA A 11 -20.140 -2.862 1.843 1.00 0.00 C ATOM 166 C ALA A 11 -20.527 -1.510 1.285 1.00 0.00 C ATOM 167 O ALA A 11 -20.265 -1.190 0.125 1.00 0.00 O ATOM 168 CB ALA A 11 -21.256 -3.871 1.625 1.00 0.00 C ATOM 0 H ALA A 11 -20.604 -2.872 3.889 1.00 0.00 H new ATOM 0 HA ALA A 11 -19.256 -3.215 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.485 -3.936 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.939 -4.849 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.145 -3.553 2.169 1.00 0.00 H new ATOM 174 N ALA A 12 -21.131 -0.717 2.137 1.00 0.00 N ATOM 175 CA ALA A 12 -21.544 0.629 1.777 1.00 0.00 C ATOM 176 C ALA A 12 -20.396 1.605 1.997 1.00 0.00 C ATOM 177 O ALA A 12 -20.409 2.405 2.934 1.00 0.00 O ATOM 178 CB ALA A 12 -22.772 1.048 2.574 1.00 0.00 C ATOM 0 H ALA A 12 -21.352 -0.980 3.097 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.811 0.641 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.064 2.059 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.592 0.361 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.540 1.024 3.639 1.00 0.00 H new ATOM 184 N VAL A 13 -19.385 1.500 1.154 1.00 0.00 N ATOM 185 CA VAL A 13 -18.210 2.347 1.255 1.00 0.00 C ATOM 186 C VAL A 13 -17.507 2.416 -0.097 1.00 0.00 C ATOM 187 O VAL A 13 -17.608 1.489 -0.905 1.00 0.00 O ATOM 188 CB VAL A 13 -17.232 1.829 2.341 1.00 0.00 C ATOM 189 CG1 VAL A 13 -16.617 0.498 1.938 1.00 0.00 C ATOM 190 CG2 VAL A 13 -16.153 2.859 2.646 1.00 0.00 C ATOM 0 H VAL A 13 -19.354 0.830 0.385 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.533 3.346 1.548 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.807 1.668 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.936 0.160 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.406 -0.241 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.067 0.619 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.482 2.468 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.586 3.071 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.618 3.777 3.006 1.00 0.00 H new ATOM 200 N ARG A 14 -16.815 3.514 -0.347 1.00 0.00 N ATOM 201 CA ARG A 14 -16.116 3.704 -1.602 1.00 0.00 C ATOM 202 C ARG A 14 -14.648 3.360 -1.436 1.00 0.00 C ATOM 203 O ARG A 14 -13.986 3.836 -0.507 1.00 0.00 O ATOM 204 CB ARG A 14 -16.272 5.139 -2.083 1.00 0.00 C ATOM 205 CG ARG A 14 -17.718 5.580 -2.133 1.00 0.00 C ATOM 206 CD ARG A 14 -17.900 6.785 -3.026 1.00 0.00 C ATOM 207 NE ARG A 14 -19.255 7.322 -2.928 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.775 8.222 -3.758 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.064 8.692 -4.780 1.00 0.00 N ATOM 210 NH2 ARG A 14 -21.020 8.633 -3.564 1.00 0.00 N ATOM 0 H ARG A 14 -16.723 4.291 0.308 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.550 3.040 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.716 5.803 -1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.832 5.236 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.337 4.760 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.062 5.817 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.181 7.556 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.690 6.509 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.845 6.982 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.111 8.362 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.472 9.382 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.565 8.260 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.433 9.323 -4.192 1.00 0.00 H new ATOM 224 N LYS A 15 -14.150 2.519 -2.317 1.00 0.00 N ATOM 225 CA LYS A 15 -12.750 2.139 -2.293 1.00 0.00 C ATOM 226 C LYS A 15 -11.914 3.269 -2.875 1.00 0.00 C ATOM 227 O LYS A 15 -12.308 3.902 -3.855 1.00 0.00 O ATOM 228 CB LYS A 15 -12.509 0.837 -3.072 1.00 0.00 C ATOM 229 CG LYS A 15 -12.923 -0.440 -2.334 1.00 0.00 C ATOM 230 CD LYS A 15 -14.408 -0.464 -1.997 1.00 0.00 C ATOM 231 CE LYS A 15 -14.854 -1.819 -1.460 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.089 -2.241 -0.254 1.00 0.00 N ATOM 0 H LYS A 15 -14.694 2.083 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.455 1.960 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.054 0.888 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.450 0.769 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.679 -1.306 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.344 -0.529 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.624 0.307 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.985 -0.220 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.915 -1.776 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.737 -2.571 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.499 -3.117 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.096 -2.408 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.137 -1.493 0.467 1.00 0.00 H new ATOM 246 N ILE A 16 -10.772 3.519 -2.267 1.00 0.00 N ATOM 247 CA ILE A 16 -9.932 4.636 -2.657 1.00 0.00 C ATOM 248 C ILE A 16 -8.873 4.191 -3.651 1.00 0.00 C ATOM 249 O ILE A 16 -8.535 3.008 -3.740 1.00 0.00 O ATOM 250 CB ILE A 16 -9.253 5.297 -1.438 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.433 4.272 -0.648 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.296 5.958 -0.546 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.736 4.850 0.564 1.00 0.00 C ATOM 0 H ILE A 16 -10.402 2.961 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.581 5.375 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.570 6.066 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.091 3.465 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.687 3.831 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.803 6.420 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.829 6.721 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.003 5.207 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.176 4.064 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.051 5.638 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.477 5.265 1.246 1.00 0.00 H new ATOM 265 N HIS A 17 -8.370 5.141 -4.412 1.00 0.00 N ATOM 266 CA HIS A 17 -7.361 4.860 -5.415 1.00 0.00 C ATOM 267 C HIS A 17 -5.994 5.303 -4.928 1.00 0.00 C ATOM 268 O HIS A 17 -5.738 6.497 -4.767 1.00 0.00 O ATOM 269 CB HIS A 17 -7.713 5.563 -6.725 1.00 0.00 C ATOM 270 CG HIS A 17 -8.980 5.060 -7.340 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.216 5.611 -7.087 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.199 4.032 -8.186 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.138 4.943 -7.750 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.549 3.977 -8.427 1.00 0.00 N ATOM 0 H HIS A 17 -8.645 6.122 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.332 3.785 -5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.805 6.634 -6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.895 5.430 -7.433 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.391 6.412 -6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.449 3.373 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.198 5.152 -7.741 1.00 0.00 H new ATOM 283 N VAL A 18 -5.130 4.336 -4.672 1.00 0.00 N ATOM 284 CA VAL A 18 -3.792 4.619 -4.179 1.00 0.00 C ATOM 285 C VAL A 18 -2.770 4.550 -5.307 1.00 0.00 C ATOM 286 O VAL A 18 -2.859 3.692 -6.188 1.00 0.00 O ATOM 287 CB VAL A 18 -3.373 3.635 -3.071 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.294 3.756 -1.867 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.356 2.208 -3.602 1.00 0.00 C ATOM 0 H VAL A 18 -5.332 3.344 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.818 5.627 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.363 3.890 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.980 3.052 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.246 4.771 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.317 3.532 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.058 1.527 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.352 1.939 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.647 2.135 -4.426 1.00 0.00 H new ATOM 299 N THR A 19 -1.808 5.450 -5.279 1.00 0.00 N ATOM 300 CA THR A 19 -0.754 5.454 -6.272 1.00 0.00 C ATOM 301 C THR A 19 0.427 4.629 -5.778 1.00 0.00 C ATOM 302 O THR A 19 1.117 5.023 -4.843 1.00 0.00 O ATOM 303 CB THR A 19 -0.282 6.888 -6.571 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.415 7.753 -6.719 1.00 0.00 O ATOM 305 CG2 THR A 19 0.560 6.927 -7.838 1.00 0.00 C ATOM 0 H THR A 19 -1.735 6.188 -4.579 1.00 0.00 H new ATOM 0 HA THR A 19 -1.152 5.019 -7.189 1.00 0.00 H new ATOM 0 HB THR A 19 0.330 7.229 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.753 8.003 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.882 7.951 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.435 6.288 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.033 6.570 -8.680 1.00 0.00 H new ATOM 313 N VAL A 20 0.645 3.483 -6.399 1.00 0.00 N ATOM 314 CA VAL A 20 1.729 2.602 -6.005 1.00 0.00 C ATOM 315 C VAL A 20 2.958 2.876 -6.860 1.00 0.00 C ATOM 316 O VAL A 20 2.960 2.623 -8.068 1.00 0.00 O ATOM 317 CB VAL A 20 1.327 1.118 -6.133 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.436 0.212 -5.623 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.030 0.850 -5.384 1.00 0.00 C ATOM 0 H VAL A 20 0.084 3.141 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 20 1.957 2.802 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 20 1.167 0.898 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.130 -0.829 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.341 0.382 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.633 0.433 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.238 -0.202 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.163 1.091 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.765 1.469 -5.800 1.00 0.00 H new ATOM 329 N LYS A 21 3.989 3.420 -6.234 1.00 0.00 N ATOM 330 CA LYS A 21 5.198 3.795 -6.943 1.00 0.00 C ATOM 331 C LYS A 21 6.352 2.870 -6.610 1.00 0.00 C ATOM 332 O LYS A 21 6.823 2.838 -5.480 1.00 0.00 O ATOM 333 CB LYS A 21 5.596 5.224 -6.596 1.00 0.00 C ATOM 334 CG LYS A 21 4.578 6.268 -7.017 1.00 0.00 C ATOM 335 CD LYS A 21 5.103 7.675 -6.797 1.00 0.00 C ATOM 336 CE LYS A 21 6.309 7.961 -7.675 1.00 0.00 C ATOM 337 NZ LYS A 21 6.924 9.277 -7.366 1.00 0.00 N ATOM 0 H LYS A 21 4.011 3.612 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 21 4.983 3.716 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.751 5.296 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.551 5.450 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.329 6.132 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.657 6.129 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.315 8.397 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.375 7.804 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.051 7.174 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.008 7.939 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.810 9.913 -8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.457 9.692 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.937 9.149 -7.166 1.00 0.00 H new ATOM 351 N PHE A 22 6.804 2.130 -7.600 1.00 0.00 N ATOM 352 CA PHE A 22 7.990 1.307 -7.458 1.00 0.00 C ATOM 353 C PHE A 22 9.202 2.072 -7.978 1.00 0.00 C ATOM 354 O PHE A 22 9.049 3.096 -8.650 1.00 0.00 O ATOM 355 CB PHE A 22 7.822 -0.009 -8.229 1.00 0.00 C ATOM 356 CG PHE A 22 7.050 -1.061 -7.484 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.674 -0.980 -7.357 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.710 -2.134 -6.905 1.00 0.00 C ATOM 359 CE1 PHE A 22 4.972 -1.948 -6.668 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.012 -3.105 -6.217 1.00 0.00 C ATOM 361 CZ PHE A 22 5.643 -3.011 -6.097 1.00 0.00 C ATOM 0 H PHE A 22 6.365 2.081 -8.519 1.00 0.00 H new ATOM 0 HA PHE A 22 8.138 1.070 -6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.317 0.197 -9.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.808 -0.403 -8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.144 -0.151 -7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.784 -2.211 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.899 -1.874 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.538 -3.937 -5.773 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.095 -3.768 -5.557 1.00 0.00 H new ATOM 371 N PRO A 23 10.423 1.595 -7.685 1.00 0.00 N ATOM 372 CA PRO A 23 11.657 2.190 -8.215 1.00 0.00 C ATOM 373 C PRO A 23 11.831 1.915 -9.711 1.00 0.00 C ATOM 374 O PRO A 23 12.932 2.016 -10.254 1.00 0.00 O ATOM 375 CB PRO A 23 12.772 1.498 -7.412 1.00 0.00 C ATOM 376 CG PRO A 23 12.082 0.788 -6.292 1.00 0.00 C ATOM 377 CD PRO A 23 10.710 0.463 -6.795 1.00 0.00 C ATOM 0 HA PRO A 23 11.659 3.275 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.327 0.798 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.490 2.225 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.620 -0.118 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.033 1.416 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.687 -0.488 -7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.986 0.391 -5.983 1.00 0.00 H new ATOM 385 N SER A 24 10.731 1.582 -10.372 1.00 0.00 N ATOM 386 CA SER A 24 10.748 1.217 -11.776 1.00 0.00 C ATOM 387 C SER A 24 9.426 1.578 -12.452 1.00 0.00 C ATOM 388 O SER A 24 9.397 2.307 -13.450 1.00 0.00 O ATOM 389 CB SER A 24 11.008 -0.284 -11.900 1.00 0.00 C ATOM 390 OG SER A 24 10.156 -1.019 -11.032 1.00 0.00 O ATOM 0 H SER A 24 9.804 1.558 -9.948 1.00 0.00 H new ATOM 0 HA SER A 24 11.542 1.772 -12.275 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.846 -0.601 -12.930 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.050 -0.498 -11.661 1.00 0.00 H new ATOM 0 HG SER A 24 10.578 -1.874 -10.806 1.00 0.00 H new ATOM 396 N LYS A 25 8.334 1.074 -11.893 1.00 0.00 N ATOM 397 CA LYS A 25 7.016 1.247 -12.482 1.00 0.00 C ATOM 398 C LYS A 25 6.083 1.995 -11.535 1.00 0.00 C ATOM 399 O LYS A 25 6.360 2.128 -10.343 1.00 0.00 O ATOM 400 CB LYS A 25 6.420 -0.122 -12.828 1.00 0.00 C ATOM 401 CG LYS A 25 6.141 -0.990 -11.608 1.00 0.00 C ATOM 402 CD LYS A 25 5.907 -2.446 -11.989 1.00 0.00 C ATOM 403 CE LYS A 25 7.164 -3.065 -12.583 1.00 0.00 C ATOM 404 NZ LYS A 25 7.033 -4.532 -12.810 1.00 0.00 N ATOM 0 H LYS A 25 8.337 0.538 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 25 7.123 1.840 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.491 0.024 -13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.105 -0.650 -13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.982 -0.926 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.266 -0.607 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.601 -3.011 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.091 -2.510 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.393 -2.575 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.005 -2.879 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.835 -4.868 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.029 -5.026 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.144 -4.727 -13.313 1.00 0.00 H new ATOM 418 N GLN A 26 4.977 2.467 -12.079 1.00 0.00 N ATOM 419 CA GLN A 26 3.972 3.181 -11.302 1.00 0.00 C ATOM 420 C GLN A 26 2.577 2.770 -11.754 1.00 0.00 C ATOM 421 O GLN A 26 2.261 2.824 -12.942 1.00 0.00 O ATOM 422 CB GLN A 26 4.144 4.695 -11.459 1.00 0.00 C ATOM 423 CG GLN A 26 3.074 5.510 -10.745 1.00 0.00 C ATOM 424 CD GLN A 26 3.134 6.986 -11.091 1.00 0.00 C ATOM 425 OE1 GLN A 26 3.796 7.774 -10.413 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.438 7.369 -12.149 1.00 0.00 N ATOM 0 H GLN A 26 4.747 2.369 -13.068 1.00 0.00 H new ATOM 0 HA GLN A 26 4.101 2.923 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.123 4.982 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.131 4.945 -12.520 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.091 5.119 -11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.189 5.389 -9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.903 6.684 -12.683 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.436 8.349 -12.431 1.00 0.00 H new ATOM 435 N PHE A 27 1.747 2.356 -10.813 1.00 0.00 N ATOM 436 CA PHE A 27 0.387 1.952 -11.132 1.00 0.00 C ATOM 437 C PHE A 27 -0.552 2.302 -9.987 1.00 0.00 C ATOM 438 O PHE A 27 -0.111 2.563 -8.870 1.00 0.00 O ATOM 439 CB PHE A 27 0.322 0.451 -11.457 1.00 0.00 C ATOM 440 CG PHE A 27 0.849 -0.450 -10.371 1.00 0.00 C ATOM 441 CD1 PHE A 27 0.008 -0.917 -9.375 1.00 0.00 C ATOM 442 CD2 PHE A 27 2.181 -0.838 -10.355 1.00 0.00 C ATOM 443 CE1 PHE A 27 0.481 -1.748 -8.379 1.00 0.00 C ATOM 444 CE2 PHE A 27 2.659 -1.672 -9.362 1.00 0.00 C ATOM 445 CZ PHE A 27 1.809 -2.128 -8.373 1.00 0.00 C ATOM 0 H PHE A 27 1.989 2.290 -9.824 1.00 0.00 H new ATOM 0 HA PHE A 27 0.065 2.498 -12.019 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.714 0.182 -11.663 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.887 0.266 -12.370 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.032 -0.627 -9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.850 -0.485 -11.126 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.186 -2.100 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.698 -1.967 -9.359 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.182 -2.780 -7.597 1.00 0.00 H new ATOM 455 N THR A 28 -1.842 2.327 -10.270 1.00 0.00 N ATOM 456 CA THR A 28 -2.832 2.667 -9.264 1.00 0.00 C ATOM 457 C THR A 28 -3.667 1.439 -8.919 1.00 0.00 C ATOM 458 O THR A 28 -4.003 0.638 -9.796 1.00 0.00 O ATOM 459 CB THR A 28 -3.756 3.788 -9.769 1.00 0.00 C ATOM 460 OG1 THR A 28 -2.988 4.753 -10.502 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.472 4.484 -8.622 1.00 0.00 C ATOM 0 H THR A 28 -2.229 2.116 -11.190 1.00 0.00 H new ATOM 0 HA THR A 28 -2.309 3.015 -8.373 1.00 0.00 H new ATOM 0 HB THR A 28 -4.508 3.334 -10.415 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.579 5.465 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.115 5.270 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.077 3.759 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.737 4.923 -7.947 1.00 0.00 H new ATOM 469 N VAL A 29 -3.989 1.291 -7.647 1.00 0.00 N ATOM 470 CA VAL A 29 -4.757 0.143 -7.179 1.00 0.00 C ATOM 471 C VAL A 29 -5.970 0.613 -6.387 1.00 0.00 C ATOM 472 O VAL A 29 -5.886 1.584 -5.629 1.00 0.00 O ATOM 473 CB VAL A 29 -3.896 -0.791 -6.292 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.652 -2.062 -5.931 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.591 -1.140 -6.984 1.00 0.00 C ATOM 0 H VAL A 29 -3.731 1.952 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.082 -0.417 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.672 -0.253 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.021 -2.696 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.559 -1.803 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.919 -2.598 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.003 -1.796 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.803 -1.647 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.029 -0.227 -7.182 1.00 0.00 H new ATOM 485 N GLU A 30 -7.103 -0.047 -6.586 1.00 0.00 N ATOM 486 CA GLU A 30 -8.301 0.263 -5.823 1.00 0.00 C ATOM 487 C GLU A 30 -8.333 -0.557 -4.556 1.00 0.00 C ATOM 488 O GLU A 30 -8.455 -1.782 -4.587 1.00 0.00 O ATOM 489 CB GLU A 30 -9.560 -0.001 -6.636 1.00 0.00 C ATOM 490 CG GLU A 30 -9.578 0.771 -7.939 1.00 0.00 C ATOM 491 CD GLU A 30 -10.850 0.592 -8.741 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.191 -0.558 -9.083 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.504 1.609 -9.053 1.00 0.00 O ATOM 0 H GLU A 30 -7.216 -0.798 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.273 1.323 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.636 -1.068 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.435 0.269 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.442 1.831 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.730 0.458 -8.547 1.00 0.00 H new ATOM 500 N VAL A 31 -8.207 0.126 -3.448 1.00 0.00 N ATOM 501 CA VAL A 31 -8.196 -0.531 -2.154 1.00 0.00 C ATOM 502 C VAL A 31 -9.165 0.157 -1.208 1.00 0.00 C ATOM 503 O VAL A 31 -9.486 1.331 -1.377 1.00 0.00 O ATOM 504 CB VAL A 31 -6.785 -0.553 -1.521 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.771 -1.165 -2.475 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.352 0.844 -1.100 1.00 0.00 C ATOM 0 H VAL A 31 -8.110 1.141 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.505 -1.564 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.831 -1.176 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.787 -1.169 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.065 -2.188 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.734 -0.577 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.357 0.799 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.332 1.497 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.056 1.238 -0.367 1.00 0.00 H new ATOM 516 N ASP A 32 -9.649 -0.581 -0.235 1.00 0.00 N ATOM 517 CA ASP A 32 -10.543 -0.018 0.770 1.00 0.00 C ATOM 518 C ASP A 32 -9.767 0.879 1.733 1.00 0.00 C ATOM 519 O ASP A 32 -8.566 0.709 1.920 1.00 0.00 O ATOM 520 CB ASP A 32 -11.248 -1.128 1.550 1.00 0.00 C ATOM 521 CG ASP A 32 -12.437 -0.614 2.335 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.238 -0.044 3.425 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.576 -0.776 1.855 1.00 0.00 O ATOM 0 H ASP A 32 -9.443 -1.572 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.295 0.580 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.580 -1.901 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.539 -1.595 2.233 1.00 0.00 H new ATOM 528 N ARG A 33 -10.461 1.826 2.348 1.00 0.00 N ATOM 529 CA ARG A 33 -9.831 2.765 3.270 1.00 0.00 C ATOM 530 C ARG A 33 -9.547 2.103 4.621 1.00 0.00 C ATOM 531 O ARG A 33 -8.716 2.576 5.397 1.00 0.00 O ATOM 532 CB ARG A 33 -10.713 4.007 3.436 1.00 0.00 C ATOM 533 CG ARG A 33 -12.128 3.707 3.904 1.00 0.00 C ATOM 534 CD ARG A 33 -13.058 4.880 3.636 1.00 0.00 C ATOM 535 NE ARG A 33 -13.232 5.113 2.201 1.00 0.00 N ATOM 536 CZ ARG A 33 -13.402 6.315 1.648 1.00 0.00 C ATOM 537 NH1 ARG A 33 -13.475 7.401 2.407 1.00 0.00 N ATOM 538 NH2 ARG A 33 -13.533 6.415 0.335 1.00 0.00 N ATOM 0 H ARG A 33 -11.464 1.966 2.226 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.873 3.074 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.241 4.681 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.761 4.535 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.502 2.819 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.121 3.482 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.028 4.688 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.656 5.778 4.105 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.223 4.302 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.401 7.320 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.605 8.316 1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.504 5.577 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.663 7.330 -0.096 1.00 0.00 H new ATOM 552 N THR A 34 -10.240 1.003 4.896 1.00 0.00 N ATOM 553 CA THR A 34 -10.006 0.232 6.111 1.00 0.00 C ATOM 554 C THR A 34 -9.155 -0.998 5.808 1.00 0.00 C ATOM 555 O THR A 34 -9.047 -1.917 6.622 1.00 0.00 O ATOM 556 CB THR A 34 -11.330 -0.195 6.784 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.177 -0.880 5.851 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.065 1.013 7.343 1.00 0.00 C ATOM 0 H THR A 34 -10.970 0.625 4.292 1.00 0.00 H new ATOM 0 HA THR A 34 -9.470 0.878 6.807 1.00 0.00 H new ATOM 0 HB THR A 34 -11.083 -0.871 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.370 -0.292 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.994 0.689 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.438 1.509 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.290 1.708 6.534 1.00 0.00 H new ATOM 566 N GLU A 35 -8.547 -0.995 4.627 1.00 0.00 N ATOM 567 CA GLU A 35 -7.700 -2.092 4.192 1.00 0.00 C ATOM 568 C GLU A 35 -6.488 -2.219 5.107 1.00 0.00 C ATOM 569 O GLU A 35 -5.913 -1.217 5.534 1.00 0.00 O ATOM 570 CB GLU A 35 -7.237 -1.855 2.753 1.00 0.00 C ATOM 571 CG GLU A 35 -6.698 -3.093 2.063 1.00 0.00 C ATOM 572 CD GLU A 35 -7.787 -4.092 1.742 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.084 -4.953 2.592 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.344 -4.023 0.627 1.00 0.00 O ATOM 0 H GLU A 35 -8.628 -0.236 3.950 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.276 -3.016 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.074 -1.465 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.464 -1.087 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.192 -2.802 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.951 -3.566 2.701 1.00 0.00 H new ATOM 581 N THR A 36 -6.117 -3.449 5.412 1.00 0.00 N ATOM 582 CA THR A 36 -4.959 -3.721 6.245 1.00 0.00 C ATOM 583 C THR A 36 -3.671 -3.479 5.457 1.00 0.00 C ATOM 584 O THR A 36 -3.671 -3.575 4.228 1.00 0.00 O ATOM 585 CB THR A 36 -4.993 -5.182 6.733 1.00 0.00 C ATOM 586 OG1 THR A 36 -6.265 -5.771 6.411 1.00 0.00 O ATOM 587 CG2 THR A 36 -4.760 -5.262 8.233 1.00 0.00 C ATOM 0 H THR A 36 -6.607 -4.284 5.091 1.00 0.00 H new ATOM 0 HA THR A 36 -4.984 -3.051 7.104 1.00 0.00 H new ATOM 0 HB THR A 36 -4.195 -5.729 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.283 -6.701 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.789 -6.304 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.786 -4.837 8.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.538 -4.703 8.752 1.00 0.00 H new ATOM 595 N VAL A 37 -2.578 -3.171 6.150 1.00 0.00 N ATOM 596 CA VAL A 37 -1.294 -2.971 5.489 1.00 0.00 C ATOM 597 C VAL A 37 -0.870 -4.258 4.788 1.00 0.00 C ATOM 598 O VAL A 37 -0.320 -4.235 3.683 1.00 0.00 O ATOM 599 CB VAL A 37 -0.203 -2.528 6.485 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.145 -2.387 5.793 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.595 -1.217 7.147 1.00 0.00 C ATOM 0 H VAL A 37 -2.556 -3.055 7.163 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.414 -2.175 4.754 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.111 -3.298 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.896 -2.074 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.435 -3.345 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.072 -1.641 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.184 -0.916 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.716 -0.447 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.535 -1.347 7.683 1.00 0.00 H new ATOM 611 N SER A 38 -1.165 -5.381 5.429 1.00 0.00 N ATOM 612 CA SER A 38 -0.935 -6.689 4.843 1.00 0.00 C ATOM 613 C SER A 38 -1.766 -6.869 3.577 1.00 0.00 C ATOM 614 O SER A 38 -1.291 -7.408 2.582 1.00 0.00 O ATOM 615 CB SER A 38 -1.298 -7.769 5.857 1.00 0.00 C ATOM 616 OG SER A 38 -2.455 -7.399 6.594 1.00 0.00 O ATOM 0 H SER A 38 -1.569 -5.408 6.365 1.00 0.00 H new ATOM 0 HA SER A 38 0.119 -6.773 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.476 -8.713 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.463 -7.930 6.539 1.00 0.00 H new ATOM 0 HG SER A 38 -2.186 -6.935 7.414 1.00 0.00 H new ATOM 622 N SER A 39 -2.995 -6.368 3.608 1.00 0.00 N ATOM 623 CA SER A 39 -3.926 -6.571 2.515 1.00 0.00 C ATOM 624 C SER A 39 -3.594 -5.619 1.378 1.00 0.00 C ATOM 625 O SER A 39 -3.947 -5.857 0.222 1.00 0.00 O ATOM 626 CB SER A 39 -5.357 -6.362 3.009 1.00 0.00 C ATOM 627 OG SER A 39 -5.635 -7.195 4.127 1.00 0.00 O ATOM 0 H SER A 39 -3.367 -5.817 4.382 1.00 0.00 H new ATOM 0 HA SER A 39 -3.840 -7.592 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.502 -5.317 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.059 -6.580 2.204 1.00 0.00 H new ATOM 0 HG SER A 39 -5.911 -6.641 4.887 1.00 0.00 H new ATOM 633 N LEU A 40 -2.903 -4.542 1.719 1.00 0.00 N ATOM 634 CA LEU A 40 -2.398 -3.616 0.729 1.00 0.00 C ATOM 635 C LEU A 40 -1.258 -4.275 -0.028 1.00 0.00 C ATOM 636 O LEU A 40 -1.248 -4.305 -1.259 1.00 0.00 O ATOM 637 CB LEU A 40 -1.904 -2.332 1.398 1.00 0.00 C ATOM 638 CG LEU A 40 -1.753 -1.144 0.454 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.113 -0.752 -0.090 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.095 0.030 1.164 1.00 0.00 C ATOM 0 H LEU A 40 -2.680 -4.291 2.682 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.200 -3.356 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.598 -2.062 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.941 -2.530 1.869 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.109 -1.431 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.004 0.097 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.544 -1.593 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.770 -0.478 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.998 0.866 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.708 0.332 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.107 -0.266 1.517 1.00 0.00 H new ATOM 652 N LYS A 41 -0.314 -4.831 0.724 1.00 0.00 N ATOM 653 CA LYS A 41 0.815 -5.530 0.133 1.00 0.00 C ATOM 654 C LYS A 41 0.349 -6.772 -0.619 1.00 0.00 C ATOM 655 O LYS A 41 0.942 -7.141 -1.630 1.00 0.00 O ATOM 656 CB LYS A 41 1.841 -5.917 1.196 1.00 0.00 C ATOM 657 CG LYS A 41 2.543 -4.728 1.836 1.00 0.00 C ATOM 658 CD LYS A 41 3.728 -5.173 2.680 1.00 0.00 C ATOM 659 CE LYS A 41 4.475 -3.991 3.280 1.00 0.00 C ATOM 660 NZ LYS A 41 5.794 -4.396 3.845 1.00 0.00 N ATOM 0 H LYS A 41 -0.311 -4.810 1.744 1.00 0.00 H new ATOM 0 HA LYS A 41 1.291 -4.850 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.343 -6.495 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.589 -6.569 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.884 -4.043 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.837 -4.178 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.379 -5.825 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.411 -5.760 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.626 -3.230 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.868 -3.538 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.234 -3.581 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.656 -5.163 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.414 -4.726 3.078 1.00 0.00 H new ATOM 674 N ASP A 42 -0.707 -7.413 -0.118 1.00 0.00 N ATOM 675 CA ASP A 42 -1.315 -8.551 -0.809 1.00 0.00 C ATOM 676 C ASP A 42 -1.692 -8.173 -2.232 1.00 0.00 C ATOM 677 O ASP A 42 -1.286 -8.829 -3.190 1.00 0.00 O ATOM 678 CB ASP A 42 -2.567 -9.044 -0.071 1.00 0.00 C ATOM 679 CG ASP A 42 -2.285 -10.173 0.900 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.763 -11.222 0.460 1.00 0.00 O ATOM 681 OD2 ASP A 42 -2.626 -10.039 2.097 1.00 0.00 O ATOM 0 H ASP A 42 -1.159 -7.165 0.762 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.577 -9.353 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.012 -8.210 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.303 -9.378 -0.802 1.00 0.00 H new ATOM 686 N LYS A 43 -2.451 -7.092 -2.360 1.00 0.00 N ATOM 687 CA LYS A 43 -2.912 -6.624 -3.661 1.00 0.00 C ATOM 688 C LYS A 43 -1.739 -6.239 -4.559 1.00 0.00 C ATOM 689 O LYS A 43 -1.734 -6.551 -5.751 1.00 0.00 O ATOM 690 CB LYS A 43 -3.864 -5.438 -3.490 1.00 0.00 C ATOM 691 CG LYS A 43 -5.204 -5.823 -2.883 1.00 0.00 C ATOM 692 CD LYS A 43 -6.097 -4.612 -2.679 1.00 0.00 C ATOM 693 CE LYS A 43 -7.531 -5.015 -2.371 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.635 -5.816 -1.123 1.00 0.00 N ATOM 0 H LYS A 43 -2.762 -6.520 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.448 -7.442 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.389 -4.688 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.033 -4.974 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.706 -6.540 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.041 -6.320 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.706 -4.005 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.078 -3.991 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.146 -4.120 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.931 -5.592 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.102 -6.722 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.683 -5.996 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.193 -5.291 -0.419 1.00 0.00 H new ATOM 708 N ILE A 44 -0.742 -5.575 -3.984 1.00 0.00 N ATOM 709 CA ILE A 44 0.447 -5.187 -4.732 1.00 0.00 C ATOM 710 C ILE A 44 1.229 -6.421 -5.183 1.00 0.00 C ATOM 711 O ILE A 44 1.742 -6.465 -6.301 1.00 0.00 O ATOM 712 CB ILE A 44 1.354 -4.261 -3.893 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.578 -3.007 -3.477 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.603 -3.883 -4.679 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.371 -2.065 -2.602 1.00 0.00 C ATOM 0 H ILE A 44 -0.734 -5.295 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 44 0.119 -4.638 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 44 1.666 -4.793 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.258 -2.474 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.325 -3.309 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.231 -3.230 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.159 -4.785 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.315 -3.363 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.757 -1.201 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.668 -2.580 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.261 -1.733 -3.137 1.00 0.00 H new ATOM 727 N HIS A 45 1.283 -7.433 -4.323 1.00 0.00 N ATOM 728 CA HIS A 45 1.977 -8.680 -4.632 1.00 0.00 C ATOM 729 C HIS A 45 1.300 -9.411 -5.788 1.00 0.00 C ATOM 730 O HIS A 45 1.945 -10.136 -6.543 1.00 0.00 O ATOM 731 CB HIS A 45 2.021 -9.575 -3.391 1.00 0.00 C ATOM 732 CG HIS A 45 2.716 -10.882 -3.610 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.070 -10.985 -3.840 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.234 -12.148 -3.631 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.391 -12.258 -3.991 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.295 -12.984 -3.868 1.00 0.00 N ATOM 0 H HIS A 45 0.851 -7.414 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 45 2.996 -8.440 -4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.523 -9.038 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.001 -9.768 -3.058 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.722 -10.202 -3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.205 -12.444 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.383 -12.640 -4.183 1.00 0.00 H new ATOM 745 N ILE A 46 -0.002 -9.234 -5.909 1.00 0.00 N ATOM 746 CA ILE A 46 -0.752 -9.832 -7.002 1.00 0.00 C ATOM 747 C ILE A 46 -0.400 -9.150 -8.325 1.00 0.00 C ATOM 748 O ILE A 46 -0.379 -9.786 -9.382 1.00 0.00 O ATOM 749 CB ILE A 46 -2.270 -9.737 -6.738 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.611 -10.489 -5.451 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.068 -10.292 -7.910 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.012 -10.238 -4.942 1.00 0.00 C ATOM 0 H ILE A 46 -0.565 -8.680 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.480 -10.885 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.540 -8.687 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.485 -11.558 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.898 -10.204 -4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.134 -10.212 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.835 -9.723 -8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.807 -11.339 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.174 -10.808 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.139 -9.175 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.734 -10.550 -5.696 1.00 0.00 H new ATOM 764 N VAL A 47 -0.091 -7.862 -8.251 1.00 0.00 N ATOM 765 CA VAL A 47 0.268 -7.088 -9.438 1.00 0.00 C ATOM 766 C VAL A 47 1.749 -7.249 -9.786 1.00 0.00 C ATOM 767 O VAL A 47 2.095 -7.634 -10.904 1.00 0.00 O ATOM 768 CB VAL A 47 -0.041 -5.585 -9.249 1.00 0.00 C ATOM 769 CG1 VAL A 47 0.368 -4.784 -10.479 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.516 -5.378 -8.942 1.00 0.00 C ATOM 0 H VAL A 47 -0.081 -7.328 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.337 -7.479 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 47 0.543 -5.224 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.140 -3.730 -10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.438 -4.902 -10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.181 -5.147 -11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.715 -4.314 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.117 -5.761 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.775 -5.910 -8.027 1.00 0.00 H new ATOM 780 N GLU A 48 2.613 -6.964 -8.822 1.00 0.00 N ATOM 781 CA GLU A 48 4.051 -6.962 -9.054 1.00 0.00 C ATOM 782 C GLU A 48 4.672 -8.287 -8.599 1.00 0.00 C ATOM 783 O GLU A 48 4.046 -9.074 -7.888 1.00 0.00 O ATOM 784 CB GLU A 48 4.692 -5.781 -8.309 1.00 0.00 C ATOM 785 CG GLU A 48 5.759 -5.033 -9.108 1.00 0.00 C ATOM 786 CD GLU A 48 6.956 -5.896 -9.461 1.00 0.00 C ATOM 787 OE1 GLU A 48 7.715 -6.276 -8.546 1.00 0.00 O ATOM 788 OE2 GLU A 48 7.129 -6.221 -10.653 1.00 0.00 O ATOM 0 H GLU A 48 2.342 -6.730 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 48 4.238 -6.851 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.909 -5.078 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.139 -6.149 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.314 -4.648 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.097 -4.172 -8.532 1.00 0.00 H new ATOM 795 N ASN A 49 5.901 -8.522 -9.019 1.00 0.00 N ATOM 796 CA ASN A 49 6.621 -9.750 -8.706 1.00 0.00 C ATOM 797 C ASN A 49 7.144 -9.739 -7.275 1.00 0.00 C ATOM 798 O ASN A 49 7.319 -10.792 -6.664 1.00 0.00 O ATOM 799 CB ASN A 49 7.802 -9.919 -9.664 1.00 0.00 C ATOM 800 CG ASN A 49 7.377 -10.033 -11.114 1.00 0.00 C ATOM 801 OD1 ASN A 49 7.162 -11.132 -11.622 1.00 0.00 O ATOM 802 ND2 ASN A 49 7.247 -8.899 -11.789 1.00 0.00 N ATOM 0 H ASN A 49 6.434 -7.866 -9.590 1.00 0.00 H new ATOM 0 HA ASN A 49 5.923 -10.580 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.476 -9.069 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.364 -10.810 -9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.959 -8.918 -12.767 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.435 -8.008 -11.330 1.00 0.00 H new ATOM 809 N THR A 50 7.403 -8.545 -6.754 1.00 0.00 N ATOM 810 CA THR A 50 7.996 -8.385 -5.436 1.00 0.00 C ATOM 811 C THR A 50 7.172 -9.062 -4.337 1.00 0.00 C ATOM 812 O THR A 50 5.960 -8.855 -4.216 1.00 0.00 O ATOM 813 CB THR A 50 8.174 -6.898 -5.088 1.00 0.00 C ATOM 814 OG1 THR A 50 8.831 -6.220 -6.166 1.00 0.00 O ATOM 815 CG2 THR A 50 8.998 -6.741 -3.820 1.00 0.00 C ATOM 0 H THR A 50 7.208 -7.666 -7.233 1.00 0.00 H new ATOM 0 HA THR A 50 8.970 -8.872 -5.480 1.00 0.00 H new ATOM 0 HB THR A 50 7.188 -6.462 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.172 -5.976 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.113 -5.682 -3.590 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.492 -7.239 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.981 -7.189 -3.967 1.00 0.00 H new ATOM 823 N PRO A 51 7.832 -9.922 -3.554 1.00 0.00 N ATOM 824 CA PRO A 51 7.253 -10.516 -2.350 1.00 0.00 C ATOM 825 C PRO A 51 6.867 -9.458 -1.312 1.00 0.00 C ATOM 826 O PRO A 51 7.485 -8.395 -1.228 1.00 0.00 O ATOM 827 CB PRO A 51 8.370 -11.411 -1.806 1.00 0.00 C ATOM 828 CG PRO A 51 9.289 -11.637 -2.959 1.00 0.00 C ATOM 829 CD PRO A 51 9.192 -10.410 -3.817 1.00 0.00 C ATOM 0 HA PRO A 51 6.332 -11.056 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.890 -10.931 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.971 -12.353 -1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.312 -11.793 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.001 -12.527 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.945 -9.669 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.339 -10.644 -4.871 1.00 0.00 H new ATOM 837 N ILE A 52 5.865 -9.780 -0.507 1.00 0.00 N ATOM 838 CA ILE A 52 5.280 -8.836 0.443 1.00 0.00 C ATOM 839 C ILE A 52 6.294 -8.321 1.474 1.00 0.00 C ATOM 840 O ILE A 52 6.380 -7.117 1.713 1.00 0.00 O ATOM 841 CB ILE A 52 4.070 -9.482 1.159 1.00 0.00 C ATOM 842 CG1 ILE A 52 2.917 -9.651 0.164 1.00 0.00 C ATOM 843 CG2 ILE A 52 3.631 -8.662 2.362 1.00 0.00 C ATOM 844 CD1 ILE A 52 1.674 -10.281 0.754 1.00 0.00 C ATOM 0 H ILE A 52 5.432 -10.703 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 52 4.949 -7.971 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 52 4.370 -10.462 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.657 -8.674 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.259 -10.263 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.779 -9.145 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.454 -8.590 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.345 -7.662 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.907 -10.364 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.915 -11.274 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.303 -9.660 1.569 1.00 0.00 H new ATOM 856 N LYS A 53 7.067 -9.221 2.068 1.00 0.00 N ATOM 857 CA LYS A 53 7.984 -8.848 3.142 1.00 0.00 C ATOM 858 C LYS A 53 9.152 -7.986 2.655 1.00 0.00 C ATOM 859 O LYS A 53 9.766 -7.270 3.448 1.00 0.00 O ATOM 860 CB LYS A 53 8.520 -10.100 3.833 1.00 0.00 C ATOM 861 CG LYS A 53 7.433 -10.957 4.452 1.00 0.00 C ATOM 862 CD LYS A 53 8.021 -12.097 5.261 1.00 0.00 C ATOM 863 CE LYS A 53 8.761 -13.100 4.383 1.00 0.00 C ATOM 864 NZ LYS A 53 9.496 -14.107 5.194 1.00 0.00 N ATOM 0 H LYS A 53 7.079 -10.212 1.827 1.00 0.00 H new ATOM 0 HA LYS A 53 7.413 -8.246 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.075 -10.697 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.225 -9.804 4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.803 -10.341 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.793 -11.359 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.705 -11.696 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.223 -12.607 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.049 -13.607 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.462 -12.571 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.986 -14.771 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.193 -13.625 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.824 -14.630 5.791 1.00 0.00 H new ATOM 878 N ARG A 54 9.452 -8.037 1.362 1.00 0.00 N ATOM 879 CA ARG A 54 10.623 -7.337 0.839 1.00 0.00 C ATOM 880 C ARG A 54 10.290 -5.911 0.412 1.00 0.00 C ATOM 881 O ARG A 54 11.143 -5.028 0.465 1.00 0.00 O ATOM 882 CB ARG A 54 11.258 -8.100 -0.329 1.00 0.00 C ATOM 883 CG ARG A 54 11.955 -9.391 0.079 1.00 0.00 C ATOM 884 CD ARG A 54 10.963 -10.514 0.321 1.00 0.00 C ATOM 885 NE ARG A 54 11.603 -11.724 0.828 1.00 0.00 N ATOM 886 CZ ARG A 54 11.990 -12.743 0.061 1.00 0.00 C ATOM 887 NH1 ARG A 54 11.949 -12.641 -1.260 1.00 0.00 N ATOM 888 NH2 ARG A 54 12.449 -13.855 0.610 1.00 0.00 N ATOM 0 H ARG A 54 8.911 -8.547 0.664 1.00 0.00 H new ATOM 0 HA ARG A 54 11.345 -7.287 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.484 -8.333 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.980 -7.450 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.657 -9.687 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.538 -9.219 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.208 -10.181 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.444 -10.744 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 54 11.764 -11.794 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.620 -11.779 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.247 -13.424 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.508 -13.936 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.744 -14.632 0.018 1.00 0.00 H new ATOM 902 N MET A 55 9.056 -5.679 -0.008 1.00 0.00 N ATOM 903 CA MET A 55 8.646 -4.342 -0.414 1.00 0.00 C ATOM 904 C MET A 55 8.083 -3.573 0.772 1.00 0.00 C ATOM 905 O MET A 55 7.224 -4.072 1.502 1.00 0.00 O ATOM 906 CB MET A 55 7.623 -4.394 -1.553 1.00 0.00 C ATOM 907 CG MET A 55 6.410 -5.260 -1.267 1.00 0.00 C ATOM 908 SD MET A 55 5.275 -5.328 -2.665 1.00 0.00 S ATOM 909 CE MET A 55 4.040 -6.457 -2.038 1.00 0.00 C ATOM 0 H MET A 55 8.328 -6.390 -0.077 1.00 0.00 H new ATOM 0 HA MET A 55 9.530 -3.820 -0.782 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.287 -3.380 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.116 -4.766 -2.451 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.737 -6.269 -1.018 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.886 -4.871 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.128 -6.362 -2.627 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.412 -7.479 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.825 -6.219 -0.996 1.00 0.00 H new ATOM 919 N GLN A 56 8.593 -2.369 0.974 1.00 0.00 N ATOM 920 CA GLN A 56 8.141 -1.515 2.059 1.00 0.00 C ATOM 921 C GLN A 56 7.370 -0.325 1.515 1.00 0.00 C ATOM 922 O GLN A 56 7.765 0.283 0.522 1.00 0.00 O ATOM 923 CB GLN A 56 9.325 -1.043 2.904 1.00 0.00 C ATOM 924 CG GLN A 56 9.921 -2.134 3.783 1.00 0.00 C ATOM 925 CD GLN A 56 8.963 -2.637 4.852 1.00 0.00 C ATOM 926 OE1 GLN A 56 7.741 -2.635 4.675 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.514 -3.078 5.969 1.00 0.00 N ATOM 0 H GLN A 56 9.326 -1.959 0.395 1.00 0.00 H new ATOM 0 HA GLN A 56 7.475 -2.097 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.101 -0.656 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.003 -0.215 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.225 -2.971 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.822 -1.752 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.528 -3.064 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.925 -3.433 6.723 1.00 0.00 H new ATOM 936 N LEU A 57 6.270 -0.004 2.174 1.00 0.00 N ATOM 937 CA LEU A 57 5.389 1.059 1.724 1.00 0.00 C ATOM 938 C LEU A 57 5.670 2.335 2.505 1.00 0.00 C ATOM 939 O LEU A 57 5.722 2.315 3.731 1.00 0.00 O ATOM 940 CB LEU A 57 3.930 0.644 1.926 1.00 0.00 C ATOM 941 CG LEU A 57 3.558 -0.737 1.376 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.148 -1.114 1.799 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.684 -0.773 -0.141 1.00 0.00 C ATOM 0 H LEU A 57 5.964 -0.469 3.029 1.00 0.00 H new ATOM 0 HA LEU A 57 5.569 1.242 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.709 0.663 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.289 1.389 1.454 1.00 0.00 H new ATOM 0 HG LEU A 57 4.255 -1.465 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.899 -2.097 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.089 -1.138 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.443 -0.377 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.414 -1.764 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.016 -0.031 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.712 -0.549 -0.426 1.00 0.00 H new ATOM 955 N TYR A 58 5.871 3.431 1.801 1.00 0.00 N ATOM 956 CA TYR A 58 6.085 4.715 2.444 1.00 0.00 C ATOM 957 C TYR A 58 4.995 5.700 2.048 1.00 0.00 C ATOM 958 O TYR A 58 4.801 5.982 0.867 1.00 0.00 O ATOM 959 CB TYR A 58 7.458 5.278 2.080 1.00 0.00 C ATOM 960 CG TYR A 58 8.609 4.543 2.731 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.195 3.440 2.123 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.111 4.961 3.954 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.250 2.775 2.718 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.164 4.301 4.556 1.00 0.00 C ATOM 965 CZ TYR A 58 10.732 3.209 3.932 1.00 0.00 C ATOM 966 OH TYR A 58 11.784 2.549 4.526 1.00 0.00 O ATOM 0 H TYR A 58 5.891 3.460 0.782 1.00 0.00 H new ATOM 0 HA TYR A 58 6.045 4.564 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.581 5.241 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.499 6.328 2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.820 3.097 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.671 5.817 4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.694 1.919 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.541 4.638 5.510 1.00 0.00 H new ATOM 0 HH TYR A 58 11.487 2.155 5.373 1.00 0.00 H new ATOM 976 N TYR A 59 4.287 6.217 3.040 1.00 0.00 N ATOM 977 CA TYR A 59 3.215 7.170 2.799 1.00 0.00 C ATOM 978 C TYR A 59 3.555 8.529 3.394 1.00 0.00 C ATOM 979 O TYR A 59 3.474 8.722 4.608 1.00 0.00 O ATOM 980 CB TYR A 59 1.898 6.652 3.385 1.00 0.00 C ATOM 981 CG TYR A 59 0.753 7.634 3.277 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.298 8.059 2.038 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.131 8.135 4.413 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.746 8.953 1.931 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.917 9.031 4.315 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.350 9.438 3.070 1.00 0.00 C ATOM 987 OH TYR A 59 -2.397 10.326 2.959 1.00 0.00 O ATOM 0 H TYR A 59 4.436 5.991 4.023 1.00 0.00 H new ATOM 0 HA TYR A 59 3.100 7.285 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.622 5.729 2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.052 6.402 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.769 7.683 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.471 7.820 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.089 9.272 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.394 9.410 5.207 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.019 10.193 3.704 1.00 0.00 H new ATOM 997 N SER A 60 3.972 9.449 2.527 1.00 0.00 N ATOM 998 CA SER A 60 4.202 10.846 2.900 1.00 0.00 C ATOM 999 C SER A 60 5.107 10.988 4.130 1.00 0.00 C ATOM 1000 O SER A 60 4.953 11.922 4.921 1.00 0.00 O ATOM 1001 CB SER A 60 2.855 11.531 3.142 1.00 0.00 C ATOM 1002 OG SER A 60 2.031 11.441 1.989 1.00 0.00 O ATOM 0 H SER A 60 4.161 9.248 1.545 1.00 0.00 H new ATOM 0 HA SER A 60 4.725 11.330 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.353 11.067 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.015 12.578 3.400 1.00 0.00 H new ATOM 0 HG SER A 60 1.174 11.883 2.164 1.00 0.00 H new ATOM 1008 N GLY A 61 6.055 10.071 4.280 1.00 0.00 N ATOM 1009 CA GLY A 61 6.999 10.162 5.374 1.00 0.00 C ATOM 1010 C GLY A 61 6.848 9.042 6.385 1.00 0.00 C ATOM 1011 O GLY A 61 7.758 8.791 7.177 1.00 0.00 O ATOM 0 H GLY A 61 6.186 9.268 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.013 10.148 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.869 11.119 5.879 1.00 0.00 H new ATOM 1015 N ILE A 62 5.706 8.369 6.372 1.00 0.00 N ATOM 1016 CA ILE A 62 5.464 7.276 7.304 1.00 0.00 C ATOM 1017 C ILE A 62 5.740 5.933 6.640 1.00 0.00 C ATOM 1018 O ILE A 62 5.201 5.637 5.572 1.00 0.00 O ATOM 1019 CB ILE A 62 4.014 7.272 7.854 1.00 0.00 C ATOM 1020 CG1 ILE A 62 3.692 8.573 8.597 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.796 6.080 8.773 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.204 9.690 7.700 1.00 0.00 C ATOM 0 H ILE A 62 4.936 8.559 5.730 1.00 0.00 H new ATOM 0 HA ILE A 62 6.146 7.431 8.140 1.00 0.00 H new ATOM 0 HB ILE A 62 3.339 7.193 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.933 8.370 9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.585 8.908 9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.773 6.093 9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.967 5.157 8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.492 6.134 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.998 10.576 8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.970 9.924 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.292 9.376 7.192 1.00 0.00 H new ATOM 1034 N GLU A 63 6.597 5.140 7.265 1.00 0.00 N ATOM 1035 CA GLU A 63 6.863 3.787 6.808 1.00 0.00 C ATOM 1036 C GLU A 63 5.748 2.856 7.271 1.00 0.00 C ATOM 1037 O GLU A 63 5.511 2.700 8.471 1.00 0.00 O ATOM 1038 CB GLU A 63 8.215 3.302 7.339 1.00 0.00 C ATOM 1039 CG GLU A 63 8.576 1.889 6.908 1.00 0.00 C ATOM 1040 CD GLU A 63 9.929 1.456 7.429 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.053 1.223 8.647 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.882 1.364 6.628 1.00 0.00 O ATOM 0 H GLU A 63 7.123 5.414 8.095 1.00 0.00 H new ATOM 0 HA GLU A 63 6.899 3.782 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.994 3.985 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.204 3.347 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.813 1.197 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.573 1.832 5.819 1.00 0.00 H new ATOM 1049 N LEU A 64 5.057 2.254 6.316 1.00 0.00 N ATOM 1050 CA LEU A 64 3.969 1.340 6.615 1.00 0.00 C ATOM 1051 C LEU A 64 4.536 -0.054 6.849 1.00 0.00 C ATOM 1052 O LEU A 64 4.531 -0.904 5.952 1.00 0.00 O ATOM 1053 CB LEU A 64 2.952 1.313 5.466 1.00 0.00 C ATOM 1054 CG LEU A 64 2.530 2.685 4.925 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.479 2.531 3.838 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.009 3.575 6.041 1.00 0.00 C ATOM 0 H LEU A 64 5.233 2.384 5.320 1.00 0.00 H new ATOM 0 HA LEU A 64 3.454 1.680 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.373 0.732 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.060 0.786 5.806 1.00 0.00 H new ATOM 0 HG LEU A 64 3.411 3.161 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.192 3.515 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.887 1.939 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.603 2.029 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.717 4.541 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.145 3.104 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.791 3.719 6.786 1.00 0.00 H new ATOM 1068 N ALA A 65 5.067 -0.264 8.042 1.00 0.00 N ATOM 1069 CA ALA A 65 5.730 -1.515 8.371 1.00 0.00 C ATOM 1070 C ALA A 65 4.861 -2.391 9.262 1.00 0.00 C ATOM 1071 O ALA A 65 5.184 -3.555 9.504 1.00 0.00 O ATOM 1072 CB ALA A 65 7.067 -1.238 9.042 1.00 0.00 C ATOM 0 H ALA A 65 5.052 0.418 8.801 1.00 0.00 H new ATOM 0 HA ALA A 65 5.902 -2.058 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.555 -2.182 9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.701 -0.664 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.904 -0.669 9.957 1.00 0.00 H new ATOM 1078 N ASP A 66 3.755 -1.841 9.746 1.00 0.00 N ATOM 1079 CA ASP A 66 2.874 -2.586 10.634 1.00 0.00 C ATOM 1080 C ASP A 66 1.825 -3.347 9.841 1.00 0.00 C ATOM 1081 O ASP A 66 0.778 -2.810 9.491 1.00 0.00 O ATOM 1082 CB ASP A 66 2.196 -1.670 11.651 1.00 0.00 C ATOM 1083 CG ASP A 66 3.166 -1.081 12.653 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.907 -1.854 13.297 1.00 0.00 O ATOM 1085 OD2 ASP A 66 3.171 0.154 12.822 1.00 0.00 O ATOM 0 H ASP A 66 3.449 -0.890 9.541 1.00 0.00 H new ATOM 0 HA ASP A 66 3.492 -3.299 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.691 -0.861 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.428 -2.232 12.183 1.00 0.00 H new ATOM 1090 N ASP A 67 2.123 -4.611 9.583 1.00 0.00 N ATOM 1091 CA ASP A 67 1.282 -5.494 8.772 1.00 0.00 C ATOM 1092 C ASP A 67 -0.119 -5.632 9.361 1.00 0.00 C ATOM 1093 O ASP A 67 -1.093 -5.869 8.643 1.00 0.00 O ATOM 1094 CB ASP A 67 1.958 -6.865 8.723 1.00 0.00 C ATOM 1095 CG ASP A 67 1.370 -7.818 7.706 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.718 -7.714 6.511 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.596 -8.714 8.108 1.00 0.00 O ATOM 0 H ASP A 67 2.967 -5.064 9.934 1.00 0.00 H new ATOM 0 HA ASP A 67 1.174 -5.071 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.017 -6.727 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.895 -7.323 9.710 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.208 -5.453 10.669 1.00 0.00 N ATOM 1103 CA TYR A 68 -1.446 -5.683 11.396 1.00 0.00 C ATOM 1104 C TYR A 68 -2.362 -4.451 11.410 1.00 0.00 C ATOM 1105 O TYR A 68 -3.539 -4.560 11.750 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.136 -6.130 12.833 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.099 -5.275 13.537 1.00 0.00 C ATOM 1108 CD1 TYR A 68 1.258 -5.544 13.397 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -0.474 -4.198 14.330 1.00 0.00 C ATOM 1110 CE1 TYR A 68 2.210 -4.768 14.027 1.00 0.00 C ATOM 1111 CE2 TYR A 68 0.475 -3.411 14.964 1.00 0.00 C ATOM 1112 CZ TYR A 68 1.817 -3.701 14.808 1.00 0.00 C ATOM 1113 OH TYR A 68 2.770 -2.913 15.420 1.00 0.00 O ATOM 0 H TYR A 68 0.570 -5.146 11.253 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.984 -6.473 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.058 -6.115 13.414 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.788 -7.163 12.814 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.573 -6.375 12.784 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.522 -3.970 14.455 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.259 -4.995 13.909 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.167 -2.576 15.576 1.00 0.00 H new ATOM 0 HH TYR A 68 3.462 -2.672 14.769 1.00 0.00 H new ATOM 1123 N ARG A 69 -1.838 -3.285 11.036 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.638 -2.060 11.072 1.00 0.00 C ATOM 1125 C ARG A 69 -3.370 -1.849 9.754 1.00 0.00 C ATOM 1126 O ARG A 69 -3.073 -2.508 8.759 1.00 0.00 O ATOM 1127 CB ARG A 69 -1.772 -0.832 11.370 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.024 -0.903 12.689 1.00 0.00 C ATOM 1129 CD ARG A 69 -0.451 0.452 13.075 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.481 1.341 13.611 1.00 0.00 N ATOM 1131 CZ ARG A 69 -1.255 2.587 14.026 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -0.039 3.119 13.936 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -2.254 3.302 14.534 1.00 0.00 N ATOM 0 H ARG A 69 -0.880 -3.162 10.710 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.366 -2.179 11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.051 -0.705 10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.407 0.054 11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.697 -1.252 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.218 -1.633 12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.335 0.317 13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.011 0.914 12.202 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.435 0.984 13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.729 2.572 13.547 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.125 4.073 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.187 2.896 14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.087 4.256 14.853 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.327 -0.931 9.757 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.061 -0.588 8.547 1.00 0.00 C ATOM 1149 C ASN A 70 -4.562 0.734 7.981 1.00 0.00 C ATOM 1150 O ASN A 70 -3.801 1.450 8.632 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.563 -0.477 8.815 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.207 -1.788 9.215 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -6.723 -2.864 8.879 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.322 -1.701 9.920 1.00 0.00 N ATOM 0 H ASN A 70 -4.613 -0.410 10.586 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.891 -1.389 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.729 0.256 9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.056 -0.098 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.813 -2.549 10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.691 -0.786 10.179 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.011 1.060 6.776 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.620 2.301 6.120 1.00 0.00 C ATOM 1163 C LEU A 71 -5.208 3.508 6.840 1.00 0.00 C ATOM 1164 O LEU A 71 -4.596 4.576 6.879 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.075 2.303 4.660 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.571 1.131 3.818 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.007 1.294 2.373 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.058 1.013 3.911 1.00 0.00 C ATOM 0 H LEU A 71 -5.649 0.480 6.231 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.533 2.367 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.165 2.304 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.745 3.232 4.195 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.007 0.212 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.641 0.452 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.095 1.326 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.598 2.221 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.721 0.173 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.598 1.932 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.769 0.850 4.949 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.398 3.336 7.412 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.067 4.419 8.135 1.00 0.00 C ATOM 1182 C ASN A 72 -6.249 4.847 9.351 1.00 0.00 C ATOM 1183 O ASN A 72 -6.299 6.002 9.765 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.493 4.024 8.553 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.539 2.873 9.544 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -8.596 1.708 9.158 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -8.548 3.192 10.826 1.00 0.00 N ATOM 0 H ASN A 72 -6.919 2.459 7.390 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.144 5.267 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.987 4.891 8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.061 3.750 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.604 2.459 11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.499 4.171 11.108 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.480 3.912 9.903 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.612 4.194 11.041 1.00 0.00 C ATOM 1196 C GLU A 73 -3.568 5.250 10.689 1.00 0.00 C ATOM 1197 O GLU A 73 -3.187 6.066 11.526 1.00 0.00 O ATOM 1198 CB GLU A 73 -3.912 2.913 11.488 1.00 0.00 C ATOM 1199 CG GLU A 73 -4.845 1.886 12.098 1.00 0.00 C ATOM 1200 CD GLU A 73 -5.339 2.298 13.465 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -4.630 2.037 14.458 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -6.439 2.877 13.555 1.00 0.00 O ATOM 0 H GLU A 73 -5.441 2.946 9.577 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.231 4.579 11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.408 2.468 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.141 3.167 12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.698 1.736 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.328 0.929 12.174 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.111 5.226 9.446 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.090 6.158 8.992 1.00 0.00 C ATOM 1211 C TYR A 74 -2.726 7.404 8.381 1.00 0.00 C ATOM 1212 O TYR A 74 -2.052 8.411 8.156 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.171 5.480 7.974 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.423 4.283 8.523 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.687 4.451 9.341 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -0.820 2.987 8.215 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.383 3.362 9.832 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.132 1.893 8.704 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.970 2.086 9.512 1.00 0.00 C ATOM 1220 OH TYR A 74 1.665 0.999 9.998 1.00 0.00 O ATOM 0 H TYR A 74 -3.431 4.571 8.733 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.498 6.464 9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.766 5.163 7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.449 6.210 7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.012 5.449 9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.681 2.832 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.247 3.510 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.455 0.893 8.455 1.00 0.00 H new ATOM 0 HH TYR A 74 1.948 1.177 10.919 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.026 7.336 8.129 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.729 8.456 7.532 1.00 0.00 C ATOM 1232 C GLY A 75 -4.497 8.541 6.038 1.00 0.00 C ATOM 1233 O GLY A 75 -4.040 9.564 5.530 1.00 0.00 O ATOM 0 H GLY A 75 -4.609 6.523 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.797 8.360 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.401 9.383 8.003 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.798 7.459 5.336 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.587 7.398 3.900 1.00 0.00 C ATOM 1239 C ILE A 76 -5.895 7.628 3.147 1.00 0.00 C ATOM 1240 O ILE A 76 -6.876 6.912 3.352 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.978 6.039 3.489 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.650 5.819 4.222 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.777 5.974 1.980 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.968 4.512 3.883 1.00 0.00 C ATOM 0 H ILE A 76 -5.191 6.609 5.741 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.886 8.190 3.636 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.670 5.245 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.975 6.641 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.830 5.855 5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.347 5.009 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.738 6.095 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.102 6.771 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.036 4.432 4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.622 3.681 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.754 4.480 2.815 1.00 0.00 H new ATOM 1256 N THR A 77 -5.903 8.640 2.291 1.00 0.00 N ATOM 1257 CA THR A 77 -7.068 8.952 1.478 1.00 0.00 C ATOM 1258 C THR A 77 -6.775 8.621 0.010 1.00 0.00 C ATOM 1259 O THR A 77 -5.746 8.017 -0.301 1.00 0.00 O ATOM 1260 CB THR A 77 -7.473 10.443 1.637 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.715 10.717 0.965 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.386 11.369 1.103 1.00 0.00 C ATOM 0 H THR A 77 -5.109 9.263 2.142 1.00 0.00 H new ATOM 0 HA THR A 77 -7.907 8.345 1.818 1.00 0.00 H new ATOM 0 HB THR A 77 -7.601 10.631 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.949 11.662 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.698 12.406 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.461 11.199 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.221 11.165 0.045 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.675 9.007 -0.884 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.521 8.728 -2.305 1.00 0.00 C ATOM 1272 C GLU A 78 -6.461 9.637 -2.929 1.00 0.00 C ATOM 1273 O GLU A 78 -6.206 10.739 -2.433 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.867 8.894 -3.022 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.795 8.652 -4.523 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.157 8.566 -5.173 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.706 9.615 -5.567 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.676 7.440 -5.301 1.00 0.00 O ATOM 0 H GLU A 78 -8.525 9.518 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.187 7.697 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.589 8.203 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.242 9.902 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.226 9.457 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.250 7.727 -4.711 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.834 9.144 -4.000 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.789 9.872 -4.722 1.00 0.00 C ATOM 1287 C PHE A 79 -3.542 10.005 -3.862 1.00 0.00 C ATOM 1288 O PHE A 79 -2.703 10.877 -4.085 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.275 11.253 -5.187 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.310 11.194 -6.277 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.001 10.649 -7.515 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.591 11.679 -6.066 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -6.948 10.593 -8.520 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.542 11.625 -7.067 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.220 11.080 -8.294 1.00 0.00 C ATOM 0 H PHE A 79 -6.038 8.225 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.541 9.295 -5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.689 11.789 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.420 11.829 -5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.008 10.264 -7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.849 12.104 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.694 10.169 -9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.536 12.009 -6.890 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.963 11.035 -9.077 1.00 0.00 H new ATOM 1305 N SER A 80 -3.425 9.121 -2.886 1.00 0.00 N ATOM 1306 CA SER A 80 -2.263 9.077 -2.024 1.00 0.00 C ATOM 1307 C SER A 80 -1.066 8.511 -2.776 1.00 0.00 C ATOM 1308 O SER A 80 -1.216 7.649 -3.646 1.00 0.00 O ATOM 1309 CB SER A 80 -2.577 8.233 -0.793 1.00 0.00 C ATOM 1310 OG SER A 80 -3.347 7.093 -1.144 1.00 0.00 O ATOM 0 H SER A 80 -4.132 8.417 -2.672 1.00 0.00 H new ATOM 0 HA SER A 80 -2.011 10.088 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.649 7.917 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.121 8.834 -0.064 1.00 0.00 H new ATOM 0 HG SER A 80 -4.285 7.245 -0.903 1.00 0.00 H new ATOM 1316 N GLU A 81 0.114 9.008 -2.453 1.00 0.00 N ATOM 1317 CA GLU A 81 1.328 8.564 -3.108 1.00 0.00 C ATOM 1318 C GLU A 81 2.062 7.565 -2.227 1.00 0.00 C ATOM 1319 O GLU A 81 2.727 7.938 -1.258 1.00 0.00 O ATOM 1320 CB GLU A 81 2.227 9.762 -3.427 1.00 0.00 C ATOM 1321 CG GLU A 81 3.396 9.424 -4.336 1.00 0.00 C ATOM 1322 CD GLU A 81 4.249 10.631 -4.661 1.00 0.00 C ATOM 1323 OE1 GLU A 81 3.706 11.757 -4.685 1.00 0.00 O ATOM 1324 OE2 GLU A 81 5.466 10.463 -4.889 1.00 0.00 O ATOM 0 H GLU A 81 0.256 9.722 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 81 1.064 8.073 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.626 10.541 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.611 10.175 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.015 8.664 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.018 8.991 -5.262 1.00 0.00 H new ATOM 1331 N ILE A 82 1.910 6.293 -2.551 1.00 0.00 N ATOM 1332 CA ILE A 82 2.566 5.236 -1.809 1.00 0.00 C ATOM 1333 C ILE A 82 3.875 4.876 -2.484 1.00 0.00 C ATOM 1334 O ILE A 82 3.895 4.260 -3.552 1.00 0.00 O ATOM 1335 CB ILE A 82 1.687 3.974 -1.699 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.320 4.320 -1.105 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.381 2.911 -0.855 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.393 5.024 0.232 1.00 0.00 C ATOM 0 H ILE A 82 1.334 5.968 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 82 2.748 5.607 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 82 1.535 3.574 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.221 4.953 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.258 3.403 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.746 2.028 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.330 2.641 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.564 3.303 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.615 5.236 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.905 4.385 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.942 5.959 0.121 1.00 0.00 H new ATOM 1350 N VAL A 83 4.963 5.282 -1.868 1.00 0.00 N ATOM 1351 CA VAL A 83 6.277 5.034 -2.422 1.00 0.00 C ATOM 1352 C VAL A 83 6.798 3.700 -1.916 1.00 0.00 C ATOM 1353 O VAL A 83 7.007 3.513 -0.718 1.00 0.00 O ATOM 1354 CB VAL A 83 7.272 6.152 -2.064 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.534 6.024 -2.904 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.634 7.521 -2.257 1.00 0.00 C ATOM 0 H VAL A 83 4.964 5.786 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 83 6.183 5.012 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 83 7.544 6.050 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.229 6.821 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.001 5.058 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.277 6.101 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.354 8.298 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.332 7.638 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.759 7.609 -1.613 1.00 0.00 H new ATOM 1366 N VAL A 84 6.981 2.771 -2.830 1.00 0.00 N ATOM 1367 CA VAL A 84 7.374 1.422 -2.482 1.00 0.00 C ATOM 1368 C VAL A 84 8.879 1.238 -2.626 1.00 0.00 C ATOM 1369 O VAL A 84 9.415 1.197 -3.735 1.00 0.00 O ATOM 1370 CB VAL A 84 6.641 0.390 -3.363 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.031 -1.030 -2.980 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.134 0.571 -3.260 1.00 0.00 C ATOM 0 H VAL A 84 6.862 2.928 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 84 7.097 1.259 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 84 6.942 0.558 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.500 -1.737 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.105 -1.160 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.768 -1.211 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.635 -0.166 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.821 0.436 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.864 1.573 -3.593 1.00 0.00 H new ATOM 1382 N PHE A 85 9.558 1.146 -1.497 1.00 0.00 N ATOM 1383 CA PHE A 85 10.986 0.901 -1.488 1.00 0.00 C ATOM 1384 C PHE A 85 11.264 -0.582 -1.302 1.00 0.00 C ATOM 1385 O PHE A 85 10.884 -1.177 -0.290 1.00 0.00 O ATOM 1386 CB PHE A 85 11.669 1.715 -0.392 1.00 0.00 C ATOM 1387 CG PHE A 85 11.963 3.135 -0.796 1.00 0.00 C ATOM 1388 CD1 PHE A 85 13.129 3.444 -1.478 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.078 4.158 -0.496 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.406 4.746 -1.853 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.351 5.461 -0.868 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.517 5.756 -1.548 1.00 0.00 C ATOM 0 H PHE A 85 9.140 1.238 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 85 11.395 1.215 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.034 1.721 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.601 1.224 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.830 2.659 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.164 3.935 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.318 4.972 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.653 6.249 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.732 6.773 -1.840 1.00 0.00 H new ATOM 1402 N LEU A 86 11.916 -1.175 -2.288 1.00 0.00 N ATOM 1403 CA LEU A 86 12.179 -2.603 -2.279 1.00 0.00 C ATOM 1404 C LEU A 86 13.456 -2.910 -1.514 1.00 0.00 C ATOM 1405 O LEU A 86 14.539 -2.441 -1.873 1.00 0.00 O ATOM 1406 CB LEU A 86 12.287 -3.128 -3.712 1.00 0.00 C ATOM 1407 CG LEU A 86 11.141 -2.716 -4.639 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.240 -3.447 -5.963 1.00 0.00 C ATOM 1409 CD2 LEU A 86 9.796 -2.983 -3.985 1.00 0.00 C ATOM 0 H LEU A 86 12.274 -0.686 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 86 11.349 -3.102 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.226 -2.778 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.337 -4.216 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 86 11.223 -1.645 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.417 -3.142 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.188 -3.204 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.186 -4.522 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.996 -2.683 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.704 -4.046 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.722 -2.412 -3.060 1.00 0.00 H new ATOM 1421 N LYS A 87 13.326 -3.694 -0.458 1.00 0.00 N ATOM 1422 CA LYS A 87 14.465 -4.062 0.362 1.00 0.00 C ATOM 1423 C LYS A 87 15.105 -5.340 -0.173 1.00 0.00 C ATOM 1424 O LYS A 87 15.010 -6.408 0.433 1.00 0.00 O ATOM 1425 CB LYS A 87 14.040 -4.239 1.822 1.00 0.00 C ATOM 1426 CG LYS A 87 13.247 -3.063 2.376 1.00 0.00 C ATOM 1427 CD LYS A 87 14.025 -1.762 2.270 1.00 0.00 C ATOM 1428 CE LYS A 87 13.184 -0.578 2.716 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.938 0.699 2.645 1.00 0.00 N ATOM 0 H LYS A 87 12.438 -4.089 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 87 15.202 -3.260 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.439 -5.144 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.929 -4.387 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.306 -2.970 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.995 -3.253 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.925 -1.823 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.350 -1.613 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.295 -0.509 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.842 -0.741 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.327 1.481 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.773 0.644 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.242 0.868 1.665 1.00 0.00 H new ATOM 1443 N SER A 88 15.707 -5.222 -1.343 1.00 0.00 N ATOM 1444 CA SER A 88 16.430 -6.316 -1.971 1.00 0.00 C ATOM 1445 C SER A 88 17.608 -5.749 -2.755 1.00 0.00 C ATOM 1446 O SER A 88 17.448 -5.270 -3.877 1.00 0.00 O ATOM 1447 CB SER A 88 15.505 -7.114 -2.898 1.00 0.00 C ATOM 1448 OG SER A 88 14.370 -7.596 -2.193 1.00 0.00 O ATOM 0 H SER A 88 15.709 -4.360 -1.888 1.00 0.00 H new ATOM 0 HA SER A 88 16.798 -6.994 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.182 -6.483 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.052 -7.952 -3.330 1.00 0.00 H new ATOM 0 HG SER A 88 13.794 -8.100 -2.805 1.00 0.00 H new ATOM 1454 N ILE A 89 18.784 -5.767 -2.143 1.00 0.00 N ATOM 1455 CA ILE A 89 19.957 -5.137 -2.739 1.00 0.00 C ATOM 1456 C ILE A 89 21.057 -6.147 -3.043 1.00 0.00 C ATOM 1457 O ILE A 89 22.141 -5.776 -3.498 1.00 0.00 O ATOM 1458 CB ILE A 89 20.524 -4.026 -1.828 1.00 0.00 C ATOM 1459 CG1 ILE A 89 20.813 -4.575 -0.426 1.00 0.00 C ATOM 1460 CG2 ILE A 89 19.556 -2.852 -1.758 1.00 0.00 C ATOM 1461 CD1 ILE A 89 21.402 -3.551 0.522 1.00 0.00 C ATOM 0 H ILE A 89 18.952 -6.208 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 89 19.622 -4.696 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 89 21.462 -3.673 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 89 19.887 -4.961 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.501 -5.416 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 89 19.970 -2.077 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 89 19.402 -2.447 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 89 18.602 -3.190 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.579 -4.014 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 89 22.345 -3.182 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.707 -2.720 0.637 1.00 0.00 H new ATOM 1473 N ASN A 90 20.780 -7.419 -2.797 1.00 0.00 N ATOM 1474 CA ASN A 90 21.743 -8.471 -3.092 1.00 0.00 C ATOM 1475 C ASN A 90 21.529 -8.974 -4.509 1.00 0.00 C ATOM 1476 O ASN A 90 22.480 -9.305 -5.218 1.00 0.00 O ATOM 1477 CB ASN A 90 21.623 -9.626 -2.095 1.00 0.00 C ATOM 1478 CG ASN A 90 21.948 -9.210 -0.669 1.00 0.00 C ATOM 1479 OD1 ASN A 90 21.366 -9.725 0.284 1.00 0.00 O ATOM 1480 ND2 ASN A 90 22.889 -8.286 -0.506 1.00 0.00 N ATOM 0 H ASN A 90 19.901 -7.747 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 90 22.747 -8.056 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.610 -10.026 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 90 22.294 -10.431 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.149 -7.983 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 90 23.351 -7.880 -1.319 1.00 0.00 H new ATOM 1487 N ARG A 91 20.271 -9.022 -4.917 1.00 0.00 N ATOM 1488 CA ARG A 91 19.922 -9.350 -6.287 1.00 0.00 C ATOM 1489 C ARG A 91 18.929 -8.327 -6.815 1.00 0.00 C ATOM 1490 O ARG A 91 17.780 -8.275 -6.373 1.00 0.00 O ATOM 1491 CB ARG A 91 19.354 -10.771 -6.386 1.00 0.00 C ATOM 1492 CG ARG A 91 18.902 -11.146 -7.790 1.00 0.00 C ATOM 1493 CD ARG A 91 19.070 -12.634 -8.057 1.00 0.00 C ATOM 1494 NE ARG A 91 20.478 -13.029 -8.006 1.00 0.00 N ATOM 1495 CZ ARG A 91 21.245 -13.194 -9.086 1.00 0.00 C ATOM 1496 NH1 ARG A 91 20.711 -13.118 -10.302 1.00 0.00 N ATOM 1497 NH2 ARG A 91 22.541 -13.460 -8.950 1.00 0.00 N ATOM 0 H ARG A 91 19.470 -8.836 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 91 20.823 -9.318 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 91 20.112 -11.481 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 91 18.509 -10.865 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.856 -10.869 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 91 19.477 -10.578 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.504 -13.204 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 91 18.657 -12.879 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 91 20.899 -13.188 -7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 91 19.714 -12.933 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 91 21.299 -13.244 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.951 -13.538 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.125 -13.586 -9.777 1.00 0.00 H new ATOM 1511 N ALA A 92 19.391 -7.504 -7.748 1.00 0.00 N ATOM 1512 CA ALA A 92 18.593 -6.408 -8.273 1.00 0.00 C ATOM 1513 C ALA A 92 17.424 -6.916 -9.103 1.00 0.00 C ATOM 1514 O ALA A 92 17.465 -8.019 -9.652 1.00 0.00 O ATOM 1515 CB ALA A 92 19.458 -5.475 -9.108 1.00 0.00 C ATOM 0 H ALA A 92 20.322 -7.578 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 92 18.189 -5.858 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.846 -4.660 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.257 -5.067 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 92 19.892 -6.029 -9.941 1.00 0.00 H new ATOM 1521 N LYS A 93 16.388 -6.102 -9.187 1.00 0.00 N ATOM 1522 CA LYS A 93 15.224 -6.405 -10.001 1.00 0.00 C ATOM 1523 C LYS A 93 14.666 -5.120 -10.585 1.00 0.00 C ATOM 1524 O LYS A 93 14.983 -4.027 -10.106 1.00 0.00 O ATOM 1525 CB LYS A 93 14.138 -7.100 -9.171 1.00 0.00 C ATOM 1526 CG LYS A 93 13.727 -6.313 -7.935 1.00 0.00 C ATOM 1527 CD LYS A 93 12.479 -6.881 -7.274 1.00 0.00 C ATOM 1528 CE LYS A 93 11.194 -6.406 -7.951 1.00 0.00 C ATOM 1529 NZ LYS A 93 10.896 -7.134 -9.212 1.00 0.00 N ATOM 0 H LYS A 93 16.329 -5.212 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 93 15.531 -7.078 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.261 -7.263 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.498 -8.082 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.547 -6.314 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.547 -5.274 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.520 -7.970 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.463 -6.589 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.359 -6.530 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.275 -5.340 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.868 -7.262 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.251 -6.586 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.360 -8.065 -9.194 1.00 0.00 H new ATOM 1543 N ASP A 94 13.849 -5.246 -11.611 1.00 0.00 N ATOM 1544 CA ASP A 94 13.159 -4.099 -12.170 1.00 0.00 C ATOM 1545 C ASP A 94 11.794 -3.985 -11.523 1.00 0.00 C ATOM 1546 O ASP A 94 10.913 -4.804 -11.857 1.00 0.00 O ATOM 1547 CB ASP A 94 13.020 -4.228 -13.687 1.00 0.00 C ATOM 1548 CG ASP A 94 12.446 -2.976 -14.326 1.00 0.00 C ATOM 1549 OD1 ASP A 94 13.183 -1.970 -14.429 1.00 0.00 O ATOM 1550 OD2 ASP A 94 11.268 -2.995 -14.754 1.00 0.00 O ATOM 1551 OXT ASP A 94 11.621 -3.113 -10.655 1.00 0.00 O ATOM 0 H ASP A 94 13.646 -6.131 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 94 13.740 -3.199 -11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.997 -4.439 -14.122 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.378 -5.078 -13.919 1.00 0.00 H new TER 1556 ASP A 94