USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : T 1 GLY N :NH3+ -127:sc= 0 (180deg=-0.869) USER MOD Single : T 3 TYR OH : rot 180:sc= 0 USER MOD Single : T 4 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-9.7!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 145:sc= 0.166 (180deg=-0.155) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.286 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-6.4!) USER MOD Single : T 32 THR OG1 : rot 170:sc= -0.701 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= -0.0591 K(o=-0.059,f=-3!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS :FLIP no HD1:sc= -8.13! C(o=-9.3!,f=-8.1!) USER MOD Single : T 52 MET CE :methyl -151:sc= -1.55 (180deg=-1.7) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 142:sc= 0.149 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN :FLIP amide:sc= -0.667 F(o=-2.2,f=-0.67) USER MOD Single : T 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0359) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.8) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 131:sc= -0.869 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -1.82 K(o=-1.8,f=-7.6!) USER MOD Single : T 96 HIS : no HD1:sc= -0.0671 K(o=-0.067,f=-1.1) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -12.462 2.846 7.464 1.00 0.00 N ATOM 2 CA GLY T 1 -11.048 3.048 7.886 1.00 0.00 C ATOM 3 C GLY T 1 -10.081 2.987 6.721 1.00 0.00 C ATOM 4 O GLY T 1 -10.311 3.606 5.683 1.00 0.00 O ATOM 0 H1 GLY T 1 -13.046 3.630 7.820 1.00 0.00 H new ATOM 0 H2 GLY T 1 -12.514 2.819 6.426 1.00 0.00 H new ATOM 0 H3 GLY T 1 -12.815 1.948 7.851 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -10.955 4.014 8.382 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -10.778 2.287 8.618 1.00 0.00 H new ATOM 10 N VAL T 2 -8.996 2.239 6.893 1.00 0.00 N ATOM 11 CA VAL T 2 -7.990 2.099 5.848 1.00 0.00 C ATOM 12 C VAL T 2 -8.349 0.971 4.886 1.00 0.00 C ATOM 13 O VAL T 2 -8.869 -0.066 5.297 1.00 0.00 O ATOM 14 CB VAL T 2 -6.595 1.828 6.442 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.687 0.871 7.618 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.653 1.286 5.378 1.00 0.00 C ATOM 0 H VAL T 2 -8.791 1.720 7.747 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.967 3.043 5.304 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.190 2.773 6.805 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.690 0.694 8.022 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.320 1.305 8.392 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.117 -0.074 7.285 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.673 1.102 5.819 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.053 0.354 4.979 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.557 2.014 4.572 1.00 0.00 H new ATOM 26 N TYR T 3 -8.067 1.183 3.605 1.00 0.00 N ATOM 27 CA TYR T 3 -8.359 0.183 2.584 1.00 0.00 C ATOM 28 C TYR T 3 -7.323 0.230 1.466 1.00 0.00 C ATOM 29 O TYR T 3 -6.358 0.991 1.532 1.00 0.00 O ATOM 30 CB TYR T 3 -9.761 0.403 2.012 1.00 0.00 C ATOM 31 CG TYR T 3 -10.005 1.813 1.522 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.300 2.838 2.414 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.939 2.119 0.169 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.524 4.127 1.968 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.161 3.406 -0.284 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.453 4.406 0.620 1.00 0.00 C ATOM 37 OH TYR T 3 -10.675 5.689 0.173 1.00 0.00 O ATOM 0 H TYR T 3 -7.637 2.037 3.249 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.317 -0.802 3.050 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.920 -0.291 1.187 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.498 0.162 2.778 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.355 2.624 3.471 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.710 1.338 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.754 4.912 2.673 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.106 3.627 -1.340 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.586 5.715 -0.803 1.00 0.00 H new ATOM 47 N HIS T 4 -7.527 -0.594 0.443 1.00 0.00 N ATOM 48 CA HIS T 4 -6.607 -0.650 -0.687 1.00 0.00 C ATOM 49 C HIS T 4 -7.130 0.171 -1.862 1.00 0.00 C ATOM 50 O HIS T 4 -8.307 0.527 -1.911 1.00 0.00 O ATOM 51 CB HIS T 4 -6.389 -2.100 -1.122 1.00 0.00 C ATOM 52 CG HIS T 4 -5.338 -2.259 -2.175 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.621 -2.636 -3.471 1.00 0.00 N ATOM 54 CD2 HIS T 4 -3.996 -2.090 -2.120 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.499 -2.694 -4.166 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.499 -2.366 -3.370 1.00 0.00 N ATOM 0 H HIS T 4 -8.320 -1.231 0.374 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.656 -0.225 -0.367 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -6.111 -2.694 -0.251 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.330 -2.503 -1.496 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.552 -2.839 -3.836 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.423 -1.793 -1.254 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -4.415 -2.964 -5.208 1.00 0.00 H new ATOM 65 N ARG T 5 -6.243 0.465 -2.808 1.00 0.00 N ATOM 66 CA ARG T 5 -6.608 1.243 -3.986 1.00 0.00 C ATOM 67 C ARG T 5 -5.693 0.910 -5.161 1.00 0.00 C ATOM 68 O ARG T 5 -4.556 0.476 -4.972 1.00 0.00 O ATOM 69 CB ARG T 5 -6.535 2.738 -3.677 1.00 0.00 C ATOM 70 CG ARG T 5 -7.888 3.378 -3.413 1.00 0.00 C ATOM 71 CD ARG T 5 -8.493 3.945 -4.687 1.00 0.00 C ATOM 72 NE ARG T 5 -9.703 3.231 -5.084 1.00 0.00 N ATOM 73 CZ ARG T 5 -9.926 2.789 -6.319 1.00 0.00 C ATOM 74 NH1 ARG T 5 -9.025 2.990 -7.271 1.00 0.00 N ATOM 75 NH2 ARG T 5 -11.051 2.146 -6.601 1.00 0.00 N ATOM 0 H ARG T 5 -5.265 0.176 -2.781 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.631 0.985 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -5.897 2.889 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.059 3.249 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.565 2.638 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.778 4.173 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.727 4.999 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -7.760 3.891 -5.492 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.417 3.062 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -8.159 3.484 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -9.198 2.650 -8.217 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -11.746 1.990 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.221 1.807 -7.548 1.00 0.00 H new ATOM 89 N GLU T 6 -6.195 1.119 -6.374 1.00 0.00 N ATOM 90 CA GLU T 6 -5.421 0.844 -7.580 1.00 0.00 C ATOM 91 C GLU T 6 -5.285 2.100 -8.434 1.00 0.00 C ATOM 92 O GLU T 6 -5.897 3.129 -8.147 1.00 0.00 O ATOM 93 CB GLU T 6 -6.077 -0.276 -8.391 1.00 0.00 C ATOM 94 CG GLU T 6 -5.468 -0.477 -9.768 1.00 0.00 C ATOM 95 CD GLU T 6 -5.978 -1.730 -10.452 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.598 -2.839 -10.021 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.756 -1.602 -11.421 1.00 0.00 O ATOM 0 H GLU T 6 -7.134 1.478 -6.548 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.424 0.523 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -6.001 -1.208 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.139 -0.056 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.692 0.389 -10.390 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.383 -0.533 -9.677 1.00 0.00 H new ATOM 104 N ALA T 7 -4.478 2.006 -9.483 1.00 0.00 N ATOM 105 CA ALA T 7 -4.256 3.132 -10.383 1.00 0.00 C ATOM 106 C ALA T 7 -5.422 3.300 -11.351 1.00 0.00 C ATOM 107 O ALA T 7 -6.209 2.377 -11.558 1.00 0.00 O ATOM 108 CB ALA T 7 -2.956 2.947 -11.149 1.00 0.00 C ATOM 0 H ALA T 7 -3.965 1.160 -9.732 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.185 4.037 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -2.803 3.795 -11.817 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.125 2.885 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.006 2.029 -11.734 1.00 0.00 H new ATOM 114 N ARG T 8 -5.525 4.486 -11.943 1.00 0.00 N ATOM 115 CA ARG T 8 -6.593 4.777 -12.891 1.00 0.00 C ATOM 116 C ARG T 8 -6.478 3.888 -14.124 1.00 0.00 C ATOM 117 O ARG T 8 -7.447 3.702 -14.860 1.00 0.00 O ATOM 118 CB ARG T 8 -6.549 6.249 -13.303 1.00 0.00 C ATOM 119 CG ARG T 8 -7.740 7.057 -12.812 1.00 0.00 C ATOM 120 CD ARG T 8 -8.941 6.904 -13.732 1.00 0.00 C ATOM 121 NE ARG T 8 -9.724 5.713 -13.414 1.00 0.00 N ATOM 122 CZ ARG T 8 -10.838 5.736 -12.691 1.00 0.00 C ATOM 123 NH1 ARG T 8 -11.296 6.884 -12.211 1.00 0.00 N ATOM 124 NH2 ARG T 8 -11.496 4.610 -12.447 1.00 0.00 N ATOM 0 H ARG T 8 -4.881 5.261 -11.782 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.546 4.572 -12.404 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -5.633 6.698 -12.918 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -6.502 6.312 -14.390 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.009 6.735 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.464 8.109 -12.746 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.575 7.787 -13.651 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -8.601 6.849 -14.766 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.397 4.813 -13.767 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.793 7.752 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -12.152 6.900 -11.656 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -11.147 3.725 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -12.351 4.629 -11.892 1.00 0.00 H new ATOM 138 N SER T 9 -5.286 3.342 -14.343 1.00 0.00 N ATOM 139 CA SER T 9 -5.043 2.473 -15.488 1.00 0.00 C ATOM 140 C SER T 9 -5.018 1.010 -15.064 1.00 0.00 C ATOM 141 O SER T 9 -5.649 0.159 -15.691 1.00 0.00 O ATOM 142 CB SER T 9 -3.722 2.843 -16.165 1.00 0.00 C ATOM 143 OG SER T 9 -3.925 3.794 -17.195 1.00 0.00 O ATOM 0 H SER T 9 -4.474 3.486 -13.743 1.00 0.00 H new ATOM 0 HA SER T 9 -5.858 2.613 -16.198 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.031 3.246 -15.425 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.259 1.947 -16.579 1.00 0.00 H new ATOM 0 HG SER T 9 -3.065 4.015 -17.610 1.00 0.00 H new ATOM 149 N GLY T 10 -4.282 0.724 -13.998 1.00 0.00 N ATOM 150 CA GLY T 10 -4.183 -0.634 -13.510 1.00 0.00 C ATOM 151 C GLY T 10 -3.183 -0.773 -12.379 1.00 0.00 C ATOM 152 O GLY T 10 -2.458 0.170 -12.062 1.00 0.00 O ATOM 0 H GLY T 10 -3.751 1.411 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.163 -0.966 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -3.893 -1.291 -14.330 1.00 0.00 H new ATOM 156 N LYS T 11 -3.143 -1.955 -11.771 1.00 0.00 N ATOM 157 CA LYS T 11 -2.224 -2.221 -10.671 1.00 0.00 C ATOM 158 C LYS T 11 -0.776 -2.011 -11.106 1.00 0.00 C ATOM 159 O LYS T 11 -0.437 -2.200 -12.275 1.00 0.00 O ATOM 160 CB LYS T 11 -2.417 -3.650 -10.160 1.00 0.00 C ATOM 161 CG LYS T 11 -1.282 -4.136 -9.272 1.00 0.00 C ATOM 162 CD LYS T 11 -1.635 -5.443 -8.582 1.00 0.00 C ATOM 163 CE LYS T 11 -0.494 -6.443 -8.661 1.00 0.00 C ATOM 164 NZ LYS T 11 -0.920 -7.807 -8.244 1.00 0.00 N ATOM 0 H LYS T 11 -3.738 -2.745 -12.023 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.443 -1.520 -9.866 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.352 -3.705 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.514 -4.322 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.382 -4.272 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.055 -3.378 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.878 -5.249 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.526 -5.869 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.112 -6.478 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS T 11 0.326 -6.109 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.417 -8.517 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -0.696 -7.948 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -1.945 -7.910 -8.388 1.00 0.00 H new ATOM 178 N TYR T 12 0.069 -1.620 -10.159 1.00 0.00 N ATOM 179 CA TYR T 12 1.481 -1.384 -10.442 1.00 0.00 C ATOM 180 C TYR T 12 1.653 -0.262 -11.460 1.00 0.00 C ATOM 181 O TYR T 12 2.262 -0.451 -12.512 1.00 0.00 O ATOM 182 CB TYR T 12 2.144 -2.665 -10.951 1.00 0.00 C ATOM 183 CG TYR T 12 2.409 -3.684 -9.865 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.912 -3.504 -8.581 1.00 0.00 C ATOM 185 CD2 TYR T 12 3.158 -4.826 -10.125 1.00 0.00 C ATOM 186 CE1 TYR T 12 2.150 -4.432 -7.586 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.401 -5.759 -9.134 1.00 0.00 C ATOM 188 CZ TYR T 12 2.895 -5.557 -7.866 1.00 0.00 C ATOM 189 OH TYR T 12 3.136 -6.484 -6.879 1.00 0.00 O ATOM 0 H TYR T 12 -0.199 -1.459 -9.188 1.00 0.00 H new ATOM 0 HA TYR T 12 1.966 -1.081 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.507 -3.116 -11.712 1.00 0.00 H new ATOM 0 HB3 TYR T 12 3.087 -2.409 -11.435 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.329 -2.623 -8.356 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.556 -4.987 -11.116 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.754 -4.277 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.984 -6.642 -9.351 1.00 0.00 H new ATOM 0 HH TYR T 12 3.675 -7.217 -7.243 1.00 0.00 H new ATOM 199 N LYS T 13 1.116 0.908 -11.131 1.00 0.00 N ATOM 200 CA LYS T 13 1.207 2.069 -12.008 1.00 0.00 C ATOM 201 C LYS T 13 1.127 3.358 -11.198 1.00 0.00 C ATOM 202 O LYS T 13 1.150 4.457 -11.753 1.00 0.00 O ATOM 203 CB LYS T 13 0.088 2.039 -13.052 1.00 0.00 C ATOM 204 CG LYS T 13 0.375 1.116 -14.227 1.00 0.00 C ATOM 205 CD LYS T 13 -0.469 1.478 -15.439 1.00 0.00 C ATOM 206 CE LYS T 13 -1.179 0.261 -16.008 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.495 -0.266 -17.220 1.00 0.00 N ATOM 0 H LYS T 13 0.612 1.077 -10.261 1.00 0.00 H new ATOM 0 HA LYS T 13 2.168 2.035 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.838 1.724 -12.571 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.075 3.050 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.432 1.175 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.175 0.084 -13.938 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.205 2.232 -15.159 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.166 1.922 -16.206 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.225 -0.520 -15.249 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.207 0.524 -16.257 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.011 -1.096 -17.577 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -0.473 0.470 -17.954 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.478 -0.542 -16.977 1.00 0.00 H new ATOM 221 N LEU T 14 1.032 3.213 -9.880 1.00 0.00 N ATOM 222 CA LEU T 14 0.946 4.357 -8.985 1.00 0.00 C ATOM 223 C LEU T 14 2.268 4.588 -8.265 1.00 0.00 C ATOM 224 O LEU T 14 2.927 3.642 -7.832 1.00 0.00 O ATOM 225 CB LEU T 14 -0.167 4.138 -7.960 1.00 0.00 C ATOM 226 CG LEU T 14 -1.570 4.524 -8.429 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.622 3.807 -7.595 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.763 6.031 -8.357 1.00 0.00 C ATOM 0 H LEU T 14 1.013 2.309 -9.408 1.00 0.00 H new ATOM 0 HA LEU T 14 0.720 5.239 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.174 3.086 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.069 4.711 -7.063 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.685 4.216 -9.468 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.616 4.091 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.496 2.729 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.508 4.086 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.768 6.286 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.630 6.366 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.030 6.523 -8.996 1.00 0.00 H new ATOM 240 N THR T 15 2.642 5.853 -8.131 1.00 0.00 N ATOM 241 CA THR T 15 3.876 6.219 -7.451 1.00 0.00 C ATOM 242 C THR T 15 3.563 6.863 -6.109 1.00 0.00 C ATOM 243 O THR T 15 2.506 7.464 -5.941 1.00 0.00 O ATOM 244 CB THR T 15 4.718 7.194 -8.296 1.00 0.00 C ATOM 245 OG1 THR T 15 4.300 8.542 -8.050 1.00 0.00 O ATOM 246 CG2 THR T 15 4.585 6.879 -9.778 1.00 0.00 C ATOM 0 H THR T 15 2.106 6.645 -8.486 1.00 0.00 H new ATOM 0 HA THR T 15 4.451 5.306 -7.300 1.00 0.00 H new ATOM 0 HB THR T 15 5.763 7.080 -8.009 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.841 9.156 -8.589 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.188 7.580 -10.355 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.931 5.863 -9.966 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.540 6.968 -10.077 1.00 0.00 H new ATOM 254 N TYR T 16 4.474 6.732 -5.153 1.00 0.00 N ATOM 255 CA TYR T 16 4.263 7.307 -3.831 1.00 0.00 C ATOM 256 C TYR T 16 3.537 8.645 -3.932 1.00 0.00 C ATOM 257 O TYR T 16 2.637 8.935 -3.144 1.00 0.00 O ATOM 258 CB TYR T 16 5.594 7.495 -3.103 1.00 0.00 C ATOM 259 CG TYR T 16 5.462 8.255 -1.805 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.842 7.680 -0.701 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.953 9.548 -1.683 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.715 8.376 0.486 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.830 10.250 -0.499 1.00 0.00 C ATOM 264 CZ TYR T 16 5.211 9.660 0.582 1.00 0.00 C ATOM 265 OH TYR T 16 5.086 10.354 1.762 1.00 0.00 O ATOM 0 H TYR T 16 5.359 6.237 -5.266 1.00 0.00 H new ATOM 0 HA TYR T 16 3.645 6.613 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.031 6.517 -2.901 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.287 8.024 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.454 6.675 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.439 10.013 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.230 7.917 1.335 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.217 11.255 -0.421 1.00 0.00 H new ATOM 0 HH TYR T 16 5.488 11.242 1.663 1.00 0.00 H new ATOM 275 N ALA T 17 3.934 9.455 -4.908 1.00 0.00 N ATOM 276 CA ALA T 17 3.322 10.761 -5.113 1.00 0.00 C ATOM 277 C ALA T 17 1.929 10.631 -5.723 1.00 0.00 C ATOM 278 O ALA T 17 1.011 11.364 -5.352 1.00 0.00 O ATOM 279 CB ALA T 17 4.210 11.627 -5.993 1.00 0.00 C ATOM 0 H ALA T 17 4.677 9.229 -5.569 1.00 0.00 H new ATOM 0 HA ALA T 17 3.216 11.240 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.741 12.600 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.179 11.760 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.347 11.143 -6.960 1.00 0.00 H new ATOM 285 N GLU T 18 1.769 9.692 -6.653 1.00 0.00 N ATOM 286 CA GLU T 18 0.484 9.470 -7.296 1.00 0.00 C ATOM 287 C GLU T 18 -0.487 8.837 -6.311 1.00 0.00 C ATOM 288 O GLU T 18 -1.640 9.253 -6.196 1.00 0.00 O ATOM 289 CB GLU T 18 0.658 8.568 -8.517 1.00 0.00 C ATOM 290 CG GLU T 18 1.485 9.199 -9.625 1.00 0.00 C ATOM 291 CD GLU T 18 1.589 8.316 -10.852 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.631 7.078 -10.691 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.629 8.862 -11.975 1.00 0.00 O ATOM 0 H GLU T 18 2.515 9.075 -6.975 1.00 0.00 H new ATOM 0 HA GLU T 18 0.081 10.429 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.132 7.637 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.325 8.309 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU T 18 1.040 10.154 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.486 9.412 -9.250 1.00 0.00 H new ATOM 300 N ALA T 19 0.001 7.834 -5.593 1.00 0.00 N ATOM 301 CA ALA T 19 -0.797 7.136 -4.600 1.00 0.00 C ATOM 302 C ALA T 19 -1.302 8.108 -3.539 1.00 0.00 C ATOM 303 O ALA T 19 -2.473 8.084 -3.161 1.00 0.00 O ATOM 304 CB ALA T 19 0.029 6.034 -3.958 1.00 0.00 C ATOM 0 H ALA T 19 0.955 7.485 -5.683 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.661 6.691 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.574 5.514 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.350 5.327 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.904 6.469 -3.476 1.00 0.00 H new ATOM 310 N LYS T 20 -0.403 8.969 -3.070 1.00 0.00 N ATOM 311 CA LYS T 20 -0.741 9.959 -2.059 1.00 0.00 C ATOM 312 C LYS T 20 -1.686 11.008 -2.632 1.00 0.00 C ATOM 313 O LYS T 20 -2.466 11.622 -1.906 1.00 0.00 O ATOM 314 CB LYS T 20 0.529 10.633 -1.542 1.00 0.00 C ATOM 315 CG LYS T 20 0.373 11.259 -0.166 1.00 0.00 C ATOM 316 CD LYS T 20 1.658 11.927 0.294 1.00 0.00 C ATOM 317 CE LYS T 20 1.677 12.126 1.801 1.00 0.00 C ATOM 318 NZ LYS T 20 2.517 13.290 2.198 1.00 0.00 N ATOM 0 H LYS T 20 0.569 8.999 -3.378 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.241 9.453 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.332 9.897 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.834 11.404 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.432 11.994 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.084 10.492 0.552 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.512 11.319 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.765 12.892 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.659 12.274 2.160 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.056 11.224 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.503 13.391 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 3.495 13.138 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.140 14.155 1.761 1.00 0.00 H new ATOM 332 N ALA T 21 -1.607 11.208 -3.943 1.00 0.00 N ATOM 333 CA ALA T 21 -2.451 12.183 -4.620 1.00 0.00 C ATOM 334 C ALA T 21 -3.913 11.753 -4.602 1.00 0.00 C ATOM 335 O ALA T 21 -4.807 12.569 -4.388 1.00 0.00 O ATOM 336 CB ALA T 21 -1.979 12.389 -6.052 1.00 0.00 C ATOM 0 H ALA T 21 -0.966 10.707 -4.558 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.370 13.128 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.620 13.120 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.951 12.752 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.028 11.443 -6.591 1.00 0.00 H new ATOM 342 N VAL T 22 -4.146 10.466 -4.829 1.00 0.00 N ATOM 343 CA VAL T 22 -5.499 9.924 -4.840 1.00 0.00 C ATOM 344 C VAL T 22 -6.121 9.964 -3.451 1.00 0.00 C ATOM 345 O VAL T 22 -7.227 10.472 -3.269 1.00 0.00 O ATOM 346 CB VAL T 22 -5.519 8.474 -5.362 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.747 7.735 -4.853 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.465 8.452 -6.881 1.00 0.00 C ATOM 0 H VAL T 22 -3.415 9.778 -5.008 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.085 10.551 -5.512 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.635 7.961 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.741 6.714 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.735 7.716 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.647 8.245 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.480 7.420 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.327 8.984 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.549 8.936 -7.220 1.00 0.00 H new ATOM 358 N CYS T 23 -5.403 9.429 -2.474 1.00 0.00 N ATOM 359 CA CYS T 23 -5.884 9.407 -1.101 1.00 0.00 C ATOM 360 C CYS T 23 -6.033 10.826 -0.562 1.00 0.00 C ATOM 361 O CYS T 23 -7.061 11.175 0.019 1.00 0.00 O ATOM 362 CB CYS T 23 -4.927 8.605 -0.223 1.00 0.00 C ATOM 363 SG CYS T 23 -4.980 6.808 -0.520 1.00 0.00 S ATOM 0 H CYS T 23 -4.485 9.004 -2.607 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.863 8.929 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.911 8.961 -0.391 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.163 8.797 0.824 1.00 0.00 H new ATOM 368 N GLU T 24 -5.003 11.643 -0.766 1.00 0.00 N ATOM 369 CA GLU T 24 -5.025 13.027 -0.307 1.00 0.00 C ATOM 370 C GLU T 24 -5.947 13.871 -1.180 1.00 0.00 C ATOM 371 O GLU T 24 -6.299 14.995 -0.822 1.00 0.00 O ATOM 372 CB GLU T 24 -3.612 13.615 -0.318 1.00 0.00 C ATOM 373 CG GLU T 24 -3.388 14.685 0.739 1.00 0.00 C ATOM 374 CD GLU T 24 -1.976 14.672 1.291 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.101 15.337 0.697 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.745 13.999 2.316 1.00 0.00 O ATOM 0 H GLU T 24 -4.145 11.370 -1.245 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.406 13.040 0.714 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -2.892 12.811 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.413 14.041 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -3.597 15.665 0.309 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.095 14.538 1.556 1.00 0.00 H new ATOM 383 N PHE T 25 -6.334 13.319 -2.324 1.00 0.00 N ATOM 384 CA PHE T 25 -7.217 14.016 -3.252 1.00 0.00 C ATOM 385 C PHE T 25 -8.492 14.466 -2.549 1.00 0.00 C ATOM 386 O PHE T 25 -8.904 15.619 -2.662 1.00 0.00 O ATOM 387 CB PHE T 25 -7.567 13.109 -4.433 1.00 0.00 C ATOM 388 CG PHE T 25 -7.536 13.811 -5.760 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.329 14.152 -6.350 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.713 14.127 -6.418 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.297 14.796 -7.572 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.688 14.772 -7.641 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.478 15.107 -8.218 1.00 0.00 C ATOM 0 H PHE T 25 -6.050 12.389 -2.632 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.694 14.898 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.868 12.273 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.561 12.690 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.403 13.912 -5.849 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.661 13.867 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.350 15.056 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.613 15.013 -8.144 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.455 15.611 -9.173 1.00 0.00 H new ATOM 403 N GLU T 26 -9.108 13.543 -1.823 1.00 0.00 N ATOM 404 CA GLU T 26 -10.338 13.835 -1.097 1.00 0.00 C ATOM 405 C GLU T 26 -10.057 14.020 0.389 1.00 0.00 C ATOM 406 O GLU T 26 -10.708 13.409 1.239 1.00 0.00 O ATOM 407 CB GLU T 26 -11.352 12.714 -1.308 1.00 0.00 C ATOM 408 CG GLU T 26 -11.553 12.356 -2.769 1.00 0.00 C ATOM 409 CD GLU T 26 -12.647 11.327 -2.975 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.495 10.191 -2.477 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.657 11.656 -3.631 1.00 0.00 O ATOM 0 H GLU T 26 -8.776 12.584 -1.721 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.754 14.765 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.022 11.828 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.308 13.013 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.799 13.258 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.618 11.972 -3.177 1.00 0.00 H new ATOM 418 N GLY T 27 -9.085 14.872 0.691 1.00 0.00 N ATOM 419 CA GLY T 27 -8.726 15.136 2.071 1.00 0.00 C ATOM 420 C GLY T 27 -8.455 13.863 2.849 1.00 0.00 C ATOM 421 O GLY T 27 -8.836 13.747 4.013 1.00 0.00 O ATOM 0 H GLY T 27 -8.537 15.387 0.002 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -7.841 15.771 2.099 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -9.531 15.690 2.554 1.00 0.00 H new ATOM 425 N GLY T 28 -7.796 12.909 2.203 1.00 0.00 N ATOM 426 CA GLY T 28 -7.482 11.651 2.856 1.00 0.00 C ATOM 427 C GLY T 28 -5.986 11.426 2.951 1.00 0.00 C ATOM 428 O GLY T 28 -5.199 12.237 2.466 1.00 0.00 O ATOM 0 H GLY T 28 -7.473 12.983 1.238 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -7.915 11.642 3.856 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.939 10.830 2.303 1.00 0.00 H new ATOM 432 N HIS T 29 -5.592 10.324 3.582 1.00 0.00 N ATOM 433 CA HIS T 29 -4.186 9.999 3.742 1.00 0.00 C ATOM 434 C HIS T 29 -3.916 8.566 3.308 1.00 0.00 C ATOM 435 O HIS T 29 -4.723 7.672 3.556 1.00 0.00 O ATOM 436 CB HIS T 29 -3.771 10.185 5.199 1.00 0.00 C ATOM 437 CG HIS T 29 -4.925 10.367 6.136 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.972 11.232 5.887 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.193 9.792 7.331 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.831 11.180 6.888 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.382 10.313 7.777 1.00 0.00 N ATOM 0 H HIS T 29 -6.231 9.642 3.990 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.602 10.670 3.113 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.191 9.318 5.516 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.115 11.052 5.273 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.584 9.059 7.840 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.745 11.750 6.966 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -6.844 10.070 8.653 1.00 0.00 H new ATOM 450 N LEU T 30 -2.776 8.347 2.665 1.00 0.00 N ATOM 451 CA LEU T 30 -2.417 7.013 2.212 1.00 0.00 C ATOM 452 C LEU T 30 -1.932 6.172 3.384 1.00 0.00 C ATOM 453 O LEU T 30 -1.028 6.569 4.120 1.00 0.00 O ATOM 454 CB LEU T 30 -1.360 7.075 1.106 1.00 0.00 C ATOM 455 CG LEU T 30 0.005 6.478 1.457 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.127 5.068 0.906 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.126 7.360 0.924 1.00 0.00 C ATOM 0 H LEU T 30 -2.091 9.070 2.448 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.305 6.540 1.793 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.748 6.557 0.229 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.218 8.118 0.823 1.00 0.00 H new ATOM 0 HG LEU T 30 0.092 6.431 2.543 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.104 4.659 1.165 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.654 4.441 1.335 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.019 5.091 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.089 6.920 1.183 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.043 7.439 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU T 30 1.050 8.353 1.367 1.00 0.00 H new ATOM 469 N ALA T 31 -2.559 5.017 3.563 1.00 0.00 N ATOM 470 CA ALA T 31 -2.217 4.117 4.657 1.00 0.00 C ATOM 471 C ALA T 31 -0.711 3.896 4.750 1.00 0.00 C ATOM 472 O ALA T 31 0.008 4.025 3.759 1.00 0.00 O ATOM 473 CB ALA T 31 -2.939 2.790 4.493 1.00 0.00 C ATOM 0 H ALA T 31 -3.311 4.680 2.962 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.541 4.584 5.587 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.674 2.127 5.317 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -4.016 2.959 4.495 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.646 2.330 3.549 1.00 0.00 H new ATOM 479 N THR T 32 -0.242 3.563 5.948 1.00 0.00 N ATOM 480 CA THR T 32 1.177 3.323 6.177 1.00 0.00 C ATOM 481 C THR T 32 1.451 1.850 6.439 1.00 0.00 C ATOM 482 O THR T 32 0.624 0.988 6.142 1.00 0.00 O ATOM 483 CB THR T 32 1.701 4.134 7.375 1.00 0.00 C ATOM 484 OG1 THR T 32 1.213 3.567 8.600 1.00 0.00 O ATOM 485 CG2 THR T 32 1.270 5.589 7.275 1.00 0.00 C ATOM 0 H THR T 32 -0.826 3.453 6.777 1.00 0.00 H new ATOM 0 HA THR T 32 1.694 3.639 5.271 1.00 0.00 H new ATOM 0 HB THR T 32 2.790 4.095 7.365 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.674 3.982 9.359 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.653 6.142 8.133 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.667 6.024 6.357 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.182 5.646 7.263 1.00 0.00 H new ATOM 493 N TYR T 33 2.615 1.571 7.013 1.00 0.00 N ATOM 494 CA TYR T 33 3.002 0.204 7.337 1.00 0.00 C ATOM 495 C TYR T 33 2.280 -0.260 8.591 1.00 0.00 C ATOM 496 O TYR T 33 1.369 -1.086 8.533 1.00 0.00 O ATOM 497 CB TYR T 33 4.513 0.113 7.550 1.00 0.00 C ATOM 498 CG TYR T 33 4.969 -1.160 8.229 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.845 -2.393 7.599 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.523 -1.128 9.503 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.262 -3.555 8.219 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.942 -2.286 10.129 1.00 0.00 C ATOM 503 CZ TYR T 33 5.809 -3.497 9.484 1.00 0.00 C ATOM 504 OH TYR T 33 6.224 -4.652 10.104 1.00 0.00 O ATOM 0 H TYR T 33 3.309 2.275 7.264 1.00 0.00 H new ATOM 0 HA TYR T 33 2.724 -0.440 6.503 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.010 0.194 6.583 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.836 0.966 8.147 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.416 -2.443 6.609 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.628 -0.182 10.013 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.160 -4.505 7.715 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.372 -2.243 11.119 1.00 0.00 H new ATOM 0 HH TYR T 33 6.586 -4.436 10.989 1.00 0.00 H new ATOM 514 N LYS T 34 2.697 0.287 9.724 1.00 0.00 N ATOM 515 CA LYS T 34 2.099 -0.052 11.007 1.00 0.00 C ATOM 516 C LYS T 34 0.578 -0.022 10.918 1.00 0.00 C ATOM 517 O LYS T 34 -0.103 -0.864 11.506 1.00 0.00 O ATOM 518 CB LYS T 34 2.578 0.915 12.091 1.00 0.00 C ATOM 519 CG LYS T 34 4.081 0.895 12.323 1.00 0.00 C ATOM 520 CD LYS T 34 4.418 0.911 13.805 1.00 0.00 C ATOM 521 CE LYS T 34 5.914 0.781 14.039 1.00 0.00 C ATOM 522 NZ LYS T 34 6.352 -0.641 14.060 1.00 0.00 N ATOM 0 H LYS T 34 3.451 0.971 9.780 1.00 0.00 H new ATOM 0 HA LYS T 34 2.412 -1.062 11.271 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.277 1.927 11.819 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.074 0.673 13.027 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.509 0.005 11.861 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.537 1.757 11.836 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.059 1.839 14.251 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.898 0.094 14.306 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.452 1.315 13.255 1.00 0.00 H new ATOM 0 HE3 LYS T 34 6.176 1.255 14.985 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.378 -0.686 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.858 -1.145 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.126 -1.087 13.148 1.00 0.00 H new ATOM 536 N GLN T 35 0.048 0.945 10.175 1.00 0.00 N ATOM 537 CA GLN T 35 -1.392 1.070 10.008 1.00 0.00 C ATOM 538 C GLN T 35 -1.941 -0.119 9.234 1.00 0.00 C ATOM 539 O GLN T 35 -2.860 -0.800 9.689 1.00 0.00 O ATOM 540 CB GLN T 35 -1.725 2.373 9.284 1.00 0.00 C ATOM 541 CG GLN T 35 -1.373 3.619 10.081 1.00 0.00 C ATOM 542 CD GLN T 35 -1.706 4.900 9.340 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.989 4.882 8.142 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.670 6.021 10.051 1.00 0.00 N ATOM 0 H GLN T 35 0.594 1.651 9.681 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.858 1.086 10.993 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.192 2.397 8.333 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.790 2.389 9.053 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.910 3.603 11.030 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.309 3.606 10.317 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.430 5.989 11.042 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.882 6.914 9.606 1.00 0.00 H new ATOM 553 N LEU T 36 -1.361 -0.373 8.065 1.00 0.00 N ATOM 554 CA LEU T 36 -1.788 -1.492 7.239 1.00 0.00 C ATOM 555 C LEU T 36 -1.688 -2.789 8.031 1.00 0.00 C ATOM 556 O LEU T 36 -2.381 -3.764 7.742 1.00 0.00 O ATOM 557 CB LEU T 36 -0.937 -1.582 5.970 1.00 0.00 C ATOM 558 CG LEU T 36 -1.723 -1.623 4.659 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.394 -2.977 4.481 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.755 -0.506 4.620 1.00 0.00 C ATOM 0 H LEU T 36 -0.598 0.179 7.672 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.826 -1.332 6.946 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.262 -0.727 5.943 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.316 -2.476 6.031 1.00 0.00 H new ATOM 0 HG LEU T 36 -1.025 -1.475 3.835 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.949 -2.988 3.543 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.635 -3.759 4.463 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -3.079 -3.155 5.310 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.305 -0.551 3.680 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.449 -0.623 5.452 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.252 0.457 4.700 1.00 0.00 H new ATOM 572 N GLU T 37 -0.827 -2.780 9.043 1.00 0.00 N ATOM 573 CA GLU T 37 -0.638 -3.943 9.898 1.00 0.00 C ATOM 574 C GLU T 37 -1.882 -4.186 10.736 1.00 0.00 C ATOM 575 O GLU T 37 -2.530 -5.226 10.626 1.00 0.00 O ATOM 576 CB GLU T 37 0.569 -3.739 10.812 1.00 0.00 C ATOM 577 CG GLU T 37 0.930 -4.974 11.616 1.00 0.00 C ATOM 578 CD GLU T 37 1.860 -5.910 10.868 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.766 -5.412 10.168 1.00 0.00 O ATOM 580 OE2 GLU T 37 1.683 -7.142 10.984 1.00 0.00 O ATOM 0 H GLU T 37 -0.248 -1.977 9.290 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.460 -4.812 9.265 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.427 -3.444 10.208 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.362 -2.916 11.496 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.403 -4.669 12.550 1.00 0.00 H new ATOM 0 HG3 GLU T 37 0.018 -5.510 11.880 1.00 0.00 H new ATOM 587 N ALA T 38 -2.211 -3.209 11.571 1.00 0.00 N ATOM 588 CA ALA T 38 -3.380 -3.299 12.430 1.00 0.00 C ATOM 589 C ALA T 38 -4.642 -3.516 11.605 1.00 0.00 C ATOM 590 O ALA T 38 -5.680 -3.920 12.131 1.00 0.00 O ATOM 591 CB ALA T 38 -3.509 -2.046 13.285 1.00 0.00 C ATOM 0 H ALA T 38 -1.681 -2.343 11.670 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.254 -4.157 13.090 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.389 -2.129 13.922 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.620 -1.936 13.906 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.610 -1.174 12.639 1.00 0.00 H new ATOM 597 N ALA T 39 -4.538 -3.257 10.307 1.00 0.00 N ATOM 598 CA ALA T 39 -5.662 -3.438 9.397 1.00 0.00 C ATOM 599 C ALA T 39 -5.599 -4.820 8.776 1.00 0.00 C ATOM 600 O ALA T 39 -6.617 -5.419 8.439 1.00 0.00 O ATOM 601 CB ALA T 39 -5.646 -2.368 8.317 1.00 0.00 C ATOM 0 H ALA T 39 -3.685 -2.920 9.861 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.592 -3.344 9.957 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.491 -2.516 7.645 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.718 -1.383 8.779 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.717 -2.436 7.751 1.00 0.00 H new ATOM 607 N ARG T 40 -4.381 -5.319 8.642 1.00 0.00 N ATOM 608 CA ARG T 40 -4.141 -6.635 8.081 1.00 0.00 C ATOM 609 C ARG T 40 -4.561 -7.709 9.070 1.00 0.00 C ATOM 610 O ARG T 40 -5.019 -8.785 8.686 1.00 0.00 O ATOM 611 CB ARG T 40 -2.658 -6.781 7.757 1.00 0.00 C ATOM 612 CG ARG T 40 -2.240 -8.207 7.436 1.00 0.00 C ATOM 613 CD ARG T 40 -0.927 -8.572 8.109 1.00 0.00 C ATOM 614 NE ARG T 40 -1.115 -9.511 9.210 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.119 -10.181 9.784 1.00 0.00 C ATOM 616 NH1 ARG T 40 1.127 -10.013 9.363 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.369 -11.020 10.780 1.00 0.00 N ATOM 0 H ARG T 40 -3.534 -4.823 8.919 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.727 -6.750 7.169 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.416 -6.141 6.908 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.073 -6.422 8.604 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.019 -8.897 7.760 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.141 -8.323 6.357 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.252 -9.008 7.373 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.448 -7.667 8.483 1.00 0.00 H new ATOM 0 HE ARG T 40 -2.062 -9.662 9.559 1.00 0.00 H new ATOM 0 HH11 ARG T 40 1.324 -9.369 8.597 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.888 -10.528 9.805 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -1.326 -11.153 11.107 1.00 0.00 H new ATOM 0 HH22 ARG T 40 0.396 -11.533 11.219 1.00 0.00 H new ATOM 631 N LYS T 41 -4.393 -7.405 10.352 1.00 0.00 N ATOM 632 CA LYS T 41 -4.743 -8.339 11.410 1.00 0.00 C ATOM 633 C LYS T 41 -6.254 -8.518 11.513 1.00 0.00 C ATOM 634 O LYS T 41 -6.732 -9.488 12.103 1.00 0.00 O ATOM 635 CB LYS T 41 -4.181 -7.859 12.748 1.00 0.00 C ATOM 636 CG LYS T 41 -2.713 -7.475 12.683 1.00 0.00 C ATOM 637 CD LYS T 41 -2.019 -7.693 14.019 1.00 0.00 C ATOM 638 CE LYS T 41 -0.558 -8.072 13.832 1.00 0.00 C ATOM 639 NZ LYS T 41 0.097 -8.409 15.126 1.00 0.00 N ATOM 0 H LYS T 41 -4.016 -6.517 10.682 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.303 -9.305 11.162 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.759 -7.000 13.089 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.311 -8.646 13.491 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.216 -8.065 11.913 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.622 -6.429 12.391 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.087 -6.785 14.618 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.532 -8.479 14.573 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.487 -8.924 13.156 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.026 -7.246 13.360 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 1.091 -8.662 14.956 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 0.052 -7.587 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.395 -9.214 15.565 1.00 0.00 H new ATOM 653 N ILE T 42 -7.004 -7.584 10.938 1.00 0.00 N ATOM 654 CA ILE T 42 -8.456 -7.651 10.970 1.00 0.00 C ATOM 655 C ILE T 42 -8.987 -8.452 9.788 1.00 0.00 C ATOM 656 O ILE T 42 -10.152 -8.852 9.766 1.00 0.00 O ATOM 657 CB ILE T 42 -9.075 -6.243 10.944 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.009 -5.668 9.531 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.355 -5.333 11.928 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.307 -5.049 9.065 1.00 0.00 C ATOM 0 H ILE T 42 -6.629 -6.774 10.445 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.738 -8.147 11.898 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.121 -6.311 11.242 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.223 -4.914 9.491 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.726 -6.461 8.839 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.803 -4.340 11.900 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.444 -5.743 12.934 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.302 -5.264 11.656 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.183 -4.662 8.053 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.093 -5.804 9.071 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.582 -4.234 9.734 1.00 0.00 H new ATOM 672 N GLY T 43 -8.121 -8.684 8.807 1.00 0.00 N ATOM 673 CA GLY T 43 -8.513 -9.437 7.632 1.00 0.00 C ATOM 674 C GLY T 43 -8.134 -8.726 6.348 1.00 0.00 C ATOM 675 O GLY T 43 -8.570 -9.118 5.264 1.00 0.00 O ATOM 0 H GLY T 43 -7.153 -8.363 8.806 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.039 -10.418 7.656 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.590 -9.602 7.650 1.00 0.00 H new ATOM 679 N PHE T 44 -7.320 -7.681 6.464 1.00 0.00 N ATOM 680 CA PHE T 44 -6.886 -6.921 5.297 1.00 0.00 C ATOM 681 C PHE T 44 -5.724 -7.617 4.597 1.00 0.00 C ATOM 682 O PHE T 44 -4.658 -7.808 5.182 1.00 0.00 O ATOM 683 CB PHE T 44 -6.480 -5.504 5.704 1.00 0.00 C ATOM 684 CG PHE T 44 -6.493 -4.517 4.571 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.944 -4.888 3.313 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.054 -3.216 4.763 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.958 -3.981 2.271 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.066 -2.305 3.723 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.519 -2.688 2.476 1.00 0.00 C ATOM 0 H PHE T 44 -6.949 -7.342 7.352 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.723 -6.863 4.601 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.154 -5.154 6.485 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.480 -5.533 6.136 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.288 -5.898 3.146 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.699 -2.911 5.736 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.312 -4.283 1.296 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.721 -1.295 3.886 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.530 -1.978 1.663 1.00 0.00 H new ATOM 699 N HIS T 45 -5.939 -7.997 3.342 1.00 0.00 N ATOM 700 CA HIS T 45 -4.912 -8.676 2.560 1.00 0.00 C ATOM 701 C HIS T 45 -4.929 -8.200 1.111 1.00 0.00 C ATOM 702 O HIS T 45 -5.969 -8.224 0.452 1.00 0.00 O ATOM 703 CB HIS T 45 -5.126 -10.192 2.614 1.00 0.00 C ATOM 704 CG HIS T 45 -4.118 -10.984 1.838 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.352 -10.649 0.773 1.00 0.00 N flip ATOM 706 CD2 HIS T 45 -3.811 -12.297 2.129 1.00 0.00 C flip ATOM 707 CE1 HIS T 45 -2.604 -11.752 0.446 1.00 0.00 C flip ATOM 708 NE2 HIS T 45 -2.898 -12.733 1.279 1.00 0.00 N flip ATOM 0 H HIS T 45 -6.816 -7.846 2.844 1.00 0.00 H new ATOM 0 HA HIS T 45 -3.940 -8.435 2.990 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.101 -10.514 3.655 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.122 -10.421 2.234 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.249 -12.878 2.927 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -1.890 -11.808 -0.362 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.490 -13.668 1.268 1.00 0.00 H new ATOM 717 N VAL T 46 -3.769 -7.775 0.617 1.00 0.00 N ATOM 718 CA VAL T 46 -3.655 -7.303 -0.757 1.00 0.00 C ATOM 719 C VAL T 46 -2.300 -7.667 -1.357 1.00 0.00 C ATOM 720 O VAL T 46 -1.292 -7.021 -1.073 1.00 0.00 O ATOM 721 CB VAL T 46 -3.852 -5.776 -0.861 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.756 -5.438 -2.036 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.422 -5.207 0.431 1.00 0.00 C ATOM 0 H VAL T 46 -2.898 -7.748 1.147 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.447 -7.799 -1.317 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.876 -5.320 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.886 -4.357 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.304 -5.801 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.727 -5.913 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.550 -4.129 0.329 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.387 -5.669 0.637 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.737 -5.414 1.253 1.00 0.00 H new ATOM 733 N CYS T 47 -2.287 -8.703 -2.192 1.00 0.00 N ATOM 734 CA CYS T 47 -1.057 -9.151 -2.836 1.00 0.00 C ATOM 735 C CYS T 47 -0.629 -8.170 -3.922 1.00 0.00 C ATOM 736 O CYS T 47 -0.877 -8.393 -5.108 1.00 0.00 O ATOM 737 CB CYS T 47 -1.250 -10.544 -3.439 1.00 0.00 C ATOM 738 SG CYS T 47 0.089 -11.716 -3.044 1.00 0.00 S ATOM 0 H CYS T 47 -3.114 -9.247 -2.438 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.274 -9.197 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.195 -10.955 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.330 -10.452 -4.522 1.00 0.00 H new ATOM 743 N ALA T 48 0.011 -7.082 -3.507 1.00 0.00 N ATOM 744 CA ALA T 48 0.473 -6.059 -4.439 1.00 0.00 C ATOM 745 C ALA T 48 1.140 -4.910 -3.695 1.00 0.00 C ATOM 746 O ALA T 48 0.539 -4.297 -2.813 1.00 0.00 O ATOM 747 CB ALA T 48 -0.690 -5.547 -5.274 1.00 0.00 C ATOM 0 H ALA T 48 0.222 -6.885 -2.529 1.00 0.00 H new ATOM 0 HA ALA T 48 1.212 -6.507 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.333 -4.784 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.125 -6.373 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.447 -5.117 -4.618 1.00 0.00 H new ATOM 753 N ALA T 49 2.387 -4.622 -4.055 1.00 0.00 N ATOM 754 CA ALA T 49 3.138 -3.546 -3.421 1.00 0.00 C ATOM 755 C ALA T 49 2.262 -2.317 -3.205 1.00 0.00 C ATOM 756 O ALA T 49 1.852 -1.660 -4.160 1.00 0.00 O ATOM 757 CB ALA T 49 4.356 -3.187 -4.259 1.00 0.00 C ATOM 0 H ALA T 49 2.899 -5.120 -4.784 1.00 0.00 H new ATOM 0 HA ALA T 49 3.473 -3.897 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.907 -2.382 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.001 -4.061 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.034 -2.861 -5.248 1.00 0.00 H new ATOM 763 N GLY T 50 1.978 -2.015 -1.943 1.00 0.00 N ATOM 764 CA GLY T 50 1.151 -0.867 -1.626 1.00 0.00 C ATOM 765 C GLY T 50 1.927 0.241 -0.943 1.00 0.00 C ATOM 766 O GLY T 50 2.419 0.067 0.171 1.00 0.00 O ATOM 0 H GLY T 50 2.306 -2.544 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.705 -0.481 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.331 -1.182 -0.981 1.00 0.00 H new ATOM 770 N TRP T 51 2.040 1.380 -1.616 1.00 0.00 N ATOM 771 CA TRP T 51 2.765 2.522 -1.074 1.00 0.00 C ATOM 772 C TRP T 51 2.335 2.827 0.354 1.00 0.00 C ATOM 773 O TRP T 51 1.235 2.468 0.775 1.00 0.00 O ATOM 774 CB TRP T 51 2.552 3.748 -1.958 1.00 0.00 C ATOM 775 CG TRP T 51 3.431 3.752 -3.167 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.054 3.519 -4.456 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.841 3.988 -3.192 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.149 3.596 -5.286 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.258 3.884 -4.532 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.790 4.278 -2.209 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.586 4.061 -4.911 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.107 4.454 -2.585 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.495 4.345 -3.927 1.00 0.00 C ATOM 0 H TRP T 51 1.638 1.537 -2.540 1.00 0.00 H new ATOM 0 HA TRP T 51 3.825 2.269 -1.059 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.509 3.786 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.742 4.648 -1.374 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.046 3.306 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.138 3.461 -6.297 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.499 4.363 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.888 3.977 -5.944 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.849 4.679 -1.833 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.532 4.488 -4.191 1.00 0.00 H new ATOM 794 N MET T 52 3.215 3.494 1.096 1.00 0.00 N ATOM 795 CA MET T 52 2.938 3.855 2.481 1.00 0.00 C ATOM 796 C MET T 52 4.088 4.662 3.073 1.00 0.00 C ATOM 797 O MET T 52 5.101 4.897 2.415 1.00 0.00 O ATOM 798 CB MET T 52 2.700 2.603 3.327 1.00 0.00 C ATOM 799 CG MET T 52 3.366 1.350 2.778 1.00 0.00 C ATOM 800 SD MET T 52 3.333 -0.025 3.944 1.00 0.00 S ATOM 801 CE MET T 52 2.420 -1.245 3.003 1.00 0.00 C ATOM 0 H MET T 52 4.129 3.796 0.758 1.00 0.00 H new ATOM 0 HA MET T 52 2.037 4.468 2.491 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.067 2.784 4.337 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.627 2.428 3.404 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.866 1.052 1.857 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.400 1.577 2.520 1.00 0.00 H new ATOM 0 HE1 MET T 52 1.879 -1.901 3.685 1.00 0.00 H new ATOM 0 HE2 MET T 52 1.711 -0.742 2.345 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.113 -1.836 2.405 1.00 0.00 H new ATOM 811 N ALA T 53 3.924 5.074 4.325 1.00 0.00 N ATOM 812 CA ALA T 53 4.945 5.846 5.022 1.00 0.00 C ATOM 813 C ALA T 53 5.408 7.042 4.200 1.00 0.00 C ATOM 814 O ALA T 53 4.764 7.429 3.224 1.00 0.00 O ATOM 815 CB ALA T 53 6.124 4.953 5.369 1.00 0.00 C ATOM 0 H ALA T 53 3.089 4.885 4.880 1.00 0.00 H new ATOM 0 HA ALA T 53 4.503 6.233 5.940 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.882 5.538 5.890 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.788 4.140 6.012 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.549 4.540 4.454 1.00 0.00 H new ATOM 821 N LYS T 54 6.527 7.626 4.611 1.00 0.00 N ATOM 822 CA LYS T 54 7.090 8.787 3.930 1.00 0.00 C ATOM 823 C LYS T 54 7.506 8.450 2.502 1.00 0.00 C ATOM 824 O LYS T 54 7.875 9.337 1.731 1.00 0.00 O ATOM 825 CB LYS T 54 8.295 9.318 4.708 1.00 0.00 C ATOM 826 CG LYS T 54 8.128 10.748 5.197 1.00 0.00 C ATOM 827 CD LYS T 54 8.837 11.742 4.291 1.00 0.00 C ATOM 828 CE LYS T 54 8.168 13.105 4.332 1.00 0.00 C ATOM 829 NZ LYS T 54 9.162 14.214 4.380 1.00 0.00 N ATOM 0 H LYS T 54 7.066 7.312 5.418 1.00 0.00 H new ATOM 0 HA LYS T 54 6.317 9.554 3.885 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.477 8.670 5.565 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.179 9.262 4.073 1.00 0.00 H new ATOM 0 HG2 LYS T 54 7.067 10.994 5.246 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.522 10.834 6.210 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.879 11.837 4.598 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.839 11.367 3.268 1.00 0.00 H new ATOM 0 HE2 LYS T 54 7.534 13.224 3.453 1.00 0.00 H new ATOM 0 HE3 LYS T 54 7.517 13.163 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 8.663 15.126 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 9.751 14.116 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.767 14.175 3.535 1.00 0.00 H new ATOM 843 N GLY T 55 7.449 7.169 2.149 1.00 0.00 N ATOM 844 CA GLY T 55 7.826 6.757 0.812 1.00 0.00 C ATOM 845 C GLY T 55 8.194 5.288 0.757 1.00 0.00 C ATOM 846 O GLY T 55 8.859 4.844 -0.179 1.00 0.00 O ATOM 0 H GLY T 55 7.149 6.412 2.764 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.001 6.951 0.126 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.671 7.356 0.472 1.00 0.00 H new ATOM 850 N ARG T 56 7.761 4.529 1.757 1.00 0.00 N ATOM 851 CA ARG T 56 8.050 3.103 1.808 1.00 0.00 C ATOM 852 C ARG T 56 6.875 2.295 1.271 1.00 0.00 C ATOM 853 O ARG T 56 5.721 2.570 1.594 1.00 0.00 O ATOM 854 CB ARG T 56 8.376 2.675 3.242 1.00 0.00 C ATOM 855 CG ARG T 56 7.188 2.100 3.995 1.00 0.00 C ATOM 856 CD ARG T 56 7.629 1.396 5.267 1.00 0.00 C ATOM 857 NE ARG T 56 7.903 2.338 6.349 1.00 0.00 N ATOM 858 CZ ARG T 56 9.025 2.336 7.061 1.00 0.00 C ATOM 859 NH1 ARG T 56 9.973 1.444 6.805 1.00 0.00 N ATOM 860 NH2 ARG T 56 9.200 3.225 8.029 1.00 0.00 N ATOM 0 H ARG T 56 7.210 4.877 2.541 1.00 0.00 H new ATOM 0 HA ARG T 56 8.918 2.908 1.178 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.173 1.932 3.217 1.00 0.00 H new ATOM 0 HB3 ARG T 56 8.760 3.536 3.790 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.490 2.900 4.243 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.654 1.398 3.355 1.00 0.00 H new ATOM 0 HD2 ARG T 56 6.853 0.698 5.582 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.524 0.808 5.064 1.00 0.00 H new ATOM 0 HE ARG T 56 7.193 3.036 6.571 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.841 0.759 6.061 1.00 0.00 H new ATOM 0 HH12 ARG T 56 10.834 1.443 7.352 1.00 0.00 H new ATOM 0 HH21 ARG T 56 8.473 3.912 8.228 1.00 0.00 H new ATOM 0 HH22 ARG T 56 10.062 3.222 8.575 1.00 0.00 H new ATOM 874 N VAL T 57 7.176 1.300 0.443 1.00 0.00 N ATOM 875 CA VAL T 57 6.142 0.456 -0.141 1.00 0.00 C ATOM 876 C VAL T 57 6.432 -1.019 0.117 1.00 0.00 C ATOM 877 O VAL T 57 7.487 -1.530 -0.258 1.00 0.00 O ATOM 878 CB VAL T 57 6.014 0.695 -1.660 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.336 1.169 -2.239 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.530 -0.561 -2.371 1.00 0.00 C ATOM 0 H VAL T 57 8.127 1.059 0.162 1.00 0.00 H new ATOM 0 HA VAL T 57 5.200 0.725 0.337 1.00 0.00 H new ATOM 0 HB VAL T 57 5.271 1.476 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.226 1.332 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.630 2.102 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.102 0.413 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.448 -0.365 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.240 -1.371 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.554 -0.848 -1.979 1.00 0.00 H new ATOM 890 N GLY T 58 5.487 -1.698 0.759 1.00 0.00 N ATOM 891 CA GLY T 58 5.658 -3.107 1.057 1.00 0.00 C ATOM 892 C GLY T 58 4.533 -3.952 0.495 1.00 0.00 C ATOM 893 O GLY T 58 3.708 -3.465 -0.276 1.00 0.00 O ATOM 0 H GLY T 58 4.605 -1.297 1.078 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.608 -3.451 0.647 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.709 -3.245 2.137 1.00 0.00 H new ATOM 897 N TYR T 59 4.501 -5.224 0.879 1.00 0.00 N ATOM 898 CA TYR T 59 3.467 -6.135 0.403 1.00 0.00 C ATOM 899 C TYR T 59 2.736 -6.790 1.572 1.00 0.00 C ATOM 900 O TYR T 59 3.054 -7.913 1.966 1.00 0.00 O ATOM 901 CB TYR T 59 4.075 -7.211 -0.501 1.00 0.00 C ATOM 902 CG TYR T 59 5.365 -6.781 -1.163 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.423 -5.629 -1.939 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.526 -7.527 -1.012 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.601 -5.235 -2.545 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.708 -7.140 -1.614 1.00 0.00 C ATOM 907 CZ TYR T 59 7.740 -5.994 -2.379 1.00 0.00 C ATOM 908 OH TYR T 59 8.914 -5.604 -2.981 1.00 0.00 O ATOM 0 H TYR T 59 5.177 -5.646 1.516 1.00 0.00 H new ATOM 0 HA TYR T 59 2.747 -5.553 -0.173 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.260 -8.109 0.089 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.352 -7.479 -1.271 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.533 -5.032 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.505 -8.426 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.629 -4.338 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.602 -7.732 -1.486 1.00 0.00 H new ATOM 0 HH TYR T 59 9.667 -5.792 -2.383 1.00 0.00 H new ATOM 918 N PRO T 60 1.742 -6.091 2.141 1.00 0.00 N ATOM 919 CA PRO T 60 0.956 -6.603 3.270 1.00 0.00 C ATOM 920 C PRO T 60 0.222 -7.893 2.921 1.00 0.00 C ATOM 921 O PRO T 60 -0.783 -7.874 2.211 1.00 0.00 O ATOM 922 CB PRO T 60 -0.049 -5.482 3.559 1.00 0.00 C ATOM 923 CG PRO T 60 0.506 -4.265 2.902 1.00 0.00 C ATOM 924 CD PRO T 60 1.306 -4.747 1.726 1.00 0.00 C ATOM 0 HA PRO T 60 1.589 -6.849 4.122 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -1.034 -5.727 3.162 1.00 0.00 H new ATOM 0 HB3 PRO T 60 -0.167 -5.329 4.632 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.294 -3.598 2.581 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.132 -3.702 3.593 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.705 -4.782 0.818 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.155 -4.094 1.522 1.00 0.00 H new ATOM 932 N ILE T 61 0.730 -9.012 3.425 1.00 0.00 N ATOM 933 CA ILE T 61 0.124 -10.312 3.164 1.00 0.00 C ATOM 934 C ILE T 61 -0.068 -11.096 4.458 1.00 0.00 C ATOM 935 O ILE T 61 0.902 -11.513 5.091 1.00 0.00 O ATOM 936 CB ILE T 61 0.982 -11.147 2.195 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.312 -10.337 0.941 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.267 -12.437 1.828 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.098 -9.996 0.104 1.00 0.00 C ATOM 0 H ILE T 61 1.560 -9.045 4.017 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.847 -10.123 2.707 1.00 0.00 H new ATOM 0 HB ILE T 61 1.917 -11.404 2.693 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.811 -9.414 1.236 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.018 -10.900 0.330 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.887 -13.015 1.143 1.00 0.00 H new ATOM 0 HG22 ILE T 61 0.083 -13.020 2.730 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.683 -12.203 1.347 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.408 -9.421 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.390 -10.915 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.600 -9.406 0.698 1.00 0.00 H new ATOM 951 N VAL T 62 -1.324 -11.298 4.844 1.00 0.00 N ATOM 952 CA VAL T 62 -1.638 -12.036 6.063 1.00 0.00 C ATOM 953 C VAL T 62 -1.311 -13.516 5.902 1.00 0.00 C ATOM 954 O VAL T 62 -1.211 -14.252 6.883 1.00 0.00 O ATOM 955 CB VAL T 62 -3.122 -11.890 6.451 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.265 -11.728 7.956 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.759 -10.718 5.718 1.00 0.00 C ATOM 0 H VAL T 62 -2.139 -10.962 4.332 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.024 -11.610 6.856 1.00 0.00 H new ATOM 0 HB VAL T 62 -3.646 -12.798 6.153 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.320 -11.626 8.212 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.853 -12.604 8.457 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.725 -10.838 8.279 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.807 -10.634 6.007 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.236 -9.798 5.979 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.692 -10.882 4.642 1.00 0.00 H new ATOM 967 N LYS T 63 -1.146 -13.945 4.655 1.00 0.00 N ATOM 968 CA LYS T 63 -0.830 -15.337 4.359 1.00 0.00 C ATOM 969 C LYS T 63 0.639 -15.492 3.976 1.00 0.00 C ATOM 970 O LYS T 63 1.314 -14.512 3.662 1.00 0.00 O ATOM 971 CB LYS T 63 -1.722 -15.850 3.227 1.00 0.00 C ATOM 972 CG LYS T 63 -3.018 -16.482 3.705 1.00 0.00 C ATOM 973 CD LYS T 63 -3.030 -17.981 3.457 1.00 0.00 C ATOM 974 CE LYS T 63 -4.296 -18.632 3.989 1.00 0.00 C ATOM 975 NZ LYS T 63 -4.021 -19.547 5.130 1.00 0.00 N ATOM 0 H LYS T 63 -1.226 -13.347 3.832 1.00 0.00 H new ATOM 0 HA LYS T 63 -1.015 -15.927 5.257 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -1.958 -15.022 2.559 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -1.166 -16.583 2.642 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -3.148 -16.287 4.769 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -3.861 -16.020 3.191 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -2.945 -18.173 2.387 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -2.161 -18.435 3.933 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -4.995 -17.858 4.307 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -4.780 -19.189 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -4.913 -19.968 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -3.375 -20.302 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -3.583 -19.012 5.906 1.00 0.00 H new ATOM 989 N PRO T 64 1.154 -16.732 3.997 1.00 0.00 N ATOM 990 CA PRO T 64 2.552 -17.013 3.648 1.00 0.00 C ATOM 991 C PRO T 64 2.928 -16.471 2.273 1.00 0.00 C ATOM 992 O PRO T 64 4.097 -16.481 1.889 1.00 0.00 O ATOM 993 CB PRO T 64 2.625 -18.542 3.656 1.00 0.00 C ATOM 994 CG PRO T 64 1.494 -18.986 4.515 1.00 0.00 C ATOM 995 CD PRO T 64 0.413 -17.954 4.364 1.00 0.00 C ATOM 0 HA PRO T 64 3.245 -16.537 4.342 1.00 0.00 H new ATOM 0 HB2 PRO T 64 2.534 -18.945 2.647 1.00 0.00 H new ATOM 0 HB3 PRO T 64 3.579 -18.888 4.053 1.00 0.00 H new ATOM 0 HG2 PRO T 64 1.137 -19.969 4.209 1.00 0.00 H new ATOM 0 HG3 PRO T 64 1.807 -19.070 5.556 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.305 -18.235 3.594 1.00 0.00 H new ATOM 0 HD3 PRO T 64 -0.147 -17.821 5.289 1.00 0.00 H new ATOM 1003 N GLY T 65 1.929 -15.996 1.535 1.00 0.00 N ATOM 1004 CA GLY T 65 2.178 -15.454 0.211 1.00 0.00 C ATOM 1005 C GLY T 65 2.327 -16.539 -0.839 1.00 0.00 C ATOM 1006 O GLY T 65 3.003 -17.542 -0.605 1.00 0.00 O ATOM 0 H GLY T 65 0.953 -15.977 1.830 1.00 0.00 H new ATOM 0 HA2 GLY T 65 1.358 -14.792 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY T 65 3.083 -14.847 0.234 1.00 0.00 H new ATOM 1010 N PRO T 66 1.701 -16.366 -2.013 1.00 0.00 N ATOM 1011 CA PRO T 66 1.767 -17.332 -3.097 1.00 0.00 C ATOM 1012 C PRO T 66 2.901 -17.033 -4.066 1.00 0.00 C ATOM 1013 O PRO T 66 3.870 -17.786 -4.164 1.00 0.00 O ATOM 1014 CB PRO T 66 0.419 -17.132 -3.779 1.00 0.00 C ATOM 1015 CG PRO T 66 0.106 -15.679 -3.600 1.00 0.00 C ATOM 1016 CD PRO T 66 0.872 -15.206 -2.382 1.00 0.00 C ATOM 0 HA PRO T 66 1.956 -18.348 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO T 66 0.468 -17.398 -4.835 1.00 0.00 H new ATOM 0 HB3 PRO T 66 -0.349 -17.760 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO T 66 0.397 -15.110 -4.483 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -0.965 -15.529 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO T 66 1.484 -14.333 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO T 66 0.200 -14.922 -1.573 1.00 0.00 H new ATOM 1024 N ASN T 67 2.765 -15.924 -4.781 1.00 0.00 N ATOM 1025 CA ASN T 67 3.768 -15.508 -5.752 1.00 0.00 C ATOM 1026 C ASN T 67 4.298 -14.115 -5.424 1.00 0.00 C ATOM 1027 O ASN T 67 5.399 -13.747 -5.832 1.00 0.00 O ATOM 1028 CB ASN T 67 3.173 -15.523 -7.160 1.00 0.00 C ATOM 1029 CG ASN T 67 1.659 -15.451 -7.152 1.00 0.00 C ATOM 1030 OD1 ASN T 67 1.120 -14.389 -6.563 1.00 0.00 O flip ATOM 1031 ND2 ASN T 67 0.981 -16.339 -7.667 1.00 0.00 N flip ATOM 0 H ASN T 67 1.966 -15.294 -4.706 1.00 0.00 H new ATOM 0 HA ASN T 67 4.600 -16.211 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN T 67 3.570 -14.682 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN T 67 3.487 -16.431 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN T 67 1.437 -17.137 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN T 67 -0.037 -16.277 -7.652 1.00 0.00 H new ATOM 1038 N CYS T 68 3.505 -13.344 -4.687 1.00 0.00 N ATOM 1039 CA CYS T 68 3.894 -11.991 -4.305 1.00 0.00 C ATOM 1040 C CYS T 68 4.436 -11.961 -2.880 1.00 0.00 C ATOM 1041 O CYS T 68 4.642 -10.892 -2.305 1.00 0.00 O ATOM 1042 CB CYS T 68 2.701 -11.041 -4.429 1.00 0.00 C ATOM 1043 SG CYS T 68 1.121 -11.874 -4.785 1.00 0.00 S ATOM 0 H CYS T 68 2.589 -13.633 -4.342 1.00 0.00 H new ATOM 0 HA CYS T 68 4.684 -11.663 -4.981 1.00 0.00 H new ATOM 0 HB2 CYS T 68 2.601 -10.477 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS T 68 2.905 -10.320 -5.220 1.00 0.00 H new ATOM 1048 N GLY T 69 4.666 -13.142 -2.315 1.00 0.00 N ATOM 1049 CA GLY T 69 5.184 -13.231 -0.963 1.00 0.00 C ATOM 1050 C GLY T 69 6.459 -14.047 -0.896 1.00 0.00 C ATOM 1051 O GLY T 69 7.379 -13.712 -0.151 1.00 0.00 O ATOM 0 H GLY T 69 4.502 -14.040 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY T 69 5.375 -12.228 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY T 69 4.431 -13.681 -0.315 1.00 0.00 H new ATOM 1055 N PHE T 70 6.513 -15.119 -1.680 1.00 0.00 N ATOM 1056 CA PHE T 70 7.685 -15.988 -1.711 1.00 0.00 C ATOM 1057 C PHE T 70 7.901 -16.664 -0.361 1.00 0.00 C ATOM 1058 O PHE T 70 9.032 -16.776 0.113 1.00 0.00 O ATOM 1059 CB PHE T 70 8.930 -15.189 -2.102 1.00 0.00 C ATOM 1060 CG PHE T 70 9.621 -15.707 -3.331 1.00 0.00 C ATOM 1061 CD1 PHE T 70 9.013 -15.619 -4.573 1.00 0.00 C ATOM 1062 CD2 PHE T 70 10.879 -16.281 -3.244 1.00 0.00 C ATOM 1063 CE1 PHE T 70 9.646 -16.095 -5.705 1.00 0.00 C ATOM 1064 CE2 PHE T 70 11.517 -16.759 -4.373 1.00 0.00 C ATOM 1065 CZ PHE T 70 10.900 -16.665 -5.605 1.00 0.00 C ATOM 0 H PHE T 70 5.758 -15.407 -2.303 1.00 0.00 H new ATOM 0 HA PHE T 70 7.510 -16.762 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE T 70 8.646 -14.150 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE T 70 9.633 -15.199 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE T 70 8.033 -15.173 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE T 70 11.367 -16.356 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE T 70 9.161 -16.021 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE T 70 12.497 -17.206 -4.292 1.00 0.00 H new ATOM 0 HZ PHE T 70 11.397 -17.037 -6.489 1.00 0.00 H new ATOM 1075 N GLY T 71 6.812 -17.118 0.250 1.00 0.00 N ATOM 1076 CA GLY T 71 6.904 -17.783 1.537 1.00 0.00 C ATOM 1077 C GLY T 71 7.093 -16.792 2.669 1.00 0.00 C ATOM 1078 O GLY T 71 7.510 -17.167 3.765 1.00 0.00 O ATOM 0 H GLY T 71 5.866 -17.037 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY T 71 5.999 -18.366 1.711 1.00 0.00 H new ATOM 0 HA3 GLY T 71 7.738 -18.485 1.525 1.00 0.00 H new ATOM 1082 N LYS T 72 6.785 -15.526 2.407 1.00 0.00 N ATOM 1083 CA LYS T 72 6.923 -14.484 3.418 1.00 0.00 C ATOM 1084 C LYS T 72 5.617 -14.290 4.180 1.00 0.00 C ATOM 1085 O LYS T 72 4.538 -14.587 3.669 1.00 0.00 O ATOM 1086 CB LYS T 72 7.350 -13.165 2.770 1.00 0.00 C ATOM 1087 CG LYS T 72 8.827 -13.118 2.418 1.00 0.00 C ATOM 1088 CD LYS T 72 9.480 -11.843 2.926 1.00 0.00 C ATOM 1089 CE LYS T 72 10.708 -11.479 2.107 1.00 0.00 C ATOM 1090 NZ LYS T 72 11.734 -12.558 2.138 1.00 0.00 N ATOM 0 H LYS T 72 6.439 -15.197 1.505 1.00 0.00 H new ATOM 0 HA LYS T 72 7.692 -14.798 4.124 1.00 0.00 H new ATOM 0 HB2 LYS T 72 6.763 -13.006 1.865 1.00 0.00 H new ATOM 0 HB3 LYS T 72 7.119 -12.344 3.448 1.00 0.00 H new ATOM 0 HG2 LYS T 72 9.332 -13.983 2.848 1.00 0.00 H new ATOM 0 HG3 LYS T 72 8.947 -13.184 1.337 1.00 0.00 H new ATOM 0 HD2 LYS T 72 8.761 -11.025 2.888 1.00 0.00 H new ATOM 0 HD3 LYS T 72 9.763 -11.970 3.971 1.00 0.00 H new ATOM 0 HE2 LYS T 72 10.413 -11.288 1.075 1.00 0.00 H new ATOM 0 HE3 LYS T 72 11.140 -10.555 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 12.612 -12.215 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 11.923 -12.829 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 11.385 -13.385 1.612 1.00 0.00 H new ATOM 1104 N THR T 73 5.724 -13.791 5.407 1.00 0.00 N ATOM 1105 CA THR T 73 4.555 -13.560 6.241 1.00 0.00 C ATOM 1106 C THR T 73 4.526 -12.127 6.762 1.00 0.00 C ATOM 1107 O THR T 73 5.526 -11.620 7.268 1.00 0.00 O ATOM 1108 CB THR T 73 4.526 -14.527 7.436 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.841 -15.031 7.692 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.578 -15.686 7.168 1.00 0.00 C ATOM 0 H THR T 73 6.610 -13.539 5.844 1.00 0.00 H new ATOM 0 HA THR T 73 3.679 -13.734 5.617 1.00 0.00 H new ATOM 0 HB THR T 73 4.171 -13.980 8.310 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.813 -15.645 8.456 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.573 -16.358 8.026 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.572 -15.302 7.002 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.909 -16.230 6.283 1.00 0.00 H new ATOM 1118 N GLY T 74 3.374 -11.480 6.632 1.00 0.00 N ATOM 1119 CA GLY T 74 3.235 -10.111 7.091 1.00 0.00 C ATOM 1120 C GLY T 74 3.584 -9.114 6.005 1.00 0.00 C ATOM 1121 O GLY T 74 3.869 -9.500 4.871 1.00 0.00 O ATOM 0 H GLY T 74 2.533 -11.880 6.216 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.211 -9.942 7.424 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.882 -9.950 7.954 1.00 0.00 H new ATOM 1125 N ILE T 75 3.563 -7.831 6.348 1.00 0.00 N ATOM 1126 CA ILE T 75 3.882 -6.784 5.387 1.00 0.00 C ATOM 1127 C ILE T 75 5.364 -6.794 5.039 1.00 0.00 C ATOM 1128 O ILE T 75 6.210 -6.460 5.869 1.00 0.00 O ATOM 1129 CB ILE T 75 3.500 -5.389 5.914 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.052 -5.390 6.409 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.702 -4.343 4.826 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.374 -4.041 6.318 1.00 0.00 C ATOM 0 H ILE T 75 3.329 -7.492 7.281 1.00 0.00 H new ATOM 0 HA ILE T 75 3.296 -6.993 4.492 1.00 0.00 H new ATOM 0 HB ILE T 75 4.148 -5.137 6.754 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.480 -6.113 5.828 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.033 -5.727 7.446 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.428 -3.360 5.211 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.748 -4.334 4.519 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.074 -4.584 3.968 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.351 -4.122 6.687 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.921 -3.317 6.922 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.360 -3.710 5.280 1.00 0.00 H new ATOM 1144 N ILE T 76 5.670 -7.177 3.806 1.00 0.00 N ATOM 1145 CA ILE T 76 7.050 -7.229 3.344 1.00 0.00 C ATOM 1146 C ILE T 76 7.474 -5.894 2.742 1.00 0.00 C ATOM 1147 O ILE T 76 7.489 -5.727 1.522 1.00 0.00 O ATOM 1148 CB ILE T 76 7.256 -8.345 2.301 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.727 -9.682 2.831 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.727 -8.462 1.934 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.956 -9.883 4.313 1.00 0.00 C ATOM 0 H ILE T 76 4.981 -7.456 3.108 1.00 0.00 H new ATOM 0 HA ILE T 76 7.669 -7.445 4.215 1.00 0.00 H new ATOM 0 HB ILE T 76 6.695 -8.086 1.403 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.659 -9.747 2.626 1.00 0.00 H new ATOM 0 HG13 ILE T 76 7.207 -10.494 2.285 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.856 -9.254 1.197 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.074 -7.517 1.516 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.307 -8.699 2.826 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.555 -10.851 4.615 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.025 -9.851 4.524 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.453 -9.092 4.869 1.00 0.00 H new ATOM 1163 N ASP T 77 7.813 -4.944 3.607 1.00 0.00 N ATOM 1164 CA ASP T 77 8.235 -3.619 3.165 1.00 0.00 C ATOM 1165 C ASP T 77 9.752 -3.479 3.240 1.00 0.00 C ATOM 1166 O ASP T 77 10.351 -3.660 4.300 1.00 0.00 O ATOM 1167 CB ASP T 77 7.569 -2.538 4.017 1.00 0.00 C ATOM 1168 CG ASP T 77 7.341 -1.251 3.249 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.298 -0.761 2.613 1.00 0.00 O ATOM 1170 OD2 ASP T 77 6.205 -0.732 3.283 1.00 0.00 O ATOM 0 H ASP T 77 7.804 -5.067 4.620 1.00 0.00 H new ATOM 0 HA ASP T 77 7.927 -3.494 2.127 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.614 -2.910 4.388 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.191 -2.332 4.888 1.00 0.00 H new ATOM 1175 N TYR T 78 10.366 -3.158 2.107 1.00 0.00 N ATOM 1176 CA TYR T 78 11.810 -2.996 2.039 1.00 0.00 C ATOM 1177 C TYR T 78 12.224 -1.593 2.472 1.00 0.00 C ATOM 1178 O TYR T 78 13.403 -1.240 2.424 1.00 0.00 O ATOM 1179 CB TYR T 78 12.294 -3.270 0.617 1.00 0.00 C ATOM 1180 CG TYR T 78 12.100 -4.704 0.177 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.844 -5.296 0.214 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.172 -5.466 -0.273 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.661 -6.607 -0.184 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.996 -6.777 -0.673 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.739 -7.342 -0.626 1.00 0.00 C ATOM 1186 OH TYR T 78 11.561 -8.648 -1.024 1.00 0.00 O ATOM 0 H TYR T 78 9.883 -3.005 1.222 1.00 0.00 H new ATOM 0 HA TYR T 78 12.270 -3.711 2.722 1.00 0.00 H new ATOM 0 HB2 TYR T 78 11.763 -2.613 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.352 -3.017 0.547 1.00 0.00 H new ATOM 0 HD1 TYR T 78 9.997 -4.723 0.559 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.158 -5.027 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.678 -7.053 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.839 -7.356 -1.021 1.00 0.00 H new ATOM 0 HH TYR T 78 12.420 -9.023 -1.308 1.00 0.00 H new ATOM 1196 N GLY T 79 11.247 -0.797 2.894 1.00 0.00 N ATOM 1197 CA GLY T 79 11.529 0.557 3.330 1.00 0.00 C ATOM 1198 C GLY T 79 11.683 1.492 2.146 1.00 0.00 C ATOM 1199 O GLY T 79 11.707 1.050 0.997 1.00 0.00 O ATOM 0 H GLY T 79 10.264 -1.066 2.942 1.00 0.00 H new ATOM 0 HA2 GLY T 79 10.723 0.910 3.974 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.441 0.568 3.926 1.00 0.00 H new ATOM 1203 N ILE T 80 11.789 2.787 2.427 1.00 0.00 N ATOM 1204 CA ILE T 80 11.941 3.786 1.376 1.00 0.00 C ATOM 1205 C ILE T 80 13.268 3.612 0.643 1.00 0.00 C ATOM 1206 O ILE T 80 14.337 3.694 1.248 1.00 0.00 O ATOM 1207 CB ILE T 80 11.866 5.215 1.945 1.00 0.00 C ATOM 1208 CG1 ILE T 80 10.691 5.340 2.916 1.00 0.00 C ATOM 1209 CG2 ILE T 80 11.740 6.228 0.816 1.00 0.00 C ATOM 1210 CD1 ILE T 80 10.910 6.365 4.006 1.00 0.00 C ATOM 0 H ILE T 80 11.772 3.168 3.373 1.00 0.00 H new ATOM 0 HA ILE T 80 11.119 3.638 0.676 1.00 0.00 H new ATOM 0 HB ILE T 80 12.786 5.422 2.491 1.00 0.00 H new ATOM 0 HG12 ILE T 80 9.794 5.605 2.355 1.00 0.00 H new ATOM 0 HG13 ILE T 80 10.505 4.369 3.375 1.00 0.00 H new ATOM 0 HG21 ILE T 80 11.688 7.234 1.234 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.607 6.152 0.160 1.00 0.00 H new ATOM 0 HG23 ILE T 80 10.834 6.025 0.245 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.035 6.398 4.656 1.00 0.00 H new ATOM 0 HD12 ILE T 80 11.787 6.091 4.592 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.065 7.346 3.557 1.00 0.00 H new ATOM 1222 N ARG T 81 13.191 3.369 -0.662 1.00 0.00 N ATOM 1223 CA ARG T 81 14.388 3.183 -1.475 1.00 0.00 C ATOM 1224 C ARG T 81 14.566 4.338 -2.455 1.00 0.00 C ATOM 1225 O ARG T 81 15.145 4.171 -3.529 1.00 0.00 O ATOM 1226 CB ARG T 81 14.312 1.858 -2.236 1.00 0.00 C ATOM 1227 CG ARG T 81 14.539 0.639 -1.358 1.00 0.00 C ATOM 1228 CD ARG T 81 15.977 0.564 -0.868 1.00 0.00 C ATOM 1229 NE ARG T 81 16.088 -0.166 0.392 1.00 0.00 N ATOM 1230 CZ ARG T 81 16.664 -1.358 0.504 1.00 0.00 C ATOM 1231 NH1 ARG T 81 17.179 -1.952 -0.565 1.00 0.00 N ATOM 1232 NH2 ARG T 81 16.724 -1.959 1.684 1.00 0.00 N ATOM 0 H ARG T 81 12.314 3.296 -1.178 1.00 0.00 H new ATOM 0 HA ARG T 81 15.250 3.162 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.334 1.777 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG T 81 15.054 1.864 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.864 0.674 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG T 81 14.297 -0.264 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG T 81 16.593 0.077 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG T 81 16.369 1.573 -0.738 1.00 0.00 H new ATOM 0 HE ARG T 81 15.702 0.263 1.233 1.00 0.00 H new ATOM 0 HH11 ARG T 81 17.133 -1.493 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG T 81 17.621 -2.867 -0.477 1.00 0.00 H new ATOM 0 HH21 ARG T 81 16.328 -1.506 2.508 1.00 0.00 H new ATOM 0 HH22 ARG T 81 17.167 -2.874 1.768 1.00 0.00 H new ATOM 1246 N LEU T 82 14.064 5.511 -2.077 1.00 0.00 N ATOM 1247 CA LEU T 82 14.166 6.696 -2.922 1.00 0.00 C ATOM 1248 C LEU T 82 13.631 6.413 -4.321 1.00 0.00 C ATOM 1249 O LEU T 82 14.056 7.032 -5.297 1.00 0.00 O ATOM 1250 CB LEU T 82 15.619 7.165 -3.002 1.00 0.00 C ATOM 1251 CG LEU T 82 15.836 8.674 -2.862 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.081 9.427 -3.947 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.403 9.150 -1.483 1.00 0.00 C ATOM 0 H LEU T 82 13.583 5.665 -1.191 1.00 0.00 H new ATOM 0 HA LEU T 82 13.561 7.485 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.188 6.660 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.034 6.844 -3.957 1.00 0.00 H new ATOM 0 HG LEU T 82 16.900 8.879 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU T 82 15.248 10.498 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU T 82 15.438 9.109 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.015 9.215 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.565 10.225 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.345 8.930 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.989 8.636 -0.720 1.00 0.00 H new ATOM 1265 N ASN T 83 12.696 5.473 -4.412 1.00 0.00 N ATOM 1266 CA ASN T 83 12.102 5.107 -5.691 1.00 0.00 C ATOM 1267 C ASN T 83 10.622 5.471 -5.729 1.00 0.00 C ATOM 1268 O ASN T 83 9.775 4.641 -6.058 1.00 0.00 O ATOM 1269 CB ASN T 83 12.277 3.609 -5.950 1.00 0.00 C ATOM 1270 CG ASN T 83 13.734 3.189 -5.943 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.099 2.181 -5.339 1.00 0.00 O ATOM 1272 ND2 ASN T 83 14.574 3.964 -6.618 1.00 0.00 N ATOM 0 H ASN T 83 12.334 4.951 -3.614 1.00 0.00 H new ATOM 0 HA ASN T 83 12.615 5.666 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN T 83 11.735 3.046 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.833 3.355 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN T 83 15.567 3.733 -6.650 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.227 4.791 -7.104 1.00 0.00 H new ATOM 1279 N ARG T 84 10.315 6.721 -5.391 1.00 0.00 N ATOM 1280 CA ARG T 84 8.940 7.195 -5.387 1.00 0.00 C ATOM 1281 C ARG T 84 8.406 7.324 -6.810 1.00 0.00 C ATOM 1282 O ARG T 84 7.286 7.784 -7.024 1.00 0.00 O ATOM 1283 CB ARG T 84 8.848 8.543 -4.672 1.00 0.00 C ATOM 1284 CG ARG T 84 8.954 8.439 -3.160 1.00 0.00 C ATOM 1285 CD ARG T 84 10.397 8.520 -2.692 1.00 0.00 C ATOM 1286 NE ARG T 84 10.575 9.500 -1.625 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.299 10.607 -1.755 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.908 10.874 -2.903 1.00 0.00 N ATOM 1289 NH2 ARG T 84 11.417 11.450 -0.738 1.00 0.00 N ATOM 0 H ARG T 84 11.003 7.422 -5.117 1.00 0.00 H new ATOM 0 HA ARG T 84 8.330 6.465 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.641 9.194 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.901 9.017 -4.930 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.376 9.240 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.516 7.498 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.719 7.540 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG T 84 11.037 8.782 -3.535 1.00 0.00 H new ATOM 0 HE ARG T 84 10.118 9.326 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG T 84 11.821 10.229 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG T 84 12.463 11.724 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG T 84 10.951 11.250 0.147 1.00 0.00 H new ATOM 0 HH22 ARG T 84 11.973 12.299 -0.841 1.00 0.00 H new ATOM 1303 N SER T 85 9.218 6.911 -7.779 1.00 0.00 N ATOM 1304 CA SER T 85 8.830 6.978 -9.182 1.00 0.00 C ATOM 1305 C SER T 85 8.512 5.587 -9.721 1.00 0.00 C ATOM 1306 O SER T 85 8.286 5.411 -10.919 1.00 0.00 O ATOM 1307 CB SER T 85 9.944 7.618 -10.012 1.00 0.00 C ATOM 1308 OG SER T 85 9.751 9.017 -10.132 1.00 0.00 O ATOM 0 H SER T 85 10.149 6.527 -7.617 1.00 0.00 H new ATOM 0 HA SER T 85 7.933 7.593 -9.258 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.909 7.420 -9.546 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.970 7.165 -11.003 1.00 0.00 H new ATOM 0 HG SER T 85 10.477 9.403 -10.665 1.00 0.00 H new ATOM 1314 N GLU T 86 8.495 4.602 -8.829 1.00 0.00 N ATOM 1315 CA GLU T 86 8.202 3.226 -9.212 1.00 0.00 C ATOM 1316 C GLU T 86 6.725 3.064 -9.551 1.00 0.00 C ATOM 1317 O GLU T 86 5.989 4.046 -9.635 1.00 0.00 O ATOM 1318 CB GLU T 86 8.590 2.269 -8.084 1.00 0.00 C ATOM 1319 CG GLU T 86 10.019 1.763 -8.181 1.00 0.00 C ATOM 1320 CD GLU T 86 10.124 0.452 -8.936 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.345 0.254 -9.893 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.985 -0.377 -8.572 1.00 0.00 O ATOM 0 H GLU T 86 8.681 4.732 -7.835 1.00 0.00 H new ATOM 0 HA GLU T 86 8.788 2.985 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.457 2.775 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.910 1.417 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.633 2.514 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.423 1.633 -7.177 1.00 0.00 H new ATOM 1329 N ARG T 87 6.294 1.821 -9.745 1.00 0.00 N ATOM 1330 CA ARG T 87 4.902 1.547 -10.076 1.00 0.00 C ATOM 1331 C ARG T 87 4.334 0.422 -9.220 1.00 0.00 C ATOM 1332 O ARG T 87 4.739 -0.734 -9.338 1.00 0.00 O ATOM 1333 CB ARG T 87 4.760 1.190 -11.553 1.00 0.00 C ATOM 1334 CG ARG T 87 5.696 1.961 -12.469 1.00 0.00 C ATOM 1335 CD ARG T 87 5.390 1.699 -13.935 1.00 0.00 C ATOM 1336 NE ARG T 87 4.105 2.267 -14.333 1.00 0.00 N ATOM 1337 CZ ARG T 87 3.907 3.564 -14.546 1.00 0.00 C ATOM 1338 NH1 ARG T 87 4.906 4.423 -14.401 1.00 0.00 N ATOM 1339 NH2 ARG T 87 2.708 4.002 -14.906 1.00 0.00 N ATOM 0 H ARG T 87 6.886 0.993 -9.679 1.00 0.00 H new ATOM 0 HA ARG T 87 4.335 2.455 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.944 0.123 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.731 1.374 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.609 3.028 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.727 1.679 -12.256 1.00 0.00 H new ATOM 0 HD2 ARG T 87 6.181 2.124 -14.553 1.00 0.00 H new ATOM 0 HD3 ARG T 87 5.384 0.625 -14.118 1.00 0.00 H new ATOM 0 HE ARG T 87 3.315 1.633 -14.454 1.00 0.00 H new ATOM 0 HH11 ARG T 87 5.830 4.089 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG T 87 4.751 5.418 -14.565 1.00 0.00 H new ATOM 0 HH21 ARG T 87 1.937 3.343 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG T 87 2.557 4.997 -15.069 1.00 0.00 H new ATOM 1353 N TRP T 88 3.379 0.778 -8.372 1.00 0.00 N ATOM 1354 CA TRP T 88 2.718 -0.181 -7.490 1.00 0.00 C ATOM 1355 C TRP T 88 1.321 0.313 -7.135 1.00 0.00 C ATOM 1356 O TRP T 88 0.843 1.301 -7.690 1.00 0.00 O ATOM 1357 CB TRP T 88 3.520 -0.394 -6.200 1.00 0.00 C ATOM 1358 CG TRP T 88 5.005 -0.355 -6.386 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.836 0.687 -6.101 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.836 -1.408 -6.889 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.135 0.349 -6.399 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.161 -0.932 -6.886 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.588 -2.707 -7.344 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.232 -1.708 -7.318 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.654 -3.477 -7.773 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.962 -2.975 -7.757 1.00 0.00 C ATOM 0 H TRP T 88 3.040 1.735 -8.274 1.00 0.00 H new ATOM 0 HA TRP T 88 2.652 -1.131 -8.021 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.235 0.372 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.244 -1.357 -5.769 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.520 1.639 -5.700 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.948 0.953 -6.277 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.583 -3.102 -7.360 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.241 -1.323 -7.307 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.475 -4.482 -8.126 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.773 -3.601 -8.098 1.00 0.00 H new ATOM 1377 N ASP T 89 0.677 -0.370 -6.199 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.656 0.009 -5.761 1.00 0.00 C ATOM 1379 C ASP T 89 -0.579 1.132 -4.734 1.00 0.00 C ATOM 1380 O ASP T 89 0.488 1.700 -4.501 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.374 -1.201 -5.166 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.031 -2.483 -5.896 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.155 -2.874 -5.885 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.949 -3.097 -6.481 1.00 0.00 O ATOM 0 H ASP T 89 1.058 -1.191 -5.728 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.219 0.366 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.105 -1.300 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.451 -1.039 -5.206 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.713 1.448 -4.120 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.763 2.506 -3.120 1.00 0.00 C ATOM 1391 C ALA T 90 -2.772 2.179 -2.023 1.00 0.00 C ATOM 1392 O ALA T 90 -3.880 1.723 -2.305 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.118 3.829 -3.778 1.00 0.00 C ATOM 0 H ALA T 90 -2.606 0.989 -4.296 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.778 2.586 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.153 4.614 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.364 4.078 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.092 3.746 -4.260 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.390 2.426 -0.773 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.270 2.169 0.357 1.00 0.00 C ATOM 1401 C TYR T 91 -3.861 3.479 0.867 1.00 0.00 C ATOM 1402 O TYR T 91 -3.130 4.433 1.133 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.502 1.469 1.478 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.308 -0.019 1.265 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.371 -0.911 1.374 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.055 -0.532 0.959 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.186 -2.266 1.184 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.863 -1.887 0.767 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.931 -2.749 0.880 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.743 -4.098 0.690 1.00 0.00 O ATOM 0 H TYR T 91 -1.477 2.804 -0.520 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.081 1.518 0.029 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.525 1.940 1.582 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.032 1.624 2.418 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.356 -0.537 1.611 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.215 0.140 0.869 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.021 -2.945 1.273 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.119 -2.268 0.530 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.245 -4.245 -0.141 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.182 3.527 0.994 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.854 4.733 1.463 1.00 0.00 C ATOM 1422 C CYS T 92 -6.207 4.630 2.943 1.00 0.00 C ATOM 1423 O CYS T 92 -6.245 3.539 3.510 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.117 4.992 0.640 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.965 6.378 -0.535 1.00 0.00 S ATOM 0 H CYS T 92 -5.806 2.749 0.780 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.167 5.569 1.335 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.370 4.087 0.088 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.946 5.194 1.319 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.461 5.780 3.559 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.808 5.836 4.971 1.00 0.00 C ATOM 1432 C TYR T 93 -7.688 7.044 5.263 1.00 0.00 C ATOM 1433 O TYR T 93 -7.285 8.185 5.045 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.544 5.903 5.825 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.814 5.748 7.304 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.328 6.804 8.046 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.558 4.549 7.959 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.578 6.672 9.398 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.807 4.409 9.311 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.316 5.474 10.026 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.564 5.337 11.373 1.00 0.00 O ATOM 0 H TYR T 93 -6.432 6.689 3.098 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.362 4.931 5.220 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.855 5.121 5.504 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.046 6.857 5.651 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.536 7.744 7.557 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.158 3.714 7.403 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.977 7.504 9.960 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.604 3.471 9.806 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.326 4.430 11.659 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.888 6.784 5.763 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.827 7.847 6.092 1.00 0.00 C ATOM 1453 C ASN T 94 -10.615 7.497 7.346 1.00 0.00 C ATOM 1454 O ASN T 94 -10.910 6.328 7.598 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.788 8.091 4.927 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.226 9.043 3.891 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.076 9.471 3.983 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -11.039 9.382 2.897 1.00 0.00 N ATOM 0 H ASN T 94 -9.235 5.843 5.950 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.257 8.757 6.278 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.022 7.139 4.450 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.725 8.493 5.313 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.717 10.021 2.170 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.985 9.003 2.860 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.976 8.507 8.149 1.00 0.00 N ATOM 1466 CA PRO T 95 -11.745 8.300 9.378 1.00 0.00 C ATOM 1467 C PRO T 95 -13.055 7.578 9.101 1.00 0.00 C ATOM 1468 O PRO T 95 -13.372 6.573 9.738 1.00 0.00 O ATOM 1469 CB PRO T 95 -12.010 9.720 9.898 1.00 0.00 C ATOM 1470 CG PRO T 95 -11.716 10.623 8.746 1.00 0.00 C ATOM 1471 CD PRO T 95 -10.679 9.925 7.919 1.00 0.00 C ATOM 0 HA PRO T 95 -11.210 7.678 10.096 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -13.042 9.831 10.231 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -11.373 9.951 10.752 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -12.616 10.813 8.161 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -11.351 11.590 9.093 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -10.759 10.189 6.864 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -9.669 10.183 8.236 1.00 0.00 H new ATOM 1479 N HIS T 96 -13.809 8.095 8.138 1.00 0.00 N ATOM 1480 CA HIS T 96 -15.083 7.499 7.759 1.00 0.00 C ATOM 1481 C HIS T 96 -14.933 6.681 6.480 1.00 0.00 C ATOM 1482 O HIS T 96 -15.661 5.713 6.262 1.00 0.00 O ATOM 1483 CB HIS T 96 -16.141 8.587 7.565 1.00 0.00 C ATOM 1484 CG HIS T 96 -15.984 9.351 6.287 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -14.894 10.151 6.017 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -16.787 9.433 5.199 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -15.034 10.693 4.820 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -16.174 10.273 4.302 1.00 0.00 N ATOM 0 H HIS T 96 -13.559 8.928 7.605 1.00 0.00 H new ATOM 0 HA HIS T 96 -15.403 6.834 8.561 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -17.130 8.129 7.586 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -16.094 9.282 8.403 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -17.733 8.931 5.062 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -14.335 11.366 4.346 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -16.540 10.531 3.385 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.977 7.080 5.643 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.714 6.392 4.380 1.00 0.00 C ATOM 1499 C ALA T 97 -14.966 5.698 3.854 1.00 0.00 C ATOM 1500 O ALA T 97 -15.028 4.470 3.789 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.582 5.388 4.551 1.00 0.00 C ATOM 0 H ALA T 97 -13.369 7.880 5.818 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.415 7.140 3.646 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.397 4.883 3.603 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.678 5.909 4.867 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.859 4.652 5.306 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.964 6.492 3.477 1.00 0.00 N ATOM 1508 CA LYS T 98 -17.214 5.954 2.955 1.00 0.00 C ATOM 1509 C LYS T 98 -17.101 5.667 1.461 1.00 0.00 C ATOM 1510 O LYS T 98 -16.897 6.626 0.688 1.00 0.00 O ATOM 1511 CB LYS T 98 -18.361 6.933 3.213 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.711 6.422 2.735 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.793 6.646 3.779 1.00 0.00 C ATOM 1514 CE LYS T 98 -21.730 5.452 3.877 1.00 0.00 C ATOM 1515 NZ LYS T 98 -23.104 5.787 3.411 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.216 4.483 1.078 1.00 0.00 O ATOM 0 H LYS T 98 -15.930 7.510 3.524 1.00 0.00 H new ATOM 0 HA LYS T 98 -17.422 5.017 3.472 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -18.417 7.141 4.281 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -18.141 7.877 2.715 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.986 6.929 1.810 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -19.639 5.359 2.507 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -20.331 6.828 4.749 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -21.365 7.539 3.526 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -21.334 4.630 3.281 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -21.771 5.106 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -23.713 4.948 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -23.492 6.555 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -23.069 6.093 2.418 1.00 0.00 H new TER 1530 LYS T 98