USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 114 SER OG : rot 116:sc= 0.0379 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.0285 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.0874 K(o=-4.5,f=-19!) USER MOD Set 2.2: A 96 ASN :FLIP amide:sc= -2.51 F(o=-12!,f=-4.5) USER MOD Set 2.3: A 98 GLN : amide:sc= -1.86 K(o=-4.5,f=-8.3) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-2.6) USER MOD Single : A 11 TYR OH : rot 80:sc= -0.394 USER MOD Single : A 14 GLN : amide:sc= -0.329 K(o=-0.33,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= -1.96! (180deg=-5.2!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0642 (180deg=-0.754) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.036) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 42 CYS SG : rot -8:sc= -1.55! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 88:sc= -0.524! USER MOD Single : A 64 GLN : amide:sc=-0.00528 K(o=-0.0053,f=-1.5!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.3!) USER MOD Single : A 69 THR OG1 : rot -4:sc= -0.238 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00255 USER MOD Single : A 84 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.4!) USER MOD Single : A 106 THR OG1 : rot -7:sc= 0.617 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -47:sc= 0.506 USER MOD Single : A 113 ASN : amide:sc=-0.00167 K(o=-0.0017,f=-1.4!) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc=-0.00544 X(o=-0.0054,f=-0.4) USER MOD Single : A 123 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 115.713 10.148 -0.982 1.00 0.00 C HETATM 2 O1 MYR A 1 114.948 10.955 -0.455 1.00 0.00 O HETATM 3 C2 MYR A 1 115.520 8.794 -0.679 1.00 0.00 C HETATM 4 C3 MYR A 1 114.102 8.529 -0.158 1.00 0.00 C HETATM 5 C4 MYR A 1 113.058 8.777 -1.240 1.00 0.00 C HETATM 6 C5 MYR A 1 111.685 9.068 -0.647 1.00 0.00 C HETATM 7 C6 MYR A 1 111.529 8.409 0.725 1.00 0.00 C HETATM 8 C7 MYR A 1 110.099 7.960 1.058 1.00 0.00 C HETATM 9 C8 MYR A 1 109.845 7.631 2.536 1.00 0.00 C HETATM 10 C9 MYR A 1 109.925 6.134 2.884 1.00 0.00 C HETATM 11 C10 MYR A 1 108.648 5.612 3.554 1.00 0.00 C HETATM 12 C11 MYR A 1 108.865 4.288 4.309 1.00 0.00 C HETATM 13 C12 MYR A 1 107.567 3.490 4.418 1.00 0.00 C HETATM 14 C13 MYR A 1 107.580 2.274 3.491 1.00 0.00 C HETATM 15 C14 MYR A 1 106.658 1.175 4.000 1.00 0.00 C HETATM 0 H143 MYR A 1 106.983 0.857 4.991 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.638 1.554 4.057 1.00 0.00 H new HETATM 0 H141 MYR A 1 106.692 0.326 3.317 1.00 0.00 H new HETATM 0 H132 MYR A 1 107.271 2.575 2.490 1.00 0.00 H new HETATM 0 H131 MYR A 1 108.596 1.889 3.409 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.425 3.163 5.448 1.00 0.00 H new HETATM 0 H121 MYR A 1 106.722 4.131 4.168 1.00 0.00 H new HETATM 0 H112 MYR A 1 109.618 3.692 3.793 1.00 0.00 H new HETATM 0 H111 MYR A 1 109.251 4.495 5.307 1.00 0.00 H new HETATM 0 H102 MYR A 1 108.275 6.364 4.250 1.00 0.00 H new HETATM 0 H101 MYR A 1 107.878 5.470 2.796 1.00 0.00 H new HETATM 0 H92 MYR A 1 110.112 5.563 1.974 1.00 0.00 H new HETATM 0 H91 MYR A 1 110.773 5.964 3.547 1.00 0.00 H new HETATM 0 H82 MYR A 1 110.571 8.171 3.144 1.00 0.00 H new HETATM 0 H81 MYR A 1 108.858 8.002 2.813 1.00 0.00 H new HETATM 0 H72 MYR A 1 109.408 8.746 0.753 1.00 0.00 H new HETATM 0 H71 MYR A 1 109.863 7.079 0.461 1.00 0.00 H new HETATM 0 H62 MYR A 1 112.189 7.543 0.775 1.00 0.00 H new HETATM 0 H61 MYR A 1 111.864 9.109 1.490 1.00 0.00 H new HETATM 0 H52 MYR A 1 111.546 10.145 -0.555 1.00 0.00 H new HETATM 0 H51 MYR A 1 110.909 8.703 -1.320 1.00 0.00 H new HETATM 0 H42 MYR A 1 113.371 9.616 -1.861 1.00 0.00 H new HETATM 0 H41 MYR A 1 112.995 7.905 -1.891 1.00 0.00 H new HETATM 0 H32 MYR A 1 114.028 7.500 0.193 1.00 0.00 H new HETATM 0 H31 MYR A 1 113.901 9.173 0.698 1.00 0.00 H new HETATM 0 H22 MYR A 1 115.699 8.192 -1.570 1.00 0.00 H new HETATM 0 H21 MYR A 1 116.248 8.481 0.069 1.00 0.00 H new ATOM 43 N GLY A 2 117.034 10.281 -0.958 1.00 0.00 N ATOM 44 CA GLY A 2 117.666 11.424 -0.308 1.00 0.00 C ATOM 45 C GLY A 2 117.592 11.296 1.209 1.00 0.00 C ATOM 46 O GLY A 2 117.143 10.278 1.736 1.00 0.00 O ATOM 0 HA2 GLY A 2 118.708 11.495 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 2 117.175 12.344 -0.624 1.00 0.00 H new ATOM 50 N GLN A 3 118.036 12.336 1.908 1.00 0.00 N ATOM 51 CA GLN A 3 118.004 12.334 3.366 1.00 0.00 C ATOM 52 C GLN A 3 116.636 11.889 3.871 1.00 0.00 C ATOM 53 O GLN A 3 116.504 11.417 5.001 1.00 0.00 O ATOM 54 CB GLN A 3 118.318 13.733 3.897 1.00 0.00 C ATOM 55 CG GLN A 3 118.587 13.660 5.401 1.00 0.00 C ATOM 56 CD GLN A 3 118.987 15.036 5.926 1.00 0.00 C ATOM 57 OE1 GLN A 3 118.357 16.037 5.588 1.00 0.00 O ATOM 58 NE2 GLN A 3 120.002 15.143 6.739 1.00 0.00 N ATOM 0 H GLN A 3 118.419 13.185 1.492 1.00 0.00 H new ATOM 0 HA GLN A 3 118.756 11.633 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 3 119.186 14.143 3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 3 117.483 14.405 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 3 117.697 13.308 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 3 119.380 12.940 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 3 120.522 14.311 7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 3 120.275 16.059 7.096 1.00 0.00 H new ATOM 67 N GLU A 4 115.620 12.044 3.028 1.00 0.00 N ATOM 68 CA GLU A 4 114.266 11.648 3.398 1.00 0.00 C ATOM 69 C GLU A 4 114.274 10.283 4.078 1.00 0.00 C ATOM 70 O GLU A 4 113.325 9.920 4.772 1.00 0.00 O ATOM 71 CB GLU A 4 113.379 11.596 2.153 1.00 0.00 C ATOM 72 CG GLU A 4 111.919 11.413 2.572 1.00 0.00 C ATOM 73 CD GLU A 4 111.018 11.429 1.343 1.00 0.00 C ATOM 74 OE1 GLU A 4 109.884 10.991 1.458 1.00 0.00 O ATOM 75 OE2 GLU A 4 111.473 11.880 0.304 1.00 0.00 O ATOM 0 H GLU A 4 115.707 12.438 2.091 1.00 0.00 H new ATOM 0 HA GLU A 4 113.869 12.386 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 4 113.490 12.514 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.689 10.774 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 4 111.801 10.471 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 4 111.627 12.208 3.258 1.00 0.00 H new ATOM 82 N LEU A 5 115.351 9.532 3.873 1.00 0.00 N ATOM 83 CA LEU A 5 115.475 8.211 4.481 1.00 0.00 C ATOM 84 C LEU A 5 115.034 8.249 5.941 1.00 0.00 C ATOM 85 O LEU A 5 114.496 7.272 6.461 1.00 0.00 O ATOM 86 CB LEU A 5 116.926 7.732 4.397 1.00 0.00 C ATOM 87 CG LEU A 5 117.031 6.318 4.967 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.179 5.363 4.128 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.491 5.861 4.932 1.00 0.00 C ATOM 0 H LEU A 5 116.144 9.812 3.296 1.00 0.00 H new ATOM 0 HA LEU A 5 114.832 7.520 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.264 7.744 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.576 8.408 4.952 1.00 0.00 H new ATOM 0 HG LEU A 5 116.673 6.315 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.255 4.355 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.139 5.687 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 5 116.536 5.366 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 5 118.566 4.852 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 5 118.849 5.865 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.099 6.540 5.530 1.00 0.00 H new ATOM 101 N SER A 6 115.265 9.383 6.594 1.00 0.00 N ATOM 102 CA SER A 6 114.871 9.542 7.989 1.00 0.00 C ATOM 103 C SER A 6 113.404 9.169 8.177 1.00 0.00 C ATOM 104 O SER A 6 113.017 8.641 9.221 1.00 0.00 O ATOM 105 CB SER A 6 115.091 10.989 8.431 1.00 0.00 C ATOM 106 OG SER A 6 114.222 11.842 7.697 1.00 0.00 O ATOM 0 H SER A 6 115.719 10.199 6.184 1.00 0.00 H new ATOM 0 HA SER A 6 115.484 8.878 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.899 11.088 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 116.129 11.278 8.265 1.00 0.00 H new ATOM 0 HG SER A 6 114.359 12.770 7.979 1.00 0.00 H new ATOM 112 N GLN A 7 112.593 9.444 7.161 1.00 0.00 N ATOM 113 CA GLN A 7 111.172 9.122 7.222 1.00 0.00 C ATOM 114 C GLN A 7 110.970 7.649 7.566 1.00 0.00 C ATOM 115 O GLN A 7 110.159 7.308 8.427 1.00 0.00 O ATOM 116 CB GLN A 7 110.510 9.429 5.878 1.00 0.00 C ATOM 117 CG GLN A 7 110.556 10.936 5.618 1.00 0.00 C ATOM 118 CD GLN A 7 109.723 11.671 6.661 1.00 0.00 C ATOM 119 OE1 GLN A 7 108.545 11.365 6.846 1.00 0.00 O ATOM 120 NE2 GLN A 7 110.266 12.630 7.360 1.00 0.00 N ATOM 0 H GLN A 7 112.892 9.886 6.292 1.00 0.00 H new ATOM 0 HA GLN A 7 110.714 9.731 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.023 8.895 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 7 109.477 9.081 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 7 111.587 11.288 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 7 110.177 11.153 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 7 111.242 12.883 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 7 109.714 13.126 8.060 1.00 0.00 H new ATOM 129 N HIS A 8 111.715 6.781 6.889 1.00 0.00 N ATOM 130 CA HIS A 8 111.622 5.348 7.142 1.00 0.00 C ATOM 131 C HIS A 8 111.847 5.050 8.621 1.00 0.00 C ATOM 132 O HIS A 8 111.069 4.327 9.243 1.00 0.00 O ATOM 133 CB HIS A 8 112.660 4.601 6.304 1.00 0.00 C ATOM 134 CG HIS A 8 112.537 3.123 6.553 1.00 0.00 C ATOM 135 ND1 HIS A 8 111.445 2.388 6.116 1.00 0.00 N ATOM 136 CD2 HIS A 8 113.358 2.229 7.194 1.00 0.00 C ATOM 137 CE1 HIS A 8 111.638 1.112 6.494 1.00 0.00 C ATOM 138 NE2 HIS A 8 112.789 0.959 7.155 1.00 0.00 N ATOM 0 H HIS A 8 112.385 7.042 6.166 1.00 0.00 H new ATOM 0 HA HIS A 8 110.623 5.013 6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 8 112.511 4.816 5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.663 4.941 6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 8 114.302 2.474 7.658 1.00 0.00 H new ATOM 0 HE1 HIS A 8 110.946 0.308 6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 8 113.169 0.097 7.547 1.00 0.00 H new ATOM 147 N GLU A 9 112.916 5.610 9.176 1.00 0.00 N ATOM 148 CA GLU A 9 113.218 5.421 10.590 1.00 0.00 C ATOM 149 C GLU A 9 111.974 5.660 11.440 1.00 0.00 C ATOM 150 O GLU A 9 111.774 5.006 12.464 1.00 0.00 O ATOM 151 CB GLU A 9 114.326 6.384 11.022 1.00 0.00 C ATOM 152 CG GLU A 9 114.690 6.122 12.483 1.00 0.00 C ATOM 153 CD GLU A 9 115.806 7.065 12.920 1.00 0.00 C ATOM 154 OE1 GLU A 9 116.088 7.998 12.186 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.364 6.840 13.982 1.00 0.00 O ATOM 0 H GLU A 9 113.584 6.194 8.673 1.00 0.00 H new ATOM 0 HA GLU A 9 113.553 4.394 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.203 6.253 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.995 7.415 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 9 113.814 6.264 13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 9 115.008 5.087 12.607 1.00 0.00 H new ATOM 162 N ARG A 10 111.140 6.602 11.009 1.00 0.00 N ATOM 163 CA ARG A 10 109.909 6.906 11.728 1.00 0.00 C ATOM 164 C ARG A 10 108.815 5.908 11.363 1.00 0.00 C ATOM 165 O ARG A 10 108.112 5.397 12.235 1.00 0.00 O ATOM 166 CB ARG A 10 109.444 8.324 11.390 1.00 0.00 C ATOM 167 CG ARG A 10 110.619 9.294 11.527 1.00 0.00 C ATOM 168 CD ARG A 10 110.093 10.728 11.589 1.00 0.00 C ATOM 169 NE ARG A 10 109.377 11.056 10.361 1.00 0.00 N ATOM 170 CZ ARG A 10 108.515 12.066 10.318 1.00 0.00 C ATOM 171 NH1 ARG A 10 107.887 12.341 9.207 1.00 0.00 N ATOM 172 NH2 ARG A 10 108.297 12.784 11.386 1.00 0.00 N ATOM 0 H ARG A 10 111.293 7.164 10.172 1.00 0.00 H new ATOM 0 HA ARG A 10 110.107 6.834 12.797 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.049 8.356 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.634 8.621 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 10 111.190 9.066 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.298 9.181 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 10 109.430 10.843 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 10 110.922 11.421 11.731 1.00 0.00 H new ATOM 0 HE ARG A 10 109.541 10.501 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 10 108.058 11.780 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 10 107.225 13.116 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 10 108.788 12.570 12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 10 107.635 13.559 11.353 1.00 0.00 H new ATOM 186 N TYR A 11 108.676 5.636 10.070 1.00 0.00 N ATOM 187 CA TYR A 11 107.678 4.682 9.604 1.00 0.00 C ATOM 188 C TYR A 11 107.813 3.356 10.347 1.00 0.00 C ATOM 189 O TYR A 11 106.819 2.765 10.766 1.00 0.00 O ATOM 190 CB TYR A 11 107.844 4.445 8.101 1.00 0.00 C ATOM 191 CG TYR A 11 106.797 3.464 7.627 1.00 0.00 C ATOM 192 CD1 TYR A 11 105.501 3.907 7.340 1.00 0.00 C ATOM 193 CD2 TYR A 11 107.125 2.112 7.474 1.00 0.00 C ATOM 194 CE1 TYR A 11 104.532 2.997 6.901 1.00 0.00 C ATOM 195 CE2 TYR A 11 106.156 1.202 7.035 1.00 0.00 C ATOM 196 CZ TYR A 11 104.859 1.644 6.748 1.00 0.00 C ATOM 197 OH TYR A 11 103.904 0.748 6.315 1.00 0.00 O ATOM 0 H TYR A 11 109.238 6.059 9.331 1.00 0.00 H new ATOM 0 HA TYR A 11 106.689 5.096 9.801 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.747 5.387 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.841 4.059 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 11 105.248 4.951 7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 11 108.126 1.771 7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 11 103.532 3.339 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 11 106.409 0.159 6.918 1.00 0.00 H new ATOM 0 HH TYR A 11 103.814 0.811 5.341 1.00 0.00 H new ATOM 207 N VAL A 12 109.050 2.898 10.507 1.00 0.00 N ATOM 208 CA VAL A 12 109.303 1.634 11.189 1.00 0.00 C ATOM 209 C VAL A 12 108.778 1.683 12.620 1.00 0.00 C ATOM 210 O VAL A 12 107.990 0.832 13.031 1.00 0.00 O ATOM 211 CB VAL A 12 110.804 1.340 11.203 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.113 0.314 12.295 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.226 0.779 9.844 1.00 0.00 C ATOM 0 H VAL A 12 109.887 3.379 10.177 1.00 0.00 H new ATOM 0 HA VAL A 12 108.783 0.841 10.651 1.00 0.00 H new ATOM 0 HB VAL A 12 111.352 2.261 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.183 0.104 12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.812 0.712 13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.565 -0.607 12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.296 0.569 9.853 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.677 -0.141 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.006 1.509 9.065 1.00 0.00 H new ATOM 223 N GLU A 13 109.222 2.684 13.374 1.00 0.00 N ATOM 224 CA GLU A 13 108.782 2.839 14.756 1.00 0.00 C ATOM 225 C GLU A 13 107.290 3.150 14.812 1.00 0.00 C ATOM 226 O GLU A 13 106.585 2.697 15.714 1.00 0.00 O ATOM 227 CB GLU A 13 109.566 3.967 15.430 1.00 0.00 C ATOM 228 CG GLU A 13 111.022 3.535 15.617 1.00 0.00 C ATOM 229 CD GLU A 13 111.820 4.662 16.264 1.00 0.00 C ATOM 230 OE1 GLU A 13 111.213 5.651 16.640 1.00 0.00 O ATOM 231 OE2 GLU A 13 113.027 4.519 16.375 1.00 0.00 O ATOM 0 H GLU A 13 109.881 3.394 13.055 1.00 0.00 H new ATOM 0 HA GLU A 13 108.966 1.903 15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.519 4.871 14.822 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.120 4.208 16.395 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.068 2.641 16.240 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.460 3.275 14.653 1.00 0.00 H new ATOM 238 N GLN A 14 106.815 3.925 13.843 1.00 0.00 N ATOM 239 CA GLN A 14 105.407 4.299 13.797 1.00 0.00 C ATOM 240 C GLN A 14 104.549 3.108 13.380 1.00 0.00 C ATOM 241 O GLN A 14 103.842 2.522 14.200 1.00 0.00 O ATOM 242 CB GLN A 14 105.202 5.449 12.809 1.00 0.00 C ATOM 243 CG GLN A 14 103.756 5.941 12.889 1.00 0.00 C ATOM 244 CD GLN A 14 103.483 6.534 14.267 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.345 7.198 14.840 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.326 6.330 14.836 1.00 0.00 N ATOM 0 H GLN A 14 107.380 4.304 13.083 1.00 0.00 H new ATOM 0 HA GLN A 14 105.104 4.620 14.794 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.888 6.265 13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.428 5.116 11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.575 6.691 12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.071 5.115 12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.613 5.779 14.358 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.135 6.722 15.758 1.00 0.00 H new ATOM 255 N LEU A 15 104.617 2.757 12.100 1.00 0.00 N ATOM 256 CA LEU A 15 103.846 1.632 11.585 1.00 0.00 C ATOM 257 C LEU A 15 103.730 0.534 12.638 1.00 0.00 C ATOM 258 O LEU A 15 102.647 0.001 12.877 1.00 0.00 O ATOM 259 CB LEU A 15 104.515 1.069 10.330 1.00 0.00 C ATOM 260 CG LEU A 15 103.449 0.494 9.397 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.622 -0.551 10.147 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.532 1.621 8.917 1.00 0.00 C ATOM 0 H LEU A 15 105.194 3.231 11.405 1.00 0.00 H new ATOM 0 HA LEU A 15 102.846 1.987 11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.074 1.854 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.231 0.294 10.603 1.00 0.00 H new ATOM 0 HG LEU A 15 103.932 0.026 8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.862 -0.960 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.275 -1.354 10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.139 -0.085 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.771 1.213 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.050 2.088 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.121 2.366 8.381 1.00 0.00 H new ATOM 274 N LYS A 16 104.854 0.202 13.265 1.00 0.00 N ATOM 275 CA LYS A 16 104.867 -0.828 14.296 1.00 0.00 C ATOM 276 C LYS A 16 103.999 -0.411 15.480 1.00 0.00 C ATOM 277 O LYS A 16 103.260 -1.224 16.036 1.00 0.00 O ATOM 278 CB LYS A 16 106.299 -1.074 14.774 1.00 0.00 C ATOM 279 CG LYS A 16 107.060 -1.874 13.714 1.00 0.00 C ATOM 280 CD LYS A 16 108.477 -2.165 14.213 1.00 0.00 C ATOM 281 CE LYS A 16 109.125 -3.224 13.321 1.00 0.00 C ATOM 282 NZ LYS A 16 109.532 -2.603 12.028 1.00 0.00 N ATOM 0 H LYS A 16 105.762 0.628 13.079 1.00 0.00 H new ATOM 0 HA LYS A 16 104.465 -1.747 13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.801 -0.124 14.958 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.290 -1.618 15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.538 -2.808 13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.100 -1.314 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.072 -1.252 14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.446 -2.513 15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 109.994 -3.653 13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 16 108.426 -4.040 13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 109.221 -3.206 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.092 -1.665 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 110.567 -2.504 12.001 1.00 0.00 H new ATOM 296 N GLN A 17 104.094 0.859 15.859 1.00 0.00 N ATOM 297 CA GLN A 17 103.276 1.384 16.946 1.00 0.00 C ATOM 298 C GLN A 17 101.802 1.379 16.557 1.00 0.00 C ATOM 299 O GLN A 17 100.973 0.776 17.239 1.00 0.00 O ATOM 300 CB GLN A 17 103.712 2.811 17.285 1.00 0.00 C ATOM 301 CG GLN A 17 104.917 2.767 18.227 1.00 0.00 C ATOM 302 CD GLN A 17 105.417 4.182 18.500 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.820 5.153 18.034 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.483 4.359 19.230 1.00 0.00 N ATOM 0 H GLN A 17 104.724 1.539 15.434 1.00 0.00 H new ATOM 0 HA GLN A 17 103.412 0.746 17.819 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.969 3.350 16.373 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.890 3.352 17.754 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.639 2.283 19.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.714 2.170 17.784 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.977 3.554 19.615 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.823 5.303 19.416 1.00 0.00 H new ATOM 313 N ALA A 18 101.482 2.056 15.459 1.00 0.00 N ATOM 314 CA ALA A 18 100.110 2.087 14.965 1.00 0.00 C ATOM 315 C ALA A 18 99.564 0.671 14.811 1.00 0.00 C ATOM 316 O ALA A 18 98.355 0.472 14.689 1.00 0.00 O ATOM 317 CB ALA A 18 100.057 2.806 13.617 1.00 0.00 C ATOM 0 H ALA A 18 102.148 2.587 14.898 1.00 0.00 H new ATOM 0 HA ALA A 18 99.495 2.624 15.687 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.029 2.825 13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.419 3.827 13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.685 2.279 12.899 1.00 0.00 H new ATOM 323 N LEU A 19 100.462 -0.309 14.819 1.00 0.00 N ATOM 324 CA LEU A 19 100.056 -1.704 14.697 1.00 0.00 C ATOM 325 C LEU A 19 99.721 -2.286 16.067 1.00 0.00 C ATOM 326 O LEU A 19 98.674 -2.909 16.247 1.00 0.00 O ATOM 327 CB LEU A 19 101.180 -2.520 14.056 1.00 0.00 C ATOM 328 CG LEU A 19 100.878 -2.727 12.571 1.00 0.00 C ATOM 329 CD1 LEU A 19 102.109 -3.309 11.875 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.703 -3.697 12.421 1.00 0.00 C ATOM 0 H LEU A 19 101.468 -0.165 14.908 1.00 0.00 H new ATOM 0 HA LEU A 19 99.168 -1.751 14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.132 -2.004 14.176 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.275 -3.484 14.556 1.00 0.00 H new ATOM 0 HG LEU A 19 100.622 -1.770 12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.893 -3.456 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.947 -2.620 11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.366 -4.266 12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.487 -3.846 11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.960 -4.653 12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.824 -3.284 12.917 1.00 0.00 H new ATOM 342 N LYS A 20 100.615 -2.078 17.028 1.00 0.00 N ATOM 343 CA LYS A 20 100.393 -2.571 18.383 1.00 0.00 C ATOM 344 C LYS A 20 98.962 -2.287 18.829 1.00 0.00 C ATOM 345 O LYS A 20 98.363 -3.075 19.562 1.00 0.00 O ATOM 346 CB LYS A 20 101.373 -1.902 19.348 1.00 0.00 C ATOM 347 CG LYS A 20 101.269 -2.565 20.723 1.00 0.00 C ATOM 348 CD LYS A 20 102.304 -1.950 21.666 1.00 0.00 C ATOM 349 CE LYS A 20 102.221 -2.635 23.032 1.00 0.00 C ATOM 350 NZ LYS A 20 100.834 -2.519 23.563 1.00 0.00 N ATOM 0 H LYS A 20 101.493 -1.576 16.896 1.00 0.00 H new ATOM 0 HA LYS A 20 100.556 -3.649 18.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.391 -1.988 18.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.152 -0.838 19.428 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.266 -2.430 21.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.435 -3.639 20.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.305 -2.065 21.250 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.124 -0.880 21.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.501 -3.685 22.942 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.926 -2.176 23.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.843 -2.666 24.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.459 -1.572 23.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.230 -3.238 23.116 1.00 0.00 H new ATOM 364 N THR A 21 98.421 -1.158 18.382 1.00 0.00 N ATOM 365 CA THR A 21 97.060 -0.779 18.746 1.00 0.00 C ATOM 366 C THR A 21 96.058 -1.787 18.192 1.00 0.00 C ATOM 367 O THR A 21 94.991 -1.997 18.770 1.00 0.00 O ATOM 368 CB THR A 21 96.742 0.614 18.199 1.00 0.00 C ATOM 369 OG1 THR A 21 95.573 1.114 18.833 1.00 0.00 O ATOM 370 CG2 THR A 21 96.511 0.531 16.690 1.00 0.00 C ATOM 0 H THR A 21 98.899 -0.495 17.772 1.00 0.00 H new ATOM 0 HA THR A 21 96.984 -0.768 19.833 1.00 0.00 H new ATOM 0 HB THR A 21 97.579 1.283 18.399 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.369 2.007 18.485 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.285 1.524 16.301 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.409 0.148 16.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.675 -0.138 16.486 1.00 0.00 H new ATOM 378 N ARG A 22 96.407 -2.406 17.070 1.00 0.00 N ATOM 379 CA ARG A 22 95.528 -3.387 16.444 1.00 0.00 C ATOM 380 C ARG A 22 95.592 -4.717 17.189 1.00 0.00 C ATOM 381 O ARG A 22 94.814 -5.631 16.916 1.00 0.00 O ATOM 382 CB ARG A 22 95.934 -3.597 14.984 1.00 0.00 C ATOM 383 CG ARG A 22 95.177 -2.608 14.096 1.00 0.00 C ATOM 384 CD ARG A 22 93.824 -3.205 13.703 1.00 0.00 C ATOM 385 NE ARG A 22 93.157 -2.346 12.732 1.00 0.00 N ATOM 386 CZ ARG A 22 92.354 -1.362 13.122 1.00 0.00 C ATOM 387 NH1 ARG A 22 91.768 -0.607 12.233 1.00 0.00 N ATOM 388 NH2 ARG A 22 92.152 -1.150 14.394 1.00 0.00 N ATOM 0 H ARG A 22 97.286 -2.248 16.578 1.00 0.00 H new ATOM 0 HA ARG A 22 94.506 -3.009 16.485 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.009 -3.455 14.870 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.713 -4.620 14.678 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.031 -1.666 14.625 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.761 -2.384 13.203 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.966 -4.200 13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.198 -3.320 14.588 1.00 0.00 H new ATOM 0 HE ARG A 22 93.310 -2.503 11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 22 91.927 -0.773 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 22 91.151 0.148 12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.611 -1.740 15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 22 91.536 -0.395 14.694 1.00 0.00 H new ATOM 402 N GLY A 23 96.525 -4.818 18.130 1.00 0.00 N ATOM 403 CA GLY A 23 96.677 -6.038 18.913 1.00 0.00 C ATOM 404 C GLY A 23 97.923 -6.807 18.490 1.00 0.00 C ATOM 405 O GLY A 23 98.015 -8.018 18.689 1.00 0.00 O ATOM 0 H GLY A 23 97.183 -4.075 18.368 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.741 -5.789 19.972 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.796 -6.668 18.786 1.00 0.00 H new ATOM 409 N VAL A 24 98.881 -6.094 17.905 1.00 0.00 N ATOM 410 CA VAL A 24 100.117 -6.721 17.453 1.00 0.00 C ATOM 411 C VAL A 24 101.250 -6.445 18.436 1.00 0.00 C ATOM 412 O VAL A 24 101.108 -5.628 19.347 1.00 0.00 O ATOM 413 CB VAL A 24 100.498 -6.188 16.071 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.573 -7.087 15.455 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.261 -6.184 15.169 1.00 0.00 C ATOM 0 H VAL A 24 98.826 -5.090 17.734 1.00 0.00 H new ATOM 0 HA VAL A 24 99.955 -7.797 17.396 1.00 0.00 H new ATOM 0 HB VAL A 24 100.884 -5.173 16.167 1.00 0.00 H new ATOM 0 HG11 VAL A 24 101.844 -6.707 14.470 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.454 -7.093 16.097 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.187 -8.102 15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.531 -5.804 14.183 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.877 -7.200 15.074 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.494 -5.545 15.606 1.00 0.00 H new ATOM 425 N LYS A 25 102.372 -7.131 18.247 1.00 0.00 N ATOM 426 CA LYS A 25 103.531 -6.932 19.110 1.00 0.00 C ATOM 427 C LYS A 25 104.690 -6.332 18.320 1.00 0.00 C ATOM 428 O LYS A 25 104.886 -6.651 17.148 1.00 0.00 O ATOM 429 CB LYS A 25 103.963 -8.267 19.719 1.00 0.00 C ATOM 430 CG LYS A 25 102.877 -8.770 20.672 1.00 0.00 C ATOM 431 CD LYS A 25 103.328 -10.084 21.312 1.00 0.00 C ATOM 432 CE LYS A 25 102.270 -10.553 22.314 1.00 0.00 C ATOM 433 NZ LYS A 25 101.109 -11.127 21.577 1.00 0.00 N ATOM 0 H LYS A 25 102.504 -7.824 17.510 1.00 0.00 H new ATOM 0 HA LYS A 25 103.254 -6.242 19.907 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.137 -8.999 18.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.904 -8.146 20.255 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.682 -8.025 21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 25 101.943 -8.919 20.130 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.478 -10.842 20.544 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.285 -9.946 21.815 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.694 -11.300 22.984 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.944 -9.717 22.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 100.444 -11.553 22.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 100.628 -10.373 21.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.444 -11.856 20.916 1.00 0.00 H new ATOM 447 N VAL A 26 105.455 -5.461 18.971 1.00 0.00 N ATOM 448 CA VAL A 26 106.586 -4.813 18.317 1.00 0.00 C ATOM 449 C VAL A 26 107.892 -5.187 19.010 1.00 0.00 C ATOM 450 O VAL A 26 108.342 -4.491 19.921 1.00 0.00 O ATOM 451 CB VAL A 26 106.406 -3.295 18.345 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.063 -2.927 17.710 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.433 -2.806 19.795 1.00 0.00 C ATOM 0 H VAL A 26 105.314 -5.189 19.944 1.00 0.00 H new ATOM 0 HA VAL A 26 106.627 -5.154 17.282 1.00 0.00 H new ATOM 0 HB VAL A 26 107.214 -2.824 17.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.935 -1.845 17.730 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.041 -3.276 16.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.255 -3.398 18.269 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.305 -1.724 19.816 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.625 -3.278 20.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.389 -3.067 20.249 1.00 0.00 H new ATOM 463 N LYS A 27 108.495 -6.286 18.572 1.00 0.00 N ATOM 464 CA LYS A 27 109.756 -6.736 19.151 1.00 0.00 C ATOM 465 C LYS A 27 110.901 -6.538 18.162 1.00 0.00 C ATOM 466 O LYS A 27 110.674 -6.316 16.973 1.00 0.00 O ATOM 467 CB LYS A 27 109.658 -8.214 19.533 1.00 0.00 C ATOM 468 CG LYS A 27 110.639 -8.515 20.668 1.00 0.00 C ATOM 469 CD LYS A 27 111.109 -9.968 20.565 1.00 0.00 C ATOM 470 CE LYS A 27 109.908 -10.905 20.706 1.00 0.00 C ATOM 471 NZ LYS A 27 110.388 -12.292 20.964 1.00 0.00 N ATOM 0 H LYS A 27 108.135 -6.878 17.824 1.00 0.00 H new ATOM 0 HA LYS A 27 109.956 -6.143 20.044 1.00 0.00 H new ATOM 0 HB2 LYS A 27 108.641 -8.453 19.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.882 -8.839 18.669 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.493 -7.841 20.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.160 -8.344 21.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.603 -10.134 19.608 1.00 0.00 H new ATOM 0 HD3 LYS A 27 111.842 -10.180 21.343 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.268 -10.572 21.523 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.305 -10.880 19.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 109.572 -12.930 21.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 110.982 -12.607 20.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.945 -12.309 21.842 1.00 0.00 H new ATOM 485 N TYR A 28 112.129 -6.622 18.662 1.00 0.00 N ATOM 486 CA TYR A 28 113.302 -6.466 17.810 1.00 0.00 C ATOM 487 C TYR A 28 113.275 -7.479 16.670 1.00 0.00 C ATOM 488 O TYR A 28 113.601 -7.152 15.528 1.00 0.00 O ATOM 489 CB TYR A 28 114.576 -6.658 18.635 1.00 0.00 C ATOM 490 CG TYR A 28 114.642 -5.603 19.713 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.319 -4.400 19.475 1.00 0.00 C ATOM 492 CD2 TYR A 28 114.025 -5.826 20.949 1.00 0.00 C ATOM 493 CE1 TYR A 28 115.380 -3.422 20.475 1.00 0.00 C ATOM 494 CE2 TYR A 28 114.086 -4.848 21.949 1.00 0.00 C ATOM 495 CZ TYR A 28 114.763 -3.646 21.711 1.00 0.00 C ATOM 496 OH TYR A 28 114.823 -2.681 22.697 1.00 0.00 O ATOM 0 H TYR A 28 112.337 -6.796 19.645 1.00 0.00 H new ATOM 0 HA TYR A 28 113.290 -5.461 17.388 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.586 -7.652 19.083 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.453 -6.590 17.991 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.794 -4.227 18.520 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.502 -6.753 21.132 1.00 0.00 H new ATOM 0 HE1 TYR A 28 115.903 -2.495 20.293 1.00 0.00 H new ATOM 0 HE2 TYR A 28 113.611 -5.021 22.903 1.00 0.00 H new ATOM 0 HH TYR A 28 114.343 -2.995 23.492 1.00 0.00 H new ATOM 506 N ALA A 29 112.884 -8.710 16.987 1.00 0.00 N ATOM 507 CA ALA A 29 112.806 -9.759 15.979 1.00 0.00 C ATOM 508 C ALA A 29 111.945 -9.309 14.802 1.00 0.00 C ATOM 509 O ALA A 29 112.045 -9.854 13.703 1.00 0.00 O ATOM 510 CB ALA A 29 112.212 -11.029 16.590 1.00 0.00 C ATOM 0 H ALA A 29 112.618 -9.003 17.927 1.00 0.00 H new ATOM 0 HA ALA A 29 113.814 -9.966 15.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.157 -11.808 15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 112.844 -11.368 17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.211 -10.818 16.966 1.00 0.00 H new ATOM 516 N ASP A 30 111.099 -8.311 15.042 1.00 0.00 N ATOM 517 CA ASP A 30 110.222 -7.800 13.996 1.00 0.00 C ATOM 518 C ASP A 30 111.019 -6.993 12.974 1.00 0.00 C ATOM 519 O ASP A 30 110.789 -7.100 11.770 1.00 0.00 O ATOM 520 CB ASP A 30 109.136 -6.915 14.611 1.00 0.00 C ATOM 521 CG ASP A 30 108.266 -7.738 15.555 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.356 -8.953 15.503 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.523 -7.140 16.315 1.00 0.00 O ATOM 0 H ASP A 30 111.003 -7.844 15.944 1.00 0.00 H new ATOM 0 HA ASP A 30 109.758 -8.648 13.491 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.593 -6.087 15.153 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.521 -6.479 13.824 1.00 0.00 H new ATOM 528 N LEU A 31 111.957 -6.190 13.464 1.00 0.00 N ATOM 529 CA LEU A 31 112.782 -5.371 12.584 1.00 0.00 C ATOM 530 C LEU A 31 113.640 -6.252 11.681 1.00 0.00 C ATOM 531 O LEU A 31 113.794 -5.973 10.491 1.00 0.00 O ATOM 532 CB LEU A 31 113.686 -4.458 13.416 1.00 0.00 C ATOM 533 CG LEU A 31 112.881 -3.254 13.909 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.309 -3.555 15.295 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.796 -2.030 13.990 1.00 0.00 C ATOM 0 H LEU A 31 112.164 -6.089 14.458 1.00 0.00 H new ATOM 0 HA LEU A 31 112.125 -4.763 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.094 -5.008 14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.532 -4.122 12.817 1.00 0.00 H new ATOM 0 HG LEU A 31 112.064 -3.054 13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.736 -2.697 15.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.658 -4.428 15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.125 -3.755 15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.224 -1.171 14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.612 -2.231 14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.204 -1.815 13.003 1.00 0.00 H new ATOM 547 N LEU A 32 114.194 -7.315 12.253 1.00 0.00 N ATOM 548 CA LEU A 32 115.061 -8.213 11.498 1.00 0.00 C ATOM 549 C LEU A 32 114.337 -8.744 10.265 1.00 0.00 C ATOM 550 O LEU A 32 114.834 -8.632 9.144 1.00 0.00 O ATOM 551 CB LEU A 32 115.497 -9.383 12.380 1.00 0.00 C ATOM 552 CG LEU A 32 116.020 -8.850 13.714 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.448 -10.020 14.600 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.222 -7.937 13.461 1.00 0.00 C ATOM 0 H LEU A 32 114.060 -7.575 13.230 1.00 0.00 H new ATOM 0 HA LEU A 32 115.940 -7.654 11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.657 -10.057 12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.273 -9.961 11.878 1.00 0.00 H new ATOM 0 HG LEU A 32 115.232 -8.286 14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.821 -9.639 15.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.593 -10.672 14.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.236 -10.585 14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.596 -7.556 14.411 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.009 -8.502 12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.918 -7.102 12.830 1.00 0.00 H new ATOM 566 N LYS A 33 113.160 -9.323 10.479 1.00 0.00 N ATOM 567 CA LYS A 33 112.402 -9.918 9.384 1.00 0.00 C ATOM 568 C LYS A 33 111.704 -8.837 8.566 1.00 0.00 C ATOM 569 O LYS A 33 111.800 -8.817 7.339 1.00 0.00 O ATOM 570 CB LYS A 33 111.361 -10.892 9.940 1.00 0.00 C ATOM 571 CG LYS A 33 110.691 -11.637 8.784 1.00 0.00 C ATOM 572 CD LYS A 33 109.725 -12.684 9.343 1.00 0.00 C ATOM 573 CE LYS A 33 109.080 -13.453 8.187 1.00 0.00 C ATOM 574 NZ LYS A 33 108.182 -14.509 8.733 1.00 0.00 N ATOM 0 H LYS A 33 112.713 -9.393 11.393 1.00 0.00 H new ATOM 0 HA LYS A 33 113.095 -10.456 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.836 -11.602 10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.613 -10.350 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.154 -10.934 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.445 -12.118 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.258 -13.372 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 33 108.956 -12.200 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.513 -12.771 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 33 109.850 -13.904 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.744 -15.032 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.735 -15.166 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.440 -14.068 9.313 1.00 0.00 H new ATOM 588 N PHE A 34 111.004 -7.941 9.254 1.00 0.00 N ATOM 589 CA PHE A 34 110.248 -6.894 8.575 1.00 0.00 C ATOM 590 C PHE A 34 111.176 -6.019 7.739 1.00 0.00 C ATOM 591 O PHE A 34 110.834 -5.623 6.625 1.00 0.00 O ATOM 592 CB PHE A 34 109.517 -6.028 9.603 1.00 0.00 C ATOM 593 CG PHE A 34 108.575 -5.087 8.891 1.00 0.00 C ATOM 594 CD1 PHE A 34 108.841 -3.713 8.875 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.438 -5.589 8.248 1.00 0.00 C ATOM 596 CE1 PHE A 34 107.968 -2.839 8.215 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.565 -4.716 7.588 1.00 0.00 C ATOM 598 CZ PHE A 34 106.830 -3.341 7.570 1.00 0.00 C ATOM 0 H PHE A 34 110.944 -7.918 10.272 1.00 0.00 H new ATOM 0 HA PHE A 34 109.521 -7.367 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 34 108.962 -6.659 10.297 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.236 -5.461 10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 109.719 -3.327 9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.234 -6.649 8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.172 -1.778 8.203 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.687 -5.103 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.157 -2.668 7.059 1.00 0.00 H new ATOM 608 N PHE A 35 112.351 -5.723 8.284 1.00 0.00 N ATOM 609 CA PHE A 35 113.300 -4.850 7.601 1.00 0.00 C ATOM 610 C PHE A 35 113.964 -5.586 6.442 1.00 0.00 C ATOM 611 O PHE A 35 114.055 -5.061 5.332 1.00 0.00 O ATOM 612 CB PHE A 35 114.370 -4.372 8.584 1.00 0.00 C ATOM 613 CG PHE A 35 115.065 -3.157 8.019 1.00 0.00 C ATOM 614 CD1 PHE A 35 115.997 -3.302 6.984 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.779 -1.885 8.530 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.643 -2.175 6.461 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.424 -0.759 8.006 1.00 0.00 C ATOM 618 CZ PHE A 35 116.356 -0.903 6.971 1.00 0.00 C ATOM 0 H PHE A 35 112.668 -6.071 9.189 1.00 0.00 H new ATOM 0 HA PHE A 35 112.758 -3.990 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.915 -4.130 9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.094 -5.167 8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.218 -4.283 6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.061 -1.773 9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.363 -2.287 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.203 0.222 8.400 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.853 -0.034 6.566 1.00 0.00 H new ATOM 628 N ASP A 36 114.427 -6.804 6.707 1.00 0.00 N ATOM 629 CA ASP A 36 115.079 -7.603 5.677 1.00 0.00 C ATOM 630 C ASP A 36 114.048 -8.181 4.712 1.00 0.00 C ATOM 631 O ASP A 36 114.381 -8.570 3.593 1.00 0.00 O ATOM 632 CB ASP A 36 115.871 -8.741 6.323 1.00 0.00 C ATOM 633 CG ASP A 36 117.037 -8.175 7.127 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.557 -8.893 7.964 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.391 -7.032 6.894 1.00 0.00 O ATOM 0 H ASP A 36 114.363 -7.256 7.619 1.00 0.00 H new ATOM 0 HA ASP A 36 115.758 -6.958 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.220 -9.325 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.243 -9.418 5.554 1.00 0.00 H new ATOM 640 N PHE A 37 112.796 -8.235 5.156 1.00 0.00 N ATOM 641 CA PHE A 37 111.726 -8.781 4.328 1.00 0.00 C ATOM 642 C PHE A 37 111.578 -7.974 3.042 1.00 0.00 C ATOM 643 O PHE A 37 111.580 -8.532 1.944 1.00 0.00 O ATOM 644 CB PHE A 37 110.407 -8.759 5.100 1.00 0.00 C ATOM 645 CG PHE A 37 109.253 -8.712 4.127 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.118 -9.710 3.155 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.320 -7.672 4.196 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.048 -9.667 2.251 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.252 -7.628 3.294 1.00 0.00 C ATOM 650 CZ PHE A 37 107.116 -8.626 2.321 1.00 0.00 C ATOM 0 H PHE A 37 112.499 -7.910 6.076 1.00 0.00 H new ATOM 0 HA PHE A 37 111.980 -9.809 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.328 -9.644 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.375 -7.893 5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 37 109.838 -10.513 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 37 108.424 -6.902 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 37 107.943 -10.437 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.532 -6.825 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.291 -8.592 1.624 1.00 0.00 H new ATOM 660 N VAL A 38 111.450 -6.659 3.185 1.00 0.00 N ATOM 661 CA VAL A 38 111.306 -5.784 2.028 1.00 0.00 C ATOM 662 C VAL A 38 112.657 -5.558 1.356 1.00 0.00 C ATOM 663 O VAL A 38 112.741 -5.440 0.133 1.00 0.00 O ATOM 664 CB VAL A 38 110.716 -4.441 2.458 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.190 -4.528 2.453 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.202 -4.101 3.869 1.00 0.00 C ATOM 0 H VAL A 38 111.443 -6.178 4.085 1.00 0.00 H new ATOM 0 HA VAL A 38 110.634 -6.263 1.316 1.00 0.00 H new ATOM 0 HB VAL A 38 111.037 -3.664 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.770 -3.570 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.843 -4.772 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.868 -5.304 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.782 -3.144 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 38 110.880 -4.878 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.290 -4.039 3.874 1.00 0.00 H new ATOM 676 N LYS A 39 113.711 -5.498 2.164 1.00 0.00 N ATOM 677 CA LYS A 39 115.054 -5.287 1.635 1.00 0.00 C ATOM 678 C LYS A 39 115.379 -6.325 0.567 1.00 0.00 C ATOM 679 O LYS A 39 116.046 -6.023 -0.423 1.00 0.00 O ATOM 680 CB LYS A 39 116.080 -5.378 2.767 1.00 0.00 C ATOM 681 CG LYS A 39 117.363 -4.655 2.352 1.00 0.00 C ATOM 682 CD LYS A 39 118.352 -4.658 3.520 1.00 0.00 C ATOM 683 CE LYS A 39 119.616 -3.895 3.121 1.00 0.00 C ATOM 684 NZ LYS A 39 120.532 -3.804 4.294 1.00 0.00 N ATOM 0 H LYS A 39 113.663 -5.592 3.179 1.00 0.00 H new ATOM 0 HA LYS A 39 115.096 -4.295 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.676 -4.931 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.295 -6.422 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.806 -5.146 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.136 -3.631 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.897 -4.196 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.604 -5.682 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.115 -4.402 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.356 -2.896 2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.392 -3.285 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.054 -3.302 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.790 -4.761 4.608 1.00 0.00 H new ATOM 698 N ASP A 40 114.904 -7.549 0.773 1.00 0.00 N ATOM 699 CA ASP A 40 115.162 -8.628 -0.173 1.00 0.00 C ATOM 700 C ASP A 40 115.079 -8.114 -1.607 1.00 0.00 C ATOM 701 O ASP A 40 116.052 -8.183 -2.359 1.00 0.00 O ATOM 702 CB ASP A 40 114.146 -9.753 0.028 1.00 0.00 C ATOM 703 CG ASP A 40 114.494 -10.936 -0.870 1.00 0.00 C ATOM 704 OD1 ASP A 40 115.380 -10.788 -1.694 1.00 0.00 O ATOM 705 OD2 ASP A 40 113.868 -11.972 -0.720 1.00 0.00 O ATOM 0 H ASP A 40 114.342 -7.817 1.581 1.00 0.00 H new ATOM 0 HA ASP A 40 116.167 -9.011 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.141 -10.067 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.143 -9.394 -0.202 1.00 0.00 H new ATOM 710 N THR A 41 113.912 -7.600 -1.980 1.00 0.00 N ATOM 711 CA THR A 41 113.711 -7.085 -3.329 1.00 0.00 C ATOM 712 C THR A 41 113.554 -5.567 -3.304 1.00 0.00 C ATOM 713 O THR A 41 113.493 -4.923 -4.352 1.00 0.00 O ATOM 714 CB THR A 41 112.465 -7.718 -3.950 1.00 0.00 C ATOM 715 OG1 THR A 41 111.457 -7.848 -2.958 1.00 0.00 O ATOM 716 CG2 THR A 41 112.817 -9.099 -4.507 1.00 0.00 C ATOM 0 H THR A 41 113.096 -7.529 -1.372 1.00 0.00 H new ATOM 0 HA THR A 41 114.585 -7.340 -3.929 1.00 0.00 H new ATOM 0 HB THR A 41 112.099 -7.085 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.657 -8.252 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.929 -9.550 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.590 -8.998 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.183 -9.734 -3.700 1.00 0.00 H new ATOM 724 N CYS A 42 113.489 -5.003 -2.103 1.00 0.00 N ATOM 725 CA CYS A 42 113.313 -3.563 -1.954 1.00 0.00 C ATOM 726 C CYS A 42 112.388 -3.021 -3.039 1.00 0.00 C ATOM 727 O CYS A 42 112.781 -2.171 -3.838 1.00 0.00 O ATOM 728 CB CYS A 42 114.669 -2.859 -2.039 1.00 0.00 C ATOM 729 SG CYS A 42 115.257 -2.888 -3.750 1.00 0.00 S ATOM 0 H CYS A 42 113.555 -5.517 -1.224 1.00 0.00 H new ATOM 0 HA CYS A 42 112.864 -3.370 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.579 -1.830 -1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 42 115.389 -3.354 -1.387 1.00 0.00 H new ATOM 0 HG CYS A 42 114.476 -3.642 -4.465 1.00 0.00 H new ATOM 735 N PRO A 43 111.175 -3.500 -3.078 1.00 0.00 N ATOM 736 CA PRO A 43 110.169 -3.077 -4.095 1.00 0.00 C ATOM 737 C PRO A 43 109.518 -1.743 -3.739 1.00 0.00 C ATOM 738 O PRO A 43 108.776 -1.172 -4.537 1.00 0.00 O ATOM 739 CB PRO A 43 109.140 -4.209 -4.080 1.00 0.00 C ATOM 740 CG PRO A 43 109.240 -4.821 -2.722 1.00 0.00 C ATOM 741 CD PRO A 43 110.629 -4.501 -2.148 1.00 0.00 C ATOM 0 HA PRO A 43 110.619 -2.918 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 43 108.136 -3.829 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 43 109.352 -4.943 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.460 -4.427 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.093 -5.899 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.561 -4.108 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.258 -5.390 -2.104 1.00 0.00 H new ATOM 749 N TRP A 44 109.803 -1.253 -2.538 1.00 0.00 N ATOM 750 CA TRP A 44 109.239 0.015 -2.087 1.00 0.00 C ATOM 751 C TRP A 44 109.883 1.181 -2.831 1.00 0.00 C ATOM 752 O TRP A 44 109.845 2.321 -2.369 1.00 0.00 O ATOM 753 CB TRP A 44 109.463 0.181 -0.583 1.00 0.00 C ATOM 754 CG TRP A 44 108.142 0.208 0.117 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.479 1.329 0.481 1.00 0.00 C ATOM 756 CD2 TRP A 44 107.314 -0.914 0.541 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.297 0.968 1.104 1.00 0.00 N ATOM 758 CE2 TRP A 44 106.151 -0.404 1.164 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.460 -2.310 0.448 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.165 -1.250 1.675 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.469 -3.163 0.961 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.325 -2.634 1.573 1.00 0.00 C ATOM 0 H TRP A 44 110.416 -1.710 -1.863 1.00 0.00 H new ATOM 0 HA TRP A 44 108.169 0.011 -2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 110.072 -0.639 -0.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 110.010 1.103 -0.385 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.817 2.341 0.313 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.618 1.633 1.473 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.339 -2.728 -0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.285 -0.837 2.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.590 -4.233 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.567 -3.296 1.966 1.00 0.00 H new ATOM 773 N PHE A 45 110.472 0.888 -3.986 1.00 0.00 N ATOM 774 CA PHE A 45 111.108 1.922 -4.792 1.00 0.00 C ATOM 775 C PHE A 45 112.162 2.665 -3.978 1.00 0.00 C ATOM 776 O PHE A 45 111.906 3.744 -3.444 1.00 0.00 O ATOM 777 CB PHE A 45 110.056 2.915 -5.292 1.00 0.00 C ATOM 778 CG PHE A 45 109.562 2.482 -6.652 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.369 1.123 -6.927 1.00 0.00 C ATOM 780 CD2 PHE A 45 109.299 3.440 -7.638 1.00 0.00 C ATOM 781 CE1 PHE A 45 108.911 0.722 -8.188 1.00 0.00 C ATOM 782 CE2 PHE A 45 108.840 3.039 -8.900 1.00 0.00 C ATOM 783 CZ PHE A 45 108.647 1.680 -9.173 1.00 0.00 C ATOM 0 H PHE A 45 110.522 -0.051 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 45 111.593 1.444 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 45 109.224 2.964 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 45 110.484 3.916 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 45 109.573 0.384 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 45 109.450 4.488 -7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 45 108.762 -0.326 -8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 45 108.635 3.778 -9.661 1.00 0.00 H new ATOM 0 HZ PHE A 45 108.294 1.370 -10.145 1.00 0.00 H new ATOM 793 N PRO A 46 113.336 2.104 -3.877 1.00 0.00 N ATOM 794 CA PRO A 46 114.447 2.691 -3.072 1.00 0.00 C ATOM 795 C PRO A 46 114.667 4.168 -3.388 1.00 0.00 C ATOM 796 O PRO A 46 115.191 4.917 -2.564 1.00 0.00 O ATOM 797 CB PRO A 46 115.666 1.858 -3.475 1.00 0.00 C ATOM 798 CG PRO A 46 115.117 0.558 -3.961 1.00 0.00 C ATOM 799 CD PRO A 46 113.732 0.843 -4.523 1.00 0.00 C ATOM 0 HA PRO A 46 114.239 2.659 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 116.242 2.357 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 46 116.337 1.709 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.763 0.129 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 46 115.062 -0.166 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.754 0.941 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 46 113.034 0.039 -4.290 1.00 0.00 H new ATOM 807 N GLN A 47 114.262 4.579 -4.585 1.00 0.00 N ATOM 808 CA GLN A 47 114.452 5.960 -5.013 1.00 0.00 C ATOM 809 C GLN A 47 113.317 6.840 -4.502 1.00 0.00 C ATOM 810 O GLN A 47 113.552 7.879 -3.886 1.00 0.00 O ATOM 811 CB GLN A 47 114.509 6.031 -6.540 1.00 0.00 C ATOM 812 CG GLN A 47 115.695 5.209 -7.047 1.00 0.00 C ATOM 813 CD GLN A 47 115.799 5.323 -8.563 1.00 0.00 C ATOM 814 OE1 GLN A 47 115.783 6.427 -9.107 1.00 0.00 O ATOM 815 NE2 GLN A 47 115.903 4.239 -9.284 1.00 0.00 N ATOM 0 H GLN A 47 113.803 3.980 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 47 115.392 6.323 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 47 113.581 5.651 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 47 114.607 7.067 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 47 116.617 5.561 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 47 115.573 4.164 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 47 115.916 3.325 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 47 115.971 4.307 -10.299 1.00 0.00 H new ATOM 824 N GLU A 48 112.084 6.418 -4.763 1.00 0.00 N ATOM 825 CA GLU A 48 110.918 7.191 -4.349 1.00 0.00 C ATOM 826 C GLU A 48 110.489 6.801 -2.938 1.00 0.00 C ATOM 827 O GLU A 48 109.673 7.482 -2.318 1.00 0.00 O ATOM 828 CB GLU A 48 109.761 6.951 -5.322 1.00 0.00 C ATOM 829 CG GLU A 48 109.489 8.229 -6.117 1.00 0.00 C ATOM 830 CD GLU A 48 110.741 8.644 -6.882 1.00 0.00 C ATOM 831 OE1 GLU A 48 110.774 9.765 -7.362 1.00 0.00 O ATOM 832 OE2 GLU A 48 111.648 7.833 -6.978 1.00 0.00 O ATOM 0 H GLU A 48 111.867 5.552 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 48 111.185 8.248 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 110.006 6.133 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 48 108.867 6.654 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 48 108.665 8.066 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.183 9.029 -5.442 1.00 0.00 H new ATOM 839 N GLY A 49 111.044 5.701 -2.439 1.00 0.00 N ATOM 840 CA GLY A 49 110.685 5.211 -1.114 1.00 0.00 C ATOM 841 C GLY A 49 109.188 5.366 -0.863 1.00 0.00 C ATOM 842 O GLY A 49 108.754 5.525 0.278 1.00 0.00 O ATOM 0 H GLY A 49 111.739 5.136 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.967 4.162 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.244 5.759 -0.355 1.00 0.00 H new ATOM 846 N THR A 50 108.406 5.320 -1.935 1.00 0.00 N ATOM 847 CA THR A 50 106.961 5.477 -1.822 1.00 0.00 C ATOM 848 C THR A 50 106.287 4.120 -1.642 1.00 0.00 C ATOM 849 O THR A 50 106.922 3.076 -1.794 1.00 0.00 O ATOM 850 CB THR A 50 106.409 6.162 -3.073 1.00 0.00 C ATOM 851 OG1 THR A 50 105.010 6.359 -2.925 1.00 0.00 O ATOM 852 CG2 THR A 50 106.675 5.284 -4.297 1.00 0.00 C ATOM 0 H THR A 50 108.745 5.176 -2.886 1.00 0.00 H new ATOM 0 HA THR A 50 106.749 6.094 -0.949 1.00 0.00 H new ATOM 0 HB THR A 50 106.900 7.126 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.655 6.799 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.281 5.773 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.749 5.133 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.185 4.319 -4.166 1.00 0.00 H new ATOM 860 N ILE A 51 104.998 4.142 -1.319 1.00 0.00 N ATOM 861 CA ILE A 51 104.239 2.908 -1.160 1.00 0.00 C ATOM 862 C ILE A 51 103.385 2.640 -2.395 1.00 0.00 C ATOM 863 O ILE A 51 102.818 3.562 -2.982 1.00 0.00 O ATOM 864 CB ILE A 51 103.338 3.005 0.073 1.00 0.00 C ATOM 865 CG1 ILE A 51 104.047 3.819 1.157 1.00 0.00 C ATOM 866 CG2 ILE A 51 103.046 1.599 0.603 1.00 0.00 C ATOM 867 CD1 ILE A 51 103.475 3.454 2.527 1.00 0.00 C ATOM 0 H ILE A 51 104.461 4.995 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 51 104.943 2.085 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 51 102.402 3.494 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 105.118 3.620 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.917 4.885 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.404 1.667 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.544 1.016 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.982 1.111 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.981 4.034 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 51 102.408 3.676 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 51 103.628 2.391 2.714 1.00 0.00 H new ATOM 879 N ASP A 52 103.298 1.373 -2.785 1.00 0.00 N ATOM 880 CA ASP A 52 102.525 0.997 -3.963 1.00 0.00 C ATOM 881 C ASP A 52 101.671 -0.233 -3.672 1.00 0.00 C ATOM 882 O ASP A 52 102.185 -1.277 -3.272 1.00 0.00 O ATOM 883 CB ASP A 52 103.464 0.704 -5.134 1.00 0.00 C ATOM 884 CG ASP A 52 102.655 0.326 -6.370 1.00 0.00 C ATOM 885 OD1 ASP A 52 101.452 0.175 -6.242 1.00 0.00 O ATOM 886 OD2 ASP A 52 103.251 0.193 -7.426 1.00 0.00 O ATOM 0 H ASP A 52 103.750 0.594 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 52 101.869 1.828 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.079 1.579 -5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.143 -0.107 -4.872 1.00 0.00 H new ATOM 891 N ILE A 53 100.364 -0.102 -3.878 1.00 0.00 N ATOM 892 CA ILE A 53 99.446 -1.207 -3.624 1.00 0.00 C ATOM 893 C ILE A 53 99.607 -2.291 -4.685 1.00 0.00 C ATOM 894 O ILE A 53 99.583 -3.483 -4.376 1.00 0.00 O ATOM 895 CB ILE A 53 98.003 -0.698 -3.627 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.891 0.514 -2.700 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.071 -1.805 -3.133 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.419 0.147 -1.312 1.00 0.00 C ATOM 0 H ILE A 53 99.920 0.751 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 53 99.679 -1.632 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 53 97.720 -0.410 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.459 1.350 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.852 0.838 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.043 -1.443 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.152 -2.670 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.352 -2.092 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.339 1.011 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.832 -0.676 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.463 -0.156 -1.388 1.00 0.00 H new ATOM 910 N LYS A 54 99.771 -1.871 -5.934 1.00 0.00 N ATOM 911 CA LYS A 54 99.904 -2.817 -7.037 1.00 0.00 C ATOM 912 C LYS A 54 101.142 -3.687 -6.849 1.00 0.00 C ATOM 913 O LYS A 54 101.044 -4.912 -6.765 1.00 0.00 O ATOM 914 CB LYS A 54 100.007 -2.061 -8.363 1.00 0.00 C ATOM 915 CG LYS A 54 98.699 -1.312 -8.628 1.00 0.00 C ATOM 916 CD LYS A 54 98.807 -0.547 -9.947 1.00 0.00 C ATOM 917 CE LYS A 54 97.494 0.191 -10.218 1.00 0.00 C ATOM 918 NZ LYS A 54 97.623 0.991 -11.469 1.00 0.00 N ATOM 0 H LYS A 54 99.815 -0.889 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 54 99.022 -3.457 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 54 100.840 -1.359 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.210 -2.758 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 97.867 -2.015 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 54 98.491 -0.621 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.633 0.163 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 54 99.024 -1.236 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 96.676 -0.523 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 54 97.252 0.844 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 96.731 1.493 -11.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 98.393 1.682 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 97.835 0.357 -12.266 1.00 0.00 H new ATOM 932 N ARG A 55 102.306 -3.049 -6.782 1.00 0.00 N ATOM 933 CA ARG A 55 103.558 -3.778 -6.625 1.00 0.00 C ATOM 934 C ARG A 55 103.575 -4.536 -5.303 1.00 0.00 C ATOM 935 O ARG A 55 104.189 -5.598 -5.192 1.00 0.00 O ATOM 936 CB ARG A 55 104.738 -2.805 -6.674 1.00 0.00 C ATOM 937 CG ARG A 55 104.898 -2.265 -8.096 1.00 0.00 C ATOM 938 CD ARG A 55 106.005 -1.211 -8.122 1.00 0.00 C ATOM 939 NE ARG A 55 106.129 -0.642 -9.458 1.00 0.00 N ATOM 940 CZ ARG A 55 106.870 -1.233 -10.391 1.00 0.00 C ATOM 941 NH1 ARG A 55 106.965 -0.704 -11.580 1.00 0.00 N ATOM 942 NH2 ARG A 55 107.500 -2.343 -10.118 1.00 0.00 N ATOM 0 H ARG A 55 102.408 -2.035 -6.834 1.00 0.00 H new ATOM 0 HA ARG A 55 103.644 -4.495 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.573 -1.982 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.652 -3.310 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.140 -3.079 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 55 103.959 -1.830 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 55 105.783 -0.423 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 55 106.952 -1.660 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 55 105.639 0.224 -9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 55 106.471 0.162 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 55 107.533 -1.157 -12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 55 107.424 -2.757 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 55 108.068 -2.796 -10.834 1.00 0.00 H new ATOM 956 N TRP A 56 102.898 -3.985 -4.301 1.00 0.00 N ATOM 957 CA TRP A 56 102.847 -4.615 -2.986 1.00 0.00 C ATOM 958 C TRP A 56 102.259 -6.019 -3.088 1.00 0.00 C ATOM 959 O TRP A 56 102.735 -6.950 -2.439 1.00 0.00 O ATOM 960 CB TRP A 56 101.997 -3.771 -2.036 1.00 0.00 C ATOM 961 CG TRP A 56 101.599 -4.599 -0.856 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.325 -4.839 -0.468 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.454 -5.298 0.095 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.344 -5.640 0.658 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.632 -5.951 1.044 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.849 -5.429 0.223 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.175 -6.705 2.085 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.398 -6.189 1.270 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.562 -6.825 2.198 1.00 0.00 C ATOM 0 H TRP A 56 102.380 -3.109 -4.373 1.00 0.00 H new ATOM 0 HA TRP A 56 103.863 -4.686 -2.597 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.559 -2.897 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.110 -3.404 -2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.438 -4.466 -0.958 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.508 -5.962 1.145 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.501 -4.943 -0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.527 -7.193 2.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.470 -6.283 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.990 -7.408 3.000 1.00 0.00 H new ATOM 980 N ARG A 57 101.222 -6.163 -3.908 1.00 0.00 N ATOM 981 CA ARG A 57 100.587 -7.461 -4.098 1.00 0.00 C ATOM 982 C ARG A 57 101.538 -8.426 -4.799 1.00 0.00 C ATOM 983 O ARG A 57 101.518 -9.630 -4.542 1.00 0.00 O ATOM 984 CB ARG A 57 99.313 -7.303 -4.931 1.00 0.00 C ATOM 985 CG ARG A 57 98.274 -6.516 -4.131 1.00 0.00 C ATOM 986 CD ARG A 57 97.020 -6.313 -4.982 1.00 0.00 C ATOM 987 NE ARG A 57 97.305 -5.413 -6.094 1.00 0.00 N ATOM 988 CZ ARG A 57 96.379 -5.132 -7.005 1.00 0.00 C ATOM 989 NH1 ARG A 57 96.657 -4.324 -7.992 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.191 -5.665 -6.914 1.00 0.00 N ATOM 0 H ARG A 57 100.807 -5.403 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 57 100.333 -7.866 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 99.538 -6.785 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 57 98.916 -8.283 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.022 -7.052 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.684 -5.551 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.671 -7.273 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 57 96.218 -5.902 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 57 98.231 -4.992 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 57 97.585 -3.908 -8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 57 95.946 -4.109 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 57 94.973 -6.297 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 57 94.480 -5.449 -7.613 1.00 0.00 H new ATOM 1004 N ARG A 58 102.371 -7.889 -5.684 1.00 0.00 N ATOM 1005 CA ARG A 58 103.334 -8.710 -6.409 1.00 0.00 C ATOM 1006 C ARG A 58 104.318 -9.361 -5.441 1.00 0.00 C ATOM 1007 O ARG A 58 104.504 -10.577 -5.454 1.00 0.00 O ATOM 1008 CB ARG A 58 104.099 -7.852 -7.419 1.00 0.00 C ATOM 1009 CG ARG A 58 105.038 -8.740 -8.237 1.00 0.00 C ATOM 1010 CD ARG A 58 105.780 -7.886 -9.267 1.00 0.00 C ATOM 1011 NE ARG A 58 106.583 -8.734 -10.140 1.00 0.00 N ATOM 1012 CZ ARG A 58 107.838 -9.043 -9.833 1.00 0.00 C ATOM 1013 NH1 ARG A 58 108.537 -9.803 -10.631 1.00 0.00 N ATOM 1014 NH2 ARG A 58 108.373 -8.586 -8.733 1.00 0.00 N ATOM 0 H ARG A 58 102.399 -6.896 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 58 102.790 -9.493 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 58 103.400 -7.339 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 58 104.670 -7.083 -6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 58 105.751 -9.236 -7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 58 104.470 -9.523 -8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 58 105.065 -7.315 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 58 106.420 -7.165 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 58 106.174 -9.096 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 58 108.120 -10.160 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 58 109.501 -10.040 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 58 107.827 -7.992 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 58 109.337 -8.823 -8.498 1.00 0.00 H new ATOM 1028 N VAL A 59 104.948 -8.540 -4.606 1.00 0.00 N ATOM 1029 CA VAL A 59 105.907 -9.048 -3.632 1.00 0.00 C ATOM 1030 C VAL A 59 105.214 -9.953 -2.618 1.00 0.00 C ATOM 1031 O VAL A 59 105.751 -10.990 -2.229 1.00 0.00 O ATOM 1032 CB VAL A 59 106.578 -7.882 -2.904 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.508 -6.918 -2.389 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.390 -8.420 -1.723 1.00 0.00 C ATOM 0 H VAL A 59 104.813 -7.529 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 59 106.662 -9.628 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 59 107.240 -7.356 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.986 -6.087 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 104.928 -6.536 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.846 -7.443 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.869 -7.590 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.727 -8.945 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.152 -9.108 -2.089 1.00 0.00 H new ATOM 1044 N GLY A 60 104.020 -9.553 -2.195 1.00 0.00 N ATOM 1045 CA GLY A 60 103.262 -10.337 -1.227 1.00 0.00 C ATOM 1046 C GLY A 60 102.954 -11.727 -1.773 1.00 0.00 C ATOM 1047 O GLY A 60 103.171 -12.732 -1.098 1.00 0.00 O ATOM 0 H GLY A 60 103.559 -8.697 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.829 -10.424 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.332 -9.823 -0.985 1.00 0.00 H new ATOM 1051 N ASP A 61 102.446 -11.775 -3.001 1.00 0.00 N ATOM 1052 CA ASP A 61 102.099 -13.047 -3.624 1.00 0.00 C ATOM 1053 C ASP A 61 103.359 -13.828 -3.983 1.00 0.00 C ATOM 1054 O ASP A 61 103.406 -15.050 -3.835 1.00 0.00 O ATOM 1055 CB ASP A 61 101.270 -12.802 -4.886 1.00 0.00 C ATOM 1056 CG ASP A 61 99.799 -12.641 -4.521 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.014 -12.364 -5.413 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.478 -12.798 -3.353 1.00 0.00 O ATOM 0 H ASP A 61 102.267 -10.955 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 61 101.513 -13.631 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.626 -11.908 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.392 -13.635 -5.579 1.00 0.00 H new ATOM 1063 N CYS A 62 104.376 -13.117 -4.457 1.00 0.00 N ATOM 1064 CA CYS A 62 105.624 -13.758 -4.855 1.00 0.00 C ATOM 1065 C CYS A 62 106.293 -14.419 -3.654 1.00 0.00 C ATOM 1066 O CYS A 62 106.877 -15.496 -3.773 1.00 0.00 O ATOM 1067 CB CYS A 62 106.571 -12.722 -5.464 1.00 0.00 C ATOM 1068 SG CYS A 62 105.919 -12.171 -7.060 1.00 0.00 S ATOM 0 H CYS A 62 104.362 -12.104 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 62 105.398 -14.524 -5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.679 -11.872 -4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.564 -13.153 -5.594 1.00 0.00 H new ATOM 0 HG CYS A 62 105.112 -11.169 -6.876 1.00 0.00 H new ATOM 1074 N PHE A 63 106.204 -13.768 -2.500 1.00 0.00 N ATOM 1075 CA PHE A 63 106.821 -14.293 -1.288 1.00 0.00 C ATOM 1076 C PHE A 63 105.918 -15.337 -0.637 1.00 0.00 C ATOM 1077 O PHE A 63 106.387 -16.381 -0.182 1.00 0.00 O ATOM 1078 CB PHE A 63 107.084 -13.156 -0.299 1.00 0.00 C ATOM 1079 CG PHE A 63 108.414 -12.514 -0.613 1.00 0.00 C ATOM 1080 CD1 PHE A 63 108.637 -11.948 -1.874 1.00 0.00 C ATOM 1081 CD2 PHE A 63 109.423 -12.483 0.357 1.00 0.00 C ATOM 1082 CE1 PHE A 63 109.870 -11.352 -2.165 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.655 -11.887 0.066 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.880 -11.322 -1.195 1.00 0.00 C ATOM 0 H PHE A 63 105.714 -12.882 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 63 107.766 -14.763 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.287 -12.415 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 63 107.085 -13.540 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 63 107.858 -11.971 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 63 109.250 -12.919 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 63 110.042 -10.915 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 63 111.433 -11.863 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.832 -10.863 -1.420 1.00 0.00 H new ATOM 1094 N GLN A 64 104.622 -15.048 -0.596 1.00 0.00 N ATOM 1095 CA GLN A 64 103.663 -15.968 0.005 1.00 0.00 C ATOM 1096 C GLN A 64 103.586 -17.263 -0.798 1.00 0.00 C ATOM 1097 O GLN A 64 103.438 -18.346 -0.234 1.00 0.00 O ATOM 1098 CB GLN A 64 102.279 -15.317 0.061 1.00 0.00 C ATOM 1099 CG GLN A 64 101.280 -16.292 0.687 1.00 0.00 C ATOM 1100 CD GLN A 64 99.920 -15.620 0.840 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.836 -14.392 0.885 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.846 -16.354 0.922 1.00 0.00 N ATOM 0 H GLN A 64 104.213 -14.191 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 64 103.996 -16.201 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 64 102.321 -14.398 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.954 -15.042 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 64 101.187 -17.181 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.643 -16.622 1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.919 -17.371 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.933 -15.912 1.024 1.00 0.00 H new ATOM 1111 N ASP A 65 103.688 -17.141 -2.118 1.00 0.00 N ATOM 1112 CA ASP A 65 103.619 -18.308 -2.990 1.00 0.00 C ATOM 1113 C ASP A 65 104.802 -19.237 -2.736 1.00 0.00 C ATOM 1114 O ASP A 65 104.625 -20.425 -2.465 1.00 0.00 O ATOM 1115 CB ASP A 65 103.620 -17.867 -4.454 1.00 0.00 C ATOM 1116 CG ASP A 65 103.749 -19.083 -5.365 1.00 0.00 C ATOM 1117 OD1 ASP A 65 102.956 -19.999 -5.214 1.00 0.00 O ATOM 1118 OD2 ASP A 65 104.638 -19.081 -6.201 1.00 0.00 O ATOM 0 H ASP A 65 103.818 -16.254 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 65 102.696 -18.846 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.700 -17.328 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.445 -17.178 -4.634 1.00 0.00 H new ATOM 1123 N TYR A 66 106.009 -18.687 -2.824 1.00 0.00 N ATOM 1124 CA TYR A 66 107.216 -19.478 -2.609 1.00 0.00 C ATOM 1125 C TYR A 66 107.335 -19.885 -1.144 1.00 0.00 C ATOM 1126 O TYR A 66 107.705 -21.017 -0.832 1.00 0.00 O ATOM 1127 CB TYR A 66 108.449 -18.671 -3.019 1.00 0.00 C ATOM 1128 CG TYR A 66 108.613 -18.728 -4.519 1.00 0.00 C ATOM 1129 CD1 TYR A 66 109.672 -19.452 -5.079 1.00 0.00 C ATOM 1130 CD2 TYR A 66 107.706 -18.058 -5.348 1.00 0.00 C ATOM 1131 CE1 TYR A 66 109.824 -19.505 -6.470 1.00 0.00 C ATOM 1132 CE2 TYR A 66 107.859 -18.111 -6.739 1.00 0.00 C ATOM 1133 CZ TYR A 66 108.917 -18.834 -7.300 1.00 0.00 C ATOM 1134 OH TYR A 66 109.067 -18.888 -8.671 1.00 0.00 O ATOM 0 H TYR A 66 106.177 -17.705 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 66 107.152 -20.378 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.344 -17.636 -2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 66 109.337 -19.071 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 66 110.371 -19.969 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 66 106.889 -17.500 -4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 66 110.641 -20.063 -6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 66 107.160 -17.593 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 66 108.353 -18.370 -9.099 1.00 0.00 H new ATOM 1144 N TYR A 67 107.020 -18.955 -0.248 1.00 0.00 N ATOM 1145 CA TYR A 67 107.103 -19.226 1.182 1.00 0.00 C ATOM 1146 C TYR A 67 106.145 -20.347 1.570 1.00 0.00 C ATOM 1147 O TYR A 67 106.517 -21.273 2.290 1.00 0.00 O ATOM 1148 CB TYR A 67 106.760 -17.962 1.973 1.00 0.00 C ATOM 1149 CG TYR A 67 106.761 -18.277 3.450 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.936 -18.716 4.071 1.00 0.00 C ATOM 1151 CD2 TYR A 67 105.586 -18.130 4.197 1.00 0.00 C ATOM 1152 CE1 TYR A 67 107.937 -19.008 5.440 1.00 0.00 C ATOM 1153 CE2 TYR A 67 105.587 -18.422 5.567 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.762 -18.861 6.188 1.00 0.00 C ATOM 1155 OH TYR A 67 106.763 -19.149 7.538 1.00 0.00 O ATOM 0 H TYR A 67 106.707 -18.014 -0.485 1.00 0.00 H new ATOM 0 HA TYR A 67 108.121 -19.536 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 67 107.485 -17.177 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.783 -17.585 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 67 108.842 -18.829 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 67 104.679 -17.792 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 67 108.844 -19.347 5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 67 104.681 -18.308 6.144 1.00 0.00 H new ATOM 0 HH TYR A 67 105.868 -18.993 7.906 1.00 0.00 H new ATOM 1165 N ASN A 68 104.909 -20.257 1.089 1.00 0.00 N ATOM 1166 CA ASN A 68 103.903 -21.267 1.399 1.00 0.00 C ATOM 1167 C ASN A 68 104.301 -22.617 0.814 1.00 0.00 C ATOM 1168 O ASN A 68 104.102 -23.659 1.440 1.00 0.00 O ATOM 1169 CB ASN A 68 102.546 -20.843 0.833 1.00 0.00 C ATOM 1170 CG ASN A 68 101.472 -21.839 1.254 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.787 -22.948 1.688 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.214 -21.509 1.152 1.00 0.00 N ATOM 0 H ASN A 68 104.581 -19.501 0.488 1.00 0.00 H new ATOM 0 HA ASN A 68 103.831 -21.361 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.289 -19.846 1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.597 -20.789 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.489 -22.170 1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.955 -20.590 0.792 1.00 0.00 H new ATOM 1179 N THR A 69 104.865 -22.592 -0.389 1.00 0.00 N ATOM 1180 CA THR A 69 105.277 -23.824 -1.053 1.00 0.00 C ATOM 1181 C THR A 69 106.375 -24.521 -0.258 1.00 0.00 C ATOM 1182 O THR A 69 106.457 -25.749 -0.240 1.00 0.00 O ATOM 1183 CB THR A 69 105.785 -23.511 -2.463 1.00 0.00 C ATOM 1184 OG1 THR A 69 106.796 -22.515 -2.390 1.00 0.00 O ATOM 1185 CG2 THR A 69 104.628 -23.003 -3.324 1.00 0.00 C ATOM 0 H THR A 69 105.046 -21.740 -0.920 1.00 0.00 H new ATOM 0 HA THR A 69 104.414 -24.487 -1.115 1.00 0.00 H new ATOM 0 HB THR A 69 106.197 -24.416 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.890 -22.212 -1.463 1.00 0.00 H new ATOM 0 HG21 THR A 69 104.991 -22.781 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 69 103.853 -23.767 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 69 104.214 -22.098 -2.879 1.00 0.00 H new ATOM 1193 N PHE A 70 107.216 -23.730 0.399 1.00 0.00 N ATOM 1194 CA PHE A 70 108.302 -24.283 1.200 1.00 0.00 C ATOM 1195 C PHE A 70 108.048 -24.046 2.685 1.00 0.00 C ATOM 1196 O PHE A 70 108.934 -24.246 3.517 1.00 0.00 O ATOM 1197 CB PHE A 70 109.629 -23.637 0.799 1.00 0.00 C ATOM 1198 CG PHE A 70 109.873 -23.862 -0.675 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.998 -22.767 -1.538 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.974 -25.164 -1.177 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.225 -22.975 -2.904 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.201 -25.373 -2.542 1.00 0.00 C ATOM 1203 CZ PHE A 70 110.326 -24.278 -3.406 1.00 0.00 C ATOM 0 H PHE A 70 107.168 -22.711 0.393 1.00 0.00 H new ATOM 0 HA PHE A 70 108.351 -25.357 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 70 109.606 -22.569 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 70 110.445 -24.064 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.919 -21.762 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 70 109.877 -26.008 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.322 -22.130 -3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.280 -26.378 -2.929 1.00 0.00 H new ATOM 0 HZ PHE A 70 110.500 -24.439 -4.460 1.00 0.00 H new ATOM 1213 N GLY A 71 106.832 -23.619 3.012 1.00 0.00 N ATOM 1214 CA GLY A 71 106.471 -23.362 4.400 1.00 0.00 C ATOM 1215 C GLY A 71 105.148 -24.034 4.753 1.00 0.00 C ATOM 1216 O GLY A 71 104.740 -25.001 4.110 1.00 0.00 O ATOM 0 H GLY A 71 106.085 -23.445 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 71 107.258 -23.731 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 106.393 -22.288 4.567 1.00 0.00 H new ATOM 1220 N PRO A 72 104.480 -23.536 5.757 1.00 0.00 N ATOM 1221 CA PRO A 72 103.169 -24.086 6.208 1.00 0.00 C ATOM 1222 C PRO A 72 102.013 -23.607 5.333 1.00 0.00 C ATOM 1223 O PRO A 72 102.123 -22.594 4.642 1.00 0.00 O ATOM 1224 CB PRO A 72 103.027 -23.560 7.637 1.00 0.00 C ATOM 1225 CG PRO A 72 103.834 -22.305 7.682 1.00 0.00 C ATOM 1226 CD PRO A 72 104.905 -22.390 6.574 1.00 0.00 C ATOM 0 HA PRO A 72 103.138 -25.174 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.983 -23.364 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.393 -24.288 8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.195 -21.435 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.304 -22.188 8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 72 104.945 -21.473 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.900 -22.544 6.991 1.00 0.00 H new ATOM 1234 N GLU A 73 100.906 -24.342 5.369 1.00 0.00 N ATOM 1235 CA GLU A 73 99.734 -23.979 4.582 1.00 0.00 C ATOM 1236 C GLU A 73 98.934 -22.887 5.285 1.00 0.00 C ATOM 1237 O GLU A 73 98.223 -22.113 4.644 1.00 0.00 O ATOM 1238 CB GLU A 73 98.848 -25.207 4.367 1.00 0.00 C ATOM 1239 CG GLU A 73 97.659 -24.830 3.481 1.00 0.00 C ATOM 1240 CD GLU A 73 96.866 -26.080 3.112 1.00 0.00 C ATOM 1241 OE1 GLU A 73 96.021 -25.986 2.238 1.00 0.00 O ATOM 1242 OE2 GLU A 73 97.118 -27.114 3.709 1.00 0.00 O ATOM 0 H GLU A 73 100.796 -25.186 5.931 1.00 0.00 H new ATOM 0 HA GLU A 73 100.070 -23.602 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 73 99.424 -26.007 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 73 98.495 -25.586 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 73 97.016 -24.122 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 73 98.012 -24.333 2.577 1.00 0.00 H new ATOM 1249 N LYS A 74 99.053 -22.832 6.607 1.00 0.00 N ATOM 1250 CA LYS A 74 98.343 -21.825 7.387 1.00 0.00 C ATOM 1251 C LYS A 74 98.800 -20.424 6.995 1.00 0.00 C ATOM 1252 O LYS A 74 97.981 -19.531 6.776 1.00 0.00 O ATOM 1253 CB LYS A 74 98.595 -22.047 8.880 1.00 0.00 C ATOM 1254 CG LYS A 74 97.990 -23.387 9.305 1.00 0.00 C ATOM 1255 CD LYS A 74 98.990 -24.143 10.183 1.00 0.00 C ATOM 1256 CE LYS A 74 99.128 -23.430 11.530 1.00 0.00 C ATOM 1257 NZ LYS A 74 99.985 -24.246 12.438 1.00 0.00 N ATOM 0 H LYS A 74 99.630 -23.468 7.158 1.00 0.00 H new ATOM 0 HA LYS A 74 97.277 -21.918 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 74 99.666 -22.038 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 74 98.153 -21.236 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 74 97.062 -23.222 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 74 97.740 -23.981 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.654 -25.169 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.959 -24.196 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 74 99.567 -22.443 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.145 -23.280 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.079 -23.762 13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 99.548 -25.179 12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.926 -24.367 12.012 1.00 0.00 H new ATOM 1271 N VAL A 75 100.114 -20.237 6.910 1.00 0.00 N ATOM 1272 CA VAL A 75 100.668 -18.939 6.541 1.00 0.00 C ATOM 1273 C VAL A 75 100.223 -17.867 7.531 1.00 0.00 C ATOM 1274 O VAL A 75 99.041 -17.758 7.854 1.00 0.00 O ATOM 1275 CB VAL A 75 100.213 -18.558 5.133 1.00 0.00 C ATOM 1276 CG1 VAL A 75 100.926 -17.277 4.695 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.559 -19.691 4.162 1.00 0.00 C ATOM 0 H VAL A 75 100.809 -20.961 7.090 1.00 0.00 H new ATOM 0 HA VAL A 75 101.756 -19.009 6.563 1.00 0.00 H new ATOM 0 HB VAL A 75 99.136 -18.393 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 100.601 -17.005 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 100.682 -16.470 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 75 102.003 -17.442 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 75 100.235 -19.421 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.637 -19.855 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.052 -20.604 4.473 1.00 0.00 H new ATOM 1287 N PRO A 76 101.149 -17.081 8.009 1.00 0.00 N ATOM 1288 CA PRO A 76 100.854 -15.965 8.953 1.00 0.00 C ATOM 1289 C PRO A 76 99.723 -15.072 8.451 1.00 0.00 C ATOM 1290 O PRO A 76 99.792 -14.526 7.349 1.00 0.00 O ATOM 1291 CB PRO A 76 102.172 -15.192 9.024 1.00 0.00 C ATOM 1292 CG PRO A 76 103.230 -16.171 8.637 1.00 0.00 C ATOM 1293 CD PRO A 76 102.583 -17.173 7.697 1.00 0.00 C ATOM 0 HA PRO A 76 100.516 -16.328 9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.162 -14.337 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.345 -14.803 10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.063 -15.666 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.633 -16.672 9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 76 102.781 -16.927 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 76 102.964 -18.181 7.864 1.00 0.00 H new ATOM 1301 N VAL A 77 98.684 -14.927 9.267 1.00 0.00 N ATOM 1302 CA VAL A 77 97.535 -14.113 8.887 1.00 0.00 C ATOM 1303 C VAL A 77 97.807 -12.639 9.169 1.00 0.00 C ATOM 1304 O VAL A 77 97.219 -11.757 8.541 1.00 0.00 O ATOM 1305 CB VAL A 77 96.296 -14.562 9.663 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.100 -13.698 9.261 1.00 0.00 C ATOM 1307 CG2 VAL A 77 95.998 -16.028 9.339 1.00 0.00 C ATOM 0 H VAL A 77 98.614 -15.359 10.188 1.00 0.00 H new ATOM 0 HA VAL A 77 97.360 -14.242 7.819 1.00 0.00 H new ATOM 0 HB VAL A 77 96.477 -14.454 10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.217 -14.018 9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.312 -12.654 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 77 94.917 -13.805 8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.115 -16.350 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 77 95.816 -16.135 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 77 96.850 -16.644 9.625 1.00 0.00 H new ATOM 1317 N THR A 78 98.701 -12.377 10.117 1.00 0.00 N ATOM 1318 CA THR A 78 99.042 -11.005 10.475 1.00 0.00 C ATOM 1319 C THR A 78 99.321 -10.178 9.225 1.00 0.00 C ATOM 1320 O THR A 78 99.135 -8.961 9.220 1.00 0.00 O ATOM 1321 CB THR A 78 100.274 -10.992 11.383 1.00 0.00 C ATOM 1322 OG1 THR A 78 101.434 -11.258 10.607 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.125 -12.064 12.464 1.00 0.00 C ATOM 0 H THR A 78 99.199 -13.091 10.648 1.00 0.00 H new ATOM 0 HA THR A 78 98.196 -10.568 11.005 1.00 0.00 H new ATOM 0 HB THR A 78 100.368 -10.014 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.224 -11.248 11.186 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.003 -12.054 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 78 99.235 -11.860 13.059 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.031 -13.043 11.995 1.00 0.00 H new ATOM 1331 N ALA A 79 99.766 -10.848 8.166 1.00 0.00 N ATOM 1332 CA ALA A 79 100.066 -10.163 6.913 1.00 0.00 C ATOM 1333 C ALA A 79 98.829 -9.444 6.385 1.00 0.00 C ATOM 1334 O ALA A 79 98.935 -8.492 5.614 1.00 0.00 O ATOM 1335 CB ALA A 79 100.557 -11.171 5.872 1.00 0.00 C ATOM 0 H ALA A 79 99.926 -11.855 8.150 1.00 0.00 H new ATOM 0 HA ALA A 79 100.847 -9.426 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.779 -10.652 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.459 -11.662 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.783 -11.918 5.696 1.00 0.00 H new ATOM 1341 N PHE A 80 97.657 -9.909 6.806 1.00 0.00 N ATOM 1342 CA PHE A 80 96.404 -9.313 6.355 1.00 0.00 C ATOM 1343 C PHE A 80 96.220 -7.928 6.964 1.00 0.00 C ATOM 1344 O PHE A 80 95.672 -7.027 6.328 1.00 0.00 O ATOM 1345 CB PHE A 80 95.229 -10.208 6.751 1.00 0.00 C ATOM 1346 CG PHE A 80 94.016 -9.838 5.931 1.00 0.00 C ATOM 1347 CD1 PHE A 80 92.948 -9.156 6.528 1.00 0.00 C ATOM 1348 CD2 PHE A 80 93.958 -10.176 4.574 1.00 0.00 C ATOM 1349 CE1 PHE A 80 91.824 -8.813 5.768 1.00 0.00 C ATOM 1350 CE2 PHE A 80 92.834 -9.834 3.814 1.00 0.00 C ATOM 1351 CZ PHE A 80 91.766 -9.152 4.411 1.00 0.00 C ATOM 0 H PHE A 80 97.548 -10.690 7.453 1.00 0.00 H new ATOM 0 HA PHE A 80 96.438 -9.218 5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.485 -11.255 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 80 95.012 -10.093 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 80 92.992 -8.895 7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 80 94.781 -10.701 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 80 91.001 -8.287 6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 80 92.790 -10.096 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 80 90.898 -8.888 3.825 1.00 0.00 H new ATOM 1361 N SER A 81 96.681 -7.764 8.200 1.00 0.00 N ATOM 1362 CA SER A 81 96.546 -6.487 8.892 1.00 0.00 C ATOM 1363 C SER A 81 97.458 -5.439 8.264 1.00 0.00 C ATOM 1364 O SER A 81 97.071 -4.282 8.103 1.00 0.00 O ATOM 1365 CB SER A 81 96.900 -6.655 10.370 1.00 0.00 C ATOM 1366 OG SER A 81 96.065 -7.654 10.942 1.00 0.00 O ATOM 0 H SER A 81 97.148 -8.493 8.739 1.00 0.00 H new ATOM 0 HA SER A 81 95.512 -6.153 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.948 -6.936 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.769 -5.710 10.897 1.00 0.00 H new ATOM 0 HG SER A 81 96.290 -7.766 11.889 1.00 0.00 H new ATOM 1372 N TYR A 82 98.672 -5.851 7.913 1.00 0.00 N ATOM 1373 CA TYR A 82 99.636 -4.935 7.315 1.00 0.00 C ATOM 1374 C TYR A 82 99.075 -4.328 6.033 1.00 0.00 C ATOM 1375 O TYR A 82 99.100 -3.110 5.850 1.00 0.00 O ATOM 1376 CB TYR A 82 100.938 -5.677 7.002 1.00 0.00 C ATOM 1377 CG TYR A 82 101.945 -5.407 8.094 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.020 -6.259 9.204 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.805 -4.307 7.997 1.00 0.00 C ATOM 1380 CE1 TYR A 82 102.955 -6.009 10.215 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.739 -4.057 9.009 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.814 -4.908 10.119 1.00 0.00 C ATOM 1383 OH TYR A 82 104.735 -4.662 11.116 1.00 0.00 O ATOM 0 H TYR A 82 99.010 -6.806 8.031 1.00 0.00 H new ATOM 0 HA TYR A 82 99.836 -4.134 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.749 -6.748 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.333 -5.351 6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 82 101.357 -7.108 9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.748 -3.651 7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.014 -6.666 11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.402 -3.208 8.934 1.00 0.00 H new ATOM 0 HH TYR A 82 105.252 -3.860 10.893 1.00 0.00 H new ATOM 1393 N TRP A 83 98.568 -5.182 5.151 1.00 0.00 N ATOM 1394 CA TRP A 83 98.016 -4.719 3.884 1.00 0.00 C ATOM 1395 C TRP A 83 96.862 -3.750 4.125 1.00 0.00 C ATOM 1396 O TRP A 83 96.743 -2.731 3.445 1.00 0.00 O ATOM 1397 CB TRP A 83 97.519 -5.911 3.063 1.00 0.00 C ATOM 1398 CG TRP A 83 96.580 -5.431 2.005 1.00 0.00 C ATOM 1399 CD1 TRP A 83 96.922 -4.639 0.963 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.154 -5.696 1.866 1.00 0.00 C ATOM 1401 NE1 TRP A 83 95.797 -4.402 0.194 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.682 -5.032 0.710 1.00 0.00 C ATOM 1403 CE3 TRP A 83 94.233 -6.443 2.624 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 93.344 -5.105 0.319 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 92.887 -6.518 2.233 1.00 0.00 C ATOM 1406 CH2 TRP A 83 92.443 -5.850 1.083 1.00 0.00 C ATOM 0 H TRP A 83 98.528 -6.192 5.289 1.00 0.00 H new ATOM 0 HA TRP A 83 98.803 -4.202 3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 83 98.363 -6.429 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 83 97.017 -6.629 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 83 97.912 -4.255 0.764 1.00 0.00 H new ATOM 0 HE1 TRP A 83 95.792 -3.831 -0.651 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.564 -6.962 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.008 -4.589 -0.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 92.189 -7.094 2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 83 91.406 -5.911 0.788 1.00 0.00 H new ATOM 1417 N ASN A 84 96.016 -4.075 5.097 1.00 0.00 N ATOM 1418 CA ASN A 84 94.862 -3.237 5.404 1.00 0.00 C ATOM 1419 C ASN A 84 95.313 -1.882 5.940 1.00 0.00 C ATOM 1420 O ASN A 84 94.770 -0.844 5.563 1.00 0.00 O ATOM 1421 CB ASN A 84 93.976 -3.928 6.440 1.00 0.00 C ATOM 1422 CG ASN A 84 93.181 -5.051 5.781 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.833 -4.957 4.604 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.872 -6.113 6.474 1.00 0.00 N ATOM 0 H ASN A 84 96.106 -4.906 5.682 1.00 0.00 H new ATOM 0 HA ASN A 84 94.294 -3.082 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.590 -4.330 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.295 -3.205 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.341 -6.868 6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 84 93.162 -6.188 7.449 1.00 0.00 H new ATOM 1431 N LEU A 85 96.308 -1.900 6.819 1.00 0.00 N ATOM 1432 CA LEU A 85 96.792 -0.670 7.436 1.00 0.00 C ATOM 1433 C LEU A 85 97.547 0.179 6.418 1.00 0.00 C ATOM 1434 O LEU A 85 97.385 1.399 6.371 1.00 0.00 O ATOM 1435 CB LEU A 85 97.715 -1.002 8.610 1.00 0.00 C ATOM 1436 CG LEU A 85 98.285 0.291 9.193 1.00 0.00 C ATOM 1437 CD1 LEU A 85 97.139 1.194 9.653 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.181 -0.041 10.389 1.00 0.00 C ATOM 0 H LEU A 85 96.793 -2.746 7.119 1.00 0.00 H new ATOM 0 HA LEU A 85 95.933 -0.105 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.164 -1.547 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.525 -1.651 8.277 1.00 0.00 H new ATOM 0 HG LEU A 85 98.869 0.805 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.546 2.116 10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.499 1.431 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.554 0.680 10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.588 0.880 10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.595 -0.556 11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.999 -0.684 10.064 1.00 0.00 H new ATOM 1450 N ILE A 86 98.371 -0.475 5.605 1.00 0.00 N ATOM 1451 CA ILE A 86 99.130 0.229 4.578 1.00 0.00 C ATOM 1452 C ILE A 86 98.203 0.729 3.474 1.00 0.00 C ATOM 1453 O ILE A 86 98.427 1.793 2.897 1.00 0.00 O ATOM 1454 CB ILE A 86 100.183 -0.704 3.976 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.566 -0.317 4.506 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.168 -0.577 2.452 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.508 -1.518 4.402 1.00 0.00 C ATOM 0 H ILE A 86 98.529 -1.482 5.637 1.00 0.00 H new ATOM 0 HA ILE A 86 99.622 1.085 5.040 1.00 0.00 H new ATOM 0 HB ILE A 86 99.959 -1.733 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.964 0.521 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.491 0.011 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.918 -1.242 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.183 -0.850 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.392 0.452 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.493 -1.242 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 86 102.111 -2.344 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.592 -1.825 3.360 1.00 0.00 H new ATOM 1469 N LYS A 87 97.161 -0.044 3.187 1.00 0.00 N ATOM 1470 CA LYS A 87 96.200 0.336 2.158 1.00 0.00 C ATOM 1471 C LYS A 87 95.579 1.691 2.479 1.00 0.00 C ATOM 1472 O LYS A 87 95.340 2.502 1.585 1.00 0.00 O ATOM 1473 CB LYS A 87 95.099 -0.721 2.055 1.00 0.00 C ATOM 1474 CG LYS A 87 93.808 -0.068 1.561 1.00 0.00 C ATOM 1475 CD LYS A 87 92.809 -1.153 1.153 1.00 0.00 C ATOM 1476 CE LYS A 87 91.529 -0.498 0.631 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.568 -1.556 0.206 1.00 0.00 N ATOM 0 H LYS A 87 96.961 -0.931 3.649 1.00 0.00 H new ATOM 0 HA LYS A 87 96.725 0.407 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.403 -1.513 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.935 -1.186 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.381 0.557 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 87 94.019 0.584 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.243 -1.791 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.581 -1.792 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 87 91.083 0.123 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.759 0.158 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.697 -1.112 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.996 -2.131 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.340 -2.164 1.018 1.00 0.00 H new ATOM 1491 N GLU A 88 95.320 1.928 3.761 1.00 0.00 N ATOM 1492 CA GLU A 88 94.697 3.177 4.185 1.00 0.00 C ATOM 1493 C GLU A 88 95.754 4.250 4.425 1.00 0.00 C ATOM 1494 O GLU A 88 95.462 5.444 4.377 1.00 0.00 O ATOM 1495 CB GLU A 88 93.896 2.949 5.470 1.00 0.00 C ATOM 1496 CG GLU A 88 94.811 2.360 6.544 1.00 0.00 C ATOM 1497 CD GLU A 88 94.069 2.281 7.874 1.00 0.00 C ATOM 1498 OE1 GLU A 88 93.205 3.112 8.098 1.00 0.00 O ATOM 1499 OE2 GLU A 88 94.377 1.390 8.649 1.00 0.00 O ATOM 0 H GLU A 88 95.530 1.278 4.519 1.00 0.00 H new ATOM 0 HA GLU A 88 94.028 3.515 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 88 93.469 3.890 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.063 2.273 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 88 95.145 1.366 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.703 2.977 6.652 1.00 0.00 H new ATOM 1506 N LEU A 89 96.983 3.815 4.683 1.00 0.00 N ATOM 1507 CA LEU A 89 98.069 4.747 4.963 1.00 0.00 C ATOM 1508 C LEU A 89 98.269 5.703 3.791 1.00 0.00 C ATOM 1509 O LEU A 89 98.408 6.911 3.981 1.00 0.00 O ATOM 1510 CB LEU A 89 99.366 3.976 5.221 1.00 0.00 C ATOM 1511 CG LEU A 89 100.247 4.768 6.188 1.00 0.00 C ATOM 1512 CD1 LEU A 89 100.451 6.185 5.650 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.564 4.837 7.556 1.00 0.00 C ATOM 0 H LEU A 89 97.251 2.831 4.704 1.00 0.00 H new ATOM 0 HA LEU A 89 97.807 5.325 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 89 99.141 2.994 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.896 3.810 4.283 1.00 0.00 H new ATOM 0 HG LEU A 89 101.214 4.275 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 89 101.079 6.749 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 89 100.935 6.138 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.485 6.680 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 89 100.190 5.401 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.598 5.331 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 89 99.417 3.828 7.941 1.00 0.00 H new ATOM 1525 N ILE A 90 98.282 5.154 2.581 1.00 0.00 N ATOM 1526 CA ILE A 90 98.483 5.966 1.386 1.00 0.00 C ATOM 1527 C ILE A 90 97.359 6.987 1.237 1.00 0.00 C ATOM 1528 O ILE A 90 97.603 8.150 0.914 1.00 0.00 O ATOM 1529 CB ILE A 90 98.529 5.071 0.148 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.773 4.180 0.210 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.590 5.941 -1.110 1.00 0.00 C ATOM 1532 CD1 ILE A 90 100.008 3.535 -1.157 1.00 0.00 C ATOM 0 H ILE A 90 98.157 4.158 2.402 1.00 0.00 H new ATOM 0 HA ILE A 90 99.430 6.497 1.485 1.00 0.00 H new ATOM 0 HB ILE A 90 97.635 4.449 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.642 4.771 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.644 3.409 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.623 5.302 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.706 6.578 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.484 6.563 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.893 2.901 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.142 2.931 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.156 4.313 -1.906 1.00 0.00 H new ATOM 1544 N ASP A 91 96.129 6.544 1.474 1.00 0.00 N ATOM 1545 CA ASP A 91 94.975 7.429 1.364 1.00 0.00 C ATOM 1546 C ASP A 91 95.094 8.590 2.345 1.00 0.00 C ATOM 1547 O ASP A 91 94.682 9.712 2.048 1.00 0.00 O ATOM 1548 CB ASP A 91 93.690 6.649 1.646 1.00 0.00 C ATOM 1549 CG ASP A 91 93.248 5.900 0.393 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.284 5.157 0.480 1.00 0.00 O ATOM 1551 OD2 ASP A 91 93.879 6.082 -0.635 1.00 0.00 O ATOM 0 H ASP A 91 95.906 5.585 1.741 1.00 0.00 H new ATOM 0 HA ASP A 91 94.942 7.828 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.854 5.945 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.904 7.332 1.968 1.00 0.00 H new ATOM 1556 N LYS A 92 95.658 8.313 3.516 1.00 0.00 N ATOM 1557 CA LYS A 92 95.815 9.340 4.539 1.00 0.00 C ATOM 1558 C LYS A 92 96.809 10.403 4.084 1.00 0.00 C ATOM 1559 O LYS A 92 97.782 10.102 3.393 1.00 0.00 O ATOM 1560 CB LYS A 92 96.304 8.707 5.844 1.00 0.00 C ATOM 1561 CG LYS A 92 95.150 7.954 6.510 1.00 0.00 C ATOM 1562 CD LYS A 92 95.657 7.261 7.776 1.00 0.00 C ATOM 1563 CE LYS A 92 94.521 6.451 8.404 1.00 0.00 C ATOM 1564 NZ LYS A 92 95.017 5.772 9.635 1.00 0.00 N ATOM 0 H LYS A 92 96.012 7.393 3.779 1.00 0.00 H new ATOM 0 HA LYS A 92 94.846 9.812 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 92 97.129 8.024 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.684 9.478 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 92 94.345 8.646 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 94.736 7.218 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 92 96.494 6.606 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 92 96.026 8.001 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 92 93.685 7.106 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 94.150 5.713 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 94.245 5.221 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 95.801 5.135 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 95.351 6.485 10.314 1.00 0.00 H new ATOM 1578 N LYS A 93 96.557 11.648 4.476 1.00 0.00 N ATOM 1579 CA LYS A 93 97.435 12.750 4.101 1.00 0.00 C ATOM 1580 C LYS A 93 98.771 12.641 4.829 1.00 0.00 C ATOM 1581 O LYS A 93 99.669 13.458 4.625 1.00 0.00 O ATOM 1582 CB LYS A 93 96.773 14.086 4.441 1.00 0.00 C ATOM 1583 CG LYS A 93 95.544 14.287 3.552 1.00 0.00 C ATOM 1584 CD LYS A 93 94.870 15.615 3.907 1.00 0.00 C ATOM 1585 CE LYS A 93 93.667 15.838 2.988 1.00 0.00 C ATOM 1586 NZ LYS A 93 92.979 17.103 3.370 1.00 0.00 N ATOM 0 H LYS A 93 95.758 11.918 5.049 1.00 0.00 H new ATOM 0 HA LYS A 93 97.614 12.698 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 93 96.482 14.103 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.480 14.902 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 93 95.837 14.285 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 93 94.844 13.463 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 93 94.549 15.605 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 93 95.580 16.435 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 93 93.994 15.888 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 93 92.976 14.998 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 92.161 17.255 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 92.655 17.038 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 93.640 17.900 3.275 1.00 0.00 H new ATOM 1600 N GLU A 94 98.894 11.628 5.681 1.00 0.00 N ATOM 1601 CA GLU A 94 100.125 11.425 6.437 1.00 0.00 C ATOM 1602 C GLU A 94 101.204 10.816 5.549 1.00 0.00 C ATOM 1603 O GLU A 94 101.763 9.765 5.866 1.00 0.00 O ATOM 1604 CB GLU A 94 99.859 10.500 7.628 1.00 0.00 C ATOM 1605 CG GLU A 94 101.038 10.569 8.600 1.00 0.00 C ATOM 1606 CD GLU A 94 100.726 9.759 9.854 1.00 0.00 C ATOM 1607 OE1 GLU A 94 101.648 9.494 10.608 1.00 0.00 O ATOM 1608 OE2 GLU A 94 99.570 9.416 10.042 1.00 0.00 O ATOM 0 H GLU A 94 98.163 10.940 5.864 1.00 0.00 H new ATOM 0 HA GLU A 94 100.472 12.393 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 94 98.939 10.795 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 94 99.718 9.476 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 94 101.938 10.182 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 94 101.240 11.606 8.867 1.00 0.00 H new ATOM 1615 N VAL A 95 101.494 11.482 4.436 1.00 0.00 N ATOM 1616 CA VAL A 95 102.507 10.995 3.507 1.00 0.00 C ATOM 1617 C VAL A 95 103.674 11.973 3.426 1.00 0.00 C ATOM 1618 O VAL A 95 103.478 13.183 3.317 1.00 0.00 O ATOM 1619 CB VAL A 95 101.895 10.813 2.116 1.00 0.00 C ATOM 1620 CG1 VAL A 95 100.986 9.583 2.116 1.00 0.00 C ATOM 1621 CG2 VAL A 95 101.073 12.053 1.756 1.00 0.00 C ATOM 0 H VAL A 95 101.045 12.354 4.157 1.00 0.00 H new ATOM 0 HA VAL A 95 102.876 10.036 3.871 1.00 0.00 H new ATOM 0 HB VAL A 95 102.691 10.677 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 95 100.550 9.453 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 95 101.570 8.699 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 95 100.190 9.719 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 95 100.636 11.925 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 95 100.277 12.187 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 95 101.719 12.931 1.757 1.00 0.00 H new ATOM 1631 N ASN A 96 104.891 11.440 3.481 1.00 0.00 N ATOM 1632 CA ASN A 96 106.084 12.276 3.421 1.00 0.00 C ATOM 1633 C ASN A 96 106.214 12.927 2.046 1.00 0.00 C ATOM 1634 O ASN A 96 105.537 12.536 1.096 1.00 0.00 O ATOM 1635 CB ASN A 96 107.328 11.432 3.708 1.00 0.00 C ATOM 1636 CG ASN A 96 106.928 9.983 3.957 1.00 0.00 C ATOM 1637 OD1 ASN A 96 106.764 9.178 2.943 1.00 0.00 O flip ATOM 1638 ND2 ASN A 96 106.760 9.573 5.105 1.00 0.00 N flip ATOM 0 H ASN A 96 105.076 10.441 3.566 1.00 0.00 H new ATOM 0 HA ASN A 96 105.995 13.059 4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 96 108.018 11.488 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 96 107.853 11.827 4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 96 106.889 10.204 5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 96 106.492 8.602 5.266 1.00 0.00 H new ATOM 1645 N PRO A 97 107.068 13.907 1.935 1.00 0.00 N ATOM 1646 CA PRO A 97 107.300 14.633 0.653 1.00 0.00 C ATOM 1647 C PRO A 97 107.348 13.687 -0.544 1.00 0.00 C ATOM 1648 O PRO A 97 107.221 14.114 -1.691 1.00 0.00 O ATOM 1649 CB PRO A 97 108.654 15.316 0.863 1.00 0.00 C ATOM 1650 CG PRO A 97 108.778 15.507 2.339 1.00 0.00 C ATOM 1651 CD PRO A 97 107.908 14.429 3.023 1.00 0.00 C ATOM 0 HA PRO A 97 106.495 15.332 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 97 109.468 14.702 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 97 108.698 16.270 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 97 109.818 15.415 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 97 108.447 16.505 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 97 108.521 13.644 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 97 107.304 14.853 3.825 1.00 0.00 H new ATOM 1659 N GLN A 98 107.531 12.400 -0.267 1.00 0.00 N ATOM 1660 CA GLN A 98 107.588 11.401 -1.329 1.00 0.00 C ATOM 1661 C GLN A 98 106.453 11.613 -2.326 1.00 0.00 C ATOM 1662 O GLN A 98 106.461 11.048 -3.419 1.00 0.00 O ATOM 1663 CB GLN A 98 107.487 9.996 -0.730 1.00 0.00 C ATOM 1664 CG GLN A 98 106.015 9.612 -0.573 1.00 0.00 C ATOM 1665 CD GLN A 98 105.875 8.492 0.453 1.00 0.00 C ATOM 1666 OE1 GLN A 98 106.852 7.812 0.768 1.00 0.00 O ATOM 1667 NE2 GLN A 98 104.712 8.258 0.996 1.00 0.00 N ATOM 0 H GLN A 98 107.642 12.026 0.676 1.00 0.00 H new ATOM 0 HA GLN A 98 108.539 11.507 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 98 107.994 9.278 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 98 107.987 9.965 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 98 105.436 10.480 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 98 105.610 9.290 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.904 8.822 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 98 104.611 7.511 1.683 1.00 0.00 H new ATOM 1676 N VAL A 99 105.479 12.432 -1.942 1.00 0.00 N ATOM 1677 CA VAL A 99 104.338 12.706 -2.807 1.00 0.00 C ATOM 1678 C VAL A 99 104.799 13.317 -4.126 1.00 0.00 C ATOM 1679 O VAL A 99 104.392 12.878 -5.201 1.00 0.00 O ATOM 1680 CB VAL A 99 103.371 13.663 -2.109 1.00 0.00 C ATOM 1681 CG1 VAL A 99 102.226 14.017 -3.060 1.00 0.00 C ATOM 1682 CG2 VAL A 99 102.803 12.992 -0.857 1.00 0.00 C ATOM 0 H VAL A 99 105.457 12.914 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 99 103.830 11.764 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 99 103.902 14.572 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 99 101.537 14.699 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 99 102.629 14.496 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 99 101.695 13.109 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 99 102.114 13.674 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 102.273 12.083 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 99 103.618 12.740 -0.178 1.00 0.00 H new ATOM 1692 N MET A 100 105.653 14.331 -4.036 1.00 0.00 N ATOM 1693 CA MET A 100 106.171 14.990 -5.229 1.00 0.00 C ATOM 1694 C MET A 100 107.042 14.031 -6.035 1.00 0.00 C ATOM 1695 O MET A 100 106.935 13.960 -7.259 1.00 0.00 O ATOM 1696 CB MET A 100 106.991 16.218 -4.834 1.00 0.00 C ATOM 1697 CG MET A 100 106.053 17.333 -4.370 1.00 0.00 C ATOM 1698 SD MET A 100 107.027 18.772 -3.863 1.00 0.00 S ATOM 1699 CE MET A 100 105.725 19.608 -2.925 1.00 0.00 C ATOM 0 H MET A 100 105.999 14.712 -3.156 1.00 0.00 H new ATOM 0 HA MET A 100 105.327 15.301 -5.845 1.00 0.00 H new ATOM 0 HB2 MET A 100 107.689 15.961 -4.037 1.00 0.00 H new ATOM 0 HB3 MET A 100 107.586 16.559 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 100 105.371 17.608 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 100 105.440 16.984 -3.539 1.00 0.00 H new ATOM 0 HE1 MET A 100 106.114 20.539 -2.514 1.00 0.00 H new ATOM 0 HE2 MET A 100 104.884 19.825 -3.584 1.00 0.00 H new ATOM 0 HE3 MET A 100 105.391 18.963 -2.112 1.00 0.00 H new ATOM 1709 N ALA A 101 107.904 13.297 -5.339 1.00 0.00 N ATOM 1710 CA ALA A 101 108.791 12.346 -6.001 1.00 0.00 C ATOM 1711 C ALA A 101 108.018 11.103 -6.432 1.00 0.00 C ATOM 1712 O ALA A 101 108.477 10.339 -7.280 1.00 0.00 O ATOM 1713 CB ALA A 101 109.924 11.944 -5.055 1.00 0.00 C ATOM 0 H ALA A 101 108.007 13.341 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 101 109.210 12.823 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 101 110.582 11.234 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 101 110.494 12.829 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 101 109.505 11.482 -4.161 1.00 0.00 H new ATOM 1719 N ALA A 102 106.844 10.907 -5.841 1.00 0.00 N ATOM 1720 CA ALA A 102 106.030 9.737 -6.148 1.00 0.00 C ATOM 1721 C ALA A 102 105.388 9.878 -7.524 1.00 0.00 C ATOM 1722 O ALA A 102 105.326 8.919 -8.293 1.00 0.00 O ATOM 1723 CB ALA A 102 104.940 9.565 -5.089 1.00 0.00 C ATOM 0 H ALA A 102 106.437 11.539 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 102 106.676 8.859 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 102 104.337 8.689 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 102 105.401 9.434 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 102 104.304 10.450 -5.074 1.00 0.00 H new ATOM 1729 N VAL A 103 104.911 11.081 -7.828 1.00 0.00 N ATOM 1730 CA VAL A 103 104.275 11.338 -9.115 1.00 0.00 C ATOM 1731 C VAL A 103 105.099 10.734 -10.249 1.00 0.00 C ATOM 1732 O VAL A 103 104.549 10.268 -11.248 1.00 0.00 O ATOM 1733 CB VAL A 103 104.128 12.843 -9.334 1.00 0.00 C ATOM 1734 CG1 VAL A 103 103.819 13.118 -10.807 1.00 0.00 C ATOM 1735 CG2 VAL A 103 102.985 13.375 -8.466 1.00 0.00 C ATOM 0 H VAL A 103 104.952 11.888 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 103 103.288 10.875 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 103 105.057 13.342 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 103 103.714 14.192 -10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 103 104.632 12.739 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 103 102.890 12.619 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 103 102.879 14.449 -8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 103 102.056 12.875 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 103 103.204 13.180 -7.416 1.00 0.00 H new ATOM 1745 N ALA A 104 106.417 10.746 -10.088 1.00 0.00 N ATOM 1746 CA ALA A 104 107.306 10.193 -11.102 1.00 0.00 C ATOM 1747 C ALA A 104 106.941 8.742 -11.400 1.00 0.00 C ATOM 1748 O ALA A 104 107.075 8.278 -12.533 1.00 0.00 O ATOM 1749 CB ALA A 104 108.756 10.268 -10.622 1.00 0.00 C ATOM 0 H ALA A 104 106.891 11.130 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 104 107.195 10.779 -12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 104 109.414 9.853 -11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 104 109.025 11.308 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 104 108.864 9.697 -9.700 1.00 0.00 H new ATOM 1755 N GLN A 105 106.481 8.030 -10.376 1.00 0.00 N ATOM 1756 CA GLN A 105 106.108 6.630 -10.538 1.00 0.00 C ATOM 1757 C GLN A 105 104.940 6.495 -11.509 1.00 0.00 C ATOM 1758 O GLN A 105 104.944 5.629 -12.384 1.00 0.00 O ATOM 1759 CB GLN A 105 105.721 6.033 -9.184 1.00 0.00 C ATOM 1760 CG GLN A 105 105.451 4.535 -9.344 1.00 0.00 C ATOM 1761 CD GLN A 105 105.170 3.908 -7.983 1.00 0.00 C ATOM 1762 OE1 GLN A 105 105.462 4.508 -6.949 1.00 0.00 O ATOM 1763 NE2 GLN A 105 104.616 2.727 -7.921 1.00 0.00 N ATOM 0 H GLN A 105 106.358 8.396 -9.432 1.00 0.00 H new ATOM 0 HA GLN A 105 106.964 6.090 -10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 105 106.521 6.194 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 105 104.835 6.533 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 105 104.601 4.379 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 105 106.310 4.050 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 105 104.375 2.231 -8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 105 104.425 2.300 -7.014 1.00 0.00 H new ATOM 1772 N THR A 106 103.941 7.357 -11.348 1.00 0.00 N ATOM 1773 CA THR A 106 102.775 7.330 -12.224 1.00 0.00 C ATOM 1774 C THR A 106 103.162 7.730 -13.644 1.00 0.00 C ATOM 1775 O THR A 106 102.569 7.259 -14.615 1.00 0.00 O ATOM 1776 CB THR A 106 101.703 8.288 -11.696 1.00 0.00 C ATOM 1777 OG1 THR A 106 102.277 9.572 -11.494 1.00 0.00 O ATOM 1778 CG2 THR A 106 101.152 7.759 -10.371 1.00 0.00 C ATOM 0 H THR A 106 103.915 8.077 -10.626 1.00 0.00 H new ATOM 0 HA THR A 106 102.379 6.315 -12.240 1.00 0.00 H new ATOM 0 HB THR A 106 100.892 8.362 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 106 103.247 9.521 -11.626 1.00 0.00 H new ATOM 0 HG21 THR A 106 100.389 8.441 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 106 100.713 6.774 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 106 101.961 7.684 -9.644 1.00 0.00 H new ATOM 1786 N GLU A 107 104.158 8.602 -13.758 1.00 0.00 N ATOM 1787 CA GLU A 107 104.614 9.062 -15.064 1.00 0.00 C ATOM 1788 C GLU A 107 105.658 8.107 -15.634 1.00 0.00 C ATOM 1789 O GLU A 107 106.372 7.435 -14.888 1.00 0.00 O ATOM 1790 CB GLU A 107 105.213 10.465 -14.946 1.00 0.00 C ATOM 1791 CG GLU A 107 104.143 11.435 -14.440 1.00 0.00 C ATOM 1792 CD GLU A 107 104.756 12.813 -14.212 1.00 0.00 C ATOM 1793 OE1 GLU A 107 104.048 13.681 -13.728 1.00 0.00 O ATOM 1794 OE2 GLU A 107 105.924 12.979 -14.523 1.00 0.00 O ATOM 0 H GLU A 107 104.662 9.002 -12.967 1.00 0.00 H new ATOM 0 HA GLU A 107 103.757 9.090 -15.737 1.00 0.00 H new ATOM 0 HB2 GLU A 107 106.062 10.453 -14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 107 105.589 10.794 -15.915 1.00 0.00 H new ATOM 0 HG2 GLU A 107 103.331 11.504 -15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 107 103.711 11.061 -13.511 1.00 0.00 H new ATOM 1801 N GLU A 108 105.743 8.053 -16.959 1.00 0.00 N ATOM 1802 CA GLU A 108 106.708 7.180 -17.617 1.00 0.00 C ATOM 1803 C GLU A 108 108.124 7.720 -17.443 1.00 0.00 C ATOM 1804 O GLU A 108 108.409 8.866 -17.791 1.00 0.00 O ATOM 1805 CB GLU A 108 106.381 7.071 -19.108 1.00 0.00 C ATOM 1806 CG GLU A 108 105.053 6.332 -19.287 1.00 0.00 C ATOM 1807 CD GLU A 108 104.648 6.338 -20.757 1.00 0.00 C ATOM 1808 OE1 GLU A 108 105.419 6.832 -21.562 1.00 0.00 O ATOM 1809 OE2 GLU A 108 103.571 5.847 -21.056 1.00 0.00 O ATOM 0 H GLU A 108 105.160 8.599 -17.594 1.00 0.00 H new ATOM 0 HA GLU A 108 106.649 6.193 -17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 108 106.319 8.065 -19.551 1.00 0.00 H new ATOM 0 HB3 GLU A 108 107.178 6.540 -19.628 1.00 0.00 H new ATOM 0 HG2 GLU A 108 105.147 5.306 -18.931 1.00 0.00 H new ATOM 0 HG3 GLU A 108 104.278 6.808 -18.686 1.00 0.00 H new ATOM 1816 N ILE A 109 109.008 6.887 -16.903 1.00 0.00 N ATOM 1817 CA ILE A 109 110.389 7.296 -16.675 1.00 0.00 C ATOM 1818 C ILE A 109 111.007 7.834 -17.961 1.00 0.00 C ATOM 1819 O ILE A 109 111.972 8.599 -17.925 1.00 0.00 O ATOM 1820 CB ILE A 109 111.209 6.108 -16.171 1.00 0.00 C ATOM 1821 CG1 ILE A 109 111.156 4.979 -17.202 1.00 0.00 C ATOM 1822 CG2 ILE A 109 110.630 5.612 -14.844 1.00 0.00 C ATOM 1823 CD1 ILE A 109 112.171 3.896 -16.829 1.00 0.00 C ATOM 0 H ILE A 109 108.795 5.931 -16.617 1.00 0.00 H new ATOM 0 HA ILE A 109 110.395 8.086 -15.924 1.00 0.00 H new ATOM 0 HB ILE A 109 112.243 6.419 -16.022 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.153 4.554 -17.240 1.00 0.00 H new ATOM 0 HG13 ILE A 109 111.374 5.370 -18.196 1.00 0.00 H new ATOM 0 HG21 ILE A 109 111.215 4.765 -14.486 1.00 0.00 H new ATOM 0 HG22 ILE A 109 110.666 6.415 -14.108 1.00 0.00 H new ATOM 0 HG23 ILE A 109 109.596 5.302 -14.992 1.00 0.00 H new ATOM 0 HD11 ILE A 109 112.132 3.092 -17.564 1.00 0.00 H new ATOM 0 HD12 ILE A 109 113.173 4.326 -16.814 1.00 0.00 H new ATOM 0 HD13 ILE A 109 111.932 3.498 -15.843 1.00 0.00 H new ATOM 1835 N LEU A 110 110.445 7.432 -19.096 1.00 0.00 N ATOM 1836 CA LEU A 110 110.942 7.891 -20.388 1.00 0.00 C ATOM 1837 C LEU A 110 110.733 9.394 -20.540 1.00 0.00 C ATOM 1838 O LEU A 110 111.609 10.106 -21.031 1.00 0.00 O ATOM 1839 CB LEU A 110 110.217 7.156 -21.517 1.00 0.00 C ATOM 1840 CG LEU A 110 110.543 5.663 -21.447 1.00 0.00 C ATOM 1841 CD1 LEU A 110 109.703 4.908 -22.479 1.00 0.00 C ATOM 1842 CD2 LEU A 110 112.028 5.451 -21.748 1.00 0.00 C ATOM 0 H LEU A 110 109.651 6.794 -19.148 1.00 0.00 H new ATOM 0 HA LEU A 110 112.010 7.677 -20.442 1.00 0.00 H new ATOM 0 HB2 LEU A 110 109.141 7.308 -21.432 1.00 0.00 H new ATOM 0 HB3 LEU A 110 110.521 7.560 -22.482 1.00 0.00 H new ATOM 0 HG LEU A 110 110.316 5.289 -20.449 1.00 0.00 H new ATOM 0 HD11 LEU A 110 109.935 3.844 -22.429 1.00 0.00 H new ATOM 0 HD12 LEU A 110 108.644 5.059 -22.267 1.00 0.00 H new ATOM 0 HD13 LEU A 110 109.930 5.283 -23.477 1.00 0.00 H new ATOM 0 HD21 LEU A 110 112.261 4.387 -21.698 1.00 0.00 H new ATOM 0 HD22 LEU A 110 112.254 5.826 -22.746 1.00 0.00 H new ATOM 0 HD23 LEU A 110 112.628 5.989 -21.014 1.00 0.00 H new ATOM 1854 N LYS A 111 109.568 9.871 -20.114 1.00 0.00 N ATOM 1855 CA LYS A 111 109.252 11.290 -20.213 1.00 0.00 C ATOM 1856 C LYS A 111 110.132 12.102 -19.268 1.00 0.00 C ATOM 1857 O LYS A 111 110.574 13.200 -19.606 1.00 0.00 O ATOM 1858 CB LYS A 111 107.780 11.523 -19.870 1.00 0.00 C ATOM 1859 CG LYS A 111 107.428 12.994 -20.097 1.00 0.00 C ATOM 1860 CD LYS A 111 105.947 13.221 -19.787 1.00 0.00 C ATOM 1861 CE LYS A 111 105.589 14.685 -20.044 1.00 0.00 C ATOM 1862 NZ LYS A 111 104.186 14.937 -19.610 1.00 0.00 N ATOM 0 H LYS A 111 108.832 9.299 -19.700 1.00 0.00 H new ATOM 0 HA LYS A 111 109.441 11.614 -21.236 1.00 0.00 H new ATOM 0 HB2 LYS A 111 107.147 10.887 -20.489 1.00 0.00 H new ATOM 0 HB3 LYS A 111 107.590 11.249 -18.832 1.00 0.00 H new ATOM 0 HG2 LYS A 111 108.045 13.628 -19.460 1.00 0.00 H new ATOM 0 HG3 LYS A 111 107.641 13.274 -21.129 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.331 12.571 -20.408 1.00 0.00 H new ATOM 0 HD3 LYS A 111 105.738 12.962 -18.749 1.00 0.00 H new ATOM 0 HE2 LYS A 111 106.272 15.338 -19.501 1.00 0.00 H new ATOM 0 HE3 LYS A 111 105.701 14.917 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.942 15.933 -19.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 103.541 14.323 -20.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 104.094 14.731 -18.595 1.00 0.00 H new ATOM 1876 N SER A 112 110.379 11.555 -18.083 1.00 0.00 N ATOM 1877 CA SER A 112 111.192 12.247 -17.088 1.00 0.00 C ATOM 1878 C SER A 112 112.545 12.633 -17.675 1.00 0.00 C ATOM 1879 O SER A 112 112.988 13.774 -17.544 1.00 0.00 O ATOM 1880 CB SER A 112 111.400 11.349 -15.868 1.00 0.00 C ATOM 1881 OG SER A 112 112.212 10.241 -16.235 1.00 0.00 O ATOM 0 H SER A 112 110.032 10.642 -17.789 1.00 0.00 H new ATOM 0 HA SER A 112 110.668 13.154 -16.786 1.00 0.00 H new ATOM 0 HB2 SER A 112 111.874 11.912 -15.064 1.00 0.00 H new ATOM 0 HB3 SER A 112 110.439 11.001 -15.490 1.00 0.00 H new ATOM 0 HG SER A 112 111.881 9.857 -17.074 1.00 0.00 H new ATOM 1887 N ASN A 113 113.198 11.674 -18.325 1.00 0.00 N ATOM 1888 CA ASN A 113 114.498 11.927 -18.935 1.00 0.00 C ATOM 1889 C ASN A 113 114.387 13.009 -20.004 1.00 0.00 C ATOM 1890 O ASN A 113 115.217 13.916 -20.072 1.00 0.00 O ATOM 1891 CB ASN A 113 115.040 10.640 -19.563 1.00 0.00 C ATOM 1892 CG ASN A 113 115.289 9.597 -18.480 1.00 0.00 C ATOM 1893 OD1 ASN A 113 115.544 9.946 -17.327 1.00 0.00 O ATOM 1894 ND2 ASN A 113 115.232 8.329 -18.783 1.00 0.00 N ATOM 0 H ASN A 113 112.851 10.722 -18.442 1.00 0.00 H new ATOM 0 HA ASN A 113 115.182 12.268 -18.158 1.00 0.00 H new ATOM 0 HB2 ASN A 113 114.329 10.255 -20.294 1.00 0.00 H new ATOM 0 HB3 ASN A 113 115.966 10.849 -20.098 1.00 0.00 H new ATOM 0 HD21 ASN A 113 115.399 7.625 -18.064 1.00 0.00 H new ATOM 0 HD22 ASN A 113 115.021 8.042 -19.739 1.00 0.00 H new ATOM 1901 N SER A 114 113.356 12.907 -20.837 1.00 0.00 N ATOM 1902 CA SER A 114 113.143 13.887 -21.896 1.00 0.00 C ATOM 1903 C SER A 114 111.718 13.795 -22.433 1.00 0.00 C ATOM 1904 O SER A 114 111.072 12.751 -22.330 1.00 0.00 O ATOM 1905 CB SER A 114 114.135 13.650 -23.034 1.00 0.00 C ATOM 1906 OG SER A 114 114.040 12.299 -23.466 1.00 0.00 O ATOM 0 H SER A 114 112.660 12.162 -20.800 1.00 0.00 H new ATOM 0 HA SER A 114 113.299 14.882 -21.480 1.00 0.00 H new ATOM 0 HB2 SER A 114 113.923 14.325 -23.863 1.00 0.00 H new ATOM 0 HB3 SER A 114 115.149 13.866 -22.699 1.00 0.00 H new ATOM 0 HG SER A 114 113.721 12.273 -24.392 1.00 0.00 H new ATOM 1912 N GLN A 115 111.234 14.892 -23.005 1.00 0.00 N ATOM 1913 CA GLN A 115 109.882 14.924 -23.551 1.00 0.00 C ATOM 1914 C GLN A 115 109.910 14.726 -25.063 1.00 0.00 C ATOM 1915 O GLN A 115 108.895 14.894 -25.739 1.00 0.00 O ATOM 1916 CB GLN A 115 109.217 16.262 -23.221 1.00 0.00 C ATOM 1917 CG GLN A 115 109.006 16.369 -21.709 1.00 0.00 C ATOM 1918 CD GLN A 115 108.452 17.745 -21.357 1.00 0.00 C ATOM 1919 OE1 GLN A 115 108.190 18.556 -22.245 1.00 0.00 O ATOM 1920 NE2 GLN A 115 108.257 18.059 -20.105 1.00 0.00 N ATOM 0 H GLN A 115 111.753 15.765 -23.102 1.00 0.00 H new ATOM 0 HA GLN A 115 109.309 14.113 -23.101 1.00 0.00 H new ATOM 0 HB2 GLN A 115 109.839 17.085 -23.571 1.00 0.00 H new ATOM 0 HB3 GLN A 115 108.261 16.342 -23.739 1.00 0.00 H new ATOM 0 HG2 GLN A 115 108.317 15.594 -21.374 1.00 0.00 H new ATOM 0 HG3 GLN A 115 109.950 16.204 -21.189 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.475 17.386 -19.370 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.887 18.978 -19.861 1.00 0.00 H new ATOM 1929 N THR A 116 111.078 14.370 -25.587 1.00 0.00 N ATOM 1930 CA THR A 116 111.229 14.163 -27.022 1.00 0.00 C ATOM 1931 C THR A 116 110.269 13.083 -27.512 1.00 0.00 C ATOM 1932 O THR A 116 109.627 13.235 -28.551 1.00 0.00 O ATOM 1933 CB THR A 116 112.668 13.751 -27.343 1.00 0.00 C ATOM 1934 OG1 THR A 116 113.025 12.627 -26.551 1.00 0.00 O ATOM 1935 CG2 THR A 116 113.613 14.915 -27.037 1.00 0.00 C ATOM 0 H THR A 116 111.928 14.220 -25.044 1.00 0.00 H new ATOM 0 HA THR A 116 110.997 15.099 -27.530 1.00 0.00 H new ATOM 0 HB THR A 116 112.746 13.491 -28.399 1.00 0.00 H new ATOM 0 HG1 THR A 116 113.946 12.361 -26.757 1.00 0.00 H new ATOM 0 HG21 THR A 116 114.638 14.622 -27.266 1.00 0.00 H new ATOM 0 HG22 THR A 116 113.338 15.777 -27.645 1.00 0.00 H new ATOM 0 HG23 THR A 116 113.538 15.177 -25.982 1.00 0.00 H new ATOM 1943 N ASP A 117 110.175 11.995 -26.756 1.00 0.00 N ATOM 1944 CA ASP A 117 109.287 10.897 -27.120 1.00 0.00 C ATOM 1945 C ASP A 117 107.841 11.379 -27.191 1.00 0.00 C ATOM 1946 O ASP A 117 107.133 11.107 -28.161 1.00 0.00 O ATOM 1947 CB ASP A 117 109.401 9.770 -26.093 1.00 0.00 C ATOM 1948 CG ASP A 117 110.624 8.911 -26.396 1.00 0.00 C ATOM 1949 OD1 ASP A 117 110.958 8.078 -25.569 1.00 0.00 O ATOM 1950 OD2 ASP A 117 111.208 9.098 -27.452 1.00 0.00 O ATOM 0 H ASP A 117 110.699 11.850 -25.893 1.00 0.00 H new ATOM 0 HA ASP A 117 109.583 10.525 -28.101 1.00 0.00 H new ATOM 0 HB2 ASP A 117 109.479 10.188 -25.089 1.00 0.00 H new ATOM 0 HB3 ASP A 117 108.501 9.156 -26.113 1.00 0.00 H new ATOM 1955 N LEU A 118 107.410 12.095 -26.157 1.00 0.00 N ATOM 1956 CA LEU A 118 106.044 12.602 -26.109 1.00 0.00 C ATOM 1957 C LEU A 118 106.037 14.098 -25.808 1.00 0.00 C ATOM 1958 O LEU A 118 105.728 14.514 -24.692 1.00 0.00 O ATOM 1959 CB LEU A 118 105.249 11.860 -25.033 1.00 0.00 C ATOM 1960 CG LEU A 118 105.114 10.387 -25.422 1.00 0.00 C ATOM 1961 CD1 LEU A 118 104.526 9.600 -24.250 1.00 0.00 C ATOM 1962 CD2 LEU A 118 104.189 10.263 -26.635 1.00 0.00 C ATOM 0 H LEU A 118 107.982 12.335 -25.347 1.00 0.00 H new ATOM 0 HA LEU A 118 105.581 12.437 -27.082 1.00 0.00 H new ATOM 0 HB2 LEU A 118 105.751 11.948 -24.070 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.262 12.309 -24.920 1.00 0.00 H new ATOM 0 HG LEU A 118 106.097 9.986 -25.671 1.00 0.00 H new ATOM 0 HD11 LEU A 118 104.430 8.550 -24.528 1.00 0.00 H new ATOM 0 HD12 LEU A 118 105.185 9.688 -23.386 1.00 0.00 H new ATOM 0 HD13 LEU A 118 103.544 10.000 -23.999 1.00 0.00 H new ATOM 0 HD21 LEU A 118 104.092 9.213 -26.913 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.207 10.665 -26.386 1.00 0.00 H new ATOM 0 HD23 LEU A 118 104.608 10.823 -27.471 1.00 0.00 H new ATOM 1974 N GLU A 119 106.381 14.899 -26.811 1.00 0.00 N ATOM 1975 CA GLU A 119 106.407 16.348 -26.643 1.00 0.00 C ATOM 1976 C GLU A 119 105.014 16.937 -26.842 1.00 0.00 C ATOM 1977 O GLU A 119 104.620 17.258 -27.963 1.00 0.00 O ATOM 1978 CB GLU A 119 107.376 16.972 -27.648 1.00 0.00 C ATOM 1979 CG GLU A 119 107.464 18.480 -27.405 1.00 0.00 C ATOM 1980 CD GLU A 119 108.500 19.099 -28.337 1.00 0.00 C ATOM 1981 OE1 GLU A 119 109.256 18.349 -28.932 1.00 0.00 O ATOM 1982 OE2 GLU A 119 108.521 20.315 -28.443 1.00 0.00 O ATOM 0 H GLU A 119 106.644 14.573 -27.741 1.00 0.00 H new ATOM 0 HA GLU A 119 106.741 16.571 -25.630 1.00 0.00 H new ATOM 0 HB2 GLU A 119 108.362 16.519 -27.548 1.00 0.00 H new ATOM 0 HB3 GLU A 119 107.037 16.776 -28.665 1.00 0.00 H new ATOM 0 HG2 GLU A 119 106.491 18.941 -27.572 1.00 0.00 H new ATOM 0 HG3 GLU A 119 107.734 18.674 -26.367 1.00 0.00 H new ATOM 1989 N HIS A 120 104.274 17.074 -25.747 1.00 0.00 N ATOM 1990 CA HIS A 120 102.927 17.631 -25.813 1.00 0.00 C ATOM 1991 C HIS A 120 102.969 19.077 -26.293 1.00 0.00 C ATOM 1992 O HIS A 120 102.189 19.478 -27.157 1.00 0.00 O ATOM 1993 CB HIS A 120 102.268 17.567 -24.434 1.00 0.00 C ATOM 1994 CG HIS A 120 101.843 16.153 -24.146 1.00 0.00 C ATOM 1995 ND1 HIS A 120 102.717 15.208 -23.631 1.00 0.00 N ATOM 1996 CD2 HIS A 120 100.640 15.508 -24.297 1.00 0.00 C ATOM 1997 CE1 HIS A 120 102.033 14.058 -23.491 1.00 0.00 C ATOM 1998 NE2 HIS A 120 100.763 14.186 -23.882 1.00 0.00 N ATOM 0 H HIS A 120 104.580 16.810 -24.811 1.00 0.00 H new ATOM 0 HA HIS A 120 102.344 17.042 -26.521 1.00 0.00 H new ATOM 0 HB2 HIS A 120 102.965 17.911 -23.670 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.405 18.231 -24.401 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.736 15.959 -24.680 1.00 0.00 H new ATOM 0 HE1 HIS A 120 102.460 13.142 -23.109 1.00 0.00 H new ATOM 0 HE2 HIS A 120 100.038 13.468 -23.877 1.00 0.00 H new ATOM 2007 N HIS A 121 103.884 19.858 -25.726 1.00 0.00 N ATOM 2008 CA HIS A 121 104.015 21.261 -26.101 1.00 0.00 C ATOM 2009 C HIS A 121 105.212 21.458 -27.027 1.00 0.00 C ATOM 2010 O HIS A 121 106.347 21.147 -26.665 1.00 0.00 O ATOM 2011 CB HIS A 121 104.189 22.122 -24.850 1.00 0.00 C ATOM 2012 CG HIS A 121 102.932 22.070 -24.026 1.00 0.00 C ATOM 2013 ND1 HIS A 121 101.850 22.899 -24.276 1.00 0.00 N ATOM 2014 CD2 HIS A 121 102.570 21.294 -22.953 1.00 0.00 C ATOM 2015 CE1 HIS A 121 100.897 22.605 -23.373 1.00 0.00 C ATOM 2016 NE2 HIS A 121 101.285 21.634 -22.543 1.00 0.00 N ATOM 0 H HIS A 121 104.541 19.546 -25.011 1.00 0.00 H new ATOM 0 HA HIS A 121 103.109 21.563 -26.626 1.00 0.00 H new ATOM 0 HB2 HIS A 121 105.036 21.764 -24.264 1.00 0.00 H new ATOM 0 HB3 HIS A 121 104.409 23.152 -25.132 1.00 0.00 H new ATOM 0 HD2 HIS A 121 103.189 20.535 -22.497 1.00 0.00 H new ATOM 0 HE1 HIS A 121 99.936 23.095 -23.325 1.00 0.00 H new ATOM 0 HE2 HIS A 121 100.753 21.228 -21.773 1.00 0.00 H new ATOM 2025 N HIS A 122 104.949 21.975 -28.223 1.00 0.00 N ATOM 2026 CA HIS A 122 106.015 22.219 -29.189 1.00 0.00 C ATOM 2027 C HIS A 122 107.053 23.175 -28.611 1.00 0.00 C ATOM 2028 O HIS A 122 108.256 22.934 -28.710 1.00 0.00 O ATOM 2029 CB HIS A 122 105.430 22.812 -30.472 1.00 0.00 C ATOM 2030 CG HIS A 122 104.731 21.732 -31.251 1.00 0.00 C ATOM 2031 ND1 HIS A 122 103.529 21.181 -30.835 1.00 0.00 N ATOM 2032 CD2 HIS A 122 105.052 21.092 -32.422 1.00 0.00 C ATOM 2033 CE1 HIS A 122 103.173 20.253 -31.742 1.00 0.00 C ATOM 2034 NE2 HIS A 122 104.067 20.157 -32.730 1.00 0.00 N ATOM 0 H HIS A 122 104.016 22.231 -28.545 1.00 0.00 H new ATOM 0 HA HIS A 122 106.500 21.269 -29.416 1.00 0.00 H new ATOM 0 HB2 HIS A 122 104.730 23.611 -30.229 1.00 0.00 H new ATOM 0 HB3 HIS A 122 106.223 23.255 -31.075 1.00 0.00 H new ATOM 0 HD2 HIS A 122 105.934 21.284 -33.014 1.00 0.00 H new ATOM 0 HE1 HIS A 122 102.274 19.658 -31.679 1.00 0.00 H new ATOM 0 HE2 HIS A 122 104.035 19.533 -33.536 1.00 0.00 H new ATOM 2043 N HIS A 123 106.579 24.262 -28.008 1.00 0.00 N ATOM 2044 CA HIS A 123 107.476 25.246 -27.414 1.00 0.00 C ATOM 2045 C HIS A 123 107.222 25.364 -25.915 1.00 0.00 C ATOM 2046 O HIS A 123 106.080 25.304 -25.462 1.00 0.00 O ATOM 2047 CB HIS A 123 107.271 26.609 -28.078 1.00 0.00 C ATOM 2048 CG HIS A 123 107.588 26.505 -29.544 1.00 0.00 C ATOM 2049 ND1 HIS A 123 108.809 26.902 -30.065 1.00 0.00 N ATOM 2050 CD2 HIS A 123 106.854 26.052 -30.612 1.00 0.00 C ATOM 2051 CE1 HIS A 123 108.775 26.682 -31.392 1.00 0.00 C ATOM 2052 NE2 HIS A 123 107.605 26.164 -31.778 1.00 0.00 N ATOM 0 H HIS A 123 105.587 24.482 -27.919 1.00 0.00 H new ATOM 0 HA HIS A 123 108.503 24.917 -27.573 1.00 0.00 H new ATOM 0 HB2 HIS A 123 106.242 26.942 -27.940 1.00 0.00 H new ATOM 0 HB3 HIS A 123 107.913 27.355 -27.608 1.00 0.00 H new ATOM 0 HD2 HIS A 123 105.846 25.667 -30.556 1.00 0.00 H new ATOM 0 HE1 HIS A 123 109.593 26.898 -32.063 1.00 0.00 H new ATOM 0 HE2 HIS A 123 107.323 25.906 -32.724 1.00 0.00 H new ATOM 2061 N HIS A 124 108.296 25.535 -25.149 1.00 0.00 N ATOM 2062 CA HIS A 124 108.178 25.656 -23.701 1.00 0.00 C ATOM 2063 C HIS A 124 107.434 26.933 -23.328 1.00 0.00 C ATOM 2064 O HIS A 124 106.572 26.927 -22.449 1.00 0.00 O ATOM 2065 CB HIS A 124 109.569 25.668 -23.063 1.00 0.00 C ATOM 2066 CG HIS A 124 110.147 24.280 -23.093 1.00 0.00 C ATOM 2067 ND1 HIS A 124 110.761 23.759 -24.223 1.00 0.00 N ATOM 2068 CD2 HIS A 124 110.213 23.293 -22.142 1.00 0.00 C ATOM 2069 CE1 HIS A 124 111.166 22.511 -23.924 1.00 0.00 C ATOM 2070 NE2 HIS A 124 110.857 22.177 -22.669 1.00 0.00 N ATOM 0 H HIS A 124 109.250 25.592 -25.504 1.00 0.00 H new ATOM 0 HA HIS A 124 107.615 24.800 -23.329 1.00 0.00 H new ATOM 0 HB2 HIS A 124 110.221 26.357 -23.600 1.00 0.00 H new ATOM 0 HB3 HIS A 124 109.506 26.025 -22.035 1.00 0.00 H new ATOM 0 HD2 HIS A 124 109.824 23.370 -21.137 1.00 0.00 H new ATOM 0 HE1 HIS A 124 111.679 21.859 -24.615 1.00 0.00 H new ATOM 0 HE2 HIS A 124 111.051 21.294 -22.197 1.00 0.00 H new ATOM 2079 N HIS A 125 107.772 28.027 -24.002 1.00 0.00 N ATOM 2080 CA HIS A 125 107.127 29.307 -23.734 1.00 0.00 C ATOM 2081 C HIS A 125 107.100 30.167 -24.994 1.00 0.00 C ATOM 2082 O HIS A 125 108.100 30.193 -25.692 1.00 0.00 O ATOM 2083 CB HIS A 125 107.877 30.048 -22.624 1.00 0.00 C ATOM 2084 CG HIS A 125 107.041 31.198 -22.136 1.00 0.00 C ATOM 2085 ND1 HIS A 125 107.294 32.509 -22.514 1.00 0.00 N ATOM 2086 CD2 HIS A 125 105.952 31.253 -21.301 1.00 0.00 C ATOM 2087 CE1 HIS A 125 106.377 33.288 -21.912 1.00 0.00 C ATOM 2088 NE2 HIS A 125 105.535 32.574 -21.161 1.00 0.00 N ATOM 2089 OXT HIS A 125 106.079 30.788 -25.241 1.00 0.00 O ATOM 0 H HIS A 125 108.483 28.054 -24.732 1.00 0.00 H new ATOM 0 HA HIS A 125 106.102 29.117 -23.415 1.00 0.00 H new ATOM 0 HB2 HIS A 125 108.095 29.368 -21.801 1.00 0.00 H new ATOM 0 HB3 HIS A 125 108.834 30.413 -22.998 1.00 0.00 H new ATOM 0 HD2 HIS A 125 105.489 30.401 -20.825 1.00 0.00 H new ATOM 0 HE1 HIS A 125 106.328 34.361 -22.023 1.00 0.00 H new ATOM 0 HE2 HIS A 125 104.754 32.922 -20.604 1.00 0.00 H new TER 2098 HIS A 125