USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=27 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 92:sc= 0.549 USER MOD Set 1.2: A 121 HIS :FLIP no HD1:sc= 0.151 F(o=-1.5,f=0.7) USER MOD Set 2.1: A 64 GLN : amide:sc= 0.362 K(o=-2.9,f=-4.7) USER MOD Set 2.2: A 68 ASN : amide:sc= -3.21! C(o=-2.9!,f=-4.8!) USER MOD Set 3.1: A 50 THR OG1 : rot 59:sc= 0.993 USER MOD Set 3.2: A 98 GLN :FLIP amide:sc= -1.46 F(o=-1!,f=-0.47) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.6!) USER MOD Single : A 8 HIS : no HD1:sc= 0.717 K(o=0.72,f=-2.5!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 14 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.85) USER MOD Single : A 16 LYS NZ :NH3+ -101:sc= -2.24! (180deg=-3.28!) USER MOD Single : A 17 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.31) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc=-0.00292 (180deg=-0.35) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.503 USER MOD Single : A 42 CYS SG : rot 34:sc= -0.297 USER MOD Single : A 47 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 85:sc= -0.187! USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0454 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00828 USER MOD Single : A 69 THR OG1 : rot -84:sc= 0.729 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 -36:sc= 0.363 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= 0.0128 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.21) USER MOD Single : A 96 ASN :FLIP amide:sc= -3.16 F(o=-5.5!,f=-3.2) USER MOD Single : A 100 MET CE :methyl 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 105 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.18) USER MOD Single : A 106 THR OG1 : rot -86:sc= 0.17 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1) USER MOD Single : A 115 GLN : amide:sc= -2.52! C(o=-2.5!,f=-7.8!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 120 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 123 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.45) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 125 HIS : no HE2:sc= -1.97! C(o=-2!,f=-3.5!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 115.254 10.790 0.037 1.00 0.00 C HETATM 2 O1 MYR A 1 114.541 11.581 0.656 1.00 0.00 O HETATM 3 C2 MYR A 1 115.129 9.428 0.345 1.00 0.00 C HETATM 4 C3 MYR A 1 113.662 9.022 0.551 1.00 0.00 C HETATM 5 C4 MYR A 1 112.751 9.684 -0.477 1.00 0.00 C HETATM 6 C5 MYR A 1 111.291 9.677 -0.035 1.00 0.00 C HETATM 7 C6 MYR A 1 111.112 8.843 1.236 1.00 0.00 C HETATM 8 C7 MYR A 1 109.651 8.611 1.643 1.00 0.00 C HETATM 9 C8 MYR A 1 109.434 7.536 2.716 1.00 0.00 C HETATM 10 C9 MYR A 1 108.176 6.670 2.513 1.00 0.00 C HETATM 11 C10 MYR A 1 108.385 5.213 2.945 1.00 0.00 C HETATM 12 C11 MYR A 1 107.628 4.857 4.236 1.00 0.00 C HETATM 13 C12 MYR A 1 106.994 3.469 4.144 1.00 0.00 C HETATM 14 C13 MYR A 1 108.040 2.366 4.302 1.00 0.00 C HETATM 15 C14 MYR A 1 107.390 1.005 4.508 1.00 0.00 C HETATM 0 H143 MYR A 1 106.775 1.028 5.408 1.00 0.00 H new HETATM 0 H142 MYR A 1 106.765 0.766 3.647 1.00 0.00 H new HETATM 0 H141 MYR A 1 108.164 0.245 4.617 1.00 0.00 H new HETATM 0 H132 MYR A 1 108.675 2.336 3.417 1.00 0.00 H new HETATM 0 H131 MYR A 1 108.685 2.594 5.150 1.00 0.00 H new HETATM 0 H122 MYR A 1 106.232 3.363 4.917 1.00 0.00 H new HETATM 0 H121 MYR A 1 106.491 3.360 3.183 1.00 0.00 H new HETATM 0 H112 MYR A 1 108.313 4.891 5.083 1.00 0.00 H new HETATM 0 H111 MYR A 1 106.854 5.601 4.423 1.00 0.00 H new HETATM 0 H102 MYR A 1 108.057 4.551 2.143 1.00 0.00 H new HETATM 0 H101 MYR A 1 109.450 5.032 3.092 1.00 0.00 H new HETATM 0 H92 MYR A 1 107.350 7.098 3.080 1.00 0.00 H new HETATM 0 H91 MYR A 1 107.888 6.695 1.462 1.00 0.00 H new HETATM 0 H82 MYR A 1 110.307 6.884 2.740 1.00 0.00 H new HETATM 0 H81 MYR A 1 109.371 8.021 3.690 1.00 0.00 H new HETATM 0 H72 MYR A 1 109.238 9.552 2.006 1.00 0.00 H new HETATM 0 H71 MYR A 1 109.083 8.335 0.755 1.00 0.00 H new HETATM 0 H62 MYR A 1 111.594 7.876 1.092 1.00 0.00 H new HETATM 0 H61 MYR A 1 111.631 9.338 2.057 1.00 0.00 H new HETATM 0 H52 MYR A 1 110.956 10.699 0.145 1.00 0.00 H new HETATM 0 H51 MYR A 1 110.667 9.272 -0.832 1.00 0.00 H new HETATM 0 H42 MYR A 1 113.075 10.712 -0.640 1.00 0.00 H new HETATM 0 H41 MYR A 1 112.844 9.165 -1.431 1.00 0.00 H new HETATM 0 H32 MYR A 1 113.569 7.938 0.477 1.00 0.00 H new HETATM 0 H31 MYR A 1 113.343 9.302 1.555 1.00 0.00 H new HETATM 0 H22 MYR A 1 115.562 8.832 -0.459 1.00 0.00 H new HETATM 0 H21 MYR A 1 115.698 9.206 1.248 1.00 0.00 H new ATOM 43 N GLY A 2 116.563 10.957 -0.093 1.00 0.00 N ATOM 44 CA GLY A 2 117.235 12.106 0.498 1.00 0.00 C ATOM 45 C GLY A 2 117.211 12.029 2.020 1.00 0.00 C ATOM 46 O GLY A 2 117.039 10.955 2.597 1.00 0.00 O ATOM 0 HA2 GLY A 2 118.267 12.148 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 2 116.749 13.025 0.169 1.00 0.00 H new ATOM 50 N GLN A 3 117.394 13.175 2.666 1.00 0.00 N ATOM 51 CA GLN A 3 117.398 13.230 4.126 1.00 0.00 C ATOM 52 C GLN A 3 116.121 12.611 4.688 1.00 0.00 C ATOM 53 O GLN A 3 116.079 12.182 5.842 1.00 0.00 O ATOM 54 CB GLN A 3 117.510 14.680 4.594 1.00 0.00 C ATOM 55 CG GLN A 3 118.870 15.247 4.180 1.00 0.00 C ATOM 56 CD GLN A 3 118.956 16.723 4.552 1.00 0.00 C ATOM 57 OE1 GLN A 3 118.229 17.547 3.996 1.00 0.00 O ATOM 58 NE2 GLN A 3 119.805 17.109 5.465 1.00 0.00 N ATOM 0 H GLN A 3 117.541 14.074 2.207 1.00 0.00 H new ATOM 0 HA GLN A 3 118.255 12.664 4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 3 116.708 15.276 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 3 117.396 14.734 5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 3 119.669 14.693 4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 3 119.012 15.125 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 3 120.406 16.425 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 3 119.867 18.095 5.719 1.00 0.00 H new ATOM 67 N GLU A 4 115.085 12.564 3.863 1.00 0.00 N ATOM 68 CA GLU A 4 113.808 11.992 4.275 1.00 0.00 C ATOM 69 C GLU A 4 114.022 10.625 4.922 1.00 0.00 C ATOM 70 O GLU A 4 113.162 10.118 5.638 1.00 0.00 O ATOM 71 CB GLU A 4 112.869 11.860 3.074 1.00 0.00 C ATOM 72 CG GLU A 4 111.436 11.637 3.563 1.00 0.00 C ATOM 73 CD GLU A 4 110.906 12.908 4.220 1.00 0.00 C ATOM 74 OE1 GLU A 4 109.864 12.837 4.850 1.00 0.00 O ATOM 75 OE2 GLU A 4 111.553 13.934 4.084 1.00 0.00 O ATOM 0 H GLU A 4 115.102 12.914 2.905 1.00 0.00 H new ATOM 0 HA GLU A 4 113.352 12.660 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 4 112.919 12.760 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.183 11.027 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 4 110.797 11.357 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 4 111.410 10.812 4.275 1.00 0.00 H new ATOM 82 N LEU A 5 115.171 10.023 4.653 1.00 0.00 N ATOM 83 CA LEU A 5 115.478 8.709 5.207 1.00 0.00 C ATOM 84 C LEU A 5 115.061 8.637 6.683 1.00 0.00 C ATOM 85 O LEU A 5 114.582 7.598 7.168 1.00 0.00 O ATOM 86 CB LEU A 5 116.981 8.432 5.080 1.00 0.00 C ATOM 87 CG LEU A 5 117.286 7.006 5.556 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.567 5.996 4.658 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.793 6.758 5.496 1.00 0.00 C ATOM 0 H LEU A 5 115.901 10.417 4.060 1.00 0.00 H new ATOM 0 HA LEU A 5 114.921 7.956 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.297 8.555 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.545 9.152 5.673 1.00 0.00 H new ATOM 0 HG LEU A 5 116.938 6.888 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.786 4.984 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.492 6.169 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 5 116.910 6.114 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.009 5.745 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.141 6.880 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.305 7.472 6.140 1.00 0.00 H new ATOM 101 N SER A 6 115.239 9.742 7.393 1.00 0.00 N ATOM 102 CA SER A 6 114.877 9.792 8.802 1.00 0.00 C ATOM 103 C SER A 6 113.412 9.387 8.978 1.00 0.00 C ATOM 104 O SER A 6 113.042 8.768 9.979 1.00 0.00 O ATOM 105 CB SER A 6 115.083 11.207 9.342 1.00 0.00 C ATOM 106 OG SER A 6 114.161 12.087 8.717 1.00 0.00 O ATOM 0 H SER A 6 115.628 10.608 7.021 1.00 0.00 H new ATOM 0 HA SER A 6 115.512 9.099 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.941 11.220 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 6 116.104 11.536 9.151 1.00 0.00 H new ATOM 0 HG SER A 6 114.290 12.995 9.063 1.00 0.00 H new ATOM 112 N GLN A 7 112.589 9.726 7.994 1.00 0.00 N ATOM 113 CA GLN A 7 111.175 9.381 8.045 1.00 0.00 C ATOM 114 C GLN A 7 111.009 7.875 8.219 1.00 0.00 C ATOM 115 O GLN A 7 110.166 7.429 8.994 1.00 0.00 O ATOM 116 CB GLN A 7 110.478 9.823 6.755 1.00 0.00 C ATOM 117 CG GLN A 7 108.977 9.526 6.849 1.00 0.00 C ATOM 118 CD GLN A 7 108.276 9.963 5.568 1.00 0.00 C ATOM 119 OE1 GLN A 7 108.827 10.743 4.792 1.00 0.00 O ATOM 120 NE2 GLN A 7 107.084 9.504 5.299 1.00 0.00 N ATOM 0 H GLN A 7 112.873 10.235 7.157 1.00 0.00 H new ATOM 0 HA GLN A 7 110.723 9.895 8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 7 110.638 10.889 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 7 110.909 9.301 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 7 108.819 8.460 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 7 108.548 10.048 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 7 106.629 8.858 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 7 106.608 9.792 4.444 1.00 0.00 H new ATOM 129 N HIS A 8 111.817 7.097 7.500 1.00 0.00 N ATOM 130 CA HIS A 8 111.738 5.646 7.595 1.00 0.00 C ATOM 131 C HIS A 8 111.957 5.211 9.038 1.00 0.00 C ATOM 132 O HIS A 8 111.176 4.431 9.587 1.00 0.00 O ATOM 133 CB HIS A 8 112.808 5.016 6.698 1.00 0.00 C ATOM 134 CG HIS A 8 112.718 3.518 6.782 1.00 0.00 C ATOM 135 ND1 HIS A 8 111.754 2.796 6.095 1.00 0.00 N ATOM 136 CD2 HIS A 8 113.460 2.592 7.472 1.00 0.00 C ATOM 137 CE1 HIS A 8 111.941 1.495 6.383 1.00 0.00 C ATOM 138 NE2 HIS A 8 112.969 1.315 7.218 1.00 0.00 N ATOM 0 H HIS A 8 112.525 7.445 6.853 1.00 0.00 H new ATOM 0 HA HIS A 8 110.752 5.317 7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 8 112.670 5.341 5.667 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.799 5.349 7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 8 114.298 2.820 8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 8 111.334 0.694 5.988 1.00 0.00 H new ATOM 0 HE2 HIS A 8 113.318 0.432 7.589 1.00 0.00 H new ATOM 147 N GLU A 9 113.020 5.717 9.647 1.00 0.00 N ATOM 148 CA GLU A 9 113.323 5.365 11.039 1.00 0.00 C ATOM 149 C GLU A 9 112.073 5.549 11.910 1.00 0.00 C ATOM 150 O GLU A 9 111.838 4.805 12.878 1.00 0.00 O ATOM 151 CB GLU A 9 114.456 6.254 11.564 1.00 0.00 C ATOM 152 CG GLU A 9 114.823 5.833 12.988 1.00 0.00 C ATOM 153 CD GLU A 9 116.008 6.655 13.486 1.00 0.00 C ATOM 154 OE1 GLU A 9 116.513 6.342 14.551 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.391 7.584 12.795 1.00 0.00 O ATOM 0 H GLU A 9 113.681 6.362 9.214 1.00 0.00 H new ATOM 0 HA GLU A 9 113.636 4.322 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.327 6.171 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.147 7.299 11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 9 113.968 5.974 13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 9 115.071 4.772 13.010 1.00 0.00 H new ATOM 162 N ARG A 10 111.256 6.537 11.546 1.00 0.00 N ATOM 163 CA ARG A 10 110.029 6.806 12.287 1.00 0.00 C ATOM 164 C ARG A 10 108.943 5.828 11.859 1.00 0.00 C ATOM 165 O ARG A 10 108.293 5.227 12.693 1.00 0.00 O ATOM 166 CB ARG A 10 109.561 8.233 12.029 1.00 0.00 C ATOM 167 CG ARG A 10 110.687 9.204 12.406 1.00 0.00 C ATOM 168 CD ARG A 10 110.266 10.634 12.066 1.00 0.00 C ATOM 169 NE ARG A 10 111.341 11.568 12.386 1.00 0.00 N ATOM 170 CZ ARG A 10 111.122 12.878 12.422 1.00 0.00 C ATOM 171 NH1 ARG A 10 112.098 13.694 12.710 1.00 0.00 N ATOM 172 NH2 ARG A 10 109.932 13.348 12.167 1.00 0.00 N ATOM 0 H ARG A 10 111.420 7.156 10.752 1.00 0.00 H new ATOM 0 HA ARG A 10 110.228 6.684 13.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.292 8.357 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.667 8.448 12.615 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.910 9.123 13.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.599 8.945 11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.017 10.705 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.367 10.898 12.624 1.00 0.00 H new ATOM 0 HE ARG A 10 112.275 11.209 12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.029 13.326 12.907 1.00 0.00 H new ATOM 0 HH12 ARG A 10 111.930 14.700 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.169 12.710 11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 10 109.764 14.354 12.195 1.00 0.00 H new ATOM 186 N TYR A 11 108.751 5.686 10.555 1.00 0.00 N ATOM 187 CA TYR A 11 107.732 4.783 10.037 1.00 0.00 C ATOM 188 C TYR A 11 107.891 3.403 10.674 1.00 0.00 C ATOM 189 O TYR A 11 106.917 2.769 11.048 1.00 0.00 O ATOM 190 CB TYR A 11 107.875 4.652 8.519 1.00 0.00 C ATOM 191 CG TYR A 11 106.771 3.777 7.977 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.008 2.423 7.720 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.506 4.325 7.731 1.00 0.00 C ATOM 194 CE1 TYR A 11 105.981 1.615 7.216 1.00 0.00 C ATOM 195 CE2 TYR A 11 104.479 3.518 7.227 1.00 0.00 C ATOM 196 CZ TYR A 11 104.717 2.162 6.970 1.00 0.00 C ATOM 197 OH TYR A 11 103.705 1.365 6.469 1.00 0.00 O ATOM 0 H TYR A 11 109.284 6.181 9.840 1.00 0.00 H new ATOM 0 HA TYR A 11 106.749 5.187 10.278 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.833 5.637 8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.846 4.224 8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 11 107.983 2.000 7.910 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.323 5.371 7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 11 106.165 0.569 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 11 103.504 3.941 7.036 1.00 0.00 H new ATOM 0 HH TYR A 11 102.892 1.900 6.357 1.00 0.00 H new ATOM 207 N VAL A 12 109.127 2.949 10.804 1.00 0.00 N ATOM 208 CA VAL A 12 109.375 1.637 11.407 1.00 0.00 C ATOM 209 C VAL A 12 108.841 1.584 12.833 1.00 0.00 C ATOM 210 O VAL A 12 108.006 0.739 13.158 1.00 0.00 O ATOM 211 CB VAL A 12 110.880 1.365 11.428 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.189 0.265 12.446 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.334 0.910 10.039 1.00 0.00 C ATOM 0 H VAL A 12 109.963 3.453 10.509 1.00 0.00 H new ATOM 0 HA VAL A 12 108.862 0.882 10.812 1.00 0.00 H new ATOM 0 HB VAL A 12 111.408 2.277 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.262 0.073 12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.865 0.585 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.660 -0.647 12.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.406 0.716 10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.804 -0.001 9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.116 1.691 9.311 1.00 0.00 H new ATOM 223 N GLU A 13 109.317 2.489 13.678 1.00 0.00 N ATOM 224 CA GLU A 13 108.865 2.518 15.069 1.00 0.00 C ATOM 225 C GLU A 13 107.375 2.844 15.148 1.00 0.00 C ATOM 226 O GLU A 13 106.643 2.261 15.944 1.00 0.00 O ATOM 227 CB GLU A 13 109.662 3.565 15.846 1.00 0.00 C ATOM 228 CG GLU A 13 111.123 3.125 15.949 1.00 0.00 C ATOM 229 CD GLU A 13 111.953 4.226 16.599 1.00 0.00 C ATOM 230 OE1 GLU A 13 113.138 4.008 16.796 1.00 0.00 O ATOM 231 OE2 GLU A 13 111.395 5.272 16.886 1.00 0.00 O ATOM 0 H GLU A 13 110.004 3.202 13.434 1.00 0.00 H new ATOM 0 HA GLU A 13 109.028 1.533 15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.597 4.531 15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.239 3.693 16.842 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.195 2.209 16.535 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.515 2.900 14.957 1.00 0.00 H new ATOM 238 N GLN A 14 106.939 3.786 14.331 1.00 0.00 N ATOM 239 CA GLN A 14 105.544 4.200 14.320 1.00 0.00 C ATOM 240 C GLN A 14 104.658 3.081 13.804 1.00 0.00 C ATOM 241 O GLN A 14 103.953 2.444 14.573 1.00 0.00 O ATOM 242 CB GLN A 14 105.374 5.437 13.435 1.00 0.00 C ATOM 243 CG GLN A 14 103.949 5.991 13.584 1.00 0.00 C ATOM 244 CD GLN A 14 103.736 6.495 15.010 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.634 7.103 15.592 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.598 6.277 15.609 1.00 0.00 N ATOM 0 H GLN A 14 107.531 4.281 13.664 1.00 0.00 H new ATOM 0 HA GLN A 14 105.248 4.440 15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 14 106.101 6.199 13.715 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.567 5.180 12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.788 6.802 12.874 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.221 5.214 13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.855 5.773 15.125 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.451 6.611 16.562 1.00 0.00 H new ATOM 255 N LEU A 15 104.686 2.857 12.492 1.00 0.00 N ATOM 256 CA LEU A 15 103.851 1.825 11.891 1.00 0.00 C ATOM 257 C LEU A 15 103.746 0.624 12.831 1.00 0.00 C ATOM 258 O LEU A 15 102.654 0.105 13.074 1.00 0.00 O ATOM 259 CB LEU A 15 104.480 1.372 10.561 1.00 0.00 C ATOM 260 CG LEU A 15 103.401 0.865 9.604 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.597 -0.236 10.282 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.467 2.028 9.229 1.00 0.00 C ATOM 0 H LEU A 15 105.271 3.371 11.833 1.00 0.00 H new ATOM 0 HA LEU A 15 102.855 2.230 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.018 2.203 10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.209 0.584 10.747 1.00 0.00 H new ATOM 0 HG LEU A 15 103.869 0.468 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.828 -0.598 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.260 -1.059 10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.127 0.159 11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.696 1.670 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.999 2.424 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.043 2.816 8.744 1.00 0.00 H new ATOM 274 N LYS A 16 104.864 0.214 13.390 1.00 0.00 N ATOM 275 CA LYS A 16 104.859 -0.901 14.325 1.00 0.00 C ATOM 276 C LYS A 16 103.993 -0.586 15.544 1.00 0.00 C ATOM 277 O LYS A 16 103.206 -1.422 15.993 1.00 0.00 O ATOM 278 CB LYS A 16 106.285 -1.220 14.772 1.00 0.00 C ATOM 279 CG LYS A 16 106.999 -2.027 13.687 1.00 0.00 C ATOM 280 CD LYS A 16 108.368 -2.490 14.196 1.00 0.00 C ATOM 281 CE LYS A 16 108.718 -3.836 13.570 1.00 0.00 C ATOM 282 NZ LYS A 16 107.631 -4.813 13.865 1.00 0.00 N ATOM 0 H LYS A 16 105.781 0.627 13.219 1.00 0.00 H new ATOM 0 HA LYS A 16 104.439 -1.769 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.829 -0.296 14.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.266 -1.784 15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.395 -2.890 13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.121 -1.419 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.129 -1.752 13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.353 -2.576 15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 16 108.843 -3.728 12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.666 -4.199 13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 107.923 -5.431 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 106.767 -4.300 14.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 107.444 -5.390 13.020 1.00 0.00 H new ATOM 296 N GLN A 17 104.118 0.631 16.058 1.00 0.00 N ATOM 297 CA GLN A 17 103.319 1.051 17.206 1.00 0.00 C ATOM 298 C GLN A 17 101.841 1.086 16.809 1.00 0.00 C ATOM 299 O GLN A 17 101.003 0.395 17.406 1.00 0.00 O ATOM 300 CB GLN A 17 103.780 2.433 17.673 1.00 0.00 C ATOM 301 CG GLN A 17 105.049 2.288 18.516 1.00 0.00 C ATOM 302 CD GLN A 17 104.707 1.672 19.868 1.00 0.00 C ATOM 303 OE1 GLN A 17 103.855 2.190 20.589 1.00 0.00 O ATOM 304 NE2 GLN A 17 105.323 0.588 20.257 1.00 0.00 N ATOM 0 H GLN A 17 104.759 1.341 15.703 1.00 0.00 H new ATOM 0 HA GLN A 17 103.449 0.344 18.025 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.973 3.074 16.813 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.995 2.912 18.258 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.773 1.662 17.994 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.515 3.263 18.658 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.029 0.160 19.658 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.098 0.170 21.160 1.00 0.00 H new ATOM 313 N ALA A 18 101.527 1.899 15.801 1.00 0.00 N ATOM 314 CA ALA A 18 100.158 2.018 15.321 1.00 0.00 C ATOM 315 C ALA A 18 99.573 0.632 15.078 1.00 0.00 C ATOM 316 O ALA A 18 98.361 0.464 14.972 1.00 0.00 O ATOM 317 CB ALA A 18 100.119 2.825 14.024 1.00 0.00 C ATOM 0 H ALA A 18 102.202 2.481 15.305 1.00 0.00 H new ATOM 0 HA ALA A 18 99.566 2.534 16.077 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.089 2.906 13.677 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.521 3.822 14.204 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.719 2.323 13.265 1.00 0.00 H new ATOM 323 N LEU A 19 100.452 -0.363 14.995 1.00 0.00 N ATOM 324 CA LEU A 19 100.023 -1.744 14.793 1.00 0.00 C ATOM 325 C LEU A 19 99.710 -2.413 16.131 1.00 0.00 C ATOM 326 O LEU A 19 98.674 -3.046 16.297 1.00 0.00 O ATOM 327 CB LEU A 19 101.100 -2.532 14.055 1.00 0.00 C ATOM 328 CG LEU A 19 100.655 -2.767 12.607 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.811 -3.370 11.812 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.467 -3.737 12.585 1.00 0.00 C ATOM 0 H LEU A 19 101.462 -0.240 15.064 1.00 0.00 H new ATOM 0 HA LEU A 19 99.116 -1.734 14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.043 -1.986 14.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.274 -3.486 14.553 1.00 0.00 H new ATOM 0 HG LEU A 19 100.359 -1.817 12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.496 -3.538 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.658 -2.684 11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.105 -4.319 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.152 -3.903 11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.764 -4.686 13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.640 -3.312 13.153 1.00 0.00 H new ATOM 342 N LYS A 20 100.623 -2.272 17.083 1.00 0.00 N ATOM 343 CA LYS A 20 100.435 -2.872 18.394 1.00 0.00 C ATOM 344 C LYS A 20 99.000 -2.675 18.870 1.00 0.00 C ATOM 345 O LYS A 20 98.439 -3.534 19.556 1.00 0.00 O ATOM 346 CB LYS A 20 101.397 -2.239 19.398 1.00 0.00 C ATOM 347 CG LYS A 20 101.295 -2.965 20.741 1.00 0.00 C ATOM 348 CD LYS A 20 102.365 -2.428 21.694 1.00 0.00 C ATOM 349 CE LYS A 20 102.324 -3.219 23.003 1.00 0.00 C ATOM 350 NZ LYS A 20 101.023 -2.984 23.688 1.00 0.00 N ATOM 0 H LYS A 20 101.493 -1.752 16.972 1.00 0.00 H new ATOM 0 HA LYS A 20 100.639 -3.940 18.318 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.418 -2.294 19.021 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.160 -1.183 19.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.304 -2.819 21.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.426 -4.038 20.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.351 -2.512 21.236 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.194 -1.370 21.891 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.453 -4.282 22.801 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.147 -2.915 23.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.093 -3.288 24.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.790 -1.971 23.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.276 -3.528 23.211 1.00 0.00 H new ATOM 364 N THR A 21 98.416 -1.545 18.498 1.00 0.00 N ATOM 365 CA THR A 21 97.039 -1.249 18.887 1.00 0.00 C ATOM 366 C THR A 21 96.074 -2.265 18.277 1.00 0.00 C ATOM 367 O THR A 21 95.050 -2.603 18.875 1.00 0.00 O ATOM 368 CB THR A 21 96.659 0.162 18.437 1.00 0.00 C ATOM 369 OG1 THR A 21 95.472 0.569 19.101 1.00 0.00 O ATOM 370 CG2 THR A 21 96.428 0.173 16.929 1.00 0.00 C ATOM 0 H THR A 21 98.865 -0.824 17.934 1.00 0.00 H new ATOM 0 HA THR A 21 96.968 -1.312 19.973 1.00 0.00 H new ATOM 0 HB THR A 21 97.467 0.850 18.685 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.230 1.474 18.813 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.157 1.179 16.610 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.340 -0.136 16.419 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.621 -0.516 16.679 1.00 0.00 H new ATOM 378 N ARG A 22 96.402 -2.742 17.082 1.00 0.00 N ATOM 379 CA ARG A 22 95.563 -3.713 16.394 1.00 0.00 C ATOM 380 C ARG A 22 95.652 -5.071 17.077 1.00 0.00 C ATOM 381 O ARG A 22 94.867 -5.974 16.785 1.00 0.00 O ATOM 382 CB ARG A 22 95.986 -3.838 14.924 1.00 0.00 C ATOM 383 CG ARG A 22 95.202 -2.838 14.069 1.00 0.00 C ATOM 384 CD ARG A 22 93.880 -3.470 13.635 1.00 0.00 C ATOM 385 NE ARG A 22 94.124 -4.508 12.643 1.00 0.00 N ATOM 386 CZ ARG A 22 94.377 -4.195 11.376 1.00 0.00 C ATOM 387 NH1 ARG A 22 94.590 -5.141 10.501 1.00 0.00 N ATOM 388 NH2 ARG A 22 94.411 -2.945 11.007 1.00 0.00 N ATOM 0 H ARG A 22 97.242 -2.472 16.571 1.00 0.00 H new ATOM 0 HA ARG A 22 94.531 -3.366 16.436 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.056 -3.652 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.805 -4.853 14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.013 -1.927 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.787 -2.554 13.194 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.370 -3.895 14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.222 -2.707 13.220 1.00 0.00 H new ATOM 0 HE ARG A 22 94.100 -5.488 12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.562 -6.119 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.784 -4.902 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 22 94.243 -2.207 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.605 -2.705 10.035 1.00 0.00 H new ATOM 402 N GLY A 23 96.613 -5.208 17.987 1.00 0.00 N ATOM 403 CA GLY A 23 96.796 -6.467 18.710 1.00 0.00 C ATOM 404 C GLY A 23 98.045 -7.195 18.231 1.00 0.00 C ATOM 405 O GLY A 23 98.139 -8.419 18.338 1.00 0.00 O ATOM 0 H GLY A 23 97.272 -4.472 18.241 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.874 -6.269 19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.923 -7.103 18.567 1.00 0.00 H new ATOM 409 N VAL A 24 99.001 -6.438 17.702 1.00 0.00 N ATOM 410 CA VAL A 24 100.241 -7.023 17.209 1.00 0.00 C ATOM 411 C VAL A 24 101.385 -6.762 18.184 1.00 0.00 C ATOM 412 O VAL A 24 101.242 -5.979 19.123 1.00 0.00 O ATOM 413 CB VAL A 24 100.600 -6.431 15.847 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.757 -7.215 15.222 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.378 -6.503 14.923 1.00 0.00 C ATOM 0 H VAL A 24 98.941 -5.424 17.604 1.00 0.00 H new ATOM 0 HA VAL A 24 100.091 -8.098 17.113 1.00 0.00 H new ATOM 0 HB VAL A 24 100.903 -5.392 15.978 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.005 -6.785 14.252 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.628 -7.162 15.876 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.463 -8.257 15.093 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.632 -6.081 13.951 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.076 -7.543 14.800 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.557 -5.936 15.361 1.00 0.00 H new ATOM 425 N LYS A 25 102.517 -7.425 17.959 1.00 0.00 N ATOM 426 CA LYS A 25 103.674 -7.251 18.823 1.00 0.00 C ATOM 427 C LYS A 25 104.797 -6.543 18.071 1.00 0.00 C ATOM 428 O LYS A 25 104.866 -6.611 16.844 1.00 0.00 O ATOM 429 CB LYS A 25 104.168 -8.608 19.322 1.00 0.00 C ATOM 430 CG LYS A 25 105.120 -8.404 20.503 1.00 0.00 C ATOM 431 CD LYS A 25 105.538 -9.765 21.063 1.00 0.00 C ATOM 432 CE LYS A 25 106.476 -9.563 22.254 1.00 0.00 C ATOM 433 NZ LYS A 25 106.828 -10.886 22.839 1.00 0.00 N ATOM 0 H LYS A 25 102.654 -8.082 17.191 1.00 0.00 H new ATOM 0 HA LYS A 25 103.378 -6.641 19.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.322 -9.225 19.626 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.678 -9.139 18.518 1.00 0.00 H new ATOM 0 HG2 LYS A 25 105.999 -7.845 20.183 1.00 0.00 H new ATOM 0 HG3 LYS A 25 104.633 -7.814 21.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 104.658 -10.328 21.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 106.036 -10.350 20.290 1.00 0.00 H new ATOM 0 HE2 LYS A 25 107.379 -9.043 21.935 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.996 -8.937 23.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 107.466 -10.749 23.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.962 -11.366 23.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 107.302 -11.469 22.120 1.00 0.00 H new ATOM 447 N VAL A 26 105.664 -5.857 18.813 1.00 0.00 N ATOM 448 CA VAL A 26 106.776 -5.132 18.203 1.00 0.00 C ATOM 449 C VAL A 26 108.083 -5.423 18.943 1.00 0.00 C ATOM 450 O VAL A 26 108.479 -4.692 19.850 1.00 0.00 O ATOM 451 CB VAL A 26 106.492 -3.629 18.230 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.161 -3.348 17.534 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.410 -3.154 19.685 1.00 0.00 C ATOM 0 H VAL A 26 105.619 -5.788 19.830 1.00 0.00 H new ATOM 0 HA VAL A 26 106.880 -5.465 17.170 1.00 0.00 H new ATOM 0 HB VAL A 26 107.293 -3.099 17.714 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.959 -2.277 17.554 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.212 -3.689 16.500 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.361 -3.877 18.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.208 -2.083 19.707 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.608 -3.686 20.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.356 -3.355 20.187 1.00 0.00 H new ATOM 463 N LYS A 27 108.749 -6.495 18.545 1.00 0.00 N ATOM 464 CA LYS A 27 110.012 -6.889 19.170 1.00 0.00 C ATOM 465 C LYS A 27 111.190 -6.647 18.234 1.00 0.00 C ATOM 466 O LYS A 27 111.012 -6.407 17.054 1.00 0.00 O ATOM 467 CB LYS A 27 109.973 -8.362 19.562 1.00 0.00 C ATOM 468 CG LYS A 27 109.537 -9.197 18.358 1.00 0.00 C ATOM 469 CD LYS A 27 109.737 -10.681 18.668 1.00 0.00 C ATOM 470 CE LYS A 27 109.106 -11.529 17.559 1.00 0.00 C ATOM 471 NZ LYS A 27 109.260 -12.973 17.891 1.00 0.00 N ATOM 0 H LYS A 27 108.440 -7.111 17.793 1.00 0.00 H new ATOM 0 HA LYS A 27 110.144 -6.277 20.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 110.956 -8.684 19.905 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.281 -8.511 20.391 1.00 0.00 H new ATOM 0 HG2 LYS A 27 108.490 -9.001 18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.117 -8.917 17.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.801 -10.905 18.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 109.284 -10.926 19.629 1.00 0.00 H new ATOM 0 HE2 LYS A 27 108.050 -11.280 17.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.583 -11.311 16.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.832 -13.550 17.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 110.271 -13.205 17.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.785 -13.174 18.794 1.00 0.00 H new ATOM 485 N TYR A 28 112.394 -6.707 18.767 1.00 0.00 N ATOM 486 CA TYR A 28 113.588 -6.500 17.948 1.00 0.00 C ATOM 487 C TYR A 28 113.673 -7.570 16.853 1.00 0.00 C ATOM 488 O TYR A 28 114.037 -7.281 15.706 1.00 0.00 O ATOM 489 CB TYR A 28 114.834 -6.564 18.828 1.00 0.00 C ATOM 490 CG TYR A 28 116.065 -6.412 17.968 1.00 0.00 C ATOM 491 CD1 TYR A 28 116.432 -5.148 17.492 1.00 0.00 C ATOM 492 CD2 TYR A 28 116.838 -7.533 17.646 1.00 0.00 C ATOM 493 CE1 TYR A 28 117.575 -5.005 16.696 1.00 0.00 C ATOM 494 CE2 TYR A 28 117.980 -7.391 16.850 1.00 0.00 C ATOM 495 CZ TYR A 28 118.348 -6.126 16.374 1.00 0.00 C ATOM 496 OH TYR A 28 119.474 -5.986 15.588 1.00 0.00 O ATOM 0 H TYR A 28 112.579 -6.895 19.752 1.00 0.00 H new ATOM 0 HA TYR A 28 113.527 -5.519 17.478 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.803 -5.775 19.579 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.866 -7.513 19.363 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.834 -4.283 17.739 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.553 -8.508 18.012 1.00 0.00 H new ATOM 0 HE1 TYR A 28 117.860 -4.029 16.331 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.577 -8.256 16.603 1.00 0.00 H new ATOM 0 HH TYR A 28 119.895 -6.862 15.461 1.00 0.00 H new ATOM 506 N ALA A 29 113.334 -8.802 17.221 1.00 0.00 N ATOM 507 CA ALA A 29 113.370 -9.913 16.278 1.00 0.00 C ATOM 508 C ALA A 29 112.474 -9.630 15.078 1.00 0.00 C ATOM 509 O ALA A 29 112.657 -10.198 14.001 1.00 0.00 O ATOM 510 CB ALA A 29 112.928 -11.208 16.960 1.00 0.00 C ATOM 0 H ALA A 29 113.032 -9.055 18.162 1.00 0.00 H new ATOM 0 HA ALA A 29 114.397 -10.028 15.930 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.961 -12.027 16.242 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.597 -11.428 17.792 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.910 -11.094 17.333 1.00 0.00 H new ATOM 516 N ASP A 30 111.496 -8.754 15.278 1.00 0.00 N ATOM 517 CA ASP A 30 110.567 -8.403 14.205 1.00 0.00 C ATOM 518 C ASP A 30 111.242 -7.529 13.166 1.00 0.00 C ATOM 519 O ASP A 30 111.090 -7.763 11.974 1.00 0.00 O ATOM 520 CB ASP A 30 109.343 -7.671 14.776 1.00 0.00 C ATOM 521 CG ASP A 30 108.310 -8.671 15.303 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.369 -9.819 14.896 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.484 -8.274 16.108 1.00 0.00 O ATOM 0 H ASP A 30 111.325 -8.277 16.163 1.00 0.00 H new ATOM 0 HA ASP A 30 110.244 -9.328 13.727 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.654 -7.005 15.580 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.892 -7.049 14.003 1.00 0.00 H new ATOM 528 N LEU A 31 111.988 -6.535 13.622 1.00 0.00 N ATOM 529 CA LEU A 31 112.666 -5.627 12.698 1.00 0.00 C ATOM 530 C LEU A 31 113.585 -6.414 11.778 1.00 0.00 C ATOM 531 O LEU A 31 113.640 -6.160 10.592 1.00 0.00 O ATOM 532 CB LEU A 31 113.498 -4.613 13.494 1.00 0.00 C ATOM 533 CG LEU A 31 112.602 -3.495 14.036 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.181 -3.833 15.465 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.371 -2.178 14.030 1.00 0.00 C ATOM 0 H LEU A 31 112.141 -6.334 14.610 1.00 0.00 H new ATOM 0 HA LEU A 31 111.919 -5.104 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.003 -5.115 14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.274 -4.189 12.856 1.00 0.00 H new ATOM 0 HG LEU A 31 111.717 -3.400 13.407 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.543 -3.039 15.854 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.632 -4.775 15.469 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.067 -3.927 16.093 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.733 -1.383 14.416 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.256 -2.271 14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.674 -1.938 13.011 1.00 0.00 H new ATOM 547 N LEU A 32 114.302 -7.366 12.321 1.00 0.00 N ATOM 548 CA LEU A 32 115.213 -8.153 11.495 1.00 0.00 C ATOM 549 C LEU A 32 114.515 -8.679 10.241 1.00 0.00 C ATOM 550 O LEU A 32 114.947 -8.416 9.123 1.00 0.00 O ATOM 551 CB LEU A 32 115.726 -9.345 12.302 1.00 0.00 C ATOM 552 CG LEU A 32 116.260 -8.852 13.652 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.794 -10.037 14.458 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.390 -7.848 13.413 1.00 0.00 C ATOM 0 H LEU A 32 114.282 -7.619 13.309 1.00 0.00 H new ATOM 0 HA LEU A 32 116.037 -7.506 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.923 -10.066 12.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.514 -9.859 11.752 1.00 0.00 H new ATOM 0 HG LEU A 32 115.454 -8.372 14.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.173 -9.684 15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.990 -10.754 14.627 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.600 -10.520 13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.772 -7.495 14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.194 -8.331 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.010 -7.002 12.840 1.00 0.00 H new ATOM 566 N LYS A 33 113.446 -9.439 10.442 1.00 0.00 N ATOM 567 CA LYS A 33 112.711 -10.014 9.321 1.00 0.00 C ATOM 568 C LYS A 33 111.977 -8.954 8.524 1.00 0.00 C ATOM 569 O LYS A 33 112.125 -8.869 7.317 1.00 0.00 O ATOM 570 CB LYS A 33 111.697 -11.043 9.832 1.00 0.00 C ATOM 571 CG LYS A 33 111.053 -11.767 8.647 1.00 0.00 C ATOM 572 CD LYS A 33 110.115 -12.859 9.166 1.00 0.00 C ATOM 573 CE LYS A 33 109.483 -13.595 7.982 1.00 0.00 C ATOM 574 NZ LYS A 33 108.556 -14.648 8.487 1.00 0.00 N ATOM 0 H LYS A 33 113.071 -9.671 11.362 1.00 0.00 H new ATOM 0 HA LYS A 33 113.440 -10.493 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.192 -11.762 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.930 -10.547 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.499 -11.058 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.823 -12.205 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.667 -13.561 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.338 -12.419 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.941 -12.891 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.260 -14.045 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 108.127 -15.148 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 109.086 -15.325 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.808 -14.207 9.059 1.00 0.00 H new ATOM 588 N PHE A 34 111.158 -8.164 9.203 1.00 0.00 N ATOM 589 CA PHE A 34 110.376 -7.132 8.523 1.00 0.00 C ATOM 590 C PHE A 34 111.259 -6.154 7.764 1.00 0.00 C ATOM 591 O PHE A 34 110.947 -5.756 6.643 1.00 0.00 O ATOM 592 CB PHE A 34 109.529 -6.357 9.545 1.00 0.00 C ATOM 593 CG PHE A 34 108.083 -6.744 9.412 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.469 -7.530 10.395 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.348 -6.310 8.302 1.00 0.00 C ATOM 596 CE1 PHE A 34 106.121 -7.883 10.269 1.00 0.00 C ATOM 597 CE2 PHE A 34 105.999 -6.663 8.176 1.00 0.00 C ATOM 598 CZ PHE A 34 105.385 -7.450 9.159 1.00 0.00 C ATOM 0 H PHE A 34 111.016 -8.213 10.212 1.00 0.00 H new ATOM 0 HA PHE A 34 109.732 -7.636 7.803 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.879 -6.569 10.555 1.00 0.00 H new ATOM 0 HB3 PHE A 34 109.643 -5.285 9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 34 108.036 -7.864 11.251 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.821 -5.704 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 34 105.648 -8.489 11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.431 -6.328 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 34 104.345 -7.723 9.061 1.00 0.00 H new ATOM 608 N PHE A 35 112.371 -5.776 8.374 1.00 0.00 N ATOM 609 CA PHE A 35 113.297 -4.832 7.753 1.00 0.00 C ATOM 610 C PHE A 35 114.019 -5.483 6.571 1.00 0.00 C ATOM 611 O PHE A 35 114.102 -4.909 5.484 1.00 0.00 O ATOM 612 CB PHE A 35 114.321 -4.356 8.786 1.00 0.00 C ATOM 613 CG PHE A 35 114.949 -3.076 8.313 1.00 0.00 C ATOM 614 CD1 PHE A 35 115.899 -3.094 7.285 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.577 -1.862 8.902 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.476 -1.898 6.845 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.155 -0.665 8.462 1.00 0.00 C ATOM 618 CZ PHE A 35 116.105 -0.683 7.434 1.00 0.00 C ATOM 0 H PHE A 35 112.657 -6.105 9.296 1.00 0.00 H new ATOM 0 HA PHE A 35 112.728 -3.978 7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.837 -4.202 9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.087 -5.117 8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.186 -4.031 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 35 113.844 -1.849 9.695 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.208 -1.912 6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 35 114.868 0.272 8.916 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.552 0.240 7.095 1.00 0.00 H new ATOM 628 N ASP A 36 114.549 -6.687 6.797 1.00 0.00 N ATOM 629 CA ASP A 36 115.271 -7.400 5.747 1.00 0.00 C ATOM 630 C ASP A 36 114.299 -7.987 4.728 1.00 0.00 C ATOM 631 O ASP A 36 114.680 -8.338 3.609 1.00 0.00 O ATOM 632 CB ASP A 36 116.120 -8.517 6.356 1.00 0.00 C ATOM 633 CG ASP A 36 117.243 -7.915 7.197 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.447 -6.716 7.109 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.881 -8.665 7.917 1.00 0.00 O ATOM 0 H ASP A 36 114.492 -7.182 7.687 1.00 0.00 H new ATOM 0 HA ASP A 36 115.924 -6.690 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.497 -9.163 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.539 -9.139 5.566 1.00 0.00 H new ATOM 640 N PHE A 37 113.044 -8.120 5.138 1.00 0.00 N ATOM 641 CA PHE A 37 112.023 -8.697 4.273 1.00 0.00 C ATOM 642 C PHE A 37 111.756 -7.810 3.068 1.00 0.00 C ATOM 643 O PHE A 37 111.873 -8.248 1.920 1.00 0.00 O ATOM 644 CB PHE A 37 110.717 -8.894 5.051 1.00 0.00 C ATOM 645 CG PHE A 37 109.577 -9.110 4.087 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.448 -8.285 4.139 1.00 0.00 C ATOM 647 CD2 PHE A 37 109.651 -10.136 3.137 1.00 0.00 C ATOM 648 CE1 PHE A 37 107.392 -8.485 3.241 1.00 0.00 C ATOM 649 CE2 PHE A 37 108.596 -10.336 2.239 1.00 0.00 C ATOM 650 CZ PHE A 37 107.467 -9.511 2.291 1.00 0.00 C ATOM 0 H PHE A 37 112.710 -7.838 6.059 1.00 0.00 H new ATOM 0 HA PHE A 37 112.393 -9.661 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.807 -9.750 5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.519 -8.022 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.391 -7.494 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 37 110.522 -10.773 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 37 106.521 -7.848 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 37 108.653 -11.127 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.653 -9.666 1.598 1.00 0.00 H new ATOM 660 N VAL A 38 111.407 -6.559 3.334 1.00 0.00 N ATOM 661 CA VAL A 38 111.135 -5.612 2.256 1.00 0.00 C ATOM 662 C VAL A 38 112.424 -5.185 1.571 1.00 0.00 C ATOM 663 O VAL A 38 112.439 -4.908 0.374 1.00 0.00 O ATOM 664 CB VAL A 38 110.413 -4.382 2.803 1.00 0.00 C ATOM 665 CG1 VAL A 38 108.929 -4.702 2.998 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.026 -3.996 4.151 1.00 0.00 C ATOM 0 H VAL A 38 111.306 -6.177 4.274 1.00 0.00 H new ATOM 0 HA VAL A 38 110.499 -6.108 1.523 1.00 0.00 H new ATOM 0 HB VAL A 38 110.517 -3.557 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.416 -3.823 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.489 -4.984 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.824 -5.527 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.514 -3.118 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 38 110.917 -4.825 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.084 -3.770 4.018 1.00 0.00 H new ATOM 676 N LYS A 39 113.505 -5.127 2.337 1.00 0.00 N ATOM 677 CA LYS A 39 114.798 -4.713 1.789 1.00 0.00 C ATOM 678 C LYS A 39 115.230 -5.657 0.672 1.00 0.00 C ATOM 679 O LYS A 39 115.916 -5.251 -0.264 1.00 0.00 O ATOM 680 CB LYS A 39 115.852 -4.708 2.893 1.00 0.00 C ATOM 681 CG LYS A 39 117.139 -4.072 2.373 1.00 0.00 C ATOM 682 CD LYS A 39 118.156 -3.971 3.511 1.00 0.00 C ATOM 683 CE LYS A 39 119.440 -3.318 2.993 1.00 0.00 C ATOM 684 NZ LYS A 39 120.441 -3.247 4.093 1.00 0.00 N ATOM 0 H LYS A 39 113.518 -5.358 3.330 1.00 0.00 H new ATOM 0 HA LYS A 39 114.697 -3.708 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.485 -4.154 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.048 -5.727 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.548 -4.669 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 116.930 -3.081 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.743 -3.384 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.374 -4.963 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 119.842 -3.893 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.226 -2.318 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.313 -2.803 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.057 -2.681 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.653 -4.207 4.432 1.00 0.00 H new ATOM 698 N ASP A 40 114.835 -6.922 0.782 1.00 0.00 N ATOM 699 CA ASP A 40 115.200 -7.910 -0.225 1.00 0.00 C ATOM 700 C ASP A 40 115.042 -7.333 -1.630 1.00 0.00 C ATOM 701 O ASP A 40 116.009 -7.259 -2.388 1.00 0.00 O ATOM 702 CB ASP A 40 114.308 -9.146 -0.085 1.00 0.00 C ATOM 703 CG ASP A 40 114.710 -10.198 -1.111 1.00 0.00 C ATOM 704 OD1 ASP A 40 114.117 -11.264 -1.100 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.608 -9.926 -1.891 1.00 0.00 O ATOM 0 H ASP A 40 114.269 -7.283 1.550 1.00 0.00 H new ATOM 0 HA ASP A 40 116.243 -8.187 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.395 -9.556 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.263 -8.869 -0.227 1.00 0.00 H new ATOM 710 N THR A 41 113.822 -6.930 -1.968 1.00 0.00 N ATOM 711 CA THR A 41 113.549 -6.362 -3.286 1.00 0.00 C ATOM 712 C THR A 41 113.138 -4.899 -3.172 1.00 0.00 C ATOM 713 O THR A 41 112.820 -4.259 -4.173 1.00 0.00 O ATOM 714 CB THR A 41 112.442 -7.159 -3.977 1.00 0.00 C ATOM 715 OG1 THR A 41 111.229 -7.012 -3.254 1.00 0.00 O ATOM 716 CG2 THR A 41 112.832 -8.638 -4.024 1.00 0.00 C ATOM 0 H THR A 41 113.010 -6.985 -1.353 1.00 0.00 H new ATOM 0 HA THR A 41 114.461 -6.419 -3.880 1.00 0.00 H new ATOM 0 HB THR A 41 112.306 -6.786 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.520 -7.522 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 41 112.043 -9.207 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.763 -8.751 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 41 112.968 -9.011 -3.009 1.00 0.00 H new ATOM 724 N CYS A 42 113.127 -4.384 -1.943 1.00 0.00 N ATOM 725 CA CYS A 42 112.729 -2.998 -1.707 1.00 0.00 C ATOM 726 C CYS A 42 111.574 -2.608 -2.620 1.00 0.00 C ATOM 727 O CYS A 42 111.704 -1.711 -3.447 1.00 0.00 O ATOM 728 CB CYS A 42 113.913 -2.070 -1.942 1.00 0.00 C ATOM 729 SG CYS A 42 115.378 -2.751 -1.127 1.00 0.00 S ATOM 0 H CYS A 42 113.387 -4.901 -1.103 1.00 0.00 H new ATOM 0 HA CYS A 42 112.399 -2.904 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.096 -1.959 -3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 42 113.694 -1.076 -1.551 1.00 0.00 H new ATOM 0 HG CYS A 42 115.336 -4.049 -1.173 1.00 0.00 H new ATOM 735 N PRO A 43 110.449 -3.263 -2.482 1.00 0.00 N ATOM 736 CA PRO A 43 109.241 -2.978 -3.310 1.00 0.00 C ATOM 737 C PRO A 43 108.744 -1.548 -3.126 1.00 0.00 C ATOM 738 O PRO A 43 108.049 -1.009 -3.988 1.00 0.00 O ATOM 739 CB PRO A 43 108.201 -3.979 -2.801 1.00 0.00 C ATOM 740 CG PRO A 43 108.979 -5.039 -2.108 1.00 0.00 C ATOM 741 CD PRO A 43 110.202 -4.353 -1.530 1.00 0.00 C ATOM 0 HA PRO A 43 109.448 -3.076 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.496 -3.501 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.619 -4.394 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.386 -5.506 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.267 -5.828 -2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.016 -3.976 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.052 -5.032 -1.464 1.00 0.00 H new ATOM 749 N TRP A 44 109.107 -0.939 -2.002 1.00 0.00 N ATOM 750 CA TRP A 44 108.698 0.433 -1.715 1.00 0.00 C ATOM 751 C TRP A 44 109.333 1.410 -2.708 1.00 0.00 C ATOM 752 O TRP A 44 109.523 2.587 -2.408 1.00 0.00 O ATOM 753 CB TRP A 44 109.098 0.807 -0.284 1.00 0.00 C ATOM 754 CG TRP A 44 107.889 0.783 0.589 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.303 1.872 1.135 1.00 0.00 C ATOM 756 CD2 TRP A 44 107.111 -0.366 1.033 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.215 1.467 1.886 1.00 0.00 N ATOM 758 CE2 TRP A 44 106.055 0.095 1.854 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.217 -1.750 0.805 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.137 -0.785 2.428 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.294 -2.639 1.381 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.257 -2.157 2.192 1.00 0.00 C ATOM 0 H TRP A 44 109.681 -1.370 -1.277 1.00 0.00 H new ATOM 0 HA TRP A 44 107.615 0.498 -1.816 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.845 0.108 0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.552 1.798 -0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.631 2.893 1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.605 2.103 2.400 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.013 -2.132 0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.339 -0.408 3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.384 -3.700 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.552 -2.845 2.634 1.00 0.00 H new ATOM 773 N PHE A 45 109.659 0.919 -3.893 1.00 0.00 N ATOM 774 CA PHE A 45 110.262 1.751 -4.909 1.00 0.00 C ATOM 775 C PHE A 45 111.616 2.274 -4.422 1.00 0.00 C ATOM 776 O PHE A 45 111.676 3.249 -3.680 1.00 0.00 O ATOM 777 CB PHE A 45 109.356 2.916 -5.267 1.00 0.00 C ATOM 778 CG PHE A 45 108.834 2.716 -6.675 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.724 2.649 -7.754 1.00 0.00 C ATOM 780 CD2 PHE A 45 107.456 2.604 -6.895 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.234 2.471 -9.053 1.00 0.00 C ATOM 782 CE2 PHE A 45 106.968 2.426 -8.194 1.00 0.00 C ATOM 783 CZ PHE A 45 107.856 2.358 -9.274 1.00 0.00 C ATOM 0 H PHE A 45 109.514 -0.052 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 45 110.409 1.145 -5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.526 2.979 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.905 3.855 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 45 110.787 2.735 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 45 106.770 2.655 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 45 109.920 2.421 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 45 105.905 2.341 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.479 2.219 -10.276 1.00 0.00 H new ATOM 793 N PRO A 46 112.697 1.633 -4.795 1.00 0.00 N ATOM 794 CA PRO A 46 114.065 2.029 -4.341 1.00 0.00 C ATOM 795 C PRO A 46 114.512 3.359 -4.928 1.00 0.00 C ATOM 796 O PRO A 46 115.563 3.885 -4.564 1.00 0.00 O ATOM 797 CB PRO A 46 114.951 0.879 -4.818 1.00 0.00 C ATOM 798 CG PRO A 46 114.217 0.242 -5.943 1.00 0.00 C ATOM 799 CD PRO A 46 112.741 0.481 -5.702 1.00 0.00 C ATOM 0 HA PRO A 46 114.110 2.183 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.925 1.245 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 46 115.131 0.165 -4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 46 114.526 0.670 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.432 -0.826 -5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.216 0.690 -6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.265 -0.393 -5.257 1.00 0.00 H new ATOM 807 N GLN A 47 113.713 3.895 -5.853 1.00 0.00 N ATOM 808 CA GLN A 47 114.066 5.161 -6.482 1.00 0.00 C ATOM 809 C GLN A 47 113.606 6.339 -5.631 1.00 0.00 C ATOM 810 O GLN A 47 114.419 7.148 -5.176 1.00 0.00 O ATOM 811 CB GLN A 47 113.391 5.245 -7.853 1.00 0.00 C ATOM 812 CG GLN A 47 113.883 4.095 -8.737 1.00 0.00 C ATOM 813 CD GLN A 47 115.364 4.276 -9.049 1.00 0.00 C ATOM 814 OE1 GLN A 47 115.775 5.343 -9.506 1.00 0.00 O ATOM 815 NE2 GLN A 47 116.195 3.294 -8.830 1.00 0.00 N ATOM 0 H GLN A 47 112.838 3.481 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 47 115.150 5.206 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 47 112.308 5.193 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 47 113.617 6.202 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 47 113.723 3.143 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 47 113.309 4.065 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 47 115.853 2.411 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 47 117.187 3.409 -9.037 1.00 0.00 H new ATOM 824 N GLU A 48 112.301 6.418 -5.407 1.00 0.00 N ATOM 825 CA GLU A 48 111.742 7.490 -4.588 1.00 0.00 C ATOM 826 C GLU A 48 111.573 7.048 -3.142 1.00 0.00 C ATOM 827 O GLU A 48 111.455 7.874 -2.240 1.00 0.00 O ATOM 828 CB GLU A 48 110.397 7.954 -5.164 1.00 0.00 C ATOM 829 CG GLU A 48 109.716 8.926 -4.189 1.00 0.00 C ATOM 830 CD GLU A 48 110.670 10.060 -3.813 1.00 0.00 C ATOM 831 OE1 GLU A 48 111.459 10.445 -4.660 1.00 0.00 O ATOM 832 OE2 GLU A 48 110.605 10.517 -2.683 1.00 0.00 O ATOM 0 H GLU A 48 111.614 5.761 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 48 112.441 8.326 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 48 110.553 8.441 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 109.752 7.094 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 108.815 9.336 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.404 8.392 -3.291 1.00 0.00 H new ATOM 839 N GLY A 49 111.518 5.740 -2.931 1.00 0.00 N ATOM 840 CA GLY A 49 111.319 5.200 -1.582 1.00 0.00 C ATOM 841 C GLY A 49 109.929 5.556 -1.064 1.00 0.00 C ATOM 842 O GLY A 49 109.793 6.301 -0.096 1.00 0.00 O ATOM 0 H GLY A 49 111.607 5.036 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 49 111.442 4.117 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.078 5.599 -0.909 1.00 0.00 H new ATOM 846 N THR A 50 108.900 5.027 -1.723 1.00 0.00 N ATOM 847 CA THR A 50 107.519 5.303 -1.332 1.00 0.00 C ATOM 848 C THR A 50 106.709 4.016 -1.250 1.00 0.00 C ATOM 849 O THR A 50 107.179 2.946 -1.639 1.00 0.00 O ATOM 850 CB THR A 50 106.868 6.244 -2.348 1.00 0.00 C ATOM 851 OG1 THR A 50 105.612 6.682 -1.848 1.00 0.00 O ATOM 852 CG2 THR A 50 106.665 5.502 -3.675 1.00 0.00 C ATOM 0 H THR A 50 108.996 4.407 -2.527 1.00 0.00 H new ATOM 0 HA THR A 50 107.533 5.773 -0.348 1.00 0.00 H new ATOM 0 HB THR A 50 107.513 7.107 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 50 105.743 7.140 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.201 6.172 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.630 5.167 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.019 4.639 -3.514 1.00 0.00 H new ATOM 860 N ILE A 51 105.487 4.126 -0.743 1.00 0.00 N ATOM 861 CA ILE A 51 104.618 2.965 -0.620 1.00 0.00 C ATOM 862 C ILE A 51 103.885 2.714 -1.937 1.00 0.00 C ATOM 863 O ILE A 51 103.424 3.650 -2.584 1.00 0.00 O ATOM 864 CB ILE A 51 103.593 3.188 0.489 1.00 0.00 C ATOM 865 CG1 ILE A 51 104.225 4.001 1.618 1.00 0.00 C ATOM 866 CG2 ILE A 51 103.138 1.834 1.042 1.00 0.00 C ATOM 867 CD1 ILE A 51 103.434 3.821 2.904 1.00 0.00 C ATOM 0 H ILE A 51 105.079 5.001 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 51 105.233 2.099 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 51 102.738 3.729 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 51 105.257 3.684 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 51 104.253 5.056 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.406 1.992 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.686 1.247 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.998 1.298 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.895 4.406 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 102.409 4.160 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 51 103.429 2.768 3.184 1.00 0.00 H new ATOM 879 N ASP A 52 103.780 1.451 -2.320 1.00 0.00 N ATOM 880 CA ASP A 52 103.097 1.086 -3.558 1.00 0.00 C ATOM 881 C ASP A 52 102.227 -0.150 -3.346 1.00 0.00 C ATOM 882 O ASP A 52 102.705 -1.205 -2.930 1.00 0.00 O ATOM 883 CB ASP A 52 104.124 0.803 -4.654 1.00 0.00 C ATOM 884 CG ASP A 52 103.422 0.418 -5.959 1.00 0.00 C ATOM 885 OD1 ASP A 52 104.074 0.415 -6.989 1.00 0.00 O ATOM 886 OD2 ASP A 52 102.237 0.131 -5.900 1.00 0.00 O ATOM 0 H ASP A 52 104.157 0.661 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 52 102.461 1.918 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.746 1.684 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.788 -0.002 -4.340 1.00 0.00 H new ATOM 891 N ILE A 53 100.943 -0.004 -3.640 1.00 0.00 N ATOM 892 CA ILE A 53 99.996 -1.107 -3.489 1.00 0.00 C ATOM 893 C ILE A 53 100.200 -2.162 -4.573 1.00 0.00 C ATOM 894 O ILE A 53 100.110 -3.360 -4.314 1.00 0.00 O ATOM 895 CB ILE A 53 98.556 -0.588 -3.550 1.00 0.00 C ATOM 896 CG1 ILE A 53 98.403 0.586 -2.568 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.588 -1.717 -3.158 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.859 0.159 -1.163 1.00 0.00 C ATOM 0 H ILE A 53 100.531 0.863 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 53 100.177 -1.565 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 53 98.327 -0.252 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.995 1.436 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 53 97.364 0.913 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.563 -1.349 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.703 -2.552 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.811 -2.052 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.747 0.996 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 53 98.249 -0.677 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.905 -0.146 -1.197 1.00 0.00 H new ATOM 910 N LYS A 54 100.460 -1.702 -5.793 1.00 0.00 N ATOM 911 CA LYS A 54 100.648 -2.618 -6.914 1.00 0.00 C ATOM 912 C LYS A 54 101.865 -3.521 -6.690 1.00 0.00 C ATOM 913 O LYS A 54 101.763 -4.755 -6.724 1.00 0.00 O ATOM 914 CB LYS A 54 100.845 -1.813 -8.207 1.00 0.00 C ATOM 915 CG LYS A 54 100.899 -2.767 -9.400 1.00 0.00 C ATOM 916 CD LYS A 54 101.104 -1.968 -10.686 1.00 0.00 C ATOM 917 CE LYS A 54 101.176 -2.926 -11.876 1.00 0.00 C ATOM 918 NZ LYS A 54 101.366 -2.146 -13.131 1.00 0.00 N ATOM 0 H LYS A 54 100.545 -0.713 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 54 99.761 -3.246 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 100.028 -1.102 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 54 101.766 -1.233 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 54 101.712 -3.482 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.975 -3.342 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 54 100.285 -1.262 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 54 102.021 -1.383 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 54 102.000 -3.627 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 54 100.262 -3.516 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 101.415 -2.797 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 100.566 -1.494 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 102.250 -1.601 -13.071 1.00 0.00 H new ATOM 932 N ARG A 55 103.013 -2.901 -6.452 1.00 0.00 N ATOM 933 CA ARG A 55 104.239 -3.651 -6.222 1.00 0.00 C ATOM 934 C ARG A 55 104.131 -4.472 -4.946 1.00 0.00 C ATOM 935 O ARG A 55 104.688 -5.567 -4.854 1.00 0.00 O ATOM 936 CB ARG A 55 105.440 -2.709 -6.143 1.00 0.00 C ATOM 937 CG ARG A 55 105.744 -2.145 -7.530 1.00 0.00 C ATOM 938 CD ARG A 55 106.947 -1.204 -7.442 1.00 0.00 C ATOM 939 NE ARG A 55 107.251 -0.653 -8.758 1.00 0.00 N ATOM 940 CZ ARG A 55 108.032 -1.306 -9.611 1.00 0.00 C ATOM 941 NH1 ARG A 55 108.291 -0.793 -10.783 1.00 0.00 N ATOM 942 NH2 ARG A 55 108.541 -2.462 -9.279 1.00 0.00 N ATOM 0 H ARG A 55 103.120 -1.887 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 55 104.385 -4.330 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 55 105.232 -1.896 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 55 106.309 -3.243 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.953 -2.956 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 55 104.876 -1.609 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.736 -0.396 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.812 -1.743 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 55 106.857 0.249 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 55 107.894 0.109 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 55 108.891 -1.295 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 55 108.339 -2.864 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 55 109.141 -2.963 -9.935 1.00 0.00 H new ATOM 956 N TRP A 56 103.414 -3.935 -3.959 1.00 0.00 N ATOM 957 CA TRP A 56 103.248 -4.622 -2.689 1.00 0.00 C ATOM 958 C TRP A 56 102.629 -6.001 -2.902 1.00 0.00 C ATOM 959 O TRP A 56 103.010 -6.979 -2.260 1.00 0.00 O ATOM 960 CB TRP A 56 102.363 -3.800 -1.758 1.00 0.00 C ATOM 961 CG TRP A 56 101.936 -4.639 -0.598 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.653 -4.898 -0.260 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.764 -5.332 0.380 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.640 -5.708 0.863 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.919 -6.002 1.294 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.156 -5.444 0.560 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.432 -6.756 2.350 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.677 -6.202 1.621 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.816 -6.857 2.515 1.00 0.00 C ATOM 0 H TRP A 56 102.944 -3.032 -4.018 1.00 0.00 H new ATOM 0 HA TRP A 56 104.231 -4.744 -2.235 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.906 -2.923 -1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.489 -3.437 -2.298 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.780 -4.533 -0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.791 -6.046 1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.827 -4.944 -0.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.764 -7.258 3.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.746 -6.281 1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.222 -7.438 3.329 1.00 0.00 H new ATOM 980 N ARG A 57 101.670 -6.066 -3.806 1.00 0.00 N ATOM 981 CA ARG A 57 101.002 -7.330 -4.110 1.00 0.00 C ATOM 982 C ARG A 57 101.980 -8.301 -4.764 1.00 0.00 C ATOM 983 O ARG A 57 101.929 -9.506 -4.518 1.00 0.00 O ATOM 984 CB ARG A 57 99.812 -7.098 -5.047 1.00 0.00 C ATOM 985 CG ARG A 57 98.710 -6.362 -4.283 1.00 0.00 C ATOM 986 CD ARG A 57 97.546 -6.069 -5.228 1.00 0.00 C ATOM 987 NE ARG A 57 96.496 -5.338 -4.526 1.00 0.00 N ATOM 988 CZ ARG A 57 95.557 -5.977 -3.837 1.00 0.00 C ATOM 989 NH1 ARG A 57 94.628 -5.301 -3.218 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.562 -7.281 -3.780 1.00 0.00 N ATOM 0 H ARG A 57 101.333 -5.267 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 57 100.641 -7.757 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 57 100.124 -6.514 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.438 -8.050 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.368 -6.967 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 57 99.099 -5.432 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.898 -5.486 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.146 -7.003 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 57 96.483 -4.319 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 57 94.623 -4.282 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 93.907 -5.792 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.287 -7.810 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 57 94.841 -7.771 -3.251 1.00 0.00 H new ATOM 1004 N ARG A 58 102.858 -7.768 -5.610 1.00 0.00 N ATOM 1005 CA ARG A 58 103.835 -8.611 -6.299 1.00 0.00 C ATOM 1006 C ARG A 58 104.747 -9.318 -5.302 1.00 0.00 C ATOM 1007 O ARG A 58 104.930 -10.533 -5.368 1.00 0.00 O ATOM 1008 CB ARG A 58 104.686 -7.752 -7.238 1.00 0.00 C ATOM 1009 CG ARG A 58 105.645 -8.646 -8.028 1.00 0.00 C ATOM 1010 CD ARG A 58 106.438 -7.794 -9.019 1.00 0.00 C ATOM 1011 NE ARG A 58 107.256 -8.647 -9.874 1.00 0.00 N ATOM 1012 CZ ARG A 58 106.727 -9.286 -10.912 1.00 0.00 C ATOM 1013 NH1 ARG A 58 107.478 -10.043 -11.664 1.00 0.00 N ATOM 1014 NH2 ARG A 58 105.456 -9.155 -11.182 1.00 0.00 N ATOM 0 H ARG A 58 102.915 -6.774 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 58 103.292 -9.364 -6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.043 -7.198 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.249 -7.017 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 58 106.325 -9.158 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 58 105.086 -9.416 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 58 105.755 -7.203 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 58 107.073 -7.092 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 58 108.250 -8.755 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 58 108.471 -10.144 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 58 107.072 -10.533 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 58 104.869 -8.562 -10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 58 105.051 -9.646 -11.979 1.00 0.00 H new ATOM 1028 N VAL A 59 105.308 -8.556 -4.377 1.00 0.00 N ATOM 1029 CA VAL A 59 106.199 -9.128 -3.364 1.00 0.00 C ATOM 1030 C VAL A 59 105.435 -10.075 -2.447 1.00 0.00 C ATOM 1031 O VAL A 59 105.931 -11.141 -2.085 1.00 0.00 O ATOM 1032 CB VAL A 59 106.841 -8.007 -2.537 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.755 -7.068 -2.020 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.589 -8.610 -1.347 1.00 0.00 C ATOM 0 H VAL A 59 105.168 -7.548 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 59 106.980 -9.693 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 59 107.538 -7.453 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.212 -6.272 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.218 -6.634 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.059 -7.627 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 59 108.044 -7.812 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.890 -9.166 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.366 -9.283 -1.709 1.00 0.00 H new ATOM 1044 N GLY A 60 104.225 -9.676 -2.067 1.00 0.00 N ATOM 1045 CA GLY A 60 103.404 -10.493 -1.185 1.00 0.00 C ATOM 1046 C GLY A 60 103.057 -11.819 -1.844 1.00 0.00 C ATOM 1047 O GLY A 60 103.207 -12.878 -1.242 1.00 0.00 O ATOM 0 H GLY A 60 103.795 -8.797 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.935 -10.674 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.489 -9.957 -0.933 1.00 0.00 H new ATOM 1051 N ASP A 61 102.587 -11.752 -3.085 1.00 0.00 N ATOM 1052 CA ASP A 61 102.219 -12.958 -3.819 1.00 0.00 C ATOM 1053 C ASP A 61 103.455 -13.789 -4.140 1.00 0.00 C ATOM 1054 O ASP A 61 103.416 -15.017 -4.106 1.00 0.00 O ATOM 1055 CB ASP A 61 101.503 -12.575 -5.121 1.00 0.00 C ATOM 1056 CG ASP A 61 100.008 -12.345 -4.866 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.492 -12.930 -3.927 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.411 -11.579 -5.604 1.00 0.00 O ATOM 0 H ASP A 61 102.452 -10.882 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 61 101.551 -13.552 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.950 -11.672 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.634 -13.365 -5.861 1.00 0.00 H new ATOM 1063 N CYS A 62 104.551 -13.110 -4.456 1.00 0.00 N ATOM 1064 CA CYS A 62 105.795 -13.797 -4.785 1.00 0.00 C ATOM 1065 C CYS A 62 106.311 -14.592 -3.588 1.00 0.00 C ATOM 1066 O CYS A 62 106.825 -15.703 -3.741 1.00 0.00 O ATOM 1067 CB CYS A 62 106.859 -12.782 -5.218 1.00 0.00 C ATOM 1068 SG CYS A 62 106.459 -12.152 -6.866 1.00 0.00 S ATOM 0 H CYS A 62 104.605 -12.092 -4.492 1.00 0.00 H new ATOM 0 HA CYS A 62 105.593 -14.487 -5.604 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.904 -11.960 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.843 -13.252 -5.226 1.00 0.00 H new ATOM 0 HG CYS A 62 105.621 -11.163 -6.761 1.00 0.00 H new ATOM 1074 N PHE A 63 106.159 -14.022 -2.399 1.00 0.00 N ATOM 1075 CA PHE A 63 106.605 -14.685 -1.180 1.00 0.00 C ATOM 1076 C PHE A 63 105.572 -15.700 -0.703 1.00 0.00 C ATOM 1077 O PHE A 63 105.922 -16.794 -0.264 1.00 0.00 O ATOM 1078 CB PHE A 63 106.857 -13.650 -0.085 1.00 0.00 C ATOM 1079 CG PHE A 63 108.305 -13.221 -0.120 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.183 -13.647 0.884 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.770 -12.401 -1.155 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.525 -13.251 0.853 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.112 -12.005 -1.185 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.990 -12.430 -0.181 1.00 0.00 C ATOM 0 H PHE A 63 105.733 -13.107 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 63 107.533 -15.214 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.207 -12.787 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.615 -14.071 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.825 -14.281 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.093 -12.074 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.202 -13.579 1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.470 -11.371 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.026 -12.125 -0.204 1.00 0.00 H new ATOM 1094 N GLN A 64 104.302 -15.325 -0.782 1.00 0.00 N ATOM 1095 CA GLN A 64 103.227 -16.205 -0.346 1.00 0.00 C ATOM 1096 C GLN A 64 103.145 -17.434 -1.241 1.00 0.00 C ATOM 1097 O GLN A 64 102.889 -18.541 -0.770 1.00 0.00 O ATOM 1098 CB GLN A 64 101.891 -15.457 -0.374 1.00 0.00 C ATOM 1099 CG GLN A 64 100.811 -16.299 0.312 1.00 0.00 C ATOM 1100 CD GLN A 64 101.066 -16.350 1.815 1.00 0.00 C ATOM 1101 OE1 GLN A 64 101.463 -15.349 2.411 1.00 0.00 O ATOM 1102 NE2 GLN A 64 100.856 -17.460 2.467 1.00 0.00 N ATOM 0 H GLN A 64 103.992 -14.422 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 64 103.439 -16.527 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.991 -14.496 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.602 -15.248 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 64 99.827 -15.873 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 64 100.809 -17.308 -0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 64 100.527 -18.288 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 64 101.021 -17.500 3.473 1.00 0.00 H new ATOM 1111 N ASP A 65 103.361 -17.231 -2.533 1.00 0.00 N ATOM 1112 CA ASP A 65 103.308 -18.331 -3.487 1.00 0.00 C ATOM 1113 C ASP A 65 104.442 -19.316 -3.233 1.00 0.00 C ATOM 1114 O ASP A 65 104.215 -20.520 -3.119 1.00 0.00 O ATOM 1115 CB ASP A 65 103.411 -17.787 -4.912 1.00 0.00 C ATOM 1116 CG ASP A 65 103.587 -18.936 -5.901 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.924 -18.666 -7.043 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.385 -20.070 -5.501 1.00 0.00 O ATOM 0 H ASP A 65 103.573 -16.322 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 65 102.358 -18.851 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.514 -17.219 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.254 -17.100 -4.987 1.00 0.00 H new ATOM 1123 N TYR A 66 105.663 -18.797 -3.142 1.00 0.00 N ATOM 1124 CA TYR A 66 106.825 -19.644 -2.898 1.00 0.00 C ATOM 1125 C TYR A 66 106.753 -20.266 -1.508 1.00 0.00 C ATOM 1126 O TYR A 66 107.123 -21.422 -1.312 1.00 0.00 O ATOM 1127 CB TYR A 66 108.108 -18.827 -3.037 1.00 0.00 C ATOM 1128 CG TYR A 66 109.300 -19.692 -2.705 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.107 -19.385 -1.602 1.00 0.00 C ATOM 1130 CD2 TYR A 66 109.599 -20.805 -3.501 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.211 -20.189 -1.297 1.00 0.00 C ATOM 1132 CE2 TYR A 66 110.703 -21.609 -3.195 1.00 0.00 C ATOM 1133 CZ TYR A 66 111.509 -21.301 -2.093 1.00 0.00 C ATOM 1134 OH TYR A 66 112.601 -22.088 -1.795 1.00 0.00 O ATOM 0 H TYR A 66 105.872 -17.803 -3.233 1.00 0.00 H new ATOM 0 HA TYR A 66 106.829 -20.445 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.197 -18.442 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.075 -17.965 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.877 -18.528 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 66 108.977 -21.043 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 66 111.833 -19.951 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 66 110.933 -22.467 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 66 112.665 -22.819 -2.445 1.00 0.00 H new ATOM 1144 N TYR A 67 106.281 -19.487 -0.545 1.00 0.00 N ATOM 1145 CA TYR A 67 106.167 -19.965 0.827 1.00 0.00 C ATOM 1146 C TYR A 67 105.106 -21.055 0.929 1.00 0.00 C ATOM 1147 O TYR A 67 105.254 -22.012 1.688 1.00 0.00 O ATOM 1148 CB TYR A 67 105.805 -18.808 1.762 1.00 0.00 C ATOM 1149 CG TYR A 67 105.664 -19.318 3.177 1.00 0.00 C ATOM 1150 CD1 TYR A 67 104.432 -19.228 3.834 1.00 0.00 C ATOM 1151 CD2 TYR A 67 106.766 -19.884 3.829 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.301 -19.705 5.144 1.00 0.00 C ATOM 1153 CE2 TYR A 67 106.635 -20.362 5.138 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.403 -20.272 5.797 1.00 0.00 C ATOM 1155 OH TYR A 67 105.273 -20.746 7.085 1.00 0.00 O ATOM 0 H TYR A 67 105.972 -18.525 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 67 107.130 -20.381 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.576 -18.038 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 67 104.873 -18.345 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 67 103.582 -18.791 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 67 107.717 -19.952 3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.350 -19.636 5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.485 -20.801 5.640 1.00 0.00 H new ATOM 0 HH TYR A 67 106.132 -21.108 7.389 1.00 0.00 H new ATOM 1165 N ASN A 68 104.024 -20.887 0.172 1.00 0.00 N ATOM 1166 CA ASN A 68 102.932 -21.848 0.199 1.00 0.00 C ATOM 1167 C ASN A 68 103.401 -23.224 -0.260 1.00 0.00 C ATOM 1168 O ASN A 68 103.005 -24.246 0.303 1.00 0.00 O ATOM 1169 CB ASN A 68 101.794 -21.379 -0.710 1.00 0.00 C ATOM 1170 CG ASN A 68 101.030 -20.242 -0.045 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.205 -19.989 1.147 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.187 -19.535 -0.748 1.00 0.00 N ATOM 0 H ASN A 68 103.883 -20.100 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 68 102.578 -21.921 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.196 -21.047 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.119 -22.209 -0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.672 -18.771 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.043 -19.746 -1.736 1.00 0.00 H new ATOM 1179 N THR A 69 104.233 -23.245 -1.291 1.00 0.00 N ATOM 1180 CA THR A 69 104.738 -24.511 -1.828 1.00 0.00 C ATOM 1181 C THR A 69 105.238 -25.413 -0.710 1.00 0.00 C ATOM 1182 O THR A 69 105.331 -26.630 -0.876 1.00 0.00 O ATOM 1183 CB THR A 69 105.874 -24.243 -2.824 1.00 0.00 C ATOM 1184 OG1 THR A 69 106.940 -23.587 -2.151 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.366 -23.354 -3.960 1.00 0.00 C ATOM 0 H THR A 69 104.573 -22.412 -1.772 1.00 0.00 H new ATOM 0 HA THR A 69 103.918 -25.015 -2.340 1.00 0.00 H new ATOM 0 HB THR A 69 106.225 -25.188 -3.238 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.765 -22.623 -2.122 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.176 -23.166 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.546 -23.854 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.014 -22.407 -3.551 1.00 0.00 H new ATOM 1193 N PHE A 70 105.554 -24.814 0.429 1.00 0.00 N ATOM 1194 CA PHE A 70 106.043 -25.578 1.567 1.00 0.00 C ATOM 1195 C PHE A 70 104.885 -26.026 2.454 1.00 0.00 C ATOM 1196 O PHE A 70 105.089 -26.407 3.609 1.00 0.00 O ATOM 1197 CB PHE A 70 107.019 -24.729 2.387 1.00 0.00 C ATOM 1198 CG PHE A 70 108.243 -24.430 1.559 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.353 -25.283 1.613 1.00 0.00 C ATOM 1200 CD2 PHE A 70 108.270 -23.299 0.734 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.487 -25.006 0.841 1.00 0.00 C ATOM 1202 CE2 PHE A 70 109.405 -23.022 -0.037 1.00 0.00 C ATOM 1203 CZ PHE A 70 110.513 -23.875 0.016 1.00 0.00 C ATOM 0 H PHE A 70 105.481 -23.809 0.589 1.00 0.00 H new ATOM 0 HA PHE A 70 106.558 -26.462 1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 70 106.539 -23.800 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 70 107.303 -25.258 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.334 -26.155 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 70 107.415 -22.640 0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 70 111.342 -25.665 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 70 109.426 -22.149 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 70 111.388 -23.661 -0.579 1.00 0.00 H new ATOM 1213 N GLY A 71 103.672 -25.955 1.915 1.00 0.00 N ATOM 1214 CA GLY A 71 102.482 -26.334 2.670 1.00 0.00 C ATOM 1215 C GLY A 71 102.594 -25.877 4.122 1.00 0.00 C ATOM 1216 O GLY A 71 102.541 -26.690 5.044 1.00 0.00 O ATOM 0 H GLY A 71 103.487 -25.640 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 71 101.598 -25.891 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 102.351 -27.416 2.633 1.00 0.00 H new ATOM 1220 N PRO A 72 102.747 -24.596 4.335 1.00 0.00 N ATOM 1221 CA PRO A 72 102.873 -24.016 5.701 1.00 0.00 C ATOM 1222 C PRO A 72 101.524 -23.869 6.398 1.00 0.00 C ATOM 1223 O PRO A 72 100.588 -23.292 5.843 1.00 0.00 O ATOM 1224 CB PRO A 72 103.506 -22.650 5.449 1.00 0.00 C ATOM 1225 CG PRO A 72 103.094 -22.265 4.064 1.00 0.00 C ATOM 1226 CD PRO A 72 102.809 -23.558 3.300 1.00 0.00 C ATOM 0 HA PRO A 72 103.460 -24.653 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.161 -21.917 6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.591 -22.699 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.208 -21.630 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.882 -21.694 3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.872 -23.493 2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.593 -23.770 2.573 1.00 0.00 H new ATOM 1234 N GLU A 73 101.436 -24.383 7.620 1.00 0.00 N ATOM 1235 CA GLU A 73 100.202 -24.292 8.387 1.00 0.00 C ATOM 1236 C GLU A 73 100.157 -22.994 9.183 1.00 0.00 C ATOM 1237 O GLU A 73 99.086 -22.510 9.545 1.00 0.00 O ATOM 1238 CB GLU A 73 100.087 -25.489 9.334 1.00 0.00 C ATOM 1239 CG GLU A 73 98.759 -25.418 10.090 1.00 0.00 C ATOM 1240 CD GLU A 73 98.559 -26.686 10.914 1.00 0.00 C ATOM 1241 OE1 GLU A 73 99.513 -27.432 11.058 1.00 0.00 O ATOM 1242 OE2 GLU A 73 97.453 -26.894 11.383 1.00 0.00 O ATOM 0 H GLU A 73 102.199 -24.863 8.097 1.00 0.00 H new ATOM 0 HA GLU A 73 99.362 -24.301 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.147 -26.420 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.919 -25.490 10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 73 98.749 -24.545 10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 73 97.936 -25.299 9.385 1.00 0.00 H new ATOM 1249 N LYS A 74 101.334 -22.447 9.472 1.00 0.00 N ATOM 1250 CA LYS A 74 101.420 -21.218 10.248 1.00 0.00 C ATOM 1251 C LYS A 74 100.826 -20.052 9.475 1.00 0.00 C ATOM 1252 O LYS A 74 100.026 -19.296 10.023 1.00 0.00 O ATOM 1253 CB LYS A 74 102.880 -20.910 10.584 1.00 0.00 C ATOM 1254 CG LYS A 74 103.624 -22.214 10.906 1.00 0.00 C ATOM 1255 CD LYS A 74 102.888 -22.959 12.019 1.00 0.00 C ATOM 1256 CE LYS A 74 103.757 -24.110 12.521 1.00 0.00 C ATOM 1257 NZ LYS A 74 103.055 -24.816 13.630 1.00 0.00 N ATOM 0 H LYS A 74 102.233 -22.832 9.183 1.00 0.00 H new ATOM 0 HA LYS A 74 100.854 -21.358 11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 74 103.358 -20.405 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 74 102.932 -20.231 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 74 103.687 -22.839 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 74 104.646 -21.995 11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 74 102.660 -22.277 12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 74 101.937 -23.342 11.648 1.00 0.00 H new ATOM 0 HE2 LYS A 74 103.965 -24.805 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 74 104.718 -23.730 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 103.647 -25.600 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 102.879 -24.150 14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 102.149 -25.192 13.284 1.00 0.00 H new ATOM 1271 N VAL A 75 101.220 -19.928 8.200 1.00 0.00 N ATOM 1272 CA VAL A 75 100.722 -18.851 7.344 1.00 0.00 C ATOM 1273 C VAL A 75 100.335 -17.632 8.181 1.00 0.00 C ATOM 1274 O VAL A 75 99.161 -17.434 8.486 1.00 0.00 O ATOM 1275 CB VAL A 75 99.519 -19.329 6.547 1.00 0.00 C ATOM 1276 CG1 VAL A 75 98.920 -18.156 5.774 1.00 0.00 C ATOM 1277 CG2 VAL A 75 99.976 -20.407 5.558 1.00 0.00 C ATOM 0 H VAL A 75 101.879 -20.559 7.744 1.00 0.00 H new ATOM 0 HA VAL A 75 101.518 -18.565 6.656 1.00 0.00 H new ATOM 0 HB VAL A 75 98.768 -19.738 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.058 -18.499 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 75 98.607 -17.381 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 75 99.668 -17.749 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.120 -20.757 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 75 100.723 -19.989 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.411 -21.243 6.106 1.00 0.00 H new ATOM 1287 N PRO A 76 101.294 -16.835 8.572 1.00 0.00 N ATOM 1288 CA PRO A 76 101.036 -15.626 9.410 1.00 0.00 C ATOM 1289 C PRO A 76 99.998 -14.714 8.770 1.00 0.00 C ATOM 1290 O PRO A 76 100.140 -14.291 7.625 1.00 0.00 O ATOM 1291 CB PRO A 76 102.409 -14.941 9.477 1.00 0.00 C ATOM 1292 CG PRO A 76 103.400 -16.027 9.216 1.00 0.00 C ATOM 1293 CD PRO A 76 102.719 -16.993 8.263 1.00 0.00 C ATOM 0 HA PRO A 76 100.633 -15.873 10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.490 -14.147 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.574 -14.483 10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.313 -15.625 8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.684 -16.527 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 76 102.933 -16.748 7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.053 -18.018 8.424 1.00 0.00 H new ATOM 1301 N VAL A 77 98.954 -14.411 9.525 1.00 0.00 N ATOM 1302 CA VAL A 77 97.883 -13.543 9.033 1.00 0.00 C ATOM 1303 C VAL A 77 98.279 -12.079 9.147 1.00 0.00 C ATOM 1304 O VAL A 77 97.714 -11.219 8.477 1.00 0.00 O ATOM 1305 CB VAL A 77 96.598 -13.796 9.818 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.475 -12.916 9.265 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.194 -15.282 9.694 1.00 0.00 C ATOM 0 H VAL A 77 98.821 -14.749 10.478 1.00 0.00 H new ATOM 0 HA VAL A 77 97.712 -13.775 7.982 1.00 0.00 H new ATOM 0 HB VAL A 77 96.767 -13.553 10.867 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.559 -13.099 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.755 -11.867 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.310 -13.155 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.277 -15.458 10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.030 -15.528 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 96.990 -15.910 10.094 1.00 0.00 H new ATOM 1317 N THR A 78 99.246 -11.801 10.010 1.00 0.00 N ATOM 1318 CA THR A 78 99.704 -10.431 10.213 1.00 0.00 C ATOM 1319 C THR A 78 99.901 -9.739 8.867 1.00 0.00 C ATOM 1320 O THR A 78 99.753 -8.523 8.760 1.00 0.00 O ATOM 1321 CB THR A 78 101.019 -10.433 10.995 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.030 -11.059 10.217 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.838 -11.200 12.310 1.00 0.00 C ATOM 0 H THR A 78 99.726 -12.499 10.578 1.00 0.00 H new ATOM 0 HA THR A 78 98.951 -9.887 10.783 1.00 0.00 H new ATOM 0 HB THR A 78 101.310 -9.406 11.215 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.873 -11.059 10.716 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.777 -11.199 12.864 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.063 -10.720 12.908 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.545 -12.227 12.095 1.00 0.00 H new ATOM 1331 N ALA A 79 100.243 -10.520 7.848 1.00 0.00 N ATOM 1332 CA ALA A 79 100.459 -9.969 6.518 1.00 0.00 C ATOM 1333 C ALA A 79 99.196 -9.272 6.010 1.00 0.00 C ATOM 1334 O ALA A 79 99.266 -8.274 5.288 1.00 0.00 O ATOM 1335 CB ALA A 79 100.838 -11.090 5.553 1.00 0.00 C ATOM 0 H ALA A 79 100.375 -11.529 7.918 1.00 0.00 H new ATOM 0 HA ALA A 79 101.266 -9.239 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.999 -10.675 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.753 -11.573 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.033 -11.824 5.514 1.00 0.00 H new ATOM 1341 N PHE A 80 98.043 -9.799 6.405 1.00 0.00 N ATOM 1342 CA PHE A 80 96.767 -9.225 5.999 1.00 0.00 C ATOM 1343 C PHE A 80 96.496 -7.911 6.725 1.00 0.00 C ATOM 1344 O PHE A 80 95.911 -6.986 6.159 1.00 0.00 O ATOM 1345 CB PHE A 80 95.630 -10.214 6.281 1.00 0.00 C ATOM 1346 CG PHE A 80 95.600 -11.268 5.203 1.00 0.00 C ATOM 1347 CD1 PHE A 80 94.721 -11.135 4.121 1.00 0.00 C ATOM 1348 CD2 PHE A 80 96.448 -12.379 5.282 1.00 0.00 C ATOM 1349 CE1 PHE A 80 94.690 -12.112 3.120 1.00 0.00 C ATOM 1350 CE2 PHE A 80 96.417 -13.356 4.281 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.538 -13.224 3.200 1.00 0.00 C ATOM 0 H PHE A 80 97.966 -10.621 7.004 1.00 0.00 H new ATOM 0 HA PHE A 80 96.817 -9.022 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.773 -10.680 7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.676 -9.687 6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 80 94.067 -10.278 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 80 97.126 -12.482 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 80 94.012 -12.009 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 80 97.072 -14.213 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.514 -13.979 2.428 1.00 0.00 H new ATOM 1361 N SER A 81 96.927 -7.835 7.980 1.00 0.00 N ATOM 1362 CA SER A 81 96.723 -6.630 8.776 1.00 0.00 C ATOM 1363 C SER A 81 97.575 -5.482 8.245 1.00 0.00 C ATOM 1364 O SER A 81 97.127 -4.336 8.196 1.00 0.00 O ATOM 1365 CB SER A 81 97.081 -6.904 10.235 1.00 0.00 C ATOM 1366 OG SER A 81 98.426 -7.354 10.315 1.00 0.00 O ATOM 0 H SER A 81 97.416 -8.587 8.465 1.00 0.00 H new ATOM 0 HA SER A 81 95.673 -6.345 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 81 96.953 -5.999 10.828 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.409 -7.655 10.651 1.00 0.00 H new ATOM 0 HG SER A 81 98.633 -7.907 9.533 1.00 0.00 H new ATOM 1372 N TYR A 82 98.804 -5.800 7.847 1.00 0.00 N ATOM 1373 CA TYR A 82 99.706 -4.787 7.320 1.00 0.00 C ATOM 1374 C TYR A 82 99.129 -4.158 6.066 1.00 0.00 C ATOM 1375 O TYR A 82 99.139 -2.944 5.923 1.00 0.00 O ATOM 1376 CB TYR A 82 101.065 -5.408 6.996 1.00 0.00 C ATOM 1377 CG TYR A 82 102.032 -5.136 8.119 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.797 -3.963 8.112 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.163 -6.051 9.172 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.693 -3.706 9.156 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.060 -5.793 10.215 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.825 -4.620 10.208 1.00 0.00 C ATOM 1383 OH TYR A 82 104.709 -4.366 11.236 1.00 0.00 O ATOM 0 H TYR A 82 99.193 -6.742 7.880 1.00 0.00 H new ATOM 0 HA TYR A 82 99.831 -4.015 8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.958 -6.483 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.451 -4.995 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.696 -3.257 7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 82 101.572 -6.955 9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 82 104.283 -2.802 9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 82 103.162 -6.499 11.026 1.00 0.00 H new ATOM 0 HH TYR A 82 104.676 -5.100 11.884 1.00 0.00 H new ATOM 1393 N TRP A 83 98.632 -4.993 5.159 1.00 0.00 N ATOM 1394 CA TRP A 83 98.060 -4.494 3.911 1.00 0.00 C ATOM 1395 C TRP A 83 96.909 -3.534 4.180 1.00 0.00 C ATOM 1396 O TRP A 83 96.800 -2.489 3.543 1.00 0.00 O ATOM 1397 CB TRP A 83 97.557 -5.665 3.064 1.00 0.00 C ATOM 1398 CG TRP A 83 96.703 -5.147 1.951 1.00 0.00 C ATOM 1399 CD1 TRP A 83 97.136 -4.352 0.946 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.283 -5.374 1.712 1.00 0.00 C ATOM 1401 NE1 TRP A 83 96.074 -4.076 0.105 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.910 -4.684 0.534 1.00 0.00 C ATOM 1403 CE3 TRP A 83 94.294 -6.104 2.394 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 93.602 -4.717 0.050 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 92.976 -6.140 1.910 1.00 0.00 C ATOM 1406 CH2 TRP A 83 92.631 -5.448 0.741 1.00 0.00 C ATOM 0 H TRP A 83 98.613 -6.008 5.261 1.00 0.00 H new ATOM 0 HA TRP A 83 98.841 -3.957 3.373 1.00 0.00 H new ATOM 0 HB2 TRP A 83 98.401 -6.223 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.985 -6.356 3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 83 98.146 -3.992 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 83 96.142 -3.494 -0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.549 -6.641 3.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.342 -4.182 -0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 92.224 -6.704 2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 83 91.616 -5.479 0.374 1.00 0.00 H new ATOM 1417 N ASN A 84 96.040 -3.904 5.114 1.00 0.00 N ATOM 1418 CA ASN A 84 94.892 -3.067 5.437 1.00 0.00 C ATOM 1419 C ASN A 84 95.332 -1.715 6.000 1.00 0.00 C ATOM 1420 O ASN A 84 94.809 -0.664 5.604 1.00 0.00 O ATOM 1421 CB ASN A 84 94.007 -3.784 6.469 1.00 0.00 C ATOM 1422 CG ASN A 84 93.206 -4.892 5.798 1.00 0.00 C ATOM 1423 OD1 ASN A 84 93.052 -4.895 4.576 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.685 -5.841 6.526 1.00 0.00 N ATOM 0 H ASN A 84 96.107 -4.767 5.654 1.00 0.00 H new ATOM 0 HA ASN A 84 94.331 -2.891 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.627 -4.203 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.330 -3.069 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.149 -6.587 6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.814 -5.837 7.538 1.00 0.00 H new ATOM 1431 N LEU A 85 96.299 -1.744 6.919 1.00 0.00 N ATOM 1432 CA LEU A 85 96.787 -0.524 7.520 1.00 0.00 C ATOM 1433 C LEU A 85 97.539 0.320 6.499 1.00 0.00 C ATOM 1434 O LEU A 85 97.307 1.519 6.371 1.00 0.00 O ATOM 1435 CB LEU A 85 97.706 -0.857 8.694 1.00 0.00 C ATOM 1436 CG LEU A 85 98.255 0.437 9.297 1.00 0.00 C ATOM 1437 CD1 LEU A 85 97.101 1.319 9.774 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.153 0.096 10.487 1.00 0.00 C ATOM 0 H LEU A 85 96.749 -2.596 7.254 1.00 0.00 H new ATOM 0 HA LEU A 85 95.932 0.050 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.158 -1.419 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.527 -1.491 8.358 1.00 0.00 H new ATOM 0 HG LEU A 85 98.828 0.972 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.499 2.239 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.455 1.561 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.525 0.786 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.547 1.015 10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.573 -0.440 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.980 -0.530 10.151 1.00 0.00 H new ATOM 1450 N ILE A 86 98.449 -0.313 5.774 1.00 0.00 N ATOM 1451 CA ILE A 86 99.236 0.390 4.770 1.00 0.00 C ATOM 1452 C ILE A 86 98.325 0.944 3.681 1.00 0.00 C ATOM 1453 O ILE A 86 98.556 2.037 3.163 1.00 0.00 O ATOM 1454 CB ILE A 86 100.281 -0.549 4.159 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.648 -0.286 4.811 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.387 -0.315 2.652 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.528 -1.521 4.654 1.00 0.00 C ATOM 0 H ILE A 86 98.661 -1.307 5.861 1.00 0.00 H new ATOM 0 HA ILE A 86 99.753 1.220 5.251 1.00 0.00 H new ATOM 0 HB ILE A 86 99.977 -1.580 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 86 102.126 0.576 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.520 -0.048 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 86 101.133 -0.989 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.421 -0.506 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.683 0.717 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.498 -1.337 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 86 102.050 -2.372 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.665 -1.738 3.595 1.00 0.00 H new ATOM 1469 N LYS A 87 97.308 0.168 3.328 1.00 0.00 N ATOM 1470 CA LYS A 87 96.389 0.579 2.280 1.00 0.00 C ATOM 1471 C LYS A 87 95.823 1.954 2.570 1.00 0.00 C ATOM 1472 O LYS A 87 95.758 2.799 1.676 1.00 0.00 O ATOM 1473 CB LYS A 87 95.242 -0.435 2.164 1.00 0.00 C ATOM 1474 CG LYS A 87 93.969 0.276 1.686 1.00 0.00 C ATOM 1475 CD LYS A 87 92.929 -0.758 1.277 1.00 0.00 C ATOM 1476 CE LYS A 87 91.641 -0.043 0.862 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.606 -1.052 0.508 1.00 0.00 N ATOM 0 H LYS A 87 97.102 -0.739 3.748 1.00 0.00 H new ATOM 0 HA LYS A 87 96.938 0.619 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.513 -1.226 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 87 95.064 -0.910 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.574 0.909 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 87 94.199 0.928 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.305 -1.362 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.730 -1.438 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 87 91.285 0.589 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.833 0.611 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.730 -0.567 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.947 -1.637 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.416 -1.658 1.332 1.00 0.00 H new ATOM 1491 N GLU A 88 95.402 2.173 3.809 1.00 0.00 N ATOM 1492 CA GLU A 88 94.831 3.453 4.181 1.00 0.00 C ATOM 1493 C GLU A 88 95.915 4.482 4.448 1.00 0.00 C ATOM 1494 O GLU A 88 95.652 5.686 4.473 1.00 0.00 O ATOM 1495 CB GLU A 88 93.958 3.272 5.430 1.00 0.00 C ATOM 1496 CG GLU A 88 94.767 3.559 6.701 1.00 0.00 C ATOM 1497 CD GLU A 88 94.790 5.056 6.987 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.852 5.567 7.299 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.741 5.671 6.884 1.00 0.00 O ATOM 0 H GLU A 88 95.446 1.487 4.563 1.00 0.00 H new ATOM 0 HA GLU A 88 94.223 3.818 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 88 93.099 3.942 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.568 2.255 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 88 94.330 3.027 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.785 3.189 6.583 1.00 0.00 H new ATOM 1506 N LEU A 89 97.133 4.002 4.694 1.00 0.00 N ATOM 1507 CA LEU A 89 98.224 4.901 5.008 1.00 0.00 C ATOM 1508 C LEU A 89 98.486 5.841 3.846 1.00 0.00 C ATOM 1509 O LEU A 89 98.711 7.034 4.032 1.00 0.00 O ATOM 1510 CB LEU A 89 99.481 4.088 5.310 1.00 0.00 C ATOM 1511 CG LEU A 89 100.382 4.834 6.297 1.00 0.00 C ATOM 1512 CD1 LEU A 89 100.679 6.232 5.772 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.678 4.933 7.660 1.00 0.00 C ATOM 0 H LEU A 89 97.379 3.012 4.681 1.00 0.00 H new ATOM 0 HA LEU A 89 97.954 5.495 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 89 99.203 3.119 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 89 100.026 3.895 4.386 1.00 0.00 H new ATOM 0 HG LEU A 89 101.319 4.289 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 89 101.321 6.758 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 89 101.184 6.159 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.745 6.781 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 89 100.319 5.464 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.739 5.474 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 89 99.476 3.931 8.039 1.00 0.00 H new ATOM 1525 N ILE A 90 98.467 5.293 2.645 1.00 0.00 N ATOM 1526 CA ILE A 90 98.723 6.102 1.467 1.00 0.00 C ATOM 1527 C ILE A 90 97.664 7.201 1.339 1.00 0.00 C ATOM 1528 O ILE A 90 97.975 8.346 1.010 1.00 0.00 O ATOM 1529 CB ILE A 90 98.704 5.225 0.207 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.913 4.287 0.248 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.774 6.112 -1.055 1.00 0.00 C ATOM 1532 CD1 ILE A 90 100.031 3.542 -1.089 1.00 0.00 C ATOM 0 H ILE A 90 98.280 4.307 2.460 1.00 0.00 H new ATOM 0 HA ILE A 90 99.706 6.561 1.571 1.00 0.00 H new ATOM 0 HB ILE A 90 97.782 4.645 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.822 4.857 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.805 3.574 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.760 5.482 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.917 6.786 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.694 6.696 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.892 2.874 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.126 2.959 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.159 4.262 -1.897 1.00 0.00 H new ATOM 1544 N ASP A 91 96.409 6.834 1.575 1.00 0.00 N ATOM 1545 CA ASP A 91 95.310 7.788 1.460 1.00 0.00 C ATOM 1546 C ASP A 91 95.444 8.882 2.510 1.00 0.00 C ATOM 1547 O ASP A 91 94.728 9.883 2.472 1.00 0.00 O ATOM 1548 CB ASP A 91 93.973 7.064 1.638 1.00 0.00 C ATOM 1549 CG ASP A 91 93.692 6.180 0.428 1.00 0.00 C ATOM 1550 OD1 ASP A 91 94.348 6.366 -0.583 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.823 5.329 0.530 1.00 0.00 O ATOM 0 H ASP A 91 96.128 5.891 1.845 1.00 0.00 H new ATOM 0 HA ASP A 91 95.346 8.244 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.996 6.458 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 91 93.170 7.791 1.762 1.00 0.00 H new ATOM 1556 N LYS A 92 96.364 8.685 3.447 1.00 0.00 N ATOM 1557 CA LYS A 92 96.582 9.663 4.503 1.00 0.00 C ATOM 1558 C LYS A 92 97.180 10.946 3.932 1.00 0.00 C ATOM 1559 O LYS A 92 98.121 10.906 3.138 1.00 0.00 O ATOM 1560 CB LYS A 92 97.528 9.091 5.563 1.00 0.00 C ATOM 1561 CG LYS A 92 97.287 9.792 6.903 1.00 0.00 C ATOM 1562 CD LYS A 92 98.157 9.144 7.981 1.00 0.00 C ATOM 1563 CE LYS A 92 97.875 9.810 9.329 1.00 0.00 C ATOM 1564 NZ LYS A 92 98.703 9.164 10.385 1.00 0.00 N ATOM 0 H LYS A 92 96.966 7.863 3.496 1.00 0.00 H new ATOM 0 HA LYS A 92 95.619 9.892 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 92 97.365 8.018 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 92 98.564 9.227 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 92 97.524 10.853 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 92 96.235 9.721 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.948 8.076 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 92 99.211 9.248 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 92 98.101 10.875 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 92 96.817 9.721 9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 98.108 8.953 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 99.109 8.281 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 99.471 9.807 10.666 1.00 0.00 H new ATOM 1578 N LYS A 93 96.630 12.082 4.345 1.00 0.00 N ATOM 1579 CA LYS A 93 97.113 13.374 3.873 1.00 0.00 C ATOM 1580 C LYS A 93 98.549 13.607 4.324 1.00 0.00 C ATOM 1581 O LYS A 93 99.310 14.309 3.660 1.00 0.00 O ATOM 1582 CB LYS A 93 96.219 14.498 4.399 1.00 0.00 C ATOM 1583 CG LYS A 93 96.425 15.758 3.552 1.00 0.00 C ATOM 1584 CD LYS A 93 95.420 16.828 3.980 1.00 0.00 C ATOM 1585 CE LYS A 93 95.565 18.053 3.077 1.00 0.00 C ATOM 1586 NZ LYS A 93 96.865 18.725 3.355 1.00 0.00 N ATOM 0 H LYS A 93 95.852 12.135 5.003 1.00 0.00 H new ATOM 0 HA LYS A 93 97.082 13.372 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 93 95.174 14.191 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 93 96.456 14.706 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.442 16.129 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 93 96.296 15.524 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 93 94.405 16.435 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 93 95.590 17.107 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 93 95.515 17.754 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 93 94.741 18.745 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 96.871 19.666 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 96.991 18.826 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 97.642 18.153 2.965 1.00 0.00 H new ATOM 1600 N GLU A 94 98.906 13.025 5.464 1.00 0.00 N ATOM 1601 CA GLU A 94 100.251 13.175 6.004 1.00 0.00 C ATOM 1602 C GLU A 94 101.275 12.467 5.121 1.00 0.00 C ATOM 1603 O GLU A 94 102.034 11.622 5.595 1.00 0.00 O ATOM 1604 CB GLU A 94 100.321 12.607 7.422 1.00 0.00 C ATOM 1605 CG GLU A 94 99.514 13.497 8.369 1.00 0.00 C ATOM 1606 CD GLU A 94 99.580 12.945 9.788 1.00 0.00 C ATOM 1607 OE1 GLU A 94 100.212 11.918 9.973 1.00 0.00 O ATOM 1608 OE2 GLU A 94 99.002 13.559 10.670 1.00 0.00 O ATOM 0 H GLU A 94 98.285 12.447 6.030 1.00 0.00 H new ATOM 0 HA GLU A 94 100.485 14.239 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 94 99.928 11.591 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 94 101.358 12.553 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 94 99.906 14.514 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 94 98.477 13.548 8.038 1.00 0.00 H new ATOM 1615 N VAL A 95 101.291 12.817 3.837 1.00 0.00 N ATOM 1616 CA VAL A 95 102.223 12.210 2.895 1.00 0.00 C ATOM 1617 C VAL A 95 103.271 13.226 2.453 1.00 0.00 C ATOM 1618 O VAL A 95 102.944 14.345 2.054 1.00 0.00 O ATOM 1619 CB VAL A 95 101.464 11.687 1.673 1.00 0.00 C ATOM 1620 CG1 VAL A 95 100.745 10.388 2.037 1.00 0.00 C ATOM 1621 CG2 VAL A 95 100.433 12.727 1.225 1.00 0.00 C ATOM 0 H VAL A 95 100.671 13.516 3.428 1.00 0.00 H new ATOM 0 HA VAL A 95 102.725 11.379 3.390 1.00 0.00 H new ATOM 0 HB VAL A 95 102.169 11.501 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 95 100.204 10.015 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 95 101.476 9.645 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 95 100.042 10.576 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 95 99.893 12.353 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 95 99.729 12.914 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 100.942 13.655 0.965 1.00 0.00 H new ATOM 1631 N ASN A 96 104.536 12.834 2.542 1.00 0.00 N ATOM 1632 CA ASN A 96 105.622 13.721 2.160 1.00 0.00 C ATOM 1633 C ASN A 96 105.634 13.943 0.649 1.00 0.00 C ATOM 1634 O ASN A 96 105.043 13.169 -0.106 1.00 0.00 O ATOM 1635 CB ASN A 96 106.962 13.129 2.605 1.00 0.00 C ATOM 1636 CG ASN A 96 107.510 13.916 3.793 1.00 0.00 C ATOM 1637 OD1 ASN A 96 108.648 14.543 3.683 1.00 0.00 O flip ATOM 1638 ND2 ASN A 96 106.881 13.954 4.850 1.00 0.00 N flip ATOM 0 H ASN A 96 104.831 11.915 2.873 1.00 0.00 H new ATOM 0 HA ASN A 96 105.469 14.682 2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 96 106.833 12.082 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 96 107.674 13.157 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 96 105.991 13.462 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 96 107.249 14.477 5.644 1.00 0.00 H new ATOM 1645 N PRO A 97 106.309 14.969 0.197 1.00 0.00 N ATOM 1646 CA PRO A 97 106.415 15.291 -1.255 1.00 0.00 C ATOM 1647 C PRO A 97 106.627 14.042 -2.101 1.00 0.00 C ATOM 1648 O PRO A 97 106.320 14.037 -3.293 1.00 0.00 O ATOM 1649 CB PRO A 97 107.627 16.215 -1.329 1.00 0.00 C ATOM 1650 CG PRO A 97 107.725 16.867 0.014 1.00 0.00 C ATOM 1651 CD PRO A 97 107.035 15.949 1.019 1.00 0.00 C ATOM 0 HA PRO A 97 105.504 15.745 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 97 108.533 15.654 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 97 107.504 16.958 -2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 97 108.768 17.023 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 97 107.249 17.848 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 97 107.760 15.460 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 97 106.355 16.507 1.662 1.00 0.00 H new ATOM 1659 N GLN A 98 107.150 12.991 -1.481 1.00 0.00 N ATOM 1660 CA GLN A 98 107.397 11.742 -2.195 1.00 0.00 C ATOM 1661 C GLN A 98 106.206 11.392 -3.075 1.00 0.00 C ATOM 1662 O GLN A 98 106.316 10.558 -3.965 1.00 0.00 O ATOM 1663 CB GLN A 98 107.643 10.612 -1.191 1.00 0.00 C ATOM 1664 CG GLN A 98 106.307 9.986 -0.790 1.00 0.00 C ATOM 1665 CD GLN A 98 106.459 9.225 0.522 1.00 0.00 C ATOM 1666 OE1 GLN A 98 106.167 7.954 0.567 1.00 0.00 O flip ATOM 1667 NE2 GLN A 98 106.854 9.804 1.534 1.00 0.00 N flip ATOM 0 H GLN A 98 107.410 12.977 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 98 108.278 11.867 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 98 108.294 9.856 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 98 108.154 10.999 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 98 105.550 10.763 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 98 105.963 9.311 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 98 107.082 10.798 1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.954 9.290 2.409 1.00 0.00 H new ATOM 1676 N VAL A 99 105.073 12.037 -2.826 1.00 0.00 N ATOM 1677 CA VAL A 99 103.871 11.782 -3.612 1.00 0.00 C ATOM 1678 C VAL A 99 104.105 12.149 -5.077 1.00 0.00 C ATOM 1679 O VAL A 99 103.762 11.386 -5.979 1.00 0.00 O ATOM 1680 CB VAL A 99 102.708 12.607 -3.060 1.00 0.00 C ATOM 1681 CG1 VAL A 99 101.470 12.394 -3.933 1.00 0.00 C ATOM 1682 CG2 VAL A 99 102.406 12.164 -1.629 1.00 0.00 C ATOM 0 H VAL A 99 104.961 12.736 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 99 103.630 10.721 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 99 102.977 13.663 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 99 100.641 12.982 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 99 101.686 12.709 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 99 101.199 11.338 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 99 101.577 12.751 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 99 102.137 11.108 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 99 103.288 12.317 -1.007 1.00 0.00 H new ATOM 1692 N MET A 100 104.696 13.318 -5.301 1.00 0.00 N ATOM 1693 CA MET A 100 104.976 13.776 -6.658 1.00 0.00 C ATOM 1694 C MET A 100 106.012 12.874 -7.321 1.00 0.00 C ATOM 1695 O MET A 100 105.948 12.611 -8.522 1.00 0.00 O ATOM 1696 CB MET A 100 105.479 15.220 -6.633 1.00 0.00 C ATOM 1697 CG MET A 100 105.707 15.706 -8.066 1.00 0.00 C ATOM 1698 SD MET A 100 106.064 17.481 -8.048 1.00 0.00 S ATOM 1699 CE MET A 100 107.831 17.355 -7.679 1.00 0.00 C ATOM 0 H MET A 100 104.989 13.962 -4.566 1.00 0.00 H new ATOM 0 HA MET A 100 104.053 13.732 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 100 104.753 15.860 -6.132 1.00 0.00 H new ATOM 0 HB3 MET A 100 106.407 15.283 -6.064 1.00 0.00 H new ATOM 0 HG2 MET A 100 106.536 15.162 -8.519 1.00 0.00 H new ATOM 0 HG3 MET A 100 104.824 15.507 -8.674 1.00 0.00 H new ATOM 0 HE1 MET A 100 108.270 18.352 -7.656 1.00 0.00 H new ATOM 0 HE2 MET A 100 107.967 16.877 -6.709 1.00 0.00 H new ATOM 0 HE3 MET A 100 108.322 16.760 -8.449 1.00 0.00 H new ATOM 1709 N ALA A 101 106.968 12.408 -6.530 1.00 0.00 N ATOM 1710 CA ALA A 101 108.015 11.538 -7.048 1.00 0.00 C ATOM 1711 C ALA A 101 107.542 10.085 -7.090 1.00 0.00 C ATOM 1712 O ALA A 101 108.113 9.249 -7.793 1.00 0.00 O ATOM 1713 CB ALA A 101 109.271 11.649 -6.172 1.00 0.00 C ATOM 0 H ALA A 101 107.041 12.616 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 101 108.252 11.855 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 101 110.049 10.995 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 101 109.627 12.679 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 101 109.030 11.352 -5.151 1.00 0.00 H new ATOM 1719 N ALA A 102 106.501 9.796 -6.326 1.00 0.00 N ATOM 1720 CA ALA A 102 105.951 8.443 -6.273 1.00 0.00 C ATOM 1721 C ALA A 102 105.268 8.108 -7.596 1.00 0.00 C ATOM 1722 O ALA A 102 105.525 7.060 -8.190 1.00 0.00 O ATOM 1723 CB ALA A 102 104.959 8.324 -5.117 1.00 0.00 C ATOM 0 H ALA A 102 106.019 10.473 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 102 106.763 7.735 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 102 104.555 7.312 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 102 105.468 8.540 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 102 104.145 9.035 -5.261 1.00 0.00 H new ATOM 1729 N VAL A 103 104.403 9.006 -8.050 1.00 0.00 N ATOM 1730 CA VAL A 103 103.692 8.803 -9.306 1.00 0.00 C ATOM 1731 C VAL A 103 104.684 8.728 -10.465 1.00 0.00 C ATOM 1732 O VAL A 103 104.549 7.885 -11.350 1.00 0.00 O ATOM 1733 CB VAL A 103 102.721 9.955 -9.548 1.00 0.00 C ATOM 1734 CG1 VAL A 103 102.259 9.939 -11.009 1.00 0.00 C ATOM 1735 CG2 VAL A 103 101.498 9.791 -8.636 1.00 0.00 C ATOM 0 H VAL A 103 104.178 9.878 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 103 103.137 7.867 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 103 103.221 10.899 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 103 101.566 10.762 -11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 103 103.123 10.049 -11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 103 101.760 8.994 -11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 103 100.803 10.613 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 103 101.003 8.845 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 103 101.818 9.798 -7.594 1.00 0.00 H new ATOM 1745 N ALA A 104 105.668 9.621 -10.448 1.00 0.00 N ATOM 1746 CA ALA A 104 106.675 9.655 -11.505 1.00 0.00 C ATOM 1747 C ALA A 104 107.070 8.241 -11.915 1.00 0.00 C ATOM 1748 O ALA A 104 107.153 7.932 -13.104 1.00 0.00 O ATOM 1749 CB ALA A 104 107.916 10.409 -11.023 1.00 0.00 C ATOM 0 H ALA A 104 105.790 10.326 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 104 106.249 10.168 -12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 104 108.661 10.429 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 104 107.641 11.430 -10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 104 108.331 9.906 -10.149 1.00 0.00 H new ATOM 1755 N GLN A 105 107.312 7.387 -10.926 1.00 0.00 N ATOM 1756 CA GLN A 105 107.697 6.006 -11.197 1.00 0.00 C ATOM 1757 C GLN A 105 106.547 5.055 -10.885 1.00 0.00 C ATOM 1758 O GLN A 105 106.463 4.510 -9.786 1.00 0.00 O ATOM 1759 CB GLN A 105 108.912 5.630 -10.347 1.00 0.00 C ATOM 1760 CG GLN A 105 110.089 6.535 -10.711 1.00 0.00 C ATOM 1761 CD GLN A 105 110.539 6.260 -12.141 1.00 0.00 C ATOM 1762 OE1 GLN A 105 110.938 5.140 -12.461 1.00 0.00 O ATOM 1763 NE2 GLN A 105 110.502 7.219 -13.025 1.00 0.00 N ATOM 0 H GLN A 105 107.249 7.624 -9.936 1.00 0.00 H new ATOM 0 HA GLN A 105 107.947 5.920 -12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 105 108.674 5.733 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 105 109.177 4.586 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 105 109.799 7.581 -10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 105 110.916 6.364 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 105 110.171 8.146 -12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 105 110.804 7.041 -13.983 1.00 0.00 H new ATOM 1772 N THR A 106 105.666 4.859 -11.863 1.00 0.00 N ATOM 1773 CA THR A 106 104.524 3.965 -11.690 1.00 0.00 C ATOM 1774 C THR A 106 104.623 2.776 -12.637 1.00 0.00 C ATOM 1775 O THR A 106 103.892 1.796 -12.493 1.00 0.00 O ATOM 1776 CB THR A 106 103.223 4.727 -11.955 1.00 0.00 C ATOM 1777 OG1 THR A 106 103.397 5.584 -13.075 1.00 0.00 O ATOM 1778 CG2 THR A 106 102.850 5.557 -10.726 1.00 0.00 C ATOM 0 H THR A 106 105.720 5.305 -12.779 1.00 0.00 H new ATOM 0 HA THR A 106 104.527 3.595 -10.665 1.00 0.00 H new ATOM 0 HB THR A 106 102.424 4.016 -12.162 1.00 0.00 H new ATOM 0 HG1 THR A 106 103.774 6.439 -12.778 1.00 0.00 H new ATOM 0 HG21 THR A 106 101.923 6.097 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 106 102.713 4.897 -9.869 1.00 0.00 H new ATOM 0 HG23 THR A 106 103.647 6.269 -10.512 1.00 0.00 H new ATOM 1786 N GLU A 107 105.531 2.867 -13.603 1.00 0.00 N ATOM 1787 CA GLU A 107 105.715 1.789 -14.570 1.00 0.00 C ATOM 1788 C GLU A 107 106.467 0.628 -13.930 1.00 0.00 C ATOM 1789 O GLU A 107 106.838 0.690 -12.759 1.00 0.00 O ATOM 1790 CB GLU A 107 106.506 2.303 -15.775 1.00 0.00 C ATOM 1791 CG GLU A 107 105.693 3.393 -16.485 1.00 0.00 C ATOM 1792 CD GLU A 107 106.526 4.024 -17.595 1.00 0.00 C ATOM 1793 OE1 GLU A 107 106.113 5.052 -18.107 1.00 0.00 O ATOM 1794 OE2 GLU A 107 107.567 3.474 -17.914 1.00 0.00 O ATOM 0 H GLU A 107 106.147 3.669 -13.738 1.00 0.00 H new ATOM 0 HA GLU A 107 104.735 1.442 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 107 107.467 2.703 -15.451 1.00 0.00 H new ATOM 0 HB3 GLU A 107 106.717 1.484 -16.463 1.00 0.00 H new ATOM 0 HG2 GLU A 107 104.781 2.965 -16.902 1.00 0.00 H new ATOM 0 HG3 GLU A 107 105.389 4.156 -15.769 1.00 0.00 H new ATOM 1801 N GLU A 108 106.698 -0.424 -14.713 1.00 0.00 N ATOM 1802 CA GLU A 108 107.417 -1.595 -14.218 1.00 0.00 C ATOM 1803 C GLU A 108 108.781 -1.699 -14.887 1.00 0.00 C ATOM 1804 O GLU A 108 108.880 -1.755 -16.112 1.00 0.00 O ATOM 1805 CB GLU A 108 106.606 -2.860 -14.495 1.00 0.00 C ATOM 1806 CG GLU A 108 105.349 -2.870 -13.621 1.00 0.00 C ATOM 1807 CD GLU A 108 105.732 -3.051 -12.155 1.00 0.00 C ATOM 1808 OE1 GLU A 108 104.925 -2.719 -11.303 1.00 0.00 O ATOM 1809 OE2 GLU A 108 106.831 -3.522 -11.908 1.00 0.00 O ATOM 0 H GLU A 108 106.400 -0.489 -15.686 1.00 0.00 H new ATOM 0 HA GLU A 108 107.560 -1.489 -13.143 1.00 0.00 H new ATOM 0 HB2 GLU A 108 106.328 -2.902 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 108 107.211 -3.743 -14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 108 104.800 -1.937 -13.749 1.00 0.00 H new ATOM 0 HG3 GLU A 108 104.685 -3.676 -13.934 1.00 0.00 H new ATOM 1816 N ILE A 109 109.829 -1.716 -14.076 1.00 0.00 N ATOM 1817 CA ILE A 109 111.183 -1.804 -14.603 1.00 0.00 C ATOM 1818 C ILE A 109 111.311 -2.976 -15.564 1.00 0.00 C ATOM 1819 O ILE A 109 112.099 -2.931 -16.508 1.00 0.00 O ATOM 1820 CB ILE A 109 112.184 -1.964 -13.447 1.00 0.00 C ATOM 1821 CG1 ILE A 109 111.785 -3.175 -12.592 1.00 0.00 C ATOM 1822 CG2 ILE A 109 112.181 -0.703 -12.576 1.00 0.00 C ATOM 1823 CD1 ILE A 109 112.884 -3.478 -11.575 1.00 0.00 C ATOM 0 H ILE A 109 109.769 -1.670 -13.059 1.00 0.00 H new ATOM 0 HA ILE A 109 111.403 -0.885 -15.147 1.00 0.00 H new ATOM 0 HB ILE A 109 113.183 -2.115 -13.856 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.846 -2.974 -12.077 1.00 0.00 H new ATOM 0 HG13 ILE A 109 111.619 -4.043 -13.230 1.00 0.00 H new ATOM 0 HG21 ILE A 109 112.892 -0.823 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 109 112.466 0.158 -13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.183 -0.545 -12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 109 112.594 -4.338 -10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 109 113.814 -3.699 -12.099 1.00 0.00 H new ATOM 0 HD13 ILE A 109 113.029 -2.613 -10.928 1.00 0.00 H new ATOM 1835 N LEU A 110 110.527 -4.022 -15.322 1.00 0.00 N ATOM 1836 CA LEU A 110 110.553 -5.204 -16.174 1.00 0.00 C ATOM 1837 C LEU A 110 110.055 -4.862 -17.576 1.00 0.00 C ATOM 1838 O LEU A 110 110.522 -5.430 -18.558 1.00 0.00 O ATOM 1839 CB LEU A 110 109.682 -6.303 -15.579 1.00 0.00 C ATOM 1840 CG LEU A 110 110.094 -6.547 -14.125 1.00 0.00 C ATOM 1841 CD1 LEU A 110 109.208 -7.631 -13.513 1.00 0.00 C ATOM 1842 CD2 LEU A 110 111.559 -7.000 -14.076 1.00 0.00 C ATOM 0 H LEU A 110 109.868 -4.075 -14.545 1.00 0.00 H new ATOM 0 HA LEU A 110 111.582 -5.557 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.632 -6.016 -15.628 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.789 -7.220 -16.158 1.00 0.00 H new ATOM 0 HG LEU A 110 109.978 -5.623 -13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 110 109.504 -7.802 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 110 108.167 -7.310 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 110 109.320 -8.555 -14.080 1.00 0.00 H new ATOM 0 HD21 LEU A 110 111.852 -7.174 -13.040 1.00 0.00 H new ATOM 0 HD22 LEU A 110 111.674 -7.923 -14.645 1.00 0.00 H new ATOM 0 HD23 LEU A 110 112.194 -6.226 -14.508 1.00 0.00 H new ATOM 1854 N LYS A 111 109.097 -3.939 -17.651 1.00 0.00 N ATOM 1855 CA LYS A 111 108.524 -3.526 -18.924 1.00 0.00 C ATOM 1856 C LYS A 111 109.583 -3.533 -20.013 1.00 0.00 C ATOM 1857 O LYS A 111 110.302 -2.550 -20.204 1.00 0.00 O ATOM 1858 CB LYS A 111 107.921 -2.122 -18.798 1.00 0.00 C ATOM 1859 CG LYS A 111 107.318 -1.702 -20.142 1.00 0.00 C ATOM 1860 CD LYS A 111 106.598 -0.363 -19.985 1.00 0.00 C ATOM 1861 CE LYS A 111 105.981 0.047 -21.323 1.00 0.00 C ATOM 1862 NZ LYS A 111 105.246 1.329 -21.162 1.00 0.00 N ATOM 0 H LYS A 111 108.702 -3.463 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 111 107.739 -4.232 -19.194 1.00 0.00 H new ATOM 0 HB2 LYS A 111 107.153 -2.113 -18.024 1.00 0.00 H new ATOM 0 HB3 LYS A 111 108.689 -1.411 -18.494 1.00 0.00 H new ATOM 0 HG2 LYS A 111 108.103 -1.618 -20.894 1.00 0.00 H new ATOM 0 HG3 LYS A 111 106.620 -2.463 -20.493 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.822 -0.443 -19.224 1.00 0.00 H new ATOM 0 HD3 LYS A 111 107.298 0.401 -19.647 1.00 0.00 H new ATOM 0 HE2 LYS A 111 106.761 0.156 -22.076 1.00 0.00 H new ATOM 0 HE3 LYS A 111 105.303 -0.730 -21.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 104.827 1.606 -22.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.492 1.210 -20.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 105.904 2.069 -20.844 1.00 0.00 H new ATOM 1876 N SER A 112 109.679 -4.655 -20.719 1.00 0.00 N ATOM 1877 CA SER A 112 110.660 -4.789 -21.783 1.00 0.00 C ATOM 1878 C SER A 112 110.243 -3.986 -23.006 1.00 0.00 C ATOM 1879 O SER A 112 111.022 -3.804 -23.943 1.00 0.00 O ATOM 1880 CB SER A 112 110.830 -6.260 -22.163 1.00 0.00 C ATOM 1881 OG SER A 112 109.573 -6.785 -22.566 1.00 0.00 O ATOM 0 H SER A 112 109.093 -5.477 -20.573 1.00 0.00 H new ATOM 0 HA SER A 112 111.611 -4.401 -21.419 1.00 0.00 H new ATOM 0 HB2 SER A 112 111.555 -6.358 -22.971 1.00 0.00 H new ATOM 0 HB3 SER A 112 111.219 -6.825 -21.316 1.00 0.00 H new ATOM 0 HG SER A 112 109.676 -7.728 -22.813 1.00 0.00 H new ATOM 1887 N ASN A 113 109.007 -3.515 -22.990 1.00 0.00 N ATOM 1888 CA ASN A 113 108.482 -2.733 -24.107 1.00 0.00 C ATOM 1889 C ASN A 113 109.282 -1.448 -24.284 1.00 0.00 C ATOM 1890 O ASN A 113 109.588 -1.050 -25.407 1.00 0.00 O ATOM 1891 CB ASN A 113 107.008 -2.387 -23.867 1.00 0.00 C ATOM 1892 CG ASN A 113 106.158 -3.647 -23.951 1.00 0.00 C ATOM 1893 OD1 ASN A 113 106.415 -4.516 -24.784 1.00 0.00 O ATOM 1894 ND2 ASN A 113 105.153 -3.799 -23.133 1.00 0.00 N ATOM 0 H ASN A 113 108.349 -3.657 -22.224 1.00 0.00 H new ATOM 0 HA ASN A 113 108.569 -3.333 -25.013 1.00 0.00 H new ATOM 0 HB2 ASN A 113 106.889 -1.923 -22.888 1.00 0.00 H new ATOM 0 HB3 ASN A 113 106.671 -1.661 -24.607 1.00 0.00 H new ATOM 0 HD21 ASN A 113 104.578 -4.640 -23.183 1.00 0.00 H new ATOM 0 HD22 ASN A 113 104.943 -3.077 -22.444 1.00 0.00 H new ATOM 1901 N SER A 114 109.621 -0.810 -23.169 1.00 0.00 N ATOM 1902 CA SER A 114 110.390 0.426 -23.210 1.00 0.00 C ATOM 1903 C SER A 114 110.620 0.969 -21.805 1.00 0.00 C ATOM 1904 O SER A 114 109.820 1.753 -21.296 1.00 0.00 O ATOM 1905 CB SER A 114 109.658 1.475 -24.048 1.00 0.00 C ATOM 1906 OG SER A 114 110.216 2.757 -23.795 1.00 0.00 O ATOM 0 H SER A 114 109.376 -1.127 -22.231 1.00 0.00 H new ATOM 0 HA SER A 114 111.356 0.207 -23.664 1.00 0.00 H new ATOM 0 HB2 SER A 114 109.742 1.233 -25.107 1.00 0.00 H new ATOM 0 HB3 SER A 114 108.596 1.474 -23.804 1.00 0.00 H new ATOM 0 HG SER A 114 110.925 2.939 -24.446 1.00 0.00 H new ATOM 1912 N GLN A 115 111.726 0.558 -21.185 1.00 0.00 N ATOM 1913 CA GLN A 115 112.054 1.023 -19.843 1.00 0.00 C ATOM 1914 C GLN A 115 113.429 0.523 -19.422 1.00 0.00 C ATOM 1915 O GLN A 115 114.314 0.346 -20.252 1.00 0.00 O ATOM 1916 CB GLN A 115 111.003 0.539 -18.851 1.00 0.00 C ATOM 1917 CG GLN A 115 110.801 1.595 -17.753 1.00 0.00 C ATOM 1918 CD GLN A 115 109.752 1.121 -16.753 1.00 0.00 C ATOM 1919 OE1 GLN A 115 108.820 0.409 -17.123 1.00 0.00 O ATOM 1920 NE2 GLN A 115 109.850 1.475 -15.500 1.00 0.00 N ATOM 0 H GLN A 115 112.403 -0.090 -21.588 1.00 0.00 H new ATOM 0 HA GLN A 115 112.067 2.113 -19.851 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.061 0.352 -19.367 1.00 0.00 H new ATOM 0 HB3 GLN A 115 111.316 -0.406 -18.407 1.00 0.00 H new ATOM 0 HG2 GLN A 115 111.744 1.782 -17.240 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.488 2.539 -18.199 1.00 0.00 H new ATOM 0 HE21 GLN A 115 110.624 2.066 -15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 115 109.153 1.161 -14.825 1.00 0.00 H new ATOM 1929 N THR A 116 113.601 0.305 -18.127 1.00 0.00 N ATOM 1930 CA THR A 116 114.881 -0.166 -17.600 1.00 0.00 C ATOM 1931 C THR A 116 115.254 -1.510 -18.213 1.00 0.00 C ATOM 1932 O THR A 116 116.401 -1.729 -18.602 1.00 0.00 O ATOM 1933 CB THR A 116 114.807 -0.302 -16.074 1.00 0.00 C ATOM 1934 OG1 THR A 116 114.224 0.873 -15.528 1.00 0.00 O ATOM 1935 CG2 THR A 116 116.214 -0.484 -15.509 1.00 0.00 C ATOM 0 H THR A 116 112.877 0.445 -17.422 1.00 0.00 H new ATOM 0 HA THR A 116 115.646 0.565 -17.862 1.00 0.00 H new ATOM 0 HB THR A 116 114.199 -1.168 -15.812 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.173 0.790 -14.553 1.00 0.00 H new ATOM 0 HG21 THR A 116 116.161 -0.581 -14.425 1.00 0.00 H new ATOM 0 HG22 THR A 116 116.662 -1.383 -15.932 1.00 0.00 H new ATOM 0 HG23 THR A 116 116.824 0.382 -15.767 1.00 0.00 H new ATOM 1943 N ASP A 117 114.279 -2.408 -18.299 1.00 0.00 N ATOM 1944 CA ASP A 117 114.521 -3.729 -18.868 1.00 0.00 C ATOM 1945 C ASP A 117 115.015 -3.606 -20.305 1.00 0.00 C ATOM 1946 O ASP A 117 115.978 -4.265 -20.698 1.00 0.00 O ATOM 1947 CB ASP A 117 113.231 -4.554 -18.835 1.00 0.00 C ATOM 1948 CG ASP A 117 113.469 -5.931 -19.454 1.00 0.00 C ATOM 1949 OD1 ASP A 117 114.537 -6.130 -20.008 1.00 0.00 O ATOM 1950 OD2 ASP A 117 112.584 -6.765 -19.360 1.00 0.00 O ATOM 0 H ASP A 117 113.322 -2.248 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 117 115.286 -4.230 -18.274 1.00 0.00 H new ATOM 0 HB2 ASP A 117 112.887 -4.664 -17.806 1.00 0.00 H new ATOM 0 HB3 ASP A 117 112.444 -4.033 -19.380 1.00 0.00 H new ATOM 1955 N LEU A 118 114.357 -2.757 -21.084 1.00 0.00 N ATOM 1956 CA LEU A 118 114.746 -2.556 -22.472 1.00 0.00 C ATOM 1957 C LEU A 118 114.032 -1.341 -23.055 1.00 0.00 C ATOM 1958 O LEU A 118 112.947 -1.466 -23.620 1.00 0.00 O ATOM 1959 CB LEU A 118 114.402 -3.799 -23.302 1.00 0.00 C ATOM 1960 CG LEU A 118 114.894 -3.614 -24.743 1.00 0.00 C ATOM 1961 CD1 LEU A 118 116.420 -3.483 -24.760 1.00 0.00 C ATOM 1962 CD2 LEU A 118 114.477 -4.821 -25.582 1.00 0.00 C ATOM 0 H LEU A 118 113.558 -2.201 -20.781 1.00 0.00 H new ATOM 0 HA LEU A 118 115.822 -2.386 -22.506 1.00 0.00 H new ATOM 0 HB2 LEU A 118 114.865 -4.682 -22.861 1.00 0.00 H new ATOM 0 HB3 LEU A 118 113.325 -3.966 -23.294 1.00 0.00 H new ATOM 0 HG LEU A 118 114.452 -2.709 -25.159 1.00 0.00 H new ATOM 0 HD11 LEU A 118 116.763 -3.352 -25.786 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.718 -2.620 -24.165 1.00 0.00 H new ATOM 0 HD13 LEU A 118 116.867 -4.384 -24.341 1.00 0.00 H new ATOM 0 HD21 LEU A 118 114.826 -4.690 -26.606 1.00 0.00 H new ATOM 0 HD22 LEU A 118 114.916 -5.726 -25.161 1.00 0.00 H new ATOM 0 HD23 LEU A 118 113.391 -4.909 -25.578 1.00 0.00 H new ATOM 1974 N GLU A 119 114.645 -0.170 -22.916 1.00 0.00 N ATOM 1975 CA GLU A 119 114.051 1.056 -23.432 1.00 0.00 C ATOM 1976 C GLU A 119 113.542 0.848 -24.856 1.00 0.00 C ATOM 1977 O GLU A 119 112.649 1.558 -25.316 1.00 0.00 O ATOM 1978 CB GLU A 119 115.098 2.179 -23.427 1.00 0.00 C ATOM 1979 CG GLU A 119 115.547 2.452 -21.992 1.00 0.00 C ATOM 1980 CD GLU A 119 114.407 3.085 -21.199 1.00 0.00 C ATOM 1981 OE1 GLU A 119 113.414 3.440 -21.812 1.00 0.00 O ATOM 1982 OE2 GLU A 119 114.543 3.207 -19.993 1.00 0.00 O ATOM 0 H GLU A 119 115.546 -0.045 -22.454 1.00 0.00 H new ATOM 0 HA GLU A 119 113.211 1.330 -22.793 1.00 0.00 H new ATOM 0 HB2 GLU A 119 115.954 1.895 -24.039 1.00 0.00 H new ATOM 0 HB3 GLU A 119 114.678 3.084 -23.866 1.00 0.00 H new ATOM 0 HG2 GLU A 119 115.859 1.522 -21.517 1.00 0.00 H new ATOM 0 HG3 GLU A 119 116.412 3.115 -21.993 1.00 0.00 H new ATOM 1989 N HIS A 120 114.112 -0.133 -25.550 1.00 0.00 N ATOM 1990 CA HIS A 120 113.702 -0.425 -26.918 1.00 0.00 C ATOM 1991 C HIS A 120 113.842 0.811 -27.798 1.00 0.00 C ATOM 1992 O HIS A 120 113.479 0.787 -28.974 1.00 0.00 O ATOM 1993 CB HIS A 120 112.249 -0.903 -26.937 1.00 0.00 C ATOM 1994 CG HIS A 120 111.905 -1.414 -28.309 1.00 0.00 C ATOM 1995 ND1 HIS A 120 111.357 -0.598 -29.287 1.00 0.00 N ATOM 1996 CD2 HIS A 120 112.027 -2.657 -28.882 1.00 0.00 C ATOM 1997 CE1 HIS A 120 111.171 -1.352 -30.386 1.00 0.00 C ATOM 1998 NE2 HIS A 120 111.563 -2.614 -30.193 1.00 0.00 N ATOM 0 H HIS A 120 114.853 -0.734 -25.190 1.00 0.00 H new ATOM 0 HA HIS A 120 114.349 -1.210 -27.309 1.00 0.00 H new ATOM 0 HB2 HIS A 120 112.105 -1.691 -26.198 1.00 0.00 H new ATOM 0 HB3 HIS A 120 111.583 -0.085 -26.665 1.00 0.00 H new ATOM 0 HD2 HIS A 120 112.423 -3.533 -28.390 1.00 0.00 H new ATOM 0 HE1 HIS A 120 110.755 -0.982 -31.311 1.00 0.00 H new ATOM 0 HE2 HIS A 120 111.529 -3.382 -30.863 1.00 0.00 H new ATOM 2007 N HIS A 121 114.372 1.886 -27.221 1.00 0.00 N ATOM 2008 CA HIS A 121 114.559 3.130 -27.959 1.00 0.00 C ATOM 2009 C HIS A 121 116.043 3.437 -28.119 1.00 0.00 C ATOM 2010 O HIS A 121 116.782 3.488 -27.137 1.00 0.00 O ATOM 2011 CB HIS A 121 113.874 4.283 -27.225 1.00 0.00 C ATOM 2012 CG HIS A 121 112.387 4.059 -27.220 1.00 0.00 C ATOM 2013 ND1 HIS A 121 111.480 3.936 -26.197 1.00 0.00 N flip ATOM 2014 CD2 HIS A 121 111.655 3.937 -28.392 1.00 0.00 C flip ATOM 2015 CE1 HIS A 121 110.205 3.742 -26.722 1.00 0.00 C flip ATOM 2016 NE2 HIS A 121 110.367 3.750 -28.048 1.00 0.00 N flip ATOM 0 H HIS A 121 114.678 1.920 -26.249 1.00 0.00 H new ATOM 0 HA HIS A 121 114.113 3.015 -28.947 1.00 0.00 H new ATOM 0 HB2 HIS A 121 114.246 4.350 -26.203 1.00 0.00 H new ATOM 0 HB3 HIS A 121 114.109 5.229 -27.712 1.00 0.00 H new ATOM 0 HD2 HIS A 121 112.047 3.984 -29.397 1.00 0.00 H new ATOM 0 HE1 HIS A 121 109.283 3.613 -26.175 1.00 0.00 H new ATOM 0 HE2 HIS A 121 109.607 3.629 -28.718 1.00 0.00 H new ATOM 2025 N HIS A 122 116.468 3.640 -29.363 1.00 0.00 N ATOM 2026 CA HIS A 122 117.867 3.945 -29.648 1.00 0.00 C ATOM 2027 C HIS A 122 118.001 5.341 -30.246 1.00 0.00 C ATOM 2028 O HIS A 122 117.277 5.702 -31.174 1.00 0.00 O ATOM 2029 CB HIS A 122 118.440 2.912 -30.619 1.00 0.00 C ATOM 2030 CG HIS A 122 118.514 1.573 -29.939 1.00 0.00 C ATOM 2031 ND1 HIS A 122 117.442 0.693 -29.917 1.00 0.00 N ATOM 2032 CD2 HIS A 122 119.526 0.947 -29.254 1.00 0.00 C ATOM 2033 CE1 HIS A 122 117.830 -0.402 -29.239 1.00 0.00 C ATOM 2034 NE2 HIS A 122 119.093 -0.299 -28.813 1.00 0.00 N ATOM 0 H HIS A 122 115.867 3.599 -30.186 1.00 0.00 H new ATOM 0 HA HIS A 122 118.425 3.910 -28.712 1.00 0.00 H new ATOM 0 HB2 HIS A 122 117.813 2.846 -31.508 1.00 0.00 H new ATOM 0 HB3 HIS A 122 119.432 3.219 -30.950 1.00 0.00 H new ATOM 0 HD2 HIS A 122 120.509 1.360 -29.083 1.00 0.00 H new ATOM 0 HE1 HIS A 122 117.198 -1.260 -29.061 1.00 0.00 H new ATOM 0 HE2 HIS A 122 119.625 -0.986 -28.279 1.00 0.00 H new ATOM 2043 N HIS A 123 118.932 6.123 -29.709 1.00 0.00 N ATOM 2044 CA HIS A 123 119.152 7.480 -30.200 1.00 0.00 C ATOM 2045 C HIS A 123 119.657 7.453 -31.639 1.00 0.00 C ATOM 2046 O HIS A 123 119.215 8.239 -32.477 1.00 0.00 O ATOM 2047 CB HIS A 123 120.174 8.194 -29.312 1.00 0.00 C ATOM 2048 CG HIS A 123 119.537 8.541 -27.995 1.00 0.00 C ATOM 2049 ND1 HIS A 123 119.206 7.576 -27.057 1.00 0.00 N ATOM 2050 CD2 HIS A 123 119.164 9.743 -27.445 1.00 0.00 C ATOM 2051 CE1 HIS A 123 118.661 8.207 -26.001 1.00 0.00 C ATOM 2052 NE2 HIS A 123 118.611 9.529 -26.186 1.00 0.00 N ATOM 0 H HIS A 123 119.542 5.844 -28.940 1.00 0.00 H new ATOM 0 HA HIS A 123 118.204 8.017 -30.170 1.00 0.00 H new ATOM 0 HB2 HIS A 123 121.042 7.554 -29.151 1.00 0.00 H new ATOM 0 HB3 HIS A 123 120.531 9.098 -29.805 1.00 0.00 H new ATOM 0 HD2 HIS A 123 119.282 10.707 -27.917 1.00 0.00 H new ATOM 0 HE1 HIS A 123 118.307 7.706 -25.112 1.00 0.00 H new ATOM 0 HE2 HIS A 123 118.246 10.231 -25.542 1.00 0.00 H new ATOM 2061 N HIS A 124 120.581 6.541 -31.920 1.00 0.00 N ATOM 2062 CA HIS A 124 121.137 6.416 -33.262 1.00 0.00 C ATOM 2063 C HIS A 124 120.079 5.913 -34.237 1.00 0.00 C ATOM 2064 O HIS A 124 120.035 6.339 -35.390 1.00 0.00 O ATOM 2065 CB HIS A 124 122.325 5.454 -33.252 1.00 0.00 C ATOM 2066 CG HIS A 124 123.506 6.123 -32.605 1.00 0.00 C ATOM 2067 ND1 HIS A 124 123.665 6.176 -31.228 1.00 0.00 N ATOM 2068 CD2 HIS A 124 124.595 6.771 -33.132 1.00 0.00 C ATOM 2069 CE1 HIS A 124 124.810 6.835 -30.977 1.00 0.00 C ATOM 2070 NE2 HIS A 124 125.417 7.220 -32.102 1.00 0.00 N ATOM 0 H HIS A 124 120.959 5.881 -31.241 1.00 0.00 H new ATOM 0 HA HIS A 124 121.473 7.401 -33.586 1.00 0.00 H new ATOM 0 HB2 HIS A 124 122.066 4.545 -32.709 1.00 0.00 H new ATOM 0 HB3 HIS A 124 122.575 5.157 -34.271 1.00 0.00 H new ATOM 0 HD2 HIS A 124 124.785 6.911 -34.186 1.00 0.00 H new ATOM 0 HE1 HIS A 124 125.192 7.029 -29.986 1.00 0.00 H new ATOM 0 HE2 HIS A 124 126.294 7.733 -32.188 1.00 0.00 H new ATOM 2079 N HIS A 125 119.231 5.005 -33.765 1.00 0.00 N ATOM 2080 CA HIS A 125 118.175 4.447 -34.604 1.00 0.00 C ATOM 2081 C HIS A 125 118.772 3.730 -35.811 1.00 0.00 C ATOM 2082 O HIS A 125 119.988 3.667 -35.896 1.00 0.00 O ATOM 2083 CB HIS A 125 117.241 5.562 -35.079 1.00 0.00 C ATOM 2084 CG HIS A 125 116.008 4.958 -35.689 1.00 0.00 C ATOM 2085 ND1 HIS A 125 115.944 4.604 -37.029 1.00 0.00 N ATOM 2086 CD2 HIS A 125 114.783 4.638 -35.158 1.00 0.00 C ATOM 2087 CE1 HIS A 125 114.718 4.098 -37.256 1.00 0.00 C ATOM 2088 NE2 HIS A 125 113.971 4.095 -36.149 1.00 0.00 N ATOM 2089 OXT HIS A 125 118.006 3.255 -36.632 1.00 0.00 O ATOM 0 H HIS A 125 119.253 4.641 -32.812 1.00 0.00 H new ATOM 0 HA HIS A 125 117.609 3.727 -34.013 1.00 0.00 H new ATOM 0 HB2 HIS A 125 116.968 6.204 -34.241 1.00 0.00 H new ATOM 0 HB3 HIS A 125 117.750 6.191 -35.809 1.00 0.00 H new ATOM 0 HD1 HIS A 125 116.690 4.708 -37.717 1.00 0.00 H new ATOM 0 HD2 HIS A 125 114.494 4.785 -34.128 1.00 0.00 H new ATOM 0 HE1 HIS A 125 114.379 3.738 -38.216 1.00 0.00 H new TER 2098 HIS A 125