USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 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 11 TYR OH : rot 24:sc= 1.08 USER MOD Set 1.2: A 106 THR OG1 : rot 84:sc= 2.17 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.58 K(o=2.7,f=-3.1) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -30:sc= -0.522 USER MOD Set 3.2: A 62 CYS SG : rot -137:sc= 0.811 USER MOD Set 4.1: A 17 GLN : amide:sc= 0.898 K(o=2,f=-4.4) USER MOD Set 4.2: A 20 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.859 K(o=0.86,f=0) USER MOD Single : A 6 SER OG : rot -26:sc= 0.159 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.25) USER MOD Single : A 14 GLN : amide:sc= -1.85 K(o=-1.9,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.08) USER MOD Single : A 21 THR OG1 : rot -29:sc= 0.0254 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc=-0.00807 (180deg=-0.112) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.08) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.598 (180deg=0.36) USER MOD Single : A 41 THR OG1 : rot -179:sc= 0.0476 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 50 THR OG1 : rot 64:sc= 0.272 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0427 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.214 F(o=-1,f=-0.21) USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.13 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 88:sc= 0.0344 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0651) USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= 0.901 (180deg=0.0792) USER MOD Single : A 96 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.187 K(o=0.19,f=-4!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 111 LYS NZ :NH3+ 145:sc= 0.835 (180deg=0.234) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.763 K(o=0.76,f=-0.11) USER MOD Single : A 114 SER OG : rot -109:sc= 0.931 USER MOD Single : A 115 GLN : amide:sc=-0.00076 X(o=-0.00076,f=0) USER MOD Single : A 116 THR OG1 : rot -41:sc= 0.886 USER MOD Single : A 120 HIS : no HE2:sc= 0.707 K(o=0.71,f=-3.9!) USER MOD Single : A 121 HIS : no HE2:sc= 0.361 K(o=0.36,f=-3!) USER MOD Single : A 122 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0.039) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.223 X(o=-0.22,f=0.032) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.312 0.814 0.697 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.831 1.203 0.707 1.00 25.00 O HETATM 3 C2 MYR A 1 0.929 0.142 -0.517 1.00 25.00 C HETATM 4 C3 MYR A 1 0.701 -1.401 -0.534 1.00 25.00 C HETATM 5 C4 MYR A 1 1.387 -2.106 0.670 1.00 25.00 C HETATM 6 C5 MYR A 1 1.172 -3.650 0.667 1.00 25.00 C HETATM 7 C6 MYR A 1 1.294 -4.265 2.098 1.00 25.00 C HETATM 8 C7 MYR A 1 0.036 -3.960 2.967 1.00 25.00 C HETATM 9 C8 MYR A 1 0.115 -4.578 4.385 1.00 25.00 C HETATM 10 C9 MYR A 1 -1.147 -4.184 5.202 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.466 -5.191 6.336 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.813 -4.822 7.019 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.255 -5.894 8.043 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.749 -5.714 8.427 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.197 -6.776 9.443 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.067 -7.769 9.012 1.00 25.00 H new HETATM 0 H142 MYR A 1 -4.595 -6.691 10.347 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.247 -6.622 9.691 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.901 -4.720 8.846 1.00 25.00 H new HETATM 0 H131 MYR A 1 -5.367 -5.781 7.532 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.101 -6.888 7.624 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.635 -5.826 8.937 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.713 -3.860 7.521 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.585 -4.706 6.259 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.520 -6.201 5.930 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.663 -5.186 7.073 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.001 -3.193 5.632 1.00 25.00 H new HETATM 0 H91 MYR A 1 -2.003 -4.117 4.530 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.190 -5.663 4.315 1.00 25.00 H new HETATM 0 H81 MYR A 1 1.013 -4.229 4.894 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.086 -2.880 3.054 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.850 -4.341 2.460 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.429 -5.344 2.020 1.00 25.00 H new HETATM 0 H61 MYR A 1 2.181 -3.867 2.590 1.00 25.00 H new HETATM 0 H52 MYR A 1 0.187 -3.877 0.258 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.906 -4.116 0.009 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.456 -1.892 0.650 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.996 -1.691 1.599 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.369 -1.609 -0.514 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.089 -1.814 -1.465 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.506 0.577 -1.422 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.999 0.347 -0.535 1.00 25.00 H new ATOM 43 N GLY A 2 1.132 1.010 1.756 1.00 25.00 N ATOM 44 CA GLY A 2 0.717 1.644 3.002 1.00 25.00 C ATOM 45 C GLY A 2 0.258 3.060 2.739 1.00 25.00 C ATOM 46 O GLY A 2 -0.723 3.534 3.307 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.090 1.071 3.459 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.546 1.648 3.710 1.00 25.00 H new ATOM 50 N GLN A 3 0.937 3.730 1.821 1.00 25.00 N ATOM 51 CA GLN A 3 0.562 5.092 1.453 1.00 25.00 C ATOM 52 C GLN A 3 -0.796 5.095 0.746 1.00 25.00 C ATOM 53 O GLN A 3 -1.607 5.990 0.956 1.00 25.00 O ATOM 54 CB GLN A 3 1.635 5.713 0.555 1.00 25.00 C ATOM 55 CG GLN A 3 2.990 5.850 1.250 1.00 25.00 C ATOM 56 CD GLN A 3 4.000 6.603 0.410 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.809 7.765 0.095 1.00 25.00 O ATOM 58 NE2 GLN A 3 5.078 5.955 0.059 1.00 25.00 N ATOM 0 H GLN A 3 1.744 3.360 1.319 1.00 25.00 H new ATOM 0 HA GLN A 3 0.481 5.691 2.360 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.752 5.100 -0.339 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.301 6.697 0.226 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.856 6.366 2.201 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.380 4.858 1.478 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.203 4.983 0.341 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.795 6.421 -0.497 1.00 25.00 H new ATOM 67 N GLU A 4 -1.064 4.063 -0.044 1.00 25.00 N ATOM 68 CA GLU A 4 -2.347 3.940 -0.736 1.00 25.00 C ATOM 69 C GLU A 4 -3.459 3.664 0.277 1.00 25.00 C ATOM 70 O GLU A 4 -4.569 4.158 0.131 1.00 25.00 O ATOM 71 CB GLU A 4 -2.271 2.839 -1.815 1.00 25.00 C ATOM 72 CG GLU A 4 -3.204 1.631 -1.615 1.00 25.00 C ATOM 73 CD GLU A 4 -2.943 0.536 -2.625 1.00 25.00 C ATOM 74 OE1 GLU A 4 -3.163 0.776 -3.829 1.00 25.00 O ATOM 75 OE2 GLU A 4 -2.528 -0.570 -2.218 1.00 25.00 O ATOM 0 H GLU A 4 -0.413 3.298 -0.223 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.578 4.878 -1.241 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.495 3.290 -2.782 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.244 2.476 -1.863 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.071 1.234 -0.609 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.241 1.957 -1.695 1.00 25.00 H new ATOM 82 N LEU A 5 -3.152 2.930 1.339 1.00 25.00 N ATOM 83 CA LEU A 5 -4.143 2.635 2.372 1.00 25.00 C ATOM 84 C LEU A 5 -4.545 3.922 3.093 1.00 25.00 C ATOM 85 O LEU A 5 -5.715 4.124 3.394 1.00 25.00 O ATOM 86 CB LEU A 5 -3.598 1.605 3.371 1.00 25.00 C ATOM 87 CG LEU A 5 -3.318 0.182 2.846 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.689 -0.665 3.957 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.580 -0.504 2.330 1.00 25.00 C ATOM 0 H LEU A 5 -2.230 2.529 1.509 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.026 2.208 1.896 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.671 1.998 3.787 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.308 1.526 4.194 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.628 0.274 2.007 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.493 -1.669 3.582 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.753 -0.208 4.277 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.373 -0.721 4.803 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.331 -1.503 1.971 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.309 -0.580 3.137 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.003 0.080 1.513 1.00 25.00 H new ATOM 101 N SER A 6 -3.588 4.821 3.306 1.00 25.00 N ATOM 102 CA SER A 6 -3.873 6.138 3.896 1.00 25.00 C ATOM 103 C SER A 6 -4.619 7.066 2.941 1.00 25.00 C ATOM 104 O SER A 6 -5.172 8.079 3.364 1.00 25.00 O ATOM 105 CB SER A 6 -2.570 6.837 4.298 1.00 25.00 C ATOM 106 OG SER A 6 -2.844 7.986 5.086 1.00 25.00 O ATOM 0 H SER A 6 -2.605 4.667 3.081 1.00 25.00 H new ATOM 0 HA SER A 6 -4.504 5.946 4.764 1.00 25.00 H new ATOM 0 HB2 SER A 6 -1.938 6.147 4.858 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.015 7.125 3.405 1.00 25.00 H new ATOM 0 HG SER A 6 -3.735 8.329 4.865 1.00 25.00 H new ATOM 112 N GLN A 7 -4.605 6.741 1.659 1.00 25.00 N ATOM 113 CA GLN A 7 -5.274 7.556 0.647 1.00 25.00 C ATOM 114 C GLN A 7 -6.670 6.993 0.364 1.00 25.00 C ATOM 115 O GLN A 7 -7.551 7.690 -0.133 1.00 25.00 O ATOM 116 CB GLN A 7 -4.417 7.562 -0.626 1.00 25.00 C ATOM 117 CG GLN A 7 -4.831 8.588 -1.667 1.00 25.00 C ATOM 118 CD GLN A 7 -3.819 8.697 -2.784 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.882 9.472 -2.707 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.993 7.914 -3.817 1.00 25.00 N ATOM 0 H GLN A 7 -4.136 5.914 1.289 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.390 8.579 1.004 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.379 7.746 -0.348 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.455 6.571 -1.078 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -5.801 8.314 -2.081 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -4.952 9.561 -1.190 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.790 7.278 -3.846 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.332 7.940 -4.593 1.00 25.00 H new ATOM 129 N HIS A 8 -6.868 5.723 0.686 1.00 25.00 N ATOM 130 CA HIS A 8 -8.137 5.049 0.424 1.00 25.00 C ATOM 131 C HIS A 8 -9.123 5.375 1.532 1.00 25.00 C ATOM 132 O HIS A 8 -9.065 4.807 2.613 1.00 25.00 O ATOM 133 CB HIS A 8 -7.913 3.538 0.318 1.00 25.00 C ATOM 134 CG HIS A 8 -8.979 2.822 -0.452 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.452 3.253 -1.696 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.673 1.682 -0.197 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.363 2.390 -2.130 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.509 1.440 -1.244 1.00 25.00 N ATOM 0 H HIS A 8 -6.164 5.134 1.131 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.549 5.399 -0.522 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.949 3.355 -0.158 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.858 3.117 1.322 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.577 1.070 0.688 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.898 2.462 -3.066 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.145 0.647 -1.324 1.00 25.00 H new ATOM 146 N GLU A 9 -10.022 6.301 1.257 1.00 25.00 N ATOM 147 CA GLU A 9 -10.949 6.836 2.254 1.00 25.00 C ATOM 148 C GLU A 9 -11.732 5.748 2.976 1.00 25.00 C ATOM 149 O GLU A 9 -11.911 5.808 4.183 1.00 25.00 O ATOM 150 CB GLU A 9 -11.949 7.807 1.596 1.00 25.00 C ATOM 151 CG GLU A 9 -11.406 8.614 0.406 1.00 25.00 C ATOM 152 CD GLU A 9 -11.680 7.926 -0.937 1.00 25.00 C ATOM 153 OE1 GLU A 9 -11.147 6.808 -1.172 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.471 8.469 -1.726 1.00 25.00 O ATOM 0 H GLU A 9 -10.136 6.711 0.330 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.336 7.358 2.989 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.815 7.236 1.260 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.302 8.505 2.355 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -11.861 9.605 0.404 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.332 8.757 0.526 1.00 25.00 H new ATOM 161 N ARG A 10 -12.170 4.734 2.242 1.00 25.00 N ATOM 162 CA ARG A 10 -12.934 3.631 2.839 1.00 25.00 C ATOM 163 C ARG A 10 -12.126 2.897 3.910 1.00 25.00 C ATOM 164 O ARG A 10 -12.647 2.544 4.963 1.00 25.00 O ATOM 165 CB ARG A 10 -13.356 2.639 1.746 1.00 25.00 C ATOM 166 CG ARG A 10 -14.815 2.203 1.834 1.00 25.00 C ATOM 167 CD ARG A 10 -15.753 3.305 1.343 1.00 25.00 C ATOM 168 NE ARG A 10 -17.156 2.854 1.314 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.189 3.587 0.910 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.052 4.825 0.498 1.00 25.00 N ATOM 171 NH2 ARG A 10 -19.383 3.064 0.922 1.00 25.00 N ATOM 0 H ARG A 10 -12.014 4.646 1.238 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.816 4.059 3.316 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.181 3.093 0.771 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.719 1.756 1.805 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.965 1.303 1.238 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.059 1.947 2.865 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.664 4.175 1.993 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.452 3.621 0.344 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.350 1.903 1.629 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.128 5.257 0.480 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.869 5.355 0.196 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -19.516 2.104 1.239 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -20.184 3.615 0.615 1.00 25.00 H new ATOM 185 N TYR A 11 -10.850 2.690 3.631 1.00 25.00 N ATOM 186 CA TYR A 11 -9.958 2.003 4.556 1.00 25.00 C ATOM 187 C TYR A 11 -9.656 2.915 5.740 1.00 25.00 C ATOM 188 O TYR A 11 -9.727 2.497 6.897 1.00 25.00 O ATOM 189 CB TYR A 11 -8.666 1.633 3.829 1.00 25.00 C ATOM 190 CG TYR A 11 -7.839 0.590 4.535 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.181 -0.773 4.450 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.697 0.949 5.274 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.388 -1.767 5.078 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.898 -0.045 5.907 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.250 -1.392 5.796 1.00 25.00 C ATOM 196 OH TYR A 11 -5.468 -2.350 6.387 1.00 25.00 O ATOM 0 H TYR A 11 -10.404 2.990 2.764 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.432 1.093 4.923 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -8.914 1.270 2.832 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.064 2.532 3.700 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.061 -1.066 3.898 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.423 1.990 5.362 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.663 -2.809 5.001 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.023 0.242 6.471 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.588 -3.204 5.921 1.00 25.00 H new ATOM 206 N VAL A 12 -9.362 4.175 5.440 1.00 25.00 N ATOM 207 CA VAL A 12 -9.075 5.184 6.465 1.00 25.00 C ATOM 208 C VAL A 12 -10.232 5.310 7.452 1.00 25.00 C ATOM 209 O VAL A 12 -10.003 5.395 8.650 1.00 25.00 O ATOM 210 CB VAL A 12 -8.788 6.578 5.815 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.618 7.680 6.875 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.518 6.518 4.983 1.00 25.00 C ATOM 0 H VAL A 12 -9.315 4.530 4.485 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.187 4.855 7.004 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.647 6.819 5.188 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.420 8.632 6.382 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.530 7.760 7.466 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.783 7.430 7.529 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.329 7.494 4.536 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.678 6.242 5.621 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.634 5.774 4.195 1.00 25.00 H new ATOM 222 N GLU A 13 -11.466 5.287 6.968 1.00 25.00 N ATOM 223 CA GLU A 13 -12.637 5.410 7.842 1.00 25.00 C ATOM 224 C GLU A 13 -12.652 4.348 8.934 1.00 25.00 C ATOM 225 O GLU A 13 -12.927 4.643 10.098 1.00 25.00 O ATOM 226 CB GLU A 13 -13.930 5.296 7.024 1.00 25.00 C ATOM 227 CG GLU A 13 -14.317 6.571 6.291 1.00 25.00 C ATOM 228 CD GLU A 13 -15.089 7.531 7.181 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.515 8.001 8.192 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.247 7.844 6.865 1.00 25.00 O ATOM 0 H GLU A 13 -11.688 5.185 5.978 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.575 6.390 8.315 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.817 4.492 6.297 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.744 5.011 7.690 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.417 7.064 5.922 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.922 6.318 5.420 1.00 25.00 H new ATOM 237 N GLN A 14 -12.334 3.114 8.579 1.00 25.00 N ATOM 238 CA GLN A 14 -12.334 2.038 9.551 1.00 25.00 C ATOM 239 C GLN A 14 -11.075 2.158 10.431 1.00 25.00 C ATOM 240 O GLN A 14 -11.130 1.973 11.654 1.00 25.00 O ATOM 241 CB GLN A 14 -12.455 0.698 8.796 1.00 25.00 C ATOM 242 CG GLN A 14 -11.299 -0.286 8.940 1.00 25.00 C ATOM 243 CD GLN A 14 -11.166 -0.847 10.344 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.083 -0.901 10.904 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.268 -1.246 10.919 1.00 25.00 N ATOM 0 H GLN A 14 -12.075 2.836 7.633 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.185 2.094 10.229 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.366 0.202 9.131 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.583 0.917 7.736 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.440 -1.108 8.239 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.369 0.212 8.665 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.155 -1.185 10.419 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.242 -1.618 11.868 1.00 25.00 H new ATOM 254 N LEU A 15 -9.961 2.542 9.818 1.00 25.00 N ATOM 255 CA LEU A 15 -8.688 2.685 10.524 1.00 25.00 C ATOM 256 C LEU A 15 -8.731 3.795 11.568 1.00 25.00 C ATOM 257 O LEU A 15 -7.978 3.753 12.541 1.00 25.00 O ATOM 258 CB LEU A 15 -7.556 2.957 9.522 1.00 25.00 C ATOM 259 CG LEU A 15 -6.681 1.785 9.033 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.503 1.601 9.976 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.434 0.459 8.886 1.00 25.00 C ATOM 0 H LEU A 15 -9.912 2.762 8.823 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.500 1.747 11.047 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.002 3.422 8.643 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.892 3.696 9.971 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.343 2.055 8.032 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.885 0.772 9.629 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.907 2.514 9.997 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.870 1.385 10.979 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.747 -0.313 8.538 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.849 0.167 9.851 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.242 0.578 8.164 1.00 25.00 H new ATOM 273 N LYS A 16 -9.633 4.759 11.404 1.00 25.00 N ATOM 274 CA LYS A 16 -9.803 5.828 12.399 1.00 25.00 C ATOM 275 C LYS A 16 -10.078 5.209 13.750 1.00 25.00 C ATOM 276 O LYS A 16 -9.559 5.665 14.757 1.00 25.00 O ATOM 277 CB LYS A 16 -10.973 6.754 12.039 1.00 25.00 C ATOM 278 CG LYS A 16 -10.676 7.763 10.932 1.00 25.00 C ATOM 279 CD LYS A 16 -11.951 8.486 10.504 1.00 25.00 C ATOM 280 CE LYS A 16 -11.692 9.416 9.317 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.948 10.132 8.894 1.00 25.00 N ATOM 0 H LYS A 16 -10.256 4.827 10.599 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.887 6.418 12.418 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.822 6.142 11.735 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.276 7.297 12.934 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.941 8.488 11.282 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.237 7.252 10.075 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.714 7.755 10.236 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.343 9.063 11.342 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.928 10.146 9.585 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.301 8.839 8.479 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.772 10.648 8.008 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.709 9.439 8.746 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.231 10.804 9.636 1.00 25.00 H new ATOM 295 N GLN A 17 -10.886 4.163 13.774 1.00 25.00 N ATOM 296 CA GLN A 17 -11.231 3.512 15.027 1.00 25.00 C ATOM 297 C GLN A 17 -10.141 2.539 15.466 1.00 25.00 C ATOM 298 O GLN A 17 -9.880 2.409 16.656 1.00 25.00 O ATOM 299 CB GLN A 17 -12.573 2.787 14.893 1.00 25.00 C ATOM 300 CG GLN A 17 -13.750 3.720 14.544 1.00 25.00 C ATOM 301 CD GLN A 17 -13.995 4.788 15.600 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.386 5.855 15.585 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.887 4.511 16.514 1.00 25.00 N ATOM 0 H GLN A 17 -11.313 3.748 12.946 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.318 4.281 15.794 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.487 2.022 14.122 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.793 2.273 15.829 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.553 4.202 13.586 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.655 3.124 14.421 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.374 3.615 16.496 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.096 5.191 17.245 1.00 25.00 H new ATOM 312 N ALA A 18 -9.484 1.879 14.521 1.00 25.00 N ATOM 313 CA ALA A 18 -8.416 0.937 14.866 1.00 25.00 C ATOM 314 C ALA A 18 -7.218 1.643 15.532 1.00 25.00 C ATOM 315 O ALA A 18 -6.681 1.150 16.525 1.00 25.00 O ATOM 316 CB ALA A 18 -7.968 0.161 13.625 1.00 25.00 C ATOM 0 H ALA A 18 -9.665 1.973 13.522 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.820 0.233 15.594 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.174 -0.535 13.898 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.813 -0.394 13.218 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.597 0.858 12.874 1.00 25.00 H new ATOM 322 N LEU A 19 -6.823 2.807 15.026 1.00 25.00 N ATOM 323 CA LEU A 19 -5.723 3.560 15.645 1.00 25.00 C ATOM 324 C LEU A 19 -6.124 3.976 17.069 1.00 25.00 C ATOM 325 O LEU A 19 -5.326 3.888 18.000 1.00 25.00 O ATOM 326 CB LEU A 19 -5.356 4.816 14.825 1.00 25.00 C ATOM 327 CG LEU A 19 -4.165 4.696 13.844 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.534 3.976 12.555 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.620 6.077 13.477 1.00 25.00 C ATOM 0 H LEU A 19 -7.235 3.248 14.204 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.847 2.911 15.674 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.235 5.116 14.254 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.138 5.624 15.523 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.409 4.111 14.367 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.660 3.921 11.906 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.877 2.968 12.787 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.329 4.522 12.048 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.784 5.966 12.787 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.406 6.664 13.003 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.281 6.586 14.379 1.00 25.00 H new ATOM 341 N LYS A 20 -7.370 4.404 17.243 1.00 25.00 N ATOM 342 CA LYS A 20 -7.850 4.844 18.562 1.00 25.00 C ATOM 343 C LYS A 20 -7.967 3.717 19.569 1.00 25.00 C ATOM 344 O LYS A 20 -7.635 3.904 20.729 1.00 25.00 O ATOM 345 CB LYS A 20 -9.241 5.473 18.457 1.00 25.00 C ATOM 346 CG LYS A 20 -9.309 6.801 17.737 1.00 25.00 C ATOM 347 CD LYS A 20 -10.775 7.132 17.474 1.00 25.00 C ATOM 348 CE LYS A 20 -10.939 8.283 16.498 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.395 8.466 16.163 1.00 25.00 N ATOM 0 H LYS A 20 -8.066 4.458 16.499 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.102 5.560 18.903 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.900 4.770 17.947 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.636 5.606 19.464 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.846 7.583 18.339 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.757 6.752 16.798 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.279 6.250 17.080 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.263 7.384 18.415 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.539 9.199 16.932 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.370 8.085 15.590 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.485 9.096 15.341 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.819 7.543 15.940 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.888 8.886 16.977 1.00 25.00 H new ATOM 363 N THR A 21 -8.482 2.568 19.153 1.00 25.00 N ATOM 364 CA THR A 21 -8.753 1.477 20.097 1.00 25.00 C ATOM 365 C THR A 21 -7.462 0.862 20.624 1.00 25.00 C ATOM 366 O THR A 21 -7.458 0.203 21.657 1.00 25.00 O ATOM 367 CB THR A 21 -9.685 0.386 19.486 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.260 -0.389 20.539 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.951 -0.561 18.551 1.00 25.00 C ATOM 0 H THR A 21 -8.720 2.362 18.183 1.00 25.00 H new ATOM 0 HA THR A 21 -9.284 1.918 20.941 1.00 25.00 H new ATOM 0 HB THR A 21 -10.447 0.910 18.909 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.646 -0.410 21.303 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.651 -1.298 18.157 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.517 0.005 17.727 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.158 -1.070 19.098 1.00 25.00 H new ATOM 377 N ARG A 22 -6.349 1.137 19.954 1.00 25.00 N ATOM 378 CA ARG A 22 -5.040 0.716 20.448 1.00 25.00 C ATOM 379 C ARG A 22 -4.613 1.566 21.640 1.00 25.00 C ATOM 380 O ARG A 22 -3.733 1.181 22.396 1.00 25.00 O ATOM 381 CB ARG A 22 -3.994 0.853 19.335 1.00 25.00 C ATOM 382 CG ARG A 22 -3.468 -0.469 18.797 1.00 25.00 C ATOM 383 CD ARG A 22 -2.686 -1.264 19.848 1.00 25.00 C ATOM 384 NE ARG A 22 -3.387 -2.505 20.223 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.803 -3.613 20.669 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.509 -3.720 20.825 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.537 -4.646 20.954 1.00 25.00 N ATOM 0 H ARG A 22 -6.325 1.647 19.071 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.114 -0.325 20.762 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.430 1.418 18.511 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.155 1.437 19.713 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.304 -1.070 18.440 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.824 -0.277 17.939 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.697 -1.507 19.459 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.537 -0.648 20.735 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.403 -2.515 20.133 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -0.901 -2.932 20.601 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.107 -4.592 21.171 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -4.549 -4.601 20.835 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.101 -5.502 21.297 1.00 25.00 H new ATOM 401 N GLY A 23 -5.196 2.753 21.761 1.00 25.00 N ATOM 402 CA GLY A 23 -4.840 3.684 22.823 1.00 25.00 C ATOM 403 C GLY A 23 -3.563 4.444 22.517 1.00 25.00 C ATOM 404 O GLY A 23 -3.129 5.309 23.285 1.00 25.00 O ATOM 0 H GLY A 23 -5.922 3.094 21.131 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.655 4.392 22.971 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.720 3.137 23.758 1.00 25.00 H new ATOM 408 N VAL A 24 -2.947 4.115 21.392 1.00 25.00 N ATOM 409 CA VAL A 24 -1.666 4.696 21.009 1.00 25.00 C ATOM 410 C VAL A 24 -1.929 5.923 20.153 1.00 25.00 C ATOM 411 O VAL A 24 -2.622 5.855 19.143 1.00 25.00 O ATOM 412 CB VAL A 24 -0.793 3.672 20.216 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.578 4.272 19.887 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.593 2.381 21.034 1.00 25.00 C ATOM 0 H VAL A 24 -3.317 3.442 20.721 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.117 4.970 21.910 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.317 3.436 19.290 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.171 3.543 19.335 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.447 5.168 19.280 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.093 4.532 20.812 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.018 1.680 20.465 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.092 2.619 21.973 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.563 1.930 21.244 1.00 25.00 H new ATOM 424 N LYS A 25 -1.382 7.056 20.564 1.00 25.00 N ATOM 425 CA LYS A 25 -1.559 8.297 19.813 1.00 25.00 C ATOM 426 C LYS A 25 -0.497 8.379 18.722 1.00 25.00 C ATOM 427 O LYS A 25 0.541 9.000 18.905 1.00 25.00 O ATOM 428 CB LYS A 25 -1.459 9.500 20.757 1.00 25.00 C ATOM 429 CG LYS A 25 -2.541 9.505 21.834 1.00 25.00 C ATOM 430 CD LYS A 25 -2.409 10.718 22.751 1.00 25.00 C ATOM 431 CE LYS A 25 -3.478 10.707 23.849 1.00 25.00 C ATOM 432 NZ LYS A 25 -3.318 9.536 24.790 1.00 25.00 N ATOM 0 H LYS A 25 -0.815 7.146 21.407 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.546 8.309 19.350 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.479 9.500 21.234 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.530 10.419 20.175 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.524 9.508 21.364 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.473 8.591 22.425 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.418 10.726 23.206 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.498 11.632 22.163 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.424 11.636 24.416 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -4.466 10.670 23.391 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.937 9.667 25.616 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -3.578 8.657 24.298 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.329 9.476 25.105 1.00 25.00 H new ATOM 446 N VAL A 26 -0.774 7.752 17.591 1.00 25.00 N ATOM 447 CA VAL A 26 0.139 7.763 16.446 1.00 25.00 C ATOM 448 C VAL A 26 -0.447 8.598 15.324 1.00 25.00 C ATOM 449 O VAL A 26 -1.666 8.672 15.153 1.00 25.00 O ATOM 450 CB VAL A 26 0.419 6.332 15.893 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.687 5.769 16.520 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.773 5.383 16.146 1.00 25.00 C ATOM 0 H VAL A 26 -1.631 7.222 17.435 1.00 25.00 H new ATOM 0 HA VAL A 26 1.079 8.187 16.800 1.00 25.00 H new ATOM 0 HB VAL A 26 0.556 6.409 14.814 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.874 4.769 16.128 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.530 6.417 16.280 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.566 5.717 17.602 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -0.542 4.395 15.747 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.957 5.308 17.218 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.662 5.775 15.652 1.00 25.00 H new ATOM 462 N LYS A 27 0.424 9.221 14.547 1.00 25.00 N ATOM 463 CA LYS A 27 -0.007 9.994 13.388 1.00 25.00 C ATOM 464 C LYS A 27 -0.428 8.978 12.337 1.00 25.00 C ATOM 465 O LYS A 27 0.263 7.996 12.130 1.00 25.00 O ATOM 466 CB LYS A 27 1.148 10.870 12.883 1.00 25.00 C ATOM 467 CG LYS A 27 0.771 11.848 11.770 1.00 25.00 C ATOM 468 CD LYS A 27 1.983 12.691 11.366 1.00 25.00 C ATOM 469 CE LYS A 27 1.611 13.745 10.318 1.00 25.00 C ATOM 470 NZ LYS A 27 2.808 14.581 9.926 1.00 25.00 N ATOM 0 H LYS A 27 1.433 9.208 14.695 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.832 10.665 13.629 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.551 11.435 13.723 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.947 10.222 12.523 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.398 11.299 10.906 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.036 12.498 12.107 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.395 13.183 12.247 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.763 12.041 10.969 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.204 13.254 9.434 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.827 14.392 10.713 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 2.522 15.285 9.215 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.181 15.069 10.766 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.545 13.966 9.527 1.00 25.00 H new ATOM 484 N PHE A 28 -1.542 9.224 11.667 1.00 25.00 N ATOM 485 CA PHE A 28 -2.041 8.309 10.637 1.00 25.00 C ATOM 486 C PHE A 28 -0.990 8.041 9.573 1.00 25.00 C ATOM 487 O PHE A 28 -0.708 6.897 9.245 1.00 25.00 O ATOM 488 CB PHE A 28 -3.275 8.930 9.971 1.00 25.00 C ATOM 489 CG PHE A 28 -4.498 8.073 10.041 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.726 7.078 9.075 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.447 8.268 11.059 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.883 6.274 9.127 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.613 7.476 11.116 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.831 6.480 10.144 1.00 25.00 C ATOM 0 H PHE A 28 -2.123 10.049 11.814 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.293 7.363 11.116 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.488 9.888 10.445 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.047 9.135 8.925 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.007 6.928 8.284 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.282 9.031 11.805 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.040 5.502 8.388 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.336 7.633 11.902 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.725 5.876 10.180 1.00 25.00 H new ATOM 504 N ALA A 29 -0.387 9.109 9.068 1.00 25.00 N ATOM 505 CA ALA A 29 0.634 8.993 8.038 1.00 25.00 C ATOM 506 C ALA A 29 1.811 8.134 8.508 1.00 25.00 C ATOM 507 O ALA A 29 2.367 7.384 7.733 1.00 25.00 O ATOM 508 CB ALA A 29 1.123 10.391 7.633 1.00 25.00 C ATOM 0 H ALA A 29 -0.588 10.067 9.356 1.00 25.00 H new ATOM 0 HA ALA A 29 0.190 8.499 7.174 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.888 10.300 6.861 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.285 10.972 7.247 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.544 10.895 8.503 1.00 25.00 H new ATOM 514 N ASP A 30 2.176 8.247 9.778 1.00 25.00 N ATOM 515 CA ASP A 30 3.296 7.476 10.318 1.00 25.00 C ATOM 516 C ASP A 30 2.920 6.009 10.464 1.00 25.00 C ATOM 517 O ASP A 30 3.711 5.131 10.144 1.00 25.00 O ATOM 518 CB ASP A 30 3.720 8.019 11.682 1.00 25.00 C ATOM 519 CG ASP A 30 4.996 7.373 12.192 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.977 7.302 11.422 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.035 6.975 13.371 1.00 25.00 O ATOM 0 H ASP A 30 1.718 8.860 10.453 1.00 25.00 H new ATOM 0 HA ASP A 30 4.127 7.569 9.618 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.865 9.097 11.612 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.919 7.851 12.402 1.00 25.00 H new ATOM 526 N LEU A 31 1.700 5.744 10.921 1.00 25.00 N ATOM 527 CA LEU A 31 1.246 4.368 11.121 1.00 25.00 C ATOM 528 C LEU A 31 1.258 3.629 9.790 1.00 25.00 C ATOM 529 O LEU A 31 1.852 2.561 9.655 1.00 25.00 O ATOM 530 CB LEU A 31 -0.161 4.335 11.750 1.00 25.00 C ATOM 531 CG LEU A 31 -0.783 2.963 12.128 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.505 2.296 10.958 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.237 1.983 12.683 1.00 25.00 C ATOM 0 H LEU A 31 1.011 6.457 11.159 1.00 25.00 H new ATOM 0 HA LEU A 31 1.927 3.871 11.812 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.132 4.944 12.654 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.843 4.826 11.056 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.508 3.202 12.906 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.919 1.341 11.282 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.312 2.942 10.612 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.800 2.128 10.144 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.258 1.043 12.929 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.011 1.802 11.937 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.691 2.400 13.582 1.00 25.00 H new ATOM 545 N LEU A 32 0.610 4.210 8.795 1.00 25.00 N ATOM 546 CA LEU A 32 0.548 3.577 7.477 1.00 25.00 C ATOM 547 C LEU A 32 1.908 3.508 6.785 1.00 25.00 C ATOM 548 O LEU A 32 2.131 2.645 5.941 1.00 25.00 O ATOM 549 CB LEU A 32 -0.440 4.303 6.563 1.00 25.00 C ATOM 550 CG LEU A 32 -1.942 3.962 6.678 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.238 2.478 6.672 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.525 4.577 7.911 1.00 25.00 C ATOM 0 H LEU A 32 0.125 5.104 8.866 1.00 25.00 H new ATOM 0 HA LEU A 32 0.209 2.557 7.655 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.329 5.373 6.739 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.136 4.117 5.533 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.406 4.380 5.785 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.313 2.321 6.756 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.879 2.039 5.741 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.735 2.003 7.515 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.584 4.327 7.977 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -2.006 4.193 8.789 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.410 5.660 7.867 1.00 25.00 H new ATOM 564 N LYS A 33 2.839 4.370 7.168 1.00 25.00 N ATOM 565 CA LYS A 33 4.193 4.320 6.596 1.00 25.00 C ATOM 566 C LYS A 33 4.881 3.006 6.960 1.00 25.00 C ATOM 567 O LYS A 33 5.667 2.481 6.182 1.00 25.00 O ATOM 568 CB LYS A 33 5.029 5.538 7.036 1.00 25.00 C ATOM 569 CG LYS A 33 6.312 5.230 7.809 1.00 25.00 C ATOM 570 CD LYS A 33 7.035 6.519 8.168 1.00 25.00 C ATOM 571 CE LYS A 33 8.298 6.244 8.973 1.00 25.00 C ATOM 572 NZ LYS A 33 7.966 5.682 10.320 1.00 25.00 N ATOM 0 H LYS A 33 2.694 5.104 7.861 1.00 25.00 H new ATOM 0 HA LYS A 33 4.107 4.363 5.510 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.293 6.112 6.148 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.401 6.179 7.655 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.074 4.674 8.716 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.963 4.595 7.208 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.293 7.059 7.257 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.369 7.163 8.742 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.934 5.545 8.430 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.866 7.167 9.090 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.832 5.615 10.891 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.284 6.305 10.798 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.551 4.735 10.208 1.00 25.00 H new ATOM 586 N PHE A 34 4.550 2.435 8.108 1.00 25.00 N ATOM 587 CA PHE A 34 5.136 1.154 8.491 1.00 25.00 C ATOM 588 C PHE A 34 4.585 0.011 7.646 1.00 25.00 C ATOM 589 O PHE A 34 5.291 -0.953 7.391 1.00 25.00 O ATOM 590 CB PHE A 34 4.939 0.886 9.981 1.00 25.00 C ATOM 591 CG PHE A 34 5.921 1.627 10.842 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.208 1.100 11.064 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.581 2.860 11.417 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.152 1.801 11.851 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.515 3.576 12.202 1.00 25.00 C ATOM 596 CZ PHE A 34 7.805 3.044 12.421 1.00 25.00 C ATOM 0 H PHE A 34 3.892 2.827 8.781 1.00 25.00 H new ATOM 0 HA PHE A 34 6.208 1.211 8.300 1.00 25.00 H new ATOM 0 HB2 PHE A 34 3.926 1.171 10.266 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.034 -0.184 10.168 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.478 0.149 10.628 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.594 3.268 11.259 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.135 1.386 12.015 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.242 4.528 12.633 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.521 3.585 13.021 1.00 25.00 H new ATOM 606 N PHE A 35 3.370 0.143 7.131 1.00 25.00 N ATOM 607 CA PHE A 35 2.852 -0.860 6.196 1.00 25.00 C ATOM 608 C PHE A 35 3.534 -0.715 4.839 1.00 25.00 C ATOM 609 O PHE A 35 3.683 -1.684 4.102 1.00 25.00 O ATOM 610 CB PHE A 35 1.344 -0.737 6.010 1.00 25.00 C ATOM 611 CG PHE A 35 0.551 -1.196 7.197 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.694 -2.503 7.698 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.362 -0.331 7.807 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.084 -2.942 8.793 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.149 -0.756 8.900 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.016 -2.062 9.389 1.00 25.00 C ATOM 0 H PHE A 35 2.734 0.914 7.335 1.00 25.00 H new ATOM 0 HA PHE A 35 3.067 -1.840 6.622 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.096 0.303 5.799 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.046 -1.319 5.138 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.404 -3.176 7.242 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -0.467 0.678 7.437 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.033 -3.946 9.173 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -1.852 -0.076 9.358 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.623 -2.395 10.218 1.00 25.00 H new ATOM 626 N ASP A 36 3.975 0.491 4.515 1.00 25.00 N ATOM 627 CA ASP A 36 4.678 0.720 3.255 1.00 25.00 C ATOM 628 C ASP A 36 6.111 0.199 3.344 1.00 25.00 C ATOM 629 O ASP A 36 6.725 -0.115 2.340 1.00 25.00 O ATOM 630 CB ASP A 36 4.681 2.206 2.897 1.00 25.00 C ATOM 631 CG ASP A 36 4.613 2.434 1.399 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.676 1.901 0.765 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.441 3.179 0.847 1.00 25.00 O ATOM 0 H ASP A 36 3.862 1.320 5.098 1.00 25.00 H new ATOM 0 HA ASP A 36 4.153 0.177 2.469 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.833 2.695 3.376 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.583 2.672 3.293 1.00 25.00 H new ATOM 638 N PHE A 37 6.621 0.058 4.560 1.00 25.00 N ATOM 639 CA PHE A 37 7.957 -0.500 4.771 1.00 25.00 C ATOM 640 C PHE A 37 7.972 -2.004 4.483 1.00 25.00 C ATOM 641 O PHE A 37 8.921 -2.521 3.909 1.00 25.00 O ATOM 642 CB PHE A 37 8.416 -0.235 6.211 1.00 25.00 C ATOM 643 CG PHE A 37 9.822 -0.697 6.494 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.925 0.020 5.994 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.053 -1.854 7.264 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.252 -0.411 6.258 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.375 -2.294 7.534 1.00 25.00 C ATOM 648 CZ PHE A 37 12.475 -1.570 7.028 1.00 25.00 C ATOM 0 H PHE A 37 6.133 0.321 5.417 1.00 25.00 H new ATOM 0 HA PHE A 37 8.645 -0.012 4.081 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.347 0.834 6.414 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.734 -0.735 6.898 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.760 0.908 5.403 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.215 -2.412 7.653 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.090 0.149 5.869 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.539 -3.182 8.126 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.483 -1.902 7.230 1.00 25.00 H new ATOM 658 N VAL A 38 6.900 -2.705 4.842 1.00 25.00 N ATOM 659 CA VAL A 38 6.831 -4.156 4.592 1.00 25.00 C ATOM 660 C VAL A 38 6.791 -4.432 3.105 1.00 25.00 C ATOM 661 O VAL A 38 7.213 -5.486 2.651 1.00 25.00 O ATOM 662 CB VAL A 38 5.597 -4.853 5.291 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.042 -3.993 6.388 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.447 -5.212 4.313 1.00 25.00 C ATOM 0 H VAL A 38 6.078 -2.309 5.298 1.00 25.00 H new ATOM 0 HA VAL A 38 7.732 -4.584 5.032 1.00 25.00 H new ATOM 0 HB VAL A 38 5.990 -5.785 5.697 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.194 -4.497 6.852 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.813 -3.817 7.138 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.715 -3.040 5.973 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.635 -5.687 4.864 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.079 -4.304 3.835 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.818 -5.898 3.551 1.00 25.00 H new ATOM 674 N LYS A 39 6.283 -3.470 2.352 1.00 25.00 N ATOM 675 CA LYS A 39 6.127 -3.616 0.916 1.00 25.00 C ATOM 676 C LYS A 39 7.482 -3.821 0.249 1.00 25.00 C ATOM 677 O LYS A 39 7.613 -4.605 -0.680 1.00 25.00 O ATOM 678 CB LYS A 39 5.480 -2.348 0.371 1.00 25.00 C ATOM 679 CG LYS A 39 5.157 -2.342 -1.119 1.00 25.00 C ATOM 680 CD LYS A 39 4.643 -0.956 -1.533 1.00 25.00 C ATOM 681 CE LYS A 39 5.761 0.107 -1.544 1.00 25.00 C ATOM 682 NZ LYS A 39 5.204 1.489 -1.708 1.00 25.00 N ATOM 0 H LYS A 39 5.969 -2.571 2.717 1.00 25.00 H new ATOM 0 HA LYS A 39 5.504 -4.485 0.705 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.556 -2.171 0.922 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.142 -1.508 0.581 1.00 25.00 H new ATOM 0 HG2 LYS A 39 6.047 -2.597 -1.695 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.406 -3.100 -1.341 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.196 -1.019 -2.525 1.00 25.00 H new ATOM 0 HD3 LYS A 39 3.855 -0.644 -0.847 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.328 0.050 -0.615 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.457 -0.104 -2.355 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 5.963 2.187 -1.576 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 4.802 1.590 -2.662 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.459 1.649 -1.000 1.00 25.00 H new ATOM 696 N ASP A 40 8.474 -3.093 0.740 1.00 25.00 N ATOM 697 CA ASP A 40 9.832 -3.139 0.195 1.00 25.00 C ATOM 698 C ASP A 40 10.475 -4.502 0.429 1.00 25.00 C ATOM 699 O ASP A 40 10.964 -5.142 -0.493 1.00 25.00 O ATOM 700 CB ASP A 40 10.678 -2.059 0.878 1.00 25.00 C ATOM 701 CG ASP A 40 12.094 -1.998 0.339 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.275 -1.526 -0.801 1.00 25.00 O ATOM 703 OD2 ASP A 40 13.031 -2.361 1.087 1.00 25.00 O ATOM 0 H ASP A 40 8.365 -2.453 1.527 1.00 25.00 H new ATOM 0 HA ASP A 40 9.781 -2.965 -0.880 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.200 -1.089 0.743 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.710 -2.252 1.950 1.00 25.00 H new ATOM 708 N THR A 41 10.458 -4.948 1.676 1.00 25.00 N ATOM 709 CA THR A 41 11.091 -6.211 2.047 1.00 25.00 C ATOM 710 C THR A 41 10.310 -7.433 1.560 1.00 25.00 C ATOM 711 O THR A 41 10.862 -8.516 1.375 1.00 25.00 O ATOM 712 CB THR A 41 11.223 -6.288 3.573 1.00 25.00 C ATOM 713 OG1 THR A 41 11.447 -4.972 4.085 1.00 25.00 O ATOM 714 CG2 THR A 41 12.382 -7.158 3.974 1.00 25.00 C ATOM 0 H THR A 41 10.013 -4.456 2.451 1.00 25.00 H new ATOM 0 HA THR A 41 12.069 -6.229 1.565 1.00 25.00 H new ATOM 0 HB THR A 41 10.305 -6.716 3.977 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.547 -5.013 5.059 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.451 -7.194 5.061 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.232 -8.166 3.586 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.305 -6.746 3.565 1.00 25.00 H new ATOM 722 N CYS A 42 9.012 -7.261 1.379 1.00 25.00 N ATOM 723 CA CYS A 42 8.134 -8.342 0.934 1.00 25.00 C ATOM 724 C CYS A 42 7.270 -7.959 -0.270 1.00 25.00 C ATOM 725 O CYS A 42 6.056 -7.777 -0.132 1.00 25.00 O ATOM 726 CB CYS A 42 7.220 -8.767 2.080 1.00 25.00 C ATOM 727 SG CYS A 42 8.112 -9.381 3.502 1.00 25.00 S ATOM 0 H CYS A 42 8.533 -6.374 1.534 1.00 25.00 H new ATOM 0 HA CYS A 42 8.783 -9.162 0.624 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.608 -7.917 2.382 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.539 -9.540 1.725 1.00 25.00 H new ATOM 0 HG CYS A 42 9.221 -9.936 3.112 1.00 25.00 H new ATOM 733 N PRO A 43 7.855 -7.919 -1.480 1.00 25.00 N ATOM 734 CA PRO A 43 7.038 -7.595 -2.659 1.00 25.00 C ATOM 735 C PRO A 43 6.075 -8.728 -3.028 1.00 25.00 C ATOM 736 O PRO A 43 5.112 -8.541 -3.766 1.00 25.00 O ATOM 737 CB PRO A 43 8.089 -7.374 -3.748 1.00 25.00 C ATOM 738 CG PRO A 43 9.210 -8.270 -3.356 1.00 25.00 C ATOM 739 CD PRO A 43 9.261 -8.180 -1.851 1.00 25.00 C ATOM 0 HA PRO A 43 6.389 -6.734 -2.499 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.701 -7.629 -4.734 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.407 -6.332 -3.790 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.033 -9.294 -3.686 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.150 -7.948 -3.804 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.630 -9.103 -1.405 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.921 -7.379 -1.518 1.00 25.00 H new ATOM 747 N TRP A 44 6.317 -9.900 -2.461 1.00 25.00 N ATOM 748 CA TRP A 44 5.457 -11.059 -2.655 1.00 25.00 C ATOM 749 C TRP A 44 4.259 -11.051 -1.704 1.00 25.00 C ATOM 750 O TRP A 44 3.307 -11.786 -1.907 1.00 25.00 O ATOM 751 CB TRP A 44 6.277 -12.329 -2.457 1.00 25.00 C ATOM 752 CG TRP A 44 7.345 -12.139 -1.437 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.181 -11.979 -0.112 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.765 -12.046 -1.665 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.373 -11.805 0.531 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.378 -11.830 -0.395 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.581 -12.106 -2.812 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.768 -11.672 -0.247 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.985 -11.948 -2.667 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.560 -11.731 -1.380 1.00 25.00 C ATOM 0 H TRP A 44 7.116 -10.075 -1.852 1.00 25.00 H new ATOM 0 HA TRP A 44 5.061 -11.022 -3.670 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.620 -13.143 -2.149 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.727 -12.624 -3.405 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.222 -11.987 0.384 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.493 -11.678 1.536 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.146 -12.270 -3.787 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.206 -11.509 0.727 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.622 -11.993 -3.538 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.629 -11.611 -1.288 1.00 25.00 H new ATOM 771 N PHE A 45 4.275 -10.201 -0.687 1.00 25.00 N ATOM 772 CA PHE A 45 3.140 -10.132 0.238 1.00 25.00 C ATOM 773 C PHE A 45 1.867 -9.616 -0.470 1.00 25.00 C ATOM 774 O PHE A 45 0.825 -10.283 -0.414 1.00 25.00 O ATOM 775 CB PHE A 45 3.484 -9.279 1.465 1.00 25.00 C ATOM 776 CG PHE A 45 2.426 -9.296 2.529 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.463 -10.261 3.555 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.392 -8.343 2.524 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.481 -10.269 4.577 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.400 -8.349 3.531 1.00 25.00 C ATOM 781 CZ PHE A 45 0.448 -9.312 4.563 1.00 25.00 C ATOM 0 H PHE A 45 5.041 -9.560 -0.479 1.00 25.00 H new ATOM 0 HA PHE A 45 2.930 -11.144 0.585 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.422 -9.635 1.892 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.649 -8.250 1.146 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.248 -11.003 3.563 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.355 -7.599 1.742 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.525 -11.007 5.364 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.394 -7.617 3.511 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.304 -9.314 5.338 1.00 25.00 H new ATOM 791 N PRO A 46 1.933 -8.468 -1.192 1.00 25.00 N ATOM 792 CA PRO A 46 0.688 -8.135 -1.899 1.00 25.00 C ATOM 793 C PRO A 46 0.376 -9.068 -3.074 1.00 25.00 C ATOM 794 O PRO A 46 -0.773 -9.187 -3.476 1.00 25.00 O ATOM 795 CB PRO A 46 0.945 -6.705 -2.382 1.00 25.00 C ATOM 796 CG PRO A 46 2.398 -6.648 -2.591 1.00 25.00 C ATOM 797 CD PRO A 46 2.964 -7.436 -1.440 1.00 25.00 C ATOM 0 HA PRO A 46 -0.184 -8.241 -1.253 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.402 -6.493 -3.303 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.620 -5.971 -1.644 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.681 -7.083 -3.550 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.761 -5.620 -2.588 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.926 -7.882 -1.693 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.124 -6.808 -0.563 1.00 25.00 H new ATOM 805 N GLN A 47 1.386 -9.760 -3.593 1.00 25.00 N ATOM 806 CA GLN A 47 1.180 -10.727 -4.672 1.00 25.00 C ATOM 807 C GLN A 47 0.341 -11.903 -4.160 1.00 25.00 C ATOM 808 O GLN A 47 -0.605 -12.341 -4.819 1.00 25.00 O ATOM 809 CB GLN A 47 2.533 -11.225 -5.187 1.00 25.00 C ATOM 810 CG GLN A 47 2.454 -12.096 -6.429 1.00 25.00 C ATOM 811 CD GLN A 47 3.823 -12.560 -6.878 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.602 -13.075 -6.094 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.125 -12.369 -8.136 1.00 25.00 N ATOM 0 H GLN A 47 2.355 -9.671 -3.286 1.00 25.00 H new ATOM 0 HA GLN A 47 0.648 -10.245 -5.492 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.165 -10.363 -5.403 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.024 -11.789 -4.394 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.825 -12.963 -6.226 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.977 -11.538 -7.235 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.448 -11.935 -8.763 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.038 -12.654 -8.490 1.00 25.00 H new ATOM 822 N GLU A 48 0.659 -12.384 -2.962 1.00 25.00 N ATOM 823 CA GLU A 48 -0.130 -13.443 -2.337 1.00 25.00 C ATOM 824 C GLU A 48 -1.518 -12.874 -2.036 1.00 25.00 C ATOM 825 O GLU A 48 -2.531 -13.550 -2.223 1.00 25.00 O ATOM 826 CB GLU A 48 0.537 -13.947 -1.047 1.00 25.00 C ATOM 827 CG GLU A 48 1.777 -14.826 -1.282 1.00 25.00 C ATOM 828 CD GLU A 48 2.363 -15.395 0.019 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.919 -14.626 0.835 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.256 -16.623 0.230 1.00 25.00 O ATOM 0 H GLU A 48 1.451 -12.061 -2.407 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.204 -14.296 -3.012 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.824 -13.088 -0.440 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.194 -14.515 -0.471 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.512 -15.649 -1.945 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.541 -14.239 -1.792 1.00 25.00 H new ATOM 837 N GLY A 49 -1.560 -11.606 -1.639 1.00 25.00 N ATOM 838 CA GLY A 49 -2.821 -10.893 -1.476 1.00 25.00 C ATOM 839 C GLY A 49 -3.754 -11.527 -0.470 1.00 25.00 C ATOM 840 O GLY A 49 -4.962 -11.525 -0.646 1.00 25.00 O ATOM 0 H GLY A 49 -0.732 -11.050 -1.424 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.611 -9.869 -1.168 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.325 -10.839 -2.441 1.00 25.00 H new ATOM 844 N THR A 50 -3.172 -12.122 0.555 1.00 25.00 N ATOM 845 CA THR A 50 -3.919 -12.850 1.574 1.00 25.00 C ATOM 846 C THR A 50 -3.456 -12.331 2.920 1.00 25.00 C ATOM 847 O THR A 50 -2.250 -12.215 3.153 1.00 25.00 O ATOM 848 CB THR A 50 -3.609 -14.352 1.477 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.958 -14.839 0.179 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.340 -15.166 2.519 1.00 25.00 C ATOM 0 H THR A 50 -2.164 -12.116 0.708 1.00 25.00 H new ATOM 0 HA THR A 50 -4.991 -12.707 1.441 1.00 25.00 H new ATOM 0 HB THR A 50 -2.540 -14.465 1.655 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.399 -14.401 -0.496 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.084 -16.219 2.404 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.049 -14.829 3.514 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.415 -15.038 2.392 1.00 25.00 H new ATOM 858 N ILE A 51 -4.387 -12.007 3.803 1.00 25.00 N ATOM 859 CA ILE A 51 -4.037 -11.459 5.109 1.00 25.00 C ATOM 860 C ILE A 51 -4.357 -12.447 6.204 1.00 25.00 C ATOM 861 O ILE A 51 -5.495 -12.667 6.597 1.00 25.00 O ATOM 862 CB ILE A 51 -4.751 -10.138 5.401 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.477 -9.105 4.305 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.324 -9.567 6.785 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.050 -8.674 4.079 1.00 25.00 C ATOM 0 H ILE A 51 -5.389 -12.113 3.642 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.965 -11.264 5.084 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.821 -10.345 5.422 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.857 -9.506 3.366 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.063 -8.214 4.532 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.846 -8.628 6.968 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.578 -10.282 7.568 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.248 -9.391 6.790 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.015 -7.941 3.273 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.655 -8.229 4.992 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.447 -9.540 3.808 1.00 25.00 H new ATOM 877 N ASP A 52 -3.294 -13.005 6.733 1.00 25.00 N ATOM 878 CA ASP A 52 -3.378 -13.906 7.870 1.00 25.00 C ATOM 879 C ASP A 52 -2.053 -13.873 8.591 1.00 25.00 C ATOM 880 O ASP A 52 -1.051 -13.416 8.044 1.00 25.00 O ATOM 881 CB ASP A 52 -3.682 -15.343 7.451 1.00 25.00 C ATOM 882 CG ASP A 52 -3.895 -16.249 8.650 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.529 -15.793 9.635 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.233 -17.303 8.712 1.00 25.00 O ATOM 0 H ASP A 52 -2.345 -12.851 6.392 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.195 -13.575 8.512 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.572 -15.357 6.822 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.860 -15.727 6.847 1.00 25.00 H new ATOM 889 N ILE A 53 -2.035 -14.373 9.812 1.00 25.00 N ATOM 890 CA ILE A 53 -0.839 -14.375 10.625 1.00 25.00 C ATOM 891 C ILE A 53 0.219 -15.289 10.015 1.00 25.00 C ATOM 892 O ILE A 53 1.403 -15.017 10.122 1.00 25.00 O ATOM 893 CB ILE A 53 -1.193 -14.770 12.083 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.010 -14.514 13.024 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.656 -16.234 12.186 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.389 -13.066 13.161 1.00 25.00 C ATOM 0 H ILE A 53 -2.849 -14.788 10.265 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.413 -13.372 10.651 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.026 -14.139 12.392 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.259 -14.902 14.012 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.850 -15.081 12.666 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.894 -16.468 13.224 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.543 -16.379 11.569 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.860 -16.893 11.838 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.233 -12.984 13.846 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.674 -12.673 12.185 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.452 -12.492 13.551 1.00 25.00 H new ATOM 908 N LYS A 54 -0.203 -16.319 9.294 1.00 25.00 N ATOM 909 CA LYS A 54 0.749 -17.199 8.598 1.00 25.00 C ATOM 910 C LYS A 54 1.548 -16.395 7.577 1.00 25.00 C ATOM 911 O LYS A 54 2.740 -16.604 7.403 1.00 25.00 O ATOM 912 CB LYS A 54 0.003 -18.326 7.880 1.00 25.00 C ATOM 913 CG LYS A 54 -0.705 -19.299 8.817 1.00 25.00 C ATOM 914 CD LYS A 54 -1.657 -20.192 8.030 1.00 25.00 C ATOM 915 CE LYS A 54 -2.551 -20.995 8.965 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.578 -21.777 8.193 1.00 25.00 N ATOM 0 H LYS A 54 -1.184 -16.571 9.171 1.00 25.00 H new ATOM 0 HA LYS A 54 1.426 -17.630 9.336 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.732 -17.888 7.205 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.711 -18.881 7.264 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.030 -19.911 9.340 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.258 -18.746 9.576 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.272 -19.581 7.369 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.085 -20.870 7.397 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.942 -21.676 9.559 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -3.050 -20.322 9.663 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.174 -22.315 8.854 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.173 -21.123 7.645 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.099 -22.435 7.545 1.00 25.00 H new ATOM 930 N ARG A 55 0.876 -15.463 6.917 1.00 25.00 N ATOM 931 CA ARG A 55 1.512 -14.614 5.910 1.00 25.00 C ATOM 932 C ARG A 55 2.322 -13.513 6.585 1.00 25.00 C ATOM 933 O ARG A 55 3.429 -13.207 6.177 1.00 25.00 O ATOM 934 CB ARG A 55 0.428 -14.005 5.014 1.00 25.00 C ATOM 935 CG ARG A 55 0.837 -13.829 3.560 1.00 25.00 C ATOM 936 CD ARG A 55 -0.086 -14.627 2.648 1.00 25.00 C ATOM 937 NE ARG A 55 0.250 -16.059 2.618 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.295 -16.965 1.811 1.00 25.00 C ATOM 939 NH1 ARG A 55 -1.238 -16.676 0.951 1.00 25.00 N ATOM 940 NH2 ARG A 55 0.123 -18.199 1.873 1.00 25.00 N ATOM 0 H ARG A 55 -0.116 -15.272 7.059 1.00 25.00 H new ATOM 0 HA ARG A 55 2.191 -15.213 5.303 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.458 -14.639 5.055 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.144 -13.034 5.418 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.801 -12.773 3.291 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.867 -14.158 3.423 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.116 -14.506 2.983 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.030 -14.223 1.637 1.00 25.00 H new ATOM 0 HE ARG A 55 0.962 -16.385 3.272 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -1.587 -15.720 0.878 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -1.624 -17.407 0.353 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.857 -18.456 2.533 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.284 -18.907 1.261 1.00 25.00 H new ATOM 954 N TRP A 56 1.764 -12.942 7.641 1.00 25.00 N ATOM 955 CA TRP A 56 2.416 -11.860 8.379 1.00 25.00 C ATOM 956 C TRP A 56 3.709 -12.313 9.059 1.00 25.00 C ATOM 957 O TRP A 56 4.645 -11.539 9.189 1.00 25.00 O ATOM 958 CB TRP A 56 1.444 -11.300 9.419 1.00 25.00 C ATOM 959 CG TRP A 56 1.872 -9.978 9.993 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.295 -9.726 11.259 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.917 -8.704 9.317 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.592 -8.406 11.439 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.381 -7.741 10.264 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.619 -8.276 8.006 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.564 -6.382 9.932 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.796 -6.907 7.670 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.268 -5.977 8.643 1.00 25.00 C ATOM 0 H TRP A 56 0.853 -13.210 8.013 1.00 25.00 H new ATOM 0 HA TRP A 56 2.689 -11.086 7.662 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.461 -11.187 8.961 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.337 -12.021 10.229 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.385 -10.478 12.029 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.918 -7.985 12.309 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.261 -8.979 7.268 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.926 -5.676 10.665 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.571 -6.568 6.670 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.396 -4.940 8.369 1.00 25.00 H new ATOM 978 N ARG A 57 3.778 -13.574 9.463 1.00 25.00 N ATOM 979 CA ARG A 57 4.991 -14.111 10.091 1.00 25.00 C ATOM 980 C ARG A 57 6.175 -14.073 9.137 1.00 25.00 C ATOM 981 O ARG A 57 7.241 -13.616 9.514 1.00 25.00 O ATOM 982 CB ARG A 57 4.744 -15.517 10.616 1.00 25.00 C ATOM 983 CG ARG A 57 4.001 -15.489 11.950 1.00 25.00 C ATOM 984 CD ARG A 57 3.319 -16.802 12.222 1.00 25.00 C ATOM 985 NE ARG A 57 2.540 -16.756 13.477 1.00 25.00 N ATOM 986 CZ ARG A 57 1.856 -17.769 14.001 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.873 -18.968 13.470 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.131 -17.573 15.067 1.00 25.00 N ATOM 0 H ARG A 57 3.016 -14.246 9.371 1.00 25.00 H new ATOM 0 HA ARG A 57 5.242 -13.474 10.939 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.165 -16.083 9.887 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.696 -16.034 10.738 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.702 -15.267 12.755 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.262 -14.688 11.941 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.658 -17.049 11.391 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.064 -17.595 12.284 1.00 25.00 H new ATOM 0 HE ARG A 57 2.526 -15.872 13.985 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.423 -19.146 12.629 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.337 -19.723 13.898 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.091 -16.647 15.494 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.604 -18.345 15.474 1.00 25.00 H new ATOM 1002 N ARG A 58 5.942 -14.422 7.877 1.00 25.00 N ATOM 1003 CA ARG A 58 6.991 -14.320 6.844 1.00 25.00 C ATOM 1004 C ARG A 58 7.560 -12.913 6.719 1.00 25.00 C ATOM 1005 O ARG A 58 8.716 -12.744 6.380 1.00 25.00 O ATOM 1006 CB ARG A 58 6.469 -14.721 5.465 1.00 25.00 C ATOM 1007 CG ARG A 58 6.116 -16.193 5.306 1.00 25.00 C ATOM 1008 CD ARG A 58 5.832 -16.500 3.830 1.00 25.00 C ATOM 1009 NE ARG A 58 7.053 -16.364 3.012 1.00 25.00 N ATOM 1010 CZ ARG A 58 7.087 -16.075 1.713 1.00 25.00 C ATOM 1011 NH1 ARG A 58 6.004 -15.873 1.001 1.00 25.00 N ATOM 1012 NH2 ARG A 58 8.246 -15.976 1.122 1.00 25.00 N ATOM 0 H ARG A 58 5.047 -14.776 7.538 1.00 25.00 H new ATOM 0 HA ARG A 58 7.774 -15.003 7.172 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.583 -14.126 5.243 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.222 -14.462 4.720 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.936 -16.814 5.665 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.243 -16.435 5.912 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.439 -17.512 3.736 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.064 -15.823 3.456 1.00 25.00 H new ATOM 0 HE ARG A 58 7.947 -16.503 3.482 1.00 25.00 H new ATOM 0 HH11 ARG A 58 5.086 -15.935 1.441 1.00 25.00 H new ATOM 0 HH12 ARG A 58 6.080 -15.654 0.008 1.00 25.00 H new ATOM 0 HH21 ARG A 58 9.104 -16.119 1.655 1.00 25.00 H new ATOM 0 HH22 ARG A 58 8.294 -15.755 0.127 1.00 25.00 H new ATOM 1026 N VAL A 59 6.745 -11.903 6.978 1.00 25.00 N ATOM 1027 CA VAL A 59 7.199 -10.515 6.881 1.00 25.00 C ATOM 1028 C VAL A 59 8.224 -10.235 7.968 1.00 25.00 C ATOM 1029 O VAL A 59 9.228 -9.566 7.745 1.00 25.00 O ATOM 1030 CB VAL A 59 6.013 -9.528 7.043 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.467 -8.099 6.899 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.934 -9.835 6.021 1.00 25.00 C ATOM 0 H VAL A 59 5.770 -12.012 7.256 1.00 25.00 H new ATOM 0 HA VAL A 59 7.644 -10.373 5.896 1.00 25.00 H new ATOM 0 HB VAL A 59 5.606 -9.655 8.046 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.613 -7.432 7.018 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.211 -7.875 7.663 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.906 -7.954 5.912 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.107 -9.136 6.144 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.346 -9.737 5.017 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.574 -10.853 6.167 1.00 25.00 H new ATOM 1042 N GLY A 60 7.977 -10.780 9.146 1.00 25.00 N ATOM 1043 CA GLY A 60 8.893 -10.589 10.249 1.00 25.00 C ATOM 1044 C GLY A 60 10.170 -11.367 10.032 1.00 25.00 C ATOM 1045 O GLY A 60 11.250 -10.884 10.355 1.00 25.00 O ATOM 0 H GLY A 60 7.159 -11.351 9.359 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.122 -9.529 10.357 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.421 -10.909 11.178 1.00 25.00 H new ATOM 1049 N ASP A 61 10.053 -12.545 9.434 1.00 25.00 N ATOM 1050 CA ASP A 61 11.223 -13.362 9.101 1.00 25.00 C ATOM 1051 C ASP A 61 12.085 -12.588 8.100 1.00 25.00 C ATOM 1052 O ASP A 61 13.308 -12.558 8.194 1.00 25.00 O ATOM 1053 CB ASP A 61 10.795 -14.702 8.479 1.00 25.00 C ATOM 1054 CG ASP A 61 9.928 -15.542 9.413 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.212 -15.592 10.628 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.944 -16.148 8.921 1.00 25.00 O ATOM 0 H ASP A 61 9.161 -12.961 9.167 1.00 25.00 H new ATOM 0 HA ASP A 61 11.785 -13.572 10.011 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.246 -14.510 7.557 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.684 -15.271 8.208 1.00 25.00 H new ATOM 1061 N CYS A 62 11.422 -11.914 7.170 1.00 25.00 N ATOM 1062 CA CYS A 62 12.094 -11.089 6.171 1.00 25.00 C ATOM 1063 C CYS A 62 12.839 -9.921 6.814 1.00 25.00 C ATOM 1064 O CYS A 62 13.988 -9.646 6.472 1.00 25.00 O ATOM 1065 CB CYS A 62 11.062 -10.539 5.186 1.00 25.00 C ATOM 1066 SG CYS A 62 11.287 -11.129 3.493 1.00 25.00 S ATOM 0 H CYS A 62 10.406 -11.923 7.085 1.00 25.00 H new ATOM 0 HA CYS A 62 12.820 -11.716 5.654 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.064 -10.814 5.528 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.112 -9.450 5.192 1.00 25.00 H new ATOM 0 HG CYS A 62 11.126 -10.141 2.664 1.00 25.00 H new ATOM 1072 N PHE A 63 12.201 -9.234 7.757 1.00 25.00 N ATOM 1073 CA PHE A 63 12.864 -8.120 8.435 1.00 25.00 C ATOM 1074 C PHE A 63 14.055 -8.634 9.219 1.00 25.00 C ATOM 1075 O PHE A 63 15.070 -7.968 9.296 1.00 25.00 O ATOM 1076 CB PHE A 63 11.947 -7.411 9.435 1.00 25.00 C ATOM 1077 CG PHE A 63 10.776 -6.687 8.818 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.882 -6.035 7.568 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.558 -6.614 9.521 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.782 -5.326 7.031 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.460 -5.897 8.997 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.574 -5.255 7.750 1.00 25.00 C ATOM 0 H PHE A 63 11.247 -9.421 8.066 1.00 25.00 H new ATOM 0 HA PHE A 63 13.158 -7.417 7.655 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.568 -8.147 10.144 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.539 -6.695 10.005 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.811 -6.079 7.018 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.462 -7.113 10.474 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.869 -4.840 6.071 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.535 -5.842 9.552 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.735 -4.708 7.345 1.00 25.00 H new ATOM 1092 N GLN A 64 13.919 -9.807 9.819 1.00 25.00 N ATOM 1093 CA GLN A 64 14.984 -10.385 10.632 1.00 25.00 C ATOM 1094 C GLN A 64 16.205 -10.692 9.778 1.00 25.00 C ATOM 1095 O GLN A 64 17.330 -10.426 10.183 1.00 25.00 O ATOM 1096 CB GLN A 64 14.483 -11.666 11.301 1.00 25.00 C ATOM 1097 CG GLN A 64 15.508 -12.343 12.198 1.00 25.00 C ATOM 1098 CD GLN A 64 14.934 -13.568 12.875 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.601 -13.540 14.050 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.800 -14.637 12.137 1.00 25.00 N ATOM 0 H GLN A 64 13.078 -10.381 9.759 1.00 25.00 H new ATOM 0 HA GLN A 64 15.270 -9.663 11.397 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.598 -11.431 11.892 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.173 -12.369 10.528 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.378 -12.628 11.606 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.853 -11.637 12.954 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.090 -14.621 11.159 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.405 -15.488 12.538 1.00 25.00 H new ATOM 1109 N ASP A 65 15.988 -11.238 8.595 1.00 25.00 N ATOM 1110 CA ASP A 65 17.095 -11.573 7.703 1.00 25.00 C ATOM 1111 C ASP A 65 17.809 -10.306 7.247 1.00 25.00 C ATOM 1112 O ASP A 65 19.030 -10.178 7.341 1.00 25.00 O ATOM 1113 CB ASP A 65 16.561 -12.324 6.491 1.00 25.00 C ATOM 1114 CG ASP A 65 17.659 -13.023 5.712 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.676 -13.405 6.331 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.492 -13.219 4.493 1.00 25.00 O ATOM 0 H ASP A 65 15.063 -11.460 8.227 1.00 25.00 H new ATOM 0 HA ASP A 65 17.805 -12.202 8.240 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.827 -13.060 6.818 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.042 -11.626 5.834 1.00 25.00 H new ATOM 1121 N TYR A 66 17.021 -9.335 6.820 1.00 25.00 N ATOM 1122 CA TYR A 66 17.542 -8.050 6.367 1.00 25.00 C ATOM 1123 C TYR A 66 18.311 -7.361 7.509 1.00 25.00 C ATOM 1124 O TYR A 66 19.363 -6.746 7.299 1.00 25.00 O ATOM 1125 CB TYR A 66 16.351 -7.199 5.902 1.00 25.00 C ATOM 1126 CG TYR A 66 16.653 -6.016 4.988 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.951 -5.761 4.477 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.607 -5.148 4.604 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.181 -4.665 3.595 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.838 -4.061 3.725 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.118 -3.834 3.226 1.00 25.00 C ATOM 1132 OH TYR A 66 17.318 -2.787 2.362 1.00 25.00 O ATOM 0 H TYR A 66 16.005 -9.411 6.776 1.00 25.00 H new ATOM 0 HA TYR A 66 18.240 -8.183 5.541 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.649 -7.854 5.386 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.841 -6.820 6.787 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.773 -6.403 4.759 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.612 -5.316 4.988 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.173 -4.477 3.213 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.024 -3.410 3.443 1.00 25.00 H new ATOM 0 HH TYR A 66 16.471 -2.317 2.216 1.00 25.00 H new ATOM 1142 N PHE A 67 17.802 -7.514 8.724 1.00 25.00 N ATOM 1143 CA PHE A 67 18.438 -6.945 9.915 1.00 25.00 C ATOM 1144 C PHE A 67 19.737 -7.657 10.277 1.00 25.00 C ATOM 1145 O PHE A 67 20.687 -7.019 10.684 1.00 25.00 O ATOM 1146 CB PHE A 67 17.471 -7.032 11.100 1.00 25.00 C ATOM 1147 CG PHE A 67 18.001 -6.432 12.378 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.789 -7.199 13.260 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.690 -5.105 12.723 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.272 -6.643 14.470 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.156 -4.544 13.933 1.00 25.00 C ATOM 1152 CZ PHE A 67 18.953 -5.312 14.806 1.00 25.00 C ATOM 0 H PHE A 67 16.944 -8.031 8.916 1.00 25.00 H new ATOM 0 HA PHE A 67 18.681 -5.907 9.690 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.542 -6.528 10.834 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.226 -8.079 11.278 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.027 -8.222 13.010 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.088 -4.507 12.055 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.883 -7.237 15.133 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.901 -3.526 14.189 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.317 -4.883 15.728 1.00 25.00 H new ATOM 1162 N ASN A 68 19.795 -8.974 10.156 1.00 25.00 N ATOM 1163 CA ASN A 68 21.011 -9.693 10.545 1.00 25.00 C ATOM 1164 C ASN A 68 22.134 -9.402 9.555 1.00 25.00 C ATOM 1165 O ASN A 68 23.296 -9.300 9.927 1.00 25.00 O ATOM 1166 CB ASN A 68 20.741 -11.202 10.681 1.00 25.00 C ATOM 1167 CG ASN A 68 21.342 -12.025 9.558 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.535 -12.384 8.608 1.00 25.00 O flip ATOM 1169 ND2 ASN A 68 22.508 -12.375 9.590 1.00 25.00 N flip ATOM 0 H ASN A 68 19.039 -9.560 9.802 1.00 25.00 H new ATOM 0 HA ASN A 68 21.330 -9.338 11.525 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.142 -11.551 11.632 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.664 -11.370 10.709 1.00 25.00 H new ATOM 0 HD21 ASN A 68 23.111 -12.071 10.355 1.00 25.00 H new ATOM 0 HD22 ASN A 68 22.882 -12.972 8.852 1.00 25.00 H new ATOM 1176 N THR A 69 21.756 -9.207 8.303 1.00 25.00 N ATOM 1177 CA THR A 69 22.715 -8.909 7.241 1.00 25.00 C ATOM 1178 C THR A 69 23.412 -7.546 7.411 1.00 25.00 C ATOM 1179 O THR A 69 24.609 -7.426 7.149 1.00 25.00 O ATOM 1180 CB THR A 69 22.006 -8.938 5.859 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.293 -10.170 5.716 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.004 -8.864 4.714 1.00 25.00 C ATOM 0 H THR A 69 20.786 -9.249 7.991 1.00 25.00 H new ATOM 0 HA THR A 69 23.483 -9.680 7.302 1.00 25.00 H new ATOM 0 HB THR A 69 21.339 -8.077 5.819 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.477 -10.140 6.257 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.470 -8.887 3.764 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.574 -7.938 4.788 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.684 -9.714 4.769 1.00 25.00 H new ATOM 1190 N PHE A 70 22.673 -6.514 7.810 1.00 25.00 N ATOM 1191 CA PHE A 70 23.238 -5.151 7.869 1.00 25.00 C ATOM 1192 C PHE A 70 23.114 -4.417 9.213 1.00 25.00 C ATOM 1193 O PHE A 70 23.518 -3.258 9.332 1.00 25.00 O ATOM 1194 CB PHE A 70 22.567 -4.295 6.804 1.00 25.00 C ATOM 1195 CG PHE A 70 22.783 -4.778 5.403 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.049 -4.671 4.796 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.717 -5.327 4.668 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.254 -5.107 3.465 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.904 -5.761 3.333 1.00 25.00 C ATOM 1200 CZ PHE A 70 23.177 -5.651 2.731 1.00 25.00 C ATOM 0 H PHE A 70 21.696 -6.583 8.095 1.00 25.00 H new ATOM 0 HA PHE A 70 24.307 -5.289 7.709 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.496 -4.260 7.003 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.940 -3.274 6.886 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.874 -4.251 5.353 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.744 -5.419 5.127 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.231 -5.024 3.012 1.00 25.00 H new ATOM 0 HE2 PHE A 70 21.076 -6.175 2.777 1.00 25.00 H new ATOM 0 HZ PHE A 70 23.326 -5.981 1.714 1.00 25.00 H new ATOM 1210 N GLY A 71 22.553 -5.063 10.218 1.00 25.00 N ATOM 1211 CA GLY A 71 22.404 -4.439 11.524 1.00 25.00 C ATOM 1212 C GLY A 71 21.247 -3.453 11.624 1.00 25.00 C ATOM 1213 O GLY A 71 20.454 -3.290 10.680 1.00 25.00 O ATOM 0 H GLY A 71 22.194 -6.016 10.158 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.265 -5.220 12.272 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.330 -3.920 11.773 1.00 25.00 H new ATOM 1217 N PRO A 72 21.131 -2.744 12.765 1.00 25.00 N ATOM 1218 CA PRO A 72 20.042 -1.779 12.969 1.00 25.00 C ATOM 1219 C PRO A 72 20.175 -0.517 12.126 1.00 25.00 C ATOM 1220 O PRO A 72 19.245 0.280 12.033 1.00 25.00 O ATOM 1221 CB PRO A 72 20.150 -1.454 14.460 1.00 25.00 C ATOM 1222 CG PRO A 72 21.587 -1.607 14.757 1.00 25.00 C ATOM 1223 CD PRO A 72 22.011 -2.810 13.951 1.00 25.00 C ATOM 0 HA PRO A 72 19.079 -2.190 12.666 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.804 -0.443 14.674 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.544 -2.132 15.061 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.149 -0.718 14.470 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.758 -1.762 15.822 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.064 -2.760 13.675 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.871 -3.737 14.506 1.00 25.00 H new ATOM 1231 N GLU A 73 21.325 -0.361 11.487 1.00 25.00 N ATOM 1232 CA GLU A 73 21.593 0.784 10.625 1.00 25.00 C ATOM 1233 C GLU A 73 20.765 0.692 9.344 1.00 25.00 C ATOM 1234 O GLU A 73 20.569 1.683 8.641 1.00 25.00 O ATOM 1235 CB GLU A 73 23.082 0.816 10.257 1.00 25.00 C ATOM 1236 CG GLU A 73 24.022 0.706 11.460 1.00 25.00 C ATOM 1237 CD GLU A 73 23.737 1.753 12.526 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.808 2.961 12.221 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.429 1.359 13.673 1.00 25.00 O ATOM 0 H GLU A 73 22.099 -1.023 11.550 1.00 25.00 H new ATOM 0 HA GLU A 73 21.323 1.693 11.162 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.293 -0.002 9.568 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.295 1.744 9.726 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.929 -0.288 11.899 1.00 25.00 H new ATOM 0 HG3 GLU A 73 25.053 0.810 11.121 1.00 25.00 H new ATOM 1246 N LYS A 74 20.297 -0.512 9.033 1.00 25.00 N ATOM 1247 CA LYS A 74 19.521 -0.741 7.814 1.00 25.00 C ATOM 1248 C LYS A 74 18.047 -0.959 8.085 1.00 25.00 C ATOM 1249 O LYS A 74 17.203 -0.384 7.401 1.00 25.00 O ATOM 1250 CB LYS A 74 20.086 -1.943 7.075 1.00 25.00 C ATOM 1251 CG LYS A 74 19.643 -2.059 5.627 1.00 25.00 C ATOM 1252 CD LYS A 74 20.363 -1.044 4.750 1.00 25.00 C ATOM 1253 CE LYS A 74 19.914 -1.167 3.311 1.00 25.00 C ATOM 1254 NZ LYS A 74 20.625 -0.182 2.438 1.00 25.00 N ATOM 0 H LYS A 74 20.440 -1.344 9.605 1.00 25.00 H new ATOM 0 HA LYS A 74 19.603 0.160 7.205 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.174 -1.893 7.106 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.793 -2.849 7.605 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.843 -3.066 5.262 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.566 -1.904 5.559 1.00 25.00 H new ATOM 0 HD2 LYS A 74 20.164 -0.036 5.113 1.00 25.00 H new ATOM 0 HD3 LYS A 74 21.440 -1.199 4.815 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.104 -2.179 2.953 1.00 25.00 H new ATOM 0 HE3 LYS A 74 18.838 -1.004 3.247 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 20.298 -0.288 1.457 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 20.423 0.783 2.768 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 21.650 -0.355 2.482 1.00 25.00 H new ATOM 1268 N VAL A 75 17.725 -1.766 9.085 1.00 25.00 N ATOM 1269 CA VAL A 75 16.327 -1.964 9.456 1.00 25.00 C ATOM 1270 C VAL A 75 16.195 -1.450 10.878 1.00 25.00 C ATOM 1271 O VAL A 75 16.958 -1.848 11.754 1.00 25.00 O ATOM 1272 CB VAL A 75 15.950 -3.477 9.403 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.491 -3.714 9.841 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.158 -4.023 7.994 1.00 25.00 C ATOM 0 H VAL A 75 18.398 -2.287 9.647 1.00 25.00 H new ATOM 0 HA VAL A 75 15.662 -1.440 8.770 1.00 25.00 H new ATOM 0 HB VAL A 75 16.603 -4.003 10.099 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.265 -4.779 9.791 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.356 -3.362 10.864 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.819 -3.169 9.178 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.891 -5.080 7.970 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.528 -3.474 7.294 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.204 -3.906 7.709 1.00 25.00 H new ATOM 1284 N PRO A 76 15.188 -0.606 11.149 1.00 25.00 N ATOM 1285 CA PRO A 76 15.130 -0.135 12.532 1.00 25.00 C ATOM 1286 C PRO A 76 14.453 -1.124 13.463 1.00 25.00 C ATOM 1287 O PRO A 76 13.540 -1.846 13.070 1.00 25.00 O ATOM 1288 CB PRO A 76 14.312 1.141 12.412 1.00 25.00 C ATOM 1289 CG PRO A 76 13.376 0.879 11.294 1.00 25.00 C ATOM 1290 CD PRO A 76 14.151 0.029 10.310 1.00 25.00 C ATOM 0 HA PRO A 76 16.121 0.006 12.964 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.776 1.357 13.336 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.948 2.002 12.204 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.483 0.360 11.643 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.044 1.810 10.833 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.513 -0.713 9.830 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.591 0.633 9.516 1.00 25.00 H new ATOM 1298 N VAL A 77 14.827 -1.100 14.730 1.00 25.00 N ATOM 1299 CA VAL A 77 14.192 -1.971 15.717 1.00 25.00 C ATOM 1300 C VAL A 77 12.716 -1.594 15.933 1.00 25.00 C ATOM 1301 O VAL A 77 11.908 -2.427 16.344 1.00 25.00 O ATOM 1302 CB VAL A 77 14.965 -1.968 17.061 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.361 -2.584 16.867 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.102 -0.545 17.615 1.00 25.00 C ATOM 0 H VAL A 77 15.559 -0.495 15.102 1.00 25.00 H new ATOM 0 HA VAL A 77 14.224 -2.985 15.318 1.00 25.00 H new ATOM 0 HB VAL A 77 14.400 -2.564 17.777 1.00 25.00 H new ATOM 0 HG11 VAL A 77 16.897 -2.578 17.816 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.260 -3.610 16.514 1.00 25.00 H new ATOM 0 HG13 VAL A 77 16.917 -2.001 16.133 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.648 -0.573 18.558 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.644 0.073 16.900 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.111 -0.123 17.782 1.00 25.00 H new ATOM 1314 N THR A 78 12.335 -0.368 15.585 1.00 25.00 N ATOM 1315 CA THR A 78 10.930 0.037 15.699 1.00 25.00 C ATOM 1316 C THR A 78 10.077 -0.655 14.654 1.00 25.00 C ATOM 1317 O THR A 78 8.888 -0.845 14.858 1.00 25.00 O ATOM 1318 CB THR A 78 10.726 1.578 15.606 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.355 1.901 15.830 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.145 2.171 14.269 1.00 25.00 C ATOM 0 H THR A 78 12.962 0.353 15.228 1.00 25.00 H new ATOM 0 HA THR A 78 10.612 -0.272 16.694 1.00 25.00 H new ATOM 0 HB THR A 78 11.369 2.010 16.373 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.234 2.872 15.771 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.974 3.247 14.279 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.203 1.973 14.099 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.558 1.718 13.470 1.00 25.00 H new ATOM 1328 N ALA A 79 10.676 -1.090 13.556 1.00 25.00 N ATOM 1329 CA ALA A 79 9.906 -1.781 12.538 1.00 25.00 C ATOM 1330 C ALA A 79 9.383 -3.100 13.108 1.00 25.00 C ATOM 1331 O ALA A 79 8.253 -3.476 12.852 1.00 25.00 O ATOM 1332 CB ALA A 79 10.753 -2.013 11.313 1.00 25.00 C ATOM 0 H ALA A 79 11.669 -0.980 13.351 1.00 25.00 H new ATOM 0 HA ALA A 79 9.055 -1.168 12.242 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.164 -2.532 10.557 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.090 -1.055 10.917 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.619 -2.620 11.579 1.00 25.00 H new ATOM 1338 N PHE A 80 10.183 -3.762 13.935 1.00 25.00 N ATOM 1339 CA PHE A 80 9.752 -5.003 14.582 1.00 25.00 C ATOM 1340 C PHE A 80 8.715 -4.716 15.658 1.00 25.00 C ATOM 1341 O PHE A 80 7.825 -5.518 15.908 1.00 25.00 O ATOM 1342 CB PHE A 80 10.934 -5.712 15.239 1.00 25.00 C ATOM 1343 CG PHE A 80 12.009 -6.104 14.277 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.050 -5.211 13.980 1.00 25.00 C ATOM 1345 CD2 PHE A 80 11.997 -7.371 13.666 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.078 -5.567 13.095 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.021 -7.747 12.773 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.062 -6.841 12.482 1.00 25.00 C ATOM 0 H PHE A 80 11.129 -3.466 14.175 1.00 25.00 H new ATOM 0 HA PHE A 80 9.322 -5.639 13.808 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.360 -5.059 16.001 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.573 -6.604 15.750 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.060 -4.234 14.440 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.196 -8.062 13.883 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.877 -4.872 12.883 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.008 -8.724 12.314 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.845 -7.120 11.793 1.00 25.00 H new ATOM 1358 N SER A 81 8.840 -3.569 16.307 1.00 25.00 N ATOM 1359 CA SER A 81 7.909 -3.191 17.371 1.00 25.00 C ATOM 1360 C SER A 81 6.535 -2.941 16.761 1.00 25.00 C ATOM 1361 O SER A 81 5.525 -3.470 17.226 1.00 25.00 O ATOM 1362 CB SER A 81 8.401 -1.935 18.096 1.00 25.00 C ATOM 1363 OG SER A 81 7.542 -1.597 19.170 1.00 25.00 O ATOM 0 H SER A 81 9.572 -2.883 16.121 1.00 25.00 H new ATOM 0 HA SER A 81 7.847 -4.000 18.099 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.411 -2.100 18.472 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.455 -1.103 17.394 1.00 25.00 H new ATOM 0 HG SER A 81 7.879 -0.793 19.618 1.00 25.00 H new ATOM 1369 N TYR A 82 6.515 -2.196 15.667 1.00 25.00 N ATOM 1370 CA TYR A 82 5.282 -1.946 14.939 1.00 25.00 C ATOM 1371 C TYR A 82 4.749 -3.242 14.369 1.00 25.00 C ATOM 1372 O TYR A 82 3.571 -3.531 14.476 1.00 25.00 O ATOM 1373 CB TYR A 82 5.527 -0.960 13.804 1.00 25.00 C ATOM 1374 CG TYR A 82 5.241 0.458 14.205 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.208 1.248 14.870 1.00 25.00 C ATOM 1376 CD2 TYR A 82 3.987 1.024 13.924 1.00 25.00 C ATOM 1377 CE1 TYR A 82 5.917 2.592 15.235 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.696 2.366 14.285 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.664 3.135 14.930 1.00 25.00 C ATOM 1380 OH TYR A 82 4.372 4.433 15.249 1.00 25.00 O ATOM 0 H TYR A 82 7.341 -1.753 15.263 1.00 25.00 H new ATOM 0 HA TYR A 82 4.552 -1.522 15.629 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.563 -1.040 13.475 1.00 25.00 H new ATOM 0 HB3 TYR A 82 4.901 -1.227 12.953 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.175 0.827 15.103 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.234 0.431 13.427 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.659 3.189 15.744 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.728 2.790 14.061 1.00 25.00 H new ATOM 0 HH TYR A 82 4.655 5.021 14.518 1.00 25.00 H new ATOM 1390 N TRP A 83 5.625 -4.053 13.803 1.00 25.00 N ATOM 1391 CA TRP A 83 5.218 -5.327 13.234 1.00 25.00 C ATOM 1392 C TRP A 83 4.510 -6.190 14.274 1.00 25.00 C ATOM 1393 O TRP A 83 3.529 -6.862 13.968 1.00 25.00 O ATOM 1394 CB TRP A 83 6.451 -6.071 12.715 1.00 25.00 C ATOM 1395 CG TRP A 83 6.152 -7.420 12.157 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.786 -7.727 10.888 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.217 -8.686 12.850 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.604 -9.066 10.728 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.862 -9.693 11.913 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.543 -9.072 14.169 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.826 -11.056 12.250 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.524 -10.446 14.506 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.163 -11.424 13.539 1.00 25.00 C ATOM 0 H TRP A 83 6.622 -3.853 13.725 1.00 25.00 H new ATOM 0 HA TRP A 83 4.525 -5.132 12.416 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.929 -5.467 11.944 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.169 -6.176 13.528 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.655 -6.999 10.101 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.321 -9.527 9.863 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.803 -8.330 14.909 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.542 -11.799 11.519 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.786 -10.755 15.507 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.152 -12.468 13.815 1.00 25.00 H new ATOM 1414 N ASN A 84 4.995 -6.145 15.507 1.00 25.00 N ATOM 1415 CA ASN A 84 4.435 -6.944 16.600 1.00 25.00 C ATOM 1416 C ASN A 84 3.044 -6.463 17.000 1.00 25.00 C ATOM 1417 O ASN A 84 2.193 -7.263 17.384 1.00 25.00 O ATOM 1418 CB ASN A 84 5.353 -6.902 17.824 1.00 25.00 C ATOM 1419 CG ASN A 84 6.277 -8.089 17.892 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.866 -9.182 18.256 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.513 -7.895 17.536 1.00 25.00 N ATOM 0 H ASN A 84 5.783 -5.559 15.782 1.00 25.00 H new ATOM 0 HA ASN A 84 4.354 -7.968 16.236 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.944 -5.986 17.800 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.746 -6.866 18.729 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.177 -8.669 17.555 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.819 -6.969 17.238 1.00 25.00 H new ATOM 1428 N LEU A 85 2.805 -5.167 16.872 1.00 25.00 N ATOM 1429 CA LEU A 85 1.502 -4.586 17.187 1.00 25.00 C ATOM 1430 C LEU A 85 0.445 -5.154 16.238 1.00 25.00 C ATOM 1431 O LEU A 85 -0.654 -5.506 16.652 1.00 25.00 O ATOM 1432 CB LEU A 85 1.594 -3.055 17.074 1.00 25.00 C ATOM 1433 CG LEU A 85 0.370 -2.216 17.473 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.843 -0.846 17.971 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.590 -2.017 16.296 1.00 25.00 C ATOM 0 H LEU A 85 3.498 -4.491 16.551 1.00 25.00 H new ATOM 0 HA LEU A 85 1.210 -4.840 18.206 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.434 -2.727 17.686 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.839 -2.813 16.040 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.165 -2.750 18.259 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.020 -0.245 18.256 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.495 -0.978 18.835 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.392 -0.340 17.177 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.442 -1.419 16.619 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.072 -1.503 15.487 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.940 -2.987 15.944 1.00 25.00 H new ATOM 1447 N ILE A 86 0.784 -5.276 14.965 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.151 -5.840 13.990 1.00 25.00 C ATOM 1449 C ILE A 86 -0.150 -7.368 14.085 1.00 25.00 C ATOM 1450 O ILE A 86 -1.172 -8.016 13.874 1.00 25.00 O ATOM 1451 CB ILE A 86 0.176 -5.377 12.546 1.00 25.00 C ATOM 1452 CG1 ILE A 86 -0.031 -3.857 12.416 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.760 -6.059 11.531 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.226 -3.013 12.567 1.00 25.00 C ATOM 0 H ILE A 86 1.687 -4.998 14.580 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.149 -5.471 14.228 1.00 25.00 H new ATOM 0 HB ILE A 86 1.213 -5.645 12.342 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.473 -3.649 11.441 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.754 -3.540 13.168 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.514 -5.721 10.525 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.636 -7.140 11.591 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.794 -5.800 11.758 1.00 25.00 H new ATOM 0 HD11 ILE A 86 0.972 -1.959 12.459 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.662 -3.182 13.552 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.947 -3.293 11.799 1.00 25.00 H new ATOM 1466 N LYS A 87 0.978 -7.946 14.465 1.00 25.00 N ATOM 1467 CA LYS A 87 1.087 -9.392 14.636 1.00 25.00 C ATOM 1468 C LYS A 87 0.036 -9.879 15.619 1.00 25.00 C ATOM 1469 O LYS A 87 -0.697 -10.810 15.321 1.00 25.00 O ATOM 1470 CB LYS A 87 2.487 -9.728 15.148 1.00 25.00 C ATOM 1471 CG LYS A 87 2.786 -11.183 15.366 1.00 25.00 C ATOM 1472 CD LYS A 87 3.871 -11.312 16.426 1.00 25.00 C ATOM 1473 CE LYS A 87 3.258 -11.437 17.828 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.316 -11.474 18.890 1.00 25.00 N ATOM 0 H LYS A 87 1.838 -7.435 14.663 1.00 25.00 H new ATOM 0 HA LYS A 87 0.922 -9.889 13.680 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.214 -9.332 14.439 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.642 -9.202 16.090 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.886 -11.709 15.683 1.00 25.00 H new ATOM 0 HG3 LYS A 87 3.113 -11.644 14.434 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.488 -12.186 16.216 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.527 -10.442 16.388 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.588 -10.596 18.010 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.654 -12.343 17.883 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.869 -11.422 19.828 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.855 -12.360 18.812 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.959 -10.666 18.768 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.064 -9.246 16.777 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.051 -9.678 17.765 1.00 25.00 C ATOM 1490 C GLU A 88 -2.474 -9.336 17.311 1.00 25.00 C ATOM 1491 O GLU A 88 -3.411 -10.053 17.639 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.754 -9.083 19.150 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.897 -7.574 19.248 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.572 -7.056 20.634 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.609 -7.079 21.024 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.502 -6.574 21.322 1.00 25.00 O ATOM 0 H GLU A 88 0.509 -8.450 17.056 1.00 25.00 H new ATOM 0 HA GLU A 88 -0.979 -10.762 17.850 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.423 -9.544 19.877 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.262 -9.355 19.435 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.237 -7.100 18.521 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.916 -7.290 18.986 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.633 -8.284 16.516 1.00 25.00 N ATOM 1504 CA LEU A 89 -3.955 -7.915 16.009 1.00 25.00 C ATOM 1505 C LEU A 89 -4.496 -8.985 15.065 1.00 25.00 C ATOM 1506 O LEU A 89 -5.659 -9.344 15.152 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.912 -6.568 15.277 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.022 -5.291 16.130 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.690 -4.070 15.271 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.427 -5.114 16.715 1.00 25.00 C ATOM 0 H LEU A 89 -1.874 -7.676 16.210 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.618 -7.829 16.870 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.978 -6.519 14.717 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.722 -6.556 14.547 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.316 -5.386 16.955 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.768 -3.167 15.876 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.675 -4.161 14.886 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.390 -4.010 14.438 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.461 -4.201 17.310 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.153 -5.046 15.905 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.668 -5.968 17.347 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.661 -9.500 14.172 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.105 -10.522 13.217 1.00 25.00 C ATOM 1524 C ILE A 90 -4.235 -11.880 13.914 1.00 25.00 C ATOM 1525 O ILE A 90 -5.175 -12.641 13.651 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.115 -10.678 12.019 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.952 -9.349 11.260 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.639 -11.736 11.017 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.805 -9.365 10.235 1.00 25.00 C ATOM 0 H ILE A 90 -2.680 -9.234 14.084 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.071 -10.193 12.833 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.155 -10.988 12.432 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.885 -9.116 10.746 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.776 -8.549 11.979 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.937 -11.832 10.189 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.738 -12.697 11.521 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.611 -11.425 10.635 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.748 -8.397 9.738 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.863 -9.567 10.746 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.990 -10.143 9.494 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.302 -12.180 14.808 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.309 -13.459 15.532 1.00 25.00 C ATOM 1543 C ASP A 91 -4.584 -13.561 16.371 1.00 25.00 C ATOM 1544 O ASP A 91 -5.200 -14.616 16.468 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.062 -13.554 16.422 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.811 -14.958 16.941 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.298 -15.288 18.038 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.026 -15.698 16.291 1.00 25.00 O ATOM 0 H ASP A 91 -2.529 -11.561 15.054 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.291 -14.286 14.823 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.192 -13.221 15.856 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.172 -12.874 17.267 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.018 -12.426 16.905 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.247 -12.345 17.695 1.00 25.00 C ATOM 1555 C LYS A 92 -7.323 -11.545 16.970 1.00 25.00 C ATOM 1556 O LYS A 92 -8.077 -10.802 17.599 1.00 25.00 O ATOM 1557 CB LYS A 92 -5.941 -11.720 19.064 1.00 25.00 C ATOM 1558 CG LYS A 92 -4.956 -12.531 19.928 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.510 -13.921 20.336 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.695 -13.851 21.310 1.00 25.00 C ATOM 1561 NZ LYS A 92 -6.320 -13.224 22.621 1.00 25.00 N ATOM 0 H LYS A 92 -4.531 -11.535 16.805 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.631 -13.355 17.838 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.533 -10.721 18.911 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -6.875 -11.602 19.613 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.024 -12.664 19.378 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.717 -11.963 20.827 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.820 -14.457 19.439 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -4.709 -14.502 20.793 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -7.503 -13.279 20.854 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -7.077 -14.857 21.487 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -7.116 -13.306 23.285 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.490 -13.711 23.014 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -6.094 -12.220 22.473 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.421 -11.716 15.656 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.431 -10.997 14.853 1.00 25.00 C ATOM 1577 C LYS A 93 -9.854 -11.308 15.324 1.00 25.00 C ATOM 1578 O LYS A 93 -10.757 -10.506 15.165 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.276 -11.323 13.353 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.621 -12.780 12.969 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.570 -13.026 11.448 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.147 -13.134 10.885 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.422 -14.351 11.403 1.00 25.00 N ATOM 0 H LYS A 93 -6.821 -12.341 15.117 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.259 -9.930 14.996 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.915 -10.650 12.781 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.248 -11.117 13.055 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.925 -13.456 13.465 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.618 -13.022 13.338 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.112 -13.944 11.220 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -9.091 -12.214 10.940 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.190 -13.175 9.797 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.585 -12.238 11.148 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.802 -14.729 10.658 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -5.849 -14.088 12.230 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.114 -15.076 11.679 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.009 -12.461 15.958 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.283 -12.920 16.509 1.00 25.00 C ATOM 1599 C GLU A 94 -11.876 -11.943 17.527 1.00 25.00 C ATOM 1600 O GLU A 94 -13.072 -11.680 17.530 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.012 -14.259 17.199 1.00 25.00 C ATOM 1602 CG GLU A 94 -12.182 -14.881 17.920 1.00 25.00 C ATOM 1603 CD GLU A 94 -11.742 -16.103 18.701 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -11.455 -17.142 18.070 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -11.566 -15.988 19.935 1.00 25.00 O ATOM 0 H GLU A 94 -9.243 -13.117 16.108 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.007 -13.005 15.699 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.655 -14.966 16.450 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.202 -14.119 17.915 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -12.628 -14.152 18.597 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -12.952 -15.161 17.201 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.026 -11.412 18.391 1.00 25.00 N ATOM 1613 CA VAL A 95 -11.471 -10.533 19.478 1.00 25.00 C ATOM 1614 C VAL A 95 -11.171 -9.073 19.151 1.00 25.00 C ATOM 1615 O VAL A 95 -11.338 -8.186 19.981 1.00 25.00 O ATOM 1616 CB VAL A 95 -10.821 -10.947 20.833 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.296 -12.354 21.239 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.286 -10.939 20.745 1.00 25.00 C ATOM 0 H VAL A 95 -10.019 -11.571 18.366 1.00 25.00 H new ATOM 0 HA VAL A 95 -12.551 -10.641 19.579 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.130 -10.219 21.583 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -10.836 -12.634 22.187 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.381 -12.355 21.348 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.008 -13.071 20.470 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -8.865 -11.232 21.707 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -8.962 -11.642 19.977 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -8.941 -9.937 20.488 1.00 25.00 H new ATOM 1628 N ASN A 96 -10.768 -8.829 17.913 1.00 25.00 N ATOM 1629 CA ASN A 96 -10.531 -7.474 17.416 1.00 25.00 C ATOM 1630 C ASN A 96 -11.388 -7.288 16.161 1.00 25.00 C ATOM 1631 O ASN A 96 -10.881 -7.348 15.041 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.047 -7.277 17.075 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.189 -7.103 18.297 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -8.117 -6.026 18.865 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -7.504 -8.140 18.686 1.00 25.00 N ATOM 0 H ASN A 96 -10.595 -9.560 17.223 1.00 25.00 H new ATOM 0 HA ASN A 96 -10.796 -6.740 18.177 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -8.692 -8.136 16.506 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -8.939 -6.403 16.433 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -6.881 -8.067 19.491 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -7.590 -9.025 18.186 1.00 25.00 H new ATOM 1642 N PRO A 97 -12.702 -7.051 16.323 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.527 -6.988 15.109 1.00 25.00 C ATOM 1644 C PRO A 97 -13.225 -5.800 14.199 1.00 25.00 C ATOM 1645 O PRO A 97 -13.548 -5.822 13.014 1.00 25.00 O ATOM 1646 CB PRO A 97 -14.952 -6.918 15.669 1.00 25.00 C ATOM 1647 CG PRO A 97 -14.793 -6.276 16.998 1.00 25.00 C ATOM 1648 CD PRO A 97 -13.521 -6.875 17.538 1.00 25.00 C ATOM 0 HA PRO A 97 -13.341 -7.842 14.458 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.606 -6.334 15.021 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.394 -7.910 15.757 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -14.719 -5.192 16.912 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -15.642 -6.487 17.648 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.038 -6.216 18.260 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -13.703 -7.823 18.044 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.562 -4.781 14.729 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.192 -3.625 13.920 1.00 25.00 C ATOM 1658 C GLN A 98 -11.158 -4.081 12.914 1.00 25.00 C ATOM 1659 O GLN A 98 -11.261 -3.811 11.729 1.00 25.00 O ATOM 1660 CB GLN A 98 -11.581 -2.502 14.776 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.530 -1.858 15.794 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.799 -2.737 17.007 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.052 -3.661 17.298 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.872 -2.468 17.699 1.00 25.00 N ATOM 0 H GLN A 98 -12.271 -4.730 15.705 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.087 -3.231 13.437 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -10.721 -2.904 15.311 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.208 -1.724 14.110 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.106 -0.911 16.127 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.476 -1.628 15.304 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.472 -1.689 17.427 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.111 -3.036 18.512 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.150 -4.790 13.393 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.074 -5.206 12.519 1.00 25.00 C ATOM 1675 C VAL A 99 -9.537 -6.333 11.609 1.00 25.00 C ATOM 1676 O VAL A 99 -9.044 -6.465 10.512 1.00 25.00 O ATOM 1677 CB VAL A 99 -7.808 -5.597 13.319 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.777 -7.097 13.637 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.572 -5.176 12.542 1.00 25.00 C ATOM 0 H VAL A 99 -10.057 -5.084 14.365 1.00 25.00 H new ATOM 0 HA VAL A 99 -8.798 -4.358 11.892 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.826 -5.075 14.275 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -6.873 -7.331 14.199 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.652 -7.361 14.231 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.784 -7.666 12.707 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.679 -5.450 13.103 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.562 -5.679 11.575 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.588 -4.097 12.390 1.00 25.00 H new ATOM 1689 N MET A 100 -10.528 -7.103 12.032 1.00 25.00 N ATOM 1690 CA MET A 100 -11.061 -8.178 11.202 1.00 25.00 C ATOM 1691 C MET A 100 -11.718 -7.587 9.951 1.00 25.00 C ATOM 1692 O MET A 100 -11.571 -8.107 8.853 1.00 25.00 O ATOM 1693 CB MET A 100 -12.075 -8.982 12.004 1.00 25.00 C ATOM 1694 CG MET A 100 -11.913 -10.498 11.913 1.00 25.00 C ATOM 1695 SD MET A 100 -11.795 -11.142 10.227 1.00 25.00 S ATOM 1696 CE MET A 100 -13.481 -10.926 9.616 1.00 25.00 C ATOM 0 H MET A 100 -10.980 -7.006 12.941 1.00 25.00 H new ATOM 0 HA MET A 100 -10.251 -8.838 10.892 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.005 -8.686 13.051 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.076 -8.718 11.665 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.017 -10.788 12.462 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.760 -10.971 12.410 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.544 -11.283 8.588 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.170 -11.494 10.241 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.748 -9.870 9.650 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.377 -6.448 10.104 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.959 -5.755 8.958 1.00 25.00 C ATOM 1708 C ALA A 101 -11.850 -5.255 8.018 1.00 25.00 C ATOM 1709 O ALA A 101 -12.047 -5.131 6.811 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.823 -4.584 9.442 1.00 25.00 C ATOM 0 H ALA A 101 -12.523 -5.985 11.001 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.589 -6.451 8.404 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.255 -4.071 8.583 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.623 -4.961 10.079 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.206 -3.887 10.009 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.684 -4.970 8.582 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.545 -4.500 7.809 1.00 25.00 C ATOM 1718 C ALA A 102 -8.861 -5.660 7.088 1.00 25.00 C ATOM 1719 O ALA A 102 -8.272 -5.452 6.042 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.551 -3.797 8.717 1.00 25.00 C ATOM 0 H ALA A 102 -10.503 -5.058 9.582 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.908 -3.795 7.061 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.703 -3.449 8.128 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.034 -2.945 9.195 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.202 -4.492 9.481 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.941 -6.867 7.640 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.332 -8.049 7.010 1.00 25.00 C ATOM 1728 C VAL A 103 -8.928 -8.189 5.619 1.00 25.00 C ATOM 1729 O VAL A 103 -8.207 -8.226 4.626 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.625 -9.363 7.838 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.213 -10.632 7.087 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.900 -9.324 9.186 1.00 25.00 C ATOM 0 H VAL A 103 -9.419 -7.059 8.520 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.251 -7.918 6.970 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.703 -9.396 7.994 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.436 -11.506 7.700 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.766 -10.696 6.150 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.144 -10.599 6.876 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -8.114 -10.237 9.741 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.826 -9.244 9.019 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.243 -8.462 9.759 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.251 -8.210 5.558 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.950 -8.413 4.293 1.00 25.00 C ATOM 1744 C ALA A 104 -10.733 -7.231 3.351 1.00 25.00 C ATOM 1745 O ALA A 104 -10.530 -7.400 2.156 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.447 -8.622 4.556 1.00 25.00 C ATOM 0 H ALA A 104 -10.863 -8.090 6.365 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.544 -9.302 3.811 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.965 -8.773 3.609 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.586 -9.498 5.190 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.855 -7.744 5.056 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.766 -6.025 3.898 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.562 -4.836 3.081 1.00 25.00 C ATOM 1754 C GLN A 105 -9.170 -4.805 2.470 1.00 25.00 C ATOM 1755 O GLN A 105 -9.010 -4.392 1.336 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.767 -3.574 3.911 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.220 -3.185 4.048 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.383 -1.856 4.737 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.075 -0.812 4.181 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.863 -1.884 5.948 1.00 25.00 N ATOM 0 H GLN A 105 -10.929 -5.844 4.888 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.296 -4.873 2.276 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.343 -3.726 4.903 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.218 -2.751 3.452 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.679 -3.140 3.060 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.750 -3.953 4.611 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.109 -2.775 6.379 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -12.993 -1.015 6.465 1.00 25.00 H new ATOM 1769 N THR A 106 -8.162 -5.225 3.216 1.00 25.00 N ATOM 1770 CA THR A 106 -6.797 -5.189 2.706 1.00 25.00 C ATOM 1771 C THR A 106 -6.657 -6.185 1.563 1.00 25.00 C ATOM 1772 O THR A 106 -6.080 -5.861 0.538 1.00 25.00 O ATOM 1773 CB THR A 106 -5.769 -5.517 3.802 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.995 -4.687 4.942 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.359 -5.266 3.323 1.00 25.00 C ATOM 0 H THR A 106 -8.257 -5.590 4.164 1.00 25.00 H new ATOM 0 HA THR A 106 -6.597 -4.177 2.353 1.00 25.00 H new ATOM 0 HB THR A 106 -5.886 -6.570 4.056 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.691 -5.086 5.505 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.656 -5.507 4.120 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.153 -5.892 2.455 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.250 -4.217 3.048 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.220 -7.376 1.715 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.189 -8.377 0.642 1.00 25.00 C ATOM 1785 C GLU A 107 -7.855 -7.841 -0.626 1.00 25.00 C ATOM 1786 O GLU A 107 -7.307 -7.973 -1.715 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.881 -9.671 1.096 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.121 -10.359 2.211 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.773 -11.629 2.726 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.975 -11.615 3.056 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.026 -12.623 2.912 1.00 25.00 O ATOM 0 H GLU A 107 -7.702 -7.677 2.562 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.146 -8.596 0.415 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.892 -9.442 1.433 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.974 -10.349 0.248 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.118 -10.598 1.857 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.008 -9.661 3.041 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.998 -7.183 -0.484 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.700 -6.616 -1.639 1.00 25.00 C ATOM 1800 C GLU A 108 -8.872 -5.529 -2.324 1.00 25.00 C ATOM 1801 O GLU A 108 -8.816 -5.463 -3.544 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.042 -6.025 -1.198 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.140 -7.067 -1.018 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.638 -7.619 -2.350 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.206 -6.833 -3.143 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -12.478 -8.833 -2.602 1.00 25.00 O ATOM 0 H GLU A 108 -9.460 -7.027 0.412 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.864 -7.423 -2.353 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.903 -5.491 -0.258 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.366 -5.292 -1.936 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.763 -7.886 -0.406 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.975 -6.622 -0.477 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.212 -4.683 -1.545 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.390 -3.605 -2.109 1.00 25.00 C ATOM 1815 C ILE A 109 -6.169 -4.204 -2.811 1.00 25.00 C ATOM 1816 O ILE A 109 -5.802 -3.784 -3.909 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.946 -2.596 -0.997 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.188 -1.870 -0.436 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.941 -1.547 -1.553 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.973 -1.214 0.935 1.00 25.00 C ATOM 0 H ILE A 109 -8.225 -4.716 -0.526 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.987 -3.054 -2.836 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.450 -3.158 -0.206 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.498 -1.104 -1.147 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.008 -2.584 -0.359 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.653 -0.862 -0.756 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.055 -2.057 -1.931 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.410 -0.987 -2.362 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.895 -0.727 1.254 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.694 -1.976 1.663 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.177 -0.473 0.863 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.559 -5.209 -2.202 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.377 -5.844 -2.779 1.00 25.00 C ATOM 1834 C LEU A 110 -4.725 -6.551 -4.089 1.00 25.00 C ATOM 1835 O LEU A 110 -3.952 -6.497 -5.034 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.765 -6.829 -1.772 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.638 -6.275 -0.866 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.896 -4.866 -0.301 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.407 -7.244 0.299 1.00 25.00 C ATOM 0 H LEU A 110 -5.859 -5.604 -1.311 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.641 -5.072 -3.003 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.564 -7.205 -1.133 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.371 -7.682 -2.325 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.760 -6.187 -1.505 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.053 -4.563 0.320 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.013 -4.160 -1.123 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.805 -4.876 0.300 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.614 -6.859 0.941 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.326 -7.343 0.877 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.117 -8.219 -0.091 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.897 -7.172 -4.167 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.337 -7.819 -5.413 1.00 25.00 C ATOM 1853 C LYS A 111 -6.885 -6.827 -6.436 1.00 25.00 C ATOM 1854 O LYS A 111 -6.936 -7.132 -7.623 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.382 -8.909 -5.131 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.862 -10.087 -4.284 1.00 25.00 C ATOM 1857 CD LYS A 111 -5.619 -10.732 -4.896 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.214 -11.978 -4.133 1.00 25.00 C ATOM 1859 NZ LYS A 111 -3.862 -12.468 -4.587 1.00 25.00 N ATOM 0 H LYS A 111 -6.559 -7.245 -3.394 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.447 -8.276 -5.846 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.232 -8.457 -4.619 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.751 -9.296 -6.081 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.629 -9.735 -3.279 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -7.647 -10.836 -4.186 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -5.814 -10.988 -5.937 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -4.796 -10.017 -4.892 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.188 -11.763 -3.065 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.958 -12.760 -4.283 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -3.348 -12.868 -3.776 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -3.985 -13.201 -5.315 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -3.320 -11.674 -4.983 1.00 25.00 H new ATOM 1873 N SER A 112 -7.282 -5.646 -5.986 1.00 25.00 N ATOM 1874 CA SER A 112 -7.738 -4.595 -6.899 1.00 25.00 C ATOM 1875 C SER A 112 -6.548 -4.076 -7.697 1.00 25.00 C ATOM 1876 O SER A 112 -6.704 -3.569 -8.809 1.00 25.00 O ATOM 1877 CB SER A 112 -8.373 -3.437 -6.126 1.00 25.00 C ATOM 1878 OG SER A 112 -8.871 -2.449 -7.017 1.00 25.00 O ATOM 0 H SER A 112 -7.300 -5.387 -5.000 1.00 25.00 H new ATOM 0 HA SER A 112 -8.488 -5.016 -7.569 1.00 25.00 H new ATOM 0 HB2 SER A 112 -9.184 -3.812 -5.502 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.636 -2.992 -5.458 1.00 25.00 H new ATOM 0 HG SER A 112 -9.274 -1.718 -6.503 1.00 25.00 H new ATOM 1884 N ASN A 113 -5.359 -4.220 -7.130 1.00 25.00 N ATOM 1885 CA ASN A 113 -4.130 -3.872 -7.828 1.00 25.00 C ATOM 1886 C ASN A 113 -3.706 -5.072 -8.667 1.00 25.00 C ATOM 1887 O ASN A 113 -3.788 -6.211 -8.224 1.00 25.00 O ATOM 1888 CB ASN A 113 -3.027 -3.521 -6.827 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.066 -2.076 -6.419 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -2.943 -1.192 -7.254 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -3.221 -1.827 -5.152 1.00 25.00 N ATOM 0 H ASN A 113 -5.219 -4.577 -6.185 1.00 25.00 H new ATOM 0 HA ASN A 113 -4.299 -3.003 -8.464 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.129 -4.149 -5.942 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.055 -3.746 -7.267 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -3.244 -0.863 -4.821 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -3.320 -2.596 -4.489 1.00 25.00 H new ATOM 1898 N SER A 114 -3.253 -4.811 -9.882 1.00 25.00 N ATOM 1899 CA SER A 114 -2.837 -5.874 -10.790 1.00 25.00 C ATOM 1900 C SER A 114 -1.759 -5.334 -11.710 1.00 25.00 C ATOM 1901 O SER A 114 -1.647 -4.120 -11.900 1.00 25.00 O ATOM 1902 CB SER A 114 -4.034 -6.354 -11.625 1.00 25.00 C ATOM 1903 OG SER A 114 -3.659 -7.386 -12.528 1.00 25.00 O ATOM 0 H SER A 114 -3.163 -3.870 -10.266 1.00 25.00 H new ATOM 0 HA SER A 114 -2.452 -6.716 -10.215 1.00 25.00 H new ATOM 0 HB2 SER A 114 -4.819 -6.717 -10.962 1.00 25.00 H new ATOM 0 HB3 SER A 114 -4.450 -5.515 -12.182 1.00 25.00 H new ATOM 0 HG SER A 114 -3.670 -7.039 -13.444 1.00 25.00 H new ATOM 1909 N GLN A 115 -0.994 -6.230 -12.315 1.00 25.00 N ATOM 1910 CA GLN A 115 -0.019 -5.855 -13.330 1.00 25.00 C ATOM 1911 C GLN A 115 -0.797 -5.745 -14.641 1.00 25.00 C ATOM 1912 O GLN A 115 -0.769 -6.648 -15.476 1.00 25.00 O ATOM 1913 CB GLN A 115 1.098 -6.899 -13.424 1.00 25.00 C ATOM 1914 CG GLN A 115 1.964 -6.961 -12.166 1.00 25.00 C ATOM 1915 CD GLN A 115 3.091 -7.965 -12.286 1.00 25.00 C ATOM 1916 OE1 GLN A 115 2.865 -9.156 -12.394 1.00 25.00 O ATOM 1917 NE2 GLN A 115 4.308 -7.486 -12.252 1.00 25.00 N ATOM 0 H GLN A 115 -1.030 -7.230 -12.119 1.00 25.00 H new ATOM 0 HA GLN A 115 0.470 -4.911 -13.088 1.00 25.00 H new ATOM 0 HB2 GLN A 115 0.657 -7.880 -13.604 1.00 25.00 H new ATOM 0 HB3 GLN A 115 1.730 -6.671 -14.283 1.00 25.00 H new ATOM 0 HG2 GLN A 115 2.381 -5.974 -11.967 1.00 25.00 H new ATOM 0 HG3 GLN A 115 1.339 -7.221 -11.311 1.00 25.00 H new ATOM 0 HE21 GLN A 115 4.458 -6.481 -12.161 1.00 25.00 H new ATOM 0 HE22 GLN A 115 5.107 -8.117 -12.317 1.00 25.00 H new ATOM 1926 N THR A 116 -1.525 -4.639 -14.772 1.00 25.00 N ATOM 1927 CA THR A 116 -2.436 -4.372 -15.853 1.00 25.00 C ATOM 1928 C THR A 116 -3.523 -5.449 -16.026 1.00 25.00 C ATOM 1929 O THR A 116 -3.713 -6.298 -15.153 1.00 25.00 O ATOM 1930 CB THR A 116 -1.673 -4.081 -17.133 1.00 25.00 C ATOM 1931 OG1 THR A 116 -1.392 -5.292 -17.837 1.00 25.00 O ATOM 1932 CG2 THR A 116 -0.351 -3.342 -16.875 1.00 25.00 C ATOM 0 H THR A 116 -1.486 -3.879 -14.092 1.00 25.00 H new ATOM 0 HA THR A 116 -2.993 -3.473 -15.589 1.00 25.00 H new ATOM 0 HB THR A 116 -2.315 -3.435 -17.732 1.00 25.00 H new ATOM 0 HG1 THR A 116 -1.127 -5.987 -17.199 1.00 25.00 H new ATOM 0 HG21 THR A 116 0.154 -3.159 -17.823 1.00 25.00 H new ATOM 0 HG22 THR A 116 -0.556 -2.391 -16.383 1.00 25.00 H new ATOM 0 HG23 THR A 116 0.288 -3.951 -16.235 1.00 25.00 H new ATOM 1940 N ASP A 117 -4.288 -5.355 -17.106 1.00 25.00 N ATOM 1941 CA ASP A 117 -5.383 -6.283 -17.377 1.00 25.00 C ATOM 1942 C ASP A 117 -5.581 -6.325 -18.887 1.00 25.00 C ATOM 1943 O ASP A 117 -5.157 -5.411 -19.596 1.00 25.00 O ATOM 1944 CB ASP A 117 -6.684 -5.819 -16.703 1.00 25.00 C ATOM 1945 CG ASP A 117 -7.785 -6.870 -16.781 1.00 25.00 C ATOM 1946 OD1 ASP A 117 -7.454 -8.071 -16.907 1.00 25.00 O ATOM 1947 OD2 ASP A 117 -8.988 -6.509 -16.768 1.00 25.00 O ATOM 0 H ASP A 117 -4.169 -4.635 -17.819 1.00 25.00 H new ATOM 0 HA ASP A 117 -5.137 -7.268 -16.980 1.00 25.00 H new ATOM 0 HB2 ASP A 117 -6.484 -5.583 -15.658 1.00 25.00 H new ATOM 0 HB3 ASP A 117 -7.028 -4.900 -17.178 1.00 25.00 H new ATOM 1952 N LEU A 118 -6.237 -7.367 -19.372 1.00 25.00 N ATOM 1953 CA LEU A 118 -6.527 -7.515 -20.794 1.00 25.00 C ATOM 1954 C LEU A 118 -8.027 -7.388 -20.983 1.00 25.00 C ATOM 1955 O LEU A 118 -8.806 -7.883 -20.165 1.00 25.00 O ATOM 1956 CB LEU A 118 -6.066 -8.885 -21.298 1.00 25.00 C ATOM 1957 CG LEU A 118 -4.573 -9.216 -21.122 1.00 25.00 C ATOM 1958 CD1 LEU A 118 -4.322 -10.661 -21.555 1.00 25.00 C ATOM 1959 CD2 LEU A 118 -3.682 -8.271 -21.932 1.00 25.00 C ATOM 0 H LEU A 118 -6.584 -8.133 -18.795 1.00 25.00 H new ATOM 0 HA LEU A 118 -5.998 -6.747 -21.358 1.00 25.00 H new ATOM 0 HB2 LEU A 118 -6.648 -9.651 -20.785 1.00 25.00 H new ATOM 0 HB3 LEU A 118 -6.309 -8.958 -22.358 1.00 25.00 H new ATOM 0 HG LEU A 118 -4.319 -9.088 -20.070 1.00 25.00 H new ATOM 0 HD11 LEU A 118 -3.266 -10.899 -21.432 1.00 25.00 H new ATOM 0 HD12 LEU A 118 -4.920 -11.334 -20.940 1.00 25.00 H new ATOM 0 HD13 LEU A 118 -4.601 -10.781 -22.602 1.00 25.00 H new ATOM 0 HD21 LEU A 118 -2.636 -8.538 -21.781 1.00 25.00 H new ATOM 0 HD22 LEU A 118 -3.929 -8.356 -22.990 1.00 25.00 H new ATOM 0 HD23 LEU A 118 -3.846 -7.245 -21.603 1.00 25.00 H new ATOM 1971 N GLU A 119 -8.443 -6.758 -22.074 1.00 25.00 N ATOM 1972 CA GLU A 119 -9.869 -6.569 -22.346 1.00 25.00 C ATOM 1973 C GLU A 119 -10.541 -7.851 -22.863 1.00 25.00 C ATOM 1974 O GLU A 119 -10.902 -7.998 -24.032 1.00 25.00 O ATOM 1975 CB GLU A 119 -10.112 -5.373 -23.284 1.00 25.00 C ATOM 1976 CG GLU A 119 -10.695 -4.154 -22.552 1.00 25.00 C ATOM 1977 CD GLU A 119 -12.170 -4.344 -22.154 1.00 25.00 C ATOM 1978 OE1 GLU A 119 -12.483 -5.308 -21.408 1.00 25.00 O ATOM 1979 OE2 GLU A 119 -13.013 -3.521 -22.573 1.00 25.00 O ATOM 0 H GLU A 119 -7.821 -6.370 -22.783 1.00 25.00 H new ATOM 0 HA GLU A 119 -10.344 -6.336 -21.393 1.00 25.00 H new ATOM 0 HB2 GLU A 119 -9.172 -5.091 -23.758 1.00 25.00 H new ATOM 0 HB3 GLU A 119 -10.793 -5.673 -24.080 1.00 25.00 H new ATOM 0 HG2 GLU A 119 -10.105 -3.957 -21.657 1.00 25.00 H new ATOM 0 HG3 GLU A 119 -10.607 -3.276 -23.192 1.00 25.00 H new ATOM 1986 N HIS A 120 -10.685 -8.796 -21.951 1.00 25.00 N ATOM 1987 CA HIS A 120 -11.397 -10.056 -22.180 1.00 25.00 C ATOM 1988 C HIS A 120 -12.376 -10.172 -21.016 1.00 25.00 C ATOM 1989 O HIS A 120 -12.776 -11.262 -20.617 1.00 25.00 O ATOM 1990 CB HIS A 120 -10.426 -11.252 -22.203 1.00 25.00 C ATOM 1991 CG HIS A 120 -9.718 -11.441 -23.513 1.00 25.00 C ATOM 1992 ND1 HIS A 120 -9.682 -10.480 -24.529 1.00 25.00 N ATOM 1993 CD2 HIS A 120 -9.015 -12.493 -24.013 1.00 25.00 C ATOM 1994 CE1 HIS A 120 -8.988 -10.963 -25.553 1.00 25.00 C ATOM 1995 NE2 HIS A 120 -8.579 -12.170 -25.262 1.00 25.00 N ATOM 0 H HIS A 120 -10.305 -8.714 -21.008 1.00 25.00 H new ATOM 0 HA HIS A 120 -11.903 -10.064 -23.145 1.00 25.00 H new ATOM 0 HB2 HIS A 120 -9.683 -11.118 -21.417 1.00 25.00 H new ATOM 0 HB3 HIS A 120 -10.980 -12.161 -21.967 1.00 25.00 H new ATOM 0 HD1 HIS A 120 -10.118 -9.559 -24.490 1.00 25.00 H new ATOM 0 HD2 HIS A 120 -8.833 -13.428 -23.504 1.00 25.00 H new ATOM 0 HE1 HIS A 120 -8.793 -10.442 -26.479 1.00 25.00 H new ATOM 2003 N HIS A 121 -12.725 -9.027 -20.451 1.00 25.00 N ATOM 2004 CA HIS A 121 -13.602 -8.965 -19.287 1.00 25.00 C ATOM 2005 C HIS A 121 -14.788 -8.091 -19.650 1.00 25.00 C ATOM 2006 O HIS A 121 -14.757 -7.400 -20.652 1.00 25.00 O ATOM 2007 CB HIS A 121 -12.827 -8.400 -18.090 1.00 25.00 C ATOM 2008 CG HIS A 121 -11.717 -9.295 -17.627 1.00 25.00 C ATOM 2009 ND1 HIS A 121 -10.468 -8.831 -17.199 1.00 25.00 N ATOM 2010 CD2 HIS A 121 -11.633 -10.649 -17.513 1.00 25.00 C ATOM 2011 CE1 HIS A 121 -9.725 -9.870 -16.848 1.00 25.00 C ATOM 2012 NE2 HIS A 121 -10.403 -10.968 -17.029 1.00 25.00 N ATOM 0 H HIS A 121 -12.411 -8.115 -20.783 1.00 25.00 H new ATOM 0 HA HIS A 121 -13.959 -9.956 -19.005 1.00 25.00 H new ATOM 0 HB2 HIS A 121 -12.413 -7.429 -18.360 1.00 25.00 H new ATOM 0 HB3 HIS A 121 -13.519 -8.233 -17.264 1.00 25.00 H new ATOM 0 HD1 HIS A 121 -10.178 -7.854 -17.163 1.00 25.00 H new ATOM 0 HD2 HIS A 121 -12.413 -11.352 -17.765 1.00 25.00 H new ATOM 0 HE1 HIS A 121 -8.715 -9.816 -16.471 1.00 25.00 H new ATOM 2020 N HIS A 122 -15.856 -8.165 -18.870 1.00 25.00 N ATOM 2021 CA HIS A 122 -17.064 -7.384 -19.143 1.00 25.00 C ATOM 2022 C HIS A 122 -17.484 -6.696 -17.860 1.00 25.00 C ATOM 2023 O HIS A 122 -17.379 -7.277 -16.778 1.00 25.00 O ATOM 2024 CB HIS A 122 -18.201 -8.292 -19.642 1.00 25.00 C ATOM 2025 CG HIS A 122 -17.938 -8.919 -20.981 1.00 25.00 C ATOM 2026 ND1 HIS A 122 -18.548 -10.100 -21.414 1.00 25.00 N ATOM 2027 CD2 HIS A 122 -17.141 -8.545 -22.019 1.00 25.00 C ATOM 2028 CE1 HIS A 122 -18.109 -10.385 -22.637 1.00 25.00 C ATOM 2029 NE2 HIS A 122 -17.265 -9.462 -23.014 1.00 25.00 N ATOM 0 H HIS A 122 -15.916 -8.757 -18.041 1.00 25.00 H new ATOM 0 HA HIS A 122 -16.854 -6.649 -19.921 1.00 25.00 H new ATOM 0 HB2 HIS A 122 -18.370 -9.081 -18.909 1.00 25.00 H new ATOM 0 HB3 HIS A 122 -19.120 -7.708 -19.700 1.00 25.00 H new ATOM 0 HD2 HIS A 122 -16.514 -7.666 -22.047 1.00 25.00 H new ATOM 0 HE1 HIS A 122 -18.403 -11.242 -23.224 1.00 25.00 H new ATOM 0 HE2 HIS A 122 -16.778 -9.434 -23.910 1.00 25.00 H new ATOM 2037 N HIS A 123 -17.968 -5.469 -17.978 1.00 25.00 N ATOM 2038 CA HIS A 123 -18.457 -4.729 -16.818 1.00 25.00 C ATOM 2039 C HIS A 123 -19.698 -5.461 -16.306 1.00 25.00 C ATOM 2040 O HIS A 123 -20.502 -5.943 -17.100 1.00 25.00 O ATOM 2041 CB HIS A 123 -18.787 -3.282 -17.214 1.00 25.00 C ATOM 2042 CG HIS A 123 -17.612 -2.530 -17.769 1.00 25.00 C ATOM 2043 ND1 HIS A 123 -16.624 -1.937 -16.974 1.00 25.00 N ATOM 2044 CD2 HIS A 123 -17.230 -2.260 -19.049 1.00 25.00 C ATOM 2045 CE1 HIS A 123 -15.719 -1.370 -17.768 1.00 25.00 C ATOM 2046 NE2 HIS A 123 -16.065 -1.554 -19.014 1.00 25.00 N ATOM 0 H HIS A 123 -18.034 -4.963 -18.861 1.00 25.00 H new ATOM 0 HA HIS A 123 -17.701 -4.681 -16.034 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -19.586 -3.290 -17.955 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -19.167 -2.752 -16.341 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -17.761 -2.556 -19.941 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -14.838 -0.841 -17.435 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -15.547 -1.223 -19.828 1.00 25.00 H new ATOM 2054 N HIS A 124 -19.809 -5.599 -14.994 1.00 25.00 N ATOM 2055 CA HIS A 124 -20.926 -6.323 -14.380 1.00 25.00 C ATOM 2056 C HIS A 124 -22.214 -5.507 -14.471 1.00 25.00 C ATOM 2057 O HIS A 124 -22.190 -4.324 -14.815 1.00 25.00 O ATOM 2058 CB HIS A 124 -20.627 -6.596 -12.893 1.00 25.00 C ATOM 2059 CG HIS A 124 -19.668 -7.724 -12.658 1.00 25.00 C ATOM 2060 ND1 HIS A 124 -19.679 -8.503 -11.495 1.00 25.00 N ATOM 2061 CD2 HIS A 124 -18.662 -8.248 -13.413 1.00 25.00 C ATOM 2062 CE1 HIS A 124 -18.717 -9.413 -11.580 1.00 25.00 C ATOM 2063 NE2 HIS A 124 -18.096 -9.278 -12.722 1.00 25.00 N ATOM 0 H HIS A 124 -19.139 -5.219 -14.326 1.00 25.00 H new ATOM 0 HA HIS A 124 -21.051 -7.263 -14.917 1.00 25.00 H new ATOM 0 HB2 HIS A 124 -20.222 -5.690 -12.443 1.00 25.00 H new ATOM 0 HB3 HIS A 124 -21.563 -6.816 -12.380 1.00 25.00 H new ATOM 0 HD2 HIS A 124 -18.364 -7.905 -14.393 1.00 25.00 H new ATOM 0 HE1 HIS A 124 -18.484 -10.149 -10.825 1.00 25.00 H new ATOM 0 HE2 HIS A 124 -17.315 -9.850 -13.044 1.00 25.00 H new ATOM 2071 N HIS A 125 -23.302 -6.137 -14.062 1.00 25.00 N ATOM 2072 CA HIS A 125 -24.568 -5.481 -13.773 1.00 25.00 C ATOM 2073 C HIS A 125 -24.822 -6.048 -12.395 1.00 25.00 C ATOM 2074 O HIS A 125 -24.116 -7.048 -12.103 1.00 25.00 O ATOM 2075 CB HIS A 125 -25.694 -5.903 -14.719 1.00 25.00 C ATOM 2076 CG HIS A 125 -25.610 -5.286 -16.080 1.00 25.00 C ATOM 2077 ND1 HIS A 125 -26.466 -5.626 -17.131 1.00 25.00 N ATOM 2078 CD2 HIS A 125 -24.796 -4.327 -16.595 1.00 25.00 C ATOM 2079 CE1 HIS A 125 -26.150 -4.893 -18.193 1.00 25.00 C ATOM 2080 NE2 HIS A 125 -25.150 -4.108 -17.891 1.00 25.00 N ATOM 2081 OXT HIS A 125 -25.656 -5.532 -11.648 1.00 25.00 O ATOM 0 H HIS A 125 -23.331 -7.146 -13.918 1.00 25.00 H new ATOM 0 HA HIS A 125 -24.535 -4.396 -13.866 1.00 25.00 H new ATOM 0 HB2 HIS A 125 -25.680 -6.988 -14.822 1.00 25.00 H new ATOM 0 HB3 HIS A 125 -26.651 -5.637 -14.269 1.00 25.00 H new ATOM 0 HD2 HIS A 125 -24.001 -3.823 -16.065 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -26.642 -4.939 -19.154 1.00 25.00 H new ATOM 0 HE2 HIS A 125 -24.707 -3.441 -18.523 1.00 25.00 H new TER 2089 HIS A 125