USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=23 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 47 GLN : amide:sc= 0.852 K(o=1.9,f=-0.3!) USER MOD Set 1.2: A 116 THR OG1 : rot -172:sc= 1.03 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.43 K(o=2.2,f=-2.2) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -178:sc= 0.799 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 173:sc= 2.26 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 42 CYS SG : rot -31:sc= 0.00206 USER MOD Set 4.2: A 62 CYS SG : rot -134:sc= 0.605 USER MOD Set 5.1: A 17 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-2.3!) USER MOD Set 5.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 14 GLN : amide:sc= 0.185 X(o=0.094,f=-0.16) USER MOD Set 6.2: A 98 GLN : amide:sc= -0.0908 X(o=0.094,f=-0.16) USER MOD Single : A 3 GLN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : A 6 SER OG : rot 68:sc= 1.27 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0.612 K(o=0.61,f=-4.1!) USER MOD Single : A 11 TYR OH : rot 162:sc= 0.266 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 8:sc= 0.0143 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 0.0953 (180deg=-0.076) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= 0.245 (180deg=0.0691) USER MOD Single : A 41 THR OG1 : rot -86:sc= 0.801 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 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 68 ASN : amide:sc= -0.0387 K(o=-0.039,f=-0.76) USER MOD Single : A 69 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 78 THR OG1 : rot -99:sc= 0.0483 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 138:sc= 0.67 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 0.921 (180deg=0.577) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.163 K(o=0.16,f=-4.2!) USER MOD Single : A 106 THR OG1 : rot 69:sc= 0.537 USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= 0.876 (180deg=0.394) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.785 K(o=0.78,f=-0.025) USER MOD Single : A 114 SER OG : rot -90:sc=-0.00875 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.2) USER MOD Single : A 122 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-2) USER MOD Single : A 123 HIS : no HD1:sc= -0.422 K(o=-0.42,f=0.095) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.735 K(o=-0.73,f=-3!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 -0.069 0.586 0.941 1.00 25.00 C HETATM 2 O1 MYR A 1 -1.198 1.026 0.985 1.00 25.00 O HETATM 3 C2 MYR A 1 0.456 -0.204 -0.244 1.00 25.00 C HETATM 4 C3 MYR A 1 0.352 -1.745 -0.045 1.00 25.00 C HETATM 5 C4 MYR A 1 1.448 -2.292 0.920 1.00 25.00 C HETATM 6 C5 MYR A 1 1.505 -3.855 0.966 1.00 25.00 C HETATM 7 C6 MYR A 1 0.413 -4.503 1.879 1.00 25.00 C HETATM 8 C7 MYR A 1 0.745 -4.377 3.393 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.348 -5.012 4.289 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.015 -4.820 5.800 1.00 25.00 C HETATM 11 C10 MYR A 1 -0.915 -5.649 6.773 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.426 -5.279 6.695 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.196 -5.670 7.982 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.715 -5.372 7.836 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.447 -5.492 9.186 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.330 -6.504 9.574 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.023 -4.780 9.894 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.506 -5.277 9.046 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.853 -4.368 7.434 1.00 25.00 H new HETATM 0 H131 MYR A 1 -5.155 -6.065 7.119 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.048 -6.730 8.190 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.794 -5.119 8.832 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.527 -4.207 6.526 1.00 25.00 H new HETATM 0 H111 MYR A 1 -2.877 -5.780 5.839 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.797 -6.709 6.548 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.565 -5.499 7.794 1.00 25.00 H new HETATM 0 H92 MYR A 1 1.027 -5.094 5.967 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.111 -3.763 6.049 1.00 25.00 H new HETATM 0 H82 MYR A 1 -1.314 -4.559 4.066 1.00 25.00 H new HETATM 0 H81 MYR A 1 -0.435 -6.075 4.065 1.00 25.00 H new HETATM 0 H72 MYR A 1 1.702 -4.859 3.594 1.00 25.00 H new HETATM 0 H71 MYR A 1 0.857 -3.324 3.652 1.00 25.00 H new HETATM 0 H62 MYR A 1 -0.548 -4.029 1.681 1.00 25.00 H new HETATM 0 H61 MYR A 1 0.308 -5.557 1.621 1.00 25.00 H new HETATM 0 H52 MYR A 1 1.394 -4.243 -0.047 1.00 25.00 H new HETATM 0 H51 MYR A 1 2.489 -4.163 1.319 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.420 -1.908 0.610 1.00 25.00 H new HETATM 0 H41 MYR A 1 1.261 -1.912 1.924 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.633 -1.992 0.350 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.442 -2.241 -1.012 1.00 25.00 H new HETATM 0 H22 MYR A 1 -0.101 0.079 -1.137 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.498 0.064 -0.419 1.00 25.00 H new ATOM 43 N GLY A 2 0.814 0.819 1.932 1.00 25.00 N ATOM 44 CA GLY A 2 0.504 1.571 3.138 1.00 25.00 C ATOM 45 C GLY A 2 0.112 2.995 2.823 1.00 25.00 C ATOM 46 O GLY A 2 -0.799 3.539 3.438 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.308 1.080 3.674 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.370 1.570 3.800 1.00 25.00 H new ATOM 50 N GLN A 3 0.773 3.599 1.845 1.00 25.00 N ATOM 51 CA GLN A 3 0.482 4.986 1.492 1.00 25.00 C ATOM 52 C GLN A 3 -0.921 5.119 0.913 1.00 25.00 C ATOM 53 O GLN A 3 -1.657 6.040 1.263 1.00 25.00 O ATOM 54 CB GLN A 3 1.507 5.518 0.488 1.00 25.00 C ATOM 55 CG GLN A 3 2.915 5.638 1.059 1.00 25.00 C ATOM 56 CD GLN A 3 3.881 6.268 0.077 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.726 7.417 -0.302 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.879 5.530 -0.327 1.00 25.00 N ATOM 0 H GLN A 3 1.505 3.160 1.287 1.00 25.00 H new ATOM 0 HA GLN A 3 0.542 5.578 2.405 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.531 4.858 -0.379 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.183 6.497 0.134 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.886 6.235 1.970 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.277 4.649 1.338 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.976 4.573 0.012 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.562 5.910 -0.982 1.00 25.00 H new ATOM 67 N GLU A 4 -1.310 4.195 0.044 1.00 25.00 N ATOM 68 CA GLU A 4 -2.633 4.271 -0.566 1.00 25.00 C ATOM 69 C GLU A 4 -3.709 3.823 0.416 1.00 25.00 C ATOM 70 O GLU A 4 -4.844 4.246 0.311 1.00 25.00 O ATOM 71 CB GLU A 4 -2.705 3.465 -1.869 1.00 25.00 C ATOM 72 CG GLU A 4 -2.646 1.960 -1.709 1.00 25.00 C ATOM 73 CD GLU A 4 -2.900 1.242 -3.014 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.084 1.143 -3.415 1.00 25.00 O ATOM 75 OE2 GLU A 4 -1.933 0.770 -3.635 1.00 25.00 O ATOM 0 H GLU A 4 -0.743 3.400 -0.250 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.817 5.315 -0.821 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.631 3.722 -2.384 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.884 3.777 -2.514 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.668 1.675 -1.323 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.384 1.644 -0.972 1.00 25.00 H new ATOM 82 N LEU A 5 -3.362 3.011 1.404 1.00 25.00 N ATOM 83 CA LEU A 5 -4.313 2.599 2.423 1.00 25.00 C ATOM 84 C LEU A 5 -4.817 3.796 3.217 1.00 25.00 C ATOM 85 O LEU A 5 -6.006 3.888 3.494 1.00 25.00 O ATOM 86 CB LEU A 5 -3.657 1.573 3.337 1.00 25.00 C ATOM 87 CG LEU A 5 -4.208 0.155 3.169 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.168 -0.378 1.774 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.466 -0.798 4.099 1.00 25.00 C ATOM 0 H LEU A 5 -2.426 2.624 1.521 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.178 2.145 1.940 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.584 1.561 3.144 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -3.791 1.885 4.373 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.265 0.222 3.428 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.579 -1.387 1.758 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -4.759 0.265 1.122 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.136 -0.401 1.423 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -3.861 -1.807 3.977 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.404 -0.792 3.854 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.602 -0.478 5.132 1.00 25.00 H new ATOM 101 N SER A 6 -3.947 4.759 3.492 1.00 25.00 N ATOM 102 CA SER A 6 -4.364 6.024 4.104 1.00 25.00 C ATOM 103 C SER A 6 -5.253 6.889 3.195 1.00 25.00 C ATOM 104 O SER A 6 -5.813 7.882 3.646 1.00 25.00 O ATOM 105 CB SER A 6 -3.132 6.841 4.492 1.00 25.00 C ATOM 106 OG SER A 6 -1.949 6.222 4.019 1.00 25.00 O ATOM 0 H SER A 6 -2.947 4.693 3.303 1.00 25.00 H new ATOM 0 HA SER A 6 -4.957 5.753 4.977 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.212 7.847 4.079 1.00 25.00 H new ATOM 0 HB3 SER A 6 -3.085 6.945 5.576 1.00 25.00 H new ATOM 0 HG SER A 6 -1.924 6.269 3.040 1.00 25.00 H new ATOM 112 N GLN A 7 -5.367 6.518 1.926 1.00 25.00 N ATOM 113 CA GLN A 7 -6.183 7.250 0.951 1.00 25.00 C ATOM 114 C GLN A 7 -7.456 6.450 0.627 1.00 25.00 C ATOM 115 O GLN A 7 -8.432 6.981 0.102 1.00 25.00 O ATOM 116 CB GLN A 7 -5.352 7.483 -0.317 1.00 25.00 C ATOM 117 CG GLN A 7 -5.931 8.502 -1.288 1.00 25.00 C ATOM 118 CD GLN A 7 -5.037 8.696 -2.491 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.262 9.633 -2.555 1.00 25.00 O ATOM 120 NE2 GLN A 7 -5.126 7.798 -3.437 1.00 25.00 N ATOM 0 H GLN A 7 -4.897 5.700 1.538 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.483 8.213 1.365 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.354 7.809 -0.024 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.237 6.532 -0.838 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.917 8.173 -1.616 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -6.067 9.455 -0.777 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -5.788 7.027 -3.348 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -4.534 7.869 -4.264 1.00 25.00 H new ATOM 129 N HIS A 8 -7.457 5.172 0.981 1.00 25.00 N ATOM 130 CA HIS A 8 -8.638 4.323 0.825 1.00 25.00 C ATOM 131 C HIS A 8 -9.510 4.608 2.033 1.00 25.00 C ATOM 132 O HIS A 8 -9.399 3.932 3.043 1.00 25.00 O ATOM 133 CB HIS A 8 -8.258 2.833 0.802 1.00 25.00 C ATOM 134 CG HIS A 8 -7.715 2.360 -0.513 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.515 2.060 -1.621 1.00 25.00 N ATOM 136 CD2 HIS A 8 -6.449 2.097 -0.929 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.733 1.655 -2.616 1.00 25.00 C ATOM 138 NE2 HIS A 8 -6.492 1.675 -2.219 1.00 25.00 N ATOM 0 H HIS A 8 -6.649 4.695 1.381 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.146 4.535 -0.116 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.515 2.646 1.578 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.138 2.241 1.054 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -5.555 2.206 -0.332 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -8.072 1.357 -3.597 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -5.684 1.416 -2.785 1.00 25.00 H new ATOM 146 N GLU A 9 -10.343 5.632 1.947 1.00 25.00 N ATOM 147 CA GLU A 9 -11.115 6.101 3.100 1.00 25.00 C ATOM 148 C GLU A 9 -11.926 5.022 3.815 1.00 25.00 C ATOM 149 O GLU A 9 -11.990 5.027 5.029 1.00 25.00 O ATOM 150 CB GLU A 9 -12.024 7.256 2.698 1.00 25.00 C ATOM 151 CG GLU A 9 -11.241 8.498 2.311 1.00 25.00 C ATOM 152 CD GLU A 9 -12.134 9.712 2.156 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.994 9.709 1.252 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.979 10.666 2.950 1.00 25.00 O ATOM 0 H GLU A 9 -10.506 6.160 1.090 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.370 6.434 3.823 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.650 6.948 1.860 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.693 7.494 3.525 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.485 8.700 3.070 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.713 8.316 1.375 1.00 25.00 H new ATOM 161 N ARG A 10 -12.464 4.050 3.091 1.00 25.00 N ATOM 162 CA ARG A 10 -13.185 2.946 3.743 1.00 25.00 C ATOM 163 C ARG A 10 -12.280 2.147 4.687 1.00 25.00 C ATOM 164 O ARG A 10 -12.707 1.730 5.763 1.00 25.00 O ATOM 165 CB ARG A 10 -13.784 2.001 2.704 1.00 25.00 C ATOM 166 CG ARG A 10 -14.917 2.597 1.894 1.00 25.00 C ATOM 167 CD ARG A 10 -15.482 1.536 0.959 1.00 25.00 C ATOM 168 NE ARG A 10 -16.584 2.056 0.133 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.227 1.365 -0.802 1.00 25.00 C ATOM 170 NH1 ARG A 10 -16.922 0.121 -1.089 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.197 1.937 -1.459 1.00 25.00 N ATOM 0 H ARG A 10 -12.422 3.995 2.073 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.983 3.398 4.332 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.995 1.683 2.023 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.147 1.107 3.211 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.699 2.966 2.558 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.558 3.451 1.319 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.688 1.164 0.311 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.838 0.689 1.545 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.876 3.020 0.291 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.168 -0.348 -0.587 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -17.439 -0.377 -1.814 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.453 2.902 -1.252 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -18.700 1.419 -2.180 1.00 25.00 H new ATOM 185 N TYR A 11 -11.023 1.949 4.315 1.00 25.00 N ATOM 186 CA TYR A 11 -10.098 1.240 5.173 1.00 25.00 C ATOM 187 C TYR A 11 -9.666 2.158 6.317 1.00 25.00 C ATOM 188 O TYR A 11 -9.525 1.725 7.464 1.00 25.00 O ATOM 189 CB TYR A 11 -8.894 0.791 4.360 1.00 25.00 C ATOM 190 CG TYR A 11 -7.865 0.122 5.209 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.065 -1.185 5.692 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.685 0.796 5.557 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.094 -1.798 6.520 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.714 0.177 6.362 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.931 -1.114 6.842 1.00 25.00 C ATOM 196 OH TYR A 11 -4.987 -1.704 7.636 1.00 25.00 O ATOM 0 H TYR A 11 -10.627 2.268 3.431 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.581 0.358 5.594 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.220 0.106 3.578 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.450 1.654 3.863 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.964 -1.723 5.430 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.521 1.803 5.202 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.258 -2.796 6.900 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.802 0.700 6.608 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.134 -1.233 7.534 1.00 25.00 H new ATOM 206 N VAL A 12 -9.513 3.441 6.010 1.00 25.00 N ATOM 207 CA VAL A 12 -9.178 4.443 7.021 1.00 25.00 C ATOM 208 C VAL A 12 -10.254 4.458 8.097 1.00 25.00 C ATOM 209 O VAL A 12 -9.931 4.540 9.266 1.00 25.00 O ATOM 210 CB VAL A 12 -9.041 5.875 6.403 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.819 6.948 7.489 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.880 5.916 5.426 1.00 25.00 C ATOM 0 H VAL A 12 -9.616 3.815 5.067 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.214 4.171 7.451 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.975 6.093 5.885 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.729 7.928 7.020 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.665 6.951 8.176 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.906 6.724 8.040 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.795 6.917 5.003 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.957 5.663 5.947 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.053 5.197 4.625 1.00 25.00 H new ATOM 222 N GLU A 13 -11.521 4.346 7.720 1.00 25.00 N ATOM 223 CA GLU A 13 -12.622 4.341 8.688 1.00 25.00 C ATOM 224 C GLU A 13 -12.492 3.208 9.696 1.00 25.00 C ATOM 225 O GLU A 13 -12.589 3.440 10.905 1.00 25.00 O ATOM 226 CB GLU A 13 -13.967 4.254 7.966 1.00 25.00 C ATOM 227 CG GLU A 13 -14.378 5.573 7.332 1.00 25.00 C ATOM 228 CD GLU A 13 -15.651 5.454 6.513 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.649 4.736 5.489 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.647 6.101 6.891 1.00 25.00 O ATOM 0 H GLU A 13 -11.817 4.257 6.748 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.571 5.279 9.241 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.912 3.486 7.194 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.735 3.940 8.673 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.521 6.319 8.114 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.571 5.932 6.693 1.00 25.00 H new ATOM 237 N GLN A 14 -12.188 2.007 9.229 1.00 25.00 N ATOM 238 CA GLN A 14 -11.966 0.892 10.147 1.00 25.00 C ATOM 239 C GLN A 14 -10.755 1.187 11.026 1.00 25.00 C ATOM 240 O GLN A 14 -10.765 0.927 12.233 1.00 25.00 O ATOM 241 CB GLN A 14 -11.742 -0.417 9.384 1.00 25.00 C ATOM 242 CG GLN A 14 -12.945 -0.868 8.561 1.00 25.00 C ATOM 243 CD GLN A 14 -14.217 -0.939 9.384 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.182 -0.262 9.092 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.213 -1.737 10.418 1.00 25.00 N ATOM 0 H GLN A 14 -12.090 1.778 8.240 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.855 0.777 10.767 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.885 -0.297 8.721 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.487 -1.202 10.096 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.092 -0.178 7.730 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.740 -1.848 8.130 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.383 -2.290 10.632 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.040 -1.807 11.012 1.00 25.00 H new ATOM 254 N LEU A 15 -9.719 1.771 10.441 1.00 25.00 N ATOM 255 CA LEU A 15 -8.527 2.119 11.205 1.00 25.00 C ATOM 256 C LEU A 15 -8.749 3.252 12.205 1.00 25.00 C ATOM 257 O LEU A 15 -8.015 3.330 13.184 1.00 25.00 O ATOM 258 CB LEU A 15 -7.366 2.507 10.289 1.00 25.00 C ATOM 259 CG LEU A 15 -6.547 1.413 9.592 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.284 2.085 9.044 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.146 0.261 10.523 1.00 25.00 C ATOM 0 H LEU A 15 -9.678 2.012 9.451 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.284 1.215 11.764 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.768 3.157 9.512 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.673 3.106 10.879 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.161 0.967 8.810 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.667 1.343 8.537 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.565 2.866 8.338 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.720 2.525 9.866 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.570 -0.475 9.963 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.541 0.649 11.342 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.043 -0.210 10.926 1.00 25.00 H new ATOM 273 N LYS A 16 -9.747 4.113 11.999 1.00 25.00 N ATOM 274 CA LYS A 16 -10.028 5.200 12.957 1.00 25.00 C ATOM 275 C LYS A 16 -10.296 4.537 14.292 1.00 25.00 C ATOM 276 O LYS A 16 -9.836 4.991 15.335 1.00 25.00 O ATOM 277 CB LYS A 16 -11.266 6.039 12.567 1.00 25.00 C ATOM 278 CG LYS A 16 -11.136 6.889 11.291 1.00 25.00 C ATOM 279 CD LYS A 16 -12.458 7.614 10.988 1.00 25.00 C ATOM 280 CE LYS A 16 -12.549 8.113 9.526 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.567 9.188 9.168 1.00 25.00 N ATOM 0 H LYS A 16 -10.370 4.086 11.192 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.178 5.882 12.979 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -12.113 5.364 12.444 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.506 6.703 13.398 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.335 7.618 11.413 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.863 6.252 10.449 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -13.291 6.940 11.189 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.564 8.463 11.664 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -12.399 7.265 8.857 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -13.557 8.486 9.346 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.699 9.461 8.173 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -11.721 10.016 9.778 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -10.599 8.833 9.304 1.00 25.00 H new ATOM 295 N GLN A 17 -11.020 3.431 14.241 1.00 25.00 N ATOM 296 CA GLN A 17 -11.334 2.672 15.438 1.00 25.00 C ATOM 297 C GLN A 17 -10.200 1.714 15.812 1.00 25.00 C ATOM 298 O GLN A 17 -9.908 1.541 16.981 1.00 25.00 O ATOM 299 CB GLN A 17 -12.634 1.888 15.230 1.00 25.00 C ATOM 300 CG GLN A 17 -13.864 2.760 14.919 1.00 25.00 C ATOM 301 CD GLN A 17 -14.494 3.392 16.156 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.813 3.896 17.051 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.800 3.375 16.205 1.00 25.00 N ATOM 0 H GLN A 17 -11.402 3.039 13.380 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.459 3.377 16.260 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.490 1.181 14.413 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.837 1.302 16.126 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.573 3.550 14.226 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.612 2.151 14.412 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.333 2.949 15.447 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.286 3.787 17.001 1.00 25.00 H new ATOM 312 N ALA A 18 -9.562 1.074 14.845 1.00 25.00 N ATOM 313 CA ALA A 18 -8.522 0.092 15.166 1.00 25.00 C ATOM 314 C ALA A 18 -7.251 0.713 15.793 1.00 25.00 C ATOM 315 O ALA A 18 -6.702 0.151 16.740 1.00 25.00 O ATOM 316 CB ALA A 18 -8.166 -0.729 13.924 1.00 25.00 C ATOM 0 H ALA A 18 -9.736 1.208 13.849 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.943 -0.562 15.930 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.393 -1.454 14.177 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.053 -1.253 13.568 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.799 -0.065 13.142 1.00 25.00 H new ATOM 322 N LEU A 19 -6.806 1.872 15.308 1.00 25.00 N ATOM 323 CA LEU A 19 -5.643 2.554 15.911 1.00 25.00 C ATOM 324 C LEU A 19 -6.024 2.956 17.341 1.00 25.00 C ATOM 325 O LEU A 19 -5.242 2.820 18.281 1.00 25.00 O ATOM 326 CB LEU A 19 -5.238 3.824 15.120 1.00 25.00 C ATOM 327 CG LEU A 19 -4.009 3.739 14.184 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.308 3.111 12.820 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.412 5.131 13.933 1.00 25.00 C ATOM 0 H LEU A 19 -7.220 2.358 14.513 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.792 1.873 15.896 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.094 4.129 14.519 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.054 4.621 15.841 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.306 3.093 14.710 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.397 3.087 12.223 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.676 2.095 12.960 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.064 3.703 12.305 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.550 5.043 13.272 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.162 5.770 13.468 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.100 5.569 14.881 1.00 25.00 H new ATOM 341 N LYS A 20 -7.255 3.429 17.489 1.00 25.00 N ATOM 342 CA LYS A 20 -7.787 3.881 18.778 1.00 25.00 C ATOM 343 C LYS A 20 -7.922 2.752 19.797 1.00 25.00 C ATOM 344 O LYS A 20 -7.534 2.913 20.946 1.00 25.00 O ATOM 345 CB LYS A 20 -9.156 4.521 18.516 1.00 25.00 C ATOM 346 CG LYS A 20 -9.917 5.029 19.726 1.00 25.00 C ATOM 347 CD LYS A 20 -11.308 5.455 19.266 1.00 25.00 C ATOM 348 CE LYS A 20 -12.181 5.928 20.416 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.574 6.205 19.910 1.00 25.00 N ATOM 0 H LYS A 20 -7.918 3.512 16.719 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.087 4.595 19.212 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.015 5.355 17.829 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.781 3.789 18.005 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.989 4.250 20.485 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.392 5.869 20.180 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.215 6.255 18.532 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.794 4.618 18.766 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.211 5.170 21.199 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.758 6.829 20.861 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -14.171 6.529 20.697 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.537 6.942 19.178 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -13.976 5.335 19.506 1.00 25.00 H new ATOM 363 N THR A 21 -8.453 1.612 19.382 1.00 25.00 N ATOM 364 CA THR A 21 -8.640 0.470 20.289 1.00 25.00 C ATOM 365 C THR A 21 -7.308 -0.140 20.693 1.00 25.00 C ATOM 366 O THR A 21 -7.215 -0.813 21.709 1.00 25.00 O ATOM 367 CB THR A 21 -9.487 -0.652 19.642 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.971 -0.948 18.345 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.937 -0.239 19.481 1.00 25.00 C ATOM 0 H THR A 21 -8.765 1.445 18.425 1.00 25.00 H new ATOM 0 HA THR A 21 -9.158 0.867 21.162 1.00 25.00 H new ATOM 0 HB THR A 21 -9.435 -1.521 20.298 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.132 -0.461 18.208 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.499 -1.053 19.023 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.361 -0.010 20.459 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.995 0.644 18.845 1.00 25.00 H new ATOM 377 N ARG A 22 -6.266 0.120 19.912 1.00 25.00 N ATOM 378 CA ARG A 22 -4.929 -0.364 20.251 1.00 25.00 C ATOM 379 C ARG A 22 -4.369 0.419 21.434 1.00 25.00 C ATOM 380 O ARG A 22 -3.471 -0.045 22.120 1.00 25.00 O ATOM 381 CB ARG A 22 -3.996 -0.216 19.047 1.00 25.00 C ATOM 382 CG ARG A 22 -3.070 -1.409 18.829 1.00 25.00 C ATOM 383 CD ARG A 22 -3.682 -2.450 17.886 1.00 25.00 C ATOM 384 NE ARG A 22 -4.269 -3.595 18.603 1.00 25.00 N ATOM 385 CZ ARG A 22 -5.555 -3.772 18.883 1.00 25.00 C ATOM 386 NH1 ARG A 22 -6.485 -2.909 18.550 1.00 25.00 N ATOM 387 NH2 ARG A 22 -5.903 -4.858 19.504 1.00 25.00 N ATOM 0 H ARG A 22 -6.317 0.658 19.047 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.999 -1.417 20.523 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.598 -0.068 18.150 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.391 0.681 19.177 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.122 -1.061 18.418 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.849 -1.876 19.789 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.452 -1.975 17.278 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.913 -2.811 17.202 1.00 25.00 H new ATOM 0 HE ARG A 22 -3.625 -4.322 18.915 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -6.234 -2.055 18.052 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -7.460 -3.092 18.789 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -5.196 -5.546 19.763 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -6.883 -5.023 19.733 1.00 25.00 H new ATOM 401 N GLY A 23 -4.879 1.627 21.635 1.00 25.00 N ATOM 402 CA GLY A 23 -4.412 2.484 22.716 1.00 25.00 C ATOM 403 C GLY A 23 -3.044 3.073 22.435 1.00 25.00 C ATOM 404 O GLY A 23 -2.408 3.657 23.314 1.00 25.00 O ATOM 0 H GLY A 23 -5.617 2.036 21.062 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.128 3.291 22.871 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.374 1.909 23.641 1.00 25.00 H new ATOM 408 N VAL A 24 -2.573 2.908 21.208 1.00 25.00 N ATOM 409 CA VAL A 24 -1.234 3.353 20.838 1.00 25.00 C ATOM 410 C VAL A 24 -1.332 4.762 20.282 1.00 25.00 C ATOM 411 O VAL A 24 -2.063 5.021 19.326 1.00 25.00 O ATOM 412 CB VAL A 24 -0.579 2.397 19.796 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.838 2.874 19.433 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.499 0.967 20.362 1.00 25.00 C ATOM 0 H VAL A 24 -3.097 2.470 20.450 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.597 3.342 21.723 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.198 2.403 18.899 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.276 2.192 18.704 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.787 3.876 19.007 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.457 2.893 20.330 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.040 0.309 19.624 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.102 0.969 21.271 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.503 0.610 20.591 1.00 25.00 H new ATOM 424 N LYS A 25 -0.604 5.681 20.897 1.00 25.00 N ATOM 425 CA LYS A 25 -0.596 7.074 20.456 1.00 25.00 C ATOM 426 C LYS A 25 0.357 7.205 19.274 1.00 25.00 C ATOM 427 O LYS A 25 1.518 7.553 19.440 1.00 25.00 O ATOM 428 CB LYS A 25 -0.148 7.985 21.607 1.00 25.00 C ATOM 429 CG LYS A 25 -1.074 7.928 22.821 1.00 25.00 C ATOM 430 CD LYS A 25 -0.572 8.834 23.938 1.00 25.00 C ATOM 431 CE LYS A 25 -1.455 8.704 25.176 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.965 9.578 26.301 1.00 25.00 N ATOM 0 H LYS A 25 -0.010 5.491 21.704 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.599 7.375 20.152 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.859 7.702 21.914 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.095 9.013 21.248 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.080 8.229 22.529 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.141 6.902 23.183 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.456 8.574 24.190 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.565 9.869 23.598 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -2.480 8.976 24.923 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.473 7.664 25.503 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -1.588 9.464 27.126 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.004 9.302 26.559 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -0.972 10.572 25.996 1.00 25.00 H new ATOM 446 N VAL A 26 -0.147 6.916 18.086 1.00 25.00 N ATOM 447 CA VAL A 26 0.653 6.961 16.865 1.00 25.00 C ATOM 448 C VAL A 26 -0.155 7.689 15.792 1.00 25.00 C ATOM 449 O VAL A 26 -1.380 7.575 15.724 1.00 25.00 O ATOM 450 CB VAL A 26 1.074 5.508 16.420 1.00 25.00 C ATOM 451 CG1 VAL A 26 -0.149 4.636 16.113 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.022 5.539 15.216 1.00 25.00 C ATOM 0 H VAL A 26 -1.119 6.644 17.937 1.00 25.00 H new ATOM 0 HA VAL A 26 1.581 7.506 17.035 1.00 25.00 H new ATOM 0 HB VAL A 26 1.607 5.063 17.260 1.00 25.00 H new ATOM 0 HG11 VAL A 26 0.180 3.642 15.810 1.00 25.00 H new ATOM 0 HG12 VAL A 26 -0.772 4.556 17.004 1.00 25.00 H new ATOM 0 HG13 VAL A 26 -0.726 5.089 15.307 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.290 4.520 14.938 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.527 6.026 14.376 1.00 25.00 H new ATOM 0 HG23 VAL A 26 2.924 6.093 15.477 1.00 25.00 H new ATOM 462 N LYS A 27 0.527 8.494 14.992 1.00 25.00 N ATOM 463 CA LYS A 27 -0.119 9.261 13.928 1.00 25.00 C ATOM 464 C LYS A 27 -0.441 8.292 12.794 1.00 25.00 C ATOM 465 O LYS A 27 0.330 7.393 12.528 1.00 25.00 O ATOM 466 CB LYS A 27 0.838 10.371 13.470 1.00 25.00 C ATOM 467 CG LYS A 27 0.283 11.319 12.404 1.00 25.00 C ATOM 468 CD LYS A 27 1.192 12.550 12.210 1.00 25.00 C ATOM 469 CE LYS A 27 2.555 12.196 11.588 1.00 25.00 C ATOM 470 NZ LYS A 27 3.430 13.421 11.452 1.00 25.00 N ATOM 0 H LYS A 27 1.535 8.636 15.057 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.041 9.733 14.267 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.127 10.960 14.340 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.746 9.908 13.083 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.184 10.786 11.458 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.716 11.646 12.692 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.684 13.273 11.572 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.353 13.032 13.174 1.00 25.00 H new ATOM 0 HE2 LYS A 27 3.058 11.454 12.207 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.404 11.744 10.608 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.342 13.151 11.030 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 2.959 14.118 10.841 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.593 13.837 12.391 1.00 25.00 H new ATOM 484 N PHE A 28 -1.549 8.493 12.100 1.00 25.00 N ATOM 485 CA PHE A 28 -1.926 7.618 10.982 1.00 25.00 C ATOM 486 C PHE A 28 -0.835 7.519 9.928 1.00 25.00 C ATOM 487 O PHE A 28 -0.414 6.431 9.578 1.00 25.00 O ATOM 488 CB PHE A 28 -3.179 8.186 10.301 1.00 25.00 C ATOM 489 CG PHE A 28 -4.420 7.385 10.528 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.185 7.557 11.697 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.861 6.475 9.551 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.382 6.827 11.888 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.050 5.746 9.730 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.815 5.928 10.897 1.00 25.00 C ATOM 0 H PHE A 28 -2.207 9.250 12.284 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.100 6.625 11.396 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.345 9.201 10.661 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.996 8.254 9.229 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.855 8.252 12.455 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.279 6.334 8.652 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.960 6.960 12.790 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.376 5.048 8.973 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.734 5.377 11.032 1.00 25.00 H new ATOM 504 N ALA A 29 -0.352 8.660 9.452 1.00 25.00 N ATOM 505 CA ALA A 29 0.691 8.684 8.427 1.00 25.00 C ATOM 506 C ALA A 29 1.988 8.044 8.937 1.00 25.00 C ATOM 507 O ALA A 29 2.839 7.630 8.160 1.00 25.00 O ATOM 508 CB ALA A 29 0.947 10.131 7.986 1.00 25.00 C ATOM 0 H ALA A 29 -0.664 9.582 9.757 1.00 25.00 H new ATOM 0 HA ALA A 29 0.348 8.101 7.573 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.725 10.146 7.222 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.029 10.555 7.578 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.269 10.721 8.844 1.00 25.00 H new ATOM 514 N ASP A 30 2.133 7.964 10.249 1.00 25.00 N ATOM 515 CA ASP A 30 3.297 7.328 10.837 1.00 25.00 C ATOM 516 C ASP A 30 3.105 5.818 10.938 1.00 25.00 C ATOM 517 O ASP A 30 4.047 5.073 10.750 1.00 25.00 O ATOM 518 CB ASP A 30 3.583 7.904 12.214 1.00 25.00 C ATOM 519 CG ASP A 30 4.915 7.467 12.745 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.929 7.677 12.041 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.960 6.943 13.867 1.00 25.00 O ATOM 0 H ASP A 30 1.462 8.330 10.924 1.00 25.00 H new ATOM 0 HA ASP A 30 4.148 7.526 10.185 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.553 8.992 12.164 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.799 7.595 12.905 1.00 25.00 H new ATOM 526 N LEU A 31 1.885 5.358 11.193 1.00 25.00 N ATOM 527 CA LEU A 31 1.638 3.917 11.259 1.00 25.00 C ATOM 528 C LEU A 31 1.652 3.311 9.864 1.00 25.00 C ATOM 529 O LEU A 31 2.372 2.353 9.592 1.00 25.00 O ATOM 530 CB LEU A 31 0.313 3.579 11.943 1.00 25.00 C ATOM 531 CG LEU A 31 0.474 2.397 12.934 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.855 2.033 13.536 1.00 25.00 C ATOM 533 CD2 LEU A 31 1.073 1.146 12.301 1.00 25.00 C ATOM 0 H LEU A 31 1.066 5.944 11.355 1.00 25.00 H new ATOM 0 HA LEU A 31 2.442 3.491 11.860 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.057 4.455 12.476 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.433 3.325 11.190 1.00 25.00 H new ATOM 0 HG LEU A 31 1.168 2.748 13.697 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.725 1.202 14.229 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.260 2.892 14.071 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.545 1.741 12.745 1.00 25.00 H new ATOM 0 HD21 LEU A 31 1.156 0.362 13.053 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.429 0.805 11.490 1.00 25.00 H new ATOM 0 HD23 LEU A 31 2.063 1.376 11.906 1.00 25.00 H new ATOM 545 N LEU A 32 0.873 3.898 8.968 1.00 25.00 N ATOM 546 CA LEU A 32 0.824 3.436 7.572 1.00 25.00 C ATOM 547 C LEU A 32 2.182 3.487 6.869 1.00 25.00 C ATOM 548 O LEU A 32 2.402 2.766 5.906 1.00 25.00 O ATOM 549 CB LEU A 32 -0.189 4.236 6.750 1.00 25.00 C ATOM 550 CG LEU A 32 -1.674 3.836 6.834 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.917 2.333 6.656 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.285 4.301 8.113 1.00 25.00 C ATOM 0 H LEU A 32 0.266 4.692 9.172 1.00 25.00 H new ATOM 0 HA LEU A 32 0.514 2.393 7.629 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.109 5.281 7.049 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.112 4.179 5.704 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.158 4.336 5.995 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.985 2.126 6.727 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.551 2.018 5.679 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.388 1.784 7.435 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.333 4.004 8.144 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.756 3.852 8.953 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.213 5.387 8.177 1.00 25.00 H new ATOM 564 N LYS A 33 3.113 4.274 7.391 1.00 25.00 N ATOM 565 CA LYS A 33 4.501 4.254 6.887 1.00 25.00 C ATOM 566 C LYS A 33 5.035 2.821 6.910 1.00 25.00 C ATOM 567 O LYS A 33 5.654 2.355 5.964 1.00 25.00 O ATOM 568 CB LYS A 33 5.410 5.119 7.771 1.00 25.00 C ATOM 569 CG LYS A 33 6.897 5.097 7.371 1.00 25.00 C ATOM 570 CD LYS A 33 7.833 5.612 8.480 1.00 25.00 C ATOM 571 CE LYS A 33 7.858 7.136 8.606 1.00 25.00 C ATOM 572 NZ LYS A 33 6.682 7.680 9.351 1.00 25.00 N ATOM 0 H LYS A 33 2.947 4.930 8.154 1.00 25.00 H new ATOM 0 HA LYS A 33 4.499 4.647 5.870 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.053 6.149 7.740 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.319 4.782 8.804 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.181 4.078 7.110 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.035 5.705 6.477 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.523 5.183 9.433 1.00 25.00 H new ATOM 0 HD3 LYS A 33 8.844 5.256 8.284 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.774 7.438 9.114 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.886 7.577 7.610 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 6.857 8.675 9.597 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 5.833 7.615 8.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 6.537 7.129 10.221 1.00 25.00 H new ATOM 586 N PHE A 34 4.793 2.129 8.008 1.00 25.00 N ATOM 587 CA PHE A 34 5.297 0.775 8.193 1.00 25.00 C ATOM 588 C PHE A 34 4.498 -0.234 7.374 1.00 25.00 C ATOM 589 O PHE A 34 5.023 -1.269 6.983 1.00 25.00 O ATOM 590 CB PHE A 34 5.303 0.432 9.680 1.00 25.00 C ATOM 591 CG PHE A 34 6.369 1.171 10.449 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.160 2.500 10.863 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.603 0.555 10.738 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.160 3.209 11.568 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.616 1.256 11.443 1.00 25.00 C ATOM 596 CZ PHE A 34 8.390 2.588 11.855 1.00 25.00 C ATOM 0 H PHE A 34 4.246 2.483 8.793 1.00 25.00 H new ATOM 0 HA PHE A 34 6.322 0.724 7.825 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.327 0.666 10.105 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.454 -0.641 9.800 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.222 2.986 10.639 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.780 -0.462 10.420 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.980 4.225 11.886 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.556 0.773 11.664 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.158 3.128 12.388 1.00 25.00 H new ATOM 606 N PHE A 35 3.258 0.102 7.043 1.00 25.00 N ATOM 607 CA PHE A 35 2.461 -0.730 6.134 1.00 25.00 C ATOM 608 C PHE A 35 3.041 -0.612 4.720 1.00 25.00 C ATOM 609 O PHE A 35 2.867 -1.496 3.903 1.00 25.00 O ATOM 610 CB PHE A 35 0.989 -0.297 6.102 1.00 25.00 C ATOM 611 CG PHE A 35 0.166 -0.798 7.267 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.563 -0.588 8.604 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.037 -1.484 7.021 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.229 -1.074 9.673 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.830 -1.965 8.089 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.424 -1.757 9.411 1.00 25.00 C ATOM 0 H PHE A 35 2.780 0.936 7.384 1.00 25.00 H new ATOM 0 HA PHE A 35 2.503 -1.758 6.494 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.943 0.792 6.082 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.538 -0.652 5.175 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.477 -0.053 8.814 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.360 -1.646 6.003 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.089 -0.918 10.693 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.749 -2.493 7.883 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.030 -2.122 10.227 1.00 25.00 H new ATOM 626 N ASP A 36 3.742 0.474 4.429 1.00 25.00 N ATOM 627 CA ASP A 36 4.416 0.600 3.138 1.00 25.00 C ATOM 628 C ASP A 36 5.789 -0.074 3.184 1.00 25.00 C ATOM 629 O ASP A 36 6.282 -0.547 2.180 1.00 25.00 O ATOM 630 CB ASP A 36 4.553 2.066 2.728 1.00 25.00 C ATOM 631 CG ASP A 36 4.311 2.272 1.240 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.178 1.995 0.783 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.212 2.742 0.526 1.00 25.00 O ATOM 0 H ASP A 36 3.860 1.270 5.055 1.00 25.00 H new ATOM 0 HA ASP A 36 3.805 0.097 2.388 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.844 2.668 3.296 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.551 2.421 2.985 1.00 25.00 H new ATOM 638 N PHE A 37 6.391 -0.143 4.365 1.00 25.00 N ATOM 639 CA PHE A 37 7.713 -0.765 4.528 1.00 25.00 C ATOM 640 C PHE A 37 7.692 -2.279 4.287 1.00 25.00 C ATOM 641 O PHE A 37 8.641 -2.834 3.752 1.00 25.00 O ATOM 642 CB PHE A 37 8.266 -0.476 5.929 1.00 25.00 C ATOM 643 CG PHE A 37 9.657 -1.023 6.159 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.718 -0.683 5.295 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.911 -1.893 7.237 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.021 -1.206 5.502 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.212 -2.422 7.455 1.00 25.00 C ATOM 648 CZ PHE A 37 12.266 -2.076 6.584 1.00 25.00 C ATOM 0 H PHE A 37 5.990 0.222 5.229 1.00 25.00 H new ATOM 0 HA PHE A 37 8.361 -0.324 3.771 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.278 0.602 6.090 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.591 -0.901 6.671 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.537 -0.016 4.465 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.107 -2.162 7.906 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.824 -0.938 4.831 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.393 -3.088 8.286 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.256 -2.476 6.745 1.00 25.00 H new ATOM 658 N VAL A 38 6.603 -2.950 4.641 1.00 25.00 N ATOM 659 CA VAL A 38 6.501 -4.397 4.385 1.00 25.00 C ATOM 660 C VAL A 38 6.566 -4.666 2.879 1.00 25.00 C ATOM 661 O VAL A 38 7.109 -5.668 2.456 1.00 25.00 O ATOM 662 CB VAL A 38 5.211 -5.038 5.035 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.055 -4.080 5.046 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.780 -6.342 4.325 1.00 25.00 C ATOM 0 H VAL A 38 5.790 -2.535 5.097 1.00 25.00 H new ATOM 0 HA VAL A 38 7.351 -4.881 4.866 1.00 25.00 H new ATOM 0 HB VAL A 38 5.488 -5.276 6.062 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.189 -4.560 5.501 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.322 -3.194 5.621 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.813 -3.790 4.024 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.889 -6.743 4.809 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.560 -6.131 3.278 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.586 -7.073 4.386 1.00 25.00 H new ATOM 674 N LYS A 39 6.085 -3.731 2.073 1.00 25.00 N ATOM 675 CA LYS A 39 6.142 -3.858 0.609 1.00 25.00 C ATOM 676 C LYS A 39 7.585 -3.975 0.109 1.00 25.00 C ATOM 677 O LYS A 39 7.859 -4.714 -0.824 1.00 25.00 O ATOM 678 CB LYS A 39 5.508 -2.617 -0.014 1.00 25.00 C ATOM 679 CG LYS A 39 5.200 -2.684 -1.505 1.00 25.00 C ATOM 680 CD LYS A 39 5.202 -1.264 -2.106 1.00 25.00 C ATOM 681 CE LYS A 39 4.153 -0.352 -1.448 1.00 25.00 C ATOM 682 NZ LYS A 39 4.270 1.075 -1.893 1.00 25.00 N ATOM 0 H LYS A 39 5.648 -2.870 2.402 1.00 25.00 H new ATOM 0 HA LYS A 39 5.606 -4.763 0.322 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.580 -2.406 0.517 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.173 -1.771 0.159 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.941 -3.303 -2.011 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.230 -3.154 -1.664 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.191 -0.822 -1.986 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.008 -1.324 -3.177 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.155 -0.722 -1.685 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.262 -0.401 -0.365 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.326 1.510 -1.916 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 4.876 1.597 -1.229 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.690 1.109 -2.844 1.00 25.00 H new ATOM 696 N ASP A 40 8.485 -3.229 0.736 1.00 25.00 N ATOM 697 CA ASP A 40 9.901 -3.196 0.345 1.00 25.00 C ATOM 698 C ASP A 40 10.563 -4.558 0.541 1.00 25.00 C ATOM 699 O ASP A 40 11.184 -5.100 -0.363 1.00 25.00 O ATOM 700 CB ASP A 40 10.634 -2.143 1.197 1.00 25.00 C ATOM 701 CG ASP A 40 12.072 -1.916 0.751 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.290 -1.586 -0.429 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.979 -1.975 1.618 1.00 25.00 O ATOM 0 H ASP A 40 8.261 -2.628 1.529 1.00 25.00 H new ATOM 0 HA ASP A 40 9.961 -2.939 -0.712 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.090 -1.200 1.147 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.628 -2.459 2.240 1.00 25.00 H new ATOM 708 N THR A 41 10.416 -5.116 1.733 1.00 25.00 N ATOM 709 CA THR A 41 11.046 -6.395 2.061 1.00 25.00 C ATOM 710 C THR A 41 10.253 -7.603 1.559 1.00 25.00 C ATOM 711 O THR A 41 10.798 -8.681 1.338 1.00 25.00 O ATOM 712 CB THR A 41 11.195 -6.518 3.578 1.00 25.00 C ATOM 713 OG1 THR A 41 11.426 -5.218 4.128 1.00 25.00 O ATOM 714 CG2 THR A 41 12.358 -7.400 3.935 1.00 25.00 C ATOM 0 H THR A 41 9.868 -4.708 2.491 1.00 25.00 H new ATOM 0 HA THR A 41 12.015 -6.400 1.561 1.00 25.00 H new ATOM 0 HB THR A 41 10.282 -6.956 3.981 1.00 25.00 H new ATOM 0 HG1 THR A 41 12.385 -5.017 4.100 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.442 -7.471 5.019 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.202 -8.395 3.518 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.275 -6.975 3.527 1.00 25.00 H new ATOM 722 N CYS A 42 8.952 -7.426 1.416 1.00 25.00 N ATOM 723 CA CYS A 42 8.055 -8.491 0.972 1.00 25.00 C ATOM 724 C CYS A 42 7.171 -8.058 -0.202 1.00 25.00 C ATOM 725 O CYS A 42 5.954 -7.893 -0.041 1.00 25.00 O ATOM 726 CB CYS A 42 7.152 -8.931 2.127 1.00 25.00 C ATOM 727 SG CYS A 42 8.050 -9.552 3.551 1.00 25.00 S ATOM 0 H CYS A 42 8.482 -6.541 1.603 1.00 25.00 H new ATOM 0 HA CYS A 42 8.685 -9.316 0.639 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.537 -8.086 2.437 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.473 -9.706 1.771 1.00 25.00 H new ATOM 0 HG CYS A 42 9.154 -10.113 3.157 1.00 25.00 H new ATOM 733 N PRO A 43 7.741 -7.950 -1.415 1.00 25.00 N ATOM 734 CA PRO A 43 6.910 -7.576 -2.568 1.00 25.00 C ATOM 735 C PRO A 43 5.966 -8.704 -2.979 1.00 25.00 C ATOM 736 O PRO A 43 5.016 -8.513 -3.731 1.00 25.00 O ATOM 737 CB PRO A 43 7.948 -7.283 -3.651 1.00 25.00 C ATOM 738 CG PRO A 43 9.082 -8.186 -3.318 1.00 25.00 C ATOM 739 CD PRO A 43 9.145 -8.179 -1.810 1.00 25.00 C ATOM 0 HA PRO A 43 6.250 -6.732 -2.365 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.554 -7.487 -4.647 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.254 -6.237 -3.638 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.914 -9.192 -3.703 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.014 -7.829 -3.755 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.525 -9.123 -1.418 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.801 -7.392 -1.438 1.00 25.00 H new ATOM 747 N TRP A 44 6.212 -9.885 -2.434 1.00 25.00 N ATOM 748 CA TRP A 44 5.374 -11.050 -2.668 1.00 25.00 C ATOM 749 C TRP A 44 4.182 -11.113 -1.710 1.00 25.00 C ATOM 750 O TRP A 44 3.260 -11.891 -1.929 1.00 25.00 O ATOM 751 CB TRP A 44 6.231 -12.305 -2.535 1.00 25.00 C ATOM 752 CG TRP A 44 7.297 -12.138 -1.502 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.127 -12.053 -0.170 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.718 -12.006 -1.718 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.314 -11.892 0.485 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.321 -11.849 -0.436 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.539 -11.987 -2.863 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.708 -11.672 -0.271 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.938 -11.810 -2.702 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.505 -11.654 -1.402 1.00 25.00 C ATOM 0 H TRP A 44 7.002 -10.063 -1.814 1.00 25.00 H new ATOM 0 HA TRP A 44 4.960 -10.978 -3.674 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.598 -13.152 -2.271 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.689 -12.537 -3.497 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.167 -12.106 0.322 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.429 -11.816 1.496 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.111 -12.105 -3.847 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.139 -11.553 0.712 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.579 -11.793 -3.571 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.572 -11.520 -1.299 1.00 25.00 H new ATOM 771 N PHE A 45 4.165 -10.284 -0.672 1.00 25.00 N ATOM 772 CA PHE A 45 3.023 -10.270 0.251 1.00 25.00 C ATOM 773 C PHE A 45 1.729 -9.800 -0.448 1.00 25.00 C ATOM 774 O PHE A 45 0.712 -10.497 -0.374 1.00 25.00 O ATOM 775 CB PHE A 45 3.311 -9.414 1.495 1.00 25.00 C ATOM 776 CG PHE A 45 2.222 -9.481 2.537 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.117 -8.611 2.475 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.291 -10.426 3.581 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.081 -8.686 3.437 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.259 -10.505 4.556 1.00 25.00 C ATOM 781 CZ PHE A 45 0.152 -9.631 4.479 1.00 25.00 C ATOM 0 H PHE A 45 4.909 -9.624 -0.446 1.00 25.00 H new ATOM 0 HA PHE A 45 2.870 -11.298 0.579 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.250 -9.740 1.941 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.447 -8.377 1.189 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.059 -7.878 1.684 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.136 -11.096 3.641 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.765 -8.018 3.372 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.321 -11.231 5.353 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.636 -9.687 5.215 1.00 25.00 H new ATOM 791 N PRO A 46 1.749 -8.651 -1.171 1.00 25.00 N ATOM 792 CA PRO A 46 0.475 -8.354 -1.840 1.00 25.00 C ATOM 793 C PRO A 46 0.115 -9.336 -2.957 1.00 25.00 C ATOM 794 O PRO A 46 -1.054 -9.502 -3.279 1.00 25.00 O ATOM 795 CB PRO A 46 0.699 -6.943 -2.398 1.00 25.00 C ATOM 796 CG PRO A 46 2.149 -6.868 -2.629 1.00 25.00 C ATOM 797 CD PRO A 46 2.740 -7.588 -1.448 1.00 25.00 C ATOM 0 HA PRO A 46 -0.365 -8.436 -1.150 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.141 -6.787 -3.321 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.369 -6.180 -1.693 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.429 -7.344 -3.569 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.493 -5.835 -2.680 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.721 -8.002 -1.679 1.00 25.00 H new ATOM 0 HD3 PRO A 46 2.867 -6.923 -0.593 1.00 25.00 H new ATOM 805 N GLN A 47 1.108 -10.020 -3.515 1.00 25.00 N ATOM 806 CA GLN A 47 0.859 -10.997 -4.571 1.00 25.00 C ATOM 807 C GLN A 47 0.050 -12.194 -4.054 1.00 25.00 C ATOM 808 O GLN A 47 -0.777 -12.738 -4.779 1.00 25.00 O ATOM 809 CB GLN A 47 2.181 -11.480 -5.177 1.00 25.00 C ATOM 810 CG GLN A 47 1.992 -12.322 -6.440 1.00 25.00 C ATOM 811 CD GLN A 47 3.301 -12.728 -7.076 1.00 25.00 C ATOM 812 OE1 GLN A 47 3.597 -12.351 -8.197 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.077 -13.515 -6.377 1.00 25.00 N ATOM 0 H GLN A 47 2.089 -9.917 -3.256 1.00 25.00 H new ATOM 0 HA GLN A 47 0.271 -10.502 -5.344 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.802 -10.616 -5.414 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.721 -12.067 -4.434 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.421 -13.217 -6.192 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.402 -11.758 -7.162 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.795 -13.810 -5.442 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.964 -13.834 -6.767 1.00 25.00 H new ATOM 822 N GLU A 48 0.268 -12.594 -2.804 1.00 25.00 N ATOM 823 CA GLU A 48 -0.493 -13.712 -2.232 1.00 25.00 C ATOM 824 C GLU A 48 -1.971 -13.346 -2.098 1.00 25.00 C ATOM 825 O GLU A 48 -2.843 -14.207 -2.197 1.00 25.00 O ATOM 826 CB GLU A 48 0.050 -14.123 -0.859 1.00 25.00 C ATOM 827 CG GLU A 48 1.413 -14.807 -0.909 1.00 25.00 C ATOM 828 CD GLU A 48 1.644 -15.719 0.289 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.449 -15.279 1.446 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.947 -16.919 0.081 1.00 25.00 O ATOM 0 H GLU A 48 0.951 -12.173 -2.174 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.384 -14.554 -2.915 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.123 -13.237 -0.229 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.665 -14.795 -0.383 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.492 -15.389 -1.827 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.196 -14.050 -0.943 1.00 25.00 H new ATOM 837 N GLY A 49 -2.250 -12.065 -1.896 1.00 25.00 N ATOM 838 CA GLY A 49 -3.625 -11.594 -1.838 1.00 25.00 C ATOM 839 C GLY A 49 -4.440 -12.170 -0.695 1.00 25.00 C ATOM 840 O GLY A 49 -5.648 -12.338 -0.822 1.00 25.00 O ATOM 0 H GLY A 49 -1.546 -11.338 -1.770 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.620 -10.507 -1.752 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.119 -11.838 -2.779 1.00 25.00 H new ATOM 844 N THR A 50 -3.783 -12.509 0.405 1.00 25.00 N ATOM 845 CA THR A 50 -4.458 -13.069 1.577 1.00 25.00 C ATOM 846 C THR A 50 -3.717 -12.587 2.816 1.00 25.00 C ATOM 847 O THR A 50 -2.488 -12.517 2.815 1.00 25.00 O ATOM 848 CB THR A 50 -4.451 -14.609 1.545 1.00 25.00 C ATOM 849 OG1 THR A 50 -5.089 -15.065 0.351 1.00 25.00 O ATOM 850 CG2 THR A 50 -5.197 -15.212 2.743 1.00 25.00 C ATOM 0 H THR A 50 -2.774 -12.406 0.515 1.00 25.00 H new ATOM 0 HA THR A 50 -5.497 -12.741 1.585 1.00 25.00 H new ATOM 0 HB THR A 50 -3.410 -14.929 1.583 1.00 25.00 H new ATOM 0 HG1 THR A 50 -5.083 -16.045 0.330 1.00 25.00 H new ATOM 0 HG21 THR A 50 -5.167 -16.300 2.680 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.720 -14.889 3.669 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.234 -14.876 2.732 1.00 25.00 H new ATOM 858 N ILE A 51 -4.456 -12.236 3.858 1.00 25.00 N ATOM 859 CA ILE A 51 -3.885 -11.672 5.074 1.00 25.00 C ATOM 860 C ILE A 51 -4.314 -12.490 6.284 1.00 25.00 C ATOM 861 O ILE A 51 -5.473 -12.517 6.683 1.00 25.00 O ATOM 862 CB ILE A 51 -4.314 -10.189 5.214 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.734 -9.398 4.032 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.840 -9.565 6.559 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.168 -7.994 3.969 1.00 25.00 C ATOM 0 H ILE A 51 -5.471 -12.334 3.885 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.797 -11.709 5.016 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.403 -10.143 5.209 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.646 -9.427 4.090 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.017 -9.895 3.104 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.164 -8.526 6.612 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.271 -10.122 7.391 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.752 -9.610 6.618 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.712 -7.511 3.105 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.253 -7.952 3.877 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.861 -7.477 4.878 1.00 25.00 H new ATOM 877 N ASP A 52 -3.339 -13.155 6.874 1.00 25.00 N ATOM 878 CA ASP A 52 -3.546 -13.940 8.082 1.00 25.00 C ATOM 879 C ASP A 52 -2.255 -13.875 8.852 1.00 25.00 C ATOM 880 O ASP A 52 -1.205 -13.569 8.280 1.00 25.00 O ATOM 881 CB ASP A 52 -3.846 -15.396 7.765 1.00 25.00 C ATOM 882 CG ASP A 52 -4.026 -16.219 9.010 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.834 -15.829 9.873 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.195 -17.125 9.222 1.00 25.00 O ATOM 0 H ASP A 52 -2.379 -13.168 6.531 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.395 -13.543 8.639 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.749 -15.456 7.157 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.033 -15.812 7.170 1.00 25.00 H new ATOM 889 N ILE A 53 -2.311 -14.181 10.135 1.00 25.00 N ATOM 890 CA ILE A 53 -1.139 -14.100 10.978 1.00 25.00 C ATOM 891 C ILE A 53 -0.068 -15.075 10.524 1.00 25.00 C ATOM 892 O ILE A 53 1.109 -14.777 10.628 1.00 25.00 O ATOM 893 CB ILE A 53 -1.527 -14.326 12.465 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.381 -13.931 13.418 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.882 -15.792 12.756 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.166 -12.539 13.241 1.00 25.00 C ATOM 0 H ILE A 53 -3.158 -14.488 10.614 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.718 -13.099 10.889 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.398 -13.694 12.636 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.734 -14.035 14.444 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.435 -14.641 13.289 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.146 -15.900 13.808 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.727 -16.091 12.137 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.024 -16.426 12.530 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.966 -12.368 13.961 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.558 -12.428 12.230 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.630 -11.812 13.403 1.00 25.00 H new ATOM 908 N LYS A 54 -0.458 -16.217 9.970 1.00 25.00 N ATOM 909 CA LYS A 54 0.516 -17.214 9.526 1.00 25.00 C ATOM 910 C LYS A 54 1.319 -16.692 8.340 1.00 25.00 C ATOM 911 O LYS A 54 2.494 -17.007 8.207 1.00 25.00 O ATOM 912 CB LYS A 54 -0.199 -18.523 9.174 1.00 25.00 C ATOM 913 CG LYS A 54 -0.807 -19.216 10.411 1.00 25.00 C ATOM 914 CD LYS A 54 -1.962 -20.161 10.065 1.00 25.00 C ATOM 915 CE LYS A 54 -1.504 -21.417 9.335 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.686 -22.309 9.057 1.00 25.00 N ATOM 0 H LYS A 54 -1.432 -16.477 9.817 1.00 25.00 H new ATOM 0 HA LYS A 54 1.215 -17.410 10.339 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.989 -18.319 8.451 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.506 -19.200 8.692 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.027 -19.778 10.925 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.163 -18.456 11.107 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.477 -20.448 10.982 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -2.685 -19.631 9.446 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.014 -21.146 8.400 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -0.769 -21.950 9.937 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -2.366 -23.164 8.559 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.136 -22.579 9.955 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.373 -21.800 8.465 1.00 25.00 H new ATOM 930 N ARG A 55 0.713 -15.856 7.508 1.00 25.00 N ATOM 931 CA ARG A 55 1.446 -15.238 6.396 1.00 25.00 C ATOM 932 C ARG A 55 2.250 -14.052 6.914 1.00 25.00 C ATOM 933 O ARG A 55 3.373 -13.822 6.492 1.00 25.00 O ATOM 934 CB ARG A 55 0.481 -14.779 5.305 1.00 25.00 C ATOM 935 CG ARG A 55 -0.295 -15.929 4.682 1.00 25.00 C ATOM 936 CD ARG A 55 -1.262 -15.416 3.645 1.00 25.00 C ATOM 937 NE ARG A 55 -2.141 -16.481 3.134 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.891 -17.246 2.076 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.786 -17.163 1.392 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.787 -18.116 1.699 1.00 25.00 N ATOM 0 H ARG A 55 -0.269 -15.589 7.574 1.00 25.00 H new ATOM 0 HA ARG A 55 2.123 -15.976 5.966 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.221 -14.059 5.726 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.040 -14.260 4.526 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.397 -16.636 4.224 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.838 -16.471 5.457 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.870 -14.621 4.078 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.706 -14.977 2.817 1.00 25.00 H new ATOM 0 HE ARG A 55 -3.015 -16.646 3.634 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -0.069 -16.490 1.662 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.638 -17.771 0.587 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.663 -18.201 2.214 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.611 -18.711 0.889 1.00 25.00 H new ATOM 954 N TRP A 56 1.678 -13.333 7.868 1.00 25.00 N ATOM 955 CA TRP A 56 2.328 -12.171 8.477 1.00 25.00 C ATOM 956 C TRP A 56 3.621 -12.534 9.210 1.00 25.00 C ATOM 957 O TRP A 56 4.520 -11.704 9.318 1.00 25.00 O ATOM 958 CB TRP A 56 1.356 -11.502 9.447 1.00 25.00 C ATOM 959 CG TRP A 56 1.819 -10.159 9.945 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.138 -9.819 11.218 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.013 -8.956 9.172 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.508 -8.509 11.316 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.453 -7.942 10.073 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.865 -8.634 7.808 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.759 -6.635 9.647 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.177 -7.322 7.374 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.621 -6.334 8.304 1.00 25.00 C ATOM 0 H TRP A 56 0.752 -13.534 8.245 1.00 25.00 H new ATOM 0 HA TRP A 56 2.599 -11.488 7.672 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.391 -11.383 8.955 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.199 -12.161 10.301 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.103 -10.502 12.054 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.781 -8.032 12.175 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.519 -9.376 7.104 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.093 -5.887 10.351 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.078 -7.067 6.329 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.852 -5.339 7.954 1.00 25.00 H new ATOM 978 N ARG A 57 3.737 -13.780 9.670 1.00 25.00 N ATOM 979 CA ARG A 57 4.974 -14.247 10.333 1.00 25.00 C ATOM 980 C ARG A 57 6.181 -13.963 9.443 1.00 25.00 C ATOM 981 O ARG A 57 7.173 -13.401 9.891 1.00 25.00 O ATOM 982 CB ARG A 57 4.963 -15.765 10.622 1.00 25.00 C ATOM 983 CG ARG A 57 3.760 -16.329 11.386 1.00 25.00 C ATOM 984 CD ARG A 57 3.441 -15.586 12.680 1.00 25.00 C ATOM 985 NE ARG A 57 2.531 -16.336 13.564 1.00 25.00 N ATOM 986 CZ ARG A 57 2.896 -17.260 14.446 1.00 25.00 C ATOM 987 NH1 ARG A 57 4.144 -17.636 14.599 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.983 -17.810 15.201 1.00 25.00 N ATOM 0 H ARG A 57 3.003 -14.484 9.601 1.00 25.00 H new ATOM 0 HA ARG A 57 5.033 -13.709 11.279 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.033 -16.290 9.669 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.864 -16.007 11.186 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.885 -16.299 10.737 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.949 -17.377 11.618 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.369 -15.380 13.213 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.992 -14.623 12.438 1.00 25.00 H new ATOM 0 HE ARG A 57 1.535 -16.128 13.492 1.00 25.00 H new ATOM 0 HH11 ARG A 57 4.877 -17.215 14.028 1.00 25.00 H new ATOM 0 HH12 ARG A 57 4.381 -18.349 15.288 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.007 -17.528 15.108 1.00 25.00 H new ATOM 0 HH22 ARG A 57 2.246 -18.521 15.883 1.00 25.00 H new ATOM 1002 N ARG A 58 6.046 -14.318 8.169 1.00 25.00 N ATOM 1003 CA ARG A 58 7.121 -14.178 7.181 1.00 25.00 C ATOM 1004 C ARG A 58 7.647 -12.769 7.059 1.00 25.00 C ATOM 1005 O ARG A 58 8.790 -12.571 6.721 1.00 25.00 O ATOM 1006 CB ARG A 58 6.621 -14.582 5.798 1.00 25.00 C ATOM 1007 CG ARG A 58 6.197 -16.029 5.655 1.00 25.00 C ATOM 1008 CD ARG A 58 5.516 -16.184 4.313 1.00 25.00 C ATOM 1009 NE ARG A 58 5.139 -17.572 4.005 1.00 25.00 N ATOM 1010 CZ ARG A 58 4.378 -17.934 2.978 1.00 25.00 C ATOM 1011 NH1 ARG A 58 3.867 -17.055 2.159 1.00 25.00 N ATOM 1012 NH2 ARG A 58 4.128 -19.196 2.771 1.00 25.00 N ATOM 0 H ARG A 58 5.186 -14.713 7.787 1.00 25.00 H new ATOM 0 HA ARG A 58 7.924 -14.825 7.535 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.775 -13.946 5.537 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.409 -14.379 5.072 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.062 -16.688 5.722 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.519 -16.309 6.461 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.623 -15.560 4.293 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.180 -15.814 3.532 1.00 25.00 H new ATOM 0 HE ARG A 58 5.485 -18.307 4.622 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.049 -16.061 2.299 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.286 -17.362 1.379 1.00 25.00 H new ATOM 0 HH21 ARG A 58 4.516 -19.902 3.396 1.00 25.00 H new ATOM 0 HH22 ARG A 58 3.544 -19.478 1.984 1.00 25.00 H new ATOM 1026 N VAL A 59 6.800 -11.786 7.300 1.00 25.00 N ATOM 1027 CA VAL A 59 7.195 -10.392 7.143 1.00 25.00 C ATOM 1028 C VAL A 59 8.218 -10.024 8.204 1.00 25.00 C ATOM 1029 O VAL A 59 9.190 -9.327 7.938 1.00 25.00 O ATOM 1030 CB VAL A 59 5.969 -9.464 7.261 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.364 -8.020 7.046 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.908 -9.881 6.252 1.00 25.00 C ATOM 0 H VAL A 59 5.836 -11.922 7.604 1.00 25.00 H new ATOM 0 HA VAL A 59 7.635 -10.266 6.154 1.00 25.00 H new ATOM 0 HB VAL A 59 5.559 -9.554 8.267 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.483 -7.385 7.134 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.098 -7.728 7.797 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.796 -7.905 6.052 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.044 -9.222 6.339 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.317 -9.811 5.244 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.602 -10.909 6.449 1.00 25.00 H new ATOM 1042 N GLY A 60 8.009 -10.529 9.406 1.00 25.00 N ATOM 1043 CA GLY A 60 8.928 -10.249 10.488 1.00 25.00 C ATOM 1044 C GLY A 60 10.208 -11.029 10.308 1.00 25.00 C ATOM 1045 O GLY A 60 11.292 -10.523 10.584 1.00 25.00 O ATOM 0 H GLY A 60 7.221 -11.127 9.654 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.147 -9.182 10.520 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.467 -10.509 11.441 1.00 25.00 H new ATOM 1049 N ASP A 61 10.080 -12.241 9.789 1.00 25.00 N ATOM 1050 CA ASP A 61 11.240 -13.084 9.498 1.00 25.00 C ATOM 1051 C ASP A 61 12.089 -12.378 8.432 1.00 25.00 C ATOM 1052 O ASP A 61 13.314 -12.332 8.508 1.00 25.00 O ATOM 1053 CB ASP A 61 10.790 -14.461 8.978 1.00 25.00 C ATOM 1054 CG ASP A 61 9.879 -15.203 9.962 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.078 -15.088 11.191 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.936 -15.888 9.492 1.00 25.00 O ATOM 0 H ASP A 61 9.183 -12.668 9.558 1.00 25.00 H new ATOM 0 HA ASP A 61 11.821 -13.238 10.408 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.265 -14.332 8.031 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.670 -15.072 8.774 1.00 25.00 H new ATOM 1061 N CYS A 62 11.408 -11.774 7.466 1.00 25.00 N ATOM 1062 CA CYS A 62 12.055 -11.013 6.402 1.00 25.00 C ATOM 1063 C CYS A 62 12.790 -9.797 6.952 1.00 25.00 C ATOM 1064 O CYS A 62 13.931 -9.546 6.584 1.00 25.00 O ATOM 1065 CB CYS A 62 11.008 -10.536 5.395 1.00 25.00 C ATOM 1066 SG CYS A 62 11.215 -11.225 3.736 1.00 25.00 S ATOM 0 H CYS A 62 10.391 -11.797 7.397 1.00 25.00 H new ATOM 0 HA CYS A 62 12.777 -11.671 5.919 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.017 -10.798 5.765 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.047 -9.448 5.333 1.00 25.00 H new ATOM 0 HG CYS A 62 11.101 -10.276 2.855 1.00 25.00 H new ATOM 1072 N PHE A 63 12.152 -9.046 7.842 1.00 25.00 N ATOM 1073 CA PHE A 63 12.798 -7.867 8.423 1.00 25.00 C ATOM 1074 C PHE A 63 14.032 -8.282 9.200 1.00 25.00 C ATOM 1075 O PHE A 63 14.999 -7.542 9.259 1.00 25.00 O ATOM 1076 CB PHE A 63 11.883 -7.118 9.397 1.00 25.00 C ATOM 1077 CG PHE A 63 10.674 -6.469 8.763 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.703 -5.968 7.441 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.496 -6.321 9.518 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.563 -5.327 6.886 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.359 -5.673 8.976 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.395 -5.176 7.658 1.00 25.00 C ATOM 0 H PHE A 63 11.205 -9.224 8.175 1.00 25.00 H new ATOM 0 HA PHE A 63 13.047 -7.212 7.588 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.543 -7.815 10.163 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.467 -6.349 9.903 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.599 -6.074 6.848 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.458 -6.707 10.526 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.592 -4.956 5.872 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.466 -5.560 9.572 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.530 -4.681 7.241 1.00 25.00 H new ATOM 1092 N GLN A 64 13.990 -9.456 9.809 1.00 25.00 N ATOM 1093 CA GLN A 64 15.113 -9.932 10.606 1.00 25.00 C ATOM 1094 C GLN A 64 16.329 -10.187 9.726 1.00 25.00 C ATOM 1095 O GLN A 64 17.436 -9.821 10.083 1.00 25.00 O ATOM 1096 CB GLN A 64 14.727 -11.201 11.370 1.00 25.00 C ATOM 1097 CG GLN A 64 15.753 -11.625 12.408 1.00 25.00 C ATOM 1098 CD GLN A 64 15.311 -12.852 13.172 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.798 -12.759 14.276 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.498 -14.005 12.584 1.00 25.00 N ATOM 0 H GLN A 64 13.196 -10.095 9.768 1.00 25.00 H new ATOM 0 HA GLN A 64 15.372 -9.158 11.329 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.769 -11.040 11.864 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.586 -12.014 10.658 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.704 -11.827 11.916 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.923 -10.805 13.106 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.930 -14.043 11.661 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.212 -14.867 13.049 1.00 25.00 H new ATOM 1109 N ASP A 65 16.129 -10.777 8.560 1.00 25.00 N ATOM 1110 CA ASP A 65 17.260 -11.050 7.674 1.00 25.00 C ATOM 1111 C ASP A 65 17.737 -9.776 6.985 1.00 25.00 C ATOM 1112 O ASP A 65 18.927 -9.564 6.775 1.00 25.00 O ATOM 1113 CB ASP A 65 16.879 -12.095 6.637 1.00 25.00 C ATOM 1114 CG ASP A 65 18.063 -12.951 6.218 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.973 -13.161 7.058 1.00 25.00 O ATOM 1116 OD2 ASP A 65 18.062 -13.452 5.077 1.00 25.00 O ATOM 0 H ASP A 65 15.219 -11.072 8.206 1.00 25.00 H new ATOM 0 HA ASP A 65 18.079 -11.436 8.282 1.00 25.00 H new ATOM 0 HB2 ASP A 65 16.095 -12.736 7.041 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.464 -11.599 5.760 1.00 25.00 H new ATOM 1121 N TYR A 66 16.796 -8.888 6.705 1.00 25.00 N ATOM 1122 CA TYR A 66 17.102 -7.579 6.134 1.00 25.00 C ATOM 1123 C TYR A 66 17.988 -6.810 7.124 1.00 25.00 C ATOM 1124 O TYR A 66 18.960 -6.147 6.746 1.00 25.00 O ATOM 1125 CB TYR A 66 15.776 -6.844 5.898 1.00 25.00 C ATOM 1126 CG TYR A 66 15.777 -5.681 4.919 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.894 -5.371 4.104 1.00 25.00 C ATOM 1128 CD2 TYR A 66 14.613 -4.895 4.778 1.00 25.00 C ATOM 1129 CE1 TYR A 66 16.826 -4.307 3.158 1.00 25.00 C ATOM 1130 CE2 TYR A 66 14.545 -3.849 3.834 1.00 25.00 C ATOM 1131 CZ TYR A 66 15.643 -3.571 3.029 1.00 25.00 C ATOM 1132 OH TYR A 66 15.541 -2.572 2.100 1.00 25.00 O ATOM 0 H TYR A 66 15.802 -9.050 6.865 1.00 25.00 H new ATOM 0 HA TYR A 66 17.635 -7.669 5.187 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.045 -7.574 5.551 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.423 -6.472 6.860 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.804 -5.945 4.200 1.00 25.00 H new ATOM 0 HD2 TYR A 66 13.758 -5.098 5.405 1.00 25.00 H new ATOM 0 HE1 TYR A 66 17.683 -4.070 2.544 1.00 25.00 H new ATOM 0 HE2 TYR A 66 13.641 -3.265 3.737 1.00 25.00 H new ATOM 0 HH TYR A 66 14.618 -2.244 2.072 1.00 25.00 H new ATOM 1142 N PHE A 67 17.663 -6.957 8.402 1.00 25.00 N ATOM 1143 CA PHE A 67 18.433 -6.354 9.489 1.00 25.00 C ATOM 1144 C PHE A 67 19.801 -7.028 9.627 1.00 25.00 C ATOM 1145 O PHE A 67 20.795 -6.360 9.865 1.00 25.00 O ATOM 1146 CB PHE A 67 17.643 -6.493 10.795 1.00 25.00 C ATOM 1147 CG PHE A 67 18.280 -5.821 11.979 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.278 -6.477 12.726 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.860 -4.541 12.377 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.863 -5.855 13.854 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.426 -3.915 13.508 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.435 -4.571 14.246 1.00 25.00 C ATOM 0 H PHE A 67 16.858 -7.498 8.717 1.00 25.00 H new ATOM 0 HA PHE A 67 18.599 -5.300 9.267 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.646 -6.077 10.649 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.516 -7.552 11.018 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.600 -7.466 12.434 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.095 -4.030 11.811 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.635 -6.363 14.413 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.087 -2.935 13.809 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.877 -4.091 15.107 1.00 25.00 H new ATOM 1162 N ASN A 68 19.862 -8.341 9.460 1.00 25.00 N ATOM 1163 CA ASN A 68 21.135 -9.062 9.576 1.00 25.00 C ATOM 1164 C ASN A 68 22.100 -8.633 8.479 1.00 25.00 C ATOM 1165 O ASN A 68 23.306 -8.570 8.689 1.00 25.00 O ATOM 1166 CB ASN A 68 20.933 -10.580 9.447 1.00 25.00 C ATOM 1167 CG ASN A 68 20.191 -11.179 10.609 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.252 -10.693 11.730 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.508 -12.265 10.356 1.00 25.00 N ATOM 0 H ASN A 68 19.057 -8.930 9.246 1.00 25.00 H new ATOM 0 HA ASN A 68 21.541 -8.823 10.559 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.387 -10.791 8.528 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.906 -11.063 9.357 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.003 -12.736 11.106 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.480 -12.641 9.408 1.00 25.00 H new ATOM 1176 N THR A 69 21.562 -8.383 7.296 1.00 25.00 N ATOM 1177 CA THR A 69 22.383 -8.067 6.130 1.00 25.00 C ATOM 1178 C THR A 69 23.016 -6.675 6.205 1.00 25.00 C ATOM 1179 O THR A 69 24.174 -6.497 5.829 1.00 25.00 O ATOM 1180 CB THR A 69 21.529 -8.156 4.834 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.859 -9.419 4.788 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.393 -8.063 3.587 1.00 25.00 C ATOM 0 H THR A 69 20.558 -8.392 7.114 1.00 25.00 H new ATOM 0 HA THR A 69 23.189 -8.801 6.114 1.00 25.00 H new ATOM 0 HB THR A 69 20.823 -7.325 4.855 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.171 -9.450 5.485 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.761 -8.129 2.701 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.925 -7.112 3.583 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.113 -8.882 3.581 1.00 25.00 H new ATOM 1190 N PHE A 70 22.254 -5.682 6.649 1.00 25.00 N ATOM 1191 CA PHE A 70 22.727 -4.290 6.610 1.00 25.00 C ATOM 1192 C PHE A 70 22.764 -3.556 7.955 1.00 25.00 C ATOM 1193 O PHE A 70 23.089 -2.369 8.012 1.00 25.00 O ATOM 1194 CB PHE A 70 21.846 -3.500 5.655 1.00 25.00 C ATOM 1195 CG PHE A 70 21.806 -4.051 4.260 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.938 -3.970 3.428 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.628 -4.636 3.760 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.901 -4.473 2.103 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.575 -5.141 2.436 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.715 -5.058 1.607 1.00 25.00 C ATOM 0 H PHE A 70 21.318 -5.804 7.036 1.00 25.00 H new ATOM 0 HA PHE A 70 23.765 -4.351 6.283 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.831 -3.472 6.052 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.202 -2.470 5.617 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.845 -3.520 3.803 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.754 -4.701 4.392 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.777 -4.409 1.475 1.00 25.00 H new ATOM 0 HE2 PHE A 70 19.665 -5.588 2.063 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.680 -5.440 0.598 1.00 25.00 H new ATOM 1210 N GLY A 71 22.438 -4.242 9.036 1.00 25.00 N ATOM 1211 CA GLY A 71 22.497 -3.630 10.353 1.00 25.00 C ATOM 1212 C GLY A 71 21.330 -2.715 10.702 1.00 25.00 C ATOM 1213 O GLY A 71 20.379 -2.555 9.919 1.00 25.00 O ATOM 0 H GLY A 71 22.132 -5.215 9.030 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.552 -4.421 11.100 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.421 -3.057 10.427 1.00 25.00 H new ATOM 1217 N PRO A 72 21.378 -2.077 11.889 1.00 25.00 N ATOM 1218 CA PRO A 72 20.286 -1.222 12.377 1.00 25.00 C ATOM 1219 C PRO A 72 20.138 0.115 11.664 1.00 25.00 C ATOM 1220 O PRO A 72 19.170 0.839 11.884 1.00 25.00 O ATOM 1221 CB PRO A 72 20.661 -1.003 13.844 1.00 25.00 C ATOM 1222 CG PRO A 72 22.135 -1.045 13.844 1.00 25.00 C ATOM 1223 CD PRO A 72 22.470 -2.154 12.880 1.00 25.00 C ATOM 0 HA PRO A 72 19.321 -1.699 12.205 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.289 -0.047 14.213 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.239 -1.778 14.484 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.561 -0.095 13.522 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.528 -1.250 14.840 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.446 -2.005 12.417 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.497 -3.124 13.376 1.00 25.00 H new ATOM 1231 N GLU A 73 21.103 0.456 10.825 1.00 25.00 N ATOM 1232 CA GLU A 73 21.057 1.715 10.091 1.00 25.00 C ATOM 1233 C GLU A 73 20.109 1.596 8.900 1.00 25.00 C ATOM 1234 O GLU A 73 19.450 2.561 8.519 1.00 25.00 O ATOM 1235 CB GLU A 73 22.464 2.088 9.618 1.00 25.00 C ATOM 1236 CG GLU A 73 23.418 2.359 10.779 1.00 25.00 C ATOM 1237 CD GLU A 73 24.807 2.766 10.316 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.931 3.790 9.610 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.780 2.075 10.686 1.00 25.00 O ATOM 0 H GLU A 73 21.925 -0.117 10.634 1.00 25.00 H new ATOM 0 HA GLU A 73 20.686 2.500 10.750 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.864 1.281 9.004 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.408 2.973 8.984 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.004 3.147 11.407 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.494 1.465 11.398 1.00 25.00 H new ATOM 1246 N LYS A 74 20.022 0.403 8.325 1.00 25.00 N ATOM 1247 CA LYS A 74 19.141 0.178 7.175 1.00 25.00 C ATOM 1248 C LYS A 74 17.741 -0.209 7.617 1.00 25.00 C ATOM 1249 O LYS A 74 16.760 0.255 7.038 1.00 25.00 O ATOM 1250 CB LYS A 74 19.720 -0.910 6.280 1.00 25.00 C ATOM 1251 CG LYS A 74 19.713 -0.583 4.780 1.00 25.00 C ATOM 1252 CD LYS A 74 18.306 -0.536 4.187 1.00 25.00 C ATOM 1253 CE LYS A 74 18.373 -0.312 2.680 1.00 25.00 C ATOM 1254 NZ LYS A 74 17.002 -0.159 2.085 1.00 25.00 N ATOM 0 H LYS A 74 20.543 -0.419 8.629 1.00 25.00 H new ATOM 0 HA LYS A 74 19.074 1.112 6.617 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.746 -1.107 6.590 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.157 -1.830 6.439 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.201 0.379 4.621 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.301 -1.331 4.248 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.783 -1.468 4.400 1.00 25.00 H new ATOM 0 HD3 LYS A 74 17.733 0.265 4.655 1.00 25.00 H new ATOM 0 HE2 LYS A 74 18.964 0.579 2.469 1.00 25.00 H new ATOM 0 HE3 LYS A 74 18.884 -1.152 2.209 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 17.086 0.125 1.088 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 16.494 -1.065 2.145 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 16.475 0.568 2.609 1.00 25.00 H new ATOM 1268 N VAL A 75 17.637 -1.044 8.641 1.00 25.00 N ATOM 1269 CA VAL A 75 16.325 -1.402 9.174 1.00 25.00 C ATOM 1270 C VAL A 75 16.316 -0.974 10.633 1.00 25.00 C ATOM 1271 O VAL A 75 17.204 -1.344 11.391 1.00 25.00 O ATOM 1272 CB VAL A 75 16.104 -2.946 9.082 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.723 -3.354 9.637 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.236 -3.411 7.635 1.00 25.00 C ATOM 0 H VAL A 75 18.428 -1.481 9.114 1.00 25.00 H new ATOM 0 HA VAL A 75 15.532 -0.914 8.608 1.00 25.00 H new ATOM 0 HB VAL A 75 16.870 -3.427 9.691 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.604 -4.434 9.557 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.649 -3.057 10.683 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.940 -2.859 9.063 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.080 -4.489 7.583 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.490 -2.907 7.021 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.233 -3.171 7.265 1.00 25.00 H new ATOM 1284 N PRO A 76 15.271 -0.258 11.074 1.00 25.00 N ATOM 1285 CA PRO A 76 15.312 0.114 12.490 1.00 25.00 C ATOM 1286 C PRO A 76 14.848 -1.012 13.398 1.00 25.00 C ATOM 1287 O PRO A 76 14.003 -1.818 13.022 1.00 25.00 O ATOM 1288 CB PRO A 76 14.348 1.295 12.551 1.00 25.00 C ATOM 1289 CG PRO A 76 13.337 1.000 11.502 1.00 25.00 C ATOM 1290 CD PRO A 76 14.092 0.312 10.389 1.00 25.00 C ATOM 0 HA PRO A 76 16.320 0.345 12.834 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.887 1.381 13.535 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.860 2.237 12.356 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.544 0.361 11.891 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.863 1.915 11.146 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.490 -0.463 9.914 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.382 1.014 9.607 1.00 25.00 H new ATOM 1298 N VAL A 77 15.308 -1.012 14.639 1.00 25.00 N ATOM 1299 CA VAL A 77 14.835 -1.997 15.613 1.00 25.00 C ATOM 1300 C VAL A 77 13.350 -1.772 15.920 1.00 25.00 C ATOM 1301 O VAL A 77 12.642 -2.681 16.350 1.00 25.00 O ATOM 1302 CB VAL A 77 15.671 -1.953 16.926 1.00 25.00 C ATOM 1303 CG1 VAL A 77 17.126 -2.353 16.641 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.636 -0.550 17.577 1.00 25.00 C ATOM 0 H VAL A 77 15.999 -0.353 14.997 1.00 25.00 H new ATOM 0 HA VAL A 77 14.962 -2.986 15.172 1.00 25.00 H new ATOM 0 HB VAL A 77 15.226 -2.662 17.624 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.701 -2.319 17.566 1.00 25.00 H new ATOM 0 HG12 VAL A 77 17.152 -3.364 16.235 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.559 -1.661 15.919 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.230 -0.558 18.491 1.00 25.00 H new ATOM 0 HG22 VAL A 77 16.047 0.183 16.883 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.606 -0.286 17.816 1.00 25.00 H new ATOM 1314 N THR A 78 12.852 -0.573 15.636 1.00 25.00 N ATOM 1315 CA THR A 78 11.439 -0.280 15.852 1.00 25.00 C ATOM 1316 C THR A 78 10.572 -0.949 14.796 1.00 25.00 C ATOM 1317 O THR A 78 9.384 -1.125 15.010 1.00 25.00 O ATOM 1318 CB THR A 78 11.149 1.248 15.894 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.993 1.486 16.698 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.899 1.844 14.519 1.00 25.00 C ATOM 0 H THR A 78 13.397 0.203 15.260 1.00 25.00 H new ATOM 0 HA THR A 78 11.185 -0.690 16.830 1.00 25.00 H new ATOM 0 HB THR A 78 12.037 1.725 16.310 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.209 1.596 16.120 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.703 2.912 14.615 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.777 1.692 13.891 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.037 1.357 14.062 1.00 25.00 H new ATOM 1328 N ALA A 79 11.153 -1.375 13.680 1.00 25.00 N ATOM 1329 CA ALA A 79 10.366 -2.047 12.651 1.00 25.00 C ATOM 1330 C ALA A 79 9.758 -3.318 13.232 1.00 25.00 C ATOM 1331 O ALA A 79 8.621 -3.646 12.946 1.00 25.00 O ATOM 1332 CB ALA A 79 11.229 -2.368 11.439 1.00 25.00 C ATOM 0 H ALA A 79 12.145 -1.271 13.466 1.00 25.00 H new ATOM 0 HA ALA A 79 9.565 -1.385 12.322 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.623 -2.869 10.684 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.634 -1.444 11.026 1.00 25.00 H new ATOM 0 HB3 ALA A 79 12.048 -3.021 11.739 1.00 25.00 H new ATOM 1338 N PHE A 80 10.503 -4.001 14.089 1.00 25.00 N ATOM 1339 CA PHE A 80 10.010 -5.216 14.732 1.00 25.00 C ATOM 1340 C PHE A 80 8.937 -4.901 15.766 1.00 25.00 C ATOM 1341 O PHE A 80 8.022 -5.686 15.988 1.00 25.00 O ATOM 1342 CB PHE A 80 11.166 -5.941 15.413 1.00 25.00 C ATOM 1343 CG PHE A 80 12.277 -6.290 14.474 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.155 -7.396 13.617 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.449 -5.511 14.429 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.186 -7.725 12.722 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.488 -5.825 13.524 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.355 -6.935 12.670 1.00 25.00 C ATOM 0 H PHE A 80 11.451 -3.737 14.357 1.00 25.00 H new ATOM 0 HA PHE A 80 9.570 -5.849 13.962 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.559 -5.314 16.213 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.791 -6.853 15.877 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.260 -7.999 13.647 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.555 -4.665 15.092 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.085 -8.583 12.073 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.379 -5.216 13.488 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.145 -7.182 11.976 1.00 25.00 H new ATOM 1358 N SER A 81 9.045 -3.743 16.391 1.00 25.00 N ATOM 1359 CA SER A 81 8.084 -3.327 17.417 1.00 25.00 C ATOM 1360 C SER A 81 6.766 -2.981 16.739 1.00 25.00 C ATOM 1361 O SER A 81 5.698 -3.444 17.138 1.00 25.00 O ATOM 1362 CB SER A 81 8.614 -2.113 18.185 1.00 25.00 C ATOM 1363 OG SER A 81 7.726 -1.751 19.228 1.00 25.00 O ATOM 0 H SER A 81 9.787 -3.067 16.211 1.00 25.00 H new ATOM 0 HA SER A 81 7.934 -4.140 18.128 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.596 -2.340 18.600 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.742 -1.273 17.503 1.00 25.00 H new ATOM 0 HG SER A 81 8.084 -0.975 19.707 1.00 25.00 H new ATOM 1369 N TYR A 82 6.862 -2.229 15.654 1.00 25.00 N ATOM 1370 CA TYR A 82 5.701 -1.886 14.851 1.00 25.00 C ATOM 1371 C TYR A 82 5.101 -3.142 14.269 1.00 25.00 C ATOM 1372 O TYR A 82 3.897 -3.314 14.263 1.00 25.00 O ATOM 1373 CB TYR A 82 6.105 -0.958 13.713 1.00 25.00 C ATOM 1374 CG TYR A 82 5.975 0.495 14.072 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.965 1.152 14.829 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.847 1.223 13.663 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.833 2.516 15.172 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.711 2.611 13.995 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.716 3.238 14.750 1.00 25.00 C ATOM 1380 OH TYR A 82 5.659 4.560 15.107 1.00 25.00 O ATOM 0 H TYR A 82 7.740 -1.842 15.308 1.00 25.00 H new ATOM 0 HA TYR A 82 4.971 -1.383 15.486 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.137 -1.166 13.429 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.486 -1.169 12.841 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.838 0.605 15.152 1.00 25.00 H new ATOM 0 HD2 TYR A 82 4.073 0.732 13.092 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.597 3.000 15.761 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.846 3.168 13.668 1.00 25.00 H new ATOM 0 HH TYR A 82 5.335 5.090 14.349 1.00 25.00 H new ATOM 1390 N TRP A 83 5.946 -4.040 13.798 1.00 25.00 N ATOM 1391 CA TRP A 83 5.473 -5.277 13.209 1.00 25.00 C ATOM 1392 C TRP A 83 4.678 -6.097 14.223 1.00 25.00 C ATOM 1393 O TRP A 83 3.637 -6.673 13.894 1.00 25.00 O ATOM 1394 CB TRP A 83 6.666 -6.098 12.717 1.00 25.00 C ATOM 1395 CG TRP A 83 6.281 -7.445 12.211 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.776 -7.763 10.994 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.366 -8.694 12.926 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.524 -9.098 10.889 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.871 -9.708 12.058 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.817 -9.059 14.212 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.815 -11.062 12.435 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.772 -10.424 14.593 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.269 -11.412 13.694 1.00 25.00 C ATOM 0 H TRP A 83 6.961 -3.936 13.812 1.00 25.00 H new ATOM 0 HA TRP A 83 4.819 -5.031 12.373 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.174 -5.550 11.923 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.381 -6.213 13.532 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.596 -7.047 10.206 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.138 -9.565 10.069 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.191 -8.311 14.895 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.427 -11.809 11.759 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.121 -10.719 15.572 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.242 -12.447 14.001 1.00 25.00 H new ATOM 1414 N ASN A 84 5.150 -6.118 15.464 1.00 25.00 N ATOM 1415 CA ASN A 84 4.481 -6.852 16.540 1.00 25.00 C ATOM 1416 C ASN A 84 3.096 -6.274 16.840 1.00 25.00 C ATOM 1417 O ASN A 84 2.200 -7.005 17.263 1.00 25.00 O ATOM 1418 CB ASN A 84 5.327 -6.832 17.821 1.00 25.00 C ATOM 1419 CG ASN A 84 6.206 -8.055 17.958 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.741 -9.130 18.309 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.468 -7.903 17.685 1.00 25.00 N ATOM 0 H ASN A 84 5.999 -5.633 15.755 1.00 25.00 H new ATOM 0 HA ASN A 84 4.362 -7.881 16.199 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.951 -5.938 17.826 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.668 -6.765 18.686 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.105 -8.696 17.761 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.821 -6.991 17.395 1.00 25.00 H new ATOM 1428 N LEU A 85 2.915 -4.980 16.595 1.00 25.00 N ATOM 1429 CA LEU A 85 1.637 -4.315 16.841 1.00 25.00 C ATOM 1430 C LEU A 85 0.589 -4.901 15.911 1.00 25.00 C ATOM 1431 O LEU A 85 -0.512 -5.235 16.329 1.00 25.00 O ATOM 1432 CB LEU A 85 1.794 -2.801 16.605 1.00 25.00 C ATOM 1433 CG LEU A 85 0.635 -1.844 16.928 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.205 -0.430 17.057 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.460 -1.832 15.847 1.00 25.00 C ATOM 0 H LEU A 85 3.641 -4.367 16.224 1.00 25.00 H new ATOM 0 HA LEU A 85 1.321 -4.472 17.872 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.656 -2.471 17.184 1.00 25.00 H new ATOM 0 HB3 LEU A 85 2.044 -2.662 15.553 1.00 25.00 H new ATOM 0 HG LEU A 85 0.172 -2.189 17.852 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.399 0.268 17.286 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.944 -0.407 17.858 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.678 -0.142 16.119 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.248 -1.137 16.135 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.029 -1.518 14.896 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.879 -2.833 15.743 1.00 25.00 H new ATOM 1447 N ILE A 86 0.936 -5.048 14.642 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.014 -5.591 13.681 1.00 25.00 C ATOM 1449 C ILE A 86 -0.110 -7.101 13.870 1.00 25.00 C ATOM 1450 O ILE A 86 -1.161 -7.696 13.672 1.00 25.00 O ATOM 1451 CB ILE A 86 0.360 -5.261 12.225 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.500 -3.742 12.050 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.728 -5.770 11.271 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.899 -3.323 11.711 1.00 25.00 C ATOM 0 H ILE A 86 1.849 -4.805 14.258 1.00 25.00 H new ATOM 0 HA ILE A 86 -0.980 -5.123 13.869 1.00 25.00 H new ATOM 0 HB ILE A 86 1.307 -5.748 11.994 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.175 -3.408 11.262 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.189 -3.245 12.969 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.452 -5.531 10.244 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.829 -6.850 11.377 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.677 -5.291 11.513 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.937 -2.239 11.599 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.574 -3.630 12.510 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.204 -3.795 10.777 1.00 25.00 H new ATOM 1466 N LYS A 87 0.976 -7.728 14.298 1.00 25.00 N ATOM 1467 CA LYS A 87 0.957 -9.169 14.523 1.00 25.00 C ATOM 1468 C LYS A 87 -0.095 -9.523 15.562 1.00 25.00 C ATOM 1469 O LYS A 87 -0.898 -10.402 15.322 1.00 25.00 O ATOM 1470 CB LYS A 87 2.357 -9.684 14.912 1.00 25.00 C ATOM 1471 CG LYS A 87 2.407 -10.668 16.089 1.00 25.00 C ATOM 1472 CD LYS A 87 3.821 -11.108 16.362 1.00 25.00 C ATOM 1473 CE LYS A 87 3.911 -11.849 17.690 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.341 -11.982 18.127 1.00 25.00 N ATOM 0 H LYS A 87 1.868 -7.273 14.494 1.00 25.00 H new ATOM 0 HA LYS A 87 0.684 -9.670 13.594 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.800 -10.167 14.041 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.984 -8.826 15.154 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.990 -10.198 16.979 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.788 -11.537 15.868 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.167 -11.754 15.556 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.480 -10.240 16.380 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.341 -11.314 18.450 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.462 -12.837 17.592 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.384 -12.519 19.016 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.883 -12.483 17.394 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.749 -11.036 18.274 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.137 -8.833 16.691 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.099 -9.196 17.729 1.00 25.00 C ATOM 1490 C GLU A 88 -2.518 -8.805 17.314 1.00 25.00 C ATOM 1491 O GLU A 88 -3.492 -9.387 17.777 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.695 -8.590 19.085 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.131 -7.140 19.342 1.00 25.00 C ATOM 1494 CD GLU A 88 -2.564 -7.030 19.870 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -2.968 -7.867 20.710 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -3.280 -6.090 19.461 1.00 25.00 O ATOM 0 H GLU A 88 0.464 -8.039 16.913 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.091 -10.279 17.851 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.108 -9.216 19.876 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.390 -8.641 19.172 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.449 -6.683 20.060 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.046 -6.572 18.416 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.621 -7.850 16.401 1.00 25.00 N ATOM 1504 CA LEU A 89 -3.878 -7.369 15.913 1.00 25.00 C ATOM 1505 C LEU A 89 -4.515 -8.368 14.927 1.00 25.00 C ATOM 1506 O LEU A 89 -5.710 -8.648 15.017 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.591 -6.012 15.280 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.731 -5.374 14.542 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -5.910 -5.050 15.464 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.247 -4.105 13.835 1.00 25.00 C ATOM 0 H LEU A 89 -1.814 -7.389 15.981 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.610 -7.264 16.714 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.265 -5.329 16.065 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -2.756 -6.125 14.589 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.088 -6.092 13.804 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -6.710 -4.590 14.884 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -6.276 -5.968 15.923 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -5.584 -4.361 16.243 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.079 -3.646 13.301 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.858 -3.403 14.573 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -3.459 -4.361 13.127 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.723 -8.942 14.026 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.241 -9.960 13.095 1.00 25.00 C ATOM 1524 C ILE A 90 -4.485 -11.258 13.871 1.00 25.00 C ATOM 1525 O ILE A 90 -5.459 -11.962 13.629 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.246 -10.291 11.922 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.903 -9.045 11.086 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.869 -11.342 10.961 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.707 -9.278 10.109 1.00 25.00 C ATOM 0 H ILE A 90 -2.732 -8.729 13.915 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.154 -9.554 12.660 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.339 -10.676 12.388 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.780 -8.746 10.513 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.663 -8.219 11.756 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.168 -11.559 10.156 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.083 -12.257 11.513 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.794 -10.947 10.540 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.513 -8.364 9.547 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.819 -9.549 10.679 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.954 -10.083 9.417 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.602 -11.559 14.814 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.683 -12.795 15.608 1.00 25.00 C ATOM 1543 C ASP A 91 -5.016 -12.904 16.345 1.00 25.00 C ATOM 1544 O ASP A 91 -5.545 -13.986 16.540 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.531 -12.809 16.620 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.336 -14.154 17.279 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.959 -15.118 16.568 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.370 -14.201 18.529 1.00 25.00 O ATOM 0 H ASP A 91 -2.811 -10.962 15.055 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.608 -13.647 14.932 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.609 -12.522 16.115 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.721 -12.059 17.388 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.576 -11.760 16.718 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.837 -11.716 17.460 1.00 25.00 C ATOM 1555 C LYS A 92 -8.005 -11.215 16.623 1.00 25.00 C ATOM 1556 O LYS A 92 -9.005 -10.749 17.170 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.658 -10.849 18.680 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.572 -11.390 19.554 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.641 -10.747 20.877 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.453 -11.146 21.736 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.178 -10.655 21.117 1.00 25.00 N ATOM 0 H LYS A 92 -5.176 -10.843 16.519 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.085 -12.737 17.749 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.415 -9.831 18.377 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.592 -10.801 19.239 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.677 -12.470 19.657 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.599 -11.206 19.099 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.662 -9.664 20.759 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.568 -11.031 21.376 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.563 -10.730 22.738 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -4.420 -12.230 21.843 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -2.404 -10.735 21.807 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -2.955 -11.229 20.279 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.289 -9.660 20.836 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.895 -11.293 15.302 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.959 -10.780 14.420 1.00 25.00 C ATOM 1577 C LYS A 93 -10.277 -11.520 14.616 1.00 25.00 C ATOM 1578 O LYS A 93 -11.338 -10.975 14.353 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.526 -10.823 12.945 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.398 -12.223 12.332 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.780 -12.128 10.936 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.462 -13.501 10.342 1.00 25.00 C ATOM 1583 NZ LYS A 93 -8.702 -14.284 10.030 1.00 25.00 N ATOM 0 H LYS A 93 -7.096 -11.699 14.815 1.00 25.00 H new ATOM 0 HA LYS A 93 -9.126 -9.740 14.700 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.245 -10.253 12.357 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.566 -10.316 12.852 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.779 -12.853 12.971 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.379 -12.694 12.273 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.466 -11.599 10.274 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.866 -11.537 10.986 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.876 -13.374 9.432 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.845 -14.064 11.043 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -8.438 -15.207 9.630 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.250 -14.429 10.902 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.279 -13.760 9.341 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.204 -12.738 15.128 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.393 -13.550 15.398 1.00 25.00 C ATOM 1599 C GLU A 94 -12.318 -12.927 16.453 1.00 25.00 C ATOM 1600 O GLU A 94 -13.530 -13.073 16.372 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.960 -14.951 15.851 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.857 -14.958 16.920 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.556 -16.356 17.423 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.334 -17.258 16.587 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.532 -16.549 18.657 1.00 25.00 O ATOM 0 H GLU A 94 -9.325 -13.196 15.370 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.964 -13.605 14.471 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.830 -15.479 16.241 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.611 -15.509 14.982 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.949 -14.519 16.506 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.161 -14.330 17.757 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.751 -12.202 17.409 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.540 -11.557 18.468 1.00 25.00 C ATOM 1614 C VAL A 95 -12.523 -10.042 18.281 1.00 25.00 C ATOM 1615 O VAL A 95 -12.994 -9.283 19.122 1.00 25.00 O ATOM 1616 CB VAL A 95 -12.020 -11.945 19.889 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.228 -13.447 20.138 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.530 -11.593 20.060 1.00 25.00 C ATOM 0 H VAL A 95 -10.746 -12.042 17.479 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.567 -11.913 18.390 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.592 -11.371 20.619 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.862 -13.705 21.132 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.290 -13.683 20.070 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.680 -14.019 19.389 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.202 -11.876 21.060 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.941 -12.133 19.318 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.391 -10.521 19.923 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.999 -9.608 17.144 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.959 -8.190 16.790 1.00 25.00 C ATOM 1630 C ASN A 96 -12.629 -8.000 15.429 1.00 25.00 C ATOM 1631 O ASN A 96 -11.951 -7.843 14.413 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.511 -7.681 16.737 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.967 -7.334 18.094 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.119 -6.214 18.557 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.311 -8.264 18.721 1.00 25.00 N ATOM 0 H ASN A 96 -11.590 -10.223 16.441 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.490 -7.617 17.550 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.879 -8.443 16.281 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.463 -6.801 16.095 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.900 -8.071 19.635 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -9.207 -9.187 18.300 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.974 -7.954 15.387 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.596 -7.765 14.069 1.00 25.00 C ATOM 1644 C PRO A 97 -14.288 -6.403 13.444 1.00 25.00 C ATOM 1645 O PRO A 97 -14.397 -6.228 12.233 1.00 25.00 O ATOM 1646 CB PRO A 97 -16.090 -7.925 14.370 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.225 -7.509 15.791 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.991 -8.068 16.450 1.00 25.00 C ATOM 0 HA PRO A 97 -14.219 -8.473 13.331 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.697 -7.301 13.714 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.417 -8.954 14.224 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -16.273 -6.424 15.887 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -17.134 -7.909 16.240 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.714 -7.500 17.338 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.133 -9.102 16.765 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.835 -5.462 14.266 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.473 -4.131 13.799 1.00 25.00 C ATOM 1658 C GLN A 98 -12.308 -4.246 12.831 1.00 25.00 C ATOM 1659 O GLN A 98 -12.282 -3.596 11.786 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.066 -3.255 14.993 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.034 -1.762 14.697 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.415 -1.193 14.441 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.755 -0.859 13.329 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.208 -1.078 15.476 1.00 25.00 N ATOM 0 H GLN A 98 -13.709 -5.600 15.269 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.326 -3.674 13.297 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.761 -3.435 15.814 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.079 -3.566 15.336 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.578 -1.238 15.537 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.402 -1.580 13.827 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.887 -1.370 16.399 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.147 -0.696 15.359 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.334 -5.077 13.178 1.00 25.00 N ATOM 1674 CA VAL A 99 -10.192 -5.256 12.304 1.00 25.00 C ATOM 1675 C VAL A 99 -10.472 -6.291 11.236 1.00 25.00 C ATOM 1676 O VAL A 99 -9.921 -6.211 10.172 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.879 -5.607 13.060 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.800 -7.098 13.414 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.677 -5.215 12.198 1.00 25.00 C ATOM 0 H VAL A 99 -11.313 -5.624 14.038 1.00 25.00 H new ATOM 0 HA VAL A 99 -10.033 -4.287 11.831 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.871 -5.047 13.995 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.867 -7.298 13.941 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.642 -7.365 14.053 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.835 -7.691 12.500 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.755 -5.460 12.726 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.712 -5.761 11.255 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.707 -4.144 11.998 1.00 25.00 H new ATOM 1689 N MET A 100 -11.333 -7.262 11.496 1.00 25.00 N ATOM 1690 CA MET A 100 -11.584 -8.312 10.510 1.00 25.00 C ATOM 1691 C MET A 100 -12.150 -7.712 9.218 1.00 25.00 C ATOM 1692 O MET A 100 -11.772 -8.109 8.121 1.00 25.00 O ATOM 1693 CB MET A 100 -12.545 -9.343 11.086 1.00 25.00 C ATOM 1694 CG MET A 100 -12.056 -10.792 11.002 1.00 25.00 C ATOM 1695 SD MET A 100 -11.451 -11.299 9.369 1.00 25.00 S ATOM 1696 CE MET A 100 -12.972 -11.274 8.366 1.00 25.00 C ATOM 0 H MET A 100 -11.863 -7.349 12.363 1.00 25.00 H new ATOM 0 HA MET A 100 -10.641 -8.804 10.271 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.735 -9.098 12.131 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.497 -9.264 10.562 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.257 -10.933 11.730 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.872 -11.453 11.293 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.738 -11.566 7.342 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.696 -11.972 8.786 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.393 -10.269 8.369 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.989 -6.693 9.346 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.494 -5.982 8.174 1.00 25.00 C ATOM 1708 C ALA A 101 -12.350 -5.246 7.446 1.00 25.00 C ATOM 1709 O ALA A 101 -12.374 -5.081 6.233 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.578 -4.991 8.603 1.00 25.00 C ATOM 0 H ALA A 101 -13.333 -6.341 10.239 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.924 -6.706 7.481 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.954 -4.461 7.728 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.396 -5.531 9.080 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -14.157 -4.274 9.308 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.346 -4.819 8.198 1.00 25.00 N ATOM 1717 CA ALA A 102 -10.199 -4.112 7.644 1.00 25.00 C ATOM 1718 C ALA A 102 -9.250 -5.111 6.970 1.00 25.00 C ATOM 1719 O ALA A 102 -8.588 -4.782 5.995 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.471 -3.347 8.769 1.00 25.00 C ATOM 0 H ALA A 102 -11.303 -4.952 9.208 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.538 -3.396 6.895 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.613 -2.818 8.353 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -10.155 -2.629 9.222 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -9.130 -4.052 9.527 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.205 -6.333 7.488 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.381 -7.394 6.908 1.00 25.00 C ATOM 1728 C VAL A 103 -8.928 -7.685 5.526 1.00 25.00 C ATOM 1729 O VAL A 103 -8.185 -7.676 4.551 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.425 -8.703 7.773 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.731 -9.865 7.065 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.756 -8.469 9.136 1.00 25.00 C ATOM 0 H VAL A 103 -9.732 -6.617 8.314 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.342 -7.066 6.870 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.474 -8.961 7.919 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.780 -10.755 7.692 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.229 -10.062 6.116 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.688 -9.608 6.881 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.795 -9.387 9.723 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.716 -8.179 8.986 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.281 -7.675 9.668 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.238 -7.883 5.444 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.892 -8.167 4.174 1.00 25.00 C ATOM 1744 C ALA A 104 -10.693 -7.005 3.198 1.00 25.00 C ATOM 1745 O ALA A 104 -10.378 -7.213 2.036 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.382 -8.427 4.410 1.00 25.00 C ATOM 0 H ALA A 104 -10.869 -7.852 6.245 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.444 -9.058 3.733 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.869 -8.639 3.458 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.501 -9.281 5.077 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.838 -7.546 4.863 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.825 -5.781 3.686 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.609 -4.616 2.837 1.00 25.00 C ATOM 1754 C GLN A 105 -9.185 -4.551 2.321 1.00 25.00 C ATOM 1755 O GLN A 105 -8.957 -4.188 1.175 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.904 -3.329 3.594 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.351 -2.931 3.528 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.546 -1.492 3.890 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.064 -0.607 3.203 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.237 -1.241 4.969 1.00 25.00 N ATOM 0 H GLN A 105 -11.077 -5.568 4.651 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.291 -4.718 1.993 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.613 -3.452 4.637 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.292 -2.525 3.186 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.732 -3.108 2.522 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.932 -3.558 4.204 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.624 -2.009 5.517 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.390 -0.277 5.264 1.00 25.00 H new ATOM 1769 N THR A 106 -8.211 -4.889 3.150 1.00 25.00 N ATOM 1770 CA THR A 106 -6.835 -4.820 2.697 1.00 25.00 C ATOM 1771 C THR A 106 -6.603 -5.919 1.673 1.00 25.00 C ATOM 1772 O THR A 106 -5.932 -5.687 0.689 1.00 25.00 O ATOM 1773 CB THR A 106 -5.825 -4.924 3.843 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.180 -4.009 4.874 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.428 -4.549 3.364 1.00 25.00 C ATOM 0 H THR A 106 -8.341 -5.205 4.111 1.00 25.00 H new ATOM 0 HA THR A 106 -6.676 -3.841 2.245 1.00 25.00 H new ATOM 0 HB THR A 106 -5.833 -5.952 4.207 1.00 25.00 H new ATOM 0 HG1 THR A 106 -7.009 -4.306 5.304 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.725 -4.629 4.193 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.124 -5.224 2.564 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.434 -3.525 2.991 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.216 -7.084 1.854 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.127 -8.157 0.853 1.00 25.00 C ATOM 1785 C GLU A 107 -7.679 -7.708 -0.507 1.00 25.00 C ATOM 1786 O GLU A 107 -7.084 -8.018 -1.534 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.861 -9.419 1.326 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.138 -10.148 2.452 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.878 -11.392 2.936 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -9.122 -11.406 2.942 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.189 -12.354 3.353 1.00 25.00 O ATOM 0 H GLU A 107 -7.776 -7.314 2.674 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.070 -8.392 0.732 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.861 -9.145 1.662 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.983 -10.098 0.482 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.143 -10.435 2.111 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.003 -9.465 3.290 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.760 -6.932 -0.527 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.291 -6.393 -1.793 1.00 25.00 C ATOM 1800 C GLU A 108 -8.232 -5.510 -2.456 1.00 25.00 C ATOM 1801 O GLU A 108 -7.990 -5.577 -3.664 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.532 -5.516 -1.554 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.765 -6.236 -1.030 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.882 -5.250 -0.685 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.348 -4.528 -1.597 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.271 -5.169 0.502 1.00 25.00 O ATOM 0 H GLU A 108 -9.286 -6.660 0.304 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.557 -7.242 -2.423 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.266 -4.730 -0.847 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -10.793 -5.026 -2.492 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.121 -6.944 -1.779 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.502 -6.814 -0.144 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.600 -4.677 -1.647 1.00 25.00 N ATOM 1814 CA ILE A 109 -6.592 -3.731 -2.124 1.00 25.00 C ATOM 1815 C ILE A 109 -5.333 -4.497 -2.570 1.00 25.00 C ATOM 1816 O ILE A 109 -4.679 -4.113 -3.540 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.280 -2.672 -1.013 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.567 -1.871 -0.684 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.167 -1.697 -1.463 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.591 -1.242 0.720 1.00 25.00 C ATOM 0 H ILE A 109 -7.767 -4.633 -0.642 1.00 25.00 H new ATOM 0 HA ILE A 109 -6.972 -3.188 -2.989 1.00 25.00 H new ATOM 0 HB ILE A 109 -5.932 -3.202 -0.126 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -7.685 -1.079 -1.424 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.427 -2.533 -0.785 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -4.974 -0.974 -0.670 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.256 -2.257 -1.674 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -5.486 -1.171 -2.363 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.527 -0.702 0.861 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.508 -2.027 1.472 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.755 -0.551 0.823 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.039 -5.624 -1.934 1.00 25.00 N ATOM 1833 CA LEU A 110 -3.911 -6.464 -2.357 1.00 25.00 C ATOM 1834 C LEU A 110 -4.150 -7.001 -3.763 1.00 25.00 C ATOM 1835 O LEU A 110 -3.222 -7.071 -4.560 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.682 -7.668 -1.426 1.00 25.00 C ATOM 1837 CG LEU A 110 -3.276 -7.477 0.044 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.692 -8.797 0.562 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.285 -6.342 0.258 1.00 25.00 C ATOM 0 H LEU A 110 -5.556 -5.980 -1.130 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.029 -5.824 -2.323 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.603 -8.250 -1.428 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.913 -8.286 -1.890 1.00 25.00 H new ATOM 0 HG LEU A 110 -4.171 -7.198 0.601 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.398 -8.680 1.605 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.443 -9.583 0.482 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -1.820 -9.067 -0.033 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -2.043 -6.265 1.318 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -1.375 -6.542 -0.308 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.726 -5.405 -0.083 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.390 -7.347 -4.091 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.700 -7.846 -5.441 1.00 25.00 C ATOM 1853 C LYS A 111 -5.523 -6.739 -6.473 1.00 25.00 C ATOM 1854 O LYS A 111 -5.232 -7.012 -7.624 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.134 -8.388 -5.534 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.462 -9.549 -4.592 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.610 -10.791 -4.839 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.057 -11.911 -3.910 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.197 -13.124 -4.051 1.00 25.00 N ATOM 0 H LYS A 111 -6.189 -7.296 -3.459 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.006 -8.661 -5.646 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.826 -7.571 -5.331 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.316 -8.712 -6.559 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.323 -9.221 -3.562 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.514 -9.811 -4.704 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.704 -11.108 -5.878 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.558 -10.562 -4.669 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.026 -11.561 -2.878 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -8.093 -12.172 -4.127 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.296 -13.720 -3.205 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -6.492 -13.663 -4.890 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -5.204 -12.835 -4.156 1.00 25.00 H new ATOM 1873 N SER A 112 -5.671 -5.494 -6.048 1.00 25.00 N ATOM 1874 CA SER A 112 -5.469 -4.347 -6.938 1.00 25.00 C ATOM 1875 C SER A 112 -3.981 -4.036 -7.106 1.00 25.00 C ATOM 1876 O SER A 112 -3.579 -3.393 -8.071 1.00 25.00 O ATOM 1877 CB SER A 112 -6.176 -3.114 -6.375 1.00 25.00 C ATOM 1878 OG SER A 112 -6.167 -2.053 -7.316 1.00 25.00 O ATOM 0 H SER A 112 -5.930 -5.246 -5.093 1.00 25.00 H new ATOM 0 HA SER A 112 -5.888 -4.603 -7.911 1.00 25.00 H new ATOM 0 HB2 SER A 112 -7.204 -3.366 -6.115 1.00 25.00 H new ATOM 0 HB3 SER A 112 -5.684 -2.795 -5.456 1.00 25.00 H new ATOM 0 HG SER A 112 -6.626 -1.275 -6.936 1.00 25.00 H new ATOM 1884 N ASN A 113 -3.173 -4.476 -6.151 1.00 25.00 N ATOM 1885 CA ASN A 113 -1.720 -4.269 -6.199 1.00 25.00 C ATOM 1886 C ASN A 113 -1.043 -5.392 -6.983 1.00 25.00 C ATOM 1887 O ASN A 113 -0.028 -5.180 -7.644 1.00 25.00 O ATOM 1888 CB ASN A 113 -1.138 -4.243 -4.776 1.00 25.00 C ATOM 1889 CG ASN A 113 -0.968 -2.843 -4.235 1.00 25.00 C ATOM 1890 OD1 ASN A 113 0.053 -2.528 -3.638 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -1.951 -2.011 -4.428 1.00 25.00 N ATOM 0 H ASN A 113 -3.495 -4.982 -5.326 1.00 25.00 H new ATOM 0 HA ASN A 113 -1.534 -3.315 -6.693 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -1.792 -4.807 -4.111 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -0.172 -4.747 -4.775 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.887 -1.056 -4.076 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.785 -2.315 -4.931 1.00 25.00 H new ATOM 1898 N SER A 114 -1.589 -6.594 -6.884 1.00 25.00 N ATOM 1899 CA SER A 114 -1.043 -7.752 -7.568 1.00 25.00 C ATOM 1900 C SER A 114 -1.374 -7.644 -9.046 1.00 25.00 C ATOM 1901 O SER A 114 -2.510 -7.389 -9.425 1.00 25.00 O ATOM 1902 CB SER A 114 -1.630 -9.034 -6.989 1.00 25.00 C ATOM 1903 OG SER A 114 -0.993 -10.168 -7.550 1.00 25.00 O ATOM 0 H SER A 114 -2.421 -6.792 -6.328 1.00 25.00 H new ATOM 0 HA SER A 114 0.038 -7.783 -7.433 1.00 25.00 H new ATOM 0 HB2 SER A 114 -1.509 -9.040 -5.906 1.00 25.00 H new ATOM 0 HB3 SER A 114 -2.701 -9.074 -7.190 1.00 25.00 H new ATOM 0 HG SER A 114 -1.475 -10.449 -8.356 1.00 25.00 H new ATOM 1909 N GLN A 115 -0.358 -7.797 -9.875 1.00 25.00 N ATOM 1910 CA GLN A 115 -0.496 -7.581 -11.317 1.00 25.00 C ATOM 1911 C GLN A 115 -0.058 -8.771 -12.174 1.00 25.00 C ATOM 1912 O GLN A 115 -0.016 -8.679 -13.396 1.00 25.00 O ATOM 1913 CB GLN A 115 0.318 -6.342 -11.700 1.00 25.00 C ATOM 1914 CG GLN A 115 -0.461 -5.341 -12.533 1.00 25.00 C ATOM 1915 CD GLN A 115 0.334 -4.085 -12.801 1.00 25.00 C ATOM 1916 OE1 GLN A 115 1.049 -3.985 -13.783 1.00 25.00 O ATOM 1917 NE2 GLN A 115 0.214 -3.119 -11.926 1.00 25.00 N ATOM 0 H GLN A 115 0.579 -8.071 -9.580 1.00 25.00 H new ATOM 0 HA GLN A 115 -1.558 -7.446 -11.520 1.00 25.00 H new ATOM 0 HB2 GLN A 115 0.669 -5.852 -10.792 1.00 25.00 H new ATOM 0 HB3 GLN A 115 1.202 -6.655 -12.255 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -0.743 -5.800 -13.480 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -1.385 -5.081 -12.017 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -0.394 -3.238 -11.116 1.00 25.00 H new ATOM 0 HE22 GLN A 115 0.728 -2.248 -12.055 1.00 25.00 H new ATOM 1926 N THR A 116 0.278 -9.884 -11.538 1.00 25.00 N ATOM 1927 CA THR A 116 0.825 -11.060 -12.230 1.00 25.00 C ATOM 1928 C THR A 116 -0.179 -11.943 -13.002 1.00 25.00 C ATOM 1929 O THR A 116 -0.099 -13.169 -12.989 1.00 25.00 O ATOM 1930 CB THR A 116 1.564 -11.924 -11.216 1.00 25.00 C ATOM 1931 OG1 THR A 116 1.867 -11.128 -10.064 1.00 25.00 O ATOM 1932 CG2 THR A 116 2.834 -12.406 -11.821 1.00 25.00 C ATOM 0 H THR A 116 0.182 -10.005 -10.530 1.00 25.00 H new ATOM 0 HA THR A 116 1.476 -10.649 -13.001 1.00 25.00 H new ATOM 0 HB THR A 116 0.946 -12.775 -10.930 1.00 25.00 H new ATOM 0 HG1 THR A 116 2.455 -11.632 -9.464 1.00 25.00 H new ATOM 0 HG21 THR A 116 3.368 -13.025 -11.100 1.00 25.00 H new ATOM 0 HG22 THR A 116 2.613 -12.994 -12.711 1.00 25.00 H new ATOM 0 HG23 THR A 116 3.453 -11.552 -12.095 1.00 25.00 H new ATOM 1940 N ASP A 117 -1.135 -11.276 -13.630 1.00 25.00 N ATOM 1941 CA ASP A 117 -2.280 -11.869 -14.382 1.00 25.00 C ATOM 1942 C ASP A 117 -3.110 -12.900 -13.589 1.00 25.00 C ATOM 1943 O ASP A 117 -4.016 -13.557 -14.124 1.00 25.00 O ATOM 1944 CB ASP A 117 -1.811 -12.496 -15.709 1.00 25.00 C ATOM 1945 CG ASP A 117 -2.970 -12.719 -16.700 1.00 25.00 C ATOM 1946 OD1 ASP A 117 -3.845 -11.826 -16.824 1.00 25.00 O ATOM 1947 OD2 ASP A 117 -2.997 -13.782 -17.370 1.00 25.00 O ATOM 0 H ASP A 117 -1.154 -10.256 -13.642 1.00 25.00 H new ATOM 0 HA ASP A 117 -2.943 -11.026 -14.577 1.00 25.00 H new ATOM 0 HB2 ASP A 117 -1.064 -11.849 -16.169 1.00 25.00 H new ATOM 0 HB3 ASP A 117 -1.324 -13.449 -15.504 1.00 25.00 H new ATOM 1952 N LEU A 118 -2.820 -13.041 -12.306 1.00 25.00 N ATOM 1953 CA LEU A 118 -3.513 -14.011 -11.482 1.00 25.00 C ATOM 1954 C LEU A 118 -4.961 -13.595 -11.340 1.00 25.00 C ATOM 1955 O LEU A 118 -5.281 -12.413 -11.319 1.00 25.00 O ATOM 1956 CB LEU A 118 -2.814 -14.200 -10.123 1.00 25.00 C ATOM 1957 CG LEU A 118 -2.456 -13.003 -9.214 1.00 25.00 C ATOM 1958 CD1 LEU A 118 -3.655 -12.391 -8.482 1.00 25.00 C ATOM 1959 CD2 LEU A 118 -1.447 -13.516 -8.179 1.00 25.00 C ATOM 0 H LEU A 118 -2.111 -12.496 -11.816 1.00 25.00 H new ATOM 0 HA LEU A 118 -3.484 -14.987 -11.966 1.00 25.00 H new ATOM 0 HB2 LEU A 118 -3.446 -14.864 -9.534 1.00 25.00 H new ATOM 0 HB3 LEU A 118 -1.885 -14.735 -10.319 1.00 25.00 H new ATOM 0 HG LEU A 118 -2.057 -12.209 -9.845 1.00 25.00 H new ATOM 0 HD11 LEU A 118 -3.318 -11.557 -7.866 1.00 25.00 H new ATOM 0 HD12 LEU A 118 -4.382 -12.033 -9.211 1.00 25.00 H new ATOM 0 HD13 LEU A 118 -4.119 -13.147 -7.848 1.00 25.00 H new ATOM 0 HD21 LEU A 118 -1.164 -12.702 -7.512 1.00 25.00 H new ATOM 0 HD22 LEU A 118 -1.899 -14.320 -7.598 1.00 25.00 H new ATOM 0 HD23 LEU A 118 -0.560 -13.891 -8.690 1.00 25.00 H new ATOM 1971 N GLU A 119 -5.829 -14.599 -11.328 1.00 25.00 N ATOM 1972 CA GLU A 119 -7.291 -14.444 -11.203 1.00 25.00 C ATOM 1973 C GLU A 119 -7.992 -13.701 -12.357 1.00 25.00 C ATOM 1974 O GLU A 119 -9.177 -13.922 -12.592 1.00 25.00 O ATOM 1975 CB GLU A 119 -7.645 -13.846 -9.835 1.00 25.00 C ATOM 1976 CG GLU A 119 -7.265 -14.796 -8.698 1.00 25.00 C ATOM 1977 CD GLU A 119 -7.315 -14.152 -7.331 1.00 25.00 C ATOM 1978 OE1 GLU A 119 -8.380 -13.657 -6.926 1.00 25.00 O ATOM 1979 OE2 GLU A 119 -6.293 -14.226 -6.620 1.00 25.00 O ATOM 0 H GLU A 119 -5.538 -15.573 -11.406 1.00 25.00 H new ATOM 0 HA GLU A 119 -7.693 -15.454 -11.279 1.00 25.00 H new ATOM 0 HB2 GLU A 119 -7.127 -12.896 -9.706 1.00 25.00 H new ATOM 0 HB3 GLU A 119 -8.714 -13.635 -9.794 1.00 25.00 H new ATOM 0 HG2 GLU A 119 -7.938 -15.653 -8.712 1.00 25.00 H new ATOM 0 HG3 GLU A 119 -6.259 -15.177 -8.875 1.00 25.00 H new ATOM 1986 N HIS A 120 -7.238 -12.950 -13.153 1.00 25.00 N ATOM 1987 CA HIS A 120 -7.750 -12.275 -14.349 1.00 25.00 C ATOM 1988 C HIS A 120 -8.216 -13.300 -15.388 1.00 25.00 C ATOM 1989 O HIS A 120 -9.019 -13.004 -16.274 1.00 25.00 O ATOM 1990 CB HIS A 120 -6.638 -11.391 -14.924 1.00 25.00 C ATOM 1991 CG HIS A 120 -7.095 -10.460 -16.002 1.00 25.00 C ATOM 1992 ND1 HIS A 120 -7.916 -9.354 -15.773 1.00 25.00 N ATOM 1993 CD2 HIS A 120 -6.840 -10.431 -17.335 1.00 25.00 C ATOM 1994 CE1 HIS A 120 -8.125 -8.730 -16.926 1.00 25.00 C ATOM 1995 NE2 HIS A 120 -7.489 -9.365 -17.877 1.00 25.00 N ATOM 0 H HIS A 120 -6.244 -12.789 -12.988 1.00 25.00 H new ATOM 0 HA HIS A 120 -8.609 -11.659 -14.084 1.00 25.00 H new ATOM 0 HB2 HIS A 120 -6.199 -10.806 -14.116 1.00 25.00 H new ATOM 0 HB3 HIS A 120 -5.849 -12.030 -15.321 1.00 25.00 H new ATOM 0 HD2 HIS A 120 -6.225 -11.136 -17.875 1.00 25.00 H new ATOM 0 HE1 HIS A 120 -8.724 -7.841 -17.058 1.00 25.00 H new ATOM 0 HE2 HIS A 120 -7.481 -9.104 -18.863 1.00 25.00 H new ATOM 2003 N HIS A 121 -7.766 -14.533 -15.215 1.00 25.00 N ATOM 2004 CA HIS A 121 -8.249 -15.670 -15.989 1.00 25.00 C ATOM 2005 C HIS A 121 -8.108 -16.869 -15.056 1.00 25.00 C ATOM 2006 O HIS A 121 -7.453 -16.757 -14.021 1.00 25.00 O ATOM 2007 CB HIS A 121 -7.412 -15.836 -17.265 1.00 25.00 C ATOM 2008 CG HIS A 121 -8.192 -16.349 -18.440 1.00 25.00 C ATOM 2009 ND1 HIS A 121 -7.593 -16.836 -19.605 1.00 25.00 N ATOM 2010 CD2 HIS A 121 -9.530 -16.436 -18.678 1.00 25.00 C ATOM 2011 CE1 HIS A 121 -8.547 -17.190 -20.460 1.00 25.00 C ATOM 2012 NE2 HIS A 121 -9.716 -16.961 -19.920 1.00 25.00 N ATOM 0 H HIS A 121 -7.051 -14.776 -14.530 1.00 25.00 H new ATOM 0 HA HIS A 121 -9.280 -15.549 -16.320 1.00 25.00 H new ATOM 0 HB2 HIS A 121 -6.971 -14.874 -17.526 1.00 25.00 H new ATOM 0 HB3 HIS A 121 -6.588 -16.520 -17.061 1.00 25.00 H new ATOM 0 HD2 HIS A 121 -10.312 -16.138 -17.996 1.00 25.00 H new ATOM 0 HE1 HIS A 121 -8.383 -17.602 -21.445 1.00 25.00 H new ATOM 0 HE2 HIS A 121 -10.619 -17.145 -20.358 1.00 25.00 H new ATOM 2020 N HIS A 122 -8.722 -17.999 -15.385 1.00 25.00 N ATOM 2021 CA HIS A 122 -8.625 -19.206 -14.548 1.00 25.00 C ATOM 2022 C HIS A 122 -8.804 -20.446 -15.411 1.00 25.00 C ATOM 2023 O HIS A 122 -9.454 -20.391 -16.452 1.00 25.00 O ATOM 2024 CB HIS A 122 -9.702 -19.191 -13.448 1.00 25.00 C ATOM 2025 CG HIS A 122 -9.148 -19.033 -12.064 1.00 25.00 C ATOM 2026 ND1 HIS A 122 -8.574 -17.849 -11.597 1.00 25.00 N ATOM 2027 CD2 HIS A 122 -9.072 -19.890 -11.007 1.00 25.00 C ATOM 2028 CE1 HIS A 122 -8.191 -18.024 -10.336 1.00 25.00 C ATOM 2029 NE2 HIS A 122 -8.482 -19.241 -9.965 1.00 25.00 N ATOM 0 H HIS A 122 -9.293 -18.113 -16.222 1.00 25.00 H new ATOM 0 HA HIS A 122 -7.641 -19.222 -14.079 1.00 25.00 H new ATOM 0 HB2 HIS A 122 -10.399 -18.377 -13.646 1.00 25.00 H new ATOM 0 HB3 HIS A 122 -10.272 -20.118 -13.498 1.00 25.00 H new ATOM 0 HD2 HIS A 122 -9.421 -20.912 -10.997 1.00 25.00 H new ATOM 0 HE1 HIS A 122 -7.715 -17.278 -9.717 1.00 25.00 H new ATOM 0 HE2 HIS A 122 -8.298 -19.641 -9.045 1.00 25.00 H new ATOM 2037 N HIS A 123 -8.240 -21.563 -14.969 1.00 25.00 N ATOM 2038 CA HIS A 123 -8.363 -22.846 -15.664 1.00 25.00 C ATOM 2039 C HIS A 123 -8.135 -23.917 -14.603 1.00 25.00 C ATOM 2040 O HIS A 123 -7.432 -23.660 -13.634 1.00 25.00 O ATOM 2041 CB HIS A 123 -7.299 -22.950 -16.772 1.00 25.00 C ATOM 2042 CG HIS A 123 -7.538 -24.070 -17.742 1.00 25.00 C ATOM 2043 ND1 HIS A 123 -8.438 -23.991 -18.811 1.00 25.00 N ATOM 2044 CD2 HIS A 123 -6.987 -25.309 -17.849 1.00 25.00 C ATOM 2045 CE1 HIS A 123 -8.401 -25.137 -19.486 1.00 25.00 C ATOM 2046 NE2 HIS A 123 -7.538 -25.939 -18.921 1.00 25.00 N ATOM 0 H HIS A 123 -7.682 -21.609 -14.116 1.00 25.00 H new ATOM 0 HA HIS A 123 -9.338 -22.958 -16.139 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -7.266 -22.008 -17.320 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -6.321 -23.084 -16.311 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -6.237 -25.724 -17.192 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -8.990 -25.368 -20.361 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -7.314 -26.884 -19.233 1.00 25.00 H new ATOM 2054 N HIS A 124 -8.726 -25.092 -14.770 1.00 25.00 N ATOM 2055 CA HIS A 124 -8.477 -26.207 -13.849 1.00 25.00 C ATOM 2056 C HIS A 124 -7.061 -26.718 -14.092 1.00 25.00 C ATOM 2057 O HIS A 124 -6.535 -26.574 -15.191 1.00 25.00 O ATOM 2058 CB HIS A 124 -9.460 -27.360 -14.112 1.00 25.00 C ATOM 2059 CG HIS A 124 -10.656 -27.357 -13.209 1.00 25.00 C ATOM 2060 ND1 HIS A 124 -10.678 -27.986 -11.957 1.00 25.00 N ATOM 2061 CD2 HIS A 124 -11.903 -26.830 -13.351 1.00 25.00 C ATOM 2062 CE1 HIS A 124 -11.881 -27.819 -11.417 1.00 25.00 C ATOM 2063 NE2 HIS A 124 -12.628 -27.128 -12.237 1.00 25.00 N ATOM 0 H HIS A 124 -9.377 -25.303 -15.526 1.00 25.00 H new ATOM 0 HA HIS A 124 -8.605 -25.859 -12.824 1.00 25.00 H new ATOM 0 HB2 HIS A 124 -9.798 -27.307 -15.147 1.00 25.00 H new ATOM 0 HB3 HIS A 124 -8.933 -28.307 -13.997 1.00 25.00 H new ATOM 0 HD2 HIS A 124 -12.258 -26.270 -14.203 1.00 25.00 H new ATOM 0 HE1 HIS A 124 -12.192 -28.195 -10.453 1.00 25.00 H new ATOM 0 HE2 HIS A 124 -13.597 -26.856 -12.070 1.00 25.00 H new ATOM 2071 N HIS A 125 -6.509 -27.400 -13.105 1.00 25.00 N ATOM 2072 CA HIS A 125 -5.303 -28.193 -13.270 1.00 25.00 C ATOM 2073 C HIS A 125 -5.642 -29.379 -12.394 1.00 25.00 C ATOM 2074 O HIS A 125 -6.701 -29.243 -11.726 1.00 25.00 O ATOM 2075 CB HIS A 125 -4.022 -27.462 -12.809 1.00 25.00 C ATOM 2076 CG HIS A 125 -3.841 -27.400 -11.320 1.00 25.00 C ATOM 2077 ND1 HIS A 125 -3.616 -28.527 -10.524 1.00 25.00 N ATOM 2078 CD2 HIS A 125 -3.817 -26.356 -10.448 1.00 25.00 C ATOM 2079 CE1 HIS A 125 -3.472 -28.144 -9.263 1.00 25.00 C ATOM 2080 NE2 HIS A 125 -3.587 -26.844 -9.196 1.00 25.00 N ATOM 2081 OXT HIS A 125 -4.862 -30.338 -12.292 1.00 25.00 O ATOM 0 H HIS A 125 -6.888 -27.420 -12.158 1.00 25.00 H new ATOM 0 HA HIS A 125 -5.068 -28.439 -14.306 1.00 25.00 H new ATOM 0 HB2 HIS A 125 -3.157 -27.961 -13.247 1.00 25.00 H new ATOM 0 HB3 HIS A 125 -4.037 -26.446 -13.203 1.00 25.00 H new ATOM 0 HD1 HIS A 125 -3.570 -29.489 -10.859 1.00 25.00 H new ATOM 0 HD2 HIS A 125 -3.957 -25.316 -10.704 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -3.289 -28.801 -8.426 1.00 25.00 H new TER 2089 HIS A 125