USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 50:sc= 0.53 USER MOD Set 1.2: A 106 THR OG1 : rot 89:sc= 1.74 USER MOD Set 2.1: A 21 THR OG1 : rot -21:sc= 1.08 USER MOD Set 2.2: A 96 ASN : amide:sc= 1.25 K(o=3.8,f=-5.2) USER MOD Set 2.3: A 98 GLN : amide:sc= 1.49 K(o=3.8,f=-5.1!) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.4 K(o=2.4,f=-2) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 175:sc= 1.04 (180deg=0) USER MOD Set 4.1: A 66 TYR OH : rot 165:sc= 0.775 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 170:sc= 1.36 (180deg=0.276) USER MOD Set 5.1: A 47 GLN : amide:sc= 0.601 K(o=1.2,f=-2.2!) USER MOD Set 5.2: A 115 GLN : amide:sc= 0.55 K(o=1.2,f=-2.2) USER MOD Set 6.1: A 42 CYS SG : rot -38:sc= 0.219 USER MOD Set 6.2: A 62 CYS SG : rot -137:sc= 0.784 USER MOD Set 7.1: A 39 LYS NZ :NH3+ -140:sc= 1.16 (180deg=0.481) USER MOD Set 7.2: A 113 ASN : amide:sc= 0.911 K(o=2.1,f=-3.6) USER MOD Set 8.1: A 3 GLN : amide:sc= -0.541 X(o=-1.4,f=-1.4) USER MOD Set 8.2: A 123 HIS : no HD1:sc= -0.825 K(o=-1.4,f=0.19) USER MOD Single : A 6 SER OG : rot 41:sc= 0.721 USER MOD Single : A 7 GLN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.54! C(o=-1.5!,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 2.27 (180deg=1.61) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0226 (180deg=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00208) USER MOD Single : A 41 THR OG1 : rot 80:sc= 0.221 USER MOD Single : A 50 THR OG1 : rot 64:sc= 0.372 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0241 (180deg=-0.256) USER MOD Single : A 64 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0225 K(o=-0.023,f=-0.66) USER MOD Single : A 69 THR OG1 : rot 59:sc= 0.627 USER MOD Single : A 78 THR OG1 : rot -40:sc= 0.0186 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -120:sc= 0.414 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 177:sc= 0 (180deg=-0.0268) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 111 LYS NZ :NH3+ -111:sc= 0.693 (180deg=0.0194) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 72:sc= 0.516 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.69) USER MOD Single : A 121 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-1.3) USER MOD Single : A 122 HIS : no HE2:sc= 0.555 K(o=0.56,f=-1.8!) USER MOD Single : A 124 HIS : no HD1:sc= -0.675 X(o=-0.68,f=-0.9) USER MOD Single : A 125 HIS : no HE2:sc= -0.474 K(o=-0.47,f=-2.7!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.777 1.055 0.855 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.148 1.763 0.521 1.00 25.00 O HETATM 3 C2 MYR A 1 1.440 0.067 -0.089 1.00 25.00 C HETATM 4 C3 MYR A 1 0.785 -1.351 -0.024 1.00 25.00 C HETATM 5 C4 MYR A 1 1.020 -2.062 1.341 1.00 25.00 C HETATM 6 C5 MYR A 1 0.649 -3.571 1.295 1.00 25.00 C HETATM 7 C6 MYR A 1 1.092 -4.326 2.589 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.037 -4.445 3.669 1.00 25.00 C HETATM 9 C8 MYR A 1 0.560 -4.585 5.109 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.215 -5.517 6.096 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.722 -5.187 6.280 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.269 -5.762 7.614 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.777 -5.448 7.809 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.256 -5.875 9.225 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.697 -5.407 9.500 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.745 -4.320 9.434 1.00 25.00 H new HETATM 0 H142 MYR A 1 -6.369 -5.846 8.763 1.00 25.00 H new HETATM 0 H141 MYR A 1 -5.998 -5.723 10.499 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.201 -6.960 9.317 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.587 -5.457 9.978 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.951 -4.381 7.669 1.00 25.00 H new HETATM 0 H121 MYR A 1 -4.362 -5.969 7.051 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.118 -6.841 7.632 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.702 -5.347 8.447 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.864 -4.106 6.262 1.00 25.00 H new HETATM 0 H101 MYR A 1 -2.290 -5.597 5.445 1.00 25.00 H new HETATM 0 H92 MYR A 1 -0.126 -6.545 5.744 1.00 25.00 H new HETATM 0 H91 MYR A 1 0.271 -5.470 7.070 1.00 25.00 H new HETATM 0 H82 MYR A 1 1.581 -4.955 5.021 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.618 -3.591 5.553 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.679 -3.565 3.624 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.664 -5.309 3.448 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.429 -5.326 2.317 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.947 -3.809 3.026 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.428 -3.675 1.166 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.120 -4.033 0.427 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.066 -1.957 1.627 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.428 -1.568 2.111 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.287 -1.260 -0.201 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.189 -1.970 -0.825 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.379 0.446 -1.109 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.499 -0.013 0.158 1.00 25.00 H new ATOM 43 N GLY A 2 1.288 1.079 2.103 1.00 25.00 N ATOM 44 CA GLY A 2 0.783 1.865 3.221 1.00 25.00 C ATOM 45 C GLY A 2 0.539 3.329 2.927 1.00 25.00 C ATOM 46 O GLY A 2 -0.423 3.890 3.437 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.151 1.420 3.563 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.492 1.791 4.045 1.00 25.00 H new ATOM 50 N GLN A 3 1.361 3.942 2.082 1.00 25.00 N ATOM 51 CA GLN A 3 1.168 5.353 1.722 1.00 25.00 C ATOM 52 C GLN A 3 -0.215 5.557 1.106 1.00 25.00 C ATOM 53 O GLN A 3 -0.913 6.525 1.413 1.00 25.00 O ATOM 54 CB GLN A 3 2.223 5.794 0.701 1.00 25.00 C ATOM 55 CG GLN A 3 3.643 5.871 1.245 1.00 25.00 C ATOM 56 CD GLN A 3 4.659 6.036 0.133 1.00 25.00 C ATOM 57 OE1 GLN A 3 5.116 7.141 -0.152 1.00 25.00 O ATOM 58 NE2 GLN A 3 5.018 4.955 -0.495 1.00 25.00 N ATOM 0 H GLN A 3 2.161 3.495 1.634 1.00 25.00 H new ATOM 0 HA GLN A 3 1.262 5.948 2.631 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.208 5.100 -0.139 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.944 6.773 0.311 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.723 6.708 1.938 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.866 4.966 1.811 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.617 4.055 -0.231 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.700 5.007 -1.252 1.00 25.00 H new ATOM 67 N GLU A 4 -0.606 4.628 0.249 1.00 25.00 N ATOM 68 CA GLU A 4 -1.891 4.683 -0.427 1.00 25.00 C ATOM 69 C GLU A 4 -3.005 4.324 0.550 1.00 25.00 C ATOM 70 O GLU A 4 -4.087 4.892 0.491 1.00 25.00 O ATOM 71 CB GLU A 4 -1.860 3.724 -1.626 1.00 25.00 C ATOM 72 CG GLU A 4 -3.146 2.945 -1.891 1.00 25.00 C ATOM 73 CD GLU A 4 -2.964 1.923 -2.993 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.101 2.134 -3.866 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.627 0.863 -2.940 1.00 25.00 O ATOM 0 H GLU A 4 -0.041 3.815 0.003 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.086 5.691 -0.792 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.615 4.298 -2.520 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.050 3.010 -1.475 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.462 2.442 -0.977 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.941 3.638 -2.165 1.00 25.00 H new ATOM 82 N LEU A 5 -2.746 3.416 1.482 1.00 25.00 N ATOM 83 CA LEU A 5 -3.780 3.032 2.444 1.00 25.00 C ATOM 84 C LEU A 5 -4.182 4.215 3.325 1.00 25.00 C ATOM 85 O LEU A 5 -5.365 4.414 3.564 1.00 25.00 O ATOM 86 CB LEU A 5 -3.336 1.847 3.319 1.00 25.00 C ATOM 87 CG LEU A 5 -3.528 0.402 2.804 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.862 0.207 2.130 1.00 25.00 C ATOM 89 CD2 LEU A 5 -2.436 -0.040 1.865 1.00 25.00 C ATOM 0 H LEU A 5 -1.852 2.939 1.595 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.648 2.717 1.866 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.275 1.979 3.532 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -3.864 1.927 4.269 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.484 -0.219 3.699 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.949 -0.824 1.786 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.662 0.422 2.838 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -4.941 0.882 1.278 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -2.628 -1.062 1.539 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.413 0.619 0.997 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -1.475 0.003 2.378 1.00 25.00 H new ATOM 101 N SER A 6 -3.224 5.037 3.744 1.00 25.00 N ATOM 102 CA SER A 6 -3.534 6.268 4.490 1.00 25.00 C ATOM 103 C SER A 6 -4.241 7.337 3.644 1.00 25.00 C ATOM 104 O SER A 6 -4.745 8.314 4.181 1.00 25.00 O ATOM 105 CB SER A 6 -2.253 6.878 5.062 1.00 25.00 C ATOM 106 OG SER A 6 -1.133 6.597 4.241 1.00 25.00 O ATOM 0 H SER A 6 -2.229 4.880 3.584 1.00 25.00 H new ATOM 0 HA SER A 6 -4.217 5.967 5.285 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.374 7.957 5.158 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.078 6.487 6.064 1.00 25.00 H new ATOM 0 HG SER A 6 -1.388 6.685 3.299 1.00 25.00 H new ATOM 112 N GLN A 7 -4.258 7.153 2.331 1.00 25.00 N ATOM 113 CA GLN A 7 -4.903 8.090 1.403 1.00 25.00 C ATOM 114 C GLN A 7 -6.292 7.556 0.994 1.00 25.00 C ATOM 115 O GLN A 7 -7.145 8.279 0.477 1.00 25.00 O ATOM 116 CB GLN A 7 -3.988 8.234 0.176 1.00 25.00 C ATOM 117 CG GLN A 7 -4.304 9.387 -0.764 1.00 25.00 C ATOM 118 CD GLN A 7 -3.231 9.544 -1.828 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.375 10.414 -1.734 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.254 8.690 -2.818 1.00 25.00 N ATOM 0 H GLN A 7 -3.826 6.351 1.872 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.050 9.062 1.873 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -2.962 8.348 0.525 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.030 7.306 -0.394 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -5.269 9.216 -1.241 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -4.390 10.311 -0.193 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.984 7.979 -2.861 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -2.542 8.735 -3.547 1.00 25.00 H new ATOM 129 N HIS A 8 -6.497 6.266 1.214 1.00 25.00 N ATOM 130 CA HIS A 8 -7.721 5.568 0.817 1.00 25.00 C ATOM 131 C HIS A 8 -8.811 5.738 1.873 1.00 25.00 C ATOM 132 O HIS A 8 -9.012 4.844 2.679 1.00 25.00 O ATOM 133 CB HIS A 8 -7.382 4.075 0.645 1.00 25.00 C ATOM 134 CG HIS A 8 -8.366 3.308 -0.184 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.696 1.971 0.059 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.083 3.645 -1.289 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.553 1.566 -0.871 1.00 25.00 C ATOM 138 NE2 HIS A 8 -9.799 2.556 -1.688 1.00 25.00 N ATOM 0 H HIS A 8 -5.815 5.665 1.677 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.097 5.986 -0.117 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.396 3.989 0.188 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.318 3.614 1.630 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.085 4.612 -1.769 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.979 0.576 -0.941 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -10.425 2.520 -2.493 1.00 25.00 H new ATOM 146 N GLU A 9 -9.507 6.869 1.883 1.00 25.00 N ATOM 147 CA GLU A 9 -10.492 7.175 2.945 1.00 25.00 C ATOM 148 C GLU A 9 -11.503 6.067 3.289 1.00 25.00 C ATOM 149 O GLU A 9 -11.872 5.929 4.444 1.00 25.00 O ATOM 150 CB GLU A 9 -11.246 8.473 2.636 1.00 25.00 C ATOM 151 CG GLU A 9 -10.455 9.742 2.982 1.00 25.00 C ATOM 152 CD GLU A 9 -10.142 9.859 4.482 1.00 25.00 C ATOM 153 OE1 GLU A 9 -11.063 10.127 5.288 1.00 25.00 O ATOM 154 OE2 GLU A 9 -8.970 9.670 4.856 1.00 25.00 O ATOM 0 H GLU A 9 -9.416 7.596 1.174 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.872 7.277 3.836 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.501 8.492 1.576 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.185 8.478 3.190 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -9.521 9.747 2.419 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.023 10.616 2.665 1.00 25.00 H new ATOM 161 N ARG A 10 -11.875 5.222 2.330 1.00 25.00 N ATOM 162 CA ARG A 10 -12.739 4.061 2.618 1.00 25.00 C ATOM 163 C ARG A 10 -12.136 3.169 3.711 1.00 25.00 C ATOM 164 O ARG A 10 -12.834 2.661 4.580 1.00 25.00 O ATOM 165 CB ARG A 10 -12.920 3.217 1.349 1.00 25.00 C ATOM 166 CG ARG A 10 -14.372 3.045 0.920 1.00 25.00 C ATOM 167 CD ARG A 10 -14.499 2.078 -0.268 1.00 25.00 C ATOM 168 NE ARG A 10 -14.187 0.684 0.112 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.233 -0.373 -0.698 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.583 -0.282 -1.959 1.00 25.00 N ATOM 171 NH2 ARG A 10 -13.913 -1.545 -0.228 1.00 25.00 N ATOM 0 H ARG A 10 -11.599 5.311 1.352 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.699 4.445 2.963 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.364 3.681 0.534 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.482 2.233 1.514 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.958 2.671 1.759 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.789 4.014 0.647 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.512 2.126 -0.667 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.827 2.395 -1.066 1.00 25.00 H new ATOM 0 HE ARG A 10 -13.912 0.516 1.080 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -14.833 0.624 -2.355 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -14.605 -1.117 -2.544 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -13.632 -1.644 0.748 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.943 -2.364 -0.836 1.00 25.00 H new ATOM 185 N TYR A 11 -10.828 2.989 3.639 1.00 25.00 N ATOM 186 CA TYR A 11 -10.089 2.155 4.577 1.00 25.00 C ATOM 187 C TYR A 11 -9.685 2.976 5.802 1.00 25.00 C ATOM 188 O TYR A 11 -9.747 2.496 6.932 1.00 25.00 O ATOM 189 CB TYR A 11 -8.848 1.619 3.860 1.00 25.00 C ATOM 190 CG TYR A 11 -8.019 0.651 4.663 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.517 -0.622 5.001 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.710 0.986 5.061 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.722 -1.543 5.729 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.908 0.061 5.774 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.425 -1.190 6.111 1.00 25.00 C ATOM 196 OH TYR A 11 -5.648 -2.069 6.823 1.00 25.00 O ATOM 0 H TYR A 11 -10.243 3.420 2.923 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.709 1.326 4.917 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.162 1.128 2.939 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.219 2.462 3.574 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.517 -0.900 4.702 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.313 1.961 4.819 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -8.118 -2.514 5.987 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.899 0.324 6.056 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.655 -2.944 6.381 1.00 25.00 H new ATOM 206 N VAL A 12 -9.299 4.227 5.575 1.00 25.00 N ATOM 207 CA VAL A 12 -8.899 5.120 6.668 1.00 25.00 C ATOM 208 C VAL A 12 -10.045 5.287 7.662 1.00 25.00 C ATOM 209 O VAL A 12 -9.813 5.225 8.850 1.00 25.00 O ATOM 210 CB VAL A 12 -8.464 6.530 6.150 1.00 25.00 C ATOM 211 CG1 VAL A 12 -7.974 7.439 7.290 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.335 6.411 5.139 1.00 25.00 C ATOM 0 H VAL A 12 -9.253 4.649 4.648 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.042 4.657 7.157 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.349 6.970 5.690 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -7.682 8.407 6.883 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -8.776 7.577 8.016 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.116 6.978 7.780 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.050 7.405 4.793 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.477 5.930 5.607 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.668 5.813 4.290 1.00 25.00 H new ATOM 222 N GLU A 13 -11.276 5.461 7.199 1.00 25.00 N ATOM 223 CA GLU A 13 -12.418 5.630 8.110 1.00 25.00 C ATOM 224 C GLU A 13 -12.570 4.452 9.062 1.00 25.00 C ATOM 225 O GLU A 13 -12.785 4.627 10.260 1.00 25.00 O ATOM 226 CB GLU A 13 -13.724 5.797 7.325 1.00 25.00 C ATOM 227 CG GLU A 13 -14.096 7.249 7.038 1.00 25.00 C ATOM 228 CD GLU A 13 -14.337 8.059 8.314 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.714 7.475 9.350 1.00 25.00 O ATOM 230 OE2 GLU A 13 -14.061 9.277 8.299 1.00 25.00 O ATOM 0 H GLU A 13 -11.516 5.490 6.208 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.216 6.528 8.693 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.638 5.261 6.380 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.534 5.329 7.884 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.299 7.717 6.460 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.994 7.275 6.421 1.00 25.00 H new ATOM 237 N GLN A 14 -12.413 3.245 8.547 1.00 25.00 N ATOM 238 CA GLN A 14 -12.524 2.067 9.388 1.00 25.00 C ATOM 239 C GLN A 14 -11.348 2.067 10.385 1.00 25.00 C ATOM 240 O GLN A 14 -11.525 1.810 11.584 1.00 25.00 O ATOM 241 CB GLN A 14 -12.612 0.810 8.490 1.00 25.00 C ATOM 242 CG GLN A 14 -11.436 -0.169 8.534 1.00 25.00 C ATOM 243 CD GLN A 14 -11.293 -0.844 9.873 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.246 -0.801 10.494 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.344 -1.458 10.325 1.00 25.00 N ATOM 0 H GLN A 14 -12.211 3.056 7.565 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.436 2.068 9.986 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.515 0.264 8.762 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.737 1.140 7.459 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.570 -0.927 7.762 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.515 0.365 8.300 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.203 -1.472 9.775 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.311 -1.927 11.230 1.00 25.00 H new ATOM 254 N LEU A 15 -10.164 2.433 9.911 1.00 25.00 N ATOM 255 CA LEU A 15 -8.980 2.484 10.760 1.00 25.00 C ATOM 256 C LEU A 15 -9.042 3.608 11.798 1.00 25.00 C ATOM 257 O LEU A 15 -8.375 3.523 12.829 1.00 25.00 O ATOM 258 CB LEU A 15 -7.709 2.637 9.924 1.00 25.00 C ATOM 259 CG LEU A 15 -7.104 1.408 9.230 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.794 1.868 8.592 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.817 0.253 10.193 1.00 25.00 C ATOM 0 H LEU A 15 -9.998 2.700 8.941 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.955 1.535 11.296 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.914 3.379 9.152 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.940 3.056 10.573 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.819 1.027 8.501 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.322 1.027 8.083 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.999 2.660 7.871 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.125 2.246 9.366 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.391 -0.584 9.640 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.111 0.582 10.955 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.745 -0.062 10.670 1.00 25.00 H new ATOM 273 N LYS A 16 -9.829 4.653 11.553 1.00 25.00 N ATOM 274 CA LYS A 16 -9.980 5.752 12.522 1.00 25.00 C ATOM 275 C LYS A 16 -10.530 5.183 13.818 1.00 25.00 C ATOM 276 O LYS A 16 -10.217 5.690 14.892 1.00 25.00 O ATOM 277 CB LYS A 16 -10.884 6.887 11.986 1.00 25.00 C ATOM 278 CG LYS A 16 -10.210 7.780 10.916 1.00 25.00 C ATOM 279 CD LYS A 16 -11.193 8.755 10.229 1.00 25.00 C ATOM 280 CE LYS A 16 -10.600 9.282 8.897 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.485 10.239 8.137 1.00 25.00 N ATOM 0 H LYS A 16 -10.373 4.768 10.698 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.002 6.200 12.697 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.787 6.448 11.561 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.197 7.513 12.822 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.408 8.352 11.382 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.750 7.145 10.159 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.140 8.250 10.037 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.407 9.592 10.894 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -9.653 9.778 9.110 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.376 8.430 8.255 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.264 10.185 7.122 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.482 9.984 8.288 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.320 11.208 8.476 1.00 25.00 H new ATOM 295 N GLN A 17 -11.280 4.094 13.734 1.00 25.00 N ATOM 296 CA GLN A 17 -11.685 3.372 14.935 1.00 25.00 C ATOM 297 C GLN A 17 -10.596 2.392 15.400 1.00 25.00 C ATOM 298 O GLN A 17 -10.228 2.391 16.571 1.00 25.00 O ATOM 299 CB GLN A 17 -12.998 2.626 14.702 1.00 25.00 C ATOM 300 CG GLN A 17 -14.159 3.555 14.362 1.00 25.00 C ATOM 301 CD GLN A 17 -15.491 2.844 14.402 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.867 2.281 15.415 1.00 25.00 O ATOM 303 NE2 GLN A 17 -16.210 2.875 13.312 1.00 25.00 N ATOM 0 H GLN A 17 -11.618 3.693 12.859 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.833 4.110 15.723 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.864 1.910 13.891 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.248 2.053 15.595 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.173 4.388 15.065 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.005 3.978 13.369 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.860 3.357 12.484 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -17.121 2.417 13.289 1.00 25.00 H new ATOM 312 N ALA A 18 -10.088 1.556 14.499 1.00 25.00 N ATOM 313 CA ALA A 18 -9.121 0.513 14.879 1.00 25.00 C ATOM 314 C ALA A 18 -7.849 1.042 15.567 1.00 25.00 C ATOM 315 O ALA A 18 -7.406 0.465 16.563 1.00 25.00 O ATOM 316 CB ALA A 18 -8.741 -0.327 13.656 1.00 25.00 C ATOM 0 H ALA A 18 -10.323 1.574 13.507 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.630 -0.101 15.622 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -8.025 -1.095 13.950 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.634 -0.800 13.248 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.293 0.316 12.898 1.00 25.00 H new ATOM 322 N LEU A 19 -7.284 2.140 15.075 1.00 25.00 N ATOM 323 CA LEU A 19 -6.073 2.713 15.683 1.00 25.00 C ATOM 324 C LEU A 19 -6.344 3.055 17.152 1.00 25.00 C ATOM 325 O LEU A 19 -5.496 2.851 18.019 1.00 25.00 O ATOM 326 CB LEU A 19 -5.617 3.991 14.941 1.00 25.00 C ATOM 327 CG LEU A 19 -4.431 3.858 13.954 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.878 3.562 12.518 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.591 5.141 13.941 1.00 25.00 C ATOM 0 H LEU A 19 -7.636 2.651 14.266 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.279 1.970 15.609 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.472 4.383 14.390 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.350 4.738 15.689 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.841 3.014 14.311 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -4.002 3.480 11.874 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.434 2.625 12.496 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.516 4.371 12.162 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.763 5.027 13.241 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.214 5.981 13.632 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.198 5.329 14.940 1.00 25.00 H new ATOM 341 N LYS A 20 -7.542 3.551 17.433 1.00 25.00 N ATOM 342 CA LYS A 20 -7.909 3.933 18.798 1.00 25.00 C ATOM 343 C LYS A 20 -8.158 2.734 19.695 1.00 25.00 C ATOM 344 O LYS A 20 -7.867 2.800 20.878 1.00 25.00 O ATOM 345 CB LYS A 20 -9.183 4.784 18.797 1.00 25.00 C ATOM 346 CG LYS A 20 -9.073 6.101 18.051 1.00 25.00 C ATOM 347 CD LYS A 20 -10.438 6.780 18.011 1.00 25.00 C ATOM 348 CE LYS A 20 -10.410 8.051 17.173 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.796 8.621 17.027 1.00 25.00 N ATOM 0 H LYS A 20 -8.276 3.699 16.740 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.061 4.497 19.187 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.992 4.201 18.357 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.465 4.991 19.829 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.347 6.749 18.542 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.712 5.928 17.037 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.176 6.090 17.601 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.755 7.020 19.026 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.756 8.787 17.641 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.994 7.835 16.189 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.756 9.487 16.453 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.411 7.924 16.560 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.180 8.846 17.967 1.00 25.00 H new ATOM 363 N THR A 21 -8.703 1.651 19.158 1.00 25.00 N ATOM 364 CA THR A 21 -9.032 0.488 19.994 1.00 25.00 C ATOM 365 C THR A 21 -7.798 -0.200 20.568 1.00 25.00 C ATOM 366 O THR A 21 -7.882 -0.853 21.598 1.00 25.00 O ATOM 367 CB THR A 21 -9.888 -0.574 19.252 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.224 -1.013 18.060 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.247 -0.013 18.871 1.00 25.00 C ATOM 0 H THR A 21 -8.926 1.546 18.168 1.00 25.00 H new ATOM 0 HA THR A 21 -9.619 0.907 20.811 1.00 25.00 H new ATOM 0 HB THR A 21 -10.023 -1.415 19.932 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.568 -0.339 17.784 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.824 -0.779 18.353 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.779 0.296 19.771 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.115 0.847 18.215 1.00 25.00 H new ATOM 377 N ARG A 22 -6.636 -0.015 19.951 1.00 25.00 N ATOM 378 CA ARG A 22 -5.410 -0.583 20.507 1.00 25.00 C ATOM 379 C ARG A 22 -4.939 0.271 21.690 1.00 25.00 C ATOM 380 O ARG A 22 -4.173 -0.186 22.530 1.00 25.00 O ATOM 381 CB ARG A 22 -4.330 -0.699 19.414 1.00 25.00 C ATOM 382 CG ARG A 22 -3.085 -1.505 19.828 1.00 25.00 C ATOM 383 CD ARG A 22 -3.405 -2.964 20.153 1.00 25.00 C ATOM 384 NE ARG A 22 -2.305 -3.609 20.885 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.120 -3.577 22.201 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.892 -2.898 23.015 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.129 -4.247 22.707 1.00 25.00 N ATOM 0 H ARG A 22 -6.515 0.511 19.085 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.606 -1.590 20.875 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.772 -1.164 18.533 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.017 0.304 19.122 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.351 -1.469 19.023 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.627 -1.036 20.699 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.317 -3.013 20.748 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.597 -3.510 19.229 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.622 -4.128 20.333 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.677 -2.362 22.645 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.708 -2.906 24.018 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.512 -4.783 22.097 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.968 -4.237 23.714 1.00 25.00 H new ATOM 401 N GLY A 23 -5.414 1.510 21.750 1.00 25.00 N ATOM 402 CA GLY A 23 -5.086 2.417 22.844 1.00 25.00 C ATOM 403 C GLY A 23 -3.754 3.118 22.666 1.00 25.00 C ATOM 404 O GLY A 23 -3.362 3.972 23.472 1.00 25.00 O ATOM 0 H GLY A 23 -6.033 1.912 21.047 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.873 3.166 22.934 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.071 1.857 23.779 1.00 25.00 H new ATOM 408 N VAL A 24 -3.042 2.753 21.611 1.00 25.00 N ATOM 409 CA VAL A 24 -1.703 3.277 21.368 1.00 25.00 C ATOM 410 C VAL A 24 -1.837 4.485 20.460 1.00 25.00 C ATOM 411 O VAL A 24 -2.424 4.416 19.384 1.00 25.00 O ATOM 412 CB VAL A 24 -0.777 2.203 20.733 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.664 2.726 20.618 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.777 0.931 21.594 1.00 25.00 C ATOM 0 H VAL A 24 -3.369 2.093 20.905 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.241 3.563 22.313 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.157 1.977 19.737 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.295 1.958 20.171 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.678 3.618 19.991 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.041 2.974 21.610 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.125 0.185 21.140 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.415 1.169 22.594 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.791 0.536 21.659 1.00 25.00 H new ATOM 424 N LYS A 25 -1.346 5.617 20.933 1.00 25.00 N ATOM 425 CA LYS A 25 -1.517 6.881 20.224 1.00 25.00 C ATOM 426 C LYS A 25 -0.436 7.041 19.160 1.00 25.00 C ATOM 427 O LYS A 25 0.579 7.688 19.382 1.00 25.00 O ATOM 428 CB LYS A 25 -1.477 8.030 21.239 1.00 25.00 C ATOM 429 CG LYS A 25 -2.579 7.903 22.302 1.00 25.00 C ATOM 430 CD LYS A 25 -2.453 8.957 23.393 1.00 25.00 C ATOM 431 CE LYS A 25 -3.537 8.767 24.467 1.00 25.00 C ATOM 432 NZ LYS A 25 -3.406 7.444 25.198 1.00 25.00 N ATOM 0 H LYS A 25 -0.824 5.691 21.806 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.481 6.895 19.715 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.503 8.047 21.728 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.587 8.979 20.715 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.554 7.993 21.824 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.535 6.911 22.751 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.466 8.895 23.852 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.539 9.951 22.955 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.478 9.583 25.187 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -4.520 8.825 24.000 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -4.008 7.455 26.046 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -3.705 6.670 24.571 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.415 7.299 25.479 1.00 25.00 H new ATOM 446 N VAL A 26 -0.683 6.458 17.997 1.00 25.00 N ATOM 447 CA VAL A 26 0.247 6.529 16.869 1.00 25.00 C ATOM 448 C VAL A 26 -0.334 7.500 15.853 1.00 25.00 C ATOM 449 O VAL A 26 -1.542 7.503 15.611 1.00 25.00 O ATOM 450 CB VAL A 26 0.434 5.128 16.189 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.572 5.166 15.159 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.745 4.060 17.234 1.00 25.00 C ATOM 0 H VAL A 26 -1.530 5.923 17.804 1.00 25.00 H new ATOM 0 HA VAL A 26 1.222 6.858 17.228 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.500 4.881 15.683 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.682 4.183 14.702 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.341 5.901 14.388 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.503 5.441 15.655 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.871 3.096 16.742 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.663 4.322 17.760 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.077 3.999 17.947 1.00 25.00 H new ATOM 462 N LYS A 27 0.507 8.322 15.240 1.00 25.00 N ATOM 463 CA LYS A 27 0.036 9.209 14.180 1.00 25.00 C ATOM 464 C LYS A 27 -0.334 8.306 13.010 1.00 25.00 C ATOM 465 O LYS A 27 0.421 7.430 12.650 1.00 25.00 O ATOM 466 CB LYS A 27 1.132 10.210 13.778 1.00 25.00 C ATOM 467 CG LYS A 27 0.722 11.228 12.698 1.00 25.00 C ATOM 468 CD LYS A 27 -0.311 12.244 13.207 1.00 25.00 C ATOM 469 CE LYS A 27 -0.676 13.251 12.110 1.00 25.00 C ATOM 470 NZ LYS A 27 -1.651 14.295 12.601 1.00 25.00 N ATOM 0 H LYS A 27 1.502 8.395 15.452 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.819 9.801 14.507 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.449 10.755 14.667 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.998 9.653 13.420 1.00 25.00 H new ATOM 0 HG2 LYS A 27 1.608 11.759 12.350 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.311 10.696 11.840 1.00 25.00 H new ATOM 0 HD2 LYS A 27 -1.208 11.721 13.539 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.089 12.772 14.073 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.229 13.741 11.752 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.109 12.721 11.261 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -1.871 14.955 11.828 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -2.526 13.831 12.919 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -1.229 14.819 13.394 1.00 25.00 H new ATOM 484 N PHE A 28 -1.491 8.534 12.417 1.00 25.00 N ATOM 485 CA PHE A 28 -1.982 7.708 11.311 1.00 25.00 C ATOM 486 C PHE A 28 -0.982 7.514 10.182 1.00 25.00 C ATOM 487 O PHE A 28 -0.721 6.394 9.763 1.00 25.00 O ATOM 488 CB PHE A 28 -3.219 8.399 10.734 1.00 25.00 C ATOM 489 CG PHE A 28 -4.389 7.502 10.556 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.449 6.596 9.483 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.469 7.582 11.447 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.584 5.781 9.300 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.601 6.786 11.269 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.667 5.890 10.194 1.00 25.00 C ATOM 0 H PHE A 28 -2.120 9.292 12.681 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.187 6.718 11.718 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.502 9.221 11.391 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.961 8.836 9.770 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.620 6.524 8.794 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.424 8.267 12.280 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.623 5.078 8.481 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.427 6.861 11.961 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.549 5.283 10.051 1.00 25.00 H new ATOM 504 N ALA A 29 -0.414 8.612 9.705 1.00 25.00 N ATOM 505 CA ALA A 29 0.542 8.562 8.609 1.00 25.00 C ATOM 506 C ALA A 29 1.786 7.772 9.013 1.00 25.00 C ATOM 507 O ALA A 29 2.424 7.158 8.179 1.00 25.00 O ATOM 508 CB ALA A 29 0.924 9.987 8.189 1.00 25.00 C ATOM 0 H ALA A 29 -0.599 9.550 10.061 1.00 25.00 H new ATOM 0 HA ALA A 29 0.080 8.054 7.763 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.640 9.945 7.368 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.032 10.522 7.865 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.372 10.508 9.035 1.00 25.00 H new ATOM 514 N ASP A 30 2.111 7.788 10.298 1.00 25.00 N ATOM 515 CA ASP A 30 3.280 7.069 10.796 1.00 25.00 C ATOM 516 C ASP A 30 2.973 5.588 11.000 1.00 25.00 C ATOM 517 O ASP A 30 3.846 4.763 10.844 1.00 25.00 O ATOM 518 CB ASP A 30 3.781 7.681 12.104 1.00 25.00 C ATOM 519 CG ASP A 30 5.247 7.364 12.366 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.065 7.538 11.433 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.595 7.019 13.513 1.00 25.00 O ATOM 0 H ASP A 30 1.585 8.289 11.014 1.00 25.00 H new ATOM 0 HA ASP A 30 4.063 7.159 10.043 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.645 8.762 12.072 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.177 7.308 12.932 1.00 25.00 H new ATOM 526 N LEU A 31 1.726 5.227 11.285 1.00 25.00 N ATOM 527 CA LEU A 31 1.399 3.806 11.381 1.00 25.00 C ATOM 528 C LEU A 31 1.465 3.196 9.991 1.00 25.00 C ATOM 529 O LEU A 31 2.180 2.224 9.746 1.00 25.00 O ATOM 530 CB LEU A 31 0.019 3.543 11.991 1.00 25.00 C ATOM 531 CG LEU A 31 -0.320 2.034 12.044 1.00 25.00 C ATOM 532 CD1 LEU A 31 0.751 1.206 12.757 1.00 25.00 C ATOM 533 CD2 LEU A 31 -1.637 1.820 12.728 1.00 25.00 C ATOM 0 H LEU A 31 0.951 5.869 11.448 1.00 25.00 H new ATOM 0 HA LEU A 31 2.127 3.347 12.050 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.015 3.957 12.999 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.740 4.064 11.407 1.00 25.00 H new ATOM 0 HG LEU A 31 -0.367 1.695 11.009 1.00 25.00 H new ATOM 0 HD11 LEU A 31 0.456 0.157 12.762 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.702 1.314 12.235 1.00 25.00 H new ATOM 0 HD13 LEU A 31 0.859 1.557 13.783 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -1.862 0.754 12.758 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -1.586 2.209 13.745 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -2.421 2.341 12.179 1.00 25.00 H new ATOM 545 N LEU A 32 0.734 3.795 9.067 1.00 25.00 N ATOM 546 CA LEU A 32 0.722 3.315 7.681 1.00 25.00 C ATOM 547 C LEU A 32 2.089 3.418 7.000 1.00 25.00 C ATOM 548 O LEU A 32 2.364 2.696 6.053 1.00 25.00 O ATOM 549 CB LEU A 32 -0.329 4.050 6.851 1.00 25.00 C ATOM 550 CG LEU A 32 -1.783 3.543 6.939 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.910 2.056 6.625 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.374 3.815 8.298 1.00 25.00 C ATOM 0 H LEU A 32 0.143 4.608 9.241 1.00 25.00 H new ATOM 0 HA LEU A 32 0.464 2.257 7.733 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.319 5.099 7.147 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.021 4.011 5.806 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.337 4.096 6.181 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.955 1.756 6.703 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.552 1.866 5.613 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.314 1.482 7.335 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.399 3.446 8.329 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.783 3.308 9.060 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.368 4.888 8.489 1.00 25.00 H new ATOM 564 N LYS A 33 2.972 4.252 7.526 1.00 25.00 N ATOM 565 CA LYS A 33 4.365 4.312 7.047 1.00 25.00 C ATOM 566 C LYS A 33 4.997 2.923 7.096 1.00 25.00 C ATOM 567 O LYS A 33 5.740 2.530 6.206 1.00 25.00 O ATOM 568 CB LYS A 33 5.168 5.241 7.956 1.00 25.00 C ATOM 569 CG LYS A 33 6.593 5.502 7.556 1.00 25.00 C ATOM 570 CD LYS A 33 7.286 6.169 8.733 1.00 25.00 C ATOM 571 CE LYS A 33 8.650 6.707 8.384 1.00 25.00 C ATOM 572 NZ LYS A 33 8.502 8.003 7.653 1.00 25.00 N ATOM 0 H LYS A 33 2.760 4.900 8.284 1.00 25.00 H new ATOM 0 HA LYS A 33 4.371 4.681 6.021 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.648 6.198 8.011 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.167 4.819 8.961 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.094 4.570 7.295 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.632 6.143 6.675 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.663 6.984 9.100 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.382 5.450 9.546 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.238 6.853 9.290 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.189 5.988 7.767 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 9.261 8.092 6.947 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.579 8.028 7.174 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.563 8.791 8.328 1.00 25.00 H new ATOM 586 N PHE A 34 4.701 2.184 8.149 1.00 25.00 N ATOM 587 CA PHE A 34 5.268 0.857 8.334 1.00 25.00 C ATOM 588 C PHE A 34 4.506 -0.200 7.545 1.00 25.00 C ATOM 589 O PHE A 34 5.087 -1.196 7.138 1.00 25.00 O ATOM 590 CB PHE A 34 5.356 0.545 9.824 1.00 25.00 C ATOM 591 CG PHE A 34 6.495 1.265 10.493 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.344 2.597 10.912 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.744 0.639 10.657 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.420 3.309 11.483 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.835 1.342 11.229 1.00 25.00 C ATOM 596 CZ PHE A 34 8.668 2.685 11.637 1.00 25.00 C ATOM 0 H PHE A 34 4.069 2.480 8.893 1.00 25.00 H new ATOM 0 HA PHE A 34 6.280 0.840 7.930 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.419 0.824 10.307 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.478 -0.529 9.961 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.388 3.085 10.795 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.873 -0.387 10.344 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.284 4.332 11.801 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.790 0.853 11.352 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.497 3.229 12.065 1.00 25.00 H new ATOM 606 N PHE A 35 3.244 0.067 7.230 1.00 25.00 N ATOM 607 CA PHE A 35 2.476 -0.803 6.324 1.00 25.00 C ATOM 608 C PHE A 35 3.063 -0.693 4.910 1.00 25.00 C ATOM 609 O PHE A 35 2.890 -1.572 4.085 1.00 25.00 O ATOM 610 CB PHE A 35 0.997 -0.390 6.260 1.00 25.00 C ATOM 611 CG PHE A 35 0.162 -0.863 7.430 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.520 -0.573 8.763 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.025 -1.583 7.189 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.292 -1.008 9.839 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.845 -2.012 8.261 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.475 -1.725 9.584 1.00 25.00 C ATOM 0 H PHE A 35 2.726 0.872 7.582 1.00 25.00 H new ATOM 0 HA PHE A 35 2.540 -1.822 6.704 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.939 0.697 6.204 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.563 -0.780 5.339 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.422 -0.014 8.965 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.313 -1.811 6.173 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.003 -0.789 10.856 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.754 -2.559 8.061 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.097 -2.054 10.404 1.00 25.00 H new ATOM 626 N ASP A 36 3.751 0.401 4.631 1.00 25.00 N ATOM 627 CA ASP A 36 4.384 0.596 3.327 1.00 25.00 C ATOM 628 C ASP A 36 5.673 -0.214 3.254 1.00 25.00 C ATOM 629 O ASP A 36 6.007 -0.803 2.229 1.00 25.00 O ATOM 630 CB ASP A 36 4.687 2.083 3.136 1.00 25.00 C ATOM 631 CG ASP A 36 4.869 2.462 1.689 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.845 2.527 0.966 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.983 2.871 1.312 1.00 25.00 O ATOM 0 H ASP A 36 3.889 1.171 5.286 1.00 25.00 H new ATOM 0 HA ASP A 36 3.713 0.258 2.537 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.874 2.672 3.561 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.590 2.339 3.690 1.00 25.00 H new ATOM 638 N PHE A 37 6.375 -0.259 4.375 1.00 25.00 N ATOM 639 CA PHE A 37 7.665 -0.933 4.464 1.00 25.00 C ATOM 640 C PHE A 37 7.578 -2.448 4.276 1.00 25.00 C ATOM 641 O PHE A 37 8.476 -3.051 3.704 1.00 25.00 O ATOM 642 CB PHE A 37 8.307 -0.608 5.816 1.00 25.00 C ATOM 643 CG PHE A 37 9.743 -1.038 5.922 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.724 -0.453 5.099 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.127 -2.030 6.843 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.080 -0.852 5.192 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.479 -2.438 6.945 1.00 25.00 C ATOM 648 CZ PHE A 37 12.455 -1.844 6.117 1.00 25.00 C ATOM 0 H PHE A 37 6.069 0.169 5.249 1.00 25.00 H new ATOM 0 HA PHE A 37 8.279 -0.561 3.643 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.245 0.466 5.989 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.733 -1.092 6.606 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.439 0.309 4.388 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.382 -2.485 7.479 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.824 -0.396 4.555 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.762 -3.201 7.654 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.488 -2.150 6.193 1.00 25.00 H new ATOM 658 N VAL A 38 6.495 -3.074 4.718 1.00 25.00 N ATOM 659 CA VAL A 38 6.364 -4.525 4.532 1.00 25.00 C ATOM 660 C VAL A 38 6.285 -4.858 3.048 1.00 25.00 C ATOM 661 O VAL A 38 6.885 -5.822 2.613 1.00 25.00 O ATOM 662 CB VAL A 38 5.157 -5.159 5.329 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.160 -4.121 5.753 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.441 -6.280 4.528 1.00 25.00 C ATOM 0 H VAL A 38 5.714 -2.623 5.194 1.00 25.00 H new ATOM 0 HA VAL A 38 7.260 -4.979 4.955 1.00 25.00 H new ATOM 0 HB VAL A 38 5.594 -5.608 6.221 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.346 -4.599 6.298 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.648 -3.390 6.398 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.761 -3.619 4.872 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.619 -6.682 5.120 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.050 -5.869 3.597 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.150 -7.076 4.303 1.00 25.00 H new ATOM 674 N LYS A 39 5.596 -4.046 2.256 1.00 25.00 N ATOM 675 CA LYS A 39 5.498 -4.313 0.815 1.00 25.00 C ATOM 676 C LYS A 39 6.866 -4.160 0.158 1.00 25.00 C ATOM 677 O LYS A 39 7.216 -4.918 -0.738 1.00 25.00 O ATOM 678 CB LYS A 39 4.474 -3.372 0.166 1.00 25.00 C ATOM 679 CG LYS A 39 3.991 -3.820 -1.227 1.00 25.00 C ATOM 680 CD LYS A 39 4.857 -3.262 -2.366 1.00 25.00 C ATOM 681 CE LYS A 39 4.118 -2.203 -3.180 1.00 25.00 C ATOM 682 NZ LYS A 39 3.044 -2.791 -4.044 1.00 25.00 N ATOM 0 H LYS A 39 5.103 -3.211 2.573 1.00 25.00 H new ATOM 0 HA LYS A 39 5.159 -5.338 0.669 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.611 -3.284 0.826 1.00 25.00 H new ATOM 0 HB3 LYS A 39 4.914 -2.378 0.082 1.00 25.00 H new ATOM 0 HG2 LYS A 39 3.994 -4.909 -1.275 1.00 25.00 H new ATOM 0 HG3 LYS A 39 2.960 -3.498 -1.370 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.768 -2.830 -1.951 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.161 -4.077 -3.023 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.676 -1.472 -2.503 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.831 -1.667 -3.806 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.040 -2.312 -4.967 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 3.226 -3.806 -4.181 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.120 -2.664 -3.584 1.00 25.00 H new ATOM 696 N ASP A 40 7.630 -3.187 0.630 1.00 25.00 N ATOM 697 CA ASP A 40 8.975 -2.918 0.109 1.00 25.00 C ATOM 698 C ASP A 40 9.900 -4.123 0.327 1.00 25.00 C ATOM 699 O ASP A 40 10.560 -4.587 -0.594 1.00 25.00 O ATOM 700 CB ASP A 40 9.547 -1.678 0.814 1.00 25.00 C ATOM 701 CG ASP A 40 10.776 -1.117 0.119 1.00 25.00 C ATOM 702 OD1 ASP A 40 10.683 -0.786 -1.084 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.798 -0.893 0.807 1.00 25.00 O ATOM 0 H ASP A 40 7.343 -2.560 1.382 1.00 25.00 H new ATOM 0 HA ASP A 40 8.910 -2.737 -0.964 1.00 25.00 H new ATOM 0 HB2 ASP A 40 8.779 -0.906 0.861 1.00 25.00 H new ATOM 0 HB3 ASP A 40 9.803 -1.936 1.842 1.00 25.00 H new ATOM 708 N THR A 41 9.918 -4.649 1.547 1.00 25.00 N ATOM 709 CA THR A 41 10.767 -5.800 1.877 1.00 25.00 C ATOM 710 C THR A 41 10.193 -7.138 1.378 1.00 25.00 C ATOM 711 O THR A 41 10.928 -8.082 1.108 1.00 25.00 O ATOM 712 CB THR A 41 10.962 -5.891 3.412 1.00 25.00 C ATOM 713 OG1 THR A 41 11.158 -4.576 3.938 1.00 25.00 O ATOM 714 CG2 THR A 41 12.177 -6.723 3.777 1.00 25.00 C ATOM 0 H THR A 41 9.358 -4.302 2.325 1.00 25.00 H new ATOM 0 HA THR A 41 11.717 -5.634 1.369 1.00 25.00 H new ATOM 0 HB THR A 41 10.072 -6.362 3.830 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.292 -4.125 4.022 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.279 -6.762 4.862 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.056 -7.734 3.387 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.070 -6.272 3.345 1.00 25.00 H new ATOM 722 N CYS A 42 8.874 -7.227 1.281 1.00 25.00 N ATOM 723 CA CYS A 42 8.195 -8.465 0.887 1.00 25.00 C ATOM 724 C CYS A 42 7.395 -8.291 -0.408 1.00 25.00 C ATOM 725 O CYS A 42 6.175 -8.096 -0.366 1.00 25.00 O ATOM 726 CB CYS A 42 7.235 -8.903 1.998 1.00 25.00 C ATOM 727 SG CYS A 42 8.017 -9.094 3.598 1.00 25.00 S ATOM 0 H CYS A 42 8.242 -6.450 1.471 1.00 25.00 H new ATOM 0 HA CYS A 42 8.964 -9.219 0.720 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.433 -8.170 2.082 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.774 -9.849 1.714 1.00 25.00 H new ATOM 0 HG CYS A 42 9.201 -9.609 3.444 1.00 25.00 H new ATOM 733 N PRO A 43 8.045 -8.435 -1.576 1.00 25.00 N ATOM 734 CA PRO A 43 7.300 -8.259 -2.831 1.00 25.00 C ATOM 735 C PRO A 43 6.289 -9.376 -3.087 1.00 25.00 C ATOM 736 O PRO A 43 5.360 -9.227 -3.873 1.00 25.00 O ATOM 737 CB PRO A 43 8.409 -8.255 -3.886 1.00 25.00 C ATOM 738 CG PRO A 43 9.473 -9.110 -3.297 1.00 25.00 C ATOM 739 CD PRO A 43 9.462 -8.762 -1.831 1.00 25.00 C ATOM 0 HA PRO A 43 6.692 -7.354 -2.828 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.056 -8.655 -4.836 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.771 -7.245 -4.080 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.266 -10.168 -3.456 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.444 -8.904 -3.747 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.800 -9.596 -1.216 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.116 -7.918 -1.612 1.00 25.00 H new ATOM 747 N TRP A 44 6.450 -10.486 -2.382 1.00 25.00 N ATOM 748 CA TRP A 44 5.524 -11.606 -2.483 1.00 25.00 C ATOM 749 C TRP A 44 4.286 -11.425 -1.604 1.00 25.00 C ATOM 750 O TRP A 44 3.315 -12.149 -1.754 1.00 25.00 O ATOM 751 CB TRP A 44 6.241 -12.900 -2.089 1.00 25.00 C ATOM 752 CG TRP A 44 7.243 -12.721 -0.968 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.015 -12.260 0.293 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.656 -13.007 -1.014 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.158 -12.237 1.037 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.192 -12.697 0.271 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.524 -13.497 -2.012 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.554 -12.872 0.582 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.899 -13.668 -1.703 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.396 -13.352 -0.405 1.00 25.00 C ATOM 0 H TRP A 44 7.219 -10.636 -1.729 1.00 25.00 H new ATOM 0 HA TRP A 44 5.186 -11.654 -3.518 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.499 -13.639 -1.787 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.754 -13.302 -2.963 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.047 -11.950 0.659 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.229 -11.927 2.006 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.149 -13.738 -2.995 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.932 -12.637 1.566 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.575 -14.041 -2.458 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.445 -13.489 -0.189 1.00 25.00 H new ATOM 771 N PHE A 45 4.301 -10.468 -0.686 1.00 25.00 N ATOM 772 CA PHE A 45 3.152 -10.276 0.204 1.00 25.00 C ATOM 773 C PHE A 45 1.884 -9.819 -0.549 1.00 25.00 C ATOM 774 O PHE A 45 0.826 -10.436 -0.391 1.00 25.00 O ATOM 775 CB PHE A 45 3.503 -9.316 1.346 1.00 25.00 C ATOM 776 CG PHE A 45 2.504 -9.324 2.469 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.546 -10.335 3.450 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.516 -8.329 2.557 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.615 -10.346 4.520 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.581 -8.330 3.622 1.00 25.00 C ATOM 781 CZ PHE A 45 0.632 -9.342 4.604 1.00 25.00 C ATOM 0 H PHE A 45 5.076 -9.822 -0.535 1.00 25.00 H new ATOM 0 HA PHE A 45 2.916 -11.249 0.634 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.484 -9.579 1.742 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.581 -8.304 0.948 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.295 -11.110 3.386 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.469 -7.555 1.805 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.660 -11.123 5.269 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.170 -7.556 3.682 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.080 -9.346 5.416 1.00 25.00 H new ATOM 791 N PRO A 46 1.975 -8.786 -1.425 1.00 25.00 N ATOM 792 CA PRO A 46 0.726 -8.506 -2.150 1.00 25.00 C ATOM 793 C PRO A 46 0.350 -9.575 -3.181 1.00 25.00 C ATOM 794 O PRO A 46 -0.813 -9.699 -3.543 1.00 25.00 O ATOM 795 CB PRO A 46 1.020 -7.167 -2.828 1.00 25.00 C ATOM 796 CG PRO A 46 2.474 -7.199 -3.065 1.00 25.00 C ATOM 797 CD PRO A 46 3.037 -7.839 -1.829 1.00 25.00 C ATOM 0 HA PRO A 46 -0.132 -8.492 -1.478 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.466 -7.062 -3.761 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.737 -6.327 -2.193 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.719 -7.774 -3.958 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.875 -6.196 -3.212 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.977 -8.351 -2.033 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.238 -7.103 -1.050 1.00 25.00 H new ATOM 805 N GLN A 47 1.319 -10.375 -3.614 1.00 25.00 N ATOM 806 CA GLN A 47 1.041 -11.467 -4.547 1.00 25.00 C ATOM 807 C GLN A 47 0.202 -12.533 -3.840 1.00 25.00 C ATOM 808 O GLN A 47 -0.749 -13.068 -4.410 1.00 25.00 O ATOM 809 CB GLN A 47 2.347 -12.087 -5.070 1.00 25.00 C ATOM 810 CG GLN A 47 3.237 -11.129 -5.886 1.00 25.00 C ATOM 811 CD GLN A 47 2.789 -10.983 -7.333 1.00 25.00 C ATOM 812 OE1 GLN A 47 1.632 -11.169 -7.663 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.712 -10.658 -8.196 1.00 25.00 N ATOM 0 H GLN A 47 2.297 -10.291 -3.338 1.00 25.00 H new ATOM 0 HA GLN A 47 0.490 -11.070 -5.400 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.921 -12.459 -4.221 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.101 -12.948 -5.691 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.235 -10.148 -5.411 1.00 25.00 H new ATOM 0 HG3 GLN A 47 4.265 -11.491 -5.865 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.672 -10.510 -7.885 1.00 25.00 H new ATOM 0 HE22 GLN A 47 3.474 -10.552 -9.182 1.00 25.00 H new ATOM 822 N GLU A 48 0.517 -12.802 -2.575 1.00 25.00 N ATOM 823 CA GLU A 48 -0.279 -13.738 -1.777 1.00 25.00 C ATOM 824 C GLU A 48 -1.667 -13.132 -1.605 1.00 25.00 C ATOM 825 O GLU A 48 -2.681 -13.819 -1.732 1.00 25.00 O ATOM 826 CB GLU A 48 0.350 -13.979 -0.395 1.00 25.00 C ATOM 827 CG GLU A 48 1.712 -14.669 -0.431 1.00 25.00 C ATOM 828 CD GLU A 48 1.707 -16.005 0.293 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.850 -16.025 1.541 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.576 -17.046 -0.374 1.00 25.00 O ATOM 0 H GLU A 48 1.310 -12.391 -2.082 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.325 -14.700 -2.288 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.455 -13.021 0.114 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.334 -14.583 0.201 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.011 -14.823 -1.468 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.458 -14.017 0.022 1.00 25.00 H new ATOM 837 N GLY A 49 -1.702 -11.827 -1.354 1.00 25.00 N ATOM 838 CA GLY A 49 -2.961 -11.103 -1.251 1.00 25.00 C ATOM 839 C GLY A 49 -3.854 -11.640 -0.159 1.00 25.00 C ATOM 840 O GLY A 49 -5.066 -11.652 -0.291 1.00 25.00 O ATOM 0 H GLY A 49 -0.872 -11.250 -1.218 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.755 -10.050 -1.061 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.486 -11.158 -2.204 1.00 25.00 H new ATOM 844 N THR A 50 -3.231 -12.140 0.895 1.00 25.00 N ATOM 845 CA THR A 50 -3.937 -12.788 1.990 1.00 25.00 C ATOM 846 C THR A 50 -3.477 -12.176 3.297 1.00 25.00 C ATOM 847 O THR A 50 -2.271 -12.047 3.532 1.00 25.00 O ATOM 848 CB THR A 50 -3.607 -14.296 2.014 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.991 -14.902 0.776 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.318 -15.023 3.148 1.00 25.00 C ATOM 0 H THR A 50 -2.219 -12.108 1.017 1.00 25.00 H new ATOM 0 HA THR A 50 -5.010 -12.652 1.855 1.00 25.00 H new ATOM 0 HB THR A 50 -2.531 -14.382 2.168 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.462 -14.518 0.046 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.055 -16.080 3.124 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.013 -14.595 4.103 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.396 -14.915 3.030 1.00 25.00 H new ATOM 858 N ILE A 51 -4.419 -11.822 4.157 1.00 25.00 N ATOM 859 CA ILE A 51 -4.095 -11.274 5.465 1.00 25.00 C ATOM 860 C ILE A 51 -4.457 -12.306 6.503 1.00 25.00 C ATOM 861 O ILE A 51 -5.599 -12.491 6.915 1.00 25.00 O ATOM 862 CB ILE A 51 -4.801 -9.958 5.758 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.507 -8.929 4.667 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.373 -9.398 7.153 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.066 -8.508 4.457 1.00 25.00 C ATOM 0 H ILE A 51 -5.419 -11.905 3.972 1.00 25.00 H new ATOM 0 HA ILE A 51 -3.029 -11.048 5.486 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.874 -10.150 5.774 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.880 -9.327 3.723 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.088 -8.033 4.887 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.890 -8.457 7.341 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.634 -10.117 7.929 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.296 -9.229 7.162 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.015 -7.775 3.652 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.679 -8.066 5.375 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.467 -9.380 4.193 1.00 25.00 H new ATOM 877 N ASP A 52 -3.418 -12.987 6.909 1.00 25.00 N ATOM 878 CA ASP A 52 -3.499 -14.036 7.912 1.00 25.00 C ATOM 879 C ASP A 52 -2.172 -14.025 8.626 1.00 25.00 C ATOM 880 O ASP A 52 -1.179 -13.500 8.115 1.00 25.00 O ATOM 881 CB ASP A 52 -3.772 -15.405 7.285 1.00 25.00 C ATOM 882 CG ASP A 52 -3.372 -16.546 8.195 1.00 25.00 C ATOM 883 OD1 ASP A 52 -3.965 -16.692 9.282 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.329 -17.169 7.913 1.00 25.00 O ATOM 0 H ASP A 52 -2.475 -12.833 6.552 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.328 -13.855 8.596 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.833 -15.488 7.047 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.227 -15.486 6.344 1.00 25.00 H new ATOM 889 N ILE A 53 -2.155 -14.541 9.836 1.00 25.00 N ATOM 890 CA ILE A 53 -0.993 -14.431 10.668 1.00 25.00 C ATOM 891 C ILE A 53 0.186 -15.249 10.169 1.00 25.00 C ATOM 892 O ILE A 53 1.319 -14.848 10.364 1.00 25.00 O ATOM 893 CB ILE A 53 -1.361 -14.781 12.113 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.321 -14.203 13.071 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.492 -16.305 12.331 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.329 -12.710 13.221 1.00 25.00 C ATOM 0 H ILE A 53 -2.937 -15.040 10.259 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.656 -13.395 10.626 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.336 -14.339 12.317 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.473 -14.649 14.054 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.668 -14.510 12.731 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.754 -16.503 13.370 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.271 -16.700 11.679 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.544 -16.789 12.098 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.449 -12.411 13.924 1.00 25.00 H new ATOM 0 HD12 ILE A 53 -0.141 -12.246 12.253 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.300 -12.387 13.596 1.00 25.00 H new ATOM 908 N LYS A 54 -0.045 -16.356 9.475 1.00 25.00 N ATOM 909 CA LYS A 54 1.078 -17.147 8.952 1.00 25.00 C ATOM 910 C LYS A 54 1.767 -16.344 7.863 1.00 25.00 C ATOM 911 O LYS A 54 2.989 -16.371 7.742 1.00 25.00 O ATOM 912 CB LYS A 54 0.608 -18.482 8.359 1.00 25.00 C ATOM 913 CG LYS A 54 -0.020 -19.450 9.357 1.00 25.00 C ATOM 914 CD LYS A 54 1.020 -20.039 10.315 1.00 25.00 C ATOM 915 CE LYS A 54 0.404 -21.116 11.209 1.00 25.00 C ATOM 916 NZ LYS A 54 -0.076 -22.304 10.412 1.00 25.00 N ATOM 0 H LYS A 54 -0.972 -16.725 9.261 1.00 25.00 H new ATOM 0 HA LYS A 54 1.757 -17.364 9.776 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.117 -18.276 7.571 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.460 -18.972 7.888 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.789 -18.932 9.930 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.515 -20.258 8.817 1.00 25.00 H new ATOM 0 HD2 LYS A 54 1.844 -20.466 9.743 1.00 25.00 H new ATOM 0 HD3 LYS A 54 1.439 -19.245 10.934 1.00 25.00 H new ATOM 0 HE2 LYS A 54 1.141 -21.445 11.942 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -0.431 -20.691 11.766 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -0.249 -23.105 11.053 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -0.958 -22.058 9.920 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 0.648 -22.569 9.714 1.00 25.00 H new ATOM 930 N ARG A 55 0.976 -15.594 7.106 1.00 25.00 N ATOM 931 CA ARG A 55 1.511 -14.722 6.057 1.00 25.00 C ATOM 932 C ARG A 55 2.353 -13.656 6.744 1.00 25.00 C ATOM 933 O ARG A 55 3.452 -13.335 6.315 1.00 25.00 O ATOM 934 CB ARG A 55 0.378 -14.047 5.256 1.00 25.00 C ATOM 935 CG ARG A 55 -0.802 -14.959 4.863 1.00 25.00 C ATOM 936 CD ARG A 55 -0.466 -15.918 3.741 1.00 25.00 C ATOM 937 NE ARG A 55 -1.616 -16.752 3.358 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.655 -17.565 2.307 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.640 -17.718 1.502 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.747 -18.234 2.062 1.00 25.00 N ATOM 0 H ARG A 55 -0.040 -15.569 7.196 1.00 25.00 H new ATOM 0 HA ARG A 55 2.103 -15.310 5.355 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.010 -13.215 5.843 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.804 -13.624 4.346 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -1.119 -15.529 5.736 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.647 -14.340 4.562 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.124 -15.354 2.873 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.359 -16.560 4.049 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.449 -16.702 3.945 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.225 -17.203 1.668 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.711 -18.352 0.706 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.557 -18.130 2.673 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.791 -18.862 1.259 1.00 25.00 H new ATOM 954 N TRP A 56 1.835 -13.142 7.849 1.00 25.00 N ATOM 955 CA TRP A 56 2.518 -12.110 8.624 1.00 25.00 C ATOM 956 C TRP A 56 3.808 -12.599 9.297 1.00 25.00 C ATOM 957 O TRP A 56 4.749 -11.826 9.453 1.00 25.00 O ATOM 958 CB TRP A 56 1.558 -11.537 9.670 1.00 25.00 C ATOM 959 CG TRP A 56 2.006 -10.216 10.206 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.333 -9.912 11.486 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.196 -8.993 9.464 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.715 -8.608 11.612 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.663 -8.011 10.385 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.030 -8.630 8.112 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.986 -6.700 9.989 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.342 -7.308 7.713 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.824 -6.358 8.660 1.00 25.00 C ATOM 0 H TRP A 56 0.934 -13.425 8.235 1.00 25.00 H new ATOM 0 HA TRP A 56 2.821 -11.335 7.920 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.568 -11.427 9.227 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.461 -12.244 10.494 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.296 -10.615 12.305 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.994 -8.153 12.481 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.670 -9.350 7.391 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.351 -5.979 10.706 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.214 -7.016 6.681 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.066 -5.357 8.334 1.00 25.00 H new ATOM 978 N ARG A 57 3.887 -13.881 9.651 1.00 25.00 N ATOM 979 CA ARG A 57 5.124 -14.429 10.255 1.00 25.00 C ATOM 980 C ARG A 57 6.288 -14.226 9.291 1.00 25.00 C ATOM 981 O ARG A 57 7.376 -13.834 9.692 1.00 25.00 O ATOM 982 CB ARG A 57 5.043 -15.940 10.577 1.00 25.00 C ATOM 983 CG ARG A 57 3.860 -16.438 11.426 1.00 25.00 C ATOM 984 CD ARG A 57 3.610 -15.652 12.687 1.00 25.00 C ATOM 985 NE ARG A 57 2.661 -16.335 13.595 1.00 25.00 N ATOM 986 CZ ARG A 57 2.052 -15.776 14.643 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.272 -14.542 15.011 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.176 -16.464 15.318 1.00 25.00 N ATOM 0 H ARG A 57 3.131 -14.557 9.538 1.00 25.00 H new ATOM 0 HA ARG A 57 5.264 -13.894 11.194 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.026 -16.482 9.631 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.963 -16.221 11.089 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.958 -16.414 10.815 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.036 -17.480 11.693 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.555 -15.492 13.206 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.218 -14.669 12.428 1.00 25.00 H new ATOM 0 HE ARG A 57 2.455 -17.316 13.404 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.932 -13.965 14.490 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.784 -14.156 15.819 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.960 -17.423 15.044 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.706 -16.044 16.120 1.00 25.00 H new ATOM 1002 N ARG A 58 6.029 -14.471 8.011 1.00 25.00 N ATOM 1003 CA ARG A 58 7.052 -14.345 6.963 1.00 25.00 C ATOM 1004 C ARG A 58 7.582 -12.925 6.845 1.00 25.00 C ATOM 1005 O ARG A 58 8.722 -12.719 6.485 1.00 25.00 O ATOM 1006 CB ARG A 58 6.484 -14.748 5.601 1.00 25.00 C ATOM 1007 CG ARG A 58 6.039 -16.201 5.507 1.00 25.00 C ATOM 1008 CD ARG A 58 5.374 -16.471 4.161 1.00 25.00 C ATOM 1009 NE ARG A 58 6.317 -16.315 3.038 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.997 -16.372 1.748 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.771 -16.569 1.330 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.937 -16.226 0.857 1.00 25.00 N ATOM 0 H ARG A 58 5.114 -14.761 7.666 1.00 25.00 H new ATOM 0 HA ARG A 58 7.867 -15.008 7.252 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.634 -14.105 5.372 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.239 -14.562 4.837 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.898 -16.859 5.633 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.343 -16.427 6.315 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.966 -17.482 4.154 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.535 -15.788 4.028 1.00 25.00 H new ATOM 0 HE ARG A 58 7.296 -16.150 3.270 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.015 -16.686 2.004 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.573 -16.605 0.330 1.00 25.00 H new ATOM 0 HH21 ARG A 58 7.901 -16.071 1.153 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.709 -16.267 -0.136 1.00 25.00 H new ATOM 1026 N VAL A 59 6.744 -11.948 7.140 1.00 25.00 N ATOM 1027 CA VAL A 59 7.137 -10.543 7.035 1.00 25.00 C ATOM 1028 C VAL A 59 8.170 -10.209 8.097 1.00 25.00 C ATOM 1029 O VAL A 59 9.138 -9.500 7.844 1.00 25.00 O ATOM 1030 CB VAL A 59 5.906 -9.621 7.220 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.293 -8.161 7.125 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.860 -9.951 6.178 1.00 25.00 C ATOM 0 H VAL A 59 5.785 -12.095 7.455 1.00 25.00 H new ATOM 0 HA VAL A 59 7.563 -10.381 6.045 1.00 25.00 H new ATOM 0 HB VAL A 59 5.496 -9.794 8.215 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.407 -7.540 7.259 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.021 -7.926 7.901 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.730 -7.963 6.146 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.996 -9.300 6.311 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.278 -9.800 5.183 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.552 -10.991 6.288 1.00 25.00 H new ATOM 1042 N GLY A 60 7.970 -10.745 9.288 1.00 25.00 N ATOM 1043 CA GLY A 60 8.887 -10.480 10.376 1.00 25.00 C ATOM 1044 C GLY A 60 10.221 -11.145 10.121 1.00 25.00 C ATOM 1045 O GLY A 60 11.271 -10.590 10.419 1.00 25.00 O ATOM 0 H GLY A 60 7.190 -11.359 9.522 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.026 -9.405 10.488 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.465 -10.846 11.312 1.00 25.00 H new ATOM 1049 N ASP A 61 10.164 -12.322 9.519 1.00 25.00 N ATOM 1050 CA ASP A 61 11.365 -13.069 9.151 1.00 25.00 C ATOM 1051 C ASP A 61 12.126 -12.309 8.058 1.00 25.00 C ATOM 1052 O ASP A 61 13.345 -12.203 8.077 1.00 25.00 O ATOM 1053 CB ASP A 61 10.945 -14.454 8.649 1.00 25.00 C ATOM 1054 CG ASP A 61 12.095 -15.437 8.602 1.00 25.00 C ATOM 1055 OD1 ASP A 61 13.050 -15.295 9.394 1.00 25.00 O ATOM 1056 OD2 ASP A 61 11.980 -16.421 7.839 1.00 25.00 O ATOM 0 H ASP A 61 9.291 -12.788 9.271 1.00 25.00 H new ATOM 0 HA ASP A 61 12.021 -13.181 10.014 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.163 -14.848 9.298 1.00 25.00 H new ATOM 0 HB3 ASP A 61 10.514 -14.358 7.652 1.00 25.00 H new ATOM 1061 N CYS A 62 11.379 -11.705 7.143 1.00 25.00 N ATOM 1062 CA CYS A 62 11.970 -10.889 6.087 1.00 25.00 C ATOM 1063 C CYS A 62 12.679 -9.669 6.669 1.00 25.00 C ATOM 1064 O CYS A 62 13.784 -9.338 6.263 1.00 25.00 O ATOM 1065 CB CYS A 62 10.884 -10.422 5.116 1.00 25.00 C ATOM 1066 SG CYS A 62 11.356 -10.586 3.381 1.00 25.00 S ATOM 0 H CYS A 62 10.361 -11.764 7.110 1.00 25.00 H new ATOM 0 HA CYS A 62 12.701 -11.502 5.559 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.976 -10.998 5.294 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.646 -9.379 5.323 1.00 25.00 H new ATOM 0 HG CYS A 62 11.002 -9.517 2.732 1.00 25.00 H new ATOM 1072 N PHE A 63 12.059 -9.005 7.638 1.00 25.00 N ATOM 1073 CA PHE A 63 12.693 -7.845 8.267 1.00 25.00 C ATOM 1074 C PHE A 63 13.948 -8.270 9.005 1.00 25.00 C ATOM 1075 O PHE A 63 14.897 -7.511 9.082 1.00 25.00 O ATOM 1076 CB PHE A 63 11.782 -7.166 9.292 1.00 25.00 C ATOM 1077 CG PHE A 63 10.549 -6.511 8.711 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.542 -5.958 7.410 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.386 -6.408 9.499 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.386 -5.311 6.907 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.231 -5.753 9.008 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.234 -5.205 7.711 1.00 25.00 C ATOM 0 H PHE A 63 11.136 -9.241 8.002 1.00 25.00 H new ATOM 0 HA PHE A 63 12.916 -7.147 7.460 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.470 -7.908 10.027 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.359 -6.411 9.826 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.426 -6.029 6.794 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.375 -6.834 10.491 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.388 -4.900 5.908 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.349 -5.674 9.627 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.355 -4.704 7.333 1.00 25.00 H new ATOM 1092 N GLN A 64 13.937 -9.466 9.573 1.00 25.00 N ATOM 1093 CA GLN A 64 15.079 -9.968 10.331 1.00 25.00 C ATOM 1094 C GLN A 64 16.284 -10.140 9.409 1.00 25.00 C ATOM 1095 O GLN A 64 17.394 -9.730 9.740 1.00 25.00 O ATOM 1096 CB GLN A 64 14.704 -11.301 10.989 1.00 25.00 C ATOM 1097 CG GLN A 64 15.757 -11.876 11.917 1.00 25.00 C ATOM 1098 CD GLN A 64 15.285 -13.155 12.583 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.214 -13.238 13.800 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.940 -14.142 11.795 1.00 25.00 N ATOM 0 H GLN A 64 13.148 -10.111 9.525 1.00 25.00 H new ATOM 0 HA GLN A 64 15.346 -9.253 11.109 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.781 -11.164 11.552 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.495 -12.029 10.206 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.668 -12.075 11.353 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.009 -11.140 12.681 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.013 -14.036 10.783 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.598 -15.017 12.193 1.00 25.00 H new ATOM 1109 N ASP A 65 16.059 -10.710 8.238 1.00 25.00 N ATOM 1110 CA ASP A 65 17.139 -10.911 7.272 1.00 25.00 C ATOM 1111 C ASP A 65 17.605 -9.583 6.690 1.00 25.00 C ATOM 1112 O ASP A 65 18.798 -9.299 6.603 1.00 25.00 O ATOM 1113 CB ASP A 65 16.651 -11.808 6.143 1.00 25.00 C ATOM 1114 CG ASP A 65 17.784 -12.293 5.259 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.878 -12.573 5.793 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.576 -12.405 4.033 1.00 25.00 O ATOM 0 H ASP A 65 15.145 -11.042 7.929 1.00 25.00 H new ATOM 0 HA ASP A 65 17.977 -11.379 7.788 1.00 25.00 H new ATOM 0 HB2 ASP A 65 16.130 -12.667 6.565 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.928 -11.263 5.536 1.00 25.00 H new ATOM 1121 N TYR A 66 16.648 -8.736 6.343 1.00 25.00 N ATOM 1122 CA TYR A 66 16.946 -7.424 5.778 1.00 25.00 C ATOM 1123 C TYR A 66 17.697 -6.559 6.795 1.00 25.00 C ATOM 1124 O TYR A 66 18.541 -5.736 6.430 1.00 25.00 O ATOM 1125 CB TYR A 66 15.637 -6.759 5.339 1.00 25.00 C ATOM 1126 CG TYR A 66 15.787 -5.700 4.262 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.528 -5.962 3.089 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.153 -4.446 4.386 1.00 25.00 C ATOM 1129 CE1 TYR A 66 16.632 -4.991 2.062 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.262 -3.469 3.361 1.00 25.00 C ATOM 1131 CZ TYR A 66 15.996 -3.757 2.208 1.00 25.00 C ATOM 1132 OH TYR A 66 16.091 -2.832 1.200 1.00 25.00 O ATOM 0 H TYR A 66 15.652 -8.933 6.443 1.00 25.00 H new ATOM 0 HA TYR A 66 17.593 -7.537 4.908 1.00 25.00 H new ATOM 0 HB2 TYR A 66 14.958 -7.531 4.977 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.167 -6.305 6.211 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.022 -6.915 2.973 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.577 -4.226 5.273 1.00 25.00 H new ATOM 0 HE1 TYR A 66 17.201 -5.205 1.170 1.00 25.00 H new ATOM 0 HE2 TYR A 66 14.780 -2.509 3.472 1.00 25.00 H new ATOM 0 HH TYR A 66 15.415 -2.134 1.331 1.00 25.00 H new ATOM 1142 N PHE A 67 17.433 -6.785 8.076 1.00 25.00 N ATOM 1143 CA PHE A 67 18.171 -6.098 9.137 1.00 25.00 C ATOM 1144 C PHE A 67 19.603 -6.614 9.180 1.00 25.00 C ATOM 1145 O PHE A 67 20.536 -5.830 9.248 1.00 25.00 O ATOM 1146 CB PHE A 67 17.505 -6.323 10.502 1.00 25.00 C ATOM 1147 CG PHE A 67 18.195 -5.617 11.643 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.315 -6.196 12.277 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.716 -4.380 12.109 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.957 -5.538 13.354 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.343 -3.719 13.190 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.470 -4.297 13.810 1.00 25.00 C ATOM 0 H PHE A 67 16.719 -7.434 8.407 1.00 25.00 H new ATOM 0 HA PHE A 67 18.168 -5.029 8.922 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.470 -5.984 10.451 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.480 -7.392 10.711 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.687 -7.151 11.937 1.00 25.00 H new ATOM 0 HD2 PHE A 67 16.857 -3.929 11.635 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.819 -5.987 13.825 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.959 -2.772 13.541 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.957 -3.791 14.630 1.00 25.00 H new ATOM 1162 N ASN A 68 19.779 -7.927 9.127 1.00 25.00 N ATOM 1163 CA ASN A 68 21.116 -8.527 9.212 1.00 25.00 C ATOM 1164 C ASN A 68 21.979 -8.194 8.002 1.00 25.00 C ATOM 1165 O ASN A 68 23.200 -8.210 8.091 1.00 25.00 O ATOM 1166 CB ASN A 68 21.012 -10.050 9.342 1.00 25.00 C ATOM 1167 CG ASN A 68 20.610 -10.486 10.726 1.00 25.00 C ATOM 1168 OD1 ASN A 68 21.069 -9.942 11.719 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.764 -11.473 10.802 1.00 25.00 N ATOM 0 H ASN A 68 19.020 -8.601 9.026 1.00 25.00 H new ATOM 0 HA ASN A 68 21.591 -8.104 10.097 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.284 -10.424 8.621 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.972 -10.499 9.088 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.463 -11.817 11.714 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.403 -11.902 9.950 1.00 25.00 H new ATOM 1176 N THR A 69 21.344 -7.867 6.886 1.00 25.00 N ATOM 1177 CA THR A 69 22.067 -7.522 5.663 1.00 25.00 C ATOM 1178 C THR A 69 23.016 -6.331 5.876 1.00 25.00 C ATOM 1179 O THR A 69 24.136 -6.330 5.373 1.00 25.00 O ATOM 1180 CB THR A 69 21.068 -7.163 4.521 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.122 -8.223 4.345 1.00 25.00 O ATOM 1182 CG2 THR A 69 21.776 -6.964 3.189 1.00 25.00 C ATOM 0 H THR A 69 20.328 -7.832 6.799 1.00 25.00 H new ATOM 0 HA THR A 69 22.656 -8.396 5.387 1.00 25.00 H new ATOM 0 HB THR A 69 20.576 -6.236 4.815 1.00 25.00 H new ATOM 0 HG1 THR A 69 19.641 -8.375 5.185 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.043 -6.715 2.421 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.498 -6.152 3.278 1.00 25.00 H new ATOM 0 HG23 THR A 69 22.295 -7.882 2.912 1.00 25.00 H new ATOM 1190 N PHE A 70 22.543 -5.296 6.564 1.00 25.00 N ATOM 1191 CA PHE A 70 23.348 -4.080 6.778 1.00 25.00 C ATOM 1192 C PHE A 70 23.506 -3.599 8.220 1.00 25.00 C ATOM 1193 O PHE A 70 24.388 -2.799 8.518 1.00 25.00 O ATOM 1194 CB PHE A 70 22.736 -2.949 5.975 1.00 25.00 C ATOM 1195 CG PHE A 70 23.634 -2.418 4.901 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.633 -3.002 3.621 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.486 -1.328 5.157 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.472 -2.501 2.596 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.328 -0.815 4.143 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.322 -1.403 2.859 1.00 25.00 C ATOM 0 H PHE A 70 21.614 -5.267 6.984 1.00 25.00 H new ATOM 0 HA PHE A 70 24.352 -4.360 6.459 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.809 -3.298 5.521 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.473 -2.136 6.652 1.00 25.00 H new ATOM 0 HD1 PHE A 70 22.985 -3.842 3.418 1.00 25.00 H new ATOM 0 HD2 PHE A 70 24.497 -0.878 6.139 1.00 25.00 H new ATOM 0 HE1 PHE A 70 24.462 -2.956 1.617 1.00 25.00 H new ATOM 0 HE2 PHE A 70 25.974 0.025 4.350 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.964 -1.015 2.082 1.00 25.00 H new ATOM 1210 N GLY A 71 22.585 -3.988 9.087 1.00 25.00 N ATOM 1211 CA GLY A 71 22.522 -3.434 10.429 1.00 25.00 C ATOM 1212 C GLY A 71 21.342 -2.481 10.572 1.00 25.00 C ATOM 1213 O GLY A 71 20.487 -2.393 9.674 1.00 25.00 O ATOM 0 H GLY A 71 21.870 -4.686 8.884 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.432 -4.241 11.156 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.449 -2.906 10.652 1.00 25.00 H new ATOM 1217 N PRO A 72 21.256 -1.734 11.687 1.00 25.00 N ATOM 1218 CA PRO A 72 20.083 -0.888 11.952 1.00 25.00 C ATOM 1219 C PRO A 72 19.902 0.338 11.054 1.00 25.00 C ATOM 1220 O PRO A 72 18.867 0.998 11.113 1.00 25.00 O ATOM 1221 CB PRO A 72 20.295 -0.467 13.411 1.00 25.00 C ATOM 1222 CG PRO A 72 21.763 -0.458 13.573 1.00 25.00 C ATOM 1223 CD PRO A 72 22.218 -1.672 12.805 1.00 25.00 C ATOM 0 HA PRO A 72 19.170 -1.447 11.746 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.866 0.515 13.609 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.822 -1.166 14.101 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.204 0.456 13.174 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.050 -0.518 14.623 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.243 -1.565 12.450 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.185 -2.573 13.417 1.00 25.00 H new ATOM 1231 N GLU A 73 20.874 0.644 10.207 1.00 25.00 N ATOM 1232 CA GLU A 73 20.719 1.767 9.281 1.00 25.00 C ATOM 1233 C GLU A 73 19.765 1.407 8.139 1.00 25.00 C ATOM 1234 O GLU A 73 19.111 2.283 7.548 1.00 25.00 O ATOM 1235 CB GLU A 73 22.073 2.218 8.718 1.00 25.00 C ATOM 1236 CG GLU A 73 22.807 1.179 7.874 1.00 25.00 C ATOM 1237 CD GLU A 73 23.990 1.790 7.148 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.754 2.530 6.160 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.139 1.562 7.566 1.00 25.00 O ATOM 0 H GLU A 73 21.761 0.146 10.138 1.00 25.00 H new ATOM 0 HA GLU A 73 20.291 2.597 9.844 1.00 25.00 H new ATOM 0 HB2 GLU A 73 21.917 3.110 8.112 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.716 2.506 9.550 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.151 0.366 8.513 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.118 0.745 7.149 1.00 25.00 H new ATOM 1246 N LYS A 74 19.660 0.120 7.835 1.00 25.00 N ATOM 1247 CA LYS A 74 18.776 -0.324 6.765 1.00 25.00 C ATOM 1248 C LYS A 74 17.372 -0.484 7.288 1.00 25.00 C ATOM 1249 O LYS A 74 16.425 0.021 6.681 1.00 25.00 O ATOM 1250 CB LYS A 74 19.256 -1.651 6.185 1.00 25.00 C ATOM 1251 CG LYS A 74 19.756 -1.556 4.742 1.00 25.00 C ATOM 1252 CD LYS A 74 18.659 -1.180 3.754 1.00 25.00 C ATOM 1253 CE LYS A 74 19.199 -1.250 2.333 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.182 -0.794 1.340 1.00 25.00 N ATOM 0 H LYS A 74 20.169 -0.627 8.307 1.00 25.00 H new ATOM 0 HA LYS A 74 18.788 0.430 5.978 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.058 -2.040 6.812 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.439 -2.371 6.229 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.555 -0.816 4.688 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.188 -2.513 4.450 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.811 -1.855 3.864 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.295 -0.174 3.966 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.093 -0.631 2.251 1.00 25.00 H new ATOM 0 HE3 LYS A 74 19.498 -2.273 2.106 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 18.629 -0.692 0.407 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.415 -1.494 1.282 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.792 0.122 1.639 1.00 25.00 H new ATOM 1268 N VAL A 75 17.243 -1.172 8.414 1.00 25.00 N ATOM 1269 CA VAL A 75 15.940 -1.413 9.025 1.00 25.00 C ATOM 1270 C VAL A 75 15.980 -0.898 10.459 1.00 25.00 C ATOM 1271 O VAL A 75 16.871 -1.260 11.220 1.00 25.00 O ATOM 1272 CB VAL A 75 15.646 -2.950 9.060 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.256 -3.246 9.645 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.760 -3.543 7.666 1.00 25.00 C ATOM 0 H VAL A 75 18.028 -1.575 8.926 1.00 25.00 H new ATOM 0 HA VAL A 75 15.166 -0.906 8.449 1.00 25.00 H new ATOM 0 HB VAL A 75 16.390 -3.413 9.709 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.087 -4.323 9.654 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.201 -2.862 10.664 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.494 -2.764 9.033 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.553 -4.612 7.707 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.041 -3.059 7.005 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.768 -3.383 7.284 1.00 25.00 H new ATOM 1284 N PRO A 76 14.982 -0.101 10.874 1.00 25.00 N ATOM 1285 CA PRO A 76 15.048 0.313 12.277 1.00 25.00 C ATOM 1286 C PRO A 76 14.587 -0.791 13.213 1.00 25.00 C ATOM 1287 O PRO A 76 13.732 -1.591 12.859 1.00 25.00 O ATOM 1288 CB PRO A 76 14.084 1.494 12.326 1.00 25.00 C ATOM 1289 CG PRO A 76 13.065 1.186 11.290 1.00 25.00 C ATOM 1290 CD PRO A 76 13.814 0.481 10.182 1.00 25.00 C ATOM 0 HA PRO A 76 16.061 0.556 12.597 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.630 1.595 13.312 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.595 2.433 12.113 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.274 0.553 11.693 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.590 2.096 10.925 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.203 -0.288 9.710 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.116 1.174 9.397 1.00 25.00 H new ATOM 1298 N VAL A 77 15.071 -0.789 14.444 1.00 25.00 N ATOM 1299 CA VAL A 77 14.615 -1.776 15.422 1.00 25.00 C ATOM 1300 C VAL A 77 13.133 -1.563 15.763 1.00 25.00 C ATOM 1301 O VAL A 77 12.441 -2.489 16.179 1.00 25.00 O ATOM 1302 CB VAL A 77 15.483 -1.747 16.714 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.930 -2.152 16.387 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.470 -0.352 17.372 1.00 25.00 C ATOM 0 H VAL A 77 15.768 -0.129 14.791 1.00 25.00 H new ATOM 0 HA VAL A 77 14.728 -2.761 14.969 1.00 25.00 H new ATOM 0 HB VAL A 77 15.054 -2.459 17.419 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.529 -2.129 17.297 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.941 -3.160 15.971 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.347 -1.455 15.660 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.086 -0.368 18.271 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.868 0.384 16.673 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.447 -0.085 17.638 1.00 25.00 H new ATOM 1314 N THR A 78 12.617 -0.363 15.515 1.00 25.00 N ATOM 1315 CA THR A 78 11.199 -0.097 15.759 1.00 25.00 C ATOM 1316 C THR A 78 10.327 -0.791 14.725 1.00 25.00 C ATOM 1317 O THR A 78 9.151 -1.000 14.965 1.00 25.00 O ATOM 1318 CB THR A 78 10.864 1.423 15.790 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.644 1.623 16.505 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.704 2.018 14.411 1.00 25.00 C ATOM 0 H THR A 78 13.146 0.430 15.152 1.00 25.00 H new ATOM 0 HA THR A 78 10.983 -0.501 16.748 1.00 25.00 H new ATOM 0 HB THR A 78 11.703 1.921 16.277 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.006 0.918 16.267 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.471 3.079 14.497 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.631 1.894 13.851 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.894 1.510 13.888 1.00 25.00 H new ATOM 1328 N ALA A 79 10.893 -1.197 13.594 1.00 25.00 N ATOM 1329 CA ALA A 79 10.104 -1.905 12.591 1.00 25.00 C ATOM 1330 C ALA A 79 9.564 -3.210 13.177 1.00 25.00 C ATOM 1331 O ALA A 79 8.439 -3.593 12.899 1.00 25.00 O ATOM 1332 CB ALA A 79 10.940 -2.179 11.354 1.00 25.00 C ATOM 0 H ALA A 79 11.873 -1.053 13.351 1.00 25.00 H new ATOM 0 HA ALA A 79 9.261 -1.278 12.299 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.336 -2.708 10.616 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.285 -1.235 10.932 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.800 -2.791 11.625 1.00 25.00 H new ATOM 1338 N PHE A 80 10.348 -3.861 14.024 1.00 25.00 N ATOM 1339 CA PHE A 80 9.914 -5.100 14.667 1.00 25.00 C ATOM 1340 C PHE A 80 8.862 -4.824 15.740 1.00 25.00 C ATOM 1341 O PHE A 80 7.973 -5.636 15.981 1.00 25.00 O ATOM 1342 CB PHE A 80 11.115 -5.806 15.294 1.00 25.00 C ATOM 1343 CG PHE A 80 12.190 -6.146 14.302 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.100 -7.317 13.527 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.300 -5.296 14.131 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.106 -7.640 12.591 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.307 -5.602 13.190 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.209 -6.778 12.416 1.00 25.00 C ATOM 0 H PHE A 80 11.286 -3.556 14.284 1.00 25.00 H new ATOM 0 HA PHE A 80 9.468 -5.740 13.906 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.536 -5.169 16.072 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.776 -6.721 15.780 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.253 -7.975 13.650 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.382 -4.399 14.727 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.031 -8.547 12.009 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.150 -4.938 13.063 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.975 -7.017 11.693 1.00 25.00 H new ATOM 1358 N SER A 81 8.946 -3.661 16.365 1.00 25.00 N ATOM 1359 CA SER A 81 7.967 -3.267 17.382 1.00 25.00 C ATOM 1360 C SER A 81 6.638 -2.978 16.691 1.00 25.00 C ATOM 1361 O SER A 81 5.585 -3.460 17.102 1.00 25.00 O ATOM 1362 CB SER A 81 8.449 -2.025 18.138 1.00 25.00 C ATOM 1363 OG SER A 81 7.548 -1.685 19.175 1.00 25.00 O ATOM 0 H SER A 81 9.677 -2.971 16.192 1.00 25.00 H new ATOM 0 HA SER A 81 7.844 -4.075 18.103 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.438 -2.210 18.556 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.547 -1.188 17.446 1.00 25.00 H new ATOM 0 HG SER A 81 7.876 -0.890 19.646 1.00 25.00 H new ATOM 1369 N TYR A 82 6.710 -2.256 15.583 1.00 25.00 N ATOM 1370 CA TYR A 82 5.538 -1.965 14.771 1.00 25.00 C ATOM 1371 C TYR A 82 4.943 -3.257 14.235 1.00 25.00 C ATOM 1372 O TYR A 82 3.735 -3.450 14.269 1.00 25.00 O ATOM 1373 CB TYR A 82 5.925 -1.061 13.602 1.00 25.00 C ATOM 1374 CG TYR A 82 5.667 0.400 13.870 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.385 0.935 13.657 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.689 1.261 14.337 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.119 2.305 13.889 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.425 2.644 14.566 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.136 3.150 14.331 1.00 25.00 C ATOM 1380 OH TYR A 82 4.824 4.471 14.521 1.00 25.00 O ATOM 0 H TYR A 82 7.577 -1.857 15.223 1.00 25.00 H new ATOM 0 HA TYR A 82 4.799 -1.458 15.391 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.982 -1.201 13.377 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.368 -1.365 12.716 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.591 0.290 13.311 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.678 0.867 14.522 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.126 2.697 13.723 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.210 3.297 14.917 1.00 25.00 H new ATOM 0 HH TYR A 82 5.381 5.026 13.936 1.00 25.00 H new ATOM 1390 N TRP A 83 5.799 -4.156 13.776 1.00 25.00 N ATOM 1391 CA TRP A 83 5.365 -5.446 13.249 1.00 25.00 C ATOM 1392 C TRP A 83 4.568 -6.222 14.290 1.00 25.00 C ATOM 1393 O TRP A 83 3.563 -6.858 13.969 1.00 25.00 O ATOM 1394 CB TRP A 83 6.592 -6.265 12.831 1.00 25.00 C ATOM 1395 CG TRP A 83 6.261 -7.634 12.330 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.940 -7.993 11.064 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.222 -8.860 13.094 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.687 -9.328 10.969 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.852 -9.900 12.197 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.464 -9.185 14.446 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.720 -11.240 12.608 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.347 -10.533 14.860 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.973 -11.547 13.931 1.00 25.00 C ATOM 0 H TRP A 83 6.809 -4.016 13.757 1.00 25.00 H new ATOM 0 HA TRP A 83 4.723 -5.268 12.386 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.131 -5.724 12.053 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.266 -6.353 13.683 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.891 -7.306 10.233 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.418 -9.821 10.117 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.735 -8.416 15.154 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.428 -12.008 11.907 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.543 -10.796 15.889 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.886 -12.570 14.266 1.00 25.00 H new ATOM 1414 N ASN A 84 4.996 -6.147 15.542 1.00 25.00 N ATOM 1415 CA ASN A 84 4.316 -6.844 16.631 1.00 25.00 C ATOM 1416 C ASN A 84 2.921 -6.277 16.905 1.00 25.00 C ATOM 1417 O ASN A 84 2.050 -7.001 17.379 1.00 25.00 O ATOM 1418 CB ASN A 84 5.155 -6.786 17.909 1.00 25.00 C ATOM 1419 CG ASN A 84 6.055 -7.986 18.063 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.603 -9.070 18.410 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.317 -7.812 17.798 1.00 25.00 N ATOM 0 H ASN A 84 5.813 -5.610 15.832 1.00 25.00 H new ATOM 0 HA ASN A 84 4.196 -7.881 16.316 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.761 -5.880 17.901 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.493 -6.719 18.772 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.967 -8.594 17.877 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.656 -6.894 17.512 1.00 25.00 H new ATOM 1428 N LEU A 85 2.692 -5.012 16.577 1.00 25.00 N ATOM 1429 CA LEU A 85 1.378 -4.399 16.783 1.00 25.00 C ATOM 1430 C LEU A 85 0.380 -4.985 15.788 1.00 25.00 C ATOM 1431 O LEU A 85 -0.759 -5.277 16.125 1.00 25.00 O ATOM 1432 CB LEU A 85 1.476 -2.875 16.620 1.00 25.00 C ATOM 1433 CG LEU A 85 0.209 -2.080 16.980 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.598 -0.772 17.672 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.628 -1.764 15.730 1.00 25.00 C ATOM 0 H LEU A 85 3.391 -4.391 16.170 1.00 25.00 H new ATOM 0 HA LEU A 85 1.032 -4.613 17.794 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.297 -2.514 17.240 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.738 -2.655 15.585 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.392 -2.693 17.651 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.303 -0.212 17.925 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.155 -0.994 18.582 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.219 -0.177 17.002 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.516 -1.202 16.019 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.034 -1.171 15.034 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.929 -2.695 15.249 1.00 25.00 H new ATOM 1447 N ILE A 86 0.815 -5.189 14.556 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.067 -5.778 13.551 1.00 25.00 C ATOM 1449 C ILE A 86 -0.173 -7.285 13.805 1.00 25.00 C ATOM 1450 O ILE A 86 -1.203 -7.906 13.550 1.00 25.00 O ATOM 1451 CB ILE A 86 0.425 -5.502 12.122 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.476 -3.986 11.872 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.512 -6.144 11.089 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.855 -3.487 11.545 1.00 25.00 C ATOM 0 H ILE A 86 1.754 -4.962 14.227 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.051 -5.317 13.639 1.00 25.00 H new ATOM 0 HB ILE A 86 1.421 -5.933 12.017 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.198 -3.736 11.052 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.108 -3.466 12.756 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.144 -5.935 10.085 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.544 -7.222 11.247 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.515 -5.731 11.201 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.823 -2.410 11.380 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.528 -3.707 12.374 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.217 -3.982 10.644 1.00 25.00 H new ATOM 1466 N LYS A 87 0.880 -7.861 14.366 1.00 25.00 N ATOM 1467 CA LYS A 87 0.890 -9.282 14.699 1.00 25.00 C ATOM 1468 C LYS A 87 -0.253 -9.600 15.648 1.00 25.00 C ATOM 1469 O LYS A 87 -1.046 -10.483 15.377 1.00 25.00 O ATOM 1470 CB LYS A 87 2.226 -9.645 15.349 1.00 25.00 C ATOM 1471 CG LYS A 87 2.429 -11.104 15.645 1.00 25.00 C ATOM 1472 CD LYS A 87 3.565 -11.259 16.647 1.00 25.00 C ATOM 1473 CE LYS A 87 3.034 -11.409 18.075 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.164 -11.454 19.069 1.00 25.00 N ATOM 0 H LYS A 87 1.741 -7.367 14.601 1.00 25.00 H new ATOM 0 HA LYS A 87 0.763 -9.867 13.788 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.031 -9.310 14.695 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.320 -9.087 16.281 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.513 -11.537 16.046 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.661 -11.644 14.727 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.165 -12.131 16.387 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.222 -10.391 16.591 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.371 -10.576 18.310 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.440 -12.320 18.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.777 -11.471 20.034 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.733 -12.310 18.909 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.764 -10.613 18.951 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.353 -8.869 16.745 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.414 -9.129 17.716 1.00 25.00 C ATOM 1490 C GLU A 88 -2.791 -8.769 17.147 1.00 25.00 C ATOM 1491 O GLU A 88 -3.780 -9.419 17.477 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.131 -8.400 19.036 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.062 -6.893 18.917 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.519 -6.229 20.162 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.610 -6.809 21.260 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.063 -5.070 20.057 1.00 25.00 O ATOM 0 H GLU A 88 0.274 -8.102 16.988 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.428 -10.198 17.927 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.909 -8.660 19.754 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.187 -8.764 19.442 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.433 -6.629 18.067 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.059 -6.504 18.709 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.848 -7.801 16.235 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.084 -7.458 15.558 1.00 25.00 C ATOM 1505 C LEU A 89 -4.642 -8.652 14.789 1.00 25.00 C ATOM 1506 O LEU A 89 -5.815 -8.980 14.914 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.835 -6.299 14.589 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.602 -5.030 14.943 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.996 -4.248 16.102 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.701 -4.126 13.711 1.00 25.00 C ATOM 0 H LEU A 89 -2.044 -7.241 15.951 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.814 -7.163 16.312 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.768 -6.075 14.570 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.113 -6.612 13.583 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.591 -5.351 15.270 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.597 -3.359 16.295 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.978 -4.874 16.994 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -2.979 -3.950 15.848 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.250 -3.220 13.968 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.699 -3.860 13.373 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.224 -4.654 12.914 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.808 -9.298 13.987 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.272 -10.416 13.168 1.00 25.00 C ATOM 1524 C ILE A 90 -4.443 -11.674 14.035 1.00 25.00 C ATOM 1525 O ILE A 90 -5.408 -12.419 13.861 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.303 -10.722 11.984 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.063 -9.474 11.109 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.885 -11.843 11.089 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.833 -9.611 10.174 1.00 25.00 C ATOM 0 H ILE A 90 -2.818 -9.074 13.884 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.233 -10.126 12.743 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.355 -11.038 12.419 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.951 -9.285 10.506 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.926 -8.606 11.755 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.198 -12.046 10.267 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.020 -12.748 11.681 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.847 -11.525 10.688 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.720 -8.700 9.586 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.936 -9.770 10.773 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.977 -10.459 9.505 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.544 -11.886 14.995 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.615 -13.056 15.897 1.00 25.00 C ATOM 1543 C ASP A 91 -4.943 -13.052 16.664 1.00 25.00 C ATOM 1544 O ASP A 91 -5.455 -14.106 17.035 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.455 -13.053 16.920 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.294 -13.991 16.528 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.554 -15.167 16.192 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.105 -13.576 16.626 1.00 25.00 O ATOM 0 H ASP A 91 -2.753 -11.267 15.176 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.539 -13.950 15.277 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -2.073 -12.037 17.023 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.839 -13.350 17.896 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.508 -11.869 16.887 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.789 -11.743 17.593 1.00 25.00 C ATOM 1555 C LYS A 92 -7.877 -11.081 16.756 1.00 25.00 C ATOM 1556 O LYS A 92 -8.805 -10.492 17.306 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.586 -10.969 18.908 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.660 -11.669 19.910 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.252 -13.005 20.374 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.374 -13.675 21.409 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.947 -15.020 21.766 1.00 25.00 N ATOM 0 H LYS A 92 -5.103 -10.981 16.591 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.134 -12.755 17.802 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.178 -9.985 18.678 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.557 -10.810 19.377 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.686 -11.840 19.451 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.497 -11.022 20.772 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.245 -12.838 20.792 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.374 -13.667 19.517 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.362 -13.791 21.021 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.304 -13.051 22.300 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.342 -15.478 22.477 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.904 -14.898 22.153 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.992 -15.615 20.915 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.820 -11.228 15.436 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.864 -10.657 14.564 1.00 25.00 C ATOM 1577 C LYS A 93 -10.217 -11.315 14.827 1.00 25.00 C ATOM 1578 O LYS A 93 -11.256 -10.752 14.543 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.489 -10.798 13.078 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.507 -12.235 12.536 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.028 -12.269 11.089 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.979 -13.693 10.527 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.353 -14.290 10.354 1.00 25.00 N ATOM 0 H LYS A 93 -7.079 -11.727 14.944 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.940 -9.596 14.800 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.177 -10.194 12.487 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.492 -10.382 12.930 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.869 -12.869 13.151 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.517 -12.641 12.600 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.692 -11.661 10.474 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.036 -11.821 11.026 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.466 -13.684 9.565 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.393 -14.324 11.195 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.267 -15.253 9.971 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.835 -14.325 11.275 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.906 -13.704 9.696 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.172 -12.511 15.393 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.365 -13.298 15.702 1.00 25.00 C ATOM 1599 C GLU A 94 -12.300 -12.604 16.691 1.00 25.00 C ATOM 1600 O GLU A 94 -13.513 -12.624 16.534 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.888 -14.621 16.298 1.00 25.00 C ATOM 1602 CG GLU A 94 -11.979 -15.605 16.630 1.00 25.00 C ATOM 1603 CD GLU A 94 -11.404 -16.899 17.183 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.498 -17.469 16.532 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -11.797 -17.306 18.294 1.00 25.00 O ATOM 0 H GLU A 94 -9.300 -12.971 15.655 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.938 -13.438 14.785 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.199 -15.090 15.596 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.323 -14.409 17.206 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -12.659 -15.165 17.360 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -12.565 -15.817 15.736 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.718 -11.986 17.704 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.490 -11.333 18.767 1.00 25.00 C ATOM 1614 C VAL A 95 -12.486 -9.818 18.590 1.00 25.00 C ATOM 1615 O VAL A 95 -12.960 -9.074 19.440 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.937 -11.719 20.174 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.095 -13.233 20.407 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.452 -11.327 20.323 1.00 25.00 C ATOM 0 H VAL A 95 -10.707 -11.918 17.820 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.520 -11.684 18.696 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.513 -11.170 20.919 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.706 -13.492 21.392 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.150 -13.502 20.351 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.541 -13.778 19.643 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.099 -11.610 21.315 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.862 -11.844 19.566 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.345 -10.250 20.194 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.955 -9.370 17.463 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.903 -7.948 17.132 1.00 25.00 C ATOM 1630 C ASN A 96 -12.530 -7.734 15.753 1.00 25.00 C ATOM 1631 O ASN A 96 -11.820 -7.671 14.744 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.455 -7.451 17.121 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.914 -7.210 18.503 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.186 -6.190 19.113 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.117 -8.116 18.986 1.00 25.00 N ATOM 0 H ASN A 96 -11.548 -9.977 16.752 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.456 -7.386 17.885 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.828 -8.183 16.612 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.397 -6.527 16.546 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.695 -7.986 19.906 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.913 -8.957 18.445 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.866 -7.604 15.678 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.453 -7.447 14.340 1.00 25.00 C ATOM 1644 C PRO A 97 -14.081 -6.130 13.653 1.00 25.00 C ATOM 1645 O PRO A 97 -14.067 -6.048 12.427 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.958 -7.533 14.615 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.104 -7.040 16.013 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.905 -7.609 16.727 1.00 25.00 C ATOM 0 HA PRO A 97 -14.085 -8.202 13.645 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.526 -6.920 13.915 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.324 -8.555 14.513 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -16.113 -5.951 16.053 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -17.036 -7.383 16.462 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.618 -6.999 17.584 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.097 -8.615 17.101 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.709 -5.121 14.430 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.266 -3.850 13.870 1.00 25.00 C ATOM 1658 C GLN A 98 -11.916 -4.032 13.180 1.00 25.00 C ATOM 1659 O GLN A 98 -11.587 -3.315 12.258 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.202 -2.745 14.954 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.916 -2.675 15.833 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.810 -3.776 16.884 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.589 -4.714 16.910 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -10.833 -3.664 17.738 1.00 25.00 N ATOM 0 H GLN A 98 -13.705 -5.158 15.449 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.995 -3.524 13.128 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.325 -1.781 14.460 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -14.057 -2.874 15.618 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -11.043 -2.725 15.182 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.885 -1.707 16.334 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -10.200 -2.866 17.687 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -10.701 -4.374 18.458 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.154 -5.029 13.602 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.884 -5.341 12.956 1.00 25.00 C ATOM 1675 C VAL A 99 -10.156 -6.215 11.749 1.00 25.00 C ATOM 1676 O VAL A 99 -9.602 -6.006 10.680 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.941 -6.103 13.918 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.788 -6.744 13.160 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.432 -5.155 15.002 1.00 25.00 C ATOM 0 H VAL A 99 -11.390 -5.636 14.387 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.403 -4.408 12.664 1.00 25.00 H new ATOM 0 HB VAL A 99 -9.501 -6.907 14.395 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.141 -7.273 13.860 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.181 -7.448 12.427 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.214 -5.971 12.649 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.769 -5.696 15.677 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.887 -4.333 14.539 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -9.277 -4.759 15.565 1.00 25.00 H new ATOM 1689 N MET A 100 -11.019 -7.200 11.918 1.00 25.00 N ATOM 1690 CA MET A 100 -11.309 -8.151 10.856 1.00 25.00 C ATOM 1691 C MET A 100 -11.930 -7.470 9.622 1.00 25.00 C ATOM 1692 O MET A 100 -11.707 -7.892 8.491 1.00 25.00 O ATOM 1693 CB MET A 100 -12.219 -9.232 11.411 1.00 25.00 C ATOM 1694 CG MET A 100 -12.380 -10.444 10.504 1.00 25.00 C ATOM 1695 SD MET A 100 -14.102 -10.888 10.233 1.00 25.00 S ATOM 1696 CE MET A 100 -14.551 -9.764 8.892 1.00 25.00 C ATOM 0 H MET A 100 -11.534 -7.364 12.783 1.00 25.00 H new ATOM 0 HA MET A 100 -10.375 -8.597 10.514 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.826 -9.562 12.373 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.202 -8.801 11.599 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.907 -10.239 9.544 1.00 25.00 H new ATOM 0 HG3 MET A 100 -11.855 -11.293 10.943 1.00 25.00 H new ATOM 0 HE1 MET A 100 -15.577 -9.961 8.581 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.468 -8.734 9.238 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.880 -9.919 8.047 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.631 -6.363 9.826 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.147 -5.578 8.705 1.00 25.00 C ATOM 1708 C ALA A 101 -11.995 -5.018 7.846 1.00 25.00 C ATOM 1709 O ALA A 101 -12.102 -4.930 6.625 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.020 -4.439 9.233 1.00 25.00 C ATOM 0 H ALA A 101 -12.856 -5.988 10.748 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.750 -6.229 8.072 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.403 -3.856 8.396 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.855 -4.853 9.799 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.425 -3.795 9.881 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.892 -4.652 8.488 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.723 -4.140 7.785 1.00 25.00 C ATOM 1718 C ALA A 102 -8.973 -5.292 7.132 1.00 25.00 C ATOM 1719 O ALA A 102 -8.407 -5.130 6.069 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.799 -3.404 8.754 1.00 25.00 C ATOM 0 H ALA A 102 -10.783 -4.701 9.501 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.053 -3.440 7.017 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.930 -3.028 8.214 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.335 -2.569 9.205 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.471 -4.089 9.535 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.983 -6.452 7.775 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.316 -7.646 7.243 1.00 25.00 C ATOM 1728 C VAL A 103 -8.881 -7.938 5.860 1.00 25.00 C ATOM 1729 O VAL A 103 -8.133 -8.042 4.893 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.532 -8.867 8.206 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.139 -10.202 7.576 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.743 -8.652 9.508 1.00 25.00 C ATOM 0 H VAL A 103 -9.447 -6.598 8.672 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.243 -7.472 7.168 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.600 -8.918 8.417 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.311 -11.006 8.291 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.741 -10.374 6.684 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.084 -10.179 7.303 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.897 -9.503 10.172 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.681 -8.558 9.279 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.090 -7.742 9.998 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.201 -8.010 5.763 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.855 -8.315 4.496 1.00 25.00 C ATOM 1744 C ALA A 104 -10.627 -7.201 3.465 1.00 25.00 C ATOM 1745 O ALA A 104 -10.351 -7.465 2.301 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.349 -8.532 4.735 1.00 25.00 C ATOM 0 H ALA A 104 -10.840 -7.862 6.544 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.418 -9.227 4.089 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.839 -8.760 3.789 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.490 -9.363 5.426 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.784 -7.628 5.161 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.723 -5.952 3.901 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.511 -4.822 2.997 1.00 25.00 C ATOM 1754 C GLN A 105 -9.091 -4.793 2.444 1.00 25.00 C ATOM 1755 O GLN A 105 -8.874 -4.438 1.293 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.784 -3.503 3.720 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.242 -3.088 3.665 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.453 -1.667 4.137 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.035 -0.713 3.486 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.109 -1.514 5.254 1.00 25.00 N ATOM 0 H GLN A 105 -10.943 -5.694 4.863 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.205 -4.947 2.166 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.477 -3.596 4.762 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.172 -2.718 3.276 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.607 -3.187 2.643 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.834 -3.765 4.282 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.441 -2.331 5.767 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.290 -0.577 5.615 1.00 25.00 H new ATOM 1769 N THR A 106 -8.114 -5.150 3.258 1.00 25.00 N ATOM 1770 CA THR A 106 -6.732 -5.104 2.810 1.00 25.00 C ATOM 1771 C THR A 106 -6.483 -6.182 1.756 1.00 25.00 C ATOM 1772 O THR A 106 -5.786 -5.934 0.789 1.00 25.00 O ATOM 1773 CB THR A 106 -5.745 -5.242 3.984 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.110 -4.334 5.020 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.342 -4.882 3.570 1.00 25.00 C ATOM 0 H THR A 106 -8.247 -5.470 4.217 1.00 25.00 H new ATOM 0 HA THR A 106 -6.558 -4.127 2.360 1.00 25.00 H new ATOM 0 HB THR A 106 -5.782 -6.279 4.317 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.745 -4.768 5.627 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.672 -4.991 4.423 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.018 -5.545 2.767 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.319 -3.850 3.220 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.109 -7.343 1.894 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.015 -8.388 0.861 1.00 25.00 C ATOM 1785 C GLU A 107 -7.546 -7.902 -0.498 1.00 25.00 C ATOM 1786 O GLU A 107 -6.935 -8.189 -1.532 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.766 -9.653 1.300 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.116 -10.313 2.501 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.786 -11.600 2.949 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -9.029 -11.659 3.027 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.036 -12.535 3.328 1.00 25.00 O ATOM 0 H GLU A 107 -7.684 -7.592 2.699 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.958 -8.625 0.739 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.797 -9.397 1.542 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.799 -10.361 0.472 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.073 -10.524 2.264 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.118 -9.608 3.333 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.623 -7.116 -0.505 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.143 -6.541 -1.761 1.00 25.00 C ATOM 1800 C GLU A 108 -8.067 -5.662 -2.391 1.00 25.00 C ATOM 1801 O GLU A 108 -7.776 -5.726 -3.590 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.352 -5.609 -1.520 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.605 -6.215 -0.919 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.696 -5.145 -0.741 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.474 -4.170 0.022 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.745 -5.234 -1.413 1.00 25.00 O ATOM 0 H GLU A 108 -9.151 -6.861 0.329 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.436 -7.380 -2.392 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.026 -4.800 -0.867 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -10.623 -5.159 -2.475 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.974 -7.013 -1.563 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.370 -6.666 0.045 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.523 -4.791 -1.557 1.00 25.00 N ATOM 1814 CA ILE A 109 -6.585 -3.767 -1.991 1.00 25.00 C ATOM 1815 C ILE A 109 -5.284 -4.392 -2.467 1.00 25.00 C ATOM 1816 O ILE A 109 -4.742 -3.966 -3.467 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.342 -2.748 -0.831 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.664 -1.989 -0.558 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.191 -1.746 -1.170 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.755 -1.324 0.808 1.00 25.00 C ATOM 0 H ILE A 109 -7.720 -4.774 -0.556 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.012 -3.228 -2.837 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.031 -3.293 0.060 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -7.792 -1.226 -1.326 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.494 -2.688 -0.661 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.054 -1.055 -0.338 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.266 -2.298 -1.340 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -5.449 -1.186 -2.069 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.716 -0.819 0.903 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.663 -2.080 1.588 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.951 -0.596 0.913 1.00 25.00 H new ATOM 1832 N LEU A 110 -4.799 -5.421 -1.791 1.00 25.00 N ATOM 1833 CA LEU A 110 -3.521 -6.044 -2.154 1.00 25.00 C ATOM 1834 C LEU A 110 -3.512 -6.595 -3.569 1.00 25.00 C ATOM 1835 O LEU A 110 -2.510 -6.475 -4.272 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.188 -7.175 -1.179 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.090 -6.857 -0.152 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.396 -5.605 0.637 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -1.919 -8.040 0.802 1.00 25.00 C ATOM 0 H LEU A 110 -5.264 -5.847 -0.989 1.00 25.00 H new ATOM 0 HA LEU A 110 -2.769 -5.257 -2.099 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.096 -7.448 -0.642 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.882 -8.049 -1.754 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.165 -6.682 -0.701 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.593 -5.419 1.350 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.480 -4.758 -0.043 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.336 -5.734 1.174 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.140 -7.811 1.529 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -2.858 -8.226 1.323 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.637 -8.927 0.235 1.00 25.00 H new ATOM 1851 N LYS A 111 -4.623 -7.173 -4.004 1.00 25.00 N ATOM 1852 CA LYS A 111 -4.694 -7.727 -5.358 1.00 25.00 C ATOM 1853 C LYS A 111 -4.645 -6.633 -6.419 1.00 25.00 C ATOM 1854 O LYS A 111 -4.119 -6.855 -7.499 1.00 25.00 O ATOM 1855 CB LYS A 111 -5.961 -8.572 -5.532 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.014 -9.834 -4.650 1.00 25.00 C ATOM 1857 CD LYS A 111 -4.839 -10.778 -4.926 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.005 -12.102 -4.192 1.00 25.00 C ATOM 1859 NZ LYS A 111 -3.777 -12.964 -4.356 1.00 25.00 N ATOM 0 H LYS A 111 -5.476 -7.272 -3.454 1.00 25.00 H new ATOM 0 HA LYS A 111 -3.820 -8.365 -5.493 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -6.829 -7.952 -5.309 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -6.042 -8.871 -6.577 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.006 -9.543 -3.600 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.952 -10.361 -4.827 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -4.762 -10.962 -5.998 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -3.908 -10.303 -4.616 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.185 -11.916 -3.133 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.878 -12.629 -4.576 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -4.006 -13.785 -4.952 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -3.021 -12.410 -4.807 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -3.456 -13.292 -3.423 1.00 25.00 H new ATOM 1873 N SER A 112 -5.159 -5.453 -6.105 1.00 25.00 N ATOM 1874 CA SER A 112 -5.112 -4.326 -7.042 1.00 25.00 C ATOM 1875 C SER A 112 -3.766 -3.603 -6.954 1.00 25.00 C ATOM 1876 O SER A 112 -3.209 -3.176 -7.954 1.00 25.00 O ATOM 1877 CB SER A 112 -6.234 -3.335 -6.726 1.00 25.00 C ATOM 1878 OG SER A 112 -6.295 -2.307 -7.702 1.00 25.00 O ATOM 0 H SER A 112 -5.612 -5.245 -5.215 1.00 25.00 H new ATOM 0 HA SER A 112 -5.239 -4.719 -8.051 1.00 25.00 H new ATOM 0 HB2 SER A 112 -7.188 -3.861 -6.687 1.00 25.00 H new ATOM 0 HB3 SER A 112 -6.071 -2.897 -5.741 1.00 25.00 H new ATOM 0 HG SER A 112 -7.021 -1.687 -7.479 1.00 25.00 H new ATOM 1884 N ASN A 113 -3.263 -3.470 -5.735 1.00 25.00 N ATOM 1885 CA ASN A 113 -2.011 -2.768 -5.447 1.00 25.00 C ATOM 1886 C ASN A 113 -0.827 -3.468 -6.103 1.00 25.00 C ATOM 1887 O ASN A 113 0.169 -2.825 -6.472 1.00 25.00 O ATOM 1888 CB ASN A 113 -1.821 -2.730 -3.925 1.00 25.00 C ATOM 1889 CG ASN A 113 -0.707 -1.827 -3.498 1.00 25.00 C ATOM 1890 OD1 ASN A 113 0.415 -2.263 -3.279 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -1.014 -0.583 -3.317 1.00 25.00 N ATOM 0 H ASN A 113 -3.716 -3.850 -4.904 1.00 25.00 H new ATOM 0 HA ASN A 113 -2.061 -1.757 -5.851 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.748 -2.400 -3.457 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.622 -3.739 -3.564 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -0.309 0.073 -2.980 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -1.961 -0.258 -3.511 1.00 25.00 H new ATOM 1898 N SER A 114 -0.976 -4.779 -6.280 1.00 25.00 N ATOM 1899 CA SER A 114 -0.022 -5.623 -6.945 1.00 25.00 C ATOM 1900 C SER A 114 1.379 -5.533 -6.366 1.00 25.00 C ATOM 1901 O SER A 114 1.634 -4.900 -5.344 1.00 25.00 O ATOM 1902 CB SER A 114 -0.026 -5.288 -8.431 1.00 25.00 C ATOM 1903 OG SER A 114 -1.351 -5.243 -8.928 1.00 25.00 O ATOM 0 H SER A 114 -1.796 -5.287 -5.948 1.00 25.00 H new ATOM 0 HA SER A 114 -0.328 -6.657 -6.788 1.00 25.00 H new ATOM 0 HB2 SER A 114 0.462 -4.327 -8.594 1.00 25.00 H new ATOM 0 HB3 SER A 114 0.549 -6.035 -8.979 1.00 25.00 H new ATOM 0 HG SER A 114 -1.800 -4.440 -8.591 1.00 25.00 H new ATOM 1909 N GLN A 115 2.305 -6.201 -7.020 1.00 25.00 N ATOM 1910 CA GLN A 115 3.695 -6.130 -6.595 1.00 25.00 C ATOM 1911 C GLN A 115 4.225 -4.722 -6.869 1.00 25.00 C ATOM 1912 O GLN A 115 4.824 -4.101 -5.990 1.00 25.00 O ATOM 1913 CB GLN A 115 4.542 -7.178 -7.314 1.00 25.00 C ATOM 1914 CG GLN A 115 5.968 -7.262 -6.781 1.00 25.00 C ATOM 1915 CD GLN A 115 6.755 -8.390 -7.407 1.00 25.00 C ATOM 1916 OE1 GLN A 115 6.319 -9.531 -7.427 1.00 25.00 O ATOM 1917 NE2 GLN A 115 7.912 -8.078 -7.929 1.00 25.00 N ATOM 0 H GLN A 115 2.131 -6.790 -7.834 1.00 25.00 H new ATOM 0 HA GLN A 115 3.756 -6.341 -5.527 1.00 25.00 H new ATOM 0 HB2 GLN A 115 4.065 -8.153 -7.214 1.00 25.00 H new ATOM 0 HB3 GLN A 115 4.571 -6.945 -8.378 1.00 25.00 H new ATOM 0 HG2 GLN A 115 6.479 -6.318 -6.970 1.00 25.00 H new ATOM 0 HG3 GLN A 115 5.941 -7.399 -5.700 1.00 25.00 H new ATOM 0 HE21 GLN A 115 8.244 -7.114 -7.894 1.00 25.00 H new ATOM 0 HE22 GLN A 115 8.483 -8.798 -8.372 1.00 25.00 H new ATOM 1926 N THR A 116 3.993 -4.215 -8.074 1.00 25.00 N ATOM 1927 CA THR A 116 4.517 -2.916 -8.478 1.00 25.00 C ATOM 1928 C THR A 116 3.593 -2.109 -9.384 1.00 25.00 C ATOM 1929 O THR A 116 3.821 -1.998 -10.581 1.00 25.00 O ATOM 1930 CB THR A 116 5.853 -3.095 -9.209 1.00 25.00 C ATOM 1931 OG1 THR A 116 5.839 -4.334 -9.925 1.00 25.00 O ATOM 1932 CG2 THR A 116 6.987 -3.115 -8.226 1.00 25.00 C ATOM 0 H THR A 116 3.443 -4.687 -8.792 1.00 25.00 H new ATOM 0 HA THR A 116 4.627 -2.356 -7.549 1.00 25.00 H new ATOM 0 HB THR A 116 5.990 -2.262 -9.899 1.00 25.00 H new ATOM 0 HG1 THR A 116 6.691 -4.450 -10.395 1.00 25.00 H new ATOM 0 HG21 THR A 116 7.929 -3.243 -8.760 1.00 25.00 H new ATOM 0 HG22 THR A 116 7.007 -2.175 -7.674 1.00 25.00 H new ATOM 0 HG23 THR A 116 6.850 -3.942 -7.529 1.00 25.00 H new ATOM 1940 N ASP A 117 2.605 -1.474 -8.776 1.00 25.00 N ATOM 1941 CA ASP A 117 1.751 -0.496 -9.476 1.00 25.00 C ATOM 1942 C ASP A 117 1.629 0.728 -8.571 1.00 25.00 C ATOM 1943 O ASP A 117 0.559 1.245 -8.288 1.00 25.00 O ATOM 1944 CB ASP A 117 0.374 -1.068 -9.826 1.00 25.00 C ATOM 1945 CG ASP A 117 -0.361 -0.207 -10.855 1.00 25.00 C ATOM 1946 OD1 ASP A 117 0.300 0.654 -11.494 1.00 25.00 O ATOM 1947 OD2 ASP A 117 -1.569 -0.428 -11.078 1.00 25.00 O ATOM 0 H ASP A 117 2.364 -1.611 -7.794 1.00 25.00 H new ATOM 0 HA ASP A 117 2.206 -0.229 -10.430 1.00 25.00 H new ATOM 0 HB2 ASP A 117 0.490 -2.079 -10.216 1.00 25.00 H new ATOM 0 HB3 ASP A 117 -0.228 -1.143 -8.920 1.00 25.00 H new ATOM 1952 N LEU A 118 2.770 1.125 -8.031 1.00 25.00 N ATOM 1953 CA LEU A 118 2.823 2.214 -7.065 1.00 25.00 C ATOM 1954 C LEU A 118 2.586 3.564 -7.730 1.00 25.00 C ATOM 1955 O LEU A 118 2.922 3.767 -8.896 1.00 25.00 O ATOM 1956 CB LEU A 118 4.198 2.252 -6.384 1.00 25.00 C ATOM 1957 CG LEU A 118 4.578 1.014 -5.558 1.00 25.00 C ATOM 1958 CD1 LEU A 118 5.711 0.241 -6.238 1.00 25.00 C ATOM 1959 CD2 LEU A 118 5.012 1.449 -4.158 1.00 25.00 C ATOM 0 H LEU A 118 3.676 0.708 -8.245 1.00 25.00 H new ATOM 0 HA LEU A 118 2.037 2.032 -6.332 1.00 25.00 H new ATOM 0 HB2 LEU A 118 4.957 2.398 -7.152 1.00 25.00 H new ATOM 0 HB3 LEU A 118 4.233 3.124 -5.731 1.00 25.00 H new ATOM 0 HG LEU A 118 3.710 0.359 -5.484 1.00 25.00 H new ATOM 0 HD11 LEU A 118 5.967 -0.633 -5.638 1.00 25.00 H new ATOM 0 HD12 LEU A 118 5.389 -0.080 -7.228 1.00 25.00 H new ATOM 0 HD13 LEU A 118 6.585 0.885 -6.332 1.00 25.00 H new ATOM 0 HD21 LEU A 118 5.282 0.571 -3.571 1.00 25.00 H new ATOM 0 HD22 LEU A 118 5.873 2.113 -4.234 1.00 25.00 H new ATOM 0 HD23 LEU A 118 4.191 1.974 -3.669 1.00 25.00 H new ATOM 1971 N GLU A 119 2.178 4.532 -6.917 1.00 25.00 N ATOM 1972 CA GLU A 119 2.035 5.939 -7.330 1.00 25.00 C ATOM 1973 C GLU A 119 3.392 6.633 -7.596 1.00 25.00 C ATOM 1974 O GLU A 119 3.513 7.858 -7.487 1.00 25.00 O ATOM 1975 CB GLU A 119 1.353 6.727 -6.215 1.00 25.00 C ATOM 1976 CG GLU A 119 -0.015 6.255 -5.782 1.00 25.00 C ATOM 1977 CD GLU A 119 -0.515 7.113 -4.630 1.00 25.00 C ATOM 1978 OE1 GLU A 119 -0.053 6.886 -3.488 1.00 25.00 O ATOM 1979 OE2 GLU A 119 -1.172 8.141 -4.887 1.00 25.00 O ATOM 0 H GLU A 119 1.933 4.369 -5.941 1.00 25.00 H new ATOM 0 HA GLU A 119 1.455 5.928 -8.253 1.00 25.00 H new ATOM 0 HB2 GLU A 119 2.007 6.716 -5.343 1.00 25.00 H new ATOM 0 HB3 GLU A 119 1.268 7.765 -6.537 1.00 25.00 H new ATOM 0 HG2 GLU A 119 -0.711 6.312 -6.619 1.00 25.00 H new ATOM 0 HG3 GLU A 119 0.031 5.210 -5.476 1.00 25.00 H new ATOM 1986 N HIS A 120 4.415 5.841 -7.898 1.00 25.00 N ATOM 1987 CA HIS A 120 5.781 6.303 -8.197 1.00 25.00 C ATOM 1988 C HIS A 120 6.486 6.961 -7.001 1.00 25.00 C ATOM 1989 O HIS A 120 7.620 7.447 -7.118 1.00 25.00 O ATOM 1990 CB HIS A 120 5.771 7.224 -9.431 1.00 25.00 C ATOM 1991 CG HIS A 120 4.805 6.780 -10.491 1.00 25.00 C ATOM 1992 ND1 HIS A 120 3.547 7.364 -10.684 1.00 25.00 N ATOM 1993 CD2 HIS A 120 4.865 5.784 -11.417 1.00 25.00 C ATOM 1994 CE1 HIS A 120 2.920 6.718 -11.662 1.00 25.00 C ATOM 1995 NE2 HIS A 120 3.696 5.769 -12.115 1.00 25.00 N ATOM 0 H HIS A 120 4.322 4.826 -7.945 1.00 25.00 H new ATOM 0 HA HIS A 120 6.373 5.416 -8.421 1.00 25.00 H new ATOM 0 HB2 HIS A 120 5.518 8.237 -9.119 1.00 25.00 H new ATOM 0 HB3 HIS A 120 6.774 7.263 -9.856 1.00 25.00 H new ATOM 0 HD2 HIS A 120 5.700 5.117 -11.572 1.00 25.00 H new ATOM 0 HE1 HIS A 120 1.928 6.942 -12.024 1.00 25.00 H new ATOM 0 HE2 HIS A 120 3.464 5.122 -12.869 1.00 25.00 H new ATOM 2003 N HIS A 121 5.847 6.934 -5.834 1.00 25.00 N ATOM 2004 CA HIS A 121 6.471 7.435 -4.608 1.00 25.00 C ATOM 2005 C HIS A 121 7.616 6.473 -4.275 1.00 25.00 C ATOM 2006 O HIS A 121 7.469 5.277 -4.455 1.00 25.00 O ATOM 2007 CB HIS A 121 5.489 7.429 -3.418 1.00 25.00 C ATOM 2008 CG HIS A 121 4.180 8.123 -3.670 1.00 25.00 C ATOM 2009 ND1 HIS A 121 3.993 9.175 -4.578 1.00 25.00 N ATOM 2010 CD2 HIS A 121 2.951 7.929 -3.118 1.00 25.00 C ATOM 2011 CE1 HIS A 121 2.714 9.546 -4.542 1.00 25.00 C ATOM 2012 NE2 HIS A 121 2.079 8.811 -3.672 1.00 25.00 N ATOM 0 H HIS A 121 4.901 6.573 -5.710 1.00 25.00 H new ATOM 0 HA HIS A 121 6.803 8.461 -4.767 1.00 25.00 H new ATOM 0 HB2 HIS A 121 5.287 6.395 -3.139 1.00 25.00 H new ATOM 0 HB3 HIS A 121 5.974 7.901 -2.564 1.00 25.00 H new ATOM 0 HD2 HIS A 121 2.709 7.195 -2.364 1.00 25.00 H new ATOM 0 HE1 HIS A 121 2.273 10.331 -5.139 1.00 25.00 H new ATOM 0 HE2 HIS A 121 1.088 8.886 -3.444 1.00 25.00 H new ATOM 2020 N HIS A 122 8.733 6.985 -3.774 1.00 25.00 N ATOM 2021 CA HIS A 122 9.860 6.138 -3.356 1.00 25.00 C ATOM 2022 C HIS A 122 10.638 6.902 -2.289 1.00 25.00 C ATOM 2023 O HIS A 122 10.640 8.133 -2.312 1.00 25.00 O ATOM 2024 CB HIS A 122 10.757 5.778 -4.556 1.00 25.00 C ATOM 2025 CG HIS A 122 11.231 6.962 -5.345 1.00 25.00 C ATOM 2026 ND1 HIS A 122 10.487 7.562 -6.371 1.00 25.00 N ATOM 2027 CD2 HIS A 122 12.390 7.674 -5.302 1.00 25.00 C ATOM 2028 CE1 HIS A 122 11.194 8.565 -6.880 1.00 25.00 C ATOM 2029 NE2 HIS A 122 12.337 8.648 -6.251 1.00 25.00 N ATOM 0 H HIS A 122 8.890 7.984 -3.644 1.00 25.00 H new ATOM 0 HA HIS A 122 9.496 5.195 -2.949 1.00 25.00 H new ATOM 0 HB2 HIS A 122 11.624 5.225 -4.194 1.00 25.00 H new ATOM 0 HB3 HIS A 122 10.207 5.110 -5.219 1.00 25.00 H new ATOM 0 HD1 HIS A 122 9.557 7.276 -6.676 1.00 25.00 H new ATOM 0 HD2 HIS A 122 13.214 7.496 -4.627 1.00 25.00 H new ATOM 0 HE1 HIS A 122 10.875 9.210 -7.686 1.00 25.00 H new ATOM 2037 N HIS A 123 11.226 6.193 -1.329 1.00 25.00 N ATOM 2038 CA HIS A 123 11.923 6.813 -0.185 1.00 25.00 C ATOM 2039 C HIS A 123 13.045 5.874 0.272 1.00 25.00 C ATOM 2040 O HIS A 123 13.054 4.727 -0.137 1.00 25.00 O ATOM 2041 CB HIS A 123 10.946 7.020 0.989 1.00 25.00 C ATOM 2042 CG HIS A 123 9.809 7.949 0.681 1.00 25.00 C ATOM 2043 ND1 HIS A 123 8.478 7.535 0.552 1.00 25.00 N ATOM 2044 CD2 HIS A 123 9.771 9.296 0.477 1.00 25.00 C ATOM 2045 CE1 HIS A 123 7.725 8.597 0.290 1.00 25.00 C ATOM 2046 NE2 HIS A 123 8.482 9.661 0.241 1.00 25.00 N ATOM 0 H HIS A 123 11.238 5.173 -1.314 1.00 25.00 H new ATOM 0 HA HIS A 123 12.325 7.779 -0.491 1.00 25.00 H new ATOM 0 HB2 HIS A 123 10.541 6.053 1.286 1.00 25.00 H new ATOM 0 HB3 HIS A 123 11.499 7.410 1.844 1.00 25.00 H new ATOM 0 HD2 HIS A 123 10.621 9.962 0.499 1.00 25.00 H new ATOM 0 HE1 HIS A 123 6.655 8.583 0.141 1.00 25.00 H new ATOM 0 HE2 HIS A 123 8.159 10.611 0.056 1.00 25.00 H new ATOM 2054 N HIS A 124 13.924 6.360 1.158 1.00 25.00 N ATOM 2055 CA HIS A 124 15.046 5.571 1.733 1.00 25.00 C ATOM 2056 C HIS A 124 15.989 5.104 0.604 1.00 25.00 C ATOM 2057 O HIS A 124 15.884 5.591 -0.520 1.00 25.00 O ATOM 2058 CB HIS A 124 14.494 4.386 2.569 1.00 25.00 C ATOM 2059 CG HIS A 124 15.420 3.890 3.648 1.00 25.00 C ATOM 2060 ND1 HIS A 124 16.019 4.710 4.617 1.00 25.00 N ATOM 2061 CD2 HIS A 124 15.847 2.633 3.957 1.00 25.00 C ATOM 2062 CE1 HIS A 124 16.749 3.948 5.430 1.00 25.00 C ATOM 2063 NE2 HIS A 124 16.652 2.703 5.054 1.00 25.00 N ATOM 0 H HIS A 124 13.885 7.318 1.505 1.00 25.00 H new ATOM 0 HA HIS A 124 15.629 6.196 2.409 1.00 25.00 H new ATOM 0 HB2 HIS A 124 13.554 4.690 3.028 1.00 25.00 H new ATOM 0 HB3 HIS A 124 14.267 3.559 1.896 1.00 25.00 H new ATOM 0 HD2 HIS A 124 15.590 1.731 3.421 1.00 25.00 H new ATOM 0 HE1 HIS A 124 17.329 4.305 6.268 1.00 25.00 H new ATOM 0 HE2 HIS A 124 17.105 1.910 5.508 1.00 25.00 H new ATOM 2071 N HIS A 125 16.932 4.230 0.922 1.00 25.00 N ATOM 2072 CA HIS A 125 17.855 3.661 -0.056 1.00 25.00 C ATOM 2073 C HIS A 125 18.265 2.336 0.557 1.00 25.00 C ATOM 2074 O HIS A 125 19.133 1.632 0.015 1.00 25.00 O ATOM 2075 CB HIS A 125 19.080 4.567 -0.314 1.00 25.00 C ATOM 2076 CG HIS A 125 20.039 4.660 0.838 1.00 25.00 C ATOM 2077 ND1 HIS A 125 20.827 3.590 1.275 1.00 25.00 N ATOM 2078 CD2 HIS A 125 20.389 5.696 1.649 1.00 25.00 C ATOM 2079 CE1 HIS A 125 21.578 3.994 2.292 1.00 25.00 C ATOM 2080 NE2 HIS A 125 21.334 5.256 2.530 1.00 25.00 N ATOM 2081 OXT HIS A 125 17.760 2.078 1.671 1.00 25.00 O ATOM 0 H HIS A 125 17.082 3.891 1.872 1.00 25.00 H new ATOM 0 HA HIS A 125 17.390 3.551 -1.035 1.00 25.00 H new ATOM 0 HB2 HIS A 125 19.615 4.193 -1.187 1.00 25.00 H new ATOM 0 HB3 HIS A 125 18.729 5.569 -0.560 1.00 25.00 H new ATOM 0 HD1 HIS A 125 20.825 2.651 0.876 1.00 25.00 H new ATOM 0 HD2 HIS A 125 19.987 6.697 1.603 1.00 25.00 H new ATOM 0 HE1 HIS A 125 22.279 3.378 2.836 1.00 25.00 H new TER 2089 HIS A 125