USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 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 90 LYS NZ :NH3+ -140:sc= 1.27 (180deg=-0.375) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.0924 K(o=1.2,f=-11!) USER MOD Set 2.1: A 37 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.1!) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -157:sc= 2.29 (180deg=1) USER MOD Set 3.2: A 92 GLN : amide:sc= 1.11 K(o=3.4,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : A 17 LYS NZ :NH3+ -102:sc= 1.11 (180deg=-1.06) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.19) USER MOD Single : A 23 ASN : amide:sc= 1.2 K(o=1.2,f=-0.75) USER MOD Single : A 27 TYR OH : rot 90:sc= -0.953 USER MOD Single : A 29 CYS SG : rot -26:sc= 0.154 USER MOD Single : A 40 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 148:sc= 1.05 (180deg=0.00933) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.172) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00408 USER MOD Single : A 52 THR OG1 : rot 71:sc= 0.398 USER MOD Single : A 56 SER OG : rot 100:sc= -1.31 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 36:sc= 0.473 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.367 (180deg=0.265) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.932) USER MOD Single : A 71 TYR OH : rot -136:sc= 1.27 USER MOD Single : A 73 GLN : amide:sc= -4.73! K(o=-4.7!,f=-2.3) USER MOD Single : A 75 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.7!) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0.915 (180deg=0.9) USER MOD Single : A 81 THR OG1 : rot 63:sc= 1.22 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= 1.09 (180deg=-0.822!) USER MOD Single : A 100 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 105 LYS NZ :NH3+ -159:sc= 2.21 (180deg=1.98) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 0.447! (180deg=0.0894!) USER MOD Single : A 113 HIS : no HD1:sc= -0.87 K(o=-0.87,f=-2.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 2.76 (180deg=2.76) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -19.006 0.353 8.382 1.00 0.00 N ATOM 32 CA ASP A 12 -19.639 -0.898 7.968 1.00 0.00 C ATOM 33 C ASP A 12 -18.911 -1.532 6.787 1.00 0.00 C ATOM 34 O ASP A 12 -18.715 -2.754 6.728 1.00 0.00 O ATOM 35 CB ASP A 12 -21.121 -0.667 7.608 1.00 0.00 C ATOM 36 CG ASP A 12 -21.767 -1.913 7.034 1.00 0.00 C ATOM 37 OD1 ASP A 12 -22.189 -2.794 7.804 1.00 0.00 O ATOM 38 OD2 ASP A 12 -21.783 -2.079 5.789 1.00 0.00 O1- ATOM 0 HA ASP A 12 -19.580 -1.585 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.666 -0.354 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.196 0.146 6.886 1.00 0.00 H new ATOM 43 N LEU A 13 -18.472 -0.695 5.879 1.00 0.00 N ATOM 44 CA LEU A 13 -17.865 -1.136 4.623 1.00 0.00 C ATOM 45 C LEU A 13 -16.502 -1.783 4.826 1.00 0.00 C ATOM 46 O LEU A 13 -16.150 -2.686 4.096 1.00 0.00 O ATOM 47 CB LEU A 13 -17.772 0.023 3.567 1.00 0.00 C ATOM 48 CG LEU A 13 -19.100 0.616 3.019 1.00 0.00 C ATOM 49 CD1 LEU A 13 -19.925 1.310 4.099 1.00 0.00 C ATOM 50 CD2 LEU A 13 -18.808 1.586 1.904 1.00 0.00 C ATOM 0 H LEU A 13 -18.521 0.319 5.980 1.00 0.00 H new ATOM 0 HA LEU A 13 -18.535 -1.899 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.201 0.837 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.194 -0.343 2.719 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.692 -0.220 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.841 1.705 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -20.177 0.594 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.347 2.128 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.744 1.997 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.182 2.395 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.287 1.068 1.099 1.00 0.00 H new ATOM 62 N THR A 14 -15.818 -1.387 5.881 1.00 0.00 N ATOM 63 CA THR A 14 -14.425 -1.739 6.160 1.00 0.00 C ATOM 64 C THR A 14 -13.853 -3.128 5.885 1.00 0.00 C ATOM 65 O THR A 14 -12.638 -3.234 5.726 1.00 0.00 O ATOM 66 CB THR A 14 -13.757 -0.985 7.288 1.00 0.00 C ATOM 67 OG1 THR A 14 -14.692 -0.776 8.347 1.00 0.00 O ATOM 68 CG2 THR A 14 -13.237 0.336 6.750 1.00 0.00 C ATOM 0 H THR A 14 -16.226 -0.788 6.599 1.00 0.00 H new ATOM 0 HA THR A 14 -14.085 -1.311 5.217 1.00 0.00 H new ATOM 0 HB THR A 14 -12.921 -1.560 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.256 -0.289 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.752 0.891 7.554 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.517 0.146 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.068 0.921 6.355 1.00 0.00 H new ATOM 76 N GLU A 15 -14.674 -4.187 5.871 1.00 0.00 N ATOM 77 CA GLU A 15 -14.192 -5.523 5.428 1.00 0.00 C ATOM 78 C GLU A 15 -13.441 -5.373 4.075 1.00 0.00 C ATOM 79 O GLU A 15 -12.443 -6.044 3.810 1.00 0.00 O ATOM 80 CB GLU A 15 -15.361 -6.484 5.198 1.00 0.00 C ATOM 81 CG GLU A 15 -16.262 -6.735 6.389 1.00 0.00 C ATOM 82 CD GLU A 15 -17.328 -7.751 6.051 1.00 0.00 C ATOM 83 OE1 GLU A 15 -18.288 -7.404 5.350 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -17.182 -8.931 6.422 1.00 0.00 O ATOM 0 H GLU A 15 -15.654 -4.158 6.152 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.540 -5.918 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.971 -6.094 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.958 -7.441 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.668 -7.091 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.729 -5.801 6.700 1.00 0.00 H new ATOM 91 N VAL A 16 -13.939 -4.443 3.259 1.00 0.00 N ATOM 92 CA VAL A 16 -13.387 -4.111 1.960 1.00 0.00 C ATOM 93 C VAL A 16 -11.997 -3.476 2.005 1.00 0.00 C ATOM 94 O VAL A 16 -11.269 -3.545 1.033 1.00 0.00 O ATOM 95 CB VAL A 16 -14.311 -3.265 1.106 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.622 -3.995 0.830 1.00 0.00 C ATOM 97 CG2 VAL A 16 -14.536 -1.983 1.772 1.00 0.00 C ATOM 0 H VAL A 16 -14.761 -3.888 3.497 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.281 -5.087 1.485 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.845 -3.081 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.266 -3.366 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.416 -4.927 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.122 -4.214 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.200 -1.369 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.992 -2.155 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.584 -1.469 1.902 1.00 0.00 H new ATOM 107 N LYS A 17 -11.668 -2.811 3.126 1.00 0.00 N ATOM 108 CA LYS A 17 -10.421 -2.031 3.293 1.00 0.00 C ATOM 109 C LYS A 17 -9.187 -2.701 2.682 1.00 0.00 C ATOM 110 O LYS A 17 -8.493 -2.092 1.893 1.00 0.00 O ATOM 111 CB LYS A 17 -10.127 -1.759 4.778 1.00 0.00 C ATOM 112 CG LYS A 17 -8.784 -1.076 5.006 1.00 0.00 C ATOM 113 CD LYS A 17 -8.331 -1.167 6.448 1.00 0.00 C ATOM 114 CE LYS A 17 -6.876 -0.751 6.560 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.313 -1.023 7.897 1.00 0.00 N1+ ATOM 0 H LYS A 17 -12.265 -2.797 3.953 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.604 -1.100 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.920 -1.135 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.146 -2.702 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.033 -1.533 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.858 -0.028 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.951 -0.525 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.456 -2.186 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.291 -1.281 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.788 0.313 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.273 -0.139 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.915 -1.710 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.354 -1.412 7.797 1.00 0.00 H new ATOM 129 N LYS A 18 -8.938 -3.957 3.018 1.00 0.00 N ATOM 130 CA LYS A 18 -7.704 -4.589 2.582 1.00 0.00 C ATOM 131 C LYS A 18 -7.737 -4.975 1.102 1.00 0.00 C ATOM 132 O LYS A 18 -6.694 -5.177 0.503 1.00 0.00 O ATOM 133 CB LYS A 18 -7.257 -5.734 3.531 1.00 0.00 C ATOM 134 CG LYS A 18 -5.758 -6.110 3.417 1.00 0.00 C ATOM 135 CD LYS A 18 -4.852 -4.865 3.593 1.00 0.00 C ATOM 136 CE LYS A 18 -3.354 -5.177 3.475 1.00 0.00 C ATOM 137 NZ LYS A 18 -2.803 -5.835 4.686 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.556 -4.546 3.576 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.916 -3.839 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.469 -5.441 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.858 -6.619 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.509 -6.854 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.568 -6.567 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.120 -4.121 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.046 -4.419 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.189 -5.821 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.809 -4.251 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.822 -6.128 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.824 -5.168 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.377 -6.671 4.918 1.00 0.00 H new ATOM 151 N ASP A 19 -8.927 -5.001 0.511 1.00 0.00 N ATOM 152 CA ASP A 19 -9.072 -5.285 -0.931 1.00 0.00 C ATOM 153 C ASP A 19 -8.583 -4.065 -1.708 1.00 0.00 C ATOM 154 O ASP A 19 -7.900 -4.181 -2.715 1.00 0.00 O ATOM 155 CB ASP A 19 -10.533 -5.578 -1.294 1.00 0.00 C ATOM 156 CG ASP A 19 -10.706 -6.046 -2.731 1.00 0.00 C ATOM 157 OD1 ASP A 19 -10.768 -5.198 -3.632 1.00 0.00 O ATOM 158 OD2 ASP A 19 -10.807 -7.269 -2.942 1.00 0.00 O1- ATOM 0 H ASP A 19 -9.807 -4.831 0.997 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.484 -6.167 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.923 -6.341 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.128 -4.679 -1.136 1.00 0.00 H new ATOM 163 N ALA A 20 -8.871 -2.870 -1.152 1.00 0.00 N ATOM 164 CA ALA A 20 -8.412 -1.586 -1.727 1.00 0.00 C ATOM 165 C ALA A 20 -6.907 -1.593 -1.873 1.00 0.00 C ATOM 166 O ALA A 20 -6.355 -1.078 -2.838 1.00 0.00 O ATOM 167 CB ALA A 20 -8.791 -0.424 -0.826 1.00 0.00 C ATOM 0 H ALA A 20 -9.423 -2.767 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.890 -1.468 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.443 0.509 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.875 -0.390 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.328 -0.556 0.152 1.00 0.00 H new ATOM 173 N LEU A 21 -6.248 -2.214 -0.911 1.00 0.00 N ATOM 174 CA LEU A 21 -4.811 -2.317 -0.907 1.00 0.00 C ATOM 175 C LEU A 21 -4.292 -3.216 -2.051 1.00 0.00 C ATOM 176 O LEU A 21 -3.131 -3.136 -2.407 1.00 0.00 O ATOM 177 CB LEU A 21 -4.257 -2.757 0.468 1.00 0.00 C ATOM 178 CG LEU A 21 -4.194 -1.696 1.615 1.00 0.00 C ATOM 179 CD1 LEU A 21 -3.399 -0.485 1.206 1.00 0.00 C ATOM 180 CD2 LEU A 21 -5.559 -1.265 2.090 1.00 0.00 C ATOM 0 H LEU A 21 -6.700 -2.659 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.428 -1.313 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.864 -3.591 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.248 -3.140 0.313 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.692 -2.192 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.377 0.230 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.381 -0.785 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.863 -0.022 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.451 -0.528 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.111 -0.824 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.103 -2.131 2.468 1.00 0.00 H new ATOM 192 N GLU A 22 -5.162 -4.044 -2.627 1.00 0.00 N ATOM 193 CA GLU A 22 -4.795 -4.872 -3.775 1.00 0.00 C ATOM 194 C GLU A 22 -4.849 -4.068 -5.051 1.00 0.00 C ATOM 195 O GLU A 22 -3.965 -4.171 -5.907 1.00 0.00 O ATOM 196 CB GLU A 22 -5.642 -6.150 -3.874 1.00 0.00 C ATOM 197 CG GLU A 22 -5.286 -7.196 -2.827 1.00 0.00 C ATOM 198 CD GLU A 22 -3.872 -7.747 -3.007 1.00 0.00 C ATOM 199 OE1 GLU A 22 -2.984 -7.014 -3.492 1.00 0.00 O ATOM 200 OE2 GLU A 22 -3.614 -8.892 -2.626 1.00 0.00 O1- ATOM 0 H GLU A 22 -6.127 -4.159 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.767 -5.200 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.695 -5.888 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.517 -6.583 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.378 -6.757 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.002 -8.016 -2.880 1.00 0.00 H new ATOM 207 N ASN A 23 -5.862 -3.223 -5.174 1.00 0.00 N ATOM 208 CA ASN A 23 -5.929 -2.286 -6.308 1.00 0.00 C ATOM 209 C ASN A 23 -4.756 -1.337 -6.194 1.00 0.00 C ATOM 210 O ASN A 23 -4.128 -0.942 -7.181 1.00 0.00 O ATOM 211 CB ASN A 23 -7.237 -1.467 -6.311 1.00 0.00 C ATOM 212 CG ASN A 23 -8.481 -2.310 -6.480 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.447 -3.365 -7.106 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.587 -1.830 -5.976 1.00 0.00 N ATOM 0 H ASN A 23 -6.642 -3.159 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.900 -2.859 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.310 -0.911 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.194 -0.733 -7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.464 -2.336 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.573 -0.949 -5.462 1.00 0.00 H new ATOM 221 N LEU A 24 -4.441 -1.021 -4.959 1.00 0.00 N ATOM 222 CA LEU A 24 -3.355 -0.150 -4.591 1.00 0.00 C ATOM 223 C LEU A 24 -1.999 -0.810 -4.921 1.00 0.00 C ATOM 224 O LEU A 24 -1.058 -0.121 -5.290 1.00 0.00 O ATOM 225 CB LEU A 24 -3.531 0.198 -3.109 1.00 0.00 C ATOM 226 CG LEU A 24 -2.676 1.288 -2.479 1.00 0.00 C ATOM 227 CD1 LEU A 24 -3.521 2.031 -1.459 1.00 0.00 C ATOM 228 CD2 LEU A 24 -1.445 0.689 -1.811 1.00 0.00 C ATOM 0 H LEU A 24 -4.956 -1.379 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.366 0.777 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.574 0.479 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.364 -0.716 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.332 1.976 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.925 2.817 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.384 2.475 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.862 1.335 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.848 1.486 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.756 -0.008 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.849 0.160 -2.554 1.00 0.00 H new ATOM 240 N ARG A 25 -1.935 -2.162 -4.856 1.00 0.00 N ATOM 241 CA ARG A 25 -0.725 -2.926 -5.253 1.00 0.00 C ATOM 242 C ARG A 25 -0.425 -2.614 -6.735 1.00 0.00 C ATOM 243 O ARG A 25 0.730 -2.663 -7.199 1.00 0.00 O ATOM 244 CB ARG A 25 -0.941 -4.477 -5.086 1.00 0.00 C ATOM 245 CG ARG A 25 0.336 -5.311 -5.301 1.00 0.00 C ATOM 246 CD ARG A 25 0.106 -6.850 -5.465 1.00 0.00 C ATOM 247 NE ARG A 25 -0.572 -7.523 -4.335 1.00 0.00 N ATOM 248 CZ ARG A 25 -0.151 -8.665 -3.694 1.00 0.00 C ATOM 249 NH1 ARG A 25 1.019 -9.238 -3.972 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 -0.944 -9.257 -2.819 1.00 0.00 N ATOM 0 H ARG A 25 -2.706 -2.746 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 25 0.105 -2.632 -4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.328 -4.675 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.702 -4.806 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.848 -4.940 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.004 -5.148 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.481 -7.016 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.073 -7.328 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.436 -7.099 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.632 -8.830 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.302 -10.085 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.865 -8.867 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.635 -10.104 -2.342 1.00 0.00 H new ATOM 264 N VAL A 26 -1.477 -2.288 -7.464 1.00 0.00 N ATOM 265 CA VAL A 26 -1.381 -1.944 -8.855 1.00 0.00 C ATOM 266 C VAL A 26 -1.175 -0.422 -9.057 1.00 0.00 C ATOM 267 O VAL A 26 -0.075 0.004 -9.445 1.00 0.00 O ATOM 268 CB VAL A 26 -2.632 -2.419 -9.653 1.00 0.00 C ATOM 269 CG1 VAL A 26 -2.486 -2.117 -11.142 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.881 -3.908 -9.432 1.00 0.00 C ATOM 0 H VAL A 26 -2.428 -2.257 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.505 -2.465 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.493 -1.865 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.375 -2.460 -11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.370 -1.043 -11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.609 -2.632 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.759 -4.218 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.013 -4.476 -9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.049 -4.095 -8.371 1.00 0.00 H new ATOM 280 N TYR A 27 -2.204 0.389 -8.723 1.00 0.00 N ATOM 281 CA TYR A 27 -2.203 1.831 -9.067 1.00 0.00 C ATOM 282 C TYR A 27 -1.137 2.646 -8.379 1.00 0.00 C ATOM 283 O TYR A 27 -0.462 3.405 -9.019 1.00 0.00 O ATOM 284 CB TYR A 27 -3.604 2.540 -8.896 1.00 0.00 C ATOM 285 CG TYR A 27 -4.193 2.682 -7.459 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.606 3.517 -6.473 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.348 2.003 -7.106 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.154 3.634 -5.215 1.00 0.00 C ATOM 289 CE2 TYR A 27 -5.901 2.133 -5.843 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.298 2.945 -4.906 1.00 0.00 C ATOM 291 OH TYR A 27 -5.840 3.071 -3.658 1.00 0.00 O ATOM 0 H TYR A 27 -3.036 0.076 -8.222 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.962 1.809 -10.130 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.524 3.540 -9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.329 1.993 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.711 4.072 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.826 1.360 -7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.685 4.266 -4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.805 1.598 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.478 3.815 -3.652 1.00 0.00 H new ATOM 301 N LEU A 28 -0.926 2.386 -7.104 1.00 0.00 N ATOM 302 CA LEU A 28 -0.182 3.283 -6.206 1.00 0.00 C ATOM 303 C LEU A 28 1.279 3.453 -6.631 1.00 0.00 C ATOM 304 O LEU A 28 1.927 4.455 -6.307 1.00 0.00 O ATOM 305 CB LEU A 28 -0.393 2.753 -4.778 1.00 0.00 C ATOM 306 CG LEU A 28 -0.207 3.678 -3.560 1.00 0.00 C ATOM 307 CD1 LEU A 28 1.201 3.739 -3.131 1.00 0.00 C ATOM 308 CD2 LEU A 28 -0.709 5.063 -3.842 1.00 0.00 C ATOM 0 H LEU A 28 -1.265 1.540 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.559 4.304 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.408 2.359 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.284 1.909 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.797 3.249 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.291 4.401 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.542 2.740 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.814 4.121 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.563 5.689 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.159 5.485 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.771 5.023 -4.086 1.00 0.00 H new ATOM 320 N CYS A 29 1.734 2.524 -7.459 1.00 0.00 N ATOM 321 CA CYS A 29 3.060 2.531 -8.066 1.00 0.00 C ATOM 322 C CYS A 29 3.235 3.768 -8.980 1.00 0.00 C ATOM 323 O CYS A 29 4.348 4.084 -9.394 1.00 0.00 O ATOM 324 CB CYS A 29 3.237 1.241 -8.876 1.00 0.00 C ATOM 325 SG CYS A 29 4.828 1.050 -9.717 1.00 0.00 S ATOM 0 H CYS A 29 1.174 1.718 -7.737 1.00 0.00 H new ATOM 0 HA CYS A 29 3.818 2.583 -7.284 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.097 0.392 -8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.445 1.192 -9.623 1.00 0.00 H new ATOM 0 HG CYS A 29 5.335 2.223 -9.959 1.00 0.00 H new ATOM 331 N GLU A 30 2.107 4.417 -9.306 1.00 0.00 N ATOM 332 CA GLU A 30 2.051 5.629 -10.118 1.00 0.00 C ATOM 333 C GLU A 30 2.977 6.717 -9.560 1.00 0.00 C ATOM 334 O GLU A 30 3.664 7.407 -10.311 1.00 0.00 O ATOM 335 CB GLU A 30 0.574 6.138 -10.188 1.00 0.00 C ATOM 336 CG GLU A 30 -0.044 6.493 -8.820 1.00 0.00 C ATOM 337 CD GLU A 30 -1.549 6.707 -8.847 1.00 0.00 C ATOM 338 OE1 GLU A 30 -2.026 7.811 -9.194 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 -2.308 5.777 -8.465 1.00 0.00 O ATOM 0 H GLU A 30 1.187 4.100 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 30 2.399 5.394 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.536 7.018 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.039 5.372 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.185 5.695 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.433 7.398 -8.444 1.00 0.00 H new ATOM 346 N LYS A 31 2.986 6.870 -8.246 1.00 0.00 N ATOM 347 CA LYS A 31 3.806 7.883 -7.642 1.00 0.00 C ATOM 348 C LYS A 31 4.799 7.285 -6.644 1.00 0.00 C ATOM 349 O LYS A 31 5.833 7.889 -6.344 1.00 0.00 O ATOM 350 CB LYS A 31 2.936 8.933 -6.945 1.00 0.00 C ATOM 351 CG LYS A 31 3.676 10.228 -6.640 1.00 0.00 C ATOM 352 CD LYS A 31 2.815 11.206 -5.870 1.00 0.00 C ATOM 353 CE LYS A 31 3.511 12.550 -5.741 1.00 0.00 C ATOM 354 NZ LYS A 31 2.742 13.489 -4.911 1.00 0.00 N1+ ATOM 0 H LYS A 31 2.439 6.309 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 31 4.375 8.360 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.074 9.156 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.552 8.515 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.574 10.005 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.001 10.688 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.859 11.334 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.599 10.806 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.500 12.406 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.659 12.979 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.012 14.465 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.726 13.358 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.943 13.310 -3.907 1.00 0.00 H new ATOM 368 N ILE A 32 4.502 6.114 -6.114 1.00 0.00 N ATOM 369 CA ILE A 32 5.340 5.591 -5.070 1.00 0.00 C ATOM 370 C ILE A 32 6.535 4.834 -5.602 1.00 0.00 C ATOM 371 O ILE A 32 6.426 3.882 -6.379 1.00 0.00 O ATOM 372 CB ILE A 32 4.576 4.709 -4.008 1.00 0.00 C ATOM 373 CG1 ILE A 32 5.454 4.430 -2.765 1.00 0.00 C ATOM 374 CG2 ILE A 32 4.169 3.377 -4.604 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.719 3.685 -1.664 1.00 0.00 C ATOM 0 H ILE A 32 3.712 5.528 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 32 5.694 6.482 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 32 3.692 5.274 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.326 3.849 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.823 5.376 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.644 2.787 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.512 3.546 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.058 2.838 -4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.393 3.522 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.863 4.274 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.373 2.723 -2.043 1.00 0.00 H new ATOM 387 N ILE A 33 7.670 5.303 -5.253 1.00 0.00 N ATOM 388 CA ILE A 33 8.814 4.513 -5.401 1.00 0.00 C ATOM 389 C ILE A 33 9.211 4.092 -4.005 1.00 0.00 C ATOM 390 O ILE A 33 9.322 4.932 -3.092 1.00 0.00 O ATOM 391 CB ILE A 33 9.982 5.250 -6.137 1.00 0.00 C ATOM 392 CG1 ILE A 33 10.319 6.604 -5.468 1.00 0.00 C ATOM 393 CG2 ILE A 33 9.643 5.439 -7.615 1.00 0.00 C ATOM 394 CD1 ILE A 33 11.473 7.347 -6.116 1.00 0.00 C ATOM 0 H ILE A 33 7.826 6.232 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 33 8.598 3.654 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 33 10.871 4.625 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.433 7.239 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.557 6.429 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.465 5.953 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.488 4.465 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.734 6.034 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.644 8.285 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.373 6.734 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.231 7.557 -7.158 1.00 0.00 H new ATOM 406 N ALA A 34 9.381 2.820 -3.809 1.00 0.00 N ATOM 407 CA ALA A 34 9.787 2.286 -2.516 1.00 0.00 C ATOM 408 C ALA A 34 11.241 2.467 -2.390 1.00 0.00 C ATOM 409 O ALA A 34 11.784 2.641 -1.306 1.00 0.00 O ATOM 410 CB ALA A 34 9.489 0.843 -2.481 1.00 0.00 C ATOM 0 H ALA A 34 9.246 2.112 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 34 9.260 2.794 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.789 0.433 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.419 0.689 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.038 0.339 -3.276 1.00 0.00 H new ATOM 416 N GLU A 35 11.808 2.472 -3.552 1.00 0.00 N ATOM 417 CA GLU A 35 13.179 2.634 -3.866 1.00 0.00 C ATOM 418 C GLU A 35 13.822 3.703 -2.958 1.00 0.00 C ATOM 419 O GLU A 35 14.721 3.421 -2.173 1.00 0.00 O ATOM 420 CB GLU A 35 13.183 3.056 -5.351 1.00 0.00 C ATOM 421 CG GLU A 35 14.511 2.979 -6.113 1.00 0.00 C ATOM 422 CD GLU A 35 15.531 4.064 -5.799 1.00 0.00 C ATOM 423 OE1 GLU A 35 15.156 5.163 -5.329 1.00 0.00 O ATOM 424 OE2 GLU A 35 16.726 3.848 -6.084 1.00 0.00 O1- ATOM 0 H GLU A 35 11.251 2.348 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 35 13.763 1.728 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.458 2.435 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.823 4.083 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.967 2.011 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.295 3.011 -7.181 1.00 0.00 H new ATOM 431 N ARG A 36 13.271 4.890 -3.018 1.00 0.00 N ATOM 432 CA ARG A 36 13.797 6.022 -2.303 1.00 0.00 C ATOM 433 C ARG A 36 13.181 6.153 -0.900 1.00 0.00 C ATOM 434 O ARG A 36 13.600 6.963 -0.096 1.00 0.00 O ATOM 435 CB ARG A 36 13.633 7.281 -3.150 1.00 0.00 C ATOM 436 CG ARG A 36 14.558 8.427 -2.776 1.00 0.00 C ATOM 437 CD ARG A 36 16.016 7.956 -2.653 1.00 0.00 C ATOM 438 NE ARG A 36 16.463 7.080 -3.769 1.00 0.00 N ATOM 439 CZ ARG A 36 17.733 6.862 -4.112 1.00 0.00 C ATOM 440 NH1 ARG A 36 18.717 7.574 -3.544 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 18.024 5.932 -5.008 1.00 0.00 N ATOM 0 H ARG A 36 12.438 5.097 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 36 14.863 5.872 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.802 7.023 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.602 7.624 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.490 9.212 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.235 8.864 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.667 8.829 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.136 7.419 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 36 15.741 6.609 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.495 8.285 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.687 7.405 -3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.277 5.384 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.995 5.764 -5.272 1.00 0.00 H new ATOM 455 N HIS A 37 12.156 5.372 -0.639 1.00 0.00 N ATOM 456 CA HIS A 37 11.473 5.382 0.661 1.00 0.00 C ATOM 457 C HIS A 37 12.226 4.572 1.716 1.00 0.00 C ATOM 458 O HIS A 37 11.835 4.597 2.869 1.00 0.00 O ATOM 459 CB HIS A 37 10.014 4.877 0.569 1.00 0.00 C ATOM 460 CG HIS A 37 8.969 5.933 0.316 1.00 0.00 C ATOM 461 ND1 HIS A 37 8.453 6.215 -0.928 1.00 0.00 N ATOM 462 CD2 HIS A 37 8.304 6.741 1.181 1.00 0.00 C ATOM 463 CE1 HIS A 37 7.519 7.148 -0.823 1.00 0.00 C ATOM 464 NE2 HIS A 37 7.409 7.482 0.447 1.00 0.00 N ATOM 0 H HIS A 37 11.765 4.711 -1.310 1.00 0.00 H new ATOM 0 HA HIS A 37 11.456 6.427 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.955 4.136 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.768 4.364 1.499 1.00 0.00 H new ATOM 0 HD1 HIS A 37 8.746 5.772 -1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.451 6.792 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.946 7.564 -1.638 1.00 0.00 H new ATOM 473 N PHE A 38 13.284 3.864 1.295 1.00 0.00 N ATOM 474 CA PHE A 38 14.084 2.926 2.135 1.00 0.00 C ATOM 475 C PHE A 38 14.305 3.369 3.604 1.00 0.00 C ATOM 476 O PHE A 38 13.990 2.605 4.536 1.00 0.00 O ATOM 477 CB PHE A 38 15.437 2.624 1.456 1.00 0.00 C ATOM 478 CG PHE A 38 16.393 1.819 2.307 1.00 0.00 C ATOM 479 CD1 PHE A 38 16.110 0.508 2.646 1.00 0.00 C ATOM 480 CD2 PHE A 38 17.567 2.389 2.784 1.00 0.00 C ATOM 481 CE1 PHE A 38 16.976 -0.219 3.437 1.00 0.00 C ATOM 482 CE2 PHE A 38 18.434 1.666 3.578 1.00 0.00 C ATOM 483 CZ PHE A 38 18.138 0.359 3.903 1.00 0.00 C ATOM 0 H PHE A 38 13.626 3.921 0.336 1.00 0.00 H new ATOM 0 HA PHE A 38 13.478 2.023 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.252 2.084 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 38 15.914 3.567 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.201 0.048 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 38 17.804 3.412 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 38 16.743 -1.242 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.342 2.123 3.944 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.815 -0.211 4.522 1.00 0.00 H new ATOM 493 N ASP A 39 14.798 4.576 3.808 1.00 0.00 N ATOM 494 CA ASP A 39 15.111 5.088 5.161 1.00 0.00 C ATOM 495 C ASP A 39 13.831 5.174 5.995 1.00 0.00 C ATOM 496 O ASP A 39 13.790 4.789 7.161 1.00 0.00 O ATOM 497 CB ASP A 39 15.775 6.484 5.071 1.00 0.00 C ATOM 498 CG ASP A 39 14.827 7.549 4.551 1.00 0.00 C ATOM 499 OD1 ASP A 39 14.303 7.384 3.410 1.00 0.00 O ATOM 500 OD2 ASP A 39 14.529 8.518 5.285 1.00 0.00 O1- ATOM 0 H ASP A 39 14.997 5.237 3.057 1.00 0.00 H new ATOM 0 HA ASP A 39 15.807 4.400 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.136 6.775 6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.645 6.427 4.417 1.00 0.00 H new ATOM 505 N HIS A 40 12.775 5.579 5.337 1.00 0.00 N ATOM 506 CA HIS A 40 11.463 5.770 5.928 1.00 0.00 C ATOM 507 C HIS A 40 10.776 4.425 6.162 1.00 0.00 C ATOM 508 O HIS A 40 9.805 4.319 6.906 1.00 0.00 O ATOM 509 CB HIS A 40 10.605 6.708 5.055 1.00 0.00 C ATOM 510 CG HIS A 40 11.226 8.072 4.863 1.00 0.00 C ATOM 511 ND1 HIS A 40 11.735 8.514 3.661 1.00 0.00 N ATOM 512 CD2 HIS A 40 11.428 9.083 5.739 1.00 0.00 C ATOM 513 CE1 HIS A 40 12.214 9.730 3.810 1.00 0.00 C ATOM 514 NE2 HIS A 40 12.052 10.102 5.061 1.00 0.00 N ATOM 0 H HIS A 40 12.800 5.794 4.340 1.00 0.00 H new ATOM 0 HA HIS A 40 11.584 6.248 6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.449 6.246 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 40 9.623 6.824 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.149 9.088 6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.667 10.326 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.341 10.995 5.460 1.00 0.00 H new ATOM 523 N LEU A 41 11.263 3.418 5.508 1.00 0.00 N ATOM 524 CA LEU A 41 10.748 2.081 5.672 1.00 0.00 C ATOM 525 C LEU A 41 11.501 1.347 6.772 1.00 0.00 C ATOM 526 O LEU A 41 10.966 0.461 7.419 1.00 0.00 O ATOM 527 CB LEU A 41 10.828 1.362 4.374 1.00 0.00 C ATOM 528 CG LEU A 41 10.075 2.036 3.247 1.00 0.00 C ATOM 529 CD1 LEU A 41 10.435 1.394 1.975 1.00 0.00 C ATOM 530 CD2 LEU A 41 8.569 1.989 3.464 1.00 0.00 C ATOM 0 H LEU A 41 12.031 3.492 4.841 1.00 0.00 H new ATOM 0 HA LEU A 41 9.703 2.126 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.876 1.264 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.437 0.353 4.505 1.00 0.00 H new ATOM 0 HG LEU A 41 10.359 3.088 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.896 1.875 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.508 1.492 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.169 0.338 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.066 2.483 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.242 0.951 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.319 2.499 4.394 1.00 0.00 H new ATOM 542 N ARG A 42 12.751 1.726 6.989 1.00 0.00 N ATOM 543 CA ARG A 42 13.525 1.228 8.142 1.00 0.00 C ATOM 544 C ARG A 42 13.091 2.017 9.363 1.00 0.00 C ATOM 545 O ARG A 42 13.446 1.708 10.504 1.00 0.00 O ATOM 546 CB ARG A 42 15.035 1.395 7.919 1.00 0.00 C ATOM 547 CG ARG A 42 15.645 0.591 6.842 1.00 0.00 C ATOM 548 CD ARG A 42 15.746 -0.838 7.208 1.00 0.00 C ATOM 549 NE ARG A 42 14.539 -1.633 6.878 1.00 0.00 N ATOM 550 CZ ARG A 42 14.012 -2.613 7.641 1.00 0.00 C ATOM 551 NH1 ARG A 42 14.450 -2.814 8.889 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 13.061 -3.391 7.152 1.00 0.00 N ATOM 0 H ARG A 42 13.260 2.375 6.390 1.00 0.00 H new ATOM 0 HA ARG A 42 13.335 0.163 8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.233 2.446 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.544 1.154 8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.051 0.692 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.639 0.979 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.605 -1.273 6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.938 -0.915 8.278 1.00 0.00 H new ATOM 0 HE ARG A 42 14.067 -1.421 5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.189 -2.224 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.045 -3.557 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.727 -3.250 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.662 -4.132 7.728 1.00 0.00 H new ATOM 566 N ALA A 43 12.343 3.041 9.097 1.00 0.00 N ATOM 567 CA ALA A 43 11.731 3.849 10.090 1.00 0.00 C ATOM 568 C ALA A 43 10.538 3.094 10.672 1.00 0.00 C ATOM 569 O ALA A 43 10.459 2.889 11.889 1.00 0.00 O ATOM 570 CB ALA A 43 11.271 5.121 9.422 1.00 0.00 C ATOM 0 H ALA A 43 12.138 3.344 8.145 1.00 0.00 H new ATOM 0 HA ALA A 43 12.425 4.083 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.794 5.767 10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.129 5.635 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.557 4.881 8.634 1.00 0.00 H new ATOM 576 N LYS A 44 9.670 2.603 9.786 1.00 0.00 N ATOM 577 CA LYS A 44 8.465 1.876 10.198 1.00 0.00 C ATOM 578 C LYS A 44 8.757 0.397 10.441 1.00 0.00 C ATOM 579 O LYS A 44 8.014 -0.270 11.146 1.00 0.00 O ATOM 580 CB LYS A 44 7.363 2.037 9.139 1.00 0.00 C ATOM 581 CG LYS A 44 6.862 3.473 8.955 1.00 0.00 C ATOM 582 CD LYS A 44 6.078 3.981 10.173 1.00 0.00 C ATOM 583 CE LYS A 44 4.664 3.422 10.252 1.00 0.00 C ATOM 584 NZ LYS A 44 3.914 3.991 11.397 1.00 0.00 N1+ ATOM 0 H LYS A 44 9.778 2.695 8.776 1.00 0.00 H new ATOM 0 HA LYS A 44 8.121 2.303 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.739 1.672 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.519 1.404 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.712 4.131 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.226 3.522 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.618 3.715 11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.030 5.069 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.134 3.640 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.706 2.337 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.905 4.055 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.031 3.377 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.279 4.940 11.614 1.00 0.00 H new ATOM 598 N LYS A 45 9.853 -0.086 9.850 1.00 0.00 N ATOM 599 CA LYS A 45 10.359 -1.451 10.041 1.00 0.00 C ATOM 600 C LYS A 45 9.330 -2.504 9.671 1.00 0.00 C ATOM 601 O LYS A 45 8.837 -3.277 10.517 1.00 0.00 O ATOM 602 CB LYS A 45 10.899 -1.635 11.445 1.00 0.00 C ATOM 603 CG LYS A 45 11.957 -0.614 11.764 1.00 0.00 C ATOM 604 CD LYS A 45 12.381 -0.693 13.207 1.00 0.00 C ATOM 605 CE LYS A 45 13.325 0.447 13.570 1.00 0.00 C ATOM 606 NZ LYS A 45 12.755 1.779 13.210 1.00 0.00 N1+ ATOM 0 H LYS A 45 10.425 0.469 9.214 1.00 0.00 H new ATOM 0 HA LYS A 45 11.191 -1.594 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.084 -1.553 12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.315 -2.637 11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.822 -0.771 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.577 0.385 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.501 -0.658 13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.873 -1.648 13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.534 0.419 14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.276 0.308 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.152 2.507 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.995 2.004 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.721 1.755 13.318 1.00 0.00 H new ATOM 620 N ILE A 46 8.964 -2.499 8.418 1.00 0.00 N ATOM 621 CA ILE A 46 7.956 -3.395 7.952 1.00 0.00 C ATOM 622 C ILE A 46 8.543 -4.793 7.781 1.00 0.00 C ATOM 623 O ILE A 46 8.178 -5.734 8.500 1.00 0.00 O ATOM 624 CB ILE A 46 7.316 -3.010 6.583 1.00 0.00 C ATOM 625 CG1 ILE A 46 7.082 -1.508 6.396 1.00 0.00 C ATOM 626 CG2 ILE A 46 6.003 -3.720 6.442 1.00 0.00 C ATOM 627 CD1 ILE A 46 8.295 -0.746 5.916 1.00 0.00 C ATOM 0 H ILE A 46 9.353 -1.881 7.705 1.00 0.00 H new ATOM 0 HA ILE A 46 7.176 -3.348 8.712 1.00 0.00 H new ATOM 0 HB ILE A 46 8.031 -3.311 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.271 -1.364 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.751 -1.083 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.548 -3.457 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.166 -4.797 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.340 -3.423 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.043 0.309 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.103 -0.855 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.615 -1.141 4.952 1.00 0.00 H new ATOM 639 N LEU A 47 9.475 -4.892 6.855 1.00 0.00 N ATOM 640 CA LEU A 47 10.064 -6.156 6.437 1.00 0.00 C ATOM 641 C LEU A 47 11.417 -6.339 7.120 1.00 0.00 C ATOM 642 O LEU A 47 11.747 -5.607 8.082 1.00 0.00 O ATOM 643 CB LEU A 47 10.291 -6.160 4.912 1.00 0.00 C ATOM 644 CG LEU A 47 9.148 -5.746 3.980 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.822 -6.485 4.222 1.00 0.00 C ATOM 646 CD2 LEU A 47 9.026 -4.228 3.870 1.00 0.00 C ATOM 0 H LEU A 47 9.854 -4.084 6.361 1.00 0.00 H new ATOM 0 HA LEU A 47 9.384 -6.962 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.136 -5.503 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.595 -7.168 4.629 1.00 0.00 H new ATOM 0 HG LEU A 47 9.429 -6.094 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.072 -6.127 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.971 -7.555 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.481 -6.297 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.204 -3.977 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.832 -3.806 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.955 -3.816 3.475 1.00 0.00 H new ATOM 658 N SER A 48 12.224 -7.249 6.605 1.00 0.00 N ATOM 659 CA SER A 48 13.508 -7.535 7.189 1.00 0.00 C ATOM 660 C SER A 48 14.547 -6.472 6.753 1.00 0.00 C ATOM 661 O SER A 48 14.319 -5.710 5.809 1.00 0.00 O ATOM 662 CB SER A 48 13.959 -8.964 6.825 1.00 0.00 C ATOM 663 OG SER A 48 15.162 -9.330 7.502 1.00 0.00 O ATOM 0 H SER A 48 12.004 -7.803 5.777 1.00 0.00 H new ATOM 0 HA SER A 48 13.424 -7.486 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.169 -9.670 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.113 -9.033 5.748 1.00 0.00 H new ATOM 0 HG SER A 48 15.416 -10.242 7.248 1.00 0.00 H new ATOM 669 N ARG A 49 15.675 -6.445 7.450 1.00 0.00 N ATOM 670 CA ARG A 49 16.729 -5.445 7.245 1.00 0.00 C ATOM 671 C ARG A 49 17.315 -5.409 5.826 1.00 0.00 C ATOM 672 O ARG A 49 17.221 -4.383 5.145 1.00 0.00 O ATOM 673 CB ARG A 49 17.834 -5.557 8.315 1.00 0.00 C ATOM 674 CG ARG A 49 18.221 -6.981 8.703 1.00 0.00 C ATOM 675 CD ARG A 49 19.445 -6.992 9.603 1.00 0.00 C ATOM 676 NE ARG A 49 20.661 -6.715 8.839 1.00 0.00 N ATOM 677 CZ ARG A 49 21.925 -6.878 9.237 1.00 0.00 C ATOM 678 NH1 ARG A 49 22.212 -7.132 10.522 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 22.907 -6.773 8.332 1.00 0.00 N ATOM 0 H ARG A 49 15.892 -7.121 8.182 1.00 0.00 H new ATOM 0 HA ARG A 49 16.229 -4.484 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.723 -5.042 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.505 -5.030 9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.386 -7.461 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.422 -7.564 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.328 -6.247 10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.532 -7.962 10.092 1.00 0.00 H new ATOM 0 HE ARG A 49 20.528 -6.356 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.461 -7.203 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.182 -7.255 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.683 -6.572 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.879 -6.894 8.617 1.00 0.00 H new ATOM 693 N GLU A 50 17.874 -6.521 5.375 1.00 0.00 N ATOM 694 CA GLU A 50 18.545 -6.572 4.063 1.00 0.00 C ATOM 695 C GLU A 50 17.486 -6.564 2.970 1.00 0.00 C ATOM 696 O GLU A 50 17.661 -6.008 1.890 1.00 0.00 O ATOM 697 CB GLU A 50 19.404 -7.849 3.956 1.00 0.00 C ATOM 698 CG GLU A 50 20.257 -8.161 5.199 1.00 0.00 C ATOM 699 CD GLU A 50 21.121 -7.006 5.666 1.00 0.00 C ATOM 700 OE1 GLU A 50 20.606 -6.109 6.337 1.00 0.00 O ATOM 701 OE2 GLU A 50 22.341 -6.994 5.431 1.00 0.00 O1- ATOM 0 H GLU A 50 17.882 -7.403 5.887 1.00 0.00 H new ATOM 0 HA GLU A 50 19.198 -5.706 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.747 -8.697 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.065 -7.754 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.597 -8.459 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.898 -9.015 4.981 1.00 0.00 H new ATOM 708 N ASP A 51 16.376 -7.132 3.334 1.00 0.00 N ATOM 709 CA ASP A 51 15.181 -7.285 2.521 1.00 0.00 C ATOM 710 C ASP A 51 14.681 -5.931 1.972 1.00 0.00 C ATOM 711 O ASP A 51 14.671 -5.711 0.745 1.00 0.00 O ATOM 712 CB ASP A 51 14.153 -7.969 3.421 1.00 0.00 C ATOM 713 CG ASP A 51 12.750 -8.082 2.902 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.511 -7.858 1.708 1.00 0.00 O1- ATOM 715 OD2 ASP A 51 11.866 -8.371 3.742 1.00 0.00 O ATOM 0 H ASP A 51 16.261 -7.531 4.266 1.00 0.00 H new ATOM 0 HA ASP A 51 15.377 -7.884 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.513 -8.974 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.120 -7.428 4.367 1.00 0.00 H new ATOM 720 N THR A 52 14.368 -4.990 2.871 1.00 0.00 N ATOM 721 CA THR A 52 13.855 -3.684 2.452 1.00 0.00 C ATOM 722 C THR A 52 14.951 -2.869 1.694 1.00 0.00 C ATOM 723 O THR A 52 14.662 -1.896 1.015 1.00 0.00 O ATOM 724 CB THR A 52 13.319 -2.890 3.679 1.00 0.00 C ATOM 725 OG1 THR A 52 12.542 -3.775 4.497 1.00 0.00 O ATOM 726 CG2 THR A 52 12.399 -1.746 3.254 1.00 0.00 C ATOM 0 H THR A 52 14.460 -5.107 3.880 1.00 0.00 H new ATOM 0 HA THR A 52 13.027 -3.848 1.763 1.00 0.00 H new ATOM 0 HB THR A 52 14.178 -2.483 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.136 -4.412 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.045 -1.216 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.948 -1.056 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.546 -2.149 2.707 1.00 0.00 H new ATOM 734 N ARG A 53 16.205 -3.297 1.812 1.00 0.00 N ATOM 735 CA ARG A 53 17.300 -2.665 1.083 1.00 0.00 C ATOM 736 C ARG A 53 17.293 -3.160 -0.349 1.00 0.00 C ATOM 737 O ARG A 53 17.233 -2.394 -1.307 1.00 0.00 O ATOM 738 CB ARG A 53 18.659 -3.054 1.692 1.00 0.00 C ATOM 739 CG ARG A 53 19.862 -2.549 0.882 1.00 0.00 C ATOM 740 CD ARG A 53 21.086 -3.446 1.063 1.00 0.00 C ATOM 741 NE ARG A 53 21.543 -3.511 2.441 1.00 0.00 N ATOM 742 CZ ARG A 53 21.885 -4.644 3.087 1.00 0.00 C ATOM 743 NH1 ARG A 53 21.715 -5.854 2.526 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 22.368 -4.569 4.315 1.00 0.00 N ATOM 0 H ARG A 53 16.488 -4.078 2.405 1.00 0.00 H new ATOM 0 HA ARG A 53 17.163 -1.585 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.721 -2.657 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.715 -4.140 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.596 -2.506 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.107 -1.533 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.847 -4.452 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.896 -3.077 0.434 1.00 0.00 H new ATOM 0 HE ARG A 53 21.610 -2.634 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.319 -5.931 1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.982 -6.695 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 53 22.479 -3.660 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 53 22.630 -5.420 4.813 1.00 0.00 H new ATOM 758 N GLU A 54 17.341 -4.453 -0.469 1.00 0.00 N ATOM 759 CA GLU A 54 17.502 -5.125 -1.718 1.00 0.00 C ATOM 760 C GLU A 54 16.306 -5.061 -2.643 1.00 0.00 C ATOM 761 O GLU A 54 16.434 -5.322 -3.864 1.00 0.00 O ATOM 762 CB GLU A 54 18.133 -6.483 -1.518 1.00 0.00 C ATOM 763 CG GLU A 54 19.574 -6.291 -1.056 1.00 0.00 C ATOM 764 CD GLU A 54 20.267 -7.521 -0.559 1.00 0.00 C ATOM 765 OE1 GLU A 54 20.447 -8.475 -1.349 1.00 0.00 O1- ATOM 766 OE2 GLU A 54 20.672 -7.514 0.616 1.00 0.00 O ATOM 0 H GLU A 54 17.267 -5.087 0.327 1.00 0.00 H new ATOM 0 HA GLU A 54 18.221 -4.553 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.572 -7.055 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.107 -7.052 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.150 -5.882 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.585 -5.544 -0.262 1.00 0.00 H new ATOM 773 N ILE A 55 15.139 -4.736 -2.102 1.00 0.00 N ATOM 774 CA ILE A 55 14.018 -4.466 -2.964 1.00 0.00 C ATOM 775 C ILE A 55 14.252 -3.188 -3.796 1.00 0.00 C ATOM 776 O ILE A 55 13.889 -3.134 -4.976 1.00 0.00 O ATOM 777 CB ILE A 55 12.591 -4.510 -2.271 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.441 -3.545 -1.071 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.204 -5.931 -1.878 1.00 0.00 C ATOM 780 CD1 ILE A 55 12.121 -2.104 -1.439 1.00 0.00 C ATOM 0 H ILE A 55 14.955 -4.657 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 55 13.975 -5.313 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 55 11.894 -4.153 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.653 -3.921 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.366 -3.560 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.221 -5.923 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.174 -6.559 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.939 -6.328 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.036 -1.507 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.919 -1.702 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.179 -2.069 -1.986 1.00 0.00 H new ATOM 792 N SER A 56 14.928 -2.227 -3.204 1.00 0.00 N ATOM 793 CA SER A 56 15.240 -0.973 -3.861 1.00 0.00 C ATOM 794 C SER A 56 16.585 -1.029 -4.600 1.00 0.00 C ATOM 795 O SER A 56 16.802 -0.308 -5.551 1.00 0.00 O ATOM 796 CB SER A 56 15.319 0.131 -2.807 1.00 0.00 C ATOM 797 OG SER A 56 14.117 0.225 -2.070 1.00 0.00 O ATOM 0 H SER A 56 15.279 -2.293 -2.249 1.00 0.00 H new ATOM 0 HA SER A 56 14.455 -0.775 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.149 -0.069 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.526 1.085 -3.292 1.00 0.00 H new ATOM 0 HG SER A 56 14.224 -0.234 -1.210 1.00 0.00 H new ATOM 803 N CYS A 57 17.468 -1.893 -4.158 1.00 0.00 N ATOM 804 CA CYS A 57 18.836 -1.860 -4.630 1.00 0.00 C ATOM 805 C CYS A 57 19.168 -2.710 -5.879 1.00 0.00 C ATOM 806 O CYS A 57 19.462 -2.166 -6.937 1.00 0.00 O ATOM 807 CB CYS A 57 19.794 -2.187 -3.472 1.00 0.00 C ATOM 808 SG CYS A 57 21.553 -2.120 -3.885 1.00 0.00 S ATOM 0 H CYS A 57 17.268 -2.624 -3.476 1.00 0.00 H new ATOM 0 HA CYS A 57 18.976 -0.838 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 57 19.602 -1.491 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 57 19.562 -3.185 -3.101 1.00 0.00 H new ATOM 0 HG CYS A 57 22.257 -2.411 -2.832 1.00 0.00 H new ATOM 814 N ARG A 58 19.138 -4.027 -5.752 1.00 0.00 N ATOM 815 CA ARG A 58 19.765 -4.872 -6.784 1.00 0.00 C ATOM 816 C ARG A 58 18.880 -5.336 -7.966 1.00 0.00 C ATOM 817 O ARG A 58 19.022 -4.840 -9.073 1.00 0.00 O ATOM 818 CB ARG A 58 20.510 -6.049 -6.107 1.00 0.00 C ATOM 819 CG ARG A 58 19.651 -6.845 -5.126 1.00 0.00 C ATOM 820 CD ARG A 58 20.465 -7.801 -4.277 1.00 0.00 C ATOM 821 NE ARG A 58 21.076 -8.906 -5.020 1.00 0.00 N ATOM 822 CZ ARG A 58 21.604 -9.992 -4.413 1.00 0.00 C ATOM 823 NH1 ARG A 58 21.543 -10.114 -3.077 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 22.175 -10.960 -5.146 1.00 0.00 N ATOM 0 H ARG A 58 18.705 -4.531 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 58 20.467 -4.211 -7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 58 20.881 -6.723 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 58 21.380 -5.659 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 58 19.115 -6.154 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.900 -7.408 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.252 -7.239 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.822 -8.214 -3.500 1.00 0.00 H new ATOM 0 HE ARG A 58 21.104 -8.854 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 58 21.097 -9.386 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.942 -10.934 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.211 -10.876 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.573 -11.779 -4.687 1.00 0.00 H new ATOM 838 N THR A 59 17.978 -6.250 -7.736 1.00 0.00 N ATOM 839 CA THR A 59 17.232 -6.838 -8.827 1.00 0.00 C ATOM 840 C THR A 59 15.843 -6.235 -8.938 1.00 0.00 C ATOM 841 O THR A 59 14.978 -6.474 -8.052 1.00 0.00 O ATOM 842 CB THR A 59 17.132 -8.354 -8.619 1.00 0.00 C ATOM 843 OG1 THR A 59 18.452 -8.876 -8.366 1.00 0.00 O ATOM 844 CG2 THR A 59 16.544 -9.022 -9.852 1.00 0.00 C ATOM 0 H THR A 59 17.739 -6.606 -6.811 1.00 0.00 H new ATOM 0 HA THR A 59 17.761 -6.627 -9.757 1.00 0.00 H new ATOM 0 HB THR A 59 16.479 -8.560 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.400 -9.845 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.480 -10.098 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.547 -8.624 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.183 -8.824 -10.713 1.00 0.00 H new ATOM 852 N SER A 60 15.598 -5.454 -9.980 1.00 0.00 N ATOM 853 CA SER A 60 14.309 -4.850 -10.105 1.00 0.00 C ATOM 854 C SER A 60 13.970 -4.358 -11.508 1.00 0.00 C ATOM 855 O SER A 60 14.762 -3.654 -12.110 1.00 0.00 O ATOM 856 CB SER A 60 14.323 -3.656 -9.194 1.00 0.00 C ATOM 857 OG SER A 60 15.455 -2.834 -9.497 1.00 0.00 O ATOM 0 H SER A 60 16.262 -5.237 -10.723 1.00 0.00 H new ATOM 0 HA SER A 60 13.561 -5.604 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.403 -3.084 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.364 -3.980 -8.154 1.00 0.00 H new ATOM 0 HG SER A 60 15.617 -2.844 -10.463 1.00 0.00 H new ATOM 863 N SER A 61 12.819 -4.766 -12.040 1.00 0.00 N ATOM 864 CA SER A 61 12.263 -4.054 -13.174 1.00 0.00 C ATOM 865 C SER A 61 11.256 -2.993 -12.624 1.00 0.00 C ATOM 866 O SER A 61 11.578 -1.829 -12.480 1.00 0.00 O ATOM 867 CB SER A 61 11.593 -5.049 -14.149 1.00 0.00 C ATOM 868 OG SER A 61 10.976 -4.396 -15.232 1.00 0.00 O ATOM 0 H SER A 61 12.272 -5.562 -11.712 1.00 0.00 H new ATOM 0 HA SER A 61 13.042 -3.542 -13.739 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.341 -5.746 -14.526 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.850 -5.638 -13.611 1.00 0.00 H new ATOM 0 HG SER A 61 10.567 -5.061 -15.824 1.00 0.00 H new ATOM 874 N ARG A 62 10.075 -3.477 -12.190 1.00 0.00 N ATOM 875 CA ARG A 62 9.049 -2.655 -11.497 1.00 0.00 C ATOM 876 C ARG A 62 9.282 -2.764 -9.991 1.00 0.00 C ATOM 877 O ARG A 62 8.759 -1.989 -9.185 1.00 0.00 O ATOM 878 CB ARG A 62 7.621 -3.171 -11.825 1.00 0.00 C ATOM 879 CG ARG A 62 6.488 -2.338 -11.199 1.00 0.00 C ATOM 880 CD ARG A 62 5.127 -3.019 -11.332 1.00 0.00 C ATOM 881 NE ARG A 62 4.046 -2.216 -10.713 1.00 0.00 N ATOM 882 CZ ARG A 62 3.177 -2.649 -9.761 1.00 0.00 C ATOM 883 NH1 ARG A 62 3.294 -3.872 -9.232 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 2.196 -1.855 -9.345 1.00 0.00 N ATOM 0 H ARG A 62 9.800 -4.452 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 62 9.132 -1.621 -11.830 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.492 -3.184 -12.907 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.532 -4.201 -11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.705 -2.168 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.451 -1.360 -11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.902 -3.179 -12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.165 -4.001 -10.861 1.00 0.00 H new ATOM 0 HE ARG A 62 3.945 -1.252 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.042 -4.492 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.635 -4.184 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.094 -0.920 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.545 -2.181 -8.631 1.00 0.00 H new ATOM 898 N LYS A 63 10.072 -3.767 -9.661 1.00 0.00 N ATOM 899 CA LYS A 63 10.313 -4.274 -8.310 1.00 0.00 C ATOM 900 C LYS A 63 10.668 -3.167 -7.280 1.00 0.00 C ATOM 901 O LYS A 63 10.243 -3.260 -6.141 1.00 0.00 O ATOM 902 CB LYS A 63 11.427 -5.340 -8.397 1.00 0.00 C ATOM 903 CG LYS A 63 11.237 -6.631 -7.577 1.00 0.00 C ATOM 904 CD LYS A 63 11.190 -6.403 -6.076 1.00 0.00 C ATOM 905 CE LYS A 63 12.470 -5.798 -5.532 1.00 0.00 C ATOM 906 NZ LYS A 63 13.669 -6.670 -5.672 1.00 0.00 N1+ ATOM 0 H LYS A 63 10.597 -4.285 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 63 9.386 -4.710 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.545 -5.620 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.362 -4.876 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.313 -7.117 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.052 -7.318 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.354 -5.745 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.001 -7.352 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.659 -4.855 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.327 -5.563 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.496 -6.191 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.506 -7.568 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.844 -6.861 -6.679 1.00 0.00 H new ATOM 920 N ARG A 64 11.405 -2.130 -7.696 1.00 0.00 N ATOM 921 CA ARG A 64 11.804 -1.051 -6.763 1.00 0.00 C ATOM 922 C ARG A 64 10.617 -0.208 -6.355 1.00 0.00 C ATOM 923 O ARG A 64 10.573 0.331 -5.271 1.00 0.00 O ATOM 924 CB ARG A 64 12.844 -0.106 -7.377 1.00 0.00 C ATOM 925 CG ARG A 64 14.166 -0.723 -7.714 1.00 0.00 C ATOM 926 CD ARG A 64 15.131 0.312 -8.262 1.00 0.00 C ATOM 927 NE ARG A 64 16.424 -0.270 -8.611 1.00 0.00 N ATOM 928 CZ ARG A 64 17.601 0.375 -8.528 1.00 0.00 C ATOM 929 NH1 ARG A 64 17.673 1.597 -7.956 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 18.716 -0.228 -8.947 1.00 0.00 N ATOM 0 H ARG A 64 11.736 -2.009 -8.653 1.00 0.00 H new ATOM 0 HA ARG A 64 12.232 -1.558 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.424 0.326 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.015 0.717 -6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.592 -1.186 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.024 -1.516 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.696 0.781 -9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.276 1.099 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 64 16.435 -1.235 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.831 2.036 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.569 2.080 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.672 -1.173 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.611 0.257 -8.886 1.00 0.00 H new ATOM 944 N ALA A 65 9.709 -0.019 -7.260 1.00 0.00 N ATOM 945 CA ALA A 65 8.571 0.807 -6.986 1.00 0.00 C ATOM 946 C ALA A 65 7.369 0.011 -6.459 1.00 0.00 C ATOM 947 O ALA A 65 7.034 0.066 -5.280 1.00 0.00 O ATOM 948 CB ALA A 65 8.198 1.636 -8.206 1.00 0.00 C ATOM 0 H ALA A 65 9.731 -0.424 -8.196 1.00 0.00 H new ATOM 0 HA ALA A 65 8.860 1.486 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.331 2.255 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.037 2.275 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.958 0.973 -9.037 1.00 0.00 H new ATOM 954 N GLY A 66 6.782 -0.777 -7.344 1.00 0.00 N ATOM 955 CA GLY A 66 5.503 -1.390 -7.074 1.00 0.00 C ATOM 956 C GLY A 66 5.523 -2.751 -6.417 1.00 0.00 C ATOM 957 O GLY A 66 4.507 -3.168 -5.866 1.00 0.00 O ATOM 0 H GLY A 66 7.176 -1.005 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.930 -0.715 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.962 -1.476 -8.016 1.00 0.00 H new ATOM 961 N LYS A 67 6.636 -3.473 -6.454 1.00 0.00 N ATOM 962 CA LYS A 67 6.592 -4.817 -5.877 1.00 0.00 C ATOM 963 C LYS A 67 6.814 -4.787 -4.363 1.00 0.00 C ATOM 964 O LYS A 67 6.740 -5.814 -3.692 1.00 0.00 O ATOM 965 CB LYS A 67 7.465 -5.871 -6.589 1.00 0.00 C ATOM 966 CG LYS A 67 6.921 -7.301 -6.368 1.00 0.00 C ATOM 967 CD LYS A 67 7.774 -8.402 -6.973 1.00 0.00 C ATOM 968 CE LYS A 67 7.048 -9.770 -6.920 1.00 0.00 C ATOM 969 NZ LYS A 67 6.648 -10.191 -5.539 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.529 -3.179 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 67 5.576 -5.167 -6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.500 -5.655 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.488 -5.808 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.828 -7.479 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.918 -7.363 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.012 -8.154 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.720 -8.469 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.158 -9.722 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.699 -10.533 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.246 -11.149 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.483 -10.187 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.937 -9.529 -5.167 1.00 0.00 H new ATOM 983 N LEU A 68 7.131 -3.613 -3.839 1.00 0.00 N ATOM 984 CA LEU A 68 7.142 -3.423 -2.400 1.00 0.00 C ATOM 985 C LEU A 68 5.741 -3.654 -1.894 1.00 0.00 C ATOM 986 O LEU A 68 5.489 -4.510 -1.080 1.00 0.00 O ATOM 987 CB LEU A 68 7.523 -1.983 -2.034 1.00 0.00 C ATOM 988 CG LEU A 68 7.254 -1.598 -0.560 1.00 0.00 C ATOM 989 CD1 LEU A 68 8.249 -2.210 0.358 1.00 0.00 C ATOM 990 CD2 LEU A 68 7.155 -0.101 -0.330 1.00 0.00 C ATOM 0 H LEU A 68 7.381 -2.787 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 68 7.865 -4.111 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.582 -1.837 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.971 -1.300 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 68 6.271 -2.009 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.027 -1.916 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.203 -3.296 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.249 -1.868 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.966 0.093 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.090 0.375 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.338 0.305 -0.926 1.00 0.00 H new ATOM 1002 N LEU A 69 4.833 -2.932 -2.501 1.00 0.00 N ATOM 1003 CA LEU A 69 3.432 -2.861 -2.107 1.00 0.00 C ATOM 1004 C LEU A 69 2.825 -4.248 -2.167 1.00 0.00 C ATOM 1005 O LEU A 69 1.948 -4.604 -1.395 1.00 0.00 O ATOM 1006 CB LEU A 69 2.713 -1.926 -3.081 1.00 0.00 C ATOM 1007 CG LEU A 69 3.500 -0.666 -3.515 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.614 0.260 -4.300 1.00 0.00 C ATOM 1009 CD2 LEU A 69 4.126 0.055 -2.321 1.00 0.00 C ATOM 0 H LEU A 69 5.048 -2.354 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 69 3.334 -2.482 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.453 -2.494 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.777 -1.606 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 69 4.319 -0.991 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.182 1.141 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.248 -0.253 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.769 0.565 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.669 0.933 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.341 0.364 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.815 -0.618 -1.810 1.00 0.00 H new ATOM 1021 N ASP A 70 3.367 -4.999 -3.082 1.00 0.00 N ATOM 1022 CA ASP A 70 3.072 -6.382 -3.320 1.00 0.00 C ATOM 1023 C ASP A 70 3.341 -7.231 -2.068 1.00 0.00 C ATOM 1024 O ASP A 70 2.399 -7.713 -1.445 1.00 0.00 O ATOM 1025 CB ASP A 70 3.924 -6.811 -4.506 1.00 0.00 C ATOM 1026 CG ASP A 70 3.850 -8.251 -4.870 1.00 0.00 C ATOM 1027 OD1 ASP A 70 3.000 -8.610 -5.682 1.00 0.00 O1- ATOM 1028 OD2 ASP A 70 4.708 -9.009 -4.420 1.00 0.00 O ATOM 0 H ASP A 70 4.073 -4.637 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 70 2.016 -6.528 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.629 -6.221 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.963 -6.563 -4.291 1.00 0.00 H new ATOM 1033 N TYR A 71 4.607 -7.323 -1.619 1.00 0.00 N ATOM 1034 CA TYR A 71 4.882 -8.173 -0.457 1.00 0.00 C ATOM 1035 C TYR A 71 4.358 -7.595 0.848 1.00 0.00 C ATOM 1036 O TYR A 71 4.189 -8.293 1.822 1.00 0.00 O ATOM 1037 CB TYR A 71 6.338 -8.743 -0.346 1.00 0.00 C ATOM 1038 CG TYR A 71 7.544 -7.861 -0.026 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.915 -6.693 -0.725 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.356 -8.264 1.013 1.00 0.00 C ATOM 1041 CE1 TYR A 71 9.051 -5.991 -0.351 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.466 -7.578 1.367 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.818 -6.449 0.701 1.00 0.00 C ATOM 1044 OH TYR A 71 10.953 -5.773 1.087 1.00 0.00 O ATOM 0 H TYR A 71 5.414 -6.845 -2.021 1.00 0.00 H new ATOM 0 HA TYR A 71 4.289 -9.065 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.310 -9.522 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.554 -9.234 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.314 -6.345 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.097 -9.157 1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.333 -5.092 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.077 -7.931 2.185 1.00 0.00 H new ATOM 0 HH TYR A 71 11.677 -6.414 1.247 1.00 0.00 H new ATOM 1054 N LEU A 72 4.071 -6.323 0.835 1.00 0.00 N ATOM 1055 CA LEU A 72 3.522 -5.626 1.984 1.00 0.00 C ATOM 1056 C LEU A 72 2.017 -5.800 2.119 1.00 0.00 C ATOM 1057 O LEU A 72 1.423 -5.440 3.139 1.00 0.00 O ATOM 1058 CB LEU A 72 3.924 -4.167 1.981 1.00 0.00 C ATOM 1059 CG LEU A 72 5.328 -3.912 2.527 1.00 0.00 C ATOM 1060 CD1 LEU A 72 6.370 -4.539 1.688 1.00 0.00 C ATOM 1061 CD2 LEU A 72 5.571 -2.470 2.701 1.00 0.00 C ATOM 0 H LEU A 72 4.211 -5.726 0.020 1.00 0.00 H new ATOM 0 HA LEU A 72 3.956 -6.090 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.866 -3.786 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.206 -3.601 2.574 1.00 0.00 H new ATOM 0 HG LEU A 72 5.387 -4.383 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.352 -4.332 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.209 -5.616 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.318 -4.131 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.577 -2.315 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.473 -1.966 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.843 -2.060 3.402 1.00 0.00 H new ATOM 1073 N GLN A 73 1.382 -6.294 1.080 1.00 0.00 N ATOM 1074 CA GLN A 73 -0.045 -6.548 1.136 1.00 0.00 C ATOM 1075 C GLN A 73 -0.233 -7.841 1.924 1.00 0.00 C ATOM 1076 O GLN A 73 -0.935 -7.876 2.960 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.563 -6.769 -0.289 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.998 -6.317 -0.582 1.00 0.00 C ATOM 1079 CD GLN A 73 -3.069 -6.803 0.287 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -3.052 -7.871 0.868 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -4.018 -5.962 0.395 1.00 0.00 N ATOM 0 H GLN A 73 1.824 -6.527 0.191 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.577 -5.716 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.104 -6.249 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.489 -7.833 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.016 -5.228 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.238 -6.613 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.979 -5.080 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.818 -6.169 0.993 1.00 0.00 H new ATOM 1090 N GLU A 74 0.508 -8.848 1.477 1.00 0.00 N ATOM 1091 CA GLU A 74 0.462 -10.206 1.999 1.00 0.00 C ATOM 1092 C GLU A 74 1.248 -10.366 3.309 1.00 0.00 C ATOM 1093 O GLU A 74 1.131 -11.371 4.003 1.00 0.00 O ATOM 1094 CB GLU A 74 0.871 -11.193 0.890 1.00 0.00 C ATOM 1095 CG GLU A 74 2.132 -10.798 0.120 1.00 0.00 C ATOM 1096 CD GLU A 74 2.281 -11.562 -1.181 1.00 0.00 C ATOM 1097 OE1 GLU A 74 1.585 -11.194 -2.176 1.00 0.00 O ATOM 1098 OE2 GLU A 74 3.086 -12.504 -1.228 1.00 0.00 O1- ATOM 0 H GLU A 74 1.179 -8.737 0.717 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.562 -10.444 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.026 -12.176 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.046 -11.289 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.105 -9.729 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.007 -10.977 0.745 1.00 0.00 H new ATOM 1105 N ASN A 75 2.033 -9.365 3.621 1.00 0.00 N ATOM 1106 CA ASN A 75 2.702 -9.208 4.917 1.00 0.00 C ATOM 1107 C ASN A 75 1.873 -8.206 5.695 1.00 0.00 C ATOM 1108 O ASN A 75 2.106 -7.021 5.575 1.00 0.00 O ATOM 1109 CB ASN A 75 4.172 -8.736 4.790 1.00 0.00 C ATOM 1110 CG ASN A 75 4.939 -8.637 6.125 1.00 0.00 C ATOM 1111 OD1 ASN A 75 4.386 -8.335 7.191 1.00 0.00 O ATOM 1112 ND2 ASN A 75 6.224 -8.899 6.070 1.00 0.00 N ATOM 0 H ASN A 75 2.239 -8.607 2.970 1.00 0.00 H new ATOM 0 HA ASN A 75 2.763 -10.171 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.704 -9.423 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.184 -7.759 4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.790 -8.856 6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.657 -9.145 5.180 1.00 0.00 H new ATOM 1119 N PRO A 76 0.808 -8.690 6.406 1.00 0.00 N ATOM 1120 CA PRO A 76 -0.282 -7.885 7.013 1.00 0.00 C ATOM 1121 C PRO A 76 0.036 -6.449 7.454 1.00 0.00 C ATOM 1122 O PRO A 76 -0.779 -5.568 7.224 1.00 0.00 O ATOM 1123 CB PRO A 76 -0.683 -8.730 8.206 1.00 0.00 C ATOM 1124 CG PRO A 76 -0.549 -10.124 7.714 1.00 0.00 C ATOM 1125 CD PRO A 76 0.617 -10.124 6.749 1.00 0.00 C ATOM 0 HA PRO A 76 -1.048 -7.699 6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.036 -8.544 9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.703 -8.514 8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.370 -10.812 8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.463 -10.451 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.512 -10.547 7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.400 -10.720 5.862 1.00 0.00 H new ATOM 1133 N LYS A 77 1.202 -6.207 8.049 1.00 0.00 N ATOM 1134 CA LYS A 77 1.520 -4.859 8.537 1.00 0.00 C ATOM 1135 C LYS A 77 1.781 -3.907 7.378 1.00 0.00 C ATOM 1136 O LYS A 77 1.433 -2.753 7.444 1.00 0.00 O ATOM 1137 CB LYS A 77 2.831 -4.839 9.337 1.00 0.00 C ATOM 1138 CG LYS A 77 2.965 -5.772 10.528 1.00 0.00 C ATOM 1139 CD LYS A 77 4.309 -5.515 11.250 1.00 0.00 C ATOM 1140 CE LYS A 77 5.513 -5.683 10.305 1.00 0.00 C ATOM 1141 NZ LYS A 77 6.820 -5.345 10.947 1.00 0.00 N1+ ATOM 0 H LYS A 77 1.929 -6.905 8.204 1.00 0.00 H new ATOM 0 HA LYS A 77 0.664 -4.563 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.644 -5.063 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.987 -3.821 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.136 -5.616 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.913 -6.809 10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.311 -4.507 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.408 -6.204 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.546 -6.713 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.371 -5.048 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.581 -5.413 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.782 -4.376 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.008 -6.011 11.724 1.00 0.00 H new ATOM 1155 N GLY A 78 2.308 -4.455 6.306 1.00 0.00 N ATOM 1156 CA GLY A 78 2.944 -3.700 5.249 1.00 0.00 C ATOM 1157 C GLY A 78 2.239 -2.504 4.706 1.00 0.00 C ATOM 1158 O GLY A 78 2.653 -1.375 4.957 1.00 0.00 O ATOM 0 H GLY A 78 2.306 -5.462 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.918 -3.373 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.128 -4.382 4.419 1.00 0.00 H new ATOM 1162 N LEU A 79 1.194 -2.717 3.988 1.00 0.00 N ATOM 1163 CA LEU A 79 0.500 -1.615 3.365 1.00 0.00 C ATOM 1164 C LEU A 79 -0.262 -0.788 4.344 1.00 0.00 C ATOM 1165 O LEU A 79 -0.464 0.413 4.137 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.388 -2.082 2.271 1.00 0.00 C ATOM 1167 CG LEU A 79 0.309 -2.530 1.013 1.00 0.00 C ATOM 1168 CD1 LEU A 79 -0.690 -3.074 0.100 1.00 0.00 C ATOM 1169 CD2 LEU A 79 0.974 -1.366 0.344 1.00 0.00 C ATOM 0 H LEU A 79 0.791 -3.637 3.810 1.00 0.00 H new ATOM 0 HA LEU A 79 1.270 -0.974 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.991 -2.909 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.076 -1.276 2.016 1.00 0.00 H new ATOM 0 HG LEU A 79 1.060 -3.278 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.203 -3.404 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.190 -3.921 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.425 -2.304 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.474 -1.705 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.225 -0.617 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.708 -0.928 1.020 1.00 0.00 H new ATOM 1181 N ASP A 80 -0.636 -1.409 5.425 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.351 -0.737 6.476 1.00 0.00 C ATOM 1183 C ASP A 80 -0.396 0.231 7.193 1.00 0.00 C ATOM 1184 O ASP A 80 -0.804 1.197 7.816 1.00 0.00 O ATOM 1185 CB ASP A 80 -1.955 -1.756 7.459 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.060 -2.603 6.842 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -2.760 -3.570 6.083 1.00 0.00 O1- ATOM 1188 OD2 ASP A 80 -4.251 -2.303 7.093 1.00 0.00 O ATOM 0 H ASP A 80 -0.455 -2.397 5.605 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.178 -0.168 6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.164 -2.412 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.353 -1.225 8.324 1.00 0.00 H new ATOM 1193 N THR A 81 0.877 -0.062 7.059 1.00 0.00 N ATOM 1194 CA THR A 81 1.963 0.729 7.570 1.00 0.00 C ATOM 1195 C THR A 81 2.377 1.814 6.535 1.00 0.00 C ATOM 1196 O THR A 81 2.747 2.941 6.908 1.00 0.00 O ATOM 1197 CB THR A 81 3.151 -0.232 7.886 1.00 0.00 C ATOM 1198 OG1 THR A 81 2.806 -1.094 8.970 1.00 0.00 O ATOM 1199 CG2 THR A 81 4.451 0.465 8.199 1.00 0.00 C ATOM 0 H THR A 81 1.194 -0.898 6.567 1.00 0.00 H new ATOM 0 HA THR A 81 1.661 1.250 8.479 1.00 0.00 H new ATOM 0 HB THR A 81 3.320 -0.800 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.045 -1.656 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.221 -0.278 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.753 1.073 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.320 1.105 9.072 1.00 0.00 H new ATOM 1207 N LEU A 82 2.263 1.487 5.240 1.00 0.00 N ATOM 1208 CA LEU A 82 2.690 2.404 4.168 1.00 0.00 C ATOM 1209 C LEU A 82 1.845 3.629 4.073 1.00 0.00 C ATOM 1210 O LEU A 82 2.351 4.695 3.724 1.00 0.00 O ATOM 1211 CB LEU A 82 2.715 1.770 2.783 1.00 0.00 C ATOM 1212 CG LEU A 82 3.656 0.609 2.548 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.885 0.451 1.074 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.965 0.807 3.265 1.00 0.00 C ATOM 0 H LEU A 82 1.882 0.601 4.909 1.00 0.00 H new ATOM 0 HA LEU A 82 3.706 2.666 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.705 1.432 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.962 2.550 2.063 1.00 0.00 H new ATOM 0 HG LEU A 82 3.200 -0.296 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.563 -0.385 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.934 0.258 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.325 1.365 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.617 -0.046 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.443 1.717 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.784 0.893 4.336 1.00 0.00 H new ATOM 1226 N VAL A 83 0.567 3.494 4.373 1.00 0.00 N ATOM 1227 CA VAL A 83 -0.372 4.606 4.268 1.00 0.00 C ATOM 1228 C VAL A 83 0.087 5.828 5.086 1.00 0.00 C ATOM 1229 O VAL A 83 -0.162 6.970 4.708 1.00 0.00 O ATOM 1230 CB VAL A 83 -1.827 4.184 4.642 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -1.896 3.624 6.045 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -2.798 5.347 4.482 1.00 0.00 C ATOM 0 H VAL A 83 0.149 2.621 4.694 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.383 4.904 3.219 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.123 3.396 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.923 3.340 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.252 2.748 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.562 4.380 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.803 5.021 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.496 6.166 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.791 5.687 3.446 1.00 0.00 H new ATOM 1242 N GLU A 84 0.825 5.591 6.152 1.00 0.00 N ATOM 1243 CA GLU A 84 1.298 6.680 6.962 1.00 0.00 C ATOM 1244 C GLU A 84 2.462 7.410 6.290 1.00 0.00 C ATOM 1245 O GLU A 84 2.672 8.597 6.515 1.00 0.00 O ATOM 1246 CB GLU A 84 1.695 6.223 8.345 1.00 0.00 C ATOM 1247 CG GLU A 84 0.586 5.532 9.096 1.00 0.00 C ATOM 1248 CD GLU A 84 0.846 5.539 10.563 1.00 0.00 C ATOM 1249 OE1 GLU A 84 1.485 4.603 11.063 1.00 0.00 O ATOM 1250 OE2 GLU A 84 0.453 6.533 11.219 1.00 0.00 O1- ATOM 0 H GLU A 84 1.104 4.663 6.470 1.00 0.00 H new ATOM 0 HA GLU A 84 0.467 7.377 7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.545 5.545 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.029 7.086 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.362 6.029 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.490 4.504 8.745 1.00 0.00 H new ATOM 1257 N SER A 85 3.185 6.706 5.445 1.00 0.00 N ATOM 1258 CA SER A 85 4.294 7.289 4.737 1.00 0.00 C ATOM 1259 C SER A 85 3.756 7.998 3.487 1.00 0.00 C ATOM 1260 O SER A 85 4.374 8.936 2.967 1.00 0.00 O ATOM 1261 CB SER A 85 5.331 6.202 4.366 1.00 0.00 C ATOM 1262 OG SER A 85 6.547 6.777 3.885 1.00 0.00 O ATOM 0 H SER A 85 3.019 5.722 5.234 1.00 0.00 H new ATOM 0 HA SER A 85 4.802 8.016 5.370 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.540 5.585 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.913 5.544 3.604 1.00 0.00 H new ATOM 0 HG SER A 85 7.180 6.063 3.661 1.00 0.00 H new ATOM 1268 N ILE A 86 2.592 7.542 3.021 1.00 0.00 N ATOM 1269 CA ILE A 86 1.920 8.159 1.889 1.00 0.00 C ATOM 1270 C ILE A 86 1.207 9.428 2.364 1.00 0.00 C ATOM 1271 O ILE A 86 1.133 10.391 1.651 1.00 0.00 O ATOM 1272 CB ILE A 86 0.876 7.201 1.222 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.530 5.878 0.810 1.00 0.00 C ATOM 1274 CG2 ILE A 86 0.244 7.864 -0.007 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.556 4.881 0.206 1.00 0.00 C ATOM 0 H ILE A 86 2.097 6.743 3.417 1.00 0.00 H new ATOM 0 HA ILE A 86 2.677 8.393 1.140 1.00 0.00 H new ATOM 0 HB ILE A 86 0.099 6.995 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.322 6.083 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.003 5.428 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.479 7.183 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.261 8.782 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.022 8.099 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.089 3.969 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.222 4.647 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.102 5.311 -0.687 1.00 0.00 H new ATOM 1287 N ARG A 87 0.736 9.405 3.616 1.00 0.00 N ATOM 1288 CA ARG A 87 0.003 10.522 4.277 1.00 0.00 C ATOM 1289 C ARG A 87 0.703 11.899 4.072 1.00 0.00 C ATOM 1290 O ARG A 87 0.039 12.932 3.991 1.00 0.00 O ATOM 1291 CB ARG A 87 -0.099 10.214 5.787 1.00 0.00 C ATOM 1292 CG ARG A 87 -0.798 11.276 6.632 1.00 0.00 C ATOM 1293 CD ARG A 87 -0.694 10.957 8.129 1.00 0.00 C ATOM 1294 NE ARG A 87 -1.383 9.703 8.508 1.00 0.00 N ATOM 1295 CZ ARG A 87 -0.944 8.823 9.448 1.00 0.00 C ATOM 1296 NH1 ARG A 87 0.223 8.995 10.057 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -1.673 7.760 9.773 1.00 0.00 N ATOM 0 H ARG A 87 0.850 8.594 4.224 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.985 10.596 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.629 9.270 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.908 10.069 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.353 12.251 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.847 11.340 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.358 10.884 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.117 11.783 8.700 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.255 9.481 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.807 9.798 9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.535 8.325 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.571 7.598 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.335 7.106 10.479 1.00 0.00 H new ATOM 1311 N ARG A 88 2.037 11.881 3.958 1.00 0.00 N ATOM 1312 CA ARG A 88 2.846 13.102 3.786 1.00 0.00 C ATOM 1313 C ARG A 88 2.511 13.776 2.438 1.00 0.00 C ATOM 1314 O ARG A 88 2.675 14.994 2.277 1.00 0.00 O ATOM 1315 CB ARG A 88 4.357 12.740 3.886 1.00 0.00 C ATOM 1316 CG ARG A 88 5.345 13.925 4.027 1.00 0.00 C ATOM 1317 CD ARG A 88 6.191 14.172 2.762 1.00 0.00 C ATOM 1318 NE ARG A 88 5.412 14.712 1.649 1.00 0.00 N ATOM 1319 CZ ARG A 88 5.262 14.134 0.449 1.00 0.00 C ATOM 1320 NH1 ARG A 88 5.863 12.986 0.175 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 4.495 14.711 -0.470 1.00 0.00 N ATOM 0 H ARG A 88 2.588 11.023 3.982 1.00 0.00 H new ATOM 0 HA ARG A 88 2.612 13.815 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.493 12.079 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.631 12.172 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.784 14.830 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.011 13.735 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.999 14.863 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.654 13.235 2.453 1.00 0.00 H new ATOM 0 HE ARG A 88 4.942 15.605 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.446 12.534 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.743 12.553 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.023 15.591 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.378 14.274 -1.384 1.00 0.00 H new ATOM 1335 N GLU A 89 2.007 12.975 1.497 1.00 0.00 N ATOM 1336 CA GLU A 89 1.604 13.421 0.164 1.00 0.00 C ATOM 1337 C GLU A 89 0.468 14.433 0.204 1.00 0.00 C ATOM 1338 O GLU A 89 0.191 15.040 -0.798 1.00 0.00 O ATOM 1339 CB GLU A 89 1.257 12.260 -0.797 1.00 0.00 C ATOM 1340 CG GLU A 89 2.424 11.339 -1.165 1.00 0.00 C ATOM 1341 CD GLU A 89 3.570 12.072 -1.825 1.00 0.00 C ATOM 1342 OE1 GLU A 89 3.343 13.154 -2.429 1.00 0.00 O ATOM 1343 OE2 GLU A 89 4.715 11.606 -1.744 1.00 0.00 O1- ATOM 0 H GLU A 89 1.865 11.976 1.645 1.00 0.00 H new ATOM 0 HA GLU A 89 2.487 13.917 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.471 11.658 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.846 12.681 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.787 10.844 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.066 10.558 -1.835 1.00 0.00 H new ATOM 1350 N LYS A 90 -0.217 14.537 1.366 1.00 0.00 N ATOM 1351 CA LYS A 90 -1.396 15.424 1.635 1.00 0.00 C ATOM 1352 C LYS A 90 -1.416 16.797 0.869 1.00 0.00 C ATOM 1353 O LYS A 90 -2.512 17.325 0.576 1.00 0.00 O ATOM 1354 CB LYS A 90 -1.532 15.673 3.159 1.00 0.00 C ATOM 1355 CG LYS A 90 -2.665 16.627 3.555 1.00 0.00 C ATOM 1356 CD LYS A 90 -4.047 16.057 3.239 1.00 0.00 C ATOM 1357 CE LYS A 90 -5.113 17.149 3.272 1.00 0.00 C ATOM 1358 NZ LYS A 90 -4.935 18.131 2.157 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.040 13.985 2.184 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.250 14.873 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.691 14.716 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.590 16.075 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.599 16.841 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.538 17.574 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.034 15.587 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.297 15.279 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.101 16.695 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.069 17.672 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.123 19.092 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.960 18.077 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.599 17.907 1.388 1.00 0.00 H new ATOM 1372 N THR A 91 -0.260 17.377 0.585 1.00 0.00 N ATOM 1373 CA THR A 91 -0.174 18.615 -0.191 1.00 0.00 C ATOM 1374 C THR A 91 -0.790 18.384 -1.596 1.00 0.00 C ATOM 1375 O THR A 91 -1.501 19.217 -2.138 1.00 0.00 O ATOM 1376 CB THR A 91 1.305 18.994 -0.362 1.00 0.00 C ATOM 1377 OG1 THR A 91 1.988 18.745 0.882 1.00 0.00 O ATOM 1378 CG2 THR A 91 1.443 20.471 -0.718 1.00 0.00 C ATOM 0 H THR A 91 0.644 17.009 0.882 1.00 0.00 H new ATOM 0 HA THR A 91 -0.712 19.409 0.326 1.00 0.00 H new ATOM 0 HB THR A 91 1.737 18.399 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.935 18.981 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.498 20.720 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.917 20.671 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.013 21.079 0.078 1.00 0.00 H new ATOM 1386 N GLN A 92 -0.537 17.205 -2.114 1.00 0.00 N ATOM 1387 CA GLN A 92 -0.985 16.752 -3.406 1.00 0.00 C ATOM 1388 C GLN A 92 -1.793 15.486 -3.138 1.00 0.00 C ATOM 1389 O GLN A 92 -1.578 14.433 -3.745 1.00 0.00 O ATOM 1390 CB GLN A 92 0.239 16.434 -4.273 1.00 0.00 C ATOM 1391 CG GLN A 92 1.244 17.578 -4.334 1.00 0.00 C ATOM 1392 CD GLN A 92 2.451 17.278 -5.187 1.00 0.00 C ATOM 1393 OE1 GLN A 92 2.863 16.128 -5.338 1.00 0.00 O ATOM 1394 NE2 GLN A 92 3.050 18.303 -5.712 1.00 0.00 N ATOM 0 H GLN A 92 0.014 16.503 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.583 17.498 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.733 15.545 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.092 16.195 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.747 18.467 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.574 17.814 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.678 19.241 -5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.892 18.170 -6.272 1.00 0.00 H new ATOM 1403 N ASN A 93 -2.738 15.651 -2.215 1.00 0.00 N ATOM 1404 CA ASN A 93 -3.626 14.611 -1.614 1.00 0.00 C ATOM 1405 C ASN A 93 -4.328 13.619 -2.541 1.00 0.00 C ATOM 1406 O ASN A 93 -5.019 12.748 -2.048 1.00 0.00 O ATOM 1407 CB ASN A 93 -4.600 15.188 -0.559 1.00 0.00 C ATOM 1408 CG ASN A 93 -5.535 16.285 -1.013 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.815 17.205 -0.238 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -6.087 16.179 -2.184 1.00 0.00 N ATOM 0 H ASN A 93 -2.932 16.575 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.884 13.981 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.204 14.367 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.009 15.570 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.775 16.868 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.833 15.406 -2.800 1.00 0.00 H new ATOM 1417 N PHE A 94 -4.205 13.792 -3.846 1.00 0.00 N ATOM 1418 CA PHE A 94 -4.819 12.916 -4.867 1.00 0.00 C ATOM 1419 C PHE A 94 -4.744 11.404 -4.490 1.00 0.00 C ATOM 1420 O PHE A 94 -5.739 10.690 -4.599 1.00 0.00 O ATOM 1421 CB PHE A 94 -4.136 13.176 -6.222 1.00 0.00 C ATOM 1422 CG PHE A 94 -4.638 12.334 -7.367 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -5.892 12.556 -7.914 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -3.850 11.322 -7.896 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -6.350 11.787 -8.966 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -4.303 10.552 -8.948 1.00 0.00 C ATOM 1427 CZ PHE A 94 -5.554 10.784 -9.483 1.00 0.00 C ATOM 0 H PHE A 94 -3.666 14.559 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.880 13.159 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.266 14.227 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.065 13.006 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.518 13.339 -7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.871 11.135 -7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.329 11.970 -9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.679 9.769 -9.352 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.910 10.181 -10.305 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.585 10.944 -4.014 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.442 9.536 -3.601 1.00 0.00 C ATOM 1439 C LEU A 95 -4.190 9.233 -2.327 1.00 0.00 C ATOM 1440 O LEU A 95 -4.853 8.215 -2.228 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.984 9.116 -3.431 1.00 0.00 C ATOM 1442 CG LEU A 95 -1.166 8.973 -4.712 1.00 0.00 C ATOM 1443 CD1 LEU A 95 0.206 8.436 -4.393 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.853 8.026 -5.665 1.00 0.00 C ATOM 0 H LEU A 95 -2.743 11.509 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.878 8.958 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.490 9.846 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.962 8.163 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.077 9.956 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.781 8.338 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.717 9.122 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.113 7.460 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.260 7.932 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.955 7.048 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.841 8.413 -5.914 1.00 0.00 H new ATOM 1456 N ILE A 96 -4.117 10.148 -1.384 1.00 0.00 N ATOM 1457 CA ILE A 96 -4.719 9.970 -0.055 1.00 0.00 C ATOM 1458 C ILE A 96 -6.233 9.872 -0.238 1.00 0.00 C ATOM 1459 O ILE A 96 -6.919 9.052 0.384 1.00 0.00 O ATOM 1460 CB ILE A 96 -4.412 11.196 0.878 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -2.983 11.724 0.655 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -4.569 10.809 2.355 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -1.902 10.715 0.901 1.00 0.00 C ATOM 0 H ILE A 96 -3.641 11.042 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.306 9.073 0.406 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.127 11.978 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.899 12.086 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.819 12.580 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.352 11.673 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.591 10.476 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.876 10.003 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.929 11.172 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.955 10.370 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.035 9.868 0.228 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.720 10.698 -1.146 1.00 0.00 N ATOM 1476 CA GLN A 97 -8.112 10.748 -1.510 1.00 0.00 C ATOM 1477 C GLN A 97 -8.516 9.439 -2.179 1.00 0.00 C ATOM 1478 O GLN A 97 -9.548 8.879 -1.860 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.340 11.914 -2.472 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.792 12.164 -2.834 1.00 0.00 C ATOM 1481 CD GLN A 97 -9.936 13.262 -3.861 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -10.038 14.427 -3.525 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -9.963 12.897 -5.117 1.00 0.00 N ATOM 0 H GLN A 97 -6.141 11.364 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.718 10.891 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.930 12.820 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.779 11.727 -3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -10.233 11.245 -3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.349 12.432 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.875 11.911 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.072 13.598 -5.850 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.657 8.947 -3.072 1.00 0.00 N ATOM 1493 CA LYS A 98 -7.923 7.726 -3.828 1.00 0.00 C ATOM 1494 C LYS A 98 -8.034 6.521 -2.886 1.00 0.00 C ATOM 1495 O LYS A 98 -8.940 5.719 -3.017 1.00 0.00 O ATOM 1496 CB LYS A 98 -6.823 7.490 -4.880 1.00 0.00 C ATOM 1497 CG LYS A 98 -7.161 6.401 -5.900 1.00 0.00 C ATOM 1498 CD LYS A 98 -6.015 6.130 -6.883 1.00 0.00 C ATOM 1499 CE LYS A 98 -5.566 7.375 -7.639 1.00 0.00 C ATOM 1500 NZ LYS A 98 -4.539 7.057 -8.662 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.761 9.383 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.874 7.845 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.635 8.424 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.898 7.221 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.407 5.479 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.050 6.696 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.166 5.718 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.331 5.372 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.427 7.839 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.164 8.103 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.861 7.842 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.037 6.188 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.999 6.918 -9.584 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.122 6.441 -1.915 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.124 5.355 -0.923 1.00 0.00 C ATOM 1516 C ILE A 99 -8.449 5.367 -0.138 1.00 0.00 C ATOM 1517 O ILE A 99 -9.059 4.322 0.116 1.00 0.00 O ATOM 1518 CB ILE A 99 -5.934 5.504 0.080 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -4.595 5.519 -0.674 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.949 4.369 1.114 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.382 5.762 0.207 1.00 0.00 C ATOM 0 H ILE A 99 -6.368 7.117 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.014 4.411 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.049 6.451 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.471 4.566 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.633 6.292 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.112 4.492 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.885 4.398 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.860 3.410 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.480 5.757 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.479 6.729 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.315 4.975 0.958 1.00 0.00 H new ATOM 1533 N THR A 100 -8.891 6.564 0.211 1.00 0.00 N ATOM 1534 CA THR A 100 -10.127 6.754 0.940 1.00 0.00 C ATOM 1535 C THR A 100 -11.326 6.369 0.046 1.00 0.00 C ATOM 1536 O THR A 100 -12.236 5.642 0.476 1.00 0.00 O ATOM 1537 CB THR A 100 -10.245 8.230 1.386 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.044 8.611 2.090 1.00 0.00 O ATOM 1539 CG2 THR A 100 -11.445 8.429 2.306 1.00 0.00 C ATOM 0 H THR A 100 -8.399 7.431 -0.005 1.00 0.00 H new ATOM 0 HA THR A 100 -10.128 6.116 1.823 1.00 0.00 H new ATOM 0 HB THR A 100 -10.379 8.849 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.328 8.786 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.505 9.476 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.357 8.149 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.332 7.805 3.192 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.279 6.843 -1.203 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.296 6.562 -2.228 1.00 0.00 C ATOM 1549 C ASP A 101 -12.504 5.074 -2.379 1.00 0.00 C ATOM 1550 O ASP A 101 -13.634 4.595 -2.275 1.00 0.00 O ATOM 1551 CB ASP A 101 -11.889 7.195 -3.572 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.755 6.759 -4.743 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -13.965 6.981 -4.714 1.00 0.00 O1- ATOM 1554 OD2 ASP A 101 -12.203 6.166 -5.704 1.00 0.00 O ATOM 0 H ASP A 101 -10.524 7.441 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.240 7.005 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.937 8.280 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.851 6.938 -3.784 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.395 4.343 -2.543 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.404 2.889 -2.656 1.00 0.00 C ATOM 1561 C GLU A 102 -12.260 2.241 -1.563 1.00 0.00 C ATOM 1562 O GLU A 102 -13.203 1.529 -1.863 1.00 0.00 O ATOM 1563 CB GLU A 102 -9.982 2.328 -2.582 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.081 2.644 -3.769 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.545 2.009 -5.060 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -9.621 0.769 -5.123 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -9.811 2.748 -6.037 1.00 0.00 O1- ATOM 0 H GLU A 102 -10.462 4.752 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.839 2.649 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.508 2.710 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.044 1.245 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.032 3.725 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.069 2.304 -3.548 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.981 2.567 -0.310 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.678 1.956 0.836 1.00 0.00 C ATOM 1576 C VAL A 103 -14.217 2.106 0.740 1.00 0.00 C ATOM 1577 O VAL A 103 -14.965 1.167 1.016 1.00 0.00 O ATOM 1578 CB VAL A 103 -12.168 2.531 2.193 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.897 1.899 3.373 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.669 2.319 2.336 1.00 0.00 C ATOM 0 H VAL A 103 -11.274 3.254 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.444 0.892 0.799 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.377 3.601 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -12.518 2.322 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.965 2.101 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.730 0.822 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.333 2.727 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.447 1.252 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.151 2.825 1.522 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.678 3.265 0.344 1.00 0.00 N ATOM 1591 CA LEU A 104 -16.113 3.494 0.223 1.00 0.00 C ATOM 1592 C LEU A 104 -16.677 2.929 -1.101 1.00 0.00 C ATOM 1593 O LEU A 104 -17.852 2.551 -1.180 1.00 0.00 O ATOM 1594 CB LEU A 104 -16.483 4.996 0.356 1.00 0.00 C ATOM 1595 CG LEU A 104 -16.389 5.663 1.758 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -17.268 4.953 2.772 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -14.954 5.765 2.260 1.00 0.00 C ATOM 0 H LEU A 104 -14.094 4.065 0.099 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.573 2.957 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.839 5.557 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.506 5.118 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.760 6.681 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -17.178 5.446 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -18.306 4.989 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -16.952 3.914 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.945 6.238 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -14.523 4.767 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.367 6.364 1.564 1.00 0.00 H new ATOM 1609 N LYS A 105 -15.849 2.897 -2.119 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.224 2.456 -3.469 1.00 0.00 C ATOM 1611 C LYS A 105 -16.299 0.922 -3.563 1.00 0.00 C ATOM 1612 O LYS A 105 -17.184 0.371 -4.224 1.00 0.00 O ATOM 1613 CB LYS A 105 -15.203 3.022 -4.439 1.00 0.00 C ATOM 1614 CG LYS A 105 -15.417 2.737 -5.917 1.00 0.00 C ATOM 1615 CD LYS A 105 -14.368 3.483 -6.740 1.00 0.00 C ATOM 1616 CE LYS A 105 -12.956 3.049 -6.365 1.00 0.00 C ATOM 1617 NZ LYS A 105 -11.928 3.920 -6.936 1.00 0.00 N1+ ATOM 0 H LYS A 105 -14.872 3.180 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.220 2.823 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.172 4.103 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.222 2.638 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.347 1.666 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.418 3.048 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.537 3.299 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.475 4.556 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.859 3.042 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.791 2.027 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.020 3.413 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.202 4.194 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.830 4.773 -6.349 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.393 0.250 -2.865 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.341 -1.225 -2.758 1.00 0.00 C ATOM 1633 C LEU A 106 -16.619 -1.844 -2.187 1.00 0.00 C ATOM 1634 O LEU A 106 -16.736 -3.039 -2.154 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.102 -1.727 -1.991 1.00 0.00 C ATOM 1636 CG LEU A 106 -12.799 -2.007 -2.797 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -13.028 -3.067 -3.835 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -12.230 -0.779 -3.452 1.00 0.00 C ATOM 0 H LEU A 106 -14.651 0.714 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.255 -1.569 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.866 -0.991 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.379 -2.647 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.068 -2.355 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.103 -3.244 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.344 -3.990 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.803 -2.737 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.324 -1.044 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.962 -0.364 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.991 -0.037 -2.690 1.00 0.00 H new ATOM 1650 N ARG A 107 -17.546 -1.014 -1.694 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.847 -1.454 -1.119 1.00 0.00 C ATOM 1652 C ARG A 107 -19.536 -2.596 -1.938 1.00 0.00 C ATOM 1653 O ARG A 107 -20.184 -3.459 -1.365 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.821 -0.266 -1.001 1.00 0.00 C ATOM 1655 CG ARG A 107 -20.261 0.337 -2.337 1.00 0.00 C ATOM 1656 CD ARG A 107 -21.206 1.514 -2.143 1.00 0.00 C ATOM 1657 NE ARG A 107 -20.544 2.648 -1.483 1.00 0.00 N ATOM 1658 CZ ARG A 107 -21.152 3.744 -1.012 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -22.489 3.858 -1.067 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -20.418 4.726 -0.483 1.00 0.00 N ATOM 0 H ARG A 107 -17.423 -0.002 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 107 -18.612 -1.853 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -20.707 -0.593 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.350 0.514 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -19.383 0.664 -2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -20.753 -0.429 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.592 1.833 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -22.062 1.197 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.531 2.595 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -23.049 3.106 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -22.945 4.696 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.403 4.638 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.873 5.565 -0.122 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.375 -2.588 -3.272 1.00 0.00 N ATOM 1675 CA ASN A 108 -19.954 -3.640 -4.147 1.00 0.00 C ATOM 1676 C ASN A 108 -19.339 -5.003 -3.836 1.00 0.00 C ATOM 1677 O ASN A 108 -19.996 -6.033 -3.877 1.00 0.00 O ATOM 1678 CB ASN A 108 -19.769 -3.280 -5.637 1.00 0.00 C ATOM 1679 CG ASN A 108 -20.090 -4.435 -6.587 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -19.211 -5.187 -6.970 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -21.339 -4.582 -6.960 1.00 0.00 N ATOM 0 H ASN A 108 -18.852 -1.870 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.024 -3.697 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.409 -2.431 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -18.740 -2.961 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.597 -5.343 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.052 -3.936 -6.622 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.107 -4.964 -3.440 1.00 0.00 N ATOM 1689 CA ILE A 109 -17.346 -6.123 -3.078 1.00 0.00 C ATOM 1690 C ILE A 109 -17.861 -6.705 -1.753 1.00 0.00 C ATOM 1691 O ILE A 109 -17.798 -7.909 -1.523 1.00 0.00 O ATOM 1692 CB ILE A 109 -15.828 -5.771 -3.078 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -15.341 -5.525 -4.523 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -14.954 -6.775 -2.361 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -15.516 -6.706 -5.469 1.00 0.00 C ATOM 0 H ILE A 109 -17.582 -4.094 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 109 -17.476 -6.915 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 109 -15.727 -4.853 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -15.878 -4.669 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -14.285 -5.255 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -13.914 -6.452 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.263 -6.847 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.054 -7.750 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -15.146 -6.438 -6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -14.955 -7.561 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -16.573 -6.966 -5.535 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.417 -5.846 -0.895 1.00 0.00 N ATOM 1708 CA LYS A 110 -19.034 -6.331 0.330 1.00 0.00 C ATOM 1709 C LYS A 110 -20.394 -6.984 0.009 1.00 0.00 C ATOM 1710 O LYS A 110 -20.877 -7.845 0.748 1.00 0.00 O ATOM 1711 CB LYS A 110 -19.198 -5.235 1.400 1.00 0.00 C ATOM 1712 CG LYS A 110 -19.788 -5.784 2.694 1.00 0.00 C ATOM 1713 CD LYS A 110 -19.949 -4.752 3.782 1.00 0.00 C ATOM 1714 CE LYS A 110 -20.593 -5.399 5.003 1.00 0.00 C ATOM 1715 NZ LYS A 110 -20.713 -4.473 6.122 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.450 -4.835 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.359 -7.074 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.228 -4.782 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.842 -4.445 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.761 -6.225 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.148 -6.587 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.978 -4.334 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.565 -3.926 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -21.582 -5.771 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -20.000 -6.261 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.963 -5.000 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.807 -3.984 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -21.455 -3.774 5.916 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.984 -6.598 -1.107 1.00 0.00 N ATOM 1730 CA LEU A 111 -22.238 -7.191 -1.537 1.00 0.00 C ATOM 1731 C LEU A 111 -21.986 -8.624 -1.945 1.00 0.00 C ATOM 1732 O LEU A 111 -22.588 -9.525 -1.402 1.00 0.00 O ATOM 1733 CB LEU A 111 -22.876 -6.400 -2.689 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.208 -4.929 -2.402 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -23.800 -4.269 -3.636 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -24.166 -4.809 -1.222 1.00 0.00 C ATOM 0 H LEU A 111 -20.617 -5.879 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.943 -7.162 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.202 -6.438 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -23.795 -6.907 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.283 -4.415 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.030 -3.226 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.082 -4.317 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -24.714 -4.789 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -24.386 -3.758 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -25.091 -5.339 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -23.707 -5.244 -0.335 1.00 0.00 H new ATOM 1748 N GLU A 112 -21.014 -8.839 -2.829 1.00 0.00 N ATOM 1749 CA GLU A 112 -20.674 -10.201 -3.277 1.00 0.00 C ATOM 1750 C GLU A 112 -19.879 -10.970 -2.209 1.00 0.00 C ATOM 1751 O GLU A 112 -19.440 -12.094 -2.409 1.00 0.00 O ATOM 1752 CB GLU A 112 -19.944 -10.197 -4.623 1.00 0.00 C ATOM 1753 CG GLU A 112 -20.746 -9.556 -5.752 1.00 0.00 C ATOM 1754 CD GLU A 112 -22.189 -10.032 -5.784 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -22.438 -11.268 -5.807 1.00 0.00 O ATOM 1756 OE2 GLU A 112 -23.093 -9.181 -5.747 1.00 0.00 O1- ATOM 0 H GLU A 112 -20.449 -8.101 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 112 -21.617 -10.728 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.999 -9.665 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -19.702 -11.223 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -20.727 -8.472 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -20.270 -9.784 -6.706 1.00 0.00 H new ATOM 1763 N HIS A 113 -19.703 -10.328 -1.078 1.00 0.00 N ATOM 1764 CA HIS A 113 -19.117 -10.924 0.103 1.00 0.00 C ATOM 1765 C HIS A 113 -20.195 -11.747 0.811 1.00 0.00 C ATOM 1766 O HIS A 113 -19.896 -12.596 1.647 1.00 0.00 O ATOM 1767 CB HIS A 113 -18.552 -9.808 1.015 1.00 0.00 C ATOM 1768 CG HIS A 113 -18.025 -10.217 2.365 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -16.725 -10.604 2.583 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -18.622 -10.224 3.582 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -16.551 -10.827 3.873 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -17.679 -10.600 4.499 1.00 0.00 N ATOM 0 H HIS A 113 -19.970 -9.352 -0.949 1.00 0.00 H new ATOM 0 HA HIS A 113 -18.290 -11.584 -0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -17.747 -9.308 0.476 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -19.338 -9.069 1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -19.653 -9.978 3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -15.629 -11.145 4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -17.829 -10.689 5.504 1.00 0.00 H new ATOM 1781 N LEU A 114 -21.440 -11.456 0.482 1.00 0.00 N ATOM 1782 CA LEU A 114 -22.567 -12.141 1.044 1.00 0.00 C ATOM 1783 C LEU A 114 -23.640 -12.394 -0.032 1.00 0.00 C ATOM 1784 O LEU A 114 -23.338 -12.337 -1.219 1.00 0.00 O ATOM 1785 CB LEU A 114 -23.116 -11.374 2.297 1.00 0.00 C ATOM 1786 CG LEU A 114 -23.544 -9.881 2.161 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -24.788 -9.698 1.293 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -23.751 -9.260 3.532 1.00 0.00 C ATOM 0 H LEU A 114 -21.689 -10.730 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 114 -22.249 -13.121 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -23.979 -11.928 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -22.350 -11.424 3.071 1.00 0.00 H new ATOM 0 HG LEU A 114 -22.730 -9.364 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.038 -8.639 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -24.592 -10.080 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -25.622 -10.244 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -24.049 -8.218 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -24.531 -9.805 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -22.821 -9.311 4.099 1.00 0.00 H new ATOM 1800 N LYS A 115 -24.855 -12.651 0.441 1.00 0.00 N ATOM 1801 CA LYS A 115 -26.072 -12.975 -0.305 1.00 0.00 C ATOM 1802 C LYS A 115 -25.886 -14.098 -1.351 1.00 0.00 C ATOM 1803 O LYS A 115 -26.116 -15.249 -0.988 1.00 0.00 O ATOM 1804 CB LYS A 115 -26.968 -11.762 -0.820 1.00 0.00 C ATOM 1805 CG LYS A 115 -26.681 -11.201 -2.210 1.00 0.00 C ATOM 1806 CD LYS A 115 -25.445 -10.373 -2.263 1.00 0.00 C ATOM 1807 CE LYS A 115 -24.783 -10.493 -3.611 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.161 -11.828 -3.798 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -25.487 -13.809 -2.522 1.00 0.00 O1- ATOM 0 H LYS A 115 -25.032 -12.637 1.445 1.00 0.00 H new ATOM 0 HA LYS A 115 -26.700 -13.388 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -28.010 -12.083 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -26.870 -10.946 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -26.589 -12.026 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -27.529 -10.598 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.691 -9.330 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.754 -10.692 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -25.520 -10.321 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -24.022 -9.719 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.715 -11.875 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -23.440 -11.981 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.891 -12.565 -3.725 1.00 0.00 H new