USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 798 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 106 GLN : amide:sc= 1.33 K(o=2.1,f=-3.4) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -175:sc= 1.19 (180deg=0) USER MOD Set 1.3: A 110 GLN : amide:sc= -0.4 K(o=2.1,f=-3.4) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= 0.673 K(o=0.67,f=-4.9!) USER MOD Single : A 18 ASN : amide:sc= -0.0845 K(o=-0.084,f=-4.6!) USER MOD Single : A 21 THR OG1 : rot 38:sc= 0.141 USER MOD Single : A 22 GLN : amide:sc= 0.172 X(o=0.17,f=-0.08) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 36 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.13) USER MOD Single : A 44 THR OG1 : rot 155:sc= -0.0177 USER MOD Single : A 46 ASN : amide:sc= -0.0196 K(o=-0.02,f=0.95) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc=-0.00142 (180deg=-0.0697) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 1.12 (180deg=1.04) USER MOD Single : A 58 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 60 SER OG : rot 70:sc= 1.07 USER MOD Single : A 67 SER OG : rot -79:sc= 0.274 USER MOD Single : A 70 TYR OH : rot 180:sc= 0.235 USER MOD Single : A 72 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.6) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -0.793 (180deg=-2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= 0.951 (180deg=0.476) USER MOD Single : A 94 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0662) USER MOD Single : A 103 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.319) USER MOD Single : A 112 SER OG : rot 75:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 11.319 11.756 4.214 1.00 0.00 N ATOM 2 CA ASN A 18 10.442 12.304 3.175 1.00 0.00 C ATOM 3 C ASN A 18 10.525 11.541 1.833 1.00 0.00 C ATOM 4 O ASN A 18 9.579 11.583 1.056 1.00 0.00 O ATOM 5 CB ASN A 18 10.689 13.823 2.952 1.00 0.00 C ATOM 6 CG ASN A 18 12.139 14.186 2.634 1.00 0.00 C ATOM 7 OD1 ASN A 18 12.893 13.387 2.093 1.00 0.00 O ATOM 8 ND2 ASN A 18 12.531 15.394 2.948 1.00 0.00 N ATOM 0 HA ASN A 18 9.429 12.167 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.054 14.166 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.379 14.364 3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.485 15.690 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.882 16.040 3.398 1.00 0.00 H new ATOM 17 N THR A 19 11.623 10.825 1.556 1.00 0.00 N ATOM 18 CA THR A 19 11.763 10.178 0.254 1.00 0.00 C ATOM 19 C THR A 19 10.805 8.980 0.096 1.00 0.00 C ATOM 20 O THR A 19 10.117 8.855 -0.929 1.00 0.00 O ATOM 21 CB THR A 19 13.252 9.771 -0.080 1.00 0.00 C ATOM 22 OG1 THR A 19 13.341 9.310 -1.439 1.00 0.00 O ATOM 23 CG2 THR A 19 13.775 8.670 0.843 1.00 0.00 C ATOM 0 H THR A 19 12.403 10.684 2.197 1.00 0.00 H new ATOM 0 HA THR A 19 11.476 10.930 -0.480 1.00 0.00 H new ATOM 0 HB THR A 19 13.864 10.661 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.267 9.061 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.802 8.426 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.744 9.016 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.152 7.782 0.739 1.00 0.00 H new ATOM 31 N ALA A 20 10.717 8.153 1.122 1.00 0.00 N ATOM 32 CA ALA A 20 9.907 6.960 1.085 1.00 0.00 C ATOM 33 C ALA A 20 8.440 7.298 1.053 1.00 0.00 C ATOM 34 O ALA A 20 7.666 6.688 0.328 1.00 0.00 O ATOM 35 CB ALA A 20 10.213 6.089 2.252 1.00 0.00 C ATOM 0 H ALA A 20 11.209 8.295 2.004 1.00 0.00 H new ATOM 0 HA ALA A 20 10.147 6.419 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.594 5.193 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.265 5.804 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.005 6.631 3.175 1.00 0.00 H new ATOM 41 N THR A 21 8.071 8.288 1.805 1.00 0.00 N ATOM 42 CA THR A 21 6.716 8.714 1.861 1.00 0.00 C ATOM 43 C THR A 21 6.298 9.390 0.562 1.00 0.00 C ATOM 44 O THR A 21 5.171 9.248 0.119 1.00 0.00 O ATOM 45 CB THR A 21 6.524 9.633 3.044 1.00 0.00 C ATOM 46 OG1 THR A 21 7.690 10.477 3.166 1.00 0.00 O ATOM 47 CG2 THR A 21 6.326 8.840 4.322 1.00 0.00 C ATOM 0 H THR A 21 8.707 8.822 2.397 1.00 0.00 H new ATOM 0 HA THR A 21 6.076 7.841 1.988 1.00 0.00 H new ATOM 0 HB THR A 21 5.633 10.240 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.002 10.735 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.190 9.526 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.444 8.207 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.202 8.216 4.503 1.00 0.00 H new ATOM 55 N GLN A 22 7.235 10.087 -0.064 1.00 0.00 N ATOM 56 CA GLN A 22 6.983 10.728 -1.337 1.00 0.00 C ATOM 57 C GLN A 22 6.801 9.673 -2.433 1.00 0.00 C ATOM 58 O GLN A 22 5.906 9.794 -3.283 1.00 0.00 O ATOM 59 CB GLN A 22 8.124 11.691 -1.695 1.00 0.00 C ATOM 60 CG GLN A 22 7.910 12.479 -2.978 1.00 0.00 C ATOM 61 CD GLN A 22 6.659 13.329 -2.934 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.691 14.480 -2.515 1.00 0.00 O ATOM 63 NE2 GLN A 22 5.562 12.780 -3.374 1.00 0.00 N ATOM 0 H GLN A 22 8.180 10.221 0.295 1.00 0.00 H new ATOM 0 HA GLN A 22 6.064 11.308 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.261 12.393 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.048 11.120 -1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.774 13.119 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.847 11.788 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.574 11.819 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.691 13.311 -3.377 1.00 0.00 H new ATOM 72 N ARG A 23 7.612 8.617 -2.384 1.00 0.00 N ATOM 73 CA ARG A 23 7.548 7.557 -3.393 1.00 0.00 C ATOM 74 C ARG A 23 6.361 6.624 -3.139 1.00 0.00 C ATOM 75 O ARG A 23 5.953 5.880 -4.026 1.00 0.00 O ATOM 76 CB ARG A 23 8.872 6.756 -3.486 1.00 0.00 C ATOM 77 CG ARG A 23 9.193 5.911 -2.262 1.00 0.00 C ATOM 78 CD ARG A 23 10.579 5.275 -2.336 1.00 0.00 C ATOM 79 NE ARG A 23 10.703 4.364 -3.473 1.00 0.00 N ATOM 80 CZ ARG A 23 11.805 3.684 -3.816 1.00 0.00 C ATOM 81 NH1 ARG A 23 12.933 3.771 -3.086 1.00 0.00 N ATOM 82 NH2 ARG A 23 11.770 2.903 -4.886 1.00 0.00 N ATOM 0 H ARG A 23 8.317 8.472 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 23 7.400 8.045 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.825 6.104 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.692 7.454 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.130 6.533 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.442 5.127 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.333 6.058 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.778 4.732 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 23 9.877 4.235 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.959 4.363 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.762 3.245 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.913 2.827 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.600 2.378 -5.162 1.00 0.00 H new ATOM 96 N PHE A 24 5.814 6.653 -1.929 1.00 0.00 N ATOM 97 CA PHE A 24 4.655 5.827 -1.615 1.00 0.00 C ATOM 98 C PHE A 24 3.411 6.678 -1.421 1.00 0.00 C ATOM 99 O PHE A 24 2.364 6.188 -0.993 1.00 0.00 O ATOM 100 CB PHE A 24 4.901 4.894 -0.397 1.00 0.00 C ATOM 101 CG PHE A 24 5.830 3.705 -0.657 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.337 3.445 -1.925 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.171 2.829 0.372 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.153 2.362 -2.161 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.990 1.746 0.128 1.00 0.00 C ATOM 106 CZ PHE A 24 7.478 1.514 -1.137 1.00 0.00 C ATOM 0 H PHE A 24 6.149 7.232 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 24 4.488 5.177 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.318 5.488 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.939 4.513 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.086 4.106 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.791 2.999 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.537 2.181 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.249 1.077 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.117 0.663 -1.322 1.00 0.00 H new ATOM 116 N HIS A 25 3.499 7.937 -1.822 1.00 0.00 N ATOM 117 CA HIS A 25 2.389 8.873 -1.654 1.00 0.00 C ATOM 118 C HIS A 25 1.253 8.527 -2.612 1.00 0.00 C ATOM 119 O HIS A 25 0.084 8.795 -2.333 1.00 0.00 O ATOM 120 CB HIS A 25 2.848 10.325 -1.844 1.00 0.00 C ATOM 121 CG HIS A 25 1.797 11.331 -1.492 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.242 12.192 -2.398 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.205 11.604 -0.309 1.00 0.00 C ATOM 124 CE1 HIS A 25 0.358 12.949 -1.797 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.316 12.608 -0.528 1.00 0.00 N ATOM 0 H HIS A 25 4.325 8.337 -2.266 1.00 0.00 H new ATOM 0 HA HIS A 25 2.019 8.780 -0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.731 10.503 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.147 10.471 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.401 11.116 0.634 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.235 13.721 -2.264 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.287 13.029 0.179 1.00 0.00 H new ATOM 134 N GLU A 26 1.609 7.920 -3.723 1.00 0.00 N ATOM 135 CA GLU A 26 0.644 7.431 -4.690 1.00 0.00 C ATOM 136 C GLU A 26 -0.246 6.376 -4.027 1.00 0.00 C ATOM 137 O GLU A 26 -1.475 6.393 -4.157 1.00 0.00 O ATOM 138 CB GLU A 26 1.397 6.838 -5.873 1.00 0.00 C ATOM 139 CG GLU A 26 0.530 6.245 -6.958 1.00 0.00 C ATOM 140 CD GLU A 26 1.349 5.819 -8.135 1.00 0.00 C ATOM 141 OE1 GLU A 26 1.644 6.671 -8.999 1.00 0.00 O ATOM 142 OE2 GLU A 26 1.744 4.640 -8.220 1.00 0.00 O ATOM 0 H GLU A 26 2.580 7.750 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 26 0.010 8.244 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.020 7.617 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.069 6.063 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.016 5.388 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.212 6.978 -7.275 1.00 0.00 H new ATOM 149 N ILE A 27 0.387 5.523 -3.245 1.00 0.00 N ATOM 150 CA ILE A 27 -0.294 4.459 -2.546 1.00 0.00 C ATOM 151 C ILE A 27 -1.188 5.057 -1.460 1.00 0.00 C ATOM 152 O ILE A 27 -2.274 4.555 -1.189 1.00 0.00 O ATOM 153 CB ILE A 27 0.683 3.376 -1.953 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.518 2.687 -3.059 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.082 2.317 -1.165 1.00 0.00 C ATOM 156 CD1 ILE A 27 2.705 3.466 -3.581 1.00 0.00 C ATOM 0 H ILE A 27 1.393 5.552 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.907 3.927 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 27 1.362 3.903 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.877 1.733 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.859 2.464 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.619 1.583 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.616 2.791 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.795 1.819 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.212 2.884 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.363 4.409 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.397 3.667 -2.763 1.00 0.00 H new ATOM 168 N GLU A 28 -0.733 6.150 -0.860 1.00 0.00 N ATOM 169 CA GLU A 28 -1.526 6.859 0.132 1.00 0.00 C ATOM 170 C GLU A 28 -2.844 7.356 -0.499 1.00 0.00 C ATOM 171 O GLU A 28 -3.910 7.326 0.139 1.00 0.00 O ATOM 172 CB GLU A 28 -0.747 8.025 0.734 1.00 0.00 C ATOM 173 CG GLU A 28 -1.463 8.694 1.888 1.00 0.00 C ATOM 174 CD GLU A 28 -0.747 9.903 2.404 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.233 9.759 3.160 1.00 0.00 O ATOM 176 OE2 GLU A 28 -1.170 11.027 2.085 1.00 0.00 O ATOM 0 H GLU A 28 0.181 6.563 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.760 6.165 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.223 7.666 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.556 8.765 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.465 8.982 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.581 7.976 2.699 1.00 0.00 H new ATOM 183 N LYS A 29 -2.772 7.782 -1.762 1.00 0.00 N ATOM 184 CA LYS A 29 -3.971 8.181 -2.491 1.00 0.00 C ATOM 185 C LYS A 29 -4.898 7.005 -2.689 1.00 0.00 C ATOM 186 O LYS A 29 -6.113 7.148 -2.594 1.00 0.00 O ATOM 187 CB LYS A 29 -3.680 8.848 -3.832 1.00 0.00 C ATOM 188 CG LYS A 29 -3.211 10.283 -3.735 1.00 0.00 C ATOM 189 CD LYS A 29 -3.176 10.914 -5.111 1.00 0.00 C ATOM 190 CE LYS A 29 -2.917 12.404 -5.043 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.939 13.024 -6.383 1.00 0.00 N ATOM 0 H LYS A 29 -1.905 7.858 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.458 8.931 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.921 8.266 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.583 8.815 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.878 10.848 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.219 10.320 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.399 10.438 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.124 10.733 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.670 12.876 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.949 12.584 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.758 14.044 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.204 12.591 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.871 12.874 -6.820 1.00 0.00 H new ATOM 205 N PHE A 30 -4.327 5.843 -2.958 1.00 0.00 N ATOM 206 CA PHE A 30 -5.121 4.628 -3.069 1.00 0.00 C ATOM 207 C PHE A 30 -5.853 4.333 -1.778 1.00 0.00 C ATOM 208 O PHE A 30 -7.023 4.023 -1.805 1.00 0.00 O ATOM 209 CB PHE A 30 -4.287 3.426 -3.477 1.00 0.00 C ATOM 210 CG PHE A 30 -3.973 3.355 -4.945 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.903 4.036 -5.486 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.765 2.590 -5.785 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.627 3.963 -6.835 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.494 2.511 -7.132 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.425 3.200 -7.659 1.00 0.00 C ATOM 0 H PHE A 30 -3.326 5.714 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.851 4.809 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.351 3.443 -2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.815 2.518 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.273 4.634 -4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.606 2.049 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.786 4.503 -7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.119 1.909 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.212 3.142 -8.716 1.00 0.00 H new ATOM 225 N LEU A 31 -5.167 4.501 -0.650 1.00 0.00 N ATOM 226 CA LEU A 31 -5.755 4.234 0.675 1.00 0.00 C ATOM 227 C LEU A 31 -7.004 5.080 0.872 1.00 0.00 C ATOM 228 O LEU A 31 -8.078 4.568 1.232 1.00 0.00 O ATOM 229 CB LEU A 31 -4.759 4.584 1.801 1.00 0.00 C ATOM 230 CG LEU A 31 -3.391 3.898 1.794 1.00 0.00 C ATOM 231 CD1 LEU A 31 -2.519 4.461 2.903 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.542 2.413 1.980 1.00 0.00 C ATOM 0 H LEU A 31 -4.199 4.822 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.001 3.173 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.592 5.661 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.240 4.359 2.753 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.919 4.087 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.548 3.966 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.383 5.532 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.000 4.290 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.558 1.943 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.032 2.214 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.146 2.004 1.170 1.00 0.00 H new ATOM 244 N LEU A 32 -6.879 6.365 0.568 1.00 0.00 N ATOM 245 CA LEU A 32 -7.984 7.273 0.733 1.00 0.00 C ATOM 246 C LEU A 32 -9.073 6.981 -0.282 1.00 0.00 C ATOM 247 O LEU A 32 -10.265 7.091 0.018 1.00 0.00 O ATOM 248 CB LEU A 32 -7.533 8.766 0.778 1.00 0.00 C ATOM 249 CG LEU A 32 -6.850 9.371 -0.468 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.860 9.805 -1.530 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.937 10.523 -0.083 1.00 0.00 C ATOM 0 H LEU A 32 -6.025 6.791 0.209 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.425 7.099 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.412 9.371 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.848 8.880 1.618 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.241 8.583 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.331 10.224 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.444 8.942 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.527 10.559 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.469 10.931 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.521 11.302 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.166 10.164 0.598 1.00 0.00 H new ATOM 263 N HIS A 33 -8.656 6.574 -1.467 1.00 0.00 N ATOM 264 CA HIS A 33 -9.575 6.239 -2.523 1.00 0.00 C ATOM 265 C HIS A 33 -10.404 5.020 -2.133 1.00 0.00 C ATOM 266 O HIS A 33 -11.595 4.993 -2.388 1.00 0.00 O ATOM 267 CB HIS A 33 -8.848 5.997 -3.860 1.00 0.00 C ATOM 268 CG HIS A 33 -9.784 5.786 -5.014 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.873 4.615 -5.721 1.00 0.00 N ATOM 270 CD2 HIS A 33 -10.686 6.621 -5.571 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.782 4.736 -6.646 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.296 5.945 -6.578 1.00 0.00 N ATOM 0 H HIS A 33 -7.673 6.469 -1.717 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.241 7.090 -2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.204 6.849 -4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.201 5.125 -3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -9.314 3.779 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.886 7.639 -5.271 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.067 3.970 -7.352 1.00 0.00 H new ATOM 281 N ILE A 34 -9.777 4.038 -1.481 1.00 0.00 N ATOM 282 CA ILE A 34 -10.471 2.844 -1.063 1.00 0.00 C ATOM 283 C ILE A 34 -11.565 3.207 -0.058 1.00 0.00 C ATOM 284 O ILE A 34 -12.720 2.811 -0.229 1.00 0.00 O ATOM 285 CB ILE A 34 -9.480 1.810 -0.439 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.403 1.395 -1.447 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.201 0.588 0.069 1.00 0.00 C ATOM 288 CD1 ILE A 34 -8.941 0.789 -2.717 1.00 0.00 C ATOM 0 H ILE A 34 -8.787 4.058 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.928 2.384 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.999 2.303 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.804 2.269 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.734 0.678 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.480 -0.109 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.919 0.881 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.726 0.106 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.112 0.524 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.515 -0.106 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.586 1.510 -3.219 1.00 0.00 H new ATOM 300 N THR A 35 -11.215 4.042 0.927 1.00 0.00 N ATOM 301 CA THR A 35 -12.175 4.499 1.933 1.00 0.00 C ATOM 302 C THR A 35 -13.329 5.261 1.246 1.00 0.00 C ATOM 303 O THR A 35 -14.507 5.096 1.592 1.00 0.00 O ATOM 304 CB THR A 35 -11.488 5.460 2.905 1.00 0.00 C ATOM 305 OG1 THR A 35 -10.223 4.917 3.320 1.00 0.00 O ATOM 306 CG2 THR A 35 -12.347 5.706 4.138 1.00 0.00 C ATOM 0 H THR A 35 -10.273 4.414 1.047 1.00 0.00 H new ATOM 0 HA THR A 35 -12.559 3.630 2.467 1.00 0.00 H new ATOM 0 HB THR A 35 -11.338 6.407 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.788 5.538 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.832 6.393 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.300 6.140 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.525 4.761 4.652 1.00 0.00 H new ATOM 314 N HIS A 36 -12.963 6.065 0.258 1.00 0.00 N ATOM 315 CA HIS A 36 -13.900 6.863 -0.517 1.00 0.00 C ATOM 316 C HIS A 36 -14.925 5.983 -1.217 1.00 0.00 C ATOM 317 O HIS A 36 -16.122 6.265 -1.163 1.00 0.00 O ATOM 318 CB HIS A 36 -13.132 7.710 -1.543 1.00 0.00 C ATOM 319 CG HIS A 36 -13.991 8.482 -2.488 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.269 8.057 -3.771 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.621 9.661 -2.342 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.022 8.941 -4.363 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.251 9.922 -3.518 1.00 0.00 N ATOM 0 H HIS A 36 -11.992 6.182 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.439 7.522 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.488 8.408 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.481 7.054 -2.120 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -13.938 7.188 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.626 10.282 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.394 8.878 -5.375 1.00 0.00 H new ATOM 332 N GLU A 37 -14.453 4.927 -1.855 1.00 0.00 N ATOM 333 CA GLU A 37 -15.326 4.014 -2.572 1.00 0.00 C ATOM 334 C GLU A 37 -16.267 3.327 -1.599 1.00 0.00 C ATOM 335 O GLU A 37 -17.412 3.054 -1.932 1.00 0.00 O ATOM 336 CB GLU A 37 -14.534 2.964 -3.357 1.00 0.00 C ATOM 337 CG GLU A 37 -13.461 3.526 -4.279 1.00 0.00 C ATOM 338 CD GLU A 37 -13.963 4.568 -5.252 1.00 0.00 C ATOM 339 OE1 GLU A 37 -14.443 4.202 -6.336 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.802 5.784 -4.983 1.00 0.00 O ATOM 0 H GLU A 37 -13.464 4.679 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.900 4.601 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.063 2.282 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.231 2.375 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.669 3.964 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.015 2.706 -4.841 1.00 0.00 H new ATOM 347 N VAL A 38 -15.787 3.095 -0.371 1.00 0.00 N ATOM 348 CA VAL A 38 -16.579 2.446 0.641 1.00 0.00 C ATOM 349 C VAL A 38 -17.742 3.329 0.991 1.00 0.00 C ATOM 350 O VAL A 38 -18.882 2.904 0.934 1.00 0.00 O ATOM 351 CB VAL A 38 -15.775 2.128 1.944 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.651 1.404 2.948 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.561 1.281 1.651 1.00 0.00 C ATOM 0 H VAL A 38 -14.848 3.354 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.909 1.493 0.227 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.447 3.081 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.074 1.191 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.505 2.031 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.005 0.469 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.026 1.079 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.875 0.339 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.905 1.812 0.962 1.00 0.00 H new ATOM 363 N ASP A 39 -17.451 4.576 1.271 1.00 0.00 N ATOM 364 CA ASP A 39 -18.483 5.506 1.691 1.00 0.00 C ATOM 365 C ASP A 39 -19.467 5.740 0.541 1.00 0.00 C ATOM 366 O ASP A 39 -20.723 5.807 0.727 1.00 0.00 O ATOM 367 CB ASP A 39 -17.867 6.826 2.157 1.00 0.00 C ATOM 368 CG ASP A 39 -18.855 7.751 2.855 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.603 8.490 2.174 1.00 0.00 O ATOM 370 OD2 ASP A 39 -18.871 7.780 4.115 1.00 0.00 O ATOM 0 H ASP A 39 -16.513 4.974 1.218 1.00 0.00 H new ATOM 0 HA ASP A 39 -19.023 5.076 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.042 6.612 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.445 7.344 1.296 1.00 0.00 H new ATOM 375 N ASP A 40 -18.911 5.793 -0.659 1.00 0.00 N ATOM 376 CA ASP A 40 -19.688 5.992 -1.838 1.00 0.00 C ATOM 377 C ASP A 40 -20.658 4.876 -2.035 1.00 0.00 C ATOM 378 O ASP A 40 -21.823 5.128 -2.191 1.00 0.00 O ATOM 379 CB ASP A 40 -18.830 6.175 -3.079 1.00 0.00 C ATOM 380 CG ASP A 40 -19.684 6.270 -4.322 1.00 0.00 C ATOM 381 OD1 ASP A 40 -20.610 7.121 -4.363 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.477 5.490 -5.258 1.00 0.00 O ATOM 0 H ASP A 40 -17.909 5.698 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.243 6.919 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -18.227 7.078 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -18.138 5.338 -3.173 1.00 0.00 H new ATOM 387 N LEU A 41 -20.201 3.652 -1.914 1.00 0.00 N ATOM 388 CA LEU A 41 -21.060 2.514 -2.116 1.00 0.00 C ATOM 389 C LEU A 41 -22.103 2.457 -1.039 1.00 0.00 C ATOM 390 O LEU A 41 -23.226 2.060 -1.291 1.00 0.00 O ATOM 391 CB LEU A 41 -20.279 1.210 -2.254 1.00 0.00 C ATOM 392 CG LEU A 41 -19.467 0.731 -1.060 1.00 0.00 C ATOM 393 CD1 LEU A 41 -20.308 -0.019 -0.041 1.00 0.00 C ATOM 394 CD2 LEU A 41 -18.343 -0.103 -1.524 1.00 0.00 C ATOM 0 H LEU A 41 -19.237 3.421 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.573 2.641 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.987 0.423 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.598 1.317 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.081 1.614 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.677 -0.337 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -21.096 0.635 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.756 -0.894 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.764 -0.444 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.730 -0.966 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.703 0.483 -2.183 1.00 0.00 H new ATOM 406 N GLU A 42 -21.724 2.887 0.164 1.00 0.00 N ATOM 407 CA GLU A 42 -22.633 2.927 1.282 1.00 0.00 C ATOM 408 C GLU A 42 -23.831 3.824 0.966 1.00 0.00 C ATOM 409 O GLU A 42 -24.920 3.605 1.480 1.00 0.00 O ATOM 410 CB GLU A 42 -21.947 3.432 2.565 1.00 0.00 C ATOM 411 CG GLU A 42 -20.852 2.534 3.149 1.00 0.00 C ATOM 412 CD GLU A 42 -21.354 1.199 3.631 1.00 0.00 C ATOM 413 OE1 GLU A 42 -22.326 1.172 4.427 1.00 0.00 O ATOM 414 OE2 GLU A 42 -20.797 0.145 3.235 1.00 0.00 O ATOM 0 H GLU A 42 -20.782 3.213 0.379 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.971 1.905 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -21.513 4.410 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.712 3.578 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.086 2.371 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.374 3.053 3.979 1.00 0.00 H new ATOM 421 N LYS A 43 -23.637 4.844 0.122 1.00 0.00 N ATOM 422 CA LYS A 43 -24.764 5.698 -0.227 1.00 0.00 C ATOM 423 C LYS A 43 -25.276 5.456 -1.650 1.00 0.00 C ATOM 424 O LYS A 43 -26.342 5.924 -2.025 1.00 0.00 O ATOM 425 CB LYS A 43 -24.516 7.207 0.108 1.00 0.00 C ATOM 426 CG LYS A 43 -23.392 7.970 -0.639 1.00 0.00 C ATOM 427 CD LYS A 43 -23.772 8.303 -2.078 1.00 0.00 C ATOM 428 CE LYS A 43 -22.888 9.392 -2.692 1.00 0.00 C ATOM 429 NZ LYS A 43 -21.453 9.045 -2.766 1.00 0.00 N ATOM 0 H LYS A 43 -22.747 5.087 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.584 5.397 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.450 7.741 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.307 7.277 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.165 8.892 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.484 7.367 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.702 7.400 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.812 8.627 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.248 9.611 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.999 10.305 -2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.940 9.797 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.069 8.947 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.339 8.146 -3.277 1.00 0.00 H new ATOM 443 N THR A 44 -24.513 4.726 -2.414 1.00 0.00 N ATOM 444 CA THR A 44 -24.769 4.537 -3.812 1.00 0.00 C ATOM 445 C THR A 44 -25.299 3.125 -4.159 1.00 0.00 C ATOM 446 O THR A 44 -26.267 2.986 -4.909 1.00 0.00 O ATOM 447 CB THR A 44 -23.474 4.872 -4.588 1.00 0.00 C ATOM 448 OG1 THR A 44 -23.174 6.279 -4.487 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.525 4.474 -6.013 1.00 0.00 C ATOM 0 H THR A 44 -23.683 4.238 -2.077 1.00 0.00 H new ATOM 0 HA THR A 44 -25.573 5.210 -4.109 1.00 0.00 H new ATOM 0 HB THR A 44 -22.681 4.287 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.212 6.418 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.585 4.738 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.681 3.398 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.346 4.993 -6.507 1.00 0.00 H new ATOM 457 N GLY A 45 -24.713 2.108 -3.589 1.00 0.00 N ATOM 458 CA GLY A 45 -25.091 0.762 -3.941 1.00 0.00 C ATOM 459 C GLY A 45 -24.590 -0.248 -2.947 1.00 0.00 C ATOM 460 O GLY A 45 -25.272 -0.498 -1.958 1.00 0.00 O ATOM 0 H GLY A 45 -23.978 2.181 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.177 0.697 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.698 0.523 -4.929 1.00 0.00 H new ATOM 464 N ASN A 46 -23.351 -0.738 -3.202 1.00 0.00 N ATOM 465 CA ASN A 46 -22.590 -1.812 -2.441 1.00 0.00 C ATOM 466 C ASN A 46 -22.489 -3.096 -3.249 1.00 0.00 C ATOM 467 O ASN A 46 -21.773 -4.018 -2.866 1.00 0.00 O ATOM 468 CB ASN A 46 -23.152 -2.156 -1.008 1.00 0.00 C ATOM 469 CG ASN A 46 -24.187 -3.324 -0.969 1.00 0.00 C ATOM 470 OD1 ASN A 46 -25.396 -3.139 -1.155 1.00 0.00 O ATOM 471 ND2 ASN A 46 -23.718 -4.516 -0.680 1.00 0.00 N ATOM 0 H ASN A 46 -22.806 -0.385 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.606 -1.369 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.315 -2.410 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.619 -1.263 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.354 -5.310 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.718 -4.648 -0.530 1.00 0.00 H new ATOM 478 N LYS A 47 -23.120 -3.114 -4.405 1.00 0.00 N ATOM 479 CA LYS A 47 -23.335 -4.369 -5.135 1.00 0.00 C ATOM 480 C LYS A 47 -22.061 -5.077 -5.622 1.00 0.00 C ATOM 481 O LYS A 47 -21.902 -6.276 -5.392 1.00 0.00 O ATOM 482 CB LYS A 47 -24.371 -4.198 -6.247 1.00 0.00 C ATOM 483 CG LYS A 47 -25.726 -3.659 -5.756 1.00 0.00 C ATOM 484 CD LYS A 47 -26.332 -4.506 -4.629 1.00 0.00 C ATOM 485 CE LYS A 47 -26.659 -5.933 -5.068 1.00 0.00 C ATOM 486 NZ LYS A 47 -27.704 -5.967 -6.107 1.00 0.00 N ATOM 0 H LYS A 47 -23.495 -2.285 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 47 -23.740 -5.057 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -23.972 -3.519 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.528 -5.160 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -25.599 -2.635 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.423 -3.625 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.635 -4.540 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -27.241 -4.025 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.756 -6.411 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.988 -6.511 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.979 -6.953 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -28.534 -5.431 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.337 -5.541 -6.982 1.00 0.00 H new ATOM 500 N ASP A 48 -21.166 -4.366 -6.261 1.00 0.00 N ATOM 501 CA ASP A 48 -19.886 -4.980 -6.683 1.00 0.00 C ATOM 502 C ASP A 48 -18.728 -4.163 -6.163 1.00 0.00 C ATOM 503 O ASP A 48 -17.596 -4.604 -6.143 1.00 0.00 O ATOM 504 CB ASP A 48 -19.764 -5.113 -8.229 1.00 0.00 C ATOM 505 CG ASP A 48 -19.451 -3.800 -8.966 1.00 0.00 C ATOM 506 OD1 ASP A 48 -20.369 -2.975 -9.154 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.298 -3.611 -9.420 1.00 0.00 O ATOM 0 H ASP A 48 -21.275 -3.382 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 48 -19.864 -5.985 -6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -18.981 -5.837 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.697 -5.519 -8.620 1.00 0.00 H new ATOM 512 N GLU A 49 -19.072 -3.015 -5.659 1.00 0.00 N ATOM 513 CA GLU A 49 -18.155 -1.961 -5.264 1.00 0.00 C ATOM 514 C GLU A 49 -17.318 -2.330 -4.050 1.00 0.00 C ATOM 515 O GLU A 49 -16.145 -1.994 -3.990 1.00 0.00 O ATOM 516 CB GLU A 49 -18.998 -0.736 -4.995 1.00 0.00 C ATOM 517 CG GLU A 49 -19.889 -0.370 -6.173 1.00 0.00 C ATOM 518 CD GLU A 49 -21.139 0.351 -5.756 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.135 1.586 -5.666 1.00 0.00 O ATOM 520 OE2 GLU A 49 -22.163 -0.336 -5.532 1.00 0.00 O ATOM 0 H GLU A 49 -20.048 -2.765 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.433 -1.782 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.618 -0.912 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.346 0.106 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.328 0.257 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.161 -1.277 -6.712 1.00 0.00 H new ATOM 527 N LYS A 50 -17.904 -3.039 -3.111 1.00 0.00 N ATOM 528 CA LYS A 50 -17.215 -3.378 -1.858 1.00 0.00 C ATOM 529 C LYS A 50 -16.085 -4.329 -2.182 1.00 0.00 C ATOM 530 O LYS A 50 -14.940 -4.130 -1.800 1.00 0.00 O ATOM 531 CB LYS A 50 -18.218 -4.017 -0.871 1.00 0.00 C ATOM 532 CG LYS A 50 -17.903 -3.900 0.621 1.00 0.00 C ATOM 533 CD LYS A 50 -17.874 -2.448 1.027 1.00 0.00 C ATOM 534 CE LYS A 50 -18.232 -2.219 2.499 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.663 -2.503 2.773 1.00 0.00 N ATOM 0 H LYS A 50 -18.856 -3.398 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.807 -2.484 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.196 -3.568 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.305 -5.076 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.654 -4.434 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.941 -4.366 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.879 -2.045 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.570 -1.890 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.609 -2.856 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.009 -1.187 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.922 -2.117 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.252 -2.060 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.820 -3.531 2.769 1.00 0.00 H new ATOM 549 N ALA A 51 -16.425 -5.305 -2.957 1.00 0.00 N ATOM 550 CA ALA A 51 -15.493 -6.314 -3.414 1.00 0.00 C ATOM 551 C ALA A 51 -14.478 -5.694 -4.374 1.00 0.00 C ATOM 552 O ALA A 51 -13.293 -6.046 -4.370 1.00 0.00 O ATOM 553 CB ALA A 51 -16.247 -7.442 -4.099 1.00 0.00 C ATOM 0 H ALA A 51 -17.375 -5.437 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.958 -6.720 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.540 -8.198 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -16.947 -7.892 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -16.796 -7.046 -4.954 1.00 0.00 H new ATOM 559 N ARG A 52 -14.961 -4.761 -5.165 1.00 0.00 N ATOM 560 CA ARG A 52 -14.184 -4.041 -6.158 1.00 0.00 C ATOM 561 C ARG A 52 -13.093 -3.221 -5.491 1.00 0.00 C ATOM 562 O ARG A 52 -11.929 -3.305 -5.880 1.00 0.00 O ATOM 563 CB ARG A 52 -15.130 -3.146 -6.936 1.00 0.00 C ATOM 564 CG ARG A 52 -14.586 -2.442 -8.147 1.00 0.00 C ATOM 565 CD ARG A 52 -15.734 -1.722 -8.822 1.00 0.00 C ATOM 566 NE ARG A 52 -15.365 -1.081 -10.075 1.00 0.00 N ATOM 567 CZ ARG A 52 -16.144 -1.068 -11.171 1.00 0.00 C ATOM 568 NH1 ARG A 52 -17.289 -1.777 -11.204 1.00 0.00 N ATOM 569 NH2 ARG A 52 -15.771 -0.354 -12.235 1.00 0.00 N ATOM 0 H ARG A 52 -15.938 -4.471 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.696 -4.743 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.980 -3.751 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.515 -2.389 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.808 -1.735 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.129 -3.157 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.537 -2.434 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.130 -0.968 -8.141 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.460 -0.613 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.571 -2.329 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.874 -1.762 -12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.900 0.177 -12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.357 -0.339 -13.070 1.00 0.00 H new ATOM 583 N LEU A 53 -13.448 -2.454 -4.462 1.00 0.00 N ATOM 584 CA LEU A 53 -12.423 -1.659 -3.766 1.00 0.00 C ATOM 585 C LEU A 53 -11.450 -2.576 -3.016 1.00 0.00 C ATOM 586 O LEU A 53 -10.273 -2.265 -2.881 1.00 0.00 O ATOM 587 CB LEU A 53 -13.059 -0.642 -2.825 1.00 0.00 C ATOM 588 CG LEU A 53 -13.820 -1.231 -1.658 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.960 -1.396 -0.411 1.00 0.00 C ATOM 590 CD2 LEU A 53 -15.053 -0.460 -1.371 1.00 0.00 C ATOM 0 H LEU A 53 -14.396 -2.362 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.858 -1.103 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.276 0.008 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.738 -0.013 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.116 -2.236 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.561 -1.823 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.124 -2.060 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.579 -0.423 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.576 -0.910 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.790 0.569 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -15.701 -0.471 -2.247 1.00 0.00 H new ATOM 602 N LEU A 54 -11.947 -3.723 -2.543 1.00 0.00 N ATOM 603 CA LEU A 54 -11.096 -4.692 -1.870 1.00 0.00 C ATOM 604 C LEU A 54 -10.067 -5.231 -2.828 1.00 0.00 C ATOM 605 O LEU A 54 -8.919 -5.481 -2.465 1.00 0.00 O ATOM 606 CB LEU A 54 -11.902 -5.820 -1.238 1.00 0.00 C ATOM 607 CG LEU A 54 -12.802 -5.414 -0.076 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.504 -6.622 0.500 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.001 -4.695 0.992 1.00 0.00 C ATOM 0 H LEU A 54 -12.927 -3.996 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.584 -4.178 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.520 -6.278 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.210 -6.586 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.561 -4.728 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.141 -6.312 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.114 -7.091 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.763 -7.336 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.660 -4.413 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.218 -5.355 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.548 -3.800 0.566 1.00 0.00 H new ATOM 621 N ARG A 55 -10.465 -5.354 -4.064 1.00 0.00 N ATOM 622 CA ARG A 55 -9.585 -5.783 -5.104 1.00 0.00 C ATOM 623 C ARG A 55 -8.571 -4.691 -5.352 1.00 0.00 C ATOM 624 O ARG A 55 -7.396 -4.969 -5.552 1.00 0.00 O ATOM 625 CB ARG A 55 -10.364 -6.080 -6.385 1.00 0.00 C ATOM 626 CG ARG A 55 -9.480 -6.396 -7.574 1.00 0.00 C ATOM 627 CD ARG A 55 -10.271 -6.448 -8.856 1.00 0.00 C ATOM 628 NE ARG A 55 -9.389 -6.580 -10.007 1.00 0.00 N ATOM 629 CZ ARG A 55 -9.558 -5.972 -11.182 1.00 0.00 C ATOM 630 NH1 ARG A 55 -10.655 -5.250 -11.419 1.00 0.00 N ATOM 631 NH2 ARG A 55 -8.644 -6.102 -12.126 1.00 0.00 N ATOM 0 H ARG A 55 -11.416 -5.157 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.082 -6.701 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.033 -6.922 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.990 -5.221 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.699 -5.640 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.982 -7.352 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.964 -7.289 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.871 -5.543 -8.955 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.575 -7.187 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.372 -5.160 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.777 -4.788 -12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.812 -6.666 -11.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.770 -5.638 -13.026 1.00 0.00 H new ATOM 645 N GLU A 56 -9.010 -3.441 -5.246 1.00 0.00 N ATOM 646 CA GLU A 56 -8.120 -2.349 -5.521 1.00 0.00 C ATOM 647 C GLU A 56 -7.066 -2.214 -4.414 1.00 0.00 C ATOM 648 O GLU A 56 -5.889 -1.920 -4.691 1.00 0.00 O ATOM 649 CB GLU A 56 -8.879 -1.049 -5.777 1.00 0.00 C ATOM 650 CG GLU A 56 -7.966 0.083 -6.176 1.00 0.00 C ATOM 651 CD GLU A 56 -8.696 1.324 -6.618 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.404 1.263 -7.646 1.00 0.00 O ATOM 653 OE2 GLU A 56 -8.538 2.393 -5.995 1.00 0.00 O ATOM 0 H GLU A 56 -9.957 -3.175 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.586 -2.570 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.616 -1.211 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.428 -0.769 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.322 0.332 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.317 -0.253 -6.985 1.00 0.00 H new ATOM 660 N LEU A 57 -7.452 -2.501 -3.173 1.00 0.00 N ATOM 661 CA LEU A 57 -6.500 -2.459 -2.091 1.00 0.00 C ATOM 662 C LEU A 57 -5.543 -3.632 -2.219 1.00 0.00 C ATOM 663 O LEU A 57 -4.387 -3.514 -1.916 1.00 0.00 O ATOM 664 CB LEU A 57 -7.171 -2.336 -0.682 1.00 0.00 C ATOM 665 CG LEU A 57 -8.025 -3.491 -0.123 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.172 -4.652 0.393 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.929 -2.978 0.977 1.00 0.00 C ATOM 0 H LEU A 57 -8.402 -2.759 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.917 -1.542 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.376 -2.145 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.803 -1.448 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.628 -3.877 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.822 -5.439 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.564 -5.047 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.521 -4.298 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.530 -3.800 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.323 -2.558 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.587 -2.206 0.577 1.00 0.00 H new ATOM 679 N THR A 58 -6.053 -4.744 -2.735 1.00 0.00 N ATOM 680 CA THR A 58 -5.276 -5.913 -3.034 1.00 0.00 C ATOM 681 C THR A 58 -4.211 -5.602 -4.106 1.00 0.00 C ATOM 682 O THR A 58 -3.075 -6.070 -4.022 1.00 0.00 O ATOM 683 CB THR A 58 -6.196 -7.091 -3.470 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.092 -7.410 -2.387 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.393 -8.336 -3.835 1.00 0.00 C ATOM 0 H THR A 58 -7.043 -4.848 -2.958 1.00 0.00 H new ATOM 0 HA THR A 58 -4.754 -6.220 -2.128 1.00 0.00 H new ATOM 0 HB THR A 58 -6.750 -6.777 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.920 -6.895 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.074 -9.133 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.720 -8.106 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.811 -8.660 -2.972 1.00 0.00 H new ATOM 693 N VAL A 59 -4.580 -4.786 -5.083 1.00 0.00 N ATOM 694 CA VAL A 59 -3.643 -4.344 -6.109 1.00 0.00 C ATOM 695 C VAL A 59 -2.627 -3.368 -5.490 1.00 0.00 C ATOM 696 O VAL A 59 -1.432 -3.431 -5.783 1.00 0.00 O ATOM 697 CB VAL A 59 -4.370 -3.689 -7.325 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.371 -3.219 -8.378 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.347 -4.675 -7.949 1.00 0.00 C ATOM 0 H VAL A 59 -5.524 -4.415 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.120 -5.221 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.917 -2.821 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.907 -2.767 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.698 -2.483 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.793 -4.071 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.847 -4.205 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.805 -5.557 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.089 -4.970 -7.208 1.00 0.00 H new ATOM 709 N SER A 60 -3.106 -2.507 -4.595 1.00 0.00 N ATOM 710 CA SER A 60 -2.242 -1.570 -3.871 1.00 0.00 C ATOM 711 C SER A 60 -1.222 -2.352 -3.039 1.00 0.00 C ATOM 712 O SER A 60 -0.018 -2.052 -3.003 1.00 0.00 O ATOM 713 CB SER A 60 -3.093 -0.662 -2.980 1.00 0.00 C ATOM 714 OG SER A 60 -4.091 0.004 -3.745 1.00 0.00 O ATOM 0 H SER A 60 -4.094 -2.437 -4.351 1.00 0.00 H new ATOM 0 HA SER A 60 -1.703 -0.944 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.564 -1.253 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.456 0.072 -2.487 1.00 0.00 H new ATOM 0 HG SER A 60 -4.767 -0.643 -4.035 1.00 0.00 H new ATOM 720 N GLU A 61 -1.731 -3.377 -2.444 1.00 0.00 N ATOM 721 CA GLU A 61 -1.004 -4.325 -1.649 1.00 0.00 C ATOM 722 C GLU A 61 0.028 -5.071 -2.533 1.00 0.00 C ATOM 723 O GLU A 61 1.134 -5.386 -2.091 1.00 0.00 O ATOM 724 CB GLU A 61 -2.047 -5.287 -1.039 1.00 0.00 C ATOM 725 CG GLU A 61 -1.522 -6.382 -0.171 1.00 0.00 C ATOM 726 CD GLU A 61 -2.619 -7.263 0.382 1.00 0.00 C ATOM 727 OE1 GLU A 61 -3.184 -8.087 -0.384 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.909 -7.191 1.593 1.00 0.00 O ATOM 0 H GLU A 61 -2.726 -3.594 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.440 -3.840 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.752 -4.697 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.610 -5.740 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.825 -6.993 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.959 -5.947 0.655 1.00 0.00 H new ATOM 735 N ALA A 62 -0.329 -5.279 -3.797 1.00 0.00 N ATOM 736 CA ALA A 62 0.509 -6.004 -4.746 1.00 0.00 C ATOM 737 C ALA A 62 1.729 -5.204 -5.172 1.00 0.00 C ATOM 738 O ALA A 62 2.840 -5.741 -5.193 1.00 0.00 O ATOM 739 CB ALA A 62 -0.290 -6.465 -5.958 1.00 0.00 C ATOM 0 H ALA A 62 -1.209 -4.949 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 62 0.873 -6.889 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.366 -7.001 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.094 -7.125 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.714 -5.598 -6.465 1.00 0.00 H new ATOM 745 N PHE A 63 1.556 -3.930 -5.499 1.00 0.00 N ATOM 746 CA PHE A 63 2.719 -3.123 -5.865 1.00 0.00 C ATOM 747 C PHE A 63 3.614 -2.781 -4.691 1.00 0.00 C ATOM 748 O PHE A 63 4.814 -2.625 -4.857 1.00 0.00 O ATOM 749 CB PHE A 63 2.466 -1.945 -6.835 1.00 0.00 C ATOM 750 CG PHE A 63 1.232 -1.161 -6.604 1.00 0.00 C ATOM 751 CD1 PHE A 63 1.106 -0.334 -5.514 1.00 0.00 C ATOM 752 CD2 PHE A 63 0.184 -1.260 -7.497 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.049 0.372 -5.315 1.00 0.00 C ATOM 754 CE2 PHE A 63 -0.968 -0.551 -7.304 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.083 0.260 -6.212 1.00 0.00 C ATOM 0 H PHE A 63 0.659 -3.445 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 63 3.296 -3.805 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.318 -1.267 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.437 -2.338 -7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.921 -0.241 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.276 -1.905 -8.358 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.147 1.016 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.781 -0.632 -8.010 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.994 0.818 -6.052 1.00 0.00 H new ATOM 765 N ILE A 64 3.042 -2.641 -3.509 1.00 0.00 N ATOM 766 CA ILE A 64 3.859 -2.467 -2.309 1.00 0.00 C ATOM 767 C ILE A 64 4.680 -3.731 -2.034 1.00 0.00 C ATOM 768 O ILE A 64 5.860 -3.658 -1.694 1.00 0.00 O ATOM 769 CB ILE A 64 3.017 -2.025 -1.081 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.629 -0.546 -1.237 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.760 -2.261 0.241 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.802 0.428 -1.114 1.00 0.00 C ATOM 0 H ILE A 64 2.035 -2.643 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 64 4.558 -1.651 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 64 2.115 -2.636 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.157 -0.407 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.884 -0.296 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.134 -1.938 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.985 -3.322 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.689 -1.691 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.441 1.449 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.262 0.321 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.539 0.209 -1.886 1.00 0.00 H new ATOM 784 N GLU A 65 4.063 -4.881 -2.219 1.00 0.00 N ATOM 785 CA GLU A 65 4.764 -6.142 -2.129 1.00 0.00 C ATOM 786 C GLU A 65 5.871 -6.198 -3.205 1.00 0.00 C ATOM 787 O GLU A 65 7.013 -6.584 -2.927 1.00 0.00 O ATOM 788 CB GLU A 65 3.769 -7.295 -2.299 1.00 0.00 C ATOM 789 CG GLU A 65 4.384 -8.675 -2.271 1.00 0.00 C ATOM 790 CD GLU A 65 5.028 -9.010 -0.955 1.00 0.00 C ATOM 791 OE1 GLU A 65 6.196 -8.643 -0.732 1.00 0.00 O ATOM 792 OE2 GLU A 65 4.374 -9.645 -0.114 1.00 0.00 O ATOM 0 H GLU A 65 3.070 -4.966 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 65 5.234 -6.236 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.021 -7.230 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.244 -7.166 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.613 -9.414 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.130 -8.749 -3.062 1.00 0.00 H new ATOM 799 N GLY A 66 5.525 -5.763 -4.406 1.00 0.00 N ATOM 800 CA GLY A 66 6.466 -5.730 -5.505 1.00 0.00 C ATOM 801 C GLY A 66 7.645 -4.817 -5.236 1.00 0.00 C ATOM 802 O GLY A 66 8.796 -5.195 -5.464 1.00 0.00 O ATOM 0 H GLY A 66 4.591 -5.426 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.830 -6.739 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.953 -5.398 -6.408 1.00 0.00 H new ATOM 806 N SER A 67 7.372 -3.643 -4.703 1.00 0.00 N ATOM 807 CA SER A 67 8.403 -2.689 -4.428 1.00 0.00 C ATOM 808 C SER A 67 9.253 -3.125 -3.257 1.00 0.00 C ATOM 809 O SER A 67 10.468 -2.952 -3.280 1.00 0.00 O ATOM 810 CB SER A 67 7.830 -1.281 -4.248 1.00 0.00 C ATOM 811 OG SER A 67 6.734 -1.291 -3.358 1.00 0.00 O ATOM 0 H SER A 67 6.433 -3.334 -4.453 1.00 0.00 H new ATOM 0 HA SER A 67 9.062 -2.645 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.605 -0.615 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.515 -0.886 -5.214 1.00 0.00 H new ATOM 0 HG SER A 67 5.935 -1.612 -3.826 1.00 0.00 H new ATOM 817 N ARG A 68 8.645 -3.744 -2.245 1.00 0.00 N ATOM 818 CA ARG A 68 9.447 -4.212 -1.133 1.00 0.00 C ATOM 819 C ARG A 68 10.315 -5.377 -1.553 1.00 0.00 C ATOM 820 O ARG A 68 11.449 -5.517 -1.099 1.00 0.00 O ATOM 821 CB ARG A 68 8.674 -4.480 0.167 1.00 0.00 C ATOM 822 CG ARG A 68 7.729 -5.656 0.129 1.00 0.00 C ATOM 823 CD ARG A 68 7.059 -5.870 1.472 1.00 0.00 C ATOM 824 NE ARG A 68 6.165 -7.027 1.448 1.00 0.00 N ATOM 825 CZ ARG A 68 5.400 -7.456 2.465 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.494 -6.894 3.676 1.00 0.00 N ATOM 827 NH2 ARG A 68 4.574 -8.484 2.281 1.00 0.00 N ATOM 0 H ARG A 68 7.643 -3.924 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 68 10.095 -3.377 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.393 -4.639 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.104 -3.586 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.970 -5.490 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.276 -6.555 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.819 -6.012 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.494 -4.978 1.744 1.00 0.00 H new ATOM 0 HE ARG A 68 6.118 -7.557 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.152 -6.131 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.907 -7.229 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.524 -8.942 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.991 -8.814 3.050 1.00 0.00 H new ATOM 841 N GLY A 69 9.792 -6.176 -2.462 1.00 0.00 N ATOM 842 CA GLY A 69 10.556 -7.241 -3.031 1.00 0.00 C ATOM 843 C GLY A 69 11.676 -6.688 -3.883 1.00 0.00 C ATOM 844 O GLY A 69 12.723 -7.309 -4.026 1.00 0.00 O ATOM 0 H GLY A 69 8.838 -6.098 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.968 -7.866 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.910 -7.878 -3.636 1.00 0.00 H new ATOM 848 N TYR A 70 11.461 -5.490 -4.418 1.00 0.00 N ATOM 849 CA TYR A 70 12.450 -4.836 -5.241 1.00 0.00 C ATOM 850 C TYR A 70 13.597 -4.392 -4.359 1.00 0.00 C ATOM 851 O TYR A 70 14.758 -4.516 -4.727 1.00 0.00 O ATOM 852 CB TYR A 70 11.845 -3.649 -6.019 1.00 0.00 C ATOM 853 CG TYR A 70 12.789 -3.031 -7.028 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.076 -3.691 -8.209 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.404 -1.804 -6.798 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.942 -3.157 -9.135 1.00 0.00 C ATOM 857 CE2 TYR A 70 14.281 -1.266 -7.729 1.00 0.00 C ATOM 858 CZ TYR A 70 14.542 -1.949 -8.894 1.00 0.00 C ATOM 859 OH TYR A 70 15.427 -1.427 -9.824 1.00 0.00 O ATOM 0 H TYR A 70 10.601 -4.956 -4.290 1.00 0.00 H new ATOM 0 HA TYR A 70 12.818 -5.539 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.947 -3.986 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.535 -2.882 -5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.611 -4.645 -8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.197 -1.265 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.149 -3.690 -10.051 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.757 -0.315 -7.540 1.00 0.00 H new ATOM 0 HH TYR A 70 15.765 -0.564 -9.505 1.00 0.00 H new ATOM 869 N PHE A 71 13.253 -3.922 -3.169 1.00 0.00 N ATOM 870 CA PHE A 71 14.247 -3.488 -2.205 1.00 0.00 C ATOM 871 C PHE A 71 15.084 -4.659 -1.767 1.00 0.00 C ATOM 872 O PHE A 71 16.287 -4.541 -1.639 1.00 0.00 O ATOM 873 CB PHE A 71 13.613 -2.809 -0.994 1.00 0.00 C ATOM 874 CG PHE A 71 12.740 -1.647 -1.346 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.120 -0.735 -2.320 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.529 -1.477 -0.717 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.301 0.314 -2.655 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.709 -0.430 -1.043 1.00 0.00 C ATOM 879 CZ PHE A 71 11.091 0.467 -2.018 1.00 0.00 C ATOM 0 H PHE A 71 12.289 -3.832 -2.849 1.00 0.00 H new ATOM 0 HA PHE A 71 14.882 -2.750 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 71 13.023 -3.542 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.403 -2.469 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.070 -0.852 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.221 -2.178 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.605 1.017 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.763 -0.307 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.441 1.289 -2.281 1.00 0.00 H new ATOM 889 N GLN A 72 14.433 -5.800 -1.562 1.00 0.00 N ATOM 890 CA GLN A 72 15.124 -7.041 -1.225 1.00 0.00 C ATOM 891 C GLN A 72 16.158 -7.367 -2.299 1.00 0.00 C ATOM 892 O GLN A 72 17.283 -7.747 -1.999 1.00 0.00 O ATOM 893 CB GLN A 72 14.131 -8.198 -1.085 1.00 0.00 C ATOM 894 CG GLN A 72 13.147 -8.048 0.060 1.00 0.00 C ATOM 895 CD GLN A 72 13.839 -7.985 1.397 1.00 0.00 C ATOM 896 OE1 GLN A 72 14.187 -6.915 1.881 1.00 0.00 O ATOM 897 NE2 GLN A 72 14.044 -9.123 2.008 1.00 0.00 N ATOM 0 H GLN A 72 13.419 -5.891 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 72 15.628 -6.906 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.573 -8.296 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.689 -9.124 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.557 -7.143 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.451 -8.887 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.741 -9.996 1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.507 -9.138 2.917 1.00 0.00 H new ATOM 906 N ARG A 73 15.771 -7.173 -3.553 1.00 0.00 N ATOM 907 CA ARG A 73 16.668 -7.361 -4.694 1.00 0.00 C ATOM 908 C ARG A 73 17.839 -6.390 -4.625 1.00 0.00 C ATOM 909 O ARG A 73 18.996 -6.773 -4.820 1.00 0.00 O ATOM 910 CB ARG A 73 15.914 -7.203 -6.029 1.00 0.00 C ATOM 911 CG ARG A 73 15.296 -8.476 -6.653 1.00 0.00 C ATOM 912 CD ARG A 73 14.421 -9.287 -5.702 1.00 0.00 C ATOM 913 NE ARG A 73 15.216 -10.061 -4.737 1.00 0.00 N ATOM 914 CZ ARG A 73 14.748 -10.634 -3.627 1.00 0.00 C ATOM 915 NH1 ARG A 73 13.445 -10.604 -3.351 1.00 0.00 N ATOM 916 NH2 ARG A 73 15.589 -11.248 -2.801 1.00 0.00 N ATOM 0 H ARG A 73 14.828 -6.881 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 73 17.058 -8.378 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.113 -6.478 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.603 -6.772 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 14.699 -8.188 -7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.101 -9.114 -7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.753 -8.615 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.793 -9.965 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 73 16.211 -10.169 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.799 -10.141 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.094 -11.044 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.585 -11.279 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.238 -11.688 -1.950 1.00 0.00 H new ATOM 930 N GLU A 74 17.547 -5.151 -4.298 1.00 0.00 N ATOM 931 CA GLU A 74 18.574 -4.125 -4.192 1.00 0.00 C ATOM 932 C GLU A 74 19.503 -4.370 -3.019 1.00 0.00 C ATOM 933 O GLU A 74 20.698 -4.050 -3.085 1.00 0.00 O ATOM 934 CB GLU A 74 17.990 -2.723 -4.141 1.00 0.00 C ATOM 935 CG GLU A 74 17.180 -2.358 -5.362 1.00 0.00 C ATOM 936 CD GLU A 74 16.788 -0.913 -5.374 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.567 -0.081 -5.903 1.00 0.00 O ATOM 938 OE2 GLU A 74 15.720 -0.572 -4.874 1.00 0.00 O ATOM 0 H GLU A 74 16.602 -4.823 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 74 19.167 -4.195 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.358 -2.634 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.802 -2.005 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.758 -2.583 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.283 -2.976 -5.398 1.00 0.00 H new ATOM 945 N LEU A 75 18.976 -4.963 -1.974 1.00 0.00 N ATOM 946 CA LEU A 75 19.765 -5.314 -0.810 1.00 0.00 C ATOM 947 C LEU A 75 20.690 -6.489 -1.137 1.00 0.00 C ATOM 948 O LEU A 75 21.694 -6.711 -0.466 1.00 0.00 O ATOM 949 CB LEU A 75 18.856 -5.646 0.395 1.00 0.00 C ATOM 950 CG LEU A 75 17.988 -4.487 0.933 1.00 0.00 C ATOM 951 CD1 LEU A 75 17.052 -4.954 2.028 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.855 -3.358 1.452 1.00 0.00 C ATOM 0 H LEU A 75 17.991 -5.217 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 75 20.378 -4.455 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.196 -6.465 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.484 -6.010 1.208 1.00 0.00 H new ATOM 0 HG LEU A 75 17.388 -4.123 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.457 -4.112 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.390 -5.726 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.634 -5.361 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.221 -2.554 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.487 -3.726 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.482 -2.980 0.645 1.00 0.00 H new ATOM 964 N LYS A 76 20.384 -7.202 -2.213 1.00 0.00 N ATOM 965 CA LYS A 76 21.185 -8.353 -2.608 1.00 0.00 C ATOM 966 C LYS A 76 22.286 -7.942 -3.557 1.00 0.00 C ATOM 967 O LYS A 76 23.233 -8.693 -3.787 1.00 0.00 O ATOM 968 CB LYS A 76 20.333 -9.465 -3.225 1.00 0.00 C ATOM 969 CG LYS A 76 19.315 -10.092 -2.270 1.00 0.00 C ATOM 970 CD LYS A 76 19.958 -10.846 -1.095 1.00 0.00 C ATOM 971 CE LYS A 76 20.450 -12.266 -1.454 1.00 0.00 C ATOM 972 NZ LYS A 76 21.545 -12.319 -2.457 1.00 0.00 N ATOM 0 H LYS A 76 19.592 -7.005 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 76 21.636 -8.754 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.802 -9.062 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.994 -10.248 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.667 -9.308 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.681 -10.780 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.801 -10.264 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.234 -10.918 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.789 -12.757 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.605 -12.842 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.128 -13.164 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.138 -12.362 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.137 -11.468 -2.370 1.00 0.00 H new ATOM 986 N ARG A 77 22.186 -6.721 -4.074 1.00 0.00 N ATOM 987 CA ARG A 77 23.197 -6.175 -4.980 1.00 0.00 C ATOM 988 C ARG A 77 24.515 -5.970 -4.227 1.00 0.00 C ATOM 989 O ARG A 77 25.579 -5.883 -4.821 1.00 0.00 O ATOM 990 CB ARG A 77 22.709 -4.868 -5.630 1.00 0.00 C ATOM 991 CG ARG A 77 21.452 -5.041 -6.486 1.00 0.00 C ATOM 992 CD ARG A 77 20.973 -3.718 -7.081 1.00 0.00 C ATOM 993 NE ARG A 77 19.729 -3.880 -7.863 1.00 0.00 N ATOM 994 CZ ARG A 77 18.976 -2.872 -8.348 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.348 -1.606 -8.167 1.00 0.00 N ATOM 996 NH2 ARG A 77 17.849 -3.145 -9.009 1.00 0.00 N ATOM 0 H ARG A 77 21.411 -6.086 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 77 23.370 -6.889 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.508 -4.136 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.507 -4.460 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 77 21.657 -5.747 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.657 -5.473 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.806 -2.999 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.753 -3.305 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 77 19.415 -4.832 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.207 -1.394 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.774 -0.848 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.560 -4.114 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.277 -2.385 -9.377 1.00 0.00 H new ATOM 1010 N THR A 78 24.406 -5.892 -2.899 1.00 0.00 N ATOM 1011 CA THR A 78 25.533 -5.838 -1.948 1.00 0.00 C ATOM 1012 C THR A 78 26.282 -4.474 -1.923 1.00 0.00 C ATOM 1013 O THR A 78 26.755 -4.054 -0.868 1.00 0.00 O ATOM 1014 CB THR A 78 26.512 -7.017 -2.177 1.00 0.00 C ATOM 1015 OG1 THR A 78 25.751 -8.243 -2.289 1.00 0.00 O ATOM 1016 CG2 THR A 78 27.483 -7.151 -1.009 1.00 0.00 C ATOM 0 H THR A 78 23.499 -5.863 -2.433 1.00 0.00 H new ATOM 0 HA THR A 78 25.088 -5.939 -0.958 1.00 0.00 H new ATOM 0 HB THR A 78 27.079 -6.827 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 78 26.362 -8.995 -2.436 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.160 -7.985 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.059 -6.231 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 78 26.925 -7.332 -0.091 1.00 0.00 H new ATOM 1024 N ASP A 79 26.350 -3.795 -3.068 1.00 0.00 N ATOM 1025 CA ASP A 79 27.022 -2.490 -3.188 1.00 0.00 C ATOM 1026 C ASP A 79 26.426 -1.461 -2.235 1.00 0.00 C ATOM 1027 O ASP A 79 27.020 -1.159 -1.197 1.00 0.00 O ATOM 1028 CB ASP A 79 26.997 -1.975 -4.641 1.00 0.00 C ATOM 1029 CG ASP A 79 27.788 -2.849 -5.599 1.00 0.00 C ATOM 1030 OD1 ASP A 79 27.225 -3.805 -6.164 1.00 0.00 O ATOM 1031 OD2 ASP A 79 28.988 -2.591 -5.816 1.00 0.00 O ATOM 0 H ASP A 79 25.943 -4.129 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 79 28.064 -2.639 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 79 25.963 -1.917 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 79 27.399 -0.962 -4.668 1.00 0.00 H new ATOM 1036 N LEU A 80 25.248 -0.944 -2.591 1.00 0.00 N ATOM 1037 CA LEU A 80 24.482 -0.013 -1.779 1.00 0.00 C ATOM 1038 C LEU A 80 25.204 1.273 -1.425 1.00 0.00 C ATOM 1039 O LEU A 80 26.367 1.528 -1.782 1.00 0.00 O ATOM 1040 CB LEU A 80 23.927 -0.661 -0.480 1.00 0.00 C ATOM 1041 CG LEU A 80 22.797 -1.699 -0.611 1.00 0.00 C ATOM 1042 CD1 LEU A 80 23.270 -3.006 -1.210 1.00 0.00 C ATOM 1043 CD2 LEU A 80 22.140 -1.932 0.730 1.00 0.00 C ATOM 0 H LEU A 80 24.794 -1.171 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 80 23.653 0.256 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.760 -1.139 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.569 0.141 0.166 1.00 0.00 H new ATOM 0 HG LEU A 80 22.063 -1.286 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.432 -3.699 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.673 -2.825 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.046 -3.436 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.343 -2.668 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.881 -2.301 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.721 -0.995 1.098 1.00 0.00 H new ATOM 1055 N ASP A 81 24.429 2.111 -0.859 1.00 0.00 N ATOM 1056 CA ASP A 81 24.847 3.311 -0.196 1.00 0.00 C ATOM 1057 C ASP A 81 24.119 3.291 1.126 1.00 0.00 C ATOM 1058 O ASP A 81 23.029 2.694 1.198 1.00 0.00 O ATOM 1059 CB ASP A 81 24.462 4.564 -0.992 1.00 0.00 C ATOM 1060 CG ASP A 81 24.928 5.853 -0.332 1.00 0.00 C ATOM 1061 OD1 ASP A 81 24.272 6.336 0.593 1.00 0.00 O ATOM 1062 OD2 ASP A 81 25.950 6.408 -0.747 1.00 0.00 O ATOM 0 H ASP A 81 23.417 1.982 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 81 25.931 3.346 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 81 24.891 4.499 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 81 23.379 4.594 -1.111 1.00 0.00 H new ATOM 1067 N LEU A 82 24.666 3.902 2.149 1.00 0.00 N ATOM 1068 CA LEU A 82 24.009 3.932 3.446 1.00 0.00 C ATOM 1069 C LEU A 82 22.652 4.646 3.353 1.00 0.00 C ATOM 1070 O LEU A 82 21.663 4.195 3.929 1.00 0.00 O ATOM 1071 CB LEU A 82 24.902 4.585 4.513 1.00 0.00 C ATOM 1072 CG LEU A 82 26.236 3.882 4.808 1.00 0.00 C ATOM 1073 CD1 LEU A 82 26.999 4.621 5.895 1.00 0.00 C ATOM 1074 CD2 LEU A 82 26.012 2.428 5.213 1.00 0.00 C ATOM 0 H LEU A 82 25.563 4.386 2.115 1.00 0.00 H new ATOM 0 HA LEU A 82 23.832 2.901 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.116 5.607 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.335 4.647 5.442 1.00 0.00 H new ATOM 0 HG LEU A 82 26.830 3.893 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.941 4.109 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 82 27.202 5.641 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 82 26.402 4.644 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.973 1.955 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.393 2.391 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 82 25.510 1.898 4.403 1.00 0.00 H new ATOM 1086 N LEU A 83 22.610 5.717 2.593 1.00 0.00 N ATOM 1087 CA LEU A 83 21.402 6.496 2.395 1.00 0.00 C ATOM 1088 C LEU A 83 20.391 5.709 1.596 1.00 0.00 C ATOM 1089 O LEU A 83 19.193 5.781 1.844 1.00 0.00 O ATOM 1090 CB LEU A 83 21.704 7.789 1.672 1.00 0.00 C ATOM 1091 CG LEU A 83 20.515 8.711 1.450 1.00 0.00 C ATOM 1092 CD1 LEU A 83 19.932 9.183 2.770 1.00 0.00 C ATOM 1093 CD2 LEU A 83 20.912 9.878 0.595 1.00 0.00 C ATOM 0 H LEU A 83 23.420 6.078 2.089 1.00 0.00 H new ATOM 0 HA LEU A 83 20.992 6.725 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.461 8.332 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.141 7.549 0.703 1.00 0.00 H new ATOM 0 HG LEU A 83 19.741 8.147 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.084 9.840 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.600 8.322 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.693 9.726 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.051 10.529 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.707 10.437 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 83 21.267 9.518 -0.371 1.00 0.00 H new ATOM 1105 N GLU A 84 20.875 4.972 0.625 1.00 0.00 N ATOM 1106 CA GLU A 84 20.006 4.166 -0.190 1.00 0.00 C ATOM 1107 C GLU A 84 19.404 3.055 0.624 1.00 0.00 C ATOM 1108 O GLU A 84 18.221 2.806 0.530 1.00 0.00 O ATOM 1109 CB GLU A 84 20.707 3.647 -1.433 1.00 0.00 C ATOM 1110 CG GLU A 84 21.046 4.747 -2.420 1.00 0.00 C ATOM 1111 CD GLU A 84 19.819 5.519 -2.858 1.00 0.00 C ATOM 1112 OE1 GLU A 84 19.067 5.028 -3.719 1.00 0.00 O ATOM 1113 OE2 GLU A 84 19.592 6.634 -2.346 1.00 0.00 O ATOM 0 H GLU A 84 21.864 4.915 0.382 1.00 0.00 H new ATOM 0 HA GLU A 84 19.194 4.801 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.623 3.133 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.070 2.910 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.762 5.432 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.531 4.312 -3.294 1.00 0.00 H new ATOM 1120 N LYS A 85 20.212 2.435 1.481 1.00 0.00 N ATOM 1121 CA LYS A 85 19.724 1.403 2.383 1.00 0.00 C ATOM 1122 C LYS A 85 18.674 2.017 3.283 1.00 0.00 C ATOM 1123 O LYS A 85 17.634 1.423 3.538 1.00 0.00 O ATOM 1124 CB LYS A 85 20.861 0.821 3.234 1.00 0.00 C ATOM 1125 CG LYS A 85 20.425 -0.339 4.144 1.00 0.00 C ATOM 1126 CD LYS A 85 21.578 -0.873 4.993 1.00 0.00 C ATOM 1127 CE LYS A 85 22.067 0.154 6.016 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.058 0.453 7.059 1.00 0.00 N ATOM 0 H LYS A 85 21.209 2.632 1.567 1.00 0.00 H new ATOM 0 HA LYS A 85 19.300 0.588 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.655 0.473 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.284 1.615 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.620 -0.003 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.022 -1.146 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.257 -1.776 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.405 -1.157 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.975 -0.218 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.333 1.076 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.958 1.483 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.143 0.042 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.364 0.044 7.965 1.00 0.00 H new ATOM 1142 N PHE A 86 18.942 3.245 3.692 1.00 0.00 N ATOM 1143 CA PHE A 86 18.050 4.003 4.526 1.00 0.00 C ATOM 1144 C PHE A 86 16.703 4.230 3.835 1.00 0.00 C ATOM 1145 O PHE A 86 15.686 4.213 4.470 1.00 0.00 O ATOM 1146 CB PHE A 86 18.703 5.332 4.969 1.00 0.00 C ATOM 1147 CG PHE A 86 17.823 6.242 5.791 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.675 6.047 7.153 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.145 7.296 5.191 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.868 6.882 7.903 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.339 8.132 5.934 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.199 7.925 7.292 1.00 0.00 C ATOM 0 H PHE A 86 19.798 3.742 3.447 1.00 0.00 H new ATOM 0 HA PHE A 86 17.853 3.422 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.599 5.103 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.026 5.873 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.196 5.233 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.251 7.462 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.761 6.719 8.965 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.818 8.948 5.455 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.567 8.578 7.876 1.00 0.00 H new ATOM 1162 N ASN A 87 16.743 4.382 2.535 1.00 0.00 N ATOM 1163 CA ASN A 87 15.586 4.628 1.685 1.00 0.00 C ATOM 1164 C ASN A 87 14.792 3.345 1.548 1.00 0.00 C ATOM 1165 O ASN A 87 13.573 3.358 1.616 1.00 0.00 O ATOM 1166 CB ASN A 87 16.065 5.148 0.299 1.00 0.00 C ATOM 1167 CG ASN A 87 14.963 5.564 -0.702 1.00 0.00 C ATOM 1168 OD1 ASN A 87 13.853 5.028 -0.739 1.00 0.00 O ATOM 1169 ND2 ASN A 87 15.275 6.539 -1.516 1.00 0.00 N ATOM 0 H ASN A 87 17.616 4.337 2.010 1.00 0.00 H new ATOM 0 HA ASN A 87 14.942 5.387 2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.717 6.006 0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.672 4.371 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.594 6.871 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.199 6.968 -1.468 1.00 0.00 H new ATOM 1176 N PHE A 88 15.494 2.219 1.424 1.00 0.00 N ATOM 1177 CA PHE A 88 14.838 0.930 1.272 1.00 0.00 C ATOM 1178 C PHE A 88 14.172 0.596 2.555 1.00 0.00 C ATOM 1179 O PHE A 88 13.013 0.233 2.575 1.00 0.00 O ATOM 1180 CB PHE A 88 15.809 -0.198 0.910 1.00 0.00 C ATOM 1181 CG PHE A 88 16.747 0.122 -0.200 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.339 0.859 -1.299 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.058 -0.283 -0.120 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.233 1.190 -2.279 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.950 0.033 -1.101 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.540 0.775 -2.174 1.00 0.00 C ATOM 0 H PHE A 88 16.513 2.178 1.426 1.00 0.00 H new ATOM 0 HA PHE A 88 14.126 1.014 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.390 -0.457 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.232 -1.082 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.309 1.174 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.386 -0.860 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.915 1.774 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.975 -0.301 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.249 1.037 -2.946 1.00 0.00 H new ATOM 1196 N GLU A 89 14.896 0.798 3.644 1.00 0.00 N ATOM 1197 CA GLU A 89 14.374 0.551 4.950 1.00 0.00 C ATOM 1198 C GLU A 89 13.284 1.536 5.244 1.00 0.00 C ATOM 1199 O GLU A 89 12.314 1.215 5.947 1.00 0.00 O ATOM 1200 CB GLU A 89 15.449 0.629 6.009 1.00 0.00 C ATOM 1201 CG GLU A 89 16.528 -0.419 5.880 1.00 0.00 C ATOM 1202 CD GLU A 89 17.475 -0.355 7.029 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.426 0.445 6.994 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.256 -1.072 8.021 1.00 0.00 O ATOM 0 H GLU A 89 15.858 1.137 3.633 1.00 0.00 H new ATOM 0 HA GLU A 89 13.973 -0.462 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.911 1.616 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.983 0.535 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.074 -1.409 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.072 -0.273 4.947 1.00 0.00 H new ATOM 1211 N ALA A 90 13.418 2.739 4.692 1.00 0.00 N ATOM 1212 CA ALA A 90 12.402 3.752 4.935 1.00 0.00 C ATOM 1213 C ALA A 90 11.122 3.352 4.245 1.00 0.00 C ATOM 1214 O ALA A 90 10.033 3.413 4.820 1.00 0.00 O ATOM 1215 CB ALA A 90 12.844 5.132 4.477 1.00 0.00 C ATOM 0 H ALA A 90 14.192 3.028 4.094 1.00 0.00 H new ATOM 0 HA ALA A 90 12.239 3.814 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.052 5.853 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.746 5.422 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.051 5.111 3.407 1.00 0.00 H new ATOM 1221 N ALA A 91 11.264 2.901 3.028 1.00 0.00 N ATOM 1222 CA ALA A 91 10.158 2.481 2.225 1.00 0.00 C ATOM 1223 C ALA A 91 9.550 1.193 2.748 1.00 0.00 C ATOM 1224 O ALA A 91 8.343 1.037 2.727 1.00 0.00 O ATOM 1225 CB ALA A 91 10.575 2.380 0.784 1.00 0.00 C ATOM 0 H ALA A 91 12.168 2.815 2.563 1.00 0.00 H new ATOM 0 HA ALA A 91 9.372 3.233 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.725 2.059 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.920 3.354 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.382 1.654 0.689 1.00 0.00 H new ATOM 1231 N LEU A 92 10.378 0.296 3.264 1.00 0.00 N ATOM 1232 CA LEU A 92 9.883 -0.933 3.887 1.00 0.00 C ATOM 1233 C LEU A 92 8.951 -0.585 5.027 1.00 0.00 C ATOM 1234 O LEU A 92 7.888 -1.160 5.155 1.00 0.00 O ATOM 1235 CB LEU A 92 11.031 -1.827 4.403 1.00 0.00 C ATOM 1236 CG LEU A 92 11.954 -2.461 3.350 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.098 -3.202 4.021 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.178 -3.413 2.461 1.00 0.00 C ATOM 0 H LEU A 92 11.394 0.391 3.266 1.00 0.00 H new ATOM 0 HA LEU A 92 9.347 -1.498 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.646 -1.231 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.594 -2.630 4.996 1.00 0.00 H new ATOM 0 HG LEU A 92 12.363 -1.660 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.741 -3.644 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.678 -2.505 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.697 -3.989 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.850 -3.851 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.742 -4.205 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.384 -2.868 1.951 1.00 0.00 H new ATOM 1250 N ALA A 93 9.331 0.413 5.802 1.00 0.00 N ATOM 1251 CA ALA A 93 8.536 0.850 6.926 1.00 0.00 C ATOM 1252 C ALA A 93 7.308 1.610 6.470 1.00 0.00 C ATOM 1253 O ALA A 93 6.269 1.562 7.117 1.00 0.00 O ATOM 1254 CB ALA A 93 9.364 1.675 7.897 1.00 0.00 C ATOM 0 H ALA A 93 10.195 0.939 5.669 1.00 0.00 H new ATOM 0 HA ALA A 93 8.195 -0.040 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.739 1.990 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.193 1.074 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.755 2.554 7.385 1.00 0.00 H new ATOM 1260 N THR A 94 7.405 2.262 5.331 1.00 0.00 N ATOM 1261 CA THR A 94 6.301 3.022 4.847 1.00 0.00 C ATOM 1262 C THR A 94 5.258 2.049 4.293 1.00 0.00 C ATOM 1263 O THR A 94 4.055 2.186 4.549 1.00 0.00 O ATOM 1264 CB THR A 94 6.750 4.053 3.777 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.825 4.864 4.311 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.596 4.967 3.383 1.00 0.00 C ATOM 0 H THR A 94 8.234 2.274 4.737 1.00 0.00 H new ATOM 0 HA THR A 94 5.864 3.600 5.661 1.00 0.00 H new ATOM 0 HB THR A 94 7.086 3.507 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.622 4.308 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.937 5.680 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.782 4.369 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.243 5.506 4.262 1.00 0.00 H new ATOM 1274 N GLY A 95 5.758 1.012 3.614 1.00 0.00 N ATOM 1275 CA GLY A 95 4.938 -0.006 3.072 1.00 0.00 C ATOM 1276 C GLY A 95 4.318 -0.798 4.165 1.00 0.00 C ATOM 1277 O GLY A 95 3.164 -1.106 4.103 1.00 0.00 O ATOM 0 H GLY A 95 6.754 0.880 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.162 0.436 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.531 -0.658 2.431 1.00 0.00 H new ATOM 1281 N ASP A 96 5.099 -1.085 5.193 1.00 0.00 N ATOM 1282 CA ASP A 96 4.626 -1.823 6.364 1.00 0.00 C ATOM 1283 C ASP A 96 3.452 -1.109 7.005 1.00 0.00 C ATOM 1284 O ASP A 96 2.403 -1.698 7.210 1.00 0.00 O ATOM 1285 CB ASP A 96 5.760 -1.990 7.383 1.00 0.00 C ATOM 1286 CG ASP A 96 5.354 -2.742 8.635 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.313 -3.995 8.601 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.141 -2.108 9.680 1.00 0.00 O ATOM 0 H ASP A 96 6.081 -0.815 5.244 1.00 0.00 H new ATOM 0 HA ASP A 96 4.298 -2.810 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.588 -2.516 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.129 -1.004 7.666 1.00 0.00 H new ATOM 1293 N LEU A 97 3.605 0.177 7.235 1.00 0.00 N ATOM 1294 CA LEU A 97 2.558 0.968 7.862 1.00 0.00 C ATOM 1295 C LEU A 97 1.294 1.016 7.025 1.00 0.00 C ATOM 1296 O LEU A 97 0.206 0.811 7.542 1.00 0.00 O ATOM 1297 CB LEU A 97 3.041 2.371 8.222 1.00 0.00 C ATOM 1298 CG LEU A 97 4.166 2.435 9.256 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.520 3.876 9.581 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.783 1.664 10.514 1.00 0.00 C ATOM 0 H LEU A 97 4.446 0.703 6.998 1.00 0.00 H new ATOM 0 HA LEU A 97 2.305 0.461 8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.380 2.865 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.193 2.943 8.598 1.00 0.00 H new ATOM 0 HG LEU A 97 5.052 1.964 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.322 3.896 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.848 4.384 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.644 4.384 9.984 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.596 1.721 11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.881 2.098 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.597 0.621 10.259 1.00 0.00 H new ATOM 1312 N LEU A 98 1.432 1.263 5.740 1.00 0.00 N ATOM 1313 CA LEU A 98 0.275 1.277 4.860 1.00 0.00 C ATOM 1314 C LEU A 98 -0.284 -0.132 4.655 1.00 0.00 C ATOM 1315 O LEU A 98 -1.433 -0.286 4.352 1.00 0.00 O ATOM 1316 CB LEU A 98 0.550 2.002 3.538 1.00 0.00 C ATOM 1317 CG LEU A 98 1.609 1.384 2.662 1.00 0.00 C ATOM 1318 CD1 LEU A 98 1.060 0.243 1.816 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.335 2.423 1.827 1.00 0.00 C ATOM 0 H LEU A 98 2.323 1.455 5.281 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.501 1.859 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.380 2.052 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.843 3.028 3.761 1.00 0.00 H new ATOM 0 HG LEU A 98 2.352 0.945 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.859 -0.171 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.663 -0.535 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.264 0.618 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.089 1.933 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.620 2.938 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.818 3.146 2.485 1.00 0.00 H new ATOM 1331 N LEU A 99 0.558 -1.151 4.779 1.00 0.00 N ATOM 1332 CA LEU A 99 0.113 -2.528 4.677 1.00 0.00 C ATOM 1333 C LEU A 99 -0.760 -2.848 5.843 1.00 0.00 C ATOM 1334 O LEU A 99 -1.785 -3.507 5.708 1.00 0.00 O ATOM 1335 CB LEU A 99 1.287 -3.515 4.553 1.00 0.00 C ATOM 1336 CG LEU A 99 1.838 -3.765 3.141 1.00 0.00 C ATOM 1337 CD1 LEU A 99 3.078 -4.625 3.216 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.793 -4.452 2.272 1.00 0.00 C ATOM 0 H LEU A 99 1.558 -1.044 4.951 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.463 -2.639 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.104 -3.151 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.971 -4.472 4.968 1.00 0.00 H new ATOM 0 HG LEU A 99 2.089 -2.803 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.462 -4.798 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.837 -4.118 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.831 -5.580 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.202 -4.621 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.520 -5.408 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.092 -3.820 2.199 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.384 -2.323 6.982 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.194 -2.422 8.148 1.00 0.00 C ATOM 1352 C LYS A 100 -2.432 -1.580 7.959 1.00 0.00 C ATOM 1353 O LYS A 100 -3.504 -1.936 8.443 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.458 -1.999 9.428 1.00 0.00 C ATOM 1355 CG LYS A 100 0.387 -3.073 10.123 1.00 0.00 C ATOM 1356 CD LYS A 100 1.465 -3.669 9.246 1.00 0.00 C ATOM 1357 CE LYS A 100 2.428 -4.531 10.044 1.00 0.00 C ATOM 1358 NZ LYS A 100 1.752 -5.618 10.780 1.00 0.00 N ATOM 0 H LYS A 100 0.492 -1.818 7.117 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.459 -3.471 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.192 -1.159 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.197 -1.634 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.852 -2.639 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.270 -3.872 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.005 -4.269 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.017 -2.868 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.167 -4.961 9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.970 -3.903 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.465 -6.252 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.167 -5.212 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.148 -6.156 10.127 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.285 -0.470 7.225 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.407 0.435 6.998 1.00 0.00 C ATOM 1374 C ASP A 101 -4.451 -0.277 6.122 1.00 0.00 C ATOM 1375 O ASP A 101 -5.635 -0.337 6.468 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.918 1.729 6.302 1.00 0.00 C ATOM 1377 CG ASP A 101 -3.904 2.885 6.330 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -5.085 2.711 6.000 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -3.506 4.001 6.751 1.00 0.00 O ATOM 0 H ASP A 101 -1.410 -0.184 6.785 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.856 0.709 7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.991 2.051 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.681 1.498 5.263 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.957 -0.919 5.064 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.762 -1.664 4.095 1.00 0.00 C ATOM 1386 C LEU A 102 -5.516 -2.791 4.751 1.00 0.00 C ATOM 1387 O LEU A 102 -6.726 -2.888 4.626 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.856 -2.258 2.995 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.241 -1.278 1.991 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.142 -1.964 1.202 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.296 -0.790 1.025 1.00 0.00 C ATOM 0 H LEU A 102 -2.960 -0.936 4.851 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.476 -0.963 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.044 -2.798 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.438 -2.992 2.438 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.829 -0.434 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.711 -1.260 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.366 -2.311 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.558 -2.815 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.847 -0.094 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.715 -1.639 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.089 -0.285 1.577 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.806 -3.596 5.501 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.388 -4.773 6.109 1.00 0.00 C ATOM 1405 C LYS A 103 -6.370 -4.412 7.222 1.00 0.00 C ATOM 1406 O LYS A 103 -7.413 -5.058 7.375 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.288 -5.706 6.593 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.386 -6.187 5.462 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.248 -7.027 5.981 1.00 0.00 C ATOM 1410 CE LYS A 103 -1.333 -7.511 4.862 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.044 -8.333 3.857 1.00 0.00 N ATOM 0 H LYS A 103 -3.817 -3.459 5.708 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.970 -5.300 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.684 -5.192 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.738 -6.568 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.972 -6.767 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.988 -5.328 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.667 -6.446 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.649 -7.887 6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.883 -6.650 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.518 -8.094 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.399 -9.058 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.862 -8.795 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.371 -7.725 3.079 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.075 -3.351 7.954 1.00 0.00 N ATOM 1426 CA ALA A 104 -6.944 -2.915 9.024 1.00 0.00 C ATOM 1427 C ALA A 104 -8.209 -2.315 8.459 1.00 0.00 C ATOM 1428 O ALA A 104 -9.304 -2.533 8.982 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.243 -1.920 9.917 1.00 0.00 C ATOM 0 H ALA A 104 -5.241 -2.779 7.824 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.206 -3.785 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.918 -1.608 10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.357 -2.383 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.947 -1.050 9.331 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.071 -1.585 7.367 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.202 -0.967 6.748 1.00 0.00 C ATOM 1437 C LEU A 105 -10.043 -2.048 6.102 1.00 0.00 C ATOM 1438 O LEU A 105 -11.222 -1.950 6.065 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.807 0.167 5.761 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.568 -0.204 4.295 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.864 -0.130 3.501 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.493 0.665 3.669 1.00 0.00 C ATOM 0 H LEU A 105 -7.181 -1.413 6.899 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.796 -0.462 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.592 0.923 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.899 0.636 6.139 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.211 -1.234 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.670 -0.398 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.590 -0.823 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.261 0.884 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.350 0.374 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.798 1.710 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.558 0.536 4.214 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.381 -3.085 5.599 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.026 -4.225 4.952 1.00 0.00 C ATOM 1456 C GLN A 106 -10.875 -4.937 5.968 1.00 0.00 C ATOM 1457 O GLN A 106 -11.982 -5.352 5.673 1.00 0.00 O ATOM 1458 CB GLN A 106 -8.916 -5.119 4.327 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.329 -6.259 3.393 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.940 -7.463 4.072 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -9.638 -7.773 5.226 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -10.765 -8.175 3.352 1.00 0.00 N ATOM 0 H GLN A 106 -8.364 -3.159 5.629 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.691 -3.923 4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.239 -4.467 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.342 -5.554 5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.043 -5.871 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.452 -6.584 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.991 -7.886 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.183 -9.020 3.742 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.378 -5.021 7.166 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.119 -5.588 8.255 1.00 0.00 C ATOM 1473 C LYS A 107 -12.296 -4.682 8.625 1.00 0.00 C ATOM 1474 O LYS A 107 -13.338 -5.166 9.039 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.199 -5.853 9.436 1.00 0.00 C ATOM 1476 CG LYS A 107 -10.141 -7.311 9.869 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.701 -8.248 8.739 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.270 -7.991 8.297 1.00 0.00 C ATOM 1479 NZ LYS A 107 -7.890 -8.834 7.148 1.00 0.00 N ATOM 0 H LYS A 107 -9.444 -4.697 7.417 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.536 -6.548 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.193 -5.522 9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.528 -5.248 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.450 -7.410 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.123 -7.618 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.796 -9.282 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.369 -8.124 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.156 -6.940 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.593 -8.184 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.883 -8.691 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.055 -9.834 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.463 -8.572 6.321 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.122 -3.372 8.476 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.211 -2.433 8.665 1.00 0.00 C ATOM 1495 C ARG A 108 -14.232 -2.591 7.561 1.00 0.00 C ATOM 1496 O ARG A 108 -15.422 -2.602 7.812 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.735 -0.976 8.778 1.00 0.00 C ATOM 1498 CG ARG A 108 -12.185 -0.605 10.145 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.778 0.865 10.209 1.00 0.00 C ATOM 1500 NE ARG A 108 -10.468 1.134 9.592 1.00 0.00 N ATOM 1501 CZ ARG A 108 -10.186 2.148 8.752 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -11.147 2.833 8.153 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -8.937 2.438 8.479 1.00 0.00 N ATOM 0 H ARG A 108 -11.233 -2.941 8.224 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.679 -2.671 9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.964 -0.798 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.568 -0.314 8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.937 -0.808 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.323 -1.232 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.537 1.467 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.753 1.183 11.251 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.707 0.495 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.124 2.597 8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.910 3.597 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.183 1.896 8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.719 3.205 7.843 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.753 -2.756 6.340 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.617 -2.962 5.206 1.00 0.00 C ATOM 1519 C VAL A 109 -15.391 -4.270 5.363 1.00 0.00 C ATOM 1520 O VAL A 109 -16.602 -4.339 5.067 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.844 -2.928 3.860 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.764 -3.224 2.693 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.207 -1.572 3.660 1.00 0.00 C ATOM 0 H VAL A 109 -12.758 -2.750 6.114 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.325 -2.134 5.178 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.072 -3.696 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.195 -3.193 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.202 -4.214 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.558 -2.478 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.668 -1.560 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.981 -0.805 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.512 -1.372 4.476 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.704 -5.299 5.849 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.355 -6.575 6.141 1.00 0.00 C ATOM 1535 C GLN A 110 -16.351 -6.425 7.257 1.00 0.00 C ATOM 1536 O GLN A 110 -17.386 -7.089 7.275 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.375 -7.680 6.497 1.00 0.00 C ATOM 1538 CG GLN A 110 -13.505 -8.131 5.357 1.00 0.00 C ATOM 1539 CD GLN A 110 -12.662 -9.346 5.699 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -12.335 -10.141 4.819 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -12.326 -9.520 6.957 1.00 0.00 N ATOM 0 H GLN A 110 -13.704 -5.277 6.048 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.862 -6.866 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.737 -7.334 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.934 -8.537 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.133 -8.362 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.849 -7.312 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.614 -8.840 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.777 -10.335 7.230 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.039 -5.544 8.177 1.00 0.00 N ATOM 1551 CA ASP A 111 -16.885 -5.308 9.321 1.00 0.00 C ATOM 1552 C ASP A 111 -18.163 -4.581 8.937 1.00 0.00 C ATOM 1553 O ASP A 111 -19.248 -4.936 9.387 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.149 -4.553 10.421 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.046 -4.208 11.581 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.467 -5.119 12.312 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -17.342 -3.019 11.776 1.00 0.00 O ATOM 0 H ASP A 111 -15.194 -4.973 8.154 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.161 -6.287 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.315 -5.158 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.725 -3.637 10.008 1.00 0.00 H new ATOM 1562 N SER A 112 -18.025 -3.581 8.077 1.00 0.00 N ATOM 1563 CA SER A 112 -19.157 -2.805 7.606 1.00 0.00 C ATOM 1564 C SER A 112 -20.072 -3.700 6.784 1.00 0.00 C ATOM 1565 O SER A 112 -21.284 -3.499 6.754 1.00 0.00 O ATOM 1566 CB SER A 112 -18.660 -1.636 6.777 1.00 0.00 C ATOM 1567 OG SER A 112 -17.686 -0.902 7.498 1.00 0.00 O ATOM 0 H SER A 112 -17.128 -3.288 7.689 1.00 0.00 H new ATOM 0 HA SER A 112 -19.720 -2.413 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.233 -1.999 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.495 -0.986 6.515 1.00 0.00 H new ATOM 0 HG SER A 112 -16.841 -1.398 7.504 1.00 0.00 H new ATOM 1573 N GLU A 113 -19.438 -4.680 6.128 1.00 0.00 N ATOM 1574 CA GLU A 113 -20.080 -5.750 5.395 1.00 0.00 C ATOM 1575 C GLU A 113 -20.854 -5.235 4.176 1.00 0.00 C ATOM 1576 O GLU A 113 -20.222 -5.054 3.113 1.00 0.00 O ATOM 1577 CB GLU A 113 -20.940 -6.594 6.344 1.00 0.00 C ATOM 1578 CG GLU A 113 -21.470 -7.858 5.739 1.00 0.00 C ATOM 1579 CD GLU A 113 -22.193 -8.709 6.745 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -23.344 -8.385 7.111 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -21.605 -9.708 7.222 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.052 -4.988 4.255 1.00 0.00 O ATOM 0 H GLU A 113 -18.420 -4.741 6.100 1.00 0.00 H new ATOM 0 HA GLU A 113 -19.308 -6.402 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -20.348 -6.847 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -21.780 -5.990 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -22.147 -7.611 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -20.645 -8.427 5.310 1.00 0.00 H new TER 1589 GLU A 113