USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 806 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 45 GLN : amide:sc= 0 X(o=-0.28,f=-0.74) USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc= -0.279 USER MOD Set 2.1: A 38 THR OG1 : rot -67:sc= -0.65! USER MOD Set 2.2: A 40 SER OG : rot 90:sc= 0.413 USER MOD Set 2.3: A 47 GLN : amide:sc= 1.63 K(o=3.5,f=-3.7) USER MOD Set 2.4: A 58 MET CE :methyl 167:sc= -0.177 (180deg=-0.685) USER MOD Set 2.5: A 98 THR OG1 : rot -136:sc= 1.69 USER MOD Set 2.6: A 127 SER OG : rot -144:sc= 0.577 USER MOD Set 3.1: A 62 GLN : amide:sc= -1.06 K(o=1,f=1.9) USER MOD Set 3.2: A 68 SER OG : rot -23:sc= 1.54 USER MOD Set 3.3: A 126 HIS : no HE2:sc= 0.543 K(o=1,f=-3.7!) USER MOD Single : A 27 SER OG : rot -55:sc= 1.22 USER MOD Single : A 29 TYR OH : rot 60:sc= 0.617 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.7) USER MOD Single : A 42 SER OG : rot -112:sc= 1.11 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.0239 (180deg=-0.201) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.0161 (180deg=-0.165) USER MOD Single : A 57 HIS : no HE2:sc= 0.0679 K(o=0.068,f=-1.4!) USER MOD Single : A 61 SER OG : rot 125:sc= -0.758 USER MOD Single : A 63 SER OG : rot 85:sc= 1.62 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0195 (180deg=-0.186) USER MOD Single : A 70 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.068) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0882 X(o=-0.088,f=-0.16) USER MOD Single : A 78 SER OG : rot -91:sc= 0.599 USER MOD Single : A 79 LYS NZ :NH3+ -107:sc= -0.0203 (180deg=-1.3) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.38) USER MOD Single : A 91 SER OG : rot 180:sc= -0.253 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -86:sc= 0.947 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.000268 X(o=-0.00027,f=-0.43) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 110:sc= 0.813 USER MOD Single : A 116 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-2!) USER MOD Single : A 120 SER OG : rot 170:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0263 K(o=-0.026,f=-2.5!) USER MOD Single : A 124 MET CE :methyl 161:sc= -0.17 (180deg=-0.708) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -8.743 -0.215 14.876 1.00 0.00 N ATOM 2 CA ARG A 25 -8.667 -0.970 13.603 1.00 0.00 C ATOM 3 C ARG A 25 -7.293 -0.814 12.978 1.00 0.00 C ATOM 4 O ARG A 25 -6.390 -0.231 13.578 1.00 0.00 O ATOM 5 CB ARG A 25 -9.722 -0.475 12.610 1.00 0.00 C ATOM 6 CG ARG A 25 -11.155 -0.699 13.054 1.00 0.00 C ATOM 7 CD ARG A 25 -12.133 -0.244 11.983 1.00 0.00 C ATOM 8 NE ARG A 25 -11.887 1.139 11.569 1.00 0.00 N ATOM 9 CZ ARG A 25 -12.658 1.812 10.722 1.00 0.00 C ATOM 10 NH1 ARG A 25 -13.754 1.251 10.226 1.00 0.00 N ATOM 11 NH2 ARG A 25 -12.342 3.051 10.375 1.00 0.00 N ATOM 0 HA ARG A 25 -8.852 -2.020 13.829 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.570 0.591 12.438 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.568 -0.977 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.312 -1.756 13.270 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.343 -0.153 13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.054 -0.901 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.152 -0.334 12.360 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.072 1.616 11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.007 0.300 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.344 1.771 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.505 3.490 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.936 3.566 9.724 1.00 0.00 H new ATOM 23 N LEU A 26 -7.140 -1.355 11.778 1.00 0.00 N ATOM 24 CA LEU A 26 -5.924 -1.175 11.008 1.00 0.00 C ATOM 25 C LEU A 26 -6.227 -0.437 9.714 1.00 0.00 C ATOM 26 O LEU A 26 -6.280 -1.036 8.647 1.00 0.00 O ATOM 27 CB LEU A 26 -5.264 -2.521 10.691 1.00 0.00 C ATOM 28 CG LEU A 26 -4.669 -3.261 11.890 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.131 -4.613 11.458 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.562 -2.437 12.533 1.00 0.00 C ATOM 0 H LEU A 26 -7.849 -1.925 11.317 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.232 -0.585 11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.004 -3.167 10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.473 -2.355 9.960 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.458 -3.414 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.710 -5.130 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.941 -5.209 11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.355 -4.472 10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.151 -2.980 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.773 -2.256 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.968 -1.484 12.873 1.00 0.00 H new ATOM 42 N SER A 27 -6.466 0.854 9.816 1.00 0.00 N ATOM 43 CA SER A 27 -6.631 1.690 8.641 1.00 0.00 C ATOM 44 C SER A 27 -5.532 2.738 8.630 1.00 0.00 C ATOM 45 O SER A 27 -4.969 3.052 9.678 1.00 0.00 O ATOM 46 CB SER A 27 -8.014 2.353 8.641 1.00 0.00 C ATOM 47 OG SER A 27 -8.201 3.181 9.778 1.00 0.00 O ATOM 0 H SER A 27 -6.551 1.350 10.703 1.00 0.00 H new ATOM 0 HA SER A 27 -6.559 1.078 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.132 2.947 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.786 1.584 8.621 1.00 0.00 H new ATOM 0 HG SER A 27 -8.038 2.660 10.592 1.00 0.00 H new ATOM 53 N TRP A 28 -5.220 3.286 7.461 1.00 0.00 N ATOM 54 CA TRP A 28 -4.136 4.261 7.359 1.00 0.00 C ATOM 55 C TRP A 28 -4.545 5.632 7.907 1.00 0.00 C ATOM 56 O TRP A 28 -3.987 6.659 7.523 1.00 0.00 O ATOM 57 CB TRP A 28 -3.603 4.371 5.921 1.00 0.00 C ATOM 58 CG TRP A 28 -4.618 4.725 4.866 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.770 5.445 5.020 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.541 4.391 3.474 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.418 5.564 3.814 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.682 4.929 2.850 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.618 3.686 2.696 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.923 4.783 1.485 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.858 3.543 1.343 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.002 4.089 0.749 1.00 0.00 C ATOM 0 H TRP A 28 -5.693 3.077 6.582 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.322 3.893 7.983 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.813 5.122 5.904 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.144 3.420 5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.120 5.860 5.954 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.303 6.047 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.733 3.260 3.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.805 5.203 1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.151 3.001 0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.161 3.960 -0.311 1.00 0.00 H new ATOM 77 N TYR A 29 -5.528 5.633 8.800 1.00 0.00 N ATOM 78 CA TYR A 29 -5.911 6.831 9.527 1.00 0.00 C ATOM 79 C TYR A 29 -5.739 6.610 11.027 1.00 0.00 C ATOM 80 O TYR A 29 -5.976 7.515 11.828 1.00 0.00 O ATOM 81 CB TYR A 29 -7.361 7.215 9.223 1.00 0.00 C ATOM 82 CG TYR A 29 -7.590 7.637 7.790 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.960 8.762 7.272 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.426 6.909 6.951 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.155 9.150 5.962 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.625 7.290 5.639 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.985 8.410 5.148 1.00 0.00 C ATOM 88 OH TYR A 29 -8.174 8.789 3.839 1.00 0.00 O ATOM 0 H TYR A 29 -6.077 4.807 9.037 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.263 7.646 9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.007 6.367 9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.658 8.029 9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.306 9.343 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.928 6.032 7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.660 10.029 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.278 6.714 5.000 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.314 8.782 3.369 1.00 0.00 H new ATOM 98 N ASP A 30 -5.342 5.398 11.405 1.00 0.00 N ATOM 99 CA ASP A 30 -5.152 5.057 12.809 1.00 0.00 C ATOM 100 C ASP A 30 -3.723 5.356 13.232 1.00 0.00 C ATOM 101 O ASP A 30 -2.781 5.131 12.475 1.00 0.00 O ATOM 102 CB ASP A 30 -5.447 3.575 13.063 1.00 0.00 C ATOM 103 CG ASP A 30 -6.896 3.205 12.834 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.777 3.784 13.508 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.165 2.331 11.985 1.00 0.00 O ATOM 0 H ASP A 30 -5.146 4.636 10.756 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.846 5.661 13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.817 2.970 12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.174 3.328 14.089 1.00 0.00 H new ATOM 110 N PRO A 31 -3.543 5.864 14.461 1.00 0.00 N ATOM 111 CA PRO A 31 -2.221 6.188 15.000 1.00 0.00 C ATOM 112 C PRO A 31 -1.407 4.931 15.278 1.00 0.00 C ATOM 113 O PRO A 31 -0.188 4.980 15.423 1.00 0.00 O ATOM 114 CB PRO A 31 -2.526 6.932 16.311 1.00 0.00 C ATOM 115 CG PRO A 31 -3.986 7.234 16.269 1.00 0.00 C ATOM 116 CD PRO A 31 -4.608 6.170 15.418 1.00 0.00 C ATOM 0 HA PRO A 31 -1.627 6.778 14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.277 6.319 17.177 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.938 7.847 16.389 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.413 7.230 17.272 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.167 8.224 15.849 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.890 5.295 16.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.511 6.525 14.920 1.00 0.00 H new ATOM 124 N ASP A 32 -2.101 3.805 15.354 1.00 0.00 N ATOM 125 CA ASP A 32 -1.463 2.513 15.585 1.00 0.00 C ATOM 126 C ASP A 32 -0.973 1.901 14.278 1.00 0.00 C ATOM 127 O ASP A 32 -0.281 0.882 14.284 1.00 0.00 O ATOM 128 CB ASP A 32 -2.438 1.545 16.255 1.00 0.00 C ATOM 129 CG ASP A 32 -2.813 1.965 17.658 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.598 2.923 17.811 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.323 1.335 18.618 1.00 0.00 O ATOM 0 H ASP A 32 -3.115 3.758 15.258 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.608 2.683 16.240 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.341 1.470 15.650 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.992 0.551 16.286 1.00 0.00 H new ATOM 136 N PHE A 33 -1.329 2.526 13.167 1.00 0.00 N ATOM 137 CA PHE A 33 -0.984 2.004 11.855 1.00 0.00 C ATOM 138 C PHE A 33 0.453 2.362 11.489 1.00 0.00 C ATOM 139 O PHE A 33 0.813 3.537 11.408 1.00 0.00 O ATOM 140 CB PHE A 33 -1.952 2.552 10.804 1.00 0.00 C ATOM 141 CG PHE A 33 -1.737 1.993 9.428 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.152 0.710 9.116 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.125 2.753 8.445 1.00 0.00 C ATOM 144 CE1 PHE A 33 -1.962 0.196 7.851 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.932 2.244 7.177 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.352 0.965 6.879 1.00 0.00 C ATOM 0 H PHE A 33 -1.858 3.398 13.148 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.066 0.917 11.883 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.973 2.336 11.118 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.853 3.637 10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.630 0.105 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.795 3.756 8.674 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.290 -0.807 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.453 2.846 6.419 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.204 0.565 5.887 1.00 0.00 H new ATOM 156 N GLN A 34 1.268 1.342 11.286 1.00 0.00 N ATOM 157 CA GLN A 34 2.644 1.534 10.862 1.00 0.00 C ATOM 158 C GLN A 34 2.843 0.973 9.462 1.00 0.00 C ATOM 159 O GLN A 34 2.401 -0.137 9.160 1.00 0.00 O ATOM 160 CB GLN A 34 3.608 0.867 11.844 1.00 0.00 C ATOM 161 CG GLN A 34 3.745 1.612 13.159 1.00 0.00 C ATOM 162 CD GLN A 34 4.728 0.951 14.104 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.928 1.225 14.061 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.226 0.087 14.974 1.00 0.00 N ATOM 0 H GLN A 34 0.998 0.366 11.409 1.00 0.00 H new ATOM 0 HA GLN A 34 2.856 2.603 10.846 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.265 -0.148 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.590 0.785 11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.068 2.634 12.961 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.769 1.674 13.641 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.226 -0.112 14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.840 -0.379 15.642 1.00 0.00 H new ATOM 173 N ALA A 35 3.496 1.746 8.606 1.00 0.00 N ATOM 174 CA ALA A 35 3.720 1.337 7.230 1.00 0.00 C ATOM 175 C ALA A 35 5.049 1.867 6.716 1.00 0.00 C ATOM 176 O ALA A 35 5.634 2.779 7.306 1.00 0.00 O ATOM 177 CB ALA A 35 2.586 1.827 6.341 1.00 0.00 C ATOM 0 H ALA A 35 3.880 2.661 8.842 1.00 0.00 H new ATOM 0 HA ALA A 35 3.749 0.248 7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.768 1.513 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.643 1.405 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.534 2.915 6.384 1.00 0.00 H new ATOM 183 N ARG A 36 5.517 1.290 5.623 1.00 0.00 N ATOM 184 CA ARG A 36 6.747 1.722 4.987 1.00 0.00 C ATOM 185 C ARG A 36 6.605 1.647 3.475 1.00 0.00 C ATOM 186 O ARG A 36 5.866 0.814 2.949 1.00 0.00 O ATOM 187 CB ARG A 36 7.932 0.843 5.415 1.00 0.00 C ATOM 188 CG ARG A 36 7.822 -0.602 4.936 1.00 0.00 C ATOM 189 CD ARG A 36 9.157 -1.331 4.983 1.00 0.00 C ATOM 190 NE ARG A 36 9.718 -1.401 6.331 1.00 0.00 N ATOM 191 CZ ARG A 36 10.255 -2.501 6.848 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.271 -3.625 6.145 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.779 -2.480 8.062 1.00 0.00 N ATOM 0 H ARG A 36 5.056 0.511 5.153 1.00 0.00 H new ATOM 0 HA ARG A 36 6.937 2.750 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.854 1.277 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.007 0.852 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.099 -1.133 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.439 -0.616 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.028 -2.342 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.865 -0.826 4.326 1.00 0.00 H new ATOM 0 HE ARG A 36 9.696 -0.559 6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.871 -3.646 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.683 -4.469 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.772 -1.617 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.190 -3.327 8.455 1.00 0.00 H new ATOM 206 N LEU A 37 7.297 2.528 2.785 1.00 0.00 N ATOM 207 CA LEU A 37 7.454 2.407 1.352 1.00 0.00 C ATOM 208 C LEU A 37 8.806 1.780 1.076 1.00 0.00 C ATOM 209 O LEU A 37 9.842 2.383 1.357 1.00 0.00 O ATOM 210 CB LEU A 37 7.339 3.774 0.677 1.00 0.00 C ATOM 211 CG LEU A 37 5.952 4.413 0.751 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.994 5.847 0.251 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.958 3.602 -0.064 1.00 0.00 C ATOM 0 H LEU A 37 7.761 3.338 3.195 1.00 0.00 H new ATOM 0 HA LEU A 37 6.664 1.778 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.060 4.451 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.620 3.670 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 37 5.632 4.422 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.997 6.283 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.682 6.427 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.333 5.861 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.974 4.066 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.281 3.570 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.905 2.588 0.331 1.00 0.00 H new ATOM 225 N THR A 38 8.791 0.552 0.580 1.00 0.00 N ATOM 226 CA THR A 38 10.021 -0.180 0.327 1.00 0.00 C ATOM 227 C THR A 38 10.940 0.624 -0.582 1.00 0.00 C ATOM 228 O THR A 38 10.483 1.243 -1.549 1.00 0.00 O ATOM 229 CB THR A 38 9.738 -1.558 -0.298 1.00 0.00 C ATOM 230 OG1 THR A 38 8.864 -1.412 -1.421 1.00 0.00 O ATOM 231 CG2 THR A 38 9.107 -2.500 0.719 1.00 0.00 C ATOM 0 H THR A 38 7.940 0.042 0.345 1.00 0.00 H new ATOM 0 HA THR A 38 10.514 -0.338 1.286 1.00 0.00 H new ATOM 0 HB THR A 38 10.687 -1.985 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.982 -1.116 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.917 -3.466 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.785 -2.632 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.166 -2.077 1.072 1.00 0.00 H new ATOM 239 N ARG A 39 12.227 0.619 -0.267 1.00 0.00 N ATOM 240 CA ARG A 39 13.188 1.453 -0.981 1.00 0.00 C ATOM 241 C ARG A 39 13.491 0.899 -2.370 1.00 0.00 C ATOM 242 O ARG A 39 14.605 0.464 -2.663 1.00 0.00 O ATOM 243 CB ARG A 39 14.484 1.678 -0.170 1.00 0.00 C ATOM 244 CG ARG A 39 14.870 0.561 0.798 1.00 0.00 C ATOM 245 CD ARG A 39 15.177 -0.752 0.092 1.00 0.00 C ATOM 246 NE ARG A 39 15.593 -1.790 1.034 1.00 0.00 N ATOM 247 CZ ARG A 39 15.845 -3.049 0.691 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.734 -3.432 -0.575 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.205 -3.934 1.610 1.00 0.00 N ATOM 0 H ARG A 39 12.631 0.049 0.476 1.00 0.00 H new ATOM 0 HA ARG A 39 12.720 2.429 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.306 1.825 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.378 2.603 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.742 0.871 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.058 0.405 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.294 -1.087 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.964 -0.593 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 39 15.696 -1.532 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.454 -2.759 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.928 -4.399 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.290 -3.650 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.397 -4.899 1.341 1.00 0.00 H new ATOM 262 N SER A 40 12.474 0.922 -3.216 1.00 0.00 N ATOM 263 CA SER A 40 12.608 0.532 -4.606 1.00 0.00 C ATOM 264 C SER A 40 13.328 1.642 -5.369 1.00 0.00 C ATOM 265 O SER A 40 14.334 1.412 -6.042 1.00 0.00 O ATOM 266 CB SER A 40 11.220 0.278 -5.197 1.00 0.00 C ATOM 267 OG SER A 40 10.459 -0.575 -4.353 1.00 0.00 O ATOM 0 H SER A 40 11.532 1.212 -2.956 1.00 0.00 H new ATOM 0 HA SER A 40 13.192 -0.385 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.698 1.225 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.318 -0.173 -6.184 1.00 0.00 H new ATOM 0 HG SER A 40 9.958 -0.034 -3.707 1.00 0.00 H new ATOM 273 N ASN A 41 12.808 2.854 -5.235 1.00 0.00 N ATOM 274 CA ASN A 41 13.449 4.030 -5.802 1.00 0.00 C ATOM 275 C ASN A 41 13.958 4.926 -4.686 1.00 0.00 C ATOM 276 O ASN A 41 15.071 5.446 -4.745 1.00 0.00 O ATOM 277 CB ASN A 41 12.473 4.802 -6.688 1.00 0.00 C ATOM 278 CG ASN A 41 12.157 4.074 -7.977 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.236 3.264 -8.035 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.910 4.366 -9.024 1.00 0.00 N ATOM 0 H ASN A 41 11.940 3.048 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 41 14.289 3.707 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.549 4.977 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.895 5.780 -6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.735 3.912 -9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.666 5.045 -8.935 1.00 0.00 H new ATOM 287 N SER A 42 13.131 5.094 -3.664 1.00 0.00 N ATOM 288 CA SER A 42 13.498 5.868 -2.497 1.00 0.00 C ATOM 289 C SER A 42 12.666 5.401 -1.308 1.00 0.00 C ATOM 290 O SER A 42 11.797 4.543 -1.462 1.00 0.00 O ATOM 291 CB SER A 42 13.287 7.362 -2.765 1.00 0.00 C ATOM 292 OG SER A 42 13.812 8.156 -1.714 1.00 0.00 O ATOM 0 H SER A 42 12.192 4.698 -3.624 1.00 0.00 H new ATOM 0 HA SER A 42 14.553 5.717 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.767 7.636 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.222 7.566 -2.880 1.00 0.00 H new ATOM 0 HG SER A 42 13.077 8.591 -1.234 1.00 0.00 H new ATOM 298 N LYS A 43 12.917 5.964 -0.135 1.00 0.00 N ATOM 299 CA LYS A 43 12.221 5.539 1.074 1.00 0.00 C ATOM 300 C LYS A 43 10.783 6.052 1.069 1.00 0.00 C ATOM 301 O LYS A 43 9.930 5.543 1.792 1.00 0.00 O ATOM 302 CB LYS A 43 12.954 6.021 2.337 1.00 0.00 C ATOM 303 CG LYS A 43 12.641 7.456 2.749 1.00 0.00 C ATOM 304 CD LYS A 43 13.214 8.481 1.784 1.00 0.00 C ATOM 305 CE LYS A 43 12.720 9.881 2.114 1.00 0.00 C ATOM 306 NZ LYS A 43 13.037 10.263 3.514 1.00 0.00 N ATOM 0 H LYS A 43 13.594 6.713 0.007 1.00 0.00 H new ATOM 0 HA LYS A 43 12.207 4.449 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.700 5.357 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.028 5.931 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.560 7.585 2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.041 7.639 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.303 8.457 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.930 8.223 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.175 10.597 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.642 9.932 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.824 11.271 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.464 9.693 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.046 10.093 3.700 1.00 0.00 H new ATOM 319 N CYS A 44 10.524 7.066 0.251 1.00 0.00 N ATOM 320 CA CYS A 44 9.198 7.652 0.166 1.00 0.00 C ATOM 321 C CYS A 44 8.638 7.457 -1.240 1.00 0.00 C ATOM 322 O CYS A 44 7.789 8.223 -1.710 1.00 0.00 O ATOM 323 CB CYS A 44 9.266 9.138 0.527 1.00 0.00 C ATOM 324 SG CYS A 44 7.672 9.877 1.004 1.00 0.00 S ATOM 0 H CYS A 44 11.217 7.497 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 44 8.532 7.157 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.971 9.267 1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.665 9.687 -0.325 1.00 0.00 H new ATOM 329 N GLN A 45 9.125 6.414 -1.903 1.00 0.00 N ATOM 330 CA GLN A 45 8.687 6.080 -3.248 1.00 0.00 C ATOM 331 C GLN A 45 8.985 4.618 -3.546 1.00 0.00 C ATOM 332 O GLN A 45 10.130 4.249 -3.835 1.00 0.00 O ATOM 333 CB GLN A 45 9.374 6.973 -4.283 1.00 0.00 C ATOM 334 CG GLN A 45 9.000 6.644 -5.721 1.00 0.00 C ATOM 335 CD GLN A 45 9.682 7.544 -6.732 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.806 8.003 -6.522 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.996 7.819 -7.829 1.00 0.00 N ATOM 0 H GLN A 45 9.830 5.782 -1.524 1.00 0.00 H new ATOM 0 HA GLN A 45 7.612 6.247 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.118 8.013 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.454 6.882 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.263 5.607 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.920 6.729 -5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.068 7.418 -7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.395 8.432 -8.540 1.00 0.00 H new ATOM 346 N GLY A 46 7.958 3.791 -3.472 1.00 0.00 N ATOM 347 CA GLY A 46 8.141 2.377 -3.708 1.00 0.00 C ATOM 348 C GLY A 46 6.900 1.570 -3.389 1.00 0.00 C ATOM 349 O GLY A 46 5.789 2.108 -3.356 1.00 0.00 O ATOM 0 H GLY A 46 7.002 4.072 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.415 2.219 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.971 2.015 -3.102 1.00 0.00 H new ATOM 353 N GLN A 47 7.097 0.279 -3.156 1.00 0.00 N ATOM 354 CA GLN A 47 6.003 -0.635 -2.866 1.00 0.00 C ATOM 355 C GLN A 47 5.573 -0.495 -1.408 1.00 0.00 C ATOM 356 O GLN A 47 6.415 -0.483 -0.506 1.00 0.00 O ATOM 357 CB GLN A 47 6.452 -2.069 -3.155 1.00 0.00 C ATOM 358 CG GLN A 47 6.922 -2.273 -4.587 1.00 0.00 C ATOM 359 CD GLN A 47 7.813 -3.488 -4.744 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.338 -4.600 -4.978 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.116 -3.280 -4.631 1.00 0.00 N ATOM 0 H GLN A 47 8.017 -0.162 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 47 5.150 -0.392 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.260 -2.334 -2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.626 -2.750 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.054 -2.378 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.463 -1.386 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.468 -2.343 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.768 -4.057 -4.738 1.00 0.00 H new ATOM 370 N LEU A 48 4.271 -0.384 -1.186 1.00 0.00 N ATOM 371 CA LEU A 48 3.735 -0.177 0.154 1.00 0.00 C ATOM 372 C LEU A 48 3.756 -1.469 0.964 1.00 0.00 C ATOM 373 O LEU A 48 3.215 -2.495 0.543 1.00 0.00 O ATOM 374 CB LEU A 48 2.303 0.370 0.086 1.00 0.00 C ATOM 375 CG LEU A 48 1.678 0.744 1.437 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.405 1.924 2.068 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.202 1.059 1.270 1.00 0.00 C ATOM 0 H LEU A 48 3.563 -0.434 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 48 4.372 0.553 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.299 1.252 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.669 -0.375 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 48 1.779 -0.112 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.942 2.168 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.451 1.663 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.343 2.786 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.226 1.322 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.084 1.896 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.314 0.185 0.871 1.00 0.00 H new ATOM 389 N GLU A 49 4.391 -1.404 2.124 1.00 0.00 N ATOM 390 CA GLU A 49 4.421 -2.518 3.053 1.00 0.00 C ATOM 391 C GLU A 49 3.850 -2.059 4.389 1.00 0.00 C ATOM 392 O GLU A 49 4.205 -0.990 4.885 1.00 0.00 O ATOM 393 CB GLU A 49 5.854 -3.028 3.228 1.00 0.00 C ATOM 394 CG GLU A 49 5.943 -4.431 3.805 1.00 0.00 C ATOM 395 CD GLU A 49 7.374 -4.889 3.983 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.061 -4.372 4.884 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.822 -5.763 3.211 1.00 0.00 O ATOM 0 H GLU A 49 4.898 -0.579 2.445 1.00 0.00 H new ATOM 0 HA GLU A 49 3.819 -3.338 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.356 -3.011 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.396 -2.343 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.433 -4.459 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.421 -5.126 3.147 1.00 0.00 H new ATOM 404 N VAL A 50 2.956 -2.848 4.958 1.00 0.00 N ATOM 405 CA VAL A 50 2.248 -2.447 6.168 1.00 0.00 C ATOM 406 C VAL A 50 2.517 -3.416 7.316 1.00 0.00 C ATOM 407 O VAL A 50 2.822 -4.591 7.091 1.00 0.00 O ATOM 408 CB VAL A 50 0.723 -2.341 5.921 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.429 -1.330 4.823 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.130 -3.698 5.573 1.00 0.00 C ATOM 0 H VAL A 50 2.701 -3.770 4.604 1.00 0.00 H new ATOM 0 HA VAL A 50 2.626 -1.463 6.445 1.00 0.00 H new ATOM 0 HB VAL A 50 0.255 -1.996 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.648 -1.269 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.808 -0.352 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.916 -1.644 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.942 -3.594 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.604 -4.081 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.303 -4.392 6.395 1.00 0.00 H new ATOM 420 N TYR A 51 2.416 -2.917 8.542 1.00 0.00 N ATOM 421 CA TYR A 51 2.677 -3.731 9.722 1.00 0.00 C ATOM 422 C TYR A 51 1.379 -4.321 10.268 1.00 0.00 C ATOM 423 O TYR A 51 0.630 -3.652 10.986 1.00 0.00 O ATOM 424 CB TYR A 51 3.364 -2.893 10.807 1.00 0.00 C ATOM 425 CG TYR A 51 4.081 -3.722 11.852 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.402 -4.262 12.939 1.00 0.00 C ATOM 427 CD2 TYR A 51 5.443 -3.970 11.745 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.062 -5.023 13.886 1.00 0.00 C ATOM 429 CE2 TYR A 51 6.108 -4.730 12.686 1.00 0.00 C ATOM 430 CZ TYR A 51 5.416 -5.252 13.755 1.00 0.00 C ATOM 431 OH TYR A 51 6.082 -6.010 14.691 1.00 0.00 O ATOM 0 H TYR A 51 2.155 -1.952 8.745 1.00 0.00 H new ATOM 0 HA TYR A 51 3.338 -4.548 9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.080 -2.220 10.335 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.618 -2.270 11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.342 -4.084 13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.992 -3.561 10.910 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.520 -5.436 14.724 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.167 -4.914 12.584 1.00 0.00 H new ATOM 0 HH TYR A 51 7.029 -6.073 14.447 1.00 0.00 H new ATOM 441 N LEU A 52 1.123 -5.571 9.926 1.00 0.00 N ATOM 442 CA LEU A 52 -0.057 -6.277 10.406 1.00 0.00 C ATOM 443 C LEU A 52 0.263 -6.998 11.713 1.00 0.00 C ATOM 444 O LEU A 52 1.349 -6.827 12.268 1.00 0.00 O ATOM 445 CB LEU A 52 -0.542 -7.292 9.362 1.00 0.00 C ATOM 446 CG LEU A 52 -0.902 -6.721 7.990 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.241 -7.853 7.033 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.069 -5.747 8.092 1.00 0.00 C ATOM 0 H LEU A 52 1.721 -6.124 9.312 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.848 -5.547 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.235 -8.045 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.417 -7.804 9.761 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.041 -6.174 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.497 -7.440 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.381 -8.515 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.089 -8.417 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.304 -5.356 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.940 -6.264 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.799 -4.923 8.753 1.00 0.00 H new ATOM 460 N LYS A 53 -0.674 -7.804 12.193 1.00 0.00 N ATOM 461 CA LYS A 53 -0.482 -8.562 13.425 1.00 0.00 C ATOM 462 C LYS A 53 0.764 -9.445 13.341 1.00 0.00 C ATOM 463 O LYS A 53 1.541 -9.532 14.295 1.00 0.00 O ATOM 464 CB LYS A 53 -1.721 -9.421 13.708 1.00 0.00 C ATOM 465 CG LYS A 53 -1.637 -10.213 15.002 1.00 0.00 C ATOM 466 CD LYS A 53 -2.851 -11.108 15.186 1.00 0.00 C ATOM 467 CE LYS A 53 -2.764 -11.903 16.479 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.769 -11.026 17.677 1.00 0.00 N ATOM 0 H LYS A 53 -1.579 -7.951 11.747 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.339 -7.855 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.598 -8.775 13.745 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.869 -10.113 12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.732 -10.821 15.000 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.558 -9.527 15.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.756 -10.500 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.932 -11.792 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.603 -12.596 16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.854 -12.504 16.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.913 -11.604 18.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.859 -10.528 17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.539 -10.331 17.596 1.00 0.00 H new ATOM 481 N ASP A 54 0.968 -10.065 12.188 1.00 0.00 N ATOM 482 CA ASP A 54 2.065 -11.010 12.008 1.00 0.00 C ATOM 483 C ASP A 54 3.370 -10.292 11.673 1.00 0.00 C ATOM 484 O ASP A 54 4.442 -10.901 11.682 1.00 0.00 O ATOM 485 CB ASP A 54 1.733 -12.011 10.897 1.00 0.00 C ATOM 486 CG ASP A 54 1.923 -11.439 9.504 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.160 -10.532 9.109 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.838 -11.908 8.791 1.00 0.00 O ATOM 0 H ASP A 54 0.388 -9.931 11.360 1.00 0.00 H new ATOM 0 HA ASP A 54 2.196 -11.543 12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.364 -12.893 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.700 -12.341 11.010 1.00 0.00 H new ATOM 493 N GLY A 55 3.282 -9.004 11.387 1.00 0.00 N ATOM 494 CA GLY A 55 4.457 -8.252 11.012 1.00 0.00 C ATOM 495 C GLY A 55 4.276 -7.548 9.685 1.00 0.00 C ATOM 496 O GLY A 55 3.151 -7.243 9.287 1.00 0.00 O ATOM 0 H GLY A 55 2.416 -8.466 11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.680 -7.517 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.314 -8.923 10.953 1.00 0.00 H new ATOM 500 N TRP A 56 5.375 -7.304 8.988 1.00 0.00 N ATOM 501 CA TRP A 56 5.332 -6.579 7.723 1.00 0.00 C ATOM 502 C TRP A 56 4.736 -7.430 6.606 1.00 0.00 C ATOM 503 O TRP A 56 5.087 -8.600 6.442 1.00 0.00 O ATOM 504 CB TRP A 56 6.733 -6.105 7.329 1.00 0.00 C ATOM 505 CG TRP A 56 7.285 -5.065 8.257 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.226 -5.244 9.231 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.917 -3.682 8.303 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.462 -4.058 9.878 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.674 -3.083 9.327 1.00 0.00 C ATOM 510 CE3 TRP A 56 6.021 -2.889 7.578 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.561 -1.731 9.643 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.912 -1.549 7.893 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.677 -0.981 8.917 1.00 0.00 C ATOM 0 H TRP A 56 6.309 -7.597 9.275 1.00 0.00 H new ATOM 0 HA TRP A 56 4.687 -5.712 7.865 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.408 -6.961 7.310 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.702 -5.701 6.317 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.712 -6.181 9.458 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.119 -3.924 10.646 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.425 -3.317 6.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.151 -1.290 10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.224 -0.928 7.339 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.568 0.070 9.139 1.00 0.00 H new ATOM 524 N HIS A 57 3.821 -6.835 5.855 1.00 0.00 N ATOM 525 CA HIS A 57 3.202 -7.490 4.713 1.00 0.00 C ATOM 526 C HIS A 57 2.952 -6.470 3.607 1.00 0.00 C ATOM 527 O HIS A 57 2.525 -5.350 3.877 1.00 0.00 O ATOM 528 CB HIS A 57 1.881 -8.154 5.120 1.00 0.00 C ATOM 529 CG HIS A 57 1.931 -9.651 5.109 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.714 -10.432 6.227 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.161 -10.513 4.090 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.809 -11.706 5.894 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.076 -11.782 4.605 1.00 0.00 N ATOM 0 H HIS A 57 3.487 -5.885 6.020 1.00 0.00 H new ATOM 0 HA HIS A 57 3.878 -8.263 4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.607 -7.816 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.094 -7.821 4.444 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.512 -10.080 7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.372 -10.251 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.688 -12.544 6.564 1.00 0.00 H new ATOM 541 N MET A 58 3.226 -6.856 2.371 1.00 0.00 N ATOM 542 CA MET A 58 3.065 -5.957 1.234 1.00 0.00 C ATOM 543 C MET A 58 1.614 -5.935 0.779 1.00 0.00 C ATOM 544 O MET A 58 0.864 -6.862 1.064 1.00 0.00 O ATOM 545 CB MET A 58 3.959 -6.401 0.077 1.00 0.00 C ATOM 546 CG MET A 58 5.442 -6.384 0.406 1.00 0.00 C ATOM 547 SD MET A 58 6.450 -7.077 -0.917 1.00 0.00 S ATOM 548 CE MET A 58 5.942 -6.055 -2.299 1.00 0.00 C ATOM 0 H MET A 58 3.562 -7.788 2.127 1.00 0.00 H new ATOM 0 HA MET A 58 3.356 -4.954 1.545 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.675 -7.410 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.779 -5.751 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.756 -5.358 0.599 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.614 -6.948 1.323 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.632 -6.199 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.936 -6.337 -2.609 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.949 -5.007 -1.999 1.00 0.00 H new ATOM 558 N VAL A 59 1.223 -4.886 0.068 1.00 0.00 N ATOM 559 CA VAL A 59 -0.144 -4.775 -0.426 1.00 0.00 C ATOM 560 C VAL A 59 -0.174 -4.917 -1.947 1.00 0.00 C ATOM 561 O VAL A 59 0.674 -4.360 -2.649 1.00 0.00 O ATOM 562 CB VAL A 59 -0.792 -3.432 -0.013 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.261 -3.387 -0.417 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.647 -3.205 1.486 1.00 0.00 C ATOM 0 H VAL A 59 1.829 -4.103 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.721 -5.583 0.024 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.270 -2.632 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.692 -2.433 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.345 -3.497 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.798 -4.199 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.109 -2.256 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.138 -4.014 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.410 -3.182 1.750 1.00 0.00 H new ATOM 574 N CYS A 60 -1.134 -5.684 -2.449 1.00 0.00 N ATOM 575 CA CYS A 60 -1.276 -5.903 -3.883 1.00 0.00 C ATOM 576 C CYS A 60 -2.308 -4.932 -4.465 1.00 0.00 C ATOM 577 O CYS A 60 -3.328 -4.650 -3.830 1.00 0.00 O ATOM 578 CB CYS A 60 -1.700 -7.354 -4.145 1.00 0.00 C ATOM 579 SG CYS A 60 -1.646 -7.854 -5.895 1.00 0.00 S ATOM 0 H CYS A 60 -1.829 -6.167 -1.880 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.318 -5.721 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.053 -8.017 -3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.714 -7.496 -3.771 1.00 0.00 H new ATOM 584 N SER A 61 -2.041 -4.427 -5.669 1.00 0.00 N ATOM 585 CA SER A 61 -2.919 -3.454 -6.325 1.00 0.00 C ATOM 586 C SER A 61 -4.168 -4.121 -6.920 1.00 0.00 C ATOM 587 O SER A 61 -4.541 -3.859 -8.065 1.00 0.00 O ATOM 588 CB SER A 61 -2.153 -2.718 -7.426 1.00 0.00 C ATOM 589 OG SER A 61 -0.889 -2.276 -6.963 1.00 0.00 O ATOM 0 H SER A 61 -1.217 -4.677 -6.215 1.00 0.00 H new ATOM 0 HA SER A 61 -3.249 -2.744 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.019 -3.378 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.736 -1.864 -7.770 1.00 0.00 H new ATOM 0 HG SER A 61 -0.185 -2.625 -7.549 1.00 0.00 H new ATOM 595 N GLN A 62 -4.784 -4.998 -6.149 1.00 0.00 N ATOM 596 CA GLN A 62 -6.064 -5.589 -6.509 1.00 0.00 C ATOM 597 C GLN A 62 -6.944 -5.602 -5.261 1.00 0.00 C ATOM 598 O GLN A 62 -7.752 -6.502 -5.040 1.00 0.00 O ATOM 599 CB GLN A 62 -5.865 -7.008 -7.062 1.00 0.00 C ATOM 600 CG GLN A 62 -7.110 -7.602 -7.709 1.00 0.00 C ATOM 601 CD GLN A 62 -7.560 -6.842 -8.949 1.00 0.00 C ATOM 602 OE1 GLN A 62 -8.752 -6.776 -9.252 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.609 -6.280 -9.682 1.00 0.00 N ATOM 0 H GLN A 62 -4.413 -5.322 -5.256 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.545 -5.004 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.060 -6.991 -7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.543 -7.661 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.912 -8.640 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.921 -7.611 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.633 -6.357 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.854 -5.770 -10.531 1.00 0.00 H new ATOM 612 N SER A 63 -6.765 -4.582 -4.439 1.00 0.00 N ATOM 613 CA SER A 63 -7.432 -4.505 -3.157 1.00 0.00 C ATOM 614 C SER A 63 -8.565 -3.490 -3.204 1.00 0.00 C ATOM 615 O SER A 63 -8.596 -2.625 -4.081 1.00 0.00 O ATOM 616 CB SER A 63 -6.422 -4.119 -2.071 1.00 0.00 C ATOM 617 OG SER A 63 -5.410 -5.105 -1.939 1.00 0.00 O ATOM 0 H SER A 63 -6.156 -3.790 -4.643 1.00 0.00 H new ATOM 0 HA SER A 63 -7.856 -5.482 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.968 -3.159 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.938 -3.993 -1.119 1.00 0.00 H new ATOM 0 HG SER A 63 -4.702 -4.937 -2.596 1.00 0.00 H new ATOM 623 N TRP A 64 -9.499 -3.624 -2.268 1.00 0.00 N ATOM 624 CA TRP A 64 -10.598 -2.677 -2.097 1.00 0.00 C ATOM 625 C TRP A 64 -11.438 -2.554 -3.366 1.00 0.00 C ATOM 626 O TRP A 64 -12.034 -1.509 -3.636 1.00 0.00 O ATOM 627 CB TRP A 64 -10.050 -1.310 -1.677 1.00 0.00 C ATOM 628 CG TRP A 64 -9.164 -1.387 -0.471 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.525 -1.777 0.787 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.766 -1.074 -0.408 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.440 -1.722 1.627 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.350 -1.296 0.919 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.826 -0.629 -1.341 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.039 -1.087 1.331 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.523 -0.424 -0.928 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.141 -0.653 0.397 1.00 0.00 C ATOM 0 H TRP A 64 -9.516 -4.397 -1.602 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.251 -3.056 -1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.491 -0.877 -2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.883 -0.638 -1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.519 -2.084 1.079 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.446 -1.960 2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.112 -0.448 -2.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.740 -1.262 2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.788 -0.081 -1.641 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.115 -0.483 0.688 1.00 0.00 H new ATOM 647 N GLY A 65 -11.468 -3.631 -4.147 1.00 0.00 N ATOM 648 CA GLY A 65 -12.255 -3.658 -5.364 1.00 0.00 C ATOM 649 C GLY A 65 -11.717 -2.731 -6.437 1.00 0.00 C ATOM 650 O GLY A 65 -12.433 -2.382 -7.378 1.00 0.00 O ATOM 0 H GLY A 65 -10.956 -4.492 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.281 -4.677 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.283 -3.379 -5.132 1.00 0.00 H new ATOM 654 N ARG A 66 -10.461 -2.332 -6.300 1.00 0.00 N ATOM 655 CA ARG A 66 -9.835 -1.443 -7.265 1.00 0.00 C ATOM 656 C ARG A 66 -9.004 -2.240 -8.260 1.00 0.00 C ATOM 657 O ARG A 66 -8.257 -3.142 -7.881 1.00 0.00 O ATOM 658 CB ARG A 66 -8.950 -0.409 -6.559 1.00 0.00 C ATOM 659 CG ARG A 66 -9.692 0.484 -5.572 1.00 0.00 C ATOM 660 CD ARG A 66 -10.787 1.295 -6.252 1.00 0.00 C ATOM 661 NE ARG A 66 -11.381 2.278 -5.351 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.473 2.050 -4.626 1.00 0.00 C ATOM 663 NH1 ARG A 66 -13.075 0.868 -4.680 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.974 3.001 -3.854 1.00 0.00 N ATOM 0 H ARG A 66 -9.855 -2.611 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.625 -0.917 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.153 -0.931 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.474 0.219 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.130 -0.130 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.985 1.160 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.373 1.805 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.563 0.622 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.934 3.191 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.700 0.132 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.912 0.696 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.523 3.915 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.811 2.820 -3.300 1.00 0.00 H new ATOM 677 N SER A 67 -9.150 -1.903 -9.529 1.00 0.00 N ATOM 678 CA SER A 67 -8.406 -2.557 -10.590 1.00 0.00 C ATOM 679 C SER A 67 -6.954 -2.078 -10.572 1.00 0.00 C ATOM 680 O SER A 67 -6.653 -1.034 -9.987 1.00 0.00 O ATOM 681 CB SER A 67 -9.053 -2.228 -11.931 1.00 0.00 C ATOM 682 OG SER A 67 -10.474 -2.275 -11.838 1.00 0.00 O ATOM 0 H SER A 67 -9.784 -1.172 -9.852 1.00 0.00 H new ATOM 0 HA SER A 67 -8.420 -3.636 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.739 -1.236 -12.257 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.711 -2.935 -12.687 1.00 0.00 H new ATOM 0 HG SER A 67 -10.866 -2.059 -12.710 1.00 0.00 H new ATOM 688 N SER A 68 -6.063 -2.832 -11.217 1.00 0.00 N ATOM 689 CA SER A 68 -4.639 -2.506 -11.247 1.00 0.00 C ATOM 690 C SER A 68 -4.346 -1.329 -12.181 1.00 0.00 C ATOM 691 O SER A 68 -3.573 -1.444 -13.134 1.00 0.00 O ATOM 692 CB SER A 68 -3.826 -3.731 -11.665 1.00 0.00 C ATOM 693 OG SER A 68 -3.889 -4.751 -10.678 1.00 0.00 O ATOM 0 H SER A 68 -6.307 -3.680 -11.729 1.00 0.00 H new ATOM 0 HA SER A 68 -4.346 -2.208 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.203 -4.115 -12.613 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.787 -3.443 -11.828 1.00 0.00 H new ATOM 0 HG SER A 68 -4.117 -4.354 -9.812 1.00 0.00 H new ATOM 699 N LYS A 69 -4.985 -0.213 -11.887 1.00 0.00 N ATOM 700 CA LYS A 69 -4.758 1.046 -12.569 1.00 0.00 C ATOM 701 C LYS A 69 -4.720 2.141 -11.520 1.00 0.00 C ATOM 702 O LYS A 69 -5.339 2.000 -10.464 1.00 0.00 O ATOM 703 CB LYS A 69 -5.873 1.336 -13.580 1.00 0.00 C ATOM 704 CG LYS A 69 -5.818 0.471 -14.832 1.00 0.00 C ATOM 705 CD LYS A 69 -4.523 0.691 -15.600 1.00 0.00 C ATOM 706 CE LYS A 69 -4.517 -0.053 -16.927 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.529 0.485 -17.880 1.00 0.00 N ATOM 0 H LYS A 69 -5.691 -0.155 -11.153 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.818 0.999 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.837 1.190 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.819 2.384 -13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.905 -0.580 -14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.668 0.702 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.385 1.757 -15.781 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.680 0.359 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.526 0.016 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.714 -1.110 -16.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.336 0.120 -18.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.480 0.188 -17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.479 1.524 -17.890 1.00 0.00 H new ATOM 720 N GLN A 70 -3.984 3.206 -11.790 1.00 0.00 N ATOM 721 CA GLN A 70 -3.879 4.309 -10.846 1.00 0.00 C ATOM 722 C GLN A 70 -5.230 4.972 -10.623 1.00 0.00 C ATOM 723 O GLN A 70 -5.671 5.786 -11.440 1.00 0.00 O ATOM 724 CB GLN A 70 -2.881 5.367 -11.329 1.00 0.00 C ATOM 725 CG GLN A 70 -1.423 4.973 -11.177 1.00 0.00 C ATOM 726 CD GLN A 70 -0.483 6.113 -11.520 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.637 5.895 -11.982 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.934 7.341 -11.295 1.00 0.00 N ATOM 0 H GLN A 70 -3.452 3.331 -12.651 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.524 3.885 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.079 5.582 -12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.054 6.291 -10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.241 4.650 -10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.209 4.121 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.869 7.479 -10.911 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.346 8.147 -11.506 1.00 0.00 H new ATOM 737 N TRP A 71 -5.899 4.605 -9.535 1.00 0.00 N ATOM 738 CA TRP A 71 -7.097 5.310 -9.121 1.00 0.00 C ATOM 739 C TRP A 71 -6.706 6.721 -8.712 1.00 0.00 C ATOM 740 O TRP A 71 -5.744 6.919 -7.967 1.00 0.00 O ATOM 741 CB TRP A 71 -7.819 4.577 -7.977 1.00 0.00 C ATOM 742 CG TRP A 71 -6.922 4.148 -6.856 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.567 4.882 -5.763 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.280 2.877 -6.714 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.740 4.146 -4.950 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.550 2.910 -5.513 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.254 1.715 -7.488 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.802 1.823 -5.070 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.511 0.637 -7.046 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.795 0.698 -5.846 1.00 0.00 C ATOM 0 H TRP A 71 -5.631 3.828 -8.931 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.800 5.349 -9.953 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.595 5.229 -7.576 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.319 3.698 -8.383 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.889 5.894 -5.566 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.334 4.466 -4.071 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.805 1.660 -8.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.246 1.867 -4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.483 -0.267 -7.636 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.225 -0.162 -5.526 1.00 0.00 H new ATOM 761 N GLU A 72 -7.433 7.702 -9.205 1.00 0.00 N ATOM 762 CA GLU A 72 -7.007 9.082 -9.078 1.00 0.00 C ATOM 763 C GLU A 72 -7.548 9.698 -7.794 1.00 0.00 C ATOM 764 O GLU A 72 -8.187 10.751 -7.805 1.00 0.00 O ATOM 765 CB GLU A 72 -7.440 9.872 -10.313 1.00 0.00 C ATOM 766 CG GLU A 72 -7.082 9.162 -11.612 1.00 0.00 C ATOM 767 CD GLU A 72 -7.123 10.067 -12.821 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.169 10.702 -13.063 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.102 10.147 -13.539 1.00 0.00 O ATOM 0 H GLU A 72 -8.318 7.572 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.919 9.118 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.517 10.036 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.967 10.854 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.083 8.735 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.771 8.332 -11.765 1.00 0.00 H new ATOM 776 N ASP A 73 -7.294 9.006 -6.691 1.00 0.00 N ATOM 777 CA ASP A 73 -7.640 9.491 -5.358 1.00 0.00 C ATOM 778 C ASP A 73 -6.469 9.254 -4.397 1.00 0.00 C ATOM 779 O ASP A 73 -6.639 8.653 -3.335 1.00 0.00 O ATOM 780 CB ASP A 73 -8.892 8.775 -4.824 1.00 0.00 C ATOM 781 CG ASP A 73 -10.129 9.003 -5.673 1.00 0.00 C ATOM 782 OD1 ASP A 73 -10.834 10.008 -5.448 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.412 8.166 -6.561 1.00 0.00 O ATOM 0 H ASP A 73 -6.842 8.092 -6.694 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.849 10.559 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.692 7.705 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.090 9.117 -3.808 1.00 0.00 H new ATOM 788 N PRO A 74 -5.256 9.729 -4.742 1.00 0.00 N ATOM 789 CA PRO A 74 -4.037 9.415 -3.990 1.00 0.00 C ATOM 790 C PRO A 74 -3.951 10.177 -2.671 1.00 0.00 C ATOM 791 O PRO A 74 -3.282 9.743 -1.732 1.00 0.00 O ATOM 792 CB PRO A 74 -2.900 9.850 -4.932 1.00 0.00 C ATOM 793 CG PRO A 74 -3.559 10.205 -6.222 1.00 0.00 C ATOM 794 CD PRO A 74 -4.957 10.615 -5.870 1.00 0.00 C ATOM 0 HA PRO A 74 -3.999 8.361 -3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.356 10.701 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.177 9.046 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.028 11.016 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.561 9.356 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.016 11.667 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.648 10.467 -6.700 1.00 0.00 H new ATOM 802 N SER A 75 -4.649 11.302 -2.604 1.00 0.00 N ATOM 803 CA SER A 75 -4.600 12.183 -1.444 1.00 0.00 C ATOM 804 C SER A 75 -5.106 11.491 -0.174 1.00 0.00 C ATOM 805 O SER A 75 -4.833 11.943 0.938 1.00 0.00 O ATOM 806 CB SER A 75 -5.429 13.435 -1.716 1.00 0.00 C ATOM 807 OG SER A 75 -5.115 13.984 -2.986 1.00 0.00 O ATOM 0 H SER A 75 -5.264 11.630 -3.349 1.00 0.00 H new ATOM 0 HA SER A 75 -3.557 12.454 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.490 13.190 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.242 14.176 -0.939 1.00 0.00 H new ATOM 0 HG SER A 75 -5.659 14.784 -3.140 1.00 0.00 H new ATOM 813 N GLN A 76 -5.825 10.385 -0.341 1.00 0.00 N ATOM 814 CA GLN A 76 -6.363 9.641 0.792 1.00 0.00 C ATOM 815 C GLN A 76 -5.244 8.995 1.614 1.00 0.00 C ATOM 816 O GLN A 76 -5.440 8.648 2.778 1.00 0.00 O ATOM 817 CB GLN A 76 -7.340 8.567 0.303 1.00 0.00 C ATOM 818 CG GLN A 76 -8.549 9.126 -0.432 1.00 0.00 C ATOM 819 CD GLN A 76 -9.397 10.030 0.440 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.175 11.239 0.505 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.374 9.451 1.120 1.00 0.00 N ATOM 0 H GLN A 76 -6.049 9.984 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.893 10.344 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.810 7.881 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.683 7.985 1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.212 9.683 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.161 8.301 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.526 8.446 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.975 10.010 1.725 1.00 0.00 H new ATOM 830 N ALA A 77 -4.070 8.858 1.003 1.00 0.00 N ATOM 831 CA ALA A 77 -2.930 8.210 1.651 1.00 0.00 C ATOM 832 C ALA A 77 -1.945 9.239 2.197 1.00 0.00 C ATOM 833 O ALA A 77 -0.792 8.917 2.497 1.00 0.00 O ATOM 834 CB ALA A 77 -2.228 7.278 0.673 1.00 0.00 C ATOM 0 H ALA A 77 -3.882 9.188 0.056 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.308 7.627 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.381 6.802 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.927 6.513 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.873 7.850 -0.184 1.00 0.00 H new ATOM 840 N SER A 78 -2.414 10.472 2.338 1.00 0.00 N ATOM 841 CA SER A 78 -1.584 11.573 2.822 1.00 0.00 C ATOM 842 C SER A 78 -0.958 11.265 4.181 1.00 0.00 C ATOM 843 O SER A 78 0.192 11.624 4.436 1.00 0.00 O ATOM 844 CB SER A 78 -2.423 12.846 2.900 1.00 0.00 C ATOM 845 OG SER A 78 -3.683 12.584 3.499 1.00 0.00 O ATOM 0 H SER A 78 -3.375 10.739 2.122 1.00 0.00 H new ATOM 0 HA SER A 78 -0.765 11.713 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.891 13.602 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.569 13.253 1.899 1.00 0.00 H new ATOM 0 HG SER A 78 -4.334 12.354 2.804 1.00 0.00 H new ATOM 851 N LYS A 79 -1.713 10.585 5.041 1.00 0.00 N ATOM 852 CA LYS A 79 -1.243 10.246 6.383 1.00 0.00 C ATOM 853 C LYS A 79 0.027 9.399 6.331 1.00 0.00 C ATOM 854 O LYS A 79 0.924 9.560 7.161 1.00 0.00 O ATOM 855 CB LYS A 79 -2.333 9.504 7.156 1.00 0.00 C ATOM 856 CG LYS A 79 -3.605 10.313 7.353 1.00 0.00 C ATOM 857 CD LYS A 79 -3.355 11.567 8.177 1.00 0.00 C ATOM 858 CE LYS A 79 -4.628 12.384 8.350 1.00 0.00 C ATOM 859 NZ LYS A 79 -5.692 11.621 9.057 1.00 0.00 N ATOM 0 H LYS A 79 -2.656 10.257 4.832 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.009 11.178 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.578 8.583 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.942 9.217 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.013 10.592 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.355 9.696 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.964 11.289 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.593 12.177 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.402 13.292 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.995 12.694 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.433 11.349 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.281 10.766 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.107 12.214 9.804 1.00 0.00 H new ATOM 872 N VAL A 80 0.110 8.516 5.341 1.00 0.00 N ATOM 873 CA VAL A 80 1.284 7.670 5.174 1.00 0.00 C ATOM 874 C VAL A 80 2.490 8.528 4.814 1.00 0.00 C ATOM 875 O VAL A 80 3.524 8.475 5.479 1.00 0.00 O ATOM 876 CB VAL A 80 1.074 6.593 4.083 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.348 5.787 3.865 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.080 5.668 4.443 1.00 0.00 C ATOM 0 H VAL A 80 -0.620 8.369 4.644 1.00 0.00 H new ATOM 0 HA VAL A 80 1.456 7.157 6.120 1.00 0.00 H new ATOM 0 HB VAL A 80 0.825 7.106 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.176 5.036 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.151 6.454 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.630 5.294 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.206 4.921 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.134 5.170 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.996 6.250 4.539 1.00 0.00 H new ATOM 888 N CYS A 81 2.333 9.345 3.779 1.00 0.00 N ATOM 889 CA CYS A 81 3.397 10.234 3.336 1.00 0.00 C ATOM 890 C CYS A 81 3.834 11.150 4.474 1.00 0.00 C ATOM 891 O CYS A 81 5.024 11.378 4.684 1.00 0.00 O ATOM 892 CB CYS A 81 2.916 11.078 2.155 1.00 0.00 C ATOM 893 SG CYS A 81 2.144 10.112 0.821 1.00 0.00 S ATOM 0 H CYS A 81 1.476 9.409 3.230 1.00 0.00 H new ATOM 0 HA CYS A 81 4.247 9.627 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.200 11.816 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.763 11.629 1.747 1.00 0.00 H new ATOM 898 N GLN A 82 2.855 11.643 5.219 1.00 0.00 N ATOM 899 CA GLN A 82 3.100 12.569 6.313 1.00 0.00 C ATOM 900 C GLN A 82 3.973 11.937 7.396 1.00 0.00 C ATOM 901 O GLN A 82 4.874 12.583 7.927 1.00 0.00 O ATOM 902 CB GLN A 82 1.766 13.030 6.905 1.00 0.00 C ATOM 903 CG GLN A 82 1.893 14.090 7.984 1.00 0.00 C ATOM 904 CD GLN A 82 0.550 14.486 8.552 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.081 13.908 9.535 1.00 0.00 O ATOM 906 NE2 GLN A 82 -0.086 15.463 7.929 1.00 0.00 N ATOM 0 H GLN A 82 1.871 11.412 5.082 1.00 0.00 H new ATOM 0 HA GLN A 82 3.639 13.430 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.141 13.420 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.249 12.165 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.529 13.716 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.385 14.970 7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.340 15.914 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.002 15.766 8.258 1.00 0.00 H new ATOM 915 N ARG A 83 3.725 10.670 7.712 1.00 0.00 N ATOM 916 CA ARG A 83 4.493 9.999 8.759 1.00 0.00 C ATOM 917 C ARG A 83 5.832 9.486 8.247 1.00 0.00 C ATOM 918 O ARG A 83 6.645 8.972 9.014 1.00 0.00 O ATOM 919 CB ARG A 83 3.685 8.881 9.410 1.00 0.00 C ATOM 920 CG ARG A 83 2.634 9.387 10.394 1.00 0.00 C ATOM 921 CD ARG A 83 3.257 10.196 11.535 1.00 0.00 C ATOM 922 NE ARG A 83 3.781 11.494 11.085 1.00 0.00 N ATOM 923 CZ ARG A 83 4.935 12.021 11.503 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.663 11.383 12.408 1.00 0.00 N ATOM 925 NH2 ARG A 83 5.362 13.179 11.016 1.00 0.00 N ATOM 0 H ARG A 83 3.011 10.093 7.267 1.00 0.00 H new ATOM 0 HA ARG A 83 4.708 10.745 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.193 8.298 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.365 8.207 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.910 10.006 9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.087 8.540 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.509 10.359 12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.064 9.619 11.987 1.00 0.00 H new ATOM 0 HE ARG A 83 3.229 12.025 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.342 10.491 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.544 11.784 12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.808 13.674 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.244 13.574 11.341 1.00 0.00 H new ATOM 938 N LEU A 84 6.055 9.626 6.952 1.00 0.00 N ATOM 939 CA LEU A 84 7.378 9.416 6.382 1.00 0.00 C ATOM 940 C LEU A 84 8.079 10.761 6.210 1.00 0.00 C ATOM 941 O LEU A 84 9.122 10.860 5.561 1.00 0.00 O ATOM 942 CB LEU A 84 7.295 8.675 5.043 1.00 0.00 C ATOM 943 CG LEU A 84 7.283 7.143 5.139 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.037 6.640 5.851 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.383 6.527 3.754 1.00 0.00 C ATOM 0 H LEU A 84 5.338 9.884 6.274 1.00 0.00 H new ATOM 0 HA LEU A 84 7.956 8.794 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.392 8.997 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.142 8.977 4.427 1.00 0.00 H new ATOM 0 HG LEU A 84 8.149 6.839 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.061 5.551 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.005 7.049 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.151 6.958 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.373 5.440 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.536 6.852 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.311 6.846 3.280 1.00 0.00 H new ATOM 957 N ASN A 85 7.476 11.796 6.809 1.00 0.00 N ATOM 958 CA ASN A 85 8.000 13.161 6.767 1.00 0.00 C ATOM 959 C ASN A 85 8.017 13.682 5.332 1.00 0.00 C ATOM 960 O ASN A 85 8.895 14.448 4.933 1.00 0.00 O ATOM 961 CB ASN A 85 9.400 13.232 7.392 1.00 0.00 C ATOM 962 CG ASN A 85 9.874 14.655 7.631 1.00 0.00 C ATOM 963 OD1 ASN A 85 11.068 14.941 7.545 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.954 15.554 7.953 1.00 0.00 N ATOM 0 H ASN A 85 6.608 11.706 7.337 1.00 0.00 H new ATOM 0 HA ASN A 85 7.340 13.798 7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.396 12.693 8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.109 12.724 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.227 16.519 8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.973 15.280 8.015 1.00 0.00 H new ATOM 971 N CYS A 86 7.033 13.255 4.562 1.00 0.00 N ATOM 972 CA CYS A 86 6.892 13.687 3.188 1.00 0.00 C ATOM 973 C CYS A 86 5.673 14.581 3.054 1.00 0.00 C ATOM 974 O CYS A 86 4.855 14.668 3.970 1.00 0.00 O ATOM 975 CB CYS A 86 6.763 12.480 2.256 1.00 0.00 C ATOM 976 SG CYS A 86 8.192 11.350 2.297 1.00 0.00 S ATOM 0 H CYS A 86 6.313 12.602 4.872 1.00 0.00 H new ATOM 0 HA CYS A 86 7.782 14.248 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.865 11.923 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.625 12.836 1.235 1.00 0.00 H new ATOM 981 N GLY A 87 5.554 15.244 1.921 1.00 0.00 N ATOM 982 CA GLY A 87 4.432 16.120 1.697 1.00 0.00 C ATOM 983 C GLY A 87 3.226 15.386 1.152 1.00 0.00 C ATOM 984 O GLY A 87 2.865 14.311 1.636 1.00 0.00 O ATOM 0 H GLY A 87 6.218 15.191 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.164 16.609 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.722 16.906 0.999 1.00 0.00 H new ATOM 988 N ASP A 88 2.618 15.963 0.133 1.00 0.00 N ATOM 989 CA ASP A 88 1.399 15.426 -0.453 1.00 0.00 C ATOM 990 C ASP A 88 1.706 14.220 -1.337 1.00 0.00 C ATOM 991 O ASP A 88 2.815 14.092 -1.866 1.00 0.00 O ATOM 992 CB ASP A 88 0.704 16.516 -1.273 1.00 0.00 C ATOM 993 CG ASP A 88 0.623 17.832 -0.523 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.633 18.570 -0.496 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.440 18.129 0.059 1.00 0.00 O ATOM 0 H ASP A 88 2.953 16.817 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 88 0.739 15.098 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.244 16.665 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.301 16.186 -1.535 1.00 0.00 H new ATOM 1000 N PRO A 89 0.732 13.309 -1.489 1.00 0.00 N ATOM 1001 CA PRO A 89 0.872 12.131 -2.340 1.00 0.00 C ATOM 1002 C PRO A 89 0.757 12.488 -3.821 1.00 0.00 C ATOM 1003 O PRO A 89 -0.158 13.208 -4.233 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.289 11.217 -1.921 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.990 11.909 -0.796 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.584 13.353 -0.848 1.00 0.00 C ATOM 0 HA PRO A 89 1.849 11.662 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.969 11.047 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.080 10.241 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.071 11.808 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.715 11.465 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.292 13.950 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.532 13.793 0.148 1.00 0.00 H new ATOM 1014 N LEU A 90 1.690 11.980 -4.611 1.00 0.00 N ATOM 1015 CA LEU A 90 1.749 12.283 -6.034 1.00 0.00 C ATOM 1016 C LEU A 90 0.997 11.238 -6.850 1.00 0.00 C ATOM 1017 O LEU A 90 0.135 11.572 -7.663 1.00 0.00 O ATOM 1018 CB LEU A 90 3.209 12.354 -6.495 1.00 0.00 C ATOM 1019 CG LEU A 90 4.031 13.485 -5.873 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.488 13.388 -6.307 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.455 14.839 -6.261 1.00 0.00 C ATOM 0 H LEU A 90 2.424 11.350 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 90 1.271 13.249 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.693 11.405 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.227 12.466 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 90 3.984 13.385 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.057 14.200 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.901 12.432 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.550 13.462 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.052 15.631 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.472 14.944 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.427 14.912 -5.906 1.00 0.00 H new ATOM 1033 N SER A 91 1.327 9.977 -6.632 1.00 0.00 N ATOM 1034 CA SER A 91 0.710 8.895 -7.374 1.00 0.00 C ATOM 1035 C SER A 91 0.477 7.684 -6.477 1.00 0.00 C ATOM 1036 O SER A 91 1.243 7.433 -5.541 1.00 0.00 O ATOM 1037 CB SER A 91 1.584 8.520 -8.573 1.00 0.00 C ATOM 1038 OG SER A 91 2.944 8.384 -8.194 1.00 0.00 O ATOM 0 H SER A 91 2.020 9.678 -5.946 1.00 0.00 H new ATOM 0 HA SER A 91 -0.261 9.232 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.229 7.585 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.494 9.284 -9.345 1.00 0.00 H new ATOM 0 HG SER A 91 3.480 8.143 -8.978 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.592 6.956 -6.763 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.952 5.772 -5.996 1.00 0.00 C ATOM 1046 C LEU A 92 -1.554 4.739 -6.947 1.00 0.00 C ATOM 1047 O LEU A 92 -2.558 5.012 -7.607 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.971 6.147 -4.907 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.907 5.345 -3.595 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.967 5.840 -2.618 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.084 3.853 -3.836 1.00 0.00 C ATOM 0 H LEU A 92 -1.232 7.167 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.067 5.356 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.840 7.202 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.972 6.037 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.917 5.501 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.909 5.263 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.796 6.894 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.955 5.718 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.033 3.322 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.053 3.672 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.293 3.495 -4.495 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.932 3.573 -7.037 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.439 2.533 -7.914 1.00 0.00 C ATOM 1065 C GLY A 93 -0.480 1.366 -8.027 1.00 0.00 C ATOM 1066 O GLY A 93 0.069 0.927 -7.023 1.00 0.00 O ATOM 0 H GLY A 93 -0.087 3.327 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.399 2.178 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.620 2.951 -8.904 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.271 0.827 -9.236 1.00 0.00 N ATOM 1071 CA PRO A 94 0.694 -0.237 -9.466 1.00 0.00 C ATOM 1072 C PRO A 94 2.076 0.316 -9.815 1.00 0.00 C ATOM 1073 O PRO A 94 2.232 1.051 -10.795 1.00 0.00 O ATOM 1074 CB PRO A 94 0.086 -0.992 -10.650 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.751 0.012 -11.389 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.969 1.198 -10.474 1.00 0.00 C ATOM 0 HA PRO A 94 0.857 -0.861 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.864 -1.402 -11.294 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.520 -1.831 -10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.252 0.324 -12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.706 -0.427 -11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.561 2.113 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.030 1.375 -10.296 1.00 0.00 H new ATOM 1084 N PHE A 95 3.075 -0.029 -9.017 1.00 0.00 N ATOM 1085 CA PHE A 95 4.418 0.493 -9.222 1.00 0.00 C ATOM 1086 C PHE A 95 5.453 -0.605 -9.030 1.00 0.00 C ATOM 1087 O PHE A 95 5.571 -1.157 -7.936 1.00 0.00 O ATOM 1088 CB PHE A 95 4.696 1.631 -8.240 1.00 0.00 C ATOM 1089 CG PHE A 95 5.878 2.481 -8.609 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.766 3.460 -9.586 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.099 2.309 -7.976 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.849 4.249 -9.922 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.184 3.095 -8.310 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.060 4.065 -9.283 1.00 0.00 C ATOM 0 H PHE A 95 2.982 -0.665 -8.225 1.00 0.00 H new ATOM 0 HA PHE A 95 4.486 0.870 -10.242 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.812 2.265 -8.175 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.860 1.210 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.822 3.607 -10.089 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.203 1.552 -7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.749 5.009 -10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.130 2.950 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.908 4.680 -9.545 1.00 0.00 H new ATOM 1104 N LEU A 96 6.190 -0.910 -10.102 1.00 0.00 N ATOM 1105 CA LEU A 96 7.240 -1.933 -10.082 1.00 0.00 C ATOM 1106 C LEU A 96 6.619 -3.329 -9.972 1.00 0.00 C ATOM 1107 O LEU A 96 5.624 -3.535 -9.280 1.00 0.00 O ATOM 1108 CB LEU A 96 8.238 -1.664 -8.939 1.00 0.00 C ATOM 1109 CG LEU A 96 9.600 -2.363 -9.058 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.663 -1.581 -8.297 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.533 -3.790 -8.531 1.00 0.00 C ATOM 0 H LEU A 96 6.076 -0.455 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 96 7.795 -1.887 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.408 -0.589 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.776 -1.969 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 96 9.867 -2.399 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.624 -2.088 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.741 -0.576 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.386 -1.519 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.512 -4.260 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.239 -3.777 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.800 -4.356 -9.106 1.00 0.00 H new ATOM 1123 N LYS A 97 7.193 -4.290 -10.676 1.00 0.00 N ATOM 1124 CA LYS A 97 6.627 -5.626 -10.716 1.00 0.00 C ATOM 1125 C LYS A 97 7.583 -6.655 -10.127 1.00 0.00 C ATOM 1126 O LYS A 97 8.379 -7.260 -10.842 1.00 0.00 O ATOM 1127 CB LYS A 97 6.262 -6.006 -12.156 1.00 0.00 C ATOM 1128 CG LYS A 97 5.212 -5.096 -12.781 1.00 0.00 C ATOM 1129 CD LYS A 97 4.940 -5.465 -14.230 1.00 0.00 C ATOM 1130 CE LYS A 97 6.197 -5.369 -15.078 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.925 -5.667 -16.507 1.00 0.00 N ATOM 0 H LYS A 97 8.045 -4.171 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 97 5.723 -5.623 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.163 -5.981 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.895 -7.032 -12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.287 -5.161 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.548 -4.061 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.544 -6.479 -14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.175 -4.804 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.619 -4.368 -14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.945 -6.065 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.808 -5.591 -17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.546 -6.632 -16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.230 -4.987 -16.877 1.00 0.00 H new ATOM 1144 N THR A 98 7.510 -6.834 -8.817 1.00 0.00 N ATOM 1145 CA THR A 98 8.244 -7.900 -8.154 1.00 0.00 C ATOM 1146 C THR A 98 7.479 -9.206 -8.296 1.00 0.00 C ATOM 1147 O THR A 98 8.073 -10.283 -8.295 1.00 0.00 O ATOM 1148 CB THR A 98 8.452 -7.586 -6.661 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.264 -6.992 -6.121 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.642 -6.657 -6.447 1.00 0.00 C ATOM 0 H THR A 98 6.950 -6.254 -8.192 1.00 0.00 H new ATOM 0 HA THR A 98 9.223 -7.987 -8.625 1.00 0.00 H new ATOM 0 HB THR A 98 8.661 -8.522 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.508 -6.233 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.760 -6.456 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.546 -7.130 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.472 -5.720 -6.976 1.00 0.00 H new ATOM 1158 N TYR A 99 6.164 -9.088 -8.444 1.00 0.00 N ATOM 1159 CA TYR A 99 5.292 -10.230 -8.718 1.00 0.00 C ATOM 1160 C TYR A 99 5.545 -11.369 -7.730 1.00 0.00 C ATOM 1161 O TYR A 99 5.982 -12.460 -8.102 1.00 0.00 O ATOM 1162 CB TYR A 99 5.481 -10.709 -10.167 1.00 0.00 C ATOM 1163 CG TYR A 99 4.426 -11.690 -10.636 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.125 -11.268 -10.886 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.727 -13.034 -10.832 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.158 -12.153 -11.314 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.764 -13.925 -11.261 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.481 -13.480 -11.500 1.00 0.00 C ATOM 1169 OH TYR A 99 1.517 -14.364 -11.923 1.00 0.00 O ATOM 0 H TYR A 99 5.670 -8.198 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 99 4.258 -9.908 -8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.476 -9.843 -10.828 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.462 -11.175 -10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.867 -10.229 -10.742 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.731 -13.386 -10.645 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.152 -11.808 -11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.014 -14.965 -11.409 1.00 0.00 H new ATOM 0 HH TYR A 99 1.908 -15.259 -12.006 1.00 0.00 H new ATOM 1179 N THR A 100 5.292 -11.093 -6.463 1.00 0.00 N ATOM 1180 CA THR A 100 5.398 -12.103 -5.429 1.00 0.00 C ATOM 1181 C THR A 100 4.083 -12.194 -4.655 1.00 0.00 C ATOM 1182 O THR A 100 3.914 -11.546 -3.617 1.00 0.00 O ATOM 1183 CB THR A 100 6.558 -11.796 -4.458 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.772 -11.588 -5.196 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.758 -12.934 -3.465 1.00 0.00 C ATOM 0 H THR A 100 5.010 -10.172 -6.126 1.00 0.00 H new ATOM 0 HA THR A 100 5.606 -13.058 -5.911 1.00 0.00 H new ATOM 0 HB THR A 100 6.304 -10.892 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.503 -11.392 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.581 -12.690 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.846 -13.075 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.990 -13.852 -4.005 1.00 0.00 H new ATOM 1193 N PRO A 101 3.119 -12.981 -5.169 1.00 0.00 N ATOM 1194 CA PRO A 101 1.805 -13.168 -4.541 1.00 0.00 C ATOM 1195 C PRO A 101 1.884 -14.052 -3.298 1.00 0.00 C ATOM 1196 O PRO A 101 1.169 -15.043 -3.169 1.00 0.00 O ATOM 1197 CB PRO A 101 0.960 -13.848 -5.634 1.00 0.00 C ATOM 1198 CG PRO A 101 1.797 -13.822 -6.871 1.00 0.00 C ATOM 1199 CD PRO A 101 3.224 -13.749 -6.412 1.00 0.00 C ATOM 0 HA PRO A 101 1.384 -12.223 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.708 -14.871 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.020 -13.319 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.628 -14.714 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.544 -12.964 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.647 -14.739 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.861 -13.252 -7.144 1.00 0.00 H new ATOM 1207 N GLN A 102 2.766 -13.674 -2.391 1.00 0.00 N ATOM 1208 CA GLN A 102 2.979 -14.414 -1.160 1.00 0.00 C ATOM 1209 C GLN A 102 3.265 -13.442 -0.025 1.00 0.00 C ATOM 1210 O GLN A 102 2.632 -13.488 1.027 1.00 0.00 O ATOM 1211 CB GLN A 102 4.138 -15.398 -1.338 1.00 0.00 C ATOM 1212 CG GLN A 102 4.451 -16.221 -0.100 1.00 0.00 C ATOM 1213 CD GLN A 102 5.535 -17.248 -0.359 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.252 -18.384 -0.736 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.783 -16.852 -0.168 1.00 0.00 N ATOM 0 H GLN A 102 3.354 -12.846 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 102 2.082 -14.982 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.903 -16.074 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.030 -14.843 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.765 -15.558 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.546 -16.726 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.974 -15.900 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.554 -17.498 -0.334 1.00 0.00 H new ATOM 1224 N SER A 103 4.217 -12.548 -0.257 1.00 0.00 N ATOM 1225 CA SER A 103 4.526 -11.496 0.697 1.00 0.00 C ATOM 1226 C SER A 103 3.513 -10.362 0.577 1.00 0.00 C ATOM 1227 O SER A 103 3.503 -9.429 1.382 1.00 0.00 O ATOM 1228 CB SER A 103 5.938 -10.965 0.448 1.00 0.00 C ATOM 1229 OG SER A 103 6.895 -12.007 0.538 1.00 0.00 O ATOM 0 H SER A 103 4.789 -12.532 -1.101 1.00 0.00 H new ATOM 0 HA SER A 103 4.474 -11.908 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.988 -10.504 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.172 -10.188 1.175 1.00 0.00 H new ATOM 0 HG SER A 103 7.790 -11.644 0.373 1.00 0.00 H new ATOM 1235 N SER A 104 2.656 -10.454 -0.430 1.00 0.00 N ATOM 1236 CA SER A 104 1.660 -9.432 -0.678 1.00 0.00 C ATOM 1237 C SER A 104 0.267 -9.927 -0.290 1.00 0.00 C ATOM 1238 O SER A 104 -0.061 -11.105 -0.462 1.00 0.00 O ATOM 1239 CB SER A 104 1.703 -9.023 -2.153 1.00 0.00 C ATOM 1240 OG SER A 104 1.629 -10.159 -2.998 1.00 0.00 O ATOM 0 H SER A 104 2.634 -11.232 -1.089 1.00 0.00 H new ATOM 0 HA SER A 104 1.884 -8.560 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.875 -8.349 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.623 -8.474 -2.355 1.00 0.00 H new ATOM 0 HG SER A 104 2.528 -10.526 -3.133 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.538 -9.028 0.255 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.900 -9.348 0.651 1.00 0.00 C ATOM 1248 C ILE A 105 -2.898 -8.597 -0.220 1.00 0.00 C ATOM 1249 O ILE A 105 -2.568 -7.574 -0.826 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.170 -8.995 2.134 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.894 -7.507 2.381 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.330 -9.868 3.061 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -2.162 -7.051 3.797 1.00 0.00 C ATOM 0 H ILE A 105 -0.267 -8.061 0.434 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.022 -10.423 0.521 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.219 -9.192 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.853 -7.297 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.508 -6.918 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.537 -9.602 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.580 -10.916 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.272 -9.710 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.941 -5.987 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.209 -7.226 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.529 -7.611 4.485 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.115 -9.113 -0.284 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.190 -8.456 -1.010 1.00 0.00 C ATOM 1267 C ILE A 106 -6.312 -8.100 -0.043 1.00 0.00 C ATOM 1268 O ILE A 106 -6.880 -8.972 0.615 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.737 -9.329 -2.166 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.710 -9.410 -3.294 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.059 -8.777 -2.686 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.126 -10.311 -4.437 1.00 0.00 C ATOM 0 H ILE A 106 -4.384 -9.990 0.161 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.784 -7.550 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.919 -10.333 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.530 -8.407 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.765 -9.769 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.423 -9.408 -3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.791 -8.766 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.910 -7.762 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.346 -10.317 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.277 -11.324 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.055 -9.942 -4.872 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.608 -6.820 0.059 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.610 -6.343 1.001 1.00 0.00 C ATOM 1286 C CYS A 107 -8.965 -6.181 0.328 1.00 0.00 C ATOM 1287 O CYS A 107 -9.046 -5.868 -0.858 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.163 -5.018 1.619 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.619 -5.141 2.576 1.00 0.00 S ATOM 0 H CYS A 107 -6.170 -6.087 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.714 -7.087 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.030 -4.283 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.954 -4.645 2.269 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.025 -6.401 1.088 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.380 -6.244 0.582 1.00 0.00 C ATOM 1296 C TYR A 108 -12.155 -5.304 1.497 1.00 0.00 C ATOM 1297 O TYR A 108 -11.960 -5.324 2.714 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.095 -7.599 0.508 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.388 -8.635 -0.345 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.476 -8.601 -1.732 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.638 -9.649 0.239 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.838 -9.547 -2.512 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.996 -10.598 -0.533 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.099 -10.543 -1.909 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.458 -11.485 -2.683 1.00 0.00 O ATOM 0 H TYR A 108 -9.973 -6.691 2.065 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.331 -5.826 -0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.207 -7.993 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.099 -7.445 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.053 -7.822 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.556 -9.696 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.918 -9.506 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.417 -11.379 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.981 -12.115 -2.103 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.023 -4.485 0.922 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.818 -3.578 1.725 1.00 0.00 C ATOM 1317 C GLY A 109 -13.500 -2.118 1.470 1.00 0.00 C ATOM 1318 O GLY A 109 -13.227 -1.719 0.337 1.00 0.00 O ATOM 0 H GLY A 109 -13.191 -4.432 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.874 -3.754 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.655 -3.800 2.780 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.536 -1.324 2.533 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.343 0.118 2.438 1.00 0.00 C ATOM 1324 C GLN A 110 -11.894 0.471 2.108 1.00 0.00 C ATOM 1325 O GLN A 110 -10.962 0.007 2.771 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.763 0.784 3.755 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.465 2.275 3.825 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.138 3.067 2.722 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.212 2.710 2.244 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -13.502 4.151 2.308 1.00 0.00 N ATOM 0 H GLN A 110 -13.699 -1.660 3.482 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.966 0.490 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.832 0.632 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.255 0.284 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.791 2.660 4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.387 2.427 3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.612 4.413 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.902 4.725 1.566 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.730 1.304 1.081 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.419 1.791 0.658 1.00 0.00 C ATOM 1341 C LEU A 111 -9.674 2.427 1.825 1.00 0.00 C ATOM 1342 O LEU A 111 -10.075 3.476 2.333 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.583 2.811 -0.478 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.296 3.507 -0.950 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.350 2.518 -1.622 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.629 4.655 -1.890 1.00 0.00 C ATOM 0 H LEU A 111 -12.503 1.660 0.519 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.835 0.943 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.033 2.305 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.288 3.576 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.788 3.911 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.449 3.039 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.082 1.733 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.842 2.074 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.708 5.138 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.164 4.271 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.255 5.381 -1.371 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.602 1.777 2.252 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.807 2.299 3.343 1.00 0.00 C ATOM 1360 C GLY A 112 -7.856 1.418 4.572 1.00 0.00 C ATOM 1361 O GLY A 112 -7.057 1.584 5.494 1.00 0.00 O ATOM 0 H GLY A 112 -8.268 0.896 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.772 2.403 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.162 3.297 3.601 1.00 0.00 H new ATOM 1365 N SER A 113 -8.799 0.486 4.594 1.00 0.00 N ATOM 1366 CA SER A 113 -8.927 -0.434 5.710 1.00 0.00 C ATOM 1367 C SER A 113 -8.135 -1.707 5.444 1.00 0.00 C ATOM 1368 O SER A 113 -8.347 -2.389 4.440 1.00 0.00 O ATOM 1369 CB SER A 113 -10.399 -0.773 5.966 1.00 0.00 C ATOM 1370 OG SER A 113 -10.549 -1.593 7.115 1.00 0.00 O ATOM 0 H SER A 113 -9.485 0.349 3.851 1.00 0.00 H new ATOM 0 HA SER A 113 -8.523 0.051 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.968 0.147 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.813 -1.283 5.096 1.00 0.00 H new ATOM 0 HG SER A 113 -11.499 -1.791 7.254 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.213 -2.006 6.346 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.404 -3.214 6.271 1.00 0.00 C ATOM 1378 C PHE A 114 -6.874 -4.204 7.329 1.00 0.00 C ATOM 1379 O PHE A 114 -6.130 -5.086 7.755 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.922 -2.883 6.489 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.335 -1.991 5.429 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.395 -0.612 5.552 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.722 -2.532 4.311 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.856 0.209 4.580 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.180 -1.715 3.338 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.247 -0.344 3.472 1.00 0.00 C ATOM 0 H PHE A 114 -7.004 -1.417 7.152 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.517 -3.655 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.806 -2.402 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.353 -3.812 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.869 -0.174 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.667 -3.605 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.911 1.282 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.704 -2.150 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.824 0.295 2.711 1.00 0.00 H new ATOM 1396 N SER A 115 -8.119 -4.042 7.757 1.00 0.00 N ATOM 1397 CA SER A 115 -8.685 -4.888 8.795 1.00 0.00 C ATOM 1398 C SER A 115 -9.449 -6.059 8.180 1.00 0.00 C ATOM 1399 O SER A 115 -10.050 -6.868 8.888 1.00 0.00 O ATOM 1400 CB SER A 115 -9.600 -4.059 9.695 1.00 0.00 C ATOM 1401 OG SER A 115 -8.923 -2.897 10.154 1.00 0.00 O ATOM 0 H SER A 115 -8.756 -3.330 7.399 1.00 0.00 H new ATOM 0 HA SER A 115 -7.874 -5.297 9.398 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.497 -3.772 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.924 -4.658 10.546 1.00 0.00 H new ATOM 0 HG SER A 115 -9.308 -2.104 9.726 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.417 -6.138 6.858 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.055 -7.227 6.133 1.00 0.00 C ATOM 1409 C ASN A 116 -9.240 -7.546 4.885 1.00 0.00 C ATOM 1410 O ASN A 116 -9.581 -7.135 3.774 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.500 -6.864 5.761 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.263 -8.037 5.166 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.861 -8.835 5.886 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.270 -8.140 3.847 1.00 0.00 N ATOM 0 H ASN A 116 -8.952 -5.454 6.261 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.091 -8.109 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.022 -6.509 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.491 -6.041 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.782 -8.899 3.397 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.763 -7.461 3.280 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.142 -8.256 5.081 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.245 -8.587 3.987 1.00 0.00 C ATOM 1423 C CYS A 117 -6.923 -10.072 3.999 1.00 0.00 C ATOM 1424 O CYS A 117 -6.783 -10.679 5.063 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.953 -7.770 4.082 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.212 -5.981 4.327 1.00 0.00 S ATOM 0 H CYS A 117 -7.850 -8.615 5.990 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.744 -8.341 3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.354 -8.155 4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.374 -7.920 3.171 1.00 0.00 H new ATOM 1431 N SER A 118 -6.807 -10.650 2.818 1.00 0.00 N ATOM 1432 CA SER A 118 -6.540 -12.068 2.681 1.00 0.00 C ATOM 1433 C SER A 118 -5.231 -12.286 1.929 1.00 0.00 C ATOM 1434 O SER A 118 -4.738 -11.382 1.245 1.00 0.00 O ATOM 1435 CB SER A 118 -7.699 -12.736 1.936 1.00 0.00 C ATOM 1436 OG SER A 118 -8.948 -12.379 2.514 1.00 0.00 O ATOM 0 H SER A 118 -6.895 -10.152 1.932 1.00 0.00 H new ATOM 0 HA SER A 118 -6.447 -12.514 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.681 -12.439 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.578 -13.819 1.963 1.00 0.00 H new ATOM 0 HG SER A 118 -9.673 -12.816 2.021 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.663 -13.474 2.072 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.454 -13.835 1.348 1.00 0.00 C ATOM 1444 C HIS A 119 -3.773 -13.912 -0.140 1.00 0.00 C ATOM 1445 O HIS A 119 -4.811 -14.451 -0.516 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.917 -15.183 1.851 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.532 -15.506 1.376 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.427 -15.438 2.195 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -1.076 -15.912 0.164 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.647 -15.785 1.514 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.282 -16.077 0.279 1.00 0.00 N ATOM 0 H HIS A 119 -5.021 -14.206 2.685 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.687 -13.079 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.924 -15.181 2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.594 -15.974 1.529 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -0.438 -15.162 3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.669 -16.075 -0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.655 -15.824 1.901 1.00 0.00 H new ATOM 1459 N SER A 120 -2.891 -13.357 -0.968 1.00 0.00 N ATOM 1460 CA SER A 120 -3.104 -13.298 -2.409 1.00 0.00 C ATOM 1461 C SER A 120 -3.307 -14.694 -3.002 1.00 0.00 C ATOM 1462 O SER A 120 -2.347 -15.420 -3.257 1.00 0.00 O ATOM 1463 CB SER A 120 -1.915 -12.606 -3.085 1.00 0.00 C ATOM 1464 OG SER A 120 -2.091 -12.531 -4.490 1.00 0.00 O ATOM 0 H SER A 120 -2.014 -12.938 -0.660 1.00 0.00 H new ATOM 0 HA SER A 120 -4.011 -12.722 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.797 -11.602 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.999 -13.152 -2.860 1.00 0.00 H new ATOM 0 HG SER A 120 -1.404 -11.948 -4.875 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.564 -15.065 -3.201 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.903 -16.339 -3.815 1.00 0.00 C ATOM 1472 C ARG A 121 -5.508 -16.091 -5.202 1.00 0.00 C ATOM 1473 O ARG A 121 -6.211 -16.931 -5.761 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.877 -17.107 -2.905 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.262 -18.489 -3.419 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.053 -19.400 -3.580 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.333 -20.500 -4.500 1.00 0.00 N ATOM 1478 CZ ARG A 121 -5.072 -21.775 -4.240 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.586 -22.131 -3.061 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.309 -22.699 -5.153 1.00 0.00 N ATOM 0 H ARG A 121 -5.371 -14.496 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.006 -16.947 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.427 -17.212 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.783 -16.514 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.971 -18.947 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.770 -18.389 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.206 -18.821 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.766 -19.801 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.756 -20.273 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.410 -21.424 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.387 -23.112 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.693 -22.433 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.108 -23.678 -4.952 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.214 -14.926 -5.762 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.772 -14.549 -7.053 1.00 0.00 C ATOM 1495 C ASN A 122 -4.801 -14.907 -8.176 1.00 0.00 C ATOM 1496 O ASN A 122 -3.668 -15.315 -7.910 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.109 -13.052 -7.091 1.00 0.00 C ATOM 1498 CG ASN A 122 -7.195 -12.729 -8.104 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -6.921 -12.500 -9.285 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -8.438 -12.700 -7.647 1.00 0.00 N ATOM 0 H ASN A 122 -4.596 -14.229 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.697 -15.107 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.432 -12.730 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.210 -12.486 -7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.209 -12.483 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -8.624 -12.895 -6.663 1.00 0.00 H new ATOM 1507 N ASP A 123 -5.239 -14.756 -9.417 1.00 0.00 N ATOM 1508 CA ASP A 123 -4.433 -15.152 -10.569 1.00 0.00 C ATOM 1509 C ASP A 123 -3.187 -14.290 -10.695 1.00 0.00 C ATOM 1510 O ASP A 123 -2.063 -14.791 -10.646 1.00 0.00 O ATOM 1511 CB ASP A 123 -5.246 -15.060 -11.862 1.00 0.00 C ATOM 1512 CG ASP A 123 -6.448 -15.978 -11.858 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -6.260 -17.207 -11.888 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -7.590 -15.469 -11.827 1.00 0.00 O ATOM 0 H ASP A 123 -6.149 -14.362 -9.655 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.129 -16.187 -10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.579 -14.032 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -4.606 -15.309 -12.708 1.00 0.00 H new ATOM 1519 N MET A 124 -3.391 -12.993 -10.847 1.00 0.00 N ATOM 1520 CA MET A 124 -2.283 -12.070 -11.031 1.00 0.00 C ATOM 1521 C MET A 124 -2.236 -11.063 -9.892 1.00 0.00 C ATOM 1522 O MET A 124 -3.229 -10.851 -9.199 1.00 0.00 O ATOM 1523 CB MET A 124 -2.387 -11.340 -12.376 1.00 0.00 C ATOM 1524 CG MET A 124 -3.586 -10.410 -12.489 1.00 0.00 C ATOM 1525 SD MET A 124 -3.621 -9.508 -14.050 1.00 0.00 S ATOM 1526 CE MET A 124 -3.689 -10.863 -15.223 1.00 0.00 C ATOM 0 H MET A 124 -4.312 -12.555 -10.847 1.00 0.00 H new ATOM 0 HA MET A 124 -1.361 -12.651 -11.029 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.477 -10.762 -12.534 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.438 -12.079 -13.175 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.503 -10.991 -12.389 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.568 -9.699 -11.663 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.049 -10.495 -16.184 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.693 -11.287 -15.347 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.367 -11.632 -14.852 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.082 -10.444 -9.710 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.894 -9.482 -8.639 1.00 0.00 C ATOM 1538 C CYS A 125 0.066 -8.384 -9.082 1.00 0.00 C ATOM 1539 O CYS A 125 0.953 -8.617 -9.903 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.365 -10.182 -7.380 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.018 -9.065 -5.983 1.00 0.00 S ATOM 0 H CYS A 125 -0.258 -10.592 -10.293 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.856 -9.028 -8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.094 -10.927 -7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.549 -10.719 -7.635 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.131 -7.191 -8.549 1.00 0.00 N ATOM 1547 CA HIS A 126 0.722 -6.051 -8.856 1.00 0.00 C ATOM 1548 C HIS A 126 1.131 -5.364 -7.564 1.00 0.00 C ATOM 1549 O HIS A 126 0.328 -5.253 -6.641 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.004 -5.058 -9.772 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.179 -5.552 -11.176 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.410 -5.826 -11.739 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.737 -5.809 -12.137 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.241 -6.233 -12.984 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.053 -6.231 -13.250 1.00 0.00 N ATOM 0 H HIS A 126 -0.884 -6.983 -7.893 1.00 0.00 H new ATOM 0 HA HIS A 126 1.610 -6.407 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.984 -4.837 -9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.553 -4.121 -9.792 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.309 -5.729 -11.267 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.808 -5.702 -12.046 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.027 -6.519 -13.668 1.00 0.00 H new ATOM 1563 N SER A 127 2.377 -4.929 -7.496 1.00 0.00 N ATOM 1564 CA SER A 127 2.894 -4.276 -6.307 1.00 0.00 C ATOM 1565 C SER A 127 2.291 -2.879 -6.154 1.00 0.00 C ATOM 1566 O SER A 127 2.355 -2.059 -7.079 1.00 0.00 O ATOM 1567 CB SER A 127 4.415 -4.194 -6.403 1.00 0.00 C ATOM 1568 OG SER A 127 4.964 -5.462 -6.734 1.00 0.00 O ATOM 0 H SER A 127 3.053 -5.017 -8.255 1.00 0.00 H new ATOM 0 HA SER A 127 2.617 -4.858 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.698 -3.461 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.827 -3.850 -5.454 1.00 0.00 H new ATOM 0 HG SER A 127 5.819 -5.580 -6.270 1.00 0.00 H new ATOM 1574 N LEU A 128 1.695 -2.617 -4.996 1.00 0.00 N ATOM 1575 CA LEU A 128 1.076 -1.326 -4.738 1.00 0.00 C ATOM 1576 C LEU A 128 2.143 -0.265 -4.520 1.00 0.00 C ATOM 1577 O LEU A 128 2.949 -0.363 -3.594 1.00 0.00 O ATOM 1578 CB LEU A 128 0.151 -1.395 -3.521 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.630 -0.115 -3.224 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.663 0.148 -4.309 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.298 -0.200 -1.863 1.00 0.00 C ATOM 0 H LEU A 128 1.628 -3.281 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 128 0.478 -1.058 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.559 -2.209 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.748 -1.649 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 128 0.073 0.718 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.208 1.063 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.161 0.257 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.361 -0.688 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.849 0.721 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.986 -1.045 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.539 -0.337 -1.093 1.00 0.00 H new ATOM 1593 N GLY A 129 2.138 0.738 -5.377 1.00 0.00 N ATOM 1594 CA GLY A 129 3.130 1.781 -5.311 1.00 0.00 C ATOM 1595 C GLY A 129 2.556 3.105 -4.876 1.00 0.00 C ATOM 1596 O GLY A 129 1.470 3.498 -5.314 1.00 0.00 O ATOM 0 H GLY A 129 1.455 0.848 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.916 1.485 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.596 1.896 -6.290 1.00 0.00 H new ATOM 1600 N LEU A 130 3.288 3.789 -4.017 1.00 0.00 N ATOM 1601 CA LEU A 130 2.908 5.111 -3.560 1.00 0.00 C ATOM 1602 C LEU A 130 4.112 6.044 -3.648 1.00 0.00 C ATOM 1603 O LEU A 130 5.201 5.713 -3.176 1.00 0.00 O ATOM 1604 CB LEU A 130 2.383 5.042 -2.120 1.00 0.00 C ATOM 1605 CG LEU A 130 2.014 6.384 -1.475 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.851 7.044 -2.205 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.674 6.185 -0.004 1.00 0.00 C ATOM 0 H LEU A 130 4.161 3.444 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 130 2.112 5.499 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.502 4.400 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.139 4.559 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 130 2.877 7.046 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.612 7.993 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.128 7.222 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.020 6.390 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.414 7.145 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.829 5.502 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.536 5.765 0.515 1.00 0.00 H new ATOM 1619 N THR A 131 3.924 7.183 -4.295 1.00 0.00 N ATOM 1620 CA THR A 131 4.972 8.186 -4.404 1.00 0.00 C ATOM 1621 C THR A 131 4.543 9.466 -3.700 1.00 0.00 C ATOM 1622 O THR A 131 3.518 10.059 -4.048 1.00 0.00 O ATOM 1623 CB THR A 131 5.300 8.490 -5.880 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.699 7.282 -6.546 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.405 9.531 -6.000 1.00 0.00 C ATOM 0 H THR A 131 3.050 7.437 -4.755 1.00 0.00 H new ATOM 0 HA THR A 131 5.869 7.790 -3.927 1.00 0.00 H new ATOM 0 HB THR A 131 4.403 8.893 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.905 7.478 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.612 9.722 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.087 10.456 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.308 9.161 -5.514 1.00 0.00 H new ATOM 1633 N CYS A 132 5.308 9.881 -2.700 1.00 0.00 N ATOM 1634 CA CYS A 132 4.981 11.080 -1.942 1.00 0.00 C ATOM 1635 C CYS A 132 6.067 12.134 -2.127 1.00 0.00 C ATOM 1636 O CYS A 132 7.212 11.803 -2.436 1.00 0.00 O ATOM 1637 CB CYS A 132 4.822 10.729 -0.460 1.00 0.00 C ATOM 1638 SG CYS A 132 3.726 9.305 -0.156 1.00 0.00 S ATOM 0 H CYS A 132 6.158 9.406 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 132 4.040 11.488 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.805 10.516 -0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.430 11.597 0.070 1.00 0.00 H new ATOM 1643 N LEU A 133 5.699 13.405 -1.966 1.00 0.00 N ATOM 1644 CA LEU A 133 6.647 14.503 -2.126 1.00 0.00 C ATOM 1645 C LEU A 133 7.700 14.507 -1.024 1.00 0.00 C ATOM 1646 O LEU A 133 7.510 15.117 0.032 1.00 0.00 O ATOM 1647 CB LEU A 133 5.920 15.852 -2.143 1.00 0.00 C ATOM 1648 CG LEU A 133 5.271 16.235 -3.473 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.416 17.481 -3.306 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.334 16.467 -4.538 1.00 0.00 C ATOM 0 H LEU A 133 4.752 13.698 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 133 7.150 14.351 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.148 15.839 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.631 16.631 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 133 4.632 15.412 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.961 17.741 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.634 17.290 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.040 18.307 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.854 16.739 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.996 17.274 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.915 15.555 -4.677 1.00 0.00 H new ATOM 1662 N GLU A 134 8.799 13.810 -1.265 1.00 0.00 N ATOM 1663 CA GLU A 134 9.947 13.869 -0.375 1.00 0.00 C ATOM 1664 C GLU A 134 10.888 14.978 -0.831 1.00 0.00 C ATOM 1665 O GLU A 134 11.414 14.898 -1.963 1.00 0.00 O ATOM 1666 CB GLU A 134 10.685 12.522 -0.301 1.00 0.00 C ATOM 1667 CG GLU A 134 11.025 11.916 -1.652 1.00 0.00 C ATOM 1668 CD GLU A 134 12.118 10.871 -1.561 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.822 9.718 -1.188 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.285 11.202 -1.869 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.073 15.948 -0.069 1.00 0.00 O ATOM 0 H GLU A 134 8.920 13.196 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 134 9.589 14.089 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.607 12.657 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.070 11.815 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.130 11.464 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.339 12.707 -2.333 1.00 0.00 H new TER 1678 GLU A 134