USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 908 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 58 LYS NZ :NH3+ -158:sc= 0.837 (180deg=0) USER MOD Set 1.2: A 75 THR OG1 : rot -150:sc= 0.737 USER MOD Single : A 1 ARG N :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 5 GLN : amide:sc= 1.08 K(o=1.1,f=-6!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.146 (180deg=-0.149) USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 0.0803 (180deg=-0.0666) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.59 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 37 THR OG1 : rot 58:sc= 0.734 USER MOD Single : A 38 MET CE :methyl 146:sc= 0 (180deg=-0.23) USER MOD Single : A 40 GLN : amide:sc=-0.00713 X(o=-0.0071,f=-0.21) USER MOD Single : A 43 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.11) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 90:sc= 0.85 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.533 USER MOD Single : A 56 GLN : amide:sc= 0.834 K(o=0.83,f=-0.087) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.896 K(o=0.9,f=-6.5!) USER MOD Single : A 70 SER OG : rot -90:sc= 0.26 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -170:sc= -0.377 USER MOD Single : A 77 THR OG1 : rot -170:sc= 0.0353 USER MOD Single : A 80 HIS : no HE2:sc= -0.339 K(o=-0.34,f=-1.2) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -60:sc= 0.65 USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 2.57 (180deg=2.57) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.12) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.791 0.905 -7.651 1.00 0.00 N ATOM 2 CA ARG A 1 -5.405 1.169 -7.173 1.00 0.00 C ATOM 3 C ARG A 1 -5.057 0.446 -5.870 1.00 0.00 C ATOM 4 O ARG A 1 -4.011 -0.194 -5.804 1.00 0.00 O ATOM 5 CB ARG A 1 -5.077 2.681 -7.130 1.00 0.00 C ATOM 6 CG ARG A 1 -3.606 2.995 -6.773 1.00 0.00 C ATOM 7 CD ARG A 1 -3.409 3.348 -5.288 1.00 0.00 C ATOM 8 NE ARG A 1 -1.986 3.475 -4.926 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.171 4.488 -5.146 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.527 5.557 -5.799 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.040 4.427 -4.685 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.952 1.412 -8.545 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.917 -0.116 -7.804 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.473 1.235 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.746 0.730 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.306 3.120 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.728 3.163 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -2.986 2.134 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -3.258 3.826 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -3.922 4.284 -5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.871 2.579 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.578 2.675 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.475 5.638 -6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.858 6.313 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.346 3.606 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.686 5.200 -4.844 1.00 0.00 H new ATOM 27 N ALA A 2 -5.861 0.581 -4.812 1.00 0.00 N ATOM 28 CA ALA A 2 -5.492 0.076 -3.480 1.00 0.00 C ATOM 29 C ALA A 2 -5.396 -1.461 -3.415 1.00 0.00 C ATOM 30 O ALA A 2 -4.449 -2.006 -2.853 1.00 0.00 O ATOM 31 CB ALA A 2 -6.498 0.620 -2.457 1.00 0.00 C ATOM 0 H ALA A 2 -6.773 1.036 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.489 0.432 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.239 0.255 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.469 1.710 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.501 0.282 -2.718 1.00 0.00 H new ATOM 37 N ASP A 3 -6.356 -2.148 -4.037 1.00 0.00 N ATOM 38 CA ASP A 3 -6.364 -3.619 -4.098 1.00 0.00 C ATOM 39 C ASP A 3 -5.174 -4.182 -4.904 1.00 0.00 C ATOM 40 O ASP A 3 -4.533 -5.143 -4.478 1.00 0.00 O ATOM 41 CB ASP A 3 -7.701 -4.091 -4.683 1.00 0.00 C ATOM 42 CG ASP A 3 -7.863 -5.618 -4.584 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.952 -6.142 -3.447 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.944 -6.292 -5.639 1.00 0.00 O ATOM 0 H ASP A 3 -7.146 -1.709 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.252 -4.003 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.521 -3.604 -4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.769 -3.786 -5.727 1.00 0.00 H new ATOM 49 N GLU A 4 -4.835 -3.530 -6.021 1.00 0.00 N ATOM 50 CA GLU A 4 -3.679 -3.894 -6.848 1.00 0.00 C ATOM 51 C GLU A 4 -2.400 -3.685 -6.051 1.00 0.00 C ATOM 52 O GLU A 4 -1.540 -4.559 -5.974 1.00 0.00 O ATOM 53 CB GLU A 4 -3.657 -3.031 -8.122 1.00 0.00 C ATOM 54 CG GLU A 4 -4.829 -3.254 -9.096 1.00 0.00 C ATOM 55 CD GLU A 4 -6.195 -2.716 -8.613 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.236 -1.785 -7.771 1.00 0.00 O ATOM 57 OE2 GLU A 4 -7.242 -3.195 -9.109 1.00 0.00 O ATOM 0 H GLU A 4 -5.358 -2.731 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.753 -4.943 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.647 -1.981 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.725 -3.223 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.585 -2.781 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.924 -4.323 -9.287 1.00 0.00 H new ATOM 64 N GLN A 5 -2.313 -2.542 -5.374 1.00 0.00 N ATOM 65 CA GLN A 5 -1.149 -2.218 -4.576 1.00 0.00 C ATOM 66 C GLN A 5 -0.976 -3.228 -3.431 1.00 0.00 C ATOM 67 O GLN A 5 0.128 -3.720 -3.205 1.00 0.00 O ATOM 68 CB GLN A 5 -1.207 -0.771 -4.070 1.00 0.00 C ATOM 69 CG GLN A 5 0.196 -0.307 -3.660 1.00 0.00 C ATOM 70 CD GLN A 5 0.143 0.908 -2.753 1.00 0.00 C ATOM 71 OE1 GLN A 5 -0.137 2.025 -3.173 1.00 0.00 O ATOM 72 NE2 GLN A 5 0.396 0.724 -1.477 1.00 0.00 N ATOM 0 H GLN A 5 -3.041 -1.827 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.266 -2.293 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.602 -0.119 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.886 -0.700 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.713 -1.120 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.776 -0.070 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.629 -0.207 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.360 1.513 -0.831 1.00 0.00 H new ATOM 81 N ALA A 6 -2.068 -3.618 -2.765 1.00 0.00 N ATOM 82 CA ALA A 6 -2.035 -4.643 -1.722 1.00 0.00 C ATOM 83 C ALA A 6 -1.542 -5.994 -2.274 1.00 0.00 C ATOM 84 O ALA A 6 -0.601 -6.584 -1.730 1.00 0.00 O ATOM 85 CB ALA A 6 -3.425 -4.752 -1.082 1.00 0.00 C ATOM 0 H ALA A 6 -2.997 -3.232 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.320 -4.352 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.408 -5.514 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.700 -3.792 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.155 -5.027 -1.843 1.00 0.00 H new ATOM 91 N PHE A 7 -2.084 -6.447 -3.410 1.00 0.00 N ATOM 92 CA PHE A 7 -1.624 -7.681 -4.052 1.00 0.00 C ATOM 93 C PHE A 7 -0.272 -7.540 -4.782 1.00 0.00 C ATOM 94 O PHE A 7 0.342 -8.557 -5.120 1.00 0.00 O ATOM 95 CB PHE A 7 -2.760 -8.320 -4.876 1.00 0.00 C ATOM 96 CG PHE A 7 -3.150 -7.759 -6.236 1.00 0.00 C ATOM 97 CD1 PHE A 7 -2.198 -7.587 -7.258 1.00 0.00 C ATOM 98 CD2 PHE A 7 -4.512 -7.539 -6.530 1.00 0.00 C ATOM 99 CE1 PHE A 7 -2.591 -7.135 -8.523 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.913 -7.132 -7.816 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.948 -6.923 -8.816 1.00 0.00 C ATOM 0 H PHE A 7 -2.842 -5.976 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.383 -8.397 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.497 -9.367 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.655 -8.302 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.158 -7.805 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.255 -7.684 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.844 -6.948 -9.280 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.960 -6.981 -8.034 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.248 -6.602 -9.803 1.00 0.00 H new ATOM 111 N LEU A 8 0.251 -6.311 -4.934 1.00 0.00 N ATOM 112 CA LEU A 8 1.608 -6.152 -5.473 1.00 0.00 C ATOM 113 C LEU A 8 2.634 -6.037 -4.335 1.00 0.00 C ATOM 114 O LEU A 8 3.802 -6.344 -4.551 1.00 0.00 O ATOM 115 CB LEU A 8 1.644 -4.927 -6.397 1.00 0.00 C ATOM 116 CG LEU A 8 1.179 -5.318 -7.809 1.00 0.00 C ATOM 117 CD1 LEU A 8 0.645 -4.110 -8.573 1.00 0.00 C ATOM 118 CD2 LEU A 8 2.353 -5.920 -8.587 1.00 0.00 C ATOM 0 H LEU A 8 -0.228 -5.441 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 8 1.876 -7.033 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.002 -4.142 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.655 -4.522 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 8 0.376 -6.048 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.325 -4.421 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.202 -3.685 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.431 -3.360 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.022 -6.197 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.156 -5.186 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.718 -6.806 -8.067 1.00 0.00 H new ATOM 130 N VAL A 9 2.199 -5.668 -3.120 1.00 0.00 N ATOM 131 CA VAL A 9 3.036 -5.832 -1.918 1.00 0.00 C ATOM 132 C VAL A 9 3.135 -7.329 -1.597 1.00 0.00 C ATOM 133 O VAL A 9 4.217 -7.830 -1.295 1.00 0.00 O ATOM 134 CB VAL A 9 2.490 -5.017 -0.726 1.00 0.00 C ATOM 135 CG1 VAL A 9 3.177 -5.365 0.602 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.716 -3.518 -0.967 1.00 0.00 C ATOM 0 H VAL A 9 1.282 -5.258 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 9 4.035 -5.440 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 9 1.431 -5.265 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.750 -4.760 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.024 -6.421 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.245 -5.162 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.328 -2.951 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.783 -3.324 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.198 -3.214 -1.876 1.00 0.00 H new ATOM 146 N ALA A 10 2.031 -8.067 -1.763 1.00 0.00 N ATOM 147 CA ALA A 10 2.053 -9.532 -1.708 1.00 0.00 C ATOM 148 C ALA A 10 3.000 -10.146 -2.764 1.00 0.00 C ATOM 149 O ALA A 10 3.855 -10.961 -2.405 1.00 0.00 O ATOM 150 CB ALA A 10 0.624 -10.073 -1.833 1.00 0.00 C ATOM 0 H ALA A 10 1.108 -7.670 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 10 2.456 -9.832 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.642 -11.162 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.017 -9.689 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.196 -9.753 -2.783 1.00 0.00 H new ATOM 156 N LEU A 11 2.925 -9.720 -4.038 1.00 0.00 N ATOM 157 CA LEU A 11 3.893 -10.162 -5.057 1.00 0.00 C ATOM 158 C LEU A 11 5.335 -9.757 -4.722 1.00 0.00 C ATOM 159 O LEU A 11 6.226 -10.588 -4.831 1.00 0.00 O ATOM 160 CB LEU A 11 3.497 -9.676 -6.461 1.00 0.00 C ATOM 161 CG LEU A 11 4.313 -10.354 -7.587 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.968 -11.836 -7.754 1.00 0.00 C ATOM 163 CD2 LEU A 11 4.015 -9.657 -8.910 1.00 0.00 C ATOM 0 H LEU A 11 2.212 -9.077 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 11 3.862 -11.252 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.436 -9.870 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.636 -8.596 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 11 5.364 -10.273 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.570 -12.261 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.177 -12.365 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.911 -11.938 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.587 -10.130 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.951 -9.736 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.294 -8.606 -8.838 1.00 0.00 H new ATOM 175 N TYR A 12 5.579 -8.526 -4.270 1.00 0.00 N ATOM 176 CA TYR A 12 6.889 -8.067 -3.792 1.00 0.00 C ATOM 177 C TYR A 12 7.469 -9.013 -2.729 1.00 0.00 C ATOM 178 O TYR A 12 8.623 -9.434 -2.860 1.00 0.00 O ATOM 179 CB TYR A 12 6.743 -6.622 -3.288 1.00 0.00 C ATOM 180 CG TYR A 12 7.826 -6.072 -2.375 1.00 0.00 C ATOM 181 CD1 TYR A 12 9.190 -6.337 -2.606 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.445 -5.266 -1.285 1.00 0.00 C ATOM 183 CE1 TYR A 12 10.168 -5.809 -1.741 1.00 0.00 C ATOM 184 CE2 TYR A 12 8.419 -4.731 -0.424 1.00 0.00 C ATOM 185 CZ TYR A 12 9.786 -5.003 -0.646 1.00 0.00 C ATOM 186 OH TYR A 12 10.723 -4.487 0.196 1.00 0.00 O ATOM 0 H TYR A 12 4.859 -7.805 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 12 7.608 -8.081 -4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.677 -5.970 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.792 -6.547 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.486 -6.946 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.400 -5.058 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.213 -6.021 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.121 -4.111 0.409 1.00 0.00 H new ATOM 0 HH TYR A 12 10.281 -3.957 0.892 1.00 0.00 H new ATOM 196 N LYS A 13 6.666 -9.437 -1.740 1.00 0.00 N ATOM 197 CA LYS A 13 7.070 -10.476 -0.782 1.00 0.00 C ATOM 198 C LYS A 13 7.390 -11.800 -1.480 1.00 0.00 C ATOM 199 O LYS A 13 8.512 -12.277 -1.314 1.00 0.00 O ATOM 200 CB LYS A 13 6.029 -10.648 0.340 1.00 0.00 C ATOM 201 CG LYS A 13 5.896 -9.432 1.275 1.00 0.00 C ATOM 202 CD LYS A 13 7.160 -9.149 2.103 1.00 0.00 C ATOM 203 CE LYS A 13 6.892 -7.997 3.079 1.00 0.00 C ATOM 204 NZ LYS A 13 8.084 -7.697 3.915 1.00 0.00 N ATOM 0 H LYS A 13 5.726 -9.072 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 13 7.993 -10.140 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.058 -10.853 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.295 -11.521 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.658 -8.551 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.058 -9.595 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.454 -10.043 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.989 -8.894 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.605 -7.106 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.051 -8.254 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.865 -6.913 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.342 -8.540 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.879 -7.428 3.301 1.00 0.00 H new ATOM 218 N TYR A 14 6.511 -12.370 -2.316 1.00 0.00 N ATOM 219 CA TYR A 14 6.848 -13.604 -3.049 1.00 0.00 C ATOM 220 C TYR A 14 8.056 -13.503 -3.998 1.00 0.00 C ATOM 221 O TYR A 14 8.703 -14.515 -4.274 1.00 0.00 O ATOM 222 CB TYR A 14 5.615 -14.070 -3.846 1.00 0.00 C ATOM 223 CG TYR A 14 4.325 -14.255 -3.058 1.00 0.00 C ATOM 224 CD1 TYR A 14 4.332 -14.867 -1.787 1.00 0.00 C ATOM 225 CD2 TYR A 14 3.102 -13.827 -3.617 1.00 0.00 C ATOM 226 CE1 TYR A 14 3.130 -15.016 -1.066 1.00 0.00 C ATOM 227 CE2 TYR A 14 1.898 -13.977 -2.899 1.00 0.00 C ATOM 228 CZ TYR A 14 1.911 -14.568 -1.616 1.00 0.00 C ATOM 229 OH TYR A 14 0.755 -14.719 -0.913 1.00 0.00 O ATOM 0 H TYR A 14 5.576 -12.006 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 14 7.141 -14.324 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.429 -13.347 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.859 -15.017 -4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.261 -15.222 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.088 -13.382 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.143 -15.475 -0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.966 -13.640 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 14 0.007 -14.357 -1.432 1.00 0.00 H new ATOM 239 N MET A 15 8.393 -12.312 -4.491 1.00 0.00 N ATOM 240 CA MET A 15 9.526 -12.099 -5.397 1.00 0.00 C ATOM 241 C MET A 15 10.838 -11.989 -4.620 1.00 0.00 C ATOM 242 O MET A 15 11.831 -12.618 -5.005 1.00 0.00 O ATOM 243 CB MET A 15 9.272 -10.875 -6.280 1.00 0.00 C ATOM 244 CG MET A 15 8.133 -11.225 -7.240 1.00 0.00 C ATOM 245 SD MET A 15 8.507 -12.419 -8.561 1.00 0.00 S ATOM 246 CE MET A 15 9.548 -11.414 -9.651 1.00 0.00 C ATOM 0 H MET A 15 7.883 -11.457 -4.271 1.00 0.00 H new ATOM 0 HA MET A 15 9.622 -12.965 -6.052 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.007 -10.011 -5.670 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.172 -10.609 -6.834 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.303 -11.618 -6.653 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.786 -10.302 -7.705 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.886 -12.020 -10.491 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.973 -10.566 -10.023 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.412 -11.050 -9.095 1.00 0.00 H new ATOM 256 N LYS A 16 10.826 -11.286 -3.477 1.00 0.00 N ATOM 257 CA LYS A 16 11.947 -11.310 -2.520 1.00 0.00 C ATOM 258 C LYS A 16 12.145 -12.716 -1.935 1.00 0.00 C ATOM 259 O LYS A 16 13.259 -13.092 -1.573 1.00 0.00 O ATOM 260 CB LYS A 16 11.686 -10.236 -1.444 1.00 0.00 C ATOM 261 CG LYS A 16 12.882 -10.014 -0.502 1.00 0.00 C ATOM 262 CD LYS A 16 12.781 -10.832 0.800 1.00 0.00 C ATOM 263 CE LYS A 16 14.123 -10.930 1.537 1.00 0.00 C ATOM 264 NZ LYS A 16 15.084 -11.822 0.831 1.00 0.00 N ATOM 0 H LYS A 16 10.049 -10.691 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 16 12.885 -11.072 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.438 -9.294 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.817 -10.527 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.802 -10.281 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.951 -8.955 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.042 -10.374 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.423 -11.835 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.557 -9.935 1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.955 -11.305 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.455 -12.529 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.599 -12.305 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.871 -11.256 0.454 1.00 0.00 H new ATOM 278 N GLU A 17 11.065 -13.498 -1.915 1.00 0.00 N ATOM 279 CA GLU A 17 11.112 -14.911 -1.486 1.00 0.00 C ATOM 280 C GLU A 17 11.812 -15.820 -2.528 1.00 0.00 C ATOM 281 O GLU A 17 12.056 -16.998 -2.254 1.00 0.00 O ATOM 282 CB GLU A 17 9.683 -15.374 -1.138 1.00 0.00 C ATOM 283 CG GLU A 17 9.543 -16.736 -0.445 1.00 0.00 C ATOM 284 CD GLU A 17 8.067 -17.017 -0.103 1.00 0.00 C ATOM 285 OE1 GLU A 17 7.270 -17.277 -1.038 1.00 0.00 O ATOM 286 OE2 GLU A 17 7.698 -16.986 1.096 1.00 0.00 O ATOM 0 H GLU A 17 10.136 -13.180 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 17 11.728 -14.996 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.229 -14.619 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.101 -15.401 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.928 -17.522 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.143 -16.751 0.465 1.00 0.00 H new ATOM 293 N ARG A 18 12.173 -15.278 -3.708 1.00 0.00 N ATOM 294 CA ARG A 18 12.699 -16.077 -4.831 1.00 0.00 C ATOM 295 C ARG A 18 14.010 -15.539 -5.403 1.00 0.00 C ATOM 296 O ARG A 18 15.050 -16.170 -5.205 1.00 0.00 O ATOM 297 CB ARG A 18 11.596 -16.239 -5.900 1.00 0.00 C ATOM 298 CG ARG A 18 10.533 -17.250 -5.441 1.00 0.00 C ATOM 299 CD ARG A 18 9.227 -17.147 -6.242 1.00 0.00 C ATOM 300 NE ARG A 18 8.227 -18.124 -5.758 1.00 0.00 N ATOM 301 CZ ARG A 18 7.606 -18.112 -4.589 1.00 0.00 C ATOM 302 NH1 ARG A 18 7.713 -17.118 -3.759 1.00 0.00 N ATOM 303 NH2 ARG A 18 6.867 -19.111 -4.210 1.00 0.00 N ATOM 0 H ARG A 18 12.109 -14.280 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 18 12.965 -17.063 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.127 -15.274 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.039 -16.572 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.933 -18.259 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.319 -17.090 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.824 -16.138 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.430 -17.323 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 18 7.991 -18.887 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.290 -16.312 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.220 -17.143 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.757 -19.923 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.397 -19.083 -3.305 1.00 0.00 H new ATOM 317 N LYS A 19 13.974 -14.402 -6.103 1.00 0.00 N ATOM 318 CA LYS A 19 15.108 -13.869 -6.899 1.00 0.00 C ATOM 319 C LYS A 19 15.146 -12.338 -7.014 1.00 0.00 C ATOM 320 O LYS A 19 16.106 -11.803 -7.569 1.00 0.00 O ATOM 321 CB LYS A 19 15.053 -14.462 -8.331 1.00 0.00 C ATOM 322 CG LYS A 19 15.339 -15.968 -8.471 1.00 0.00 C ATOM 323 CD LYS A 19 16.778 -16.350 -8.086 1.00 0.00 C ATOM 324 CE LYS A 19 16.985 -17.859 -8.260 1.00 0.00 C ATOM 325 NZ LYS A 19 18.364 -18.268 -7.881 1.00 0.00 N ATOM 0 H LYS A 19 13.146 -13.808 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 19 16.009 -14.166 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.063 -14.265 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.769 -13.921 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.642 -16.523 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.152 -16.272 -9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.487 -15.803 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.975 -16.065 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.263 -18.399 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.794 -18.136 -9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.470 -19.294 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.051 -17.770 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.537 -18.025 -6.885 1.00 0.00 H new ATOM 339 N THR A 20 14.137 -11.635 -6.494 1.00 0.00 N ATOM 340 CA THR A 20 13.944 -10.196 -6.792 1.00 0.00 C ATOM 341 C THR A 20 13.399 -9.393 -5.599 1.00 0.00 C ATOM 342 O THR A 20 12.195 -9.420 -5.356 1.00 0.00 O ATOM 343 CB THR A 20 13.032 -10.062 -8.030 1.00 0.00 C ATOM 344 OG1 THR A 20 13.771 -10.455 -9.169 1.00 0.00 O ATOM 345 CG2 THR A 20 12.509 -8.656 -8.343 1.00 0.00 C ATOM 0 H THR A 20 13.437 -12.029 -5.865 1.00 0.00 H new ATOM 0 HA THR A 20 14.922 -9.762 -7.002 1.00 0.00 H new ATOM 0 HB THR A 20 12.166 -10.682 -7.797 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.207 -10.378 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.881 -8.691 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.923 -8.290 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.350 -7.986 -8.519 1.00 0.00 H new ATOM 353 N PRO A 21 14.230 -8.600 -4.888 1.00 0.00 N ATOM 354 CA PRO A 21 13.786 -7.667 -3.837 1.00 0.00 C ATOM 355 C PRO A 21 13.114 -6.381 -4.385 1.00 0.00 C ATOM 356 O PRO A 21 13.022 -5.383 -3.674 1.00 0.00 O ATOM 357 CB PRO A 21 15.058 -7.376 -3.029 1.00 0.00 C ATOM 358 CG PRO A 21 16.151 -7.411 -4.092 1.00 0.00 C ATOM 359 CD PRO A 21 15.683 -8.529 -5.025 1.00 0.00 C ATOM 0 HA PRO A 21 12.997 -8.104 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.008 -6.407 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.224 -8.124 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.237 -6.458 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.128 -7.627 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.966 -8.318 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.145 -9.479 -4.756 1.00 0.00 H new ATOM 367 N ILE A 22 12.672 -6.423 -5.654 1.00 0.00 N ATOM 368 CA ILE A 22 12.054 -5.283 -6.369 1.00 0.00 C ATOM 369 C ILE A 22 12.950 -4.066 -6.656 1.00 0.00 C ATOM 370 O ILE A 22 12.997 -3.617 -7.798 1.00 0.00 O ATOM 371 CB ILE A 22 10.623 -4.978 -5.839 1.00 0.00 C ATOM 372 CG1 ILE A 22 9.603 -4.949 -6.999 1.00 0.00 C ATOM 373 CG2 ILE A 22 10.523 -3.690 -4.998 1.00 0.00 C ATOM 374 CD1 ILE A 22 8.144 -5.099 -6.532 1.00 0.00 C ATOM 0 H ILE A 22 12.734 -7.265 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 22 11.925 -5.632 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 22 10.381 -5.796 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.708 -4.010 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.837 -5.751 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.494 -3.550 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.175 -3.772 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.829 -2.836 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.481 -5.070 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.024 -6.050 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.893 -4.283 -5.855 1.00 0.00 H new ATOM 386 N GLU A 23 13.738 -3.587 -5.692 1.00 0.00 N ATOM 387 CA GLU A 23 14.623 -2.424 -5.912 1.00 0.00 C ATOM 388 C GLU A 23 15.768 -2.628 -6.928 1.00 0.00 C ATOM 389 O GLU A 23 16.437 -1.661 -7.298 1.00 0.00 O ATOM 390 CB GLU A 23 15.214 -1.988 -4.557 1.00 0.00 C ATOM 391 CG GLU A 23 14.145 -1.570 -3.536 1.00 0.00 C ATOM 392 CD GLU A 23 14.796 -1.045 -2.241 1.00 0.00 C ATOM 393 OE1 GLU A 23 15.227 -1.865 -1.392 1.00 0.00 O ATOM 394 OE2 GLU A 23 14.878 0.194 -2.054 1.00 0.00 O ATOM 0 H GLU A 23 13.787 -3.979 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 23 13.989 -1.658 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.801 -2.808 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.899 -1.155 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.508 -0.797 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.504 -2.421 -3.306 1.00 0.00 H new ATOM 401 N ARG A 24 15.993 -3.860 -7.415 1.00 0.00 N ATOM 402 CA ARG A 24 16.907 -4.144 -8.542 1.00 0.00 C ATOM 403 C ARG A 24 16.522 -3.423 -9.847 1.00 0.00 C ATOM 404 O ARG A 24 17.371 -3.233 -10.719 1.00 0.00 O ATOM 405 CB ARG A 24 17.038 -5.666 -8.759 1.00 0.00 C ATOM 406 CG ARG A 24 15.785 -6.323 -9.376 1.00 0.00 C ATOM 407 CD ARG A 24 15.889 -7.851 -9.480 1.00 0.00 C ATOM 408 NE ARG A 24 16.973 -8.296 -10.377 1.00 0.00 N ATOM 409 CZ ARG A 24 17.176 -9.532 -10.799 1.00 0.00 C ATOM 410 NH1 ARG A 24 16.398 -10.526 -10.471 1.00 0.00 N ATOM 411 NH2 ARG A 24 18.186 -9.800 -11.576 1.00 0.00 N ATOM 0 H ARG A 24 15.544 -4.695 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 24 17.879 -3.739 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.893 -5.858 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.251 -6.142 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.914 -6.065 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.618 -5.909 -10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.054 -8.267 -8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.941 -8.250 -9.839 1.00 0.00 H new ATOM 0 HE ARG A 24 17.627 -7.583 -10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.594 -10.366 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.594 -11.464 -10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.822 -9.055 -11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.341 -10.755 -11.900 1.00 0.00 H new ATOM 425 N ILE A 25 15.245 -3.059 -9.996 1.00 0.00 N ATOM 426 CA ILE A 25 14.685 -2.398 -11.183 1.00 0.00 C ATOM 427 C ILE A 25 15.238 -0.962 -11.366 1.00 0.00 C ATOM 428 O ILE A 25 15.382 -0.232 -10.382 1.00 0.00 O ATOM 429 CB ILE A 25 13.137 -2.472 -11.098 1.00 0.00 C ATOM 430 CG1 ILE A 25 12.716 -3.833 -11.697 1.00 0.00 C ATOM 431 CG2 ILE A 25 12.394 -1.294 -11.750 1.00 0.00 C ATOM 432 CD1 ILE A 25 11.239 -4.187 -11.519 1.00 0.00 C ATOM 0 H ILE A 25 14.547 -3.221 -9.270 1.00 0.00 H new ATOM 0 HA ILE A 25 15.000 -2.919 -12.087 1.00 0.00 H new ATOM 0 HB ILE A 25 12.845 -2.391 -10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.948 -3.832 -12.762 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.320 -4.617 -11.240 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.319 -1.436 -11.639 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.689 -0.364 -11.264 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.646 -1.246 -12.809 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.041 -5.159 -11.972 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.000 -4.226 -10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.622 -3.429 -12.002 1.00 0.00 H new ATOM 444 N PRO A 26 15.515 -0.526 -12.615 1.00 0.00 N ATOM 445 CA PRO A 26 16.057 0.804 -12.934 1.00 0.00 C ATOM 446 C PRO A 26 15.041 1.965 -12.849 1.00 0.00 C ATOM 447 O PRO A 26 15.423 3.113 -13.091 1.00 0.00 O ATOM 448 CB PRO A 26 16.622 0.660 -14.354 1.00 0.00 C ATOM 449 CG PRO A 26 15.697 -0.372 -14.991 1.00 0.00 C ATOM 450 CD PRO A 26 15.449 -1.332 -13.829 1.00 0.00 C ATOM 0 HA PRO A 26 16.805 1.084 -12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 26 16.602 1.607 -14.894 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.658 0.321 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.773 0.077 -15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.164 -0.871 -15.840 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.476 -1.815 -13.924 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.198 -2.124 -13.812 1.00 0.00 H new ATOM 458 N TYR A 27 13.774 1.674 -12.508 1.00 0.00 N ATOM 459 CA TYR A 27 12.701 2.687 -12.415 1.00 0.00 C ATOM 460 C TYR A 27 12.235 3.227 -13.787 1.00 0.00 C ATOM 461 O TYR A 27 12.731 2.809 -14.835 1.00 0.00 O ATOM 462 CB TYR A 27 13.025 3.780 -11.373 1.00 0.00 C ATOM 463 CG TYR A 27 13.526 3.264 -10.033 1.00 0.00 C ATOM 464 CD1 TYR A 27 12.655 2.555 -9.181 1.00 0.00 C ATOM 465 CD2 TYR A 27 14.857 3.503 -9.634 1.00 0.00 C ATOM 466 CE1 TYR A 27 13.108 2.091 -7.930 1.00 0.00 C ATOM 467 CE2 TYR A 27 15.313 3.040 -8.386 1.00 0.00 C ATOM 468 CZ TYR A 27 14.441 2.335 -7.528 1.00 0.00 C ATOM 469 OH TYR A 27 14.885 1.909 -6.313 1.00 0.00 O ATOM 0 H TYR A 27 13.461 0.728 -12.288 1.00 0.00 H new ATOM 0 HA TYR A 27 11.820 2.171 -12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.777 4.448 -11.792 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.128 4.376 -11.203 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.637 2.367 -9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 27 15.527 4.042 -10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.438 1.550 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.333 3.224 -8.083 1.00 0.00 H new ATOM 0 HH TYR A 27 15.826 2.161 -6.202 1.00 0.00 H new ATOM 479 N LEU A 28 11.235 4.118 -13.796 1.00 0.00 N ATOM 480 CA LEU A 28 10.510 4.586 -14.995 1.00 0.00 C ATOM 481 C LEU A 28 11.177 5.815 -15.662 1.00 0.00 C ATOM 482 O LEU A 28 10.505 6.706 -16.185 1.00 0.00 O ATOM 483 CB LEU A 28 9.035 4.813 -14.576 1.00 0.00 C ATOM 484 CG LEU A 28 7.969 4.780 -15.693 1.00 0.00 C ATOM 485 CD1 LEU A 28 7.925 3.438 -16.424 1.00 0.00 C ATOM 486 CD2 LEU A 28 6.592 5.022 -15.070 1.00 0.00 C ATOM 0 H LEU A 28 10.892 4.552 -12.939 1.00 0.00 H new ATOM 0 HA LEU A 28 10.547 3.833 -15.782 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.774 4.055 -13.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.971 5.780 -14.077 1.00 0.00 H new ATOM 0 HG LEU A 28 8.233 5.553 -16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.159 3.470 -17.198 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.895 3.241 -16.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.690 2.645 -15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.831 5.001 -15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.382 4.243 -14.337 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.581 5.995 -14.579 1.00 0.00 H new ATOM 498 N GLY A 29 12.506 5.930 -15.562 1.00 0.00 N ATOM 499 CA GLY A 29 13.266 7.027 -16.185 1.00 0.00 C ATOM 500 C GLY A 29 13.370 8.287 -15.318 1.00 0.00 C ATOM 501 O GLY A 29 14.412 8.944 -15.305 1.00 0.00 O ATOM 0 H GLY A 29 13.087 5.268 -15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.271 6.673 -16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.795 7.289 -17.133 1.00 0.00 H new ATOM 505 N PHE A 30 12.318 8.593 -14.549 1.00 0.00 N ATOM 506 CA PHE A 30 12.264 9.732 -13.619 1.00 0.00 C ATOM 507 C PHE A 30 11.441 9.484 -12.336 1.00 0.00 C ATOM 508 O PHE A 30 11.425 10.335 -11.443 1.00 0.00 O ATOM 509 CB PHE A 30 11.710 10.962 -14.362 1.00 0.00 C ATOM 510 CG PHE A 30 10.193 10.999 -14.508 1.00 0.00 C ATOM 511 CD1 PHE A 30 9.533 10.084 -15.352 1.00 0.00 C ATOM 512 CD2 PHE A 30 9.435 11.947 -13.793 1.00 0.00 C ATOM 513 CE1 PHE A 30 8.132 10.115 -15.480 1.00 0.00 C ATOM 514 CE2 PHE A 30 8.034 11.981 -13.923 1.00 0.00 C ATOM 515 CZ PHE A 30 7.383 11.064 -14.766 1.00 0.00 C ATOM 0 H PHE A 30 11.459 8.043 -14.555 1.00 0.00 H new ATOM 0 HA PHE A 30 13.287 9.895 -13.280 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.031 11.861 -13.835 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.156 10.999 -15.356 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.106 9.354 -15.904 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.931 12.651 -13.142 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.633 9.409 -16.127 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.459 12.712 -13.375 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.308 11.089 -14.864 1.00 0.00 H new ATOM 525 N LYS A 31 10.749 8.336 -12.252 1.00 0.00 N ATOM 526 CA LYS A 31 9.755 8.075 -11.194 1.00 0.00 C ATOM 527 C LYS A 31 9.724 6.583 -10.843 1.00 0.00 C ATOM 528 O LYS A 31 10.122 5.748 -11.657 1.00 0.00 O ATOM 529 CB LYS A 31 8.389 8.570 -11.718 1.00 0.00 C ATOM 530 CG LYS A 31 7.322 8.743 -10.626 1.00 0.00 C ATOM 531 CD LYS A 31 6.049 9.369 -11.213 1.00 0.00 C ATOM 532 CE LYS A 31 5.047 9.690 -10.096 1.00 0.00 C ATOM 533 NZ LYS A 31 3.821 10.343 -10.630 1.00 0.00 N ATOM 0 H LYS A 31 10.861 7.566 -12.911 1.00 0.00 H new ATOM 0 HA LYS A 31 10.011 8.603 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.531 9.524 -12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.020 7.864 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.087 7.776 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.710 9.375 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.301 10.279 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.597 8.684 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.774 8.771 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.517 10.344 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.167 10.545 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.079 11.232 -11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.359 9.709 -11.312 1.00 0.00 H new ATOM 547 N GLN A 32 9.251 6.242 -9.646 1.00 0.00 N ATOM 548 CA GLN A 32 9.067 4.855 -9.201 1.00 0.00 C ATOM 549 C GLN A 32 8.153 4.060 -10.157 1.00 0.00 C ATOM 550 O GLN A 32 7.207 4.605 -10.731 1.00 0.00 O ATOM 551 CB GLN A 32 8.458 4.875 -7.784 1.00 0.00 C ATOM 552 CG GLN A 32 8.532 3.528 -7.042 1.00 0.00 C ATOM 553 CD GLN A 32 7.477 3.436 -5.941 1.00 0.00 C ATOM 554 OE1 GLN A 32 7.673 3.866 -4.811 1.00 0.00 O ATOM 555 NE2 GLN A 32 6.319 2.883 -6.231 1.00 0.00 N ATOM 0 H GLN A 32 8.979 6.930 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 32 10.037 4.357 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.972 5.631 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.414 5.181 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.391 2.713 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.524 3.405 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.147 2.522 -7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.593 2.815 -5.517 1.00 0.00 H new ATOM 564 N ILE A 33 8.416 2.754 -10.289 1.00 0.00 N ATOM 565 CA ILE A 33 7.470 1.839 -10.937 1.00 0.00 C ATOM 566 C ILE A 33 6.126 1.840 -10.186 1.00 0.00 C ATOM 567 O ILE A 33 6.080 1.810 -8.953 1.00 0.00 O ATOM 568 CB ILE A 33 8.035 0.406 -11.051 1.00 0.00 C ATOM 569 CG1 ILE A 33 8.760 -0.085 -9.775 1.00 0.00 C ATOM 570 CG2 ILE A 33 8.950 0.319 -12.285 1.00 0.00 C ATOM 571 CD1 ILE A 33 8.874 -1.611 -9.688 1.00 0.00 C ATOM 0 H ILE A 33 9.272 2.309 -9.957 1.00 0.00 H new ATOM 0 HA ILE A 33 7.307 2.199 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 33 7.186 -0.268 -11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.759 0.349 -9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.226 0.282 -8.899 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.351 -0.691 -12.370 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.377 0.558 -13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.771 1.028 -12.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.393 -1.885 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.877 -2.051 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.434 -1.984 -10.546 1.00 0.00 H new ATOM 583 N ASN A 34 5.032 1.850 -10.947 1.00 0.00 N ATOM 584 CA ASN A 34 3.651 1.905 -10.465 1.00 0.00 C ATOM 585 C ASN A 34 2.869 0.787 -11.162 1.00 0.00 C ATOM 586 O ASN A 34 2.184 1.012 -12.158 1.00 0.00 O ATOM 587 CB ASN A 34 3.066 3.306 -10.728 1.00 0.00 C ATOM 588 CG ASN A 34 3.727 4.416 -9.924 1.00 0.00 C ATOM 589 OD1 ASN A 34 4.036 4.288 -8.750 1.00 0.00 O ATOM 590 ND2 ASN A 34 3.944 5.563 -10.528 1.00 0.00 N ATOM 0 H ASN A 34 5.087 1.818 -11.965 1.00 0.00 H new ATOM 0 HA ASN A 34 3.591 1.745 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.162 3.535 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.000 3.292 -10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.367 6.337 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.689 5.679 -11.509 1.00 0.00 H new ATOM 597 N LEU A 35 3.065 -0.453 -10.709 1.00 0.00 N ATOM 598 CA LEU A 35 2.581 -1.663 -11.390 1.00 0.00 C ATOM 599 C LEU A 35 1.046 -1.715 -11.560 1.00 0.00 C ATOM 600 O LEU A 35 0.565 -2.136 -12.608 1.00 0.00 O ATOM 601 CB LEU A 35 3.184 -2.885 -10.677 1.00 0.00 C ATOM 602 CG LEU A 35 4.653 -3.109 -11.089 1.00 0.00 C ATOM 603 CD1 LEU A 35 5.453 -3.707 -9.938 1.00 0.00 C ATOM 604 CD2 LEU A 35 4.760 -4.048 -12.287 1.00 0.00 C ATOM 0 H LEU A 35 3.572 -0.651 -9.846 1.00 0.00 H new ATOM 0 HA LEU A 35 2.926 -1.656 -12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.125 -2.744 -9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.598 -3.773 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 35 5.058 -2.133 -11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.486 -3.856 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.427 -3.028 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.019 -4.665 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.809 -4.184 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.322 -5.013 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.226 -3.619 -13.135 1.00 0.00 H new ATOM 616 N TRP A 36 0.288 -1.183 -10.596 1.00 0.00 N ATOM 617 CA TRP A 36 -1.164 -0.925 -10.687 1.00 0.00 C ATOM 618 C TRP A 36 -1.506 0.010 -11.883 1.00 0.00 C ATOM 619 O TRP A 36 -2.435 -0.236 -12.664 1.00 0.00 O ATOM 620 CB TRP A 36 -1.611 -0.296 -9.352 1.00 0.00 C ATOM 621 CG TRP A 36 -0.725 0.774 -8.779 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.846 2.106 -8.974 1.00 0.00 C ATOM 623 CD2 TRP A 36 0.465 0.605 -7.947 1.00 0.00 C ATOM 624 NE1 TRP A 36 0.187 2.766 -8.335 1.00 0.00 N ATOM 625 CE2 TRP A 36 1.042 1.887 -7.705 1.00 0.00 C ATOM 626 CE3 TRP A 36 1.136 -0.512 -7.405 1.00 0.00 C ATOM 627 CZ2 TRP A 36 2.231 2.050 -6.981 1.00 0.00 C ATOM 628 CZ3 TRP A 36 2.347 -0.365 -6.701 1.00 0.00 C ATOM 629 CH2 TRP A 36 2.894 0.913 -6.488 1.00 0.00 C ATOM 0 H TRP A 36 0.678 -0.908 -9.694 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.694 -1.860 -10.865 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.607 0.125 -9.491 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.702 -1.093 -8.614 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.631 2.582 -9.543 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.302 3.779 -8.330 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.713 -1.498 -7.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.633 3.037 -6.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.858 -1.238 -6.323 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.822 1.021 -5.946 1.00 0.00 H new ATOM 640 N THR A 37 -0.718 1.080 -12.063 1.00 0.00 N ATOM 641 CA THR A 37 -0.873 2.071 -13.143 1.00 0.00 C ATOM 642 C THR A 37 -0.459 1.518 -14.506 1.00 0.00 C ATOM 643 O THR A 37 -1.236 1.637 -15.453 1.00 0.00 O ATOM 644 CB THR A 37 -0.101 3.368 -12.848 1.00 0.00 C ATOM 645 OG1 THR A 37 -0.545 3.893 -11.616 1.00 0.00 O ATOM 646 CG2 THR A 37 -0.342 4.460 -13.892 1.00 0.00 C ATOM 0 H THR A 37 0.067 1.287 -11.445 1.00 0.00 H new ATOM 0 HA THR A 37 -1.937 2.302 -13.182 1.00 0.00 H new ATOM 0 HB THR A 37 0.957 3.105 -12.847 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.415 3.226 -10.910 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.230 5.349 -13.627 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.025 4.103 -14.872 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.403 4.707 -13.922 1.00 0.00 H new ATOM 654 N MET A 38 0.710 0.871 -14.633 1.00 0.00 N ATOM 655 CA MET A 38 1.110 0.250 -15.908 1.00 0.00 C ATOM 656 C MET A 38 0.147 -0.884 -16.315 1.00 0.00 C ATOM 657 O MET A 38 -0.061 -1.107 -17.504 1.00 0.00 O ATOM 658 CB MET A 38 2.591 -0.175 -15.927 1.00 0.00 C ATOM 659 CG MET A 38 2.882 -1.567 -15.355 1.00 0.00 C ATOM 660 SD MET A 38 4.628 -2.071 -15.400 1.00 0.00 S ATOM 661 CE MET A 38 5.393 -0.889 -14.253 1.00 0.00 C ATOM 0 H MET A 38 1.389 0.764 -13.879 1.00 0.00 H new ATOM 0 HA MET A 38 1.025 1.019 -16.676 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.948 -0.142 -16.956 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.169 0.558 -15.365 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.538 -1.597 -14.321 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.294 -2.300 -15.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.213 -1.374 -13.724 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.777 -0.036 -14.812 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.649 -0.546 -13.534 1.00 0.00 H new ATOM 671 N PHE A 39 -0.483 -1.547 -15.331 1.00 0.00 N ATOM 672 CA PHE A 39 -1.586 -2.480 -15.592 1.00 0.00 C ATOM 673 C PHE A 39 -2.778 -1.780 -16.236 1.00 0.00 C ATOM 674 O PHE A 39 -3.108 -2.106 -17.376 1.00 0.00 O ATOM 675 CB PHE A 39 -2.040 -3.194 -14.314 1.00 0.00 C ATOM 676 CG PHE A 39 -3.171 -4.187 -14.536 1.00 0.00 C ATOM 677 CD1 PHE A 39 -3.032 -5.240 -15.463 1.00 0.00 C ATOM 678 CD2 PHE A 39 -4.373 -4.052 -13.814 1.00 0.00 C ATOM 679 CE1 PHE A 39 -4.073 -6.165 -15.647 1.00 0.00 C ATOM 680 CE2 PHE A 39 -5.422 -4.967 -14.012 1.00 0.00 C ATOM 681 CZ PHE A 39 -5.269 -6.022 -14.927 1.00 0.00 C ATOM 0 H PHE A 39 -0.244 -1.452 -14.344 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.200 -3.224 -16.289 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.189 -3.718 -13.879 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.361 -2.448 -13.586 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.121 -5.336 -16.035 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.489 -3.244 -13.107 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.953 -6.984 -16.341 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.345 -4.859 -13.461 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.075 -6.725 -15.077 1.00 0.00 H new ATOM 691 N GLN A 40 -3.413 -0.802 -15.572 1.00 0.00 N ATOM 692 CA GLN A 40 -4.585 -0.151 -16.188 1.00 0.00 C ATOM 693 C GLN A 40 -4.253 0.597 -17.495 1.00 0.00 C ATOM 694 O GLN A 40 -5.109 0.692 -18.376 1.00 0.00 O ATOM 695 CB GLN A 40 -5.347 0.731 -15.183 1.00 0.00 C ATOM 696 CG GLN A 40 -4.567 1.961 -14.689 1.00 0.00 C ATOM 697 CD GLN A 40 -5.375 2.838 -13.729 1.00 0.00 C ATOM 698 OE1 GLN A 40 -6.578 3.029 -13.862 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.756 3.419 -12.720 1.00 0.00 N ATOM 0 H GLN A 40 -3.152 -0.454 -14.649 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.258 -0.958 -16.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.275 1.068 -15.646 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.623 0.122 -14.322 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.656 1.630 -14.190 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.261 2.559 -15.548 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.755 3.277 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.278 4.010 -12.074 1.00 0.00 H new ATOM 708 N ALA A 41 -3.010 1.058 -17.674 1.00 0.00 N ATOM 709 CA ALA A 41 -2.527 1.575 -18.952 1.00 0.00 C ATOM 710 C ALA A 41 -2.469 0.477 -20.026 1.00 0.00 C ATOM 711 O ALA A 41 -3.113 0.613 -21.067 1.00 0.00 O ATOM 712 CB ALA A 41 -1.158 2.236 -18.744 1.00 0.00 C ATOM 0 H ALA A 41 -2.311 1.082 -16.932 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.230 2.323 -19.318 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.793 2.624 -19.695 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.254 3.055 -18.031 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.453 1.500 -18.358 1.00 0.00 H new ATOM 718 N ALA A 42 -1.780 -0.642 -19.771 1.00 0.00 N ATOM 719 CA ALA A 42 -1.713 -1.762 -20.709 1.00 0.00 C ATOM 720 C ALA A 42 -3.109 -2.305 -21.050 1.00 0.00 C ATOM 721 O ALA A 42 -3.380 -2.586 -22.210 1.00 0.00 O ATOM 722 CB ALA A 42 -0.807 -2.857 -20.131 1.00 0.00 C ATOM 0 H ALA A 42 -1.255 -0.793 -18.910 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.284 -1.407 -21.646 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.756 -3.693 -20.829 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.194 -2.455 -19.972 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.214 -3.202 -19.181 1.00 0.00 H new ATOM 728 N GLN A 43 -4.016 -2.374 -20.073 1.00 0.00 N ATOM 729 CA GLN A 43 -5.391 -2.836 -20.292 1.00 0.00 C ATOM 730 C GLN A 43 -6.193 -1.940 -21.254 1.00 0.00 C ATOM 731 O GLN A 43 -7.058 -2.449 -21.971 1.00 0.00 O ATOM 732 CB GLN A 43 -6.132 -2.986 -18.952 1.00 0.00 C ATOM 733 CG GLN A 43 -5.633 -4.169 -18.103 1.00 0.00 C ATOM 734 CD GLN A 43 -5.815 -5.521 -18.791 1.00 0.00 C ATOM 735 OE1 GLN A 43 -6.911 -5.930 -19.152 1.00 0.00 O ATOM 736 NE2 GLN A 43 -4.751 -6.262 -19.022 1.00 0.00 N ATOM 0 H GLN A 43 -3.819 -2.111 -19.107 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.312 -3.810 -20.774 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.020 -2.065 -18.379 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.197 -3.113 -19.147 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.577 -4.024 -17.874 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.167 -4.177 -17.153 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.830 -5.937 -18.728 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.848 -7.161 -19.495 1.00 0.00 H new ATOM 745 N LYS A 44 -5.874 -0.638 -21.326 1.00 0.00 N ATOM 746 CA LYS A 44 -6.470 0.257 -22.338 1.00 0.00 C ATOM 747 C LYS A 44 -5.766 0.123 -23.687 1.00 0.00 C ATOM 748 O LYS A 44 -6.435 0.013 -24.715 1.00 0.00 O ATOM 749 CB LYS A 44 -6.494 1.711 -21.834 1.00 0.00 C ATOM 750 CG LYS A 44 -7.555 1.876 -20.729 1.00 0.00 C ATOM 751 CD LYS A 44 -7.801 3.335 -20.323 1.00 0.00 C ATOM 752 CE LYS A 44 -6.571 3.983 -19.678 1.00 0.00 C ATOM 753 NZ LYS A 44 -6.865 5.370 -19.237 1.00 0.00 N ATOM 0 H LYS A 44 -5.211 -0.181 -20.700 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.504 -0.049 -22.496 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.512 1.986 -21.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.712 2.386 -22.661 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.494 1.440 -21.071 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.243 1.311 -19.850 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.090 3.909 -21.203 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.637 3.378 -19.625 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.249 3.387 -18.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.746 3.992 -20.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.037 5.760 -18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.084 5.959 -20.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.681 5.364 -18.592 1.00 0.00 H new ATOM 767 N LEU A 45 -4.433 0.036 -23.673 1.00 0.00 N ATOM 768 CA LEU A 45 -3.648 -0.258 -24.883 1.00 0.00 C ATOM 769 C LEU A 45 -3.700 -1.749 -25.352 1.00 0.00 C ATOM 770 O LEU A 45 -2.915 -2.141 -26.220 1.00 0.00 O ATOM 771 CB LEU A 45 -2.212 0.324 -24.723 1.00 0.00 C ATOM 772 CG LEU A 45 -2.021 1.872 -24.709 1.00 0.00 C ATOM 773 CD1 LEU A 45 -2.872 2.584 -25.762 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.312 2.530 -23.363 1.00 0.00 C ATOM 0 H LEU A 45 -3.869 0.165 -22.833 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.124 0.251 -25.721 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.800 -0.067 -23.792 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.603 -0.075 -25.534 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.961 1.989 -24.934 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.698 3.658 -25.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.599 2.224 -26.754 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.926 2.377 -25.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.155 3.606 -23.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.346 2.335 -23.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.644 2.120 -22.606 1.00 0.00 H new ATOM 786 N GLY A 46 -4.631 -2.571 -24.828 1.00 0.00 N ATOM 787 CA GLY A 46 -4.926 -3.908 -25.408 1.00 0.00 C ATOM 788 C GLY A 46 -4.375 -5.136 -24.657 1.00 0.00 C ATOM 789 O GLY A 46 -4.205 -6.214 -25.233 1.00 0.00 O ATOM 0 H GLY A 46 -5.192 -2.339 -24.008 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.008 -4.014 -25.481 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.534 -3.930 -26.425 1.00 0.00 H new ATOM 793 N GLY A 47 -4.101 -4.949 -23.369 1.00 0.00 N ATOM 794 CA GLY A 47 -3.369 -5.908 -22.551 1.00 0.00 C ATOM 795 C GLY A 47 -1.944 -6.161 -23.045 1.00 0.00 C ATOM 796 O GLY A 47 -1.540 -5.747 -24.137 1.00 0.00 O ATOM 0 H GLY A 47 -4.386 -4.114 -22.858 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.331 -5.545 -21.524 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.914 -6.852 -22.535 1.00 0.00 H new ATOM 800 N TYR A 48 -1.190 -6.910 -22.242 1.00 0.00 N ATOM 801 CA TYR A 48 0.115 -7.443 -22.655 1.00 0.00 C ATOM 802 C TYR A 48 0.069 -8.187 -24.007 1.00 0.00 C ATOM 803 O TYR A 48 1.064 -8.235 -24.731 1.00 0.00 O ATOM 804 CB TYR A 48 0.622 -8.361 -21.537 1.00 0.00 C ATOM 805 CG TYR A 48 1.994 -8.975 -21.758 1.00 0.00 C ATOM 806 CD1 TYR A 48 3.157 -8.220 -21.505 1.00 0.00 C ATOM 807 CD2 TYR A 48 2.103 -10.314 -22.183 1.00 0.00 C ATOM 808 CE1 TYR A 48 4.428 -8.812 -21.649 1.00 0.00 C ATOM 809 CE2 TYR A 48 3.371 -10.906 -22.335 1.00 0.00 C ATOM 810 CZ TYR A 48 4.536 -10.158 -22.060 1.00 0.00 C ATOM 811 OH TYR A 48 5.762 -10.737 -22.177 1.00 0.00 O ATOM 0 H TYR A 48 -1.461 -7.165 -21.292 1.00 0.00 H new ATOM 0 HA TYR A 48 0.798 -6.608 -22.812 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.645 -7.792 -20.608 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.098 -9.167 -21.400 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.074 -7.187 -21.201 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.212 -10.887 -22.393 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.319 -8.236 -21.445 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.452 -11.932 -22.662 1.00 0.00 H new ATOM 0 HH TYR A 48 5.658 -11.667 -22.469 1.00 0.00 H new ATOM 821 N GLU A 49 -1.084 -8.741 -24.398 1.00 0.00 N ATOM 822 CA GLU A 49 -1.163 -9.582 -25.603 1.00 0.00 C ATOM 823 C GLU A 49 -1.198 -8.756 -26.897 1.00 0.00 C ATOM 824 O GLU A 49 -0.563 -9.140 -27.882 1.00 0.00 O ATOM 825 CB GLU A 49 -2.357 -10.544 -25.505 1.00 0.00 C ATOM 826 CG GLU A 49 -2.082 -11.630 -24.453 1.00 0.00 C ATOM 827 CD GLU A 49 -3.268 -12.598 -24.305 1.00 0.00 C ATOM 828 OE1 GLU A 49 -3.494 -13.442 -25.206 1.00 0.00 O ATOM 829 OE2 GLU A 49 -3.969 -12.529 -23.266 1.00 0.00 O ATOM 0 H GLU A 49 -1.969 -8.625 -23.904 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.249 -10.174 -25.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.258 -9.991 -25.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.541 -11.006 -26.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.190 -12.189 -24.733 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.875 -11.160 -23.492 1.00 0.00 H new ATOM 836 N THR A 50 -1.854 -7.590 -26.903 1.00 0.00 N ATOM 837 CA THR A 50 -1.720 -6.631 -28.011 1.00 0.00 C ATOM 838 C THR A 50 -0.370 -5.914 -27.926 1.00 0.00 C ATOM 839 O THR A 50 0.256 -5.663 -28.953 1.00 0.00 O ATOM 840 CB THR A 50 -2.859 -5.601 -28.044 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.111 -6.255 -28.034 1.00 0.00 O ATOM 842 CG2 THR A 50 -2.852 -4.753 -29.316 1.00 0.00 C ATOM 0 H THR A 50 -2.481 -7.286 -26.158 1.00 0.00 H new ATOM 0 HA THR A 50 -1.778 -7.204 -28.936 1.00 0.00 H new ATOM 0 HB THR A 50 -2.706 -4.970 -27.168 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.407 -6.382 -27.108 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.678 -4.043 -29.284 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.909 -4.210 -29.386 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.963 -5.401 -30.186 1.00 0.00 H new ATOM 850 N ILE A 51 0.125 -5.636 -26.710 1.00 0.00 N ATOM 851 CA ILE A 51 1.432 -4.986 -26.520 1.00 0.00 C ATOM 852 C ILE A 51 2.586 -5.776 -27.159 1.00 0.00 C ATOM 853 O ILE A 51 3.404 -5.192 -27.871 1.00 0.00 O ATOM 854 CB ILE A 51 1.653 -4.659 -25.011 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.810 -3.143 -24.770 1.00 0.00 C ATOM 856 CG2 ILE A 51 2.822 -5.387 -24.341 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.435 -2.461 -24.683 1.00 0.00 C ATOM 0 H ILE A 51 -0.362 -5.852 -25.840 1.00 0.00 H new ATOM 0 HA ILE A 51 1.426 -4.038 -27.058 1.00 0.00 H new ATOM 0 HB ILE A 51 0.743 -5.033 -24.541 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.365 -2.972 -23.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.391 -2.699 -25.579 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.886 -5.087 -23.295 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.663 -6.464 -24.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.751 -5.129 -24.850 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.569 -1.393 -24.513 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.107 -2.615 -25.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.133 -2.891 -23.858 1.00 0.00 H new ATOM 869 N THR A 52 2.618 -7.097 -26.951 1.00 0.00 N ATOM 870 CA THR A 52 3.716 -7.944 -27.450 1.00 0.00 C ATOM 871 C THR A 52 3.618 -8.173 -28.962 1.00 0.00 C ATOM 872 O THR A 52 4.635 -8.244 -29.656 1.00 0.00 O ATOM 873 CB THR A 52 3.771 -9.270 -26.660 1.00 0.00 C ATOM 874 OG1 THR A 52 5.046 -9.866 -26.798 1.00 0.00 O ATOM 875 CG2 THR A 52 2.729 -10.316 -27.056 1.00 0.00 C ATOM 0 H THR A 52 1.897 -7.607 -26.440 1.00 0.00 H new ATOM 0 HA THR A 52 4.656 -7.417 -27.284 1.00 0.00 H new ATOM 0 HB THR A 52 3.553 -8.978 -25.633 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.071 -10.705 -26.292 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.856 -11.207 -26.441 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.729 -9.909 -26.904 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.858 -10.579 -28.106 1.00 0.00 H new ATOM 883 N ALA A 53 2.388 -8.214 -29.489 1.00 0.00 N ATOM 884 CA ALA A 53 2.149 -8.377 -30.922 1.00 0.00 C ATOM 885 C ALA A 53 2.303 -7.077 -31.739 1.00 0.00 C ATOM 886 O ALA A 53 2.559 -7.161 -32.944 1.00 0.00 O ATOM 887 CB ALA A 53 0.737 -8.951 -31.091 1.00 0.00 C ATOM 0 H ALA A 53 1.536 -8.135 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 53 2.911 -9.049 -31.317 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.524 -9.086 -32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.672 -9.913 -30.582 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.010 -8.263 -30.660 1.00 0.00 H new ATOM 893 N ARG A 54 2.146 -5.889 -31.117 1.00 0.00 N ATOM 894 CA ARG A 54 2.039 -4.617 -31.881 1.00 0.00 C ATOM 895 C ARG A 54 2.884 -3.442 -31.355 1.00 0.00 C ATOM 896 O ARG A 54 2.664 -2.306 -31.779 1.00 0.00 O ATOM 897 CB ARG A 54 0.546 -4.236 -32.049 1.00 0.00 C ATOM 898 CG ARG A 54 -0.269 -5.273 -32.845 1.00 0.00 C ATOM 899 CD ARG A 54 -1.708 -4.808 -33.110 1.00 0.00 C ATOM 900 NE ARG A 54 -1.773 -3.692 -34.075 1.00 0.00 N ATOM 901 CZ ARG A 54 -2.861 -3.042 -34.453 1.00 0.00 C ATOM 902 NH1 ARG A 54 -4.043 -3.337 -33.988 1.00 0.00 N ATOM 903 NH2 ARG A 54 -2.783 -2.073 -35.319 1.00 0.00 N ATOM 0 H ARG A 54 2.091 -5.779 -30.104 1.00 0.00 H new ATOM 0 HA ARG A 54 2.486 -4.818 -32.855 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.098 -4.113 -31.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.480 -3.271 -32.552 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.227 -5.469 -33.795 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.290 -6.214 -32.296 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.293 -5.646 -33.489 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.165 -4.499 -32.170 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.891 -3.393 -34.491 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.151 -4.091 -33.310 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.860 -2.814 -34.303 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.878 -1.811 -35.711 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.626 -1.576 -35.606 1.00 0.00 H new ATOM 917 N ARG A 55 3.854 -3.685 -30.459 1.00 0.00 N ATOM 918 CA ARG A 55 4.819 -2.691 -29.921 1.00 0.00 C ATOM 919 C ARG A 55 4.115 -1.455 -29.355 1.00 0.00 C ATOM 920 O ARG A 55 4.497 -0.311 -29.604 1.00 0.00 O ATOM 921 CB ARG A 55 5.903 -2.357 -30.970 1.00 0.00 C ATOM 922 CG ARG A 55 6.707 -3.586 -31.423 1.00 0.00 C ATOM 923 CD ARG A 55 7.820 -3.169 -32.393 1.00 0.00 C ATOM 924 NE ARG A 55 8.607 -4.331 -32.849 1.00 0.00 N ATOM 925 CZ ARG A 55 9.671 -4.304 -33.633 1.00 0.00 C ATOM 926 NH1 ARG A 55 10.158 -3.190 -34.105 1.00 0.00 N ATOM 927 NH2 ARG A 55 10.276 -5.410 -33.962 1.00 0.00 N ATOM 0 H ARG A 55 4.000 -4.616 -30.068 1.00 0.00 H new ATOM 0 HA ARG A 55 5.335 -3.140 -29.072 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.430 -1.900 -31.839 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.587 -1.617 -30.554 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.140 -4.085 -30.556 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.045 -4.304 -31.907 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.382 -2.665 -33.255 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.479 -2.451 -31.904 1.00 0.00 H new ATOM 0 HE ARG A 55 8.299 -5.248 -32.526 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.716 -2.301 -33.872 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.981 -3.208 -34.707 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.929 -6.304 -33.614 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.096 -5.382 -34.567 1.00 0.00 H new ATOM 941 N GLN A 56 3.048 -1.711 -28.597 1.00 0.00 N ATOM 942 CA GLN A 56 2.145 -0.649 -28.136 1.00 0.00 C ATOM 943 C GLN A 56 2.634 0.070 -26.861 1.00 0.00 C ATOM 944 O GLN A 56 1.970 0.994 -26.393 1.00 0.00 O ATOM 945 CB GLN A 56 0.707 -1.177 -27.998 1.00 0.00 C ATOM 946 CG GLN A 56 0.071 -1.607 -29.327 1.00 0.00 C ATOM 947 CD GLN A 56 -0.157 -0.437 -30.283 1.00 0.00 C ATOM 948 OE1 GLN A 56 -1.048 0.382 -30.101 1.00 0.00 O ATOM 949 NE2 GLN A 56 0.634 -0.298 -31.326 1.00 0.00 N ATOM 0 H GLN A 56 2.785 -2.647 -28.287 1.00 0.00 H new ATOM 0 HA GLN A 56 2.149 0.121 -28.908 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.707 -2.026 -27.315 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.088 -0.403 -27.544 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.713 -2.344 -29.809 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.882 -2.097 -29.126 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.382 -0.972 -31.492 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.499 0.483 -31.968 1.00 0.00 H new ATOM 958 N TRP A 57 3.809 -0.284 -26.320 1.00 0.00 N ATOM 959 CA TRP A 57 4.452 0.426 -25.201 1.00 0.00 C ATOM 960 C TRP A 57 4.605 1.929 -25.449 1.00 0.00 C ATOM 961 O TRP A 57 4.429 2.728 -24.531 1.00 0.00 O ATOM 962 CB TRP A 57 5.833 -0.172 -24.908 1.00 0.00 C ATOM 963 CG TRP A 57 5.832 -1.608 -24.518 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.156 -2.643 -25.322 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.472 -2.182 -23.227 1.00 0.00 C ATOM 966 NE1 TRP A 57 5.987 -3.823 -24.630 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.525 -3.601 -23.347 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.081 -1.649 -21.977 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.140 -4.449 -22.301 1.00 0.00 C ATOM 970 CZ3 TRP A 57 4.685 -2.493 -20.921 1.00 0.00 C ATOM 971 CH2 TRP A 57 4.686 -3.886 -21.100 1.00 0.00 C ATOM 0 H TRP A 57 4.349 -1.084 -26.652 1.00 0.00 H new ATOM 0 HA TRP A 57 3.790 0.297 -24.344 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.458 -0.053 -25.793 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.299 0.405 -24.109 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.494 -2.560 -26.344 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.179 -4.747 -25.018 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.086 -0.579 -21.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.192 -5.521 -22.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.381 -2.070 -19.975 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.334 -4.528 -20.306 1.00 0.00 H new ATOM 982 N LYS A 58 4.860 2.335 -26.699 1.00 0.00 N ATOM 983 CA LYS A 58 4.923 3.756 -27.087 1.00 0.00 C ATOM 984 C LYS A 58 3.605 4.513 -26.837 1.00 0.00 C ATOM 985 O LYS A 58 3.636 5.721 -26.621 1.00 0.00 O ATOM 986 CB LYS A 58 5.396 3.884 -28.546 1.00 0.00 C ATOM 987 CG LYS A 58 6.752 3.209 -28.844 1.00 0.00 C ATOM 988 CD LYS A 58 7.905 3.666 -27.934 1.00 0.00 C ATOM 989 CE LYS A 58 9.236 3.132 -28.481 1.00 0.00 C ATOM 990 NZ LYS A 58 10.378 3.433 -27.577 1.00 0.00 N ATOM 0 H LYS A 58 5.029 1.691 -27.472 1.00 0.00 H new ATOM 0 HA LYS A 58 5.655 4.238 -26.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.638 3.451 -29.199 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.468 4.942 -28.799 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.635 2.130 -28.747 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.023 3.409 -29.881 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.932 4.754 -27.883 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.746 3.303 -26.919 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.162 2.054 -28.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.426 3.570 -29.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.266 3.404 -28.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.254 4.380 -27.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.414 2.726 -26.815 1.00 0.00 H new ATOM 1004 N HIS A 59 2.469 3.809 -26.766 1.00 0.00 N ATOM 1005 CA HIS A 59 1.192 4.399 -26.345 1.00 0.00 C ATOM 1006 C HIS A 59 0.897 4.193 -24.840 1.00 0.00 C ATOM 1007 O HIS A 59 0.067 4.907 -24.277 1.00 0.00 O ATOM 1008 CB HIS A 59 0.073 3.859 -27.244 1.00 0.00 C ATOM 1009 CG HIS A 59 0.326 4.104 -28.712 1.00 0.00 C ATOM 1010 ND1 HIS A 59 0.197 5.304 -29.376 1.00 0.00 N ATOM 1011 CD2 HIS A 59 0.777 3.188 -29.625 1.00 0.00 C ATOM 1012 CE1 HIS A 59 0.559 5.117 -30.657 1.00 0.00 C ATOM 1013 NE2 HIS A 59 0.924 3.837 -30.859 1.00 0.00 N ATOM 0 H HIS A 59 2.409 2.818 -26.998 1.00 0.00 H new ATOM 0 HA HIS A 59 1.254 5.480 -26.467 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.037 2.788 -27.074 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.870 4.326 -26.961 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.984 2.146 -29.428 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.557 5.885 -31.417 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.243 3.422 -31.734 1.00 0.00 H new ATOM 1021 N ILE A 60 1.599 3.286 -24.145 1.00 0.00 N ATOM 1022 CA ILE A 60 1.590 3.265 -22.671 1.00 0.00 C ATOM 1023 C ILE A 60 2.319 4.529 -22.198 1.00 0.00 C ATOM 1024 O ILE A 60 1.822 5.205 -21.307 1.00 0.00 O ATOM 1025 CB ILE A 60 2.190 1.962 -22.089 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.179 0.814 -22.311 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.529 2.102 -20.590 1.00 0.00 C ATOM 1028 CD1 ILE A 60 1.718 -0.578 -21.964 1.00 0.00 C ATOM 0 H ILE A 60 2.176 2.562 -24.573 1.00 0.00 H new ATOM 0 HA ILE A 60 0.565 3.269 -22.299 1.00 0.00 H new ATOM 0 HB ILE A 60 3.126 1.746 -22.604 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.291 1.007 -21.710 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.865 0.819 -23.355 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.947 1.165 -20.222 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.257 2.902 -20.455 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.623 2.338 -20.032 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.945 -1.324 -22.149 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.588 -0.796 -22.583 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.005 -0.605 -20.913 1.00 0.00 H new ATOM 1040 N TYR A 61 3.420 4.917 -22.858 1.00 0.00 N ATOM 1041 CA TYR A 61 4.071 6.225 -22.679 1.00 0.00 C ATOM 1042 C TYR A 61 3.098 7.401 -22.927 1.00 0.00 C ATOM 1043 O TYR A 61 3.168 8.418 -22.233 1.00 0.00 O ATOM 1044 CB TYR A 61 5.332 6.297 -23.566 1.00 0.00 C ATOM 1045 CG TYR A 61 5.817 7.684 -23.959 1.00 0.00 C ATOM 1046 CD1 TYR A 61 5.218 8.362 -25.042 1.00 0.00 C ATOM 1047 CD2 TYR A 61 6.899 8.276 -23.279 1.00 0.00 C ATOM 1048 CE1 TYR A 61 5.678 9.633 -25.432 1.00 0.00 C ATOM 1049 CE2 TYR A 61 7.372 9.541 -23.680 1.00 0.00 C ATOM 1050 CZ TYR A 61 6.762 10.227 -24.751 1.00 0.00 C ATOM 1051 OH TYR A 61 7.213 11.461 -25.107 1.00 0.00 O ATOM 0 H TYR A 61 3.891 4.323 -23.541 1.00 0.00 H new ATOM 0 HA TYR A 61 4.380 6.324 -21.638 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.143 5.789 -23.045 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.138 5.734 -24.479 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.400 7.901 -25.576 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.365 7.761 -22.452 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.203 10.153 -26.251 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.208 9.989 -23.163 1.00 0.00 H new ATOM 0 HH TYR A 61 7.964 11.714 -24.530 1.00 0.00 H new ATOM 1061 N ASP A 62 2.151 7.247 -23.860 1.00 0.00 N ATOM 1062 CA ASP A 62 1.062 8.221 -24.033 1.00 0.00 C ATOM 1063 C ASP A 62 0.168 8.298 -22.783 1.00 0.00 C ATOM 1064 O ASP A 62 -0.037 9.383 -22.236 1.00 0.00 O ATOM 1065 CB ASP A 62 0.262 7.989 -25.323 1.00 0.00 C ATOM 1066 CG ASP A 62 -0.658 9.187 -25.616 1.00 0.00 C ATOM 1067 OD1 ASP A 62 -0.156 10.232 -26.094 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.886 9.083 -25.384 1.00 0.00 O ATOM 0 H ASP A 62 2.115 6.459 -24.507 1.00 0.00 H new ATOM 0 HA ASP A 62 1.526 9.200 -24.148 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.946 7.836 -26.158 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.334 7.081 -25.229 1.00 0.00 H new ATOM 1073 N GLU A 63 -0.282 7.148 -22.271 1.00 0.00 N ATOM 1074 CA GLU A 63 -1.017 7.092 -20.995 1.00 0.00 C ATOM 1075 C GLU A 63 -0.223 7.585 -19.759 1.00 0.00 C ATOM 1076 O GLU A 63 -0.829 8.149 -18.844 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.551 5.663 -20.796 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.483 5.480 -19.588 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.767 6.329 -19.619 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -4.227 6.754 -20.704 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.403 6.491 -18.549 1.00 0.00 O ATOM 0 H GLU A 63 -0.152 6.240 -22.718 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.840 7.802 -21.071 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.086 5.362 -21.697 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.703 4.986 -20.688 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.763 4.429 -19.521 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.928 5.721 -18.681 1.00 0.00 H new ATOM 1088 N LEU A 64 1.115 7.453 -19.726 1.00 0.00 N ATOM 1089 CA LEU A 64 1.970 8.063 -18.687 1.00 0.00 C ATOM 1090 C LEU A 64 1.922 9.606 -18.696 1.00 0.00 C ATOM 1091 O LEU A 64 2.282 10.236 -17.699 1.00 0.00 O ATOM 1092 CB LEU A 64 3.450 7.625 -18.819 1.00 0.00 C ATOM 1093 CG LEU A 64 3.774 6.128 -18.706 1.00 0.00 C ATOM 1094 CD1 LEU A 64 5.292 5.927 -18.705 1.00 0.00 C ATOM 1095 CD2 LEU A 64 3.193 5.474 -17.451 1.00 0.00 C ATOM 0 H LEU A 64 1.637 6.919 -20.421 1.00 0.00 H new ATOM 0 HA LEU A 64 1.560 7.702 -17.744 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.816 7.973 -19.785 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.022 8.149 -18.053 1.00 0.00 H new ATOM 0 HG LEU A 64 3.312 5.648 -19.569 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.518 4.864 -18.625 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.711 6.318 -19.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.728 6.456 -17.858 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.460 4.417 -17.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.597 5.964 -16.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.108 5.574 -17.458 1.00 0.00 H new ATOM 1107 N GLY A 65 1.506 10.212 -19.817 1.00 0.00 N ATOM 1108 CA GLY A 65 1.634 11.661 -20.013 1.00 0.00 C ATOM 1109 C GLY A 65 3.039 12.060 -20.489 1.00 0.00 C ATOM 1110 O GLY A 65 3.511 13.155 -20.168 1.00 0.00 O ATOM 0 H GLY A 65 1.078 9.720 -20.601 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.897 11.994 -20.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.410 12.174 -19.078 1.00 0.00 H new ATOM 1114 N GLY A 66 3.720 11.164 -21.214 1.00 0.00 N ATOM 1115 CA GLY A 66 5.095 11.394 -21.667 1.00 0.00 C ATOM 1116 C GLY A 66 6.160 11.067 -20.612 1.00 0.00 C ATOM 1117 O GLY A 66 5.879 10.447 -19.582 1.00 0.00 O ATOM 0 H GLY A 66 3.335 10.264 -21.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.280 10.790 -22.555 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.200 12.438 -21.963 1.00 0.00 H new ATOM 1121 N ASN A 67 7.405 11.477 -20.879 1.00 0.00 N ATOM 1122 CA ASN A 67 8.567 11.241 -20.013 1.00 0.00 C ATOM 1123 C ASN A 67 9.636 12.352 -20.199 1.00 0.00 C ATOM 1124 O ASN A 67 9.824 12.804 -21.333 1.00 0.00 O ATOM 1125 CB ASN A 67 9.132 9.854 -20.380 1.00 0.00 C ATOM 1126 CG ASN A 67 10.161 9.358 -19.387 1.00 0.00 C ATOM 1127 OD1 ASN A 67 11.334 9.688 -19.472 1.00 0.00 O ATOM 1128 ND2 ASN A 67 9.745 8.559 -18.435 1.00 0.00 N ATOM 0 H ASN A 67 7.639 11.996 -21.725 1.00 0.00 H new ATOM 0 HA ASN A 67 8.275 11.267 -18.963 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.313 9.137 -20.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.583 9.901 -21.371 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.406 8.200 -17.746 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.761 8.297 -18.383 1.00 0.00 H new ATOM 1135 N PRO A 68 10.373 12.781 -19.148 1.00 0.00 N ATOM 1136 CA PRO A 68 11.469 13.766 -19.235 1.00 0.00 C ATOM 1137 C PRO A 68 12.662 13.436 -20.160 1.00 0.00 C ATOM 1138 O PRO A 68 13.557 14.274 -20.313 1.00 0.00 O ATOM 1139 CB PRO A 68 11.968 13.954 -17.797 1.00 0.00 C ATOM 1140 CG PRO A 68 10.749 13.615 -16.953 1.00 0.00 C ATOM 1141 CD PRO A 68 10.110 12.478 -17.746 1.00 0.00 C ATOM 0 HA PRO A 68 11.052 14.658 -19.703 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.807 13.295 -17.574 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.308 14.974 -17.620 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.026 13.303 -15.946 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.077 14.467 -16.849 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.539 11.516 -17.466 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.039 12.419 -17.552 1.00 0.00 H new ATOM 1149 N GLY A 69 12.706 12.246 -20.769 1.00 0.00 N ATOM 1150 CA GLY A 69 13.794 11.863 -21.685 1.00 0.00 C ATOM 1151 C GLY A 69 13.506 10.625 -22.545 1.00 0.00 C ATOM 1152 O GLY A 69 14.118 10.468 -23.603 1.00 0.00 O ATOM 0 H GLY A 69 11.996 11.524 -20.645 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.008 12.704 -22.344 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.695 11.680 -21.100 1.00 0.00 H new ATOM 1156 N SER A 70 12.596 9.750 -22.086 1.00 0.00 N ATOM 1157 CA SER A 70 12.310 8.459 -22.749 1.00 0.00 C ATOM 1158 C SER A 70 13.518 7.517 -22.760 1.00 0.00 C ATOM 1159 O SER A 70 13.575 6.547 -23.517 1.00 0.00 O ATOM 1160 CB SER A 70 11.712 8.621 -24.152 1.00 0.00 C ATOM 1161 OG SER A 70 10.625 9.533 -24.141 1.00 0.00 O ATOM 0 H SER A 70 12.038 9.913 -21.248 1.00 0.00 H new ATOM 0 HA SER A 70 11.543 7.988 -22.135 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.480 8.974 -24.840 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.375 7.652 -24.521 1.00 0.00 H new ATOM 0 HG SER A 70 9.792 9.047 -23.964 1.00 0.00 H new ATOM 1167 N THR A 71 14.494 7.811 -21.901 1.00 0.00 N ATOM 1168 CA THR A 71 15.771 7.110 -21.791 1.00 0.00 C ATOM 1169 C THR A 71 15.634 5.693 -21.220 1.00 0.00 C ATOM 1170 O THR A 71 16.514 4.858 -21.434 1.00 0.00 O ATOM 1171 CB THR A 71 16.747 7.933 -20.931 1.00 0.00 C ATOM 1172 OG1 THR A 71 16.099 8.409 -19.766 1.00 0.00 O ATOM 1173 CG2 THR A 71 17.267 9.157 -21.687 1.00 0.00 C ATOM 0 H THR A 71 14.411 8.578 -21.234 1.00 0.00 H new ATOM 0 HA THR A 71 16.161 7.003 -22.803 1.00 0.00 H new ATOM 0 HB THR A 71 17.575 7.271 -20.678 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.732 8.929 -19.229 1.00 0.00 H new ATOM 0 HG21 THR A 71 17.953 9.714 -21.049 1.00 0.00 H new ATOM 0 HG22 THR A 71 17.790 8.834 -22.587 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.429 9.797 -21.964 1.00 0.00 H new ATOM 1181 N SER A 72 14.519 5.413 -20.531 1.00 0.00 N ATOM 1182 CA SER A 72 14.211 4.129 -19.875 1.00 0.00 C ATOM 1183 C SER A 72 12.758 4.041 -19.372 1.00 0.00 C ATOM 1184 O SER A 72 12.480 3.634 -18.243 1.00 0.00 O ATOM 1185 CB SER A 72 15.234 3.799 -18.767 1.00 0.00 C ATOM 1186 OG SER A 72 15.415 4.879 -17.861 1.00 0.00 O ATOM 0 H SER A 72 13.776 6.101 -20.409 1.00 0.00 H new ATOM 0 HA SER A 72 14.303 3.361 -20.643 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.900 2.919 -18.218 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.191 3.546 -19.223 1.00 0.00 H new ATOM 0 HG SER A 72 16.069 4.626 -17.176 1.00 0.00 H new ATOM 1192 N ALA A 73 11.811 4.397 -20.247 1.00 0.00 N ATOM 1193 CA ALA A 73 10.388 4.153 -20.000 1.00 0.00 C ATOM 1194 C ALA A 73 9.732 3.593 -21.268 1.00 0.00 C ATOM 1195 O ALA A 73 10.301 3.698 -22.358 1.00 0.00 O ATOM 1196 CB ALA A 73 9.726 5.449 -19.521 1.00 0.00 C ATOM 0 H ALA A 73 12.007 4.857 -21.136 1.00 0.00 H new ATOM 0 HA ALA A 73 10.260 3.408 -19.214 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.667 5.270 -19.337 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.203 5.782 -18.600 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.836 6.218 -20.286 1.00 0.00 H new ATOM 1202 N ALA A 74 8.552 2.986 -21.112 1.00 0.00 N ATOM 1203 CA ALA A 74 7.848 2.159 -22.096 1.00 0.00 C ATOM 1204 C ALA A 74 8.652 0.927 -22.562 1.00 0.00 C ATOM 1205 O ALA A 74 8.258 -0.206 -22.283 1.00 0.00 O ATOM 1206 CB ALA A 74 7.330 3.044 -23.240 1.00 0.00 C ATOM 0 H ALA A 74 8.030 3.064 -20.239 1.00 0.00 H new ATOM 0 HA ALA A 74 6.982 1.713 -21.607 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.807 2.426 -23.970 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.645 3.792 -22.840 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.170 3.543 -23.723 1.00 0.00 H new ATOM 1212 N THR A 75 9.807 1.113 -23.204 1.00 0.00 N ATOM 1213 CA THR A 75 10.610 -0.008 -23.718 1.00 0.00 C ATOM 1214 C THR A 75 11.355 -0.742 -22.593 1.00 0.00 C ATOM 1215 O THR A 75 11.544 -1.956 -22.675 1.00 0.00 O ATOM 1216 CB THR A 75 11.583 0.500 -24.796 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.854 1.200 -25.789 1.00 0.00 O ATOM 1218 CG2 THR A 75 12.346 -0.610 -25.516 1.00 0.00 C ATOM 0 H THR A 75 10.212 2.032 -23.383 1.00 0.00 H new ATOM 0 HA THR A 75 9.934 -0.734 -24.169 1.00 0.00 H new ATOM 0 HB THR A 75 12.304 1.127 -24.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.310 1.112 -26.652 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.011 -0.171 -26.260 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.934 -1.176 -24.793 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.639 -1.277 -26.010 1.00 0.00 H new ATOM 1226 N CYS A 76 11.714 -0.054 -21.500 1.00 0.00 N ATOM 1227 CA CYS A 76 12.206 -0.710 -20.277 1.00 0.00 C ATOM 1228 C CYS A 76 11.046 -1.211 -19.397 1.00 0.00 C ATOM 1229 O CYS A 76 11.186 -2.233 -18.725 1.00 0.00 O ATOM 1230 CB CYS A 76 13.111 0.250 -19.494 1.00 0.00 C ATOM 1231 SG CYS A 76 14.603 0.606 -20.470 1.00 0.00 S ATOM 0 H CYS A 76 11.673 0.963 -21.437 1.00 0.00 H new ATOM 0 HA CYS A 76 12.788 -1.583 -20.571 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.577 1.175 -19.276 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.386 -0.192 -18.537 1.00 0.00 H new ATOM 0 HG CYS A 76 15.462 1.244 -19.732 1.00 0.00 H new ATOM 1237 N THR A 77 9.876 -0.557 -19.472 1.00 0.00 N ATOM 1238 CA THR A 77 8.659 -1.016 -18.773 1.00 0.00 C ATOM 1239 C THR A 77 8.284 -2.448 -19.165 1.00 0.00 C ATOM 1240 O THR A 77 7.874 -3.223 -18.300 1.00 0.00 O ATOM 1241 CB THR A 77 7.480 -0.068 -19.046 1.00 0.00 C ATOM 1242 OG1 THR A 77 7.900 1.269 -18.879 1.00 0.00 O ATOM 1243 CG2 THR A 77 6.293 -0.274 -18.111 1.00 0.00 C ATOM 0 H THR A 77 9.744 0.298 -20.013 1.00 0.00 H new ATOM 0 HA THR A 77 8.880 -1.007 -17.706 1.00 0.00 H new ATOM 0 HB THR A 77 7.159 -0.287 -20.064 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.120 1.862 -18.897 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.502 0.431 -18.366 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.919 -1.292 -18.217 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.608 -0.108 -17.081 1.00 0.00 H new ATOM 1251 N ARG A 78 8.536 -2.839 -20.429 1.00 0.00 N ATOM 1252 CA ARG A 78 8.354 -4.217 -20.891 1.00 0.00 C ATOM 1253 C ARG A 78 9.094 -5.203 -20.018 1.00 0.00 C ATOM 1254 O ARG A 78 8.547 -6.257 -19.695 1.00 0.00 O ATOM 1255 CB ARG A 78 8.848 -4.314 -22.353 1.00 0.00 C ATOM 1256 CG ARG A 78 9.042 -5.735 -22.914 1.00 0.00 C ATOM 1257 CD ARG A 78 7.800 -6.634 -22.862 1.00 0.00 C ATOM 1258 NE ARG A 78 8.171 -8.034 -23.127 1.00 0.00 N ATOM 1259 CZ ARG A 78 7.726 -8.851 -24.059 1.00 0.00 C ATOM 1260 NH1 ARG A 78 6.783 -8.521 -24.896 1.00 0.00 N ATOM 1261 NH2 ARG A 78 8.265 -10.028 -24.147 1.00 0.00 N ATOM 0 H ARG A 78 8.871 -2.204 -21.154 1.00 0.00 H new ATOM 0 HA ARG A 78 7.296 -4.472 -20.832 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.137 -3.789 -22.990 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.797 -3.783 -22.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.371 -5.657 -23.950 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.845 -6.220 -22.360 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.326 -6.555 -21.883 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.069 -6.299 -23.598 1.00 0.00 H new ATOM 0 HE ARG A 78 8.872 -8.427 -22.499 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.357 -7.596 -24.845 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.471 -9.188 -25.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.011 -10.297 -23.505 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.943 -10.685 -24.858 1.00 0.00 H new ATOM 1275 N ARG A 79 10.337 -4.891 -19.638 1.00 0.00 N ATOM 1276 CA ARG A 79 11.207 -5.861 -18.989 1.00 0.00 C ATOM 1277 C ARG A 79 10.771 -6.124 -17.551 1.00 0.00 C ATOM 1278 O ARG A 79 10.819 -7.262 -17.089 1.00 0.00 O ATOM 1279 CB ARG A 79 12.671 -5.378 -19.032 1.00 0.00 C ATOM 1280 CG ARG A 79 13.172 -5.030 -20.445 1.00 0.00 C ATOM 1281 CD ARG A 79 14.592 -4.456 -20.386 1.00 0.00 C ATOM 1282 NE ARG A 79 15.032 -3.986 -21.715 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.099 -3.253 -21.980 1.00 0.00 C ATOM 1284 NH1 ARG A 79 16.925 -2.864 -21.049 1.00 0.00 N ATOM 1285 NH2 ARG A 79 16.362 -2.890 -23.202 1.00 0.00 N ATOM 0 H ARG A 79 10.758 -3.972 -19.771 1.00 0.00 H new ATOM 0 HA ARG A 79 11.130 -6.801 -19.535 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.772 -4.500 -18.395 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.311 -6.153 -18.611 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.160 -5.922 -21.071 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.500 -4.307 -20.907 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.624 -3.630 -19.676 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.280 -5.218 -20.020 1.00 0.00 H new ATOM 0 HE ARG A 79 14.453 -4.255 -22.510 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.758 -3.125 -20.077 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.738 -2.299 -21.293 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.743 -3.171 -23.962 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.187 -2.324 -23.400 1.00 0.00 H new ATOM 1299 N HIS A 80 10.290 -5.077 -16.878 1.00 0.00 N ATOM 1300 CA HIS A 80 9.626 -5.191 -15.581 1.00 0.00 C ATOM 1301 C HIS A 80 8.330 -6.005 -15.742 1.00 0.00 C ATOM 1302 O HIS A 80 8.097 -6.956 -14.999 1.00 0.00 O ATOM 1303 CB HIS A 80 9.327 -3.796 -14.990 1.00 0.00 C ATOM 1304 CG HIS A 80 10.401 -2.740 -15.158 1.00 0.00 C ATOM 1305 ND1 HIS A 80 10.175 -1.385 -15.274 1.00 0.00 N ATOM 1306 CD2 HIS A 80 11.756 -2.924 -15.263 1.00 0.00 C ATOM 1307 CE1 HIS A 80 11.356 -0.772 -15.465 1.00 0.00 C ATOM 1308 NE2 HIS A 80 12.352 -1.674 -15.468 1.00 0.00 N ATOM 0 H HIS A 80 10.352 -4.119 -17.222 1.00 0.00 H new ATOM 0 HA HIS A 80 10.289 -5.707 -14.886 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.409 -3.423 -15.445 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.129 -3.913 -13.925 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.266 -0.925 -15.223 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.274 -3.870 -15.199 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.486 0.292 -15.597 1.00 0.00 H new ATOM 1316 N TYR A 81 7.512 -5.682 -16.754 1.00 0.00 N ATOM 1317 CA TYR A 81 6.184 -6.270 -16.926 1.00 0.00 C ATOM 1318 C TYR A 81 6.209 -7.795 -17.090 1.00 0.00 C ATOM 1319 O TYR A 81 5.440 -8.505 -16.435 1.00 0.00 O ATOM 1320 CB TYR A 81 5.450 -5.600 -18.099 1.00 0.00 C ATOM 1321 CG TYR A 81 3.934 -5.753 -18.085 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.328 -7.003 -18.331 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.120 -4.626 -17.847 1.00 0.00 C ATOM 1324 CE1 TYR A 81 1.927 -7.136 -18.287 1.00 0.00 C ATOM 1325 CE2 TYR A 81 1.717 -4.745 -17.847 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.115 -6.003 -18.054 1.00 0.00 C ATOM 1327 OH TYR A 81 -0.242 -6.118 -18.032 1.00 0.00 O ATOM 0 H TYR A 81 7.757 -5.004 -17.475 1.00 0.00 H new ATOM 0 HA TYR A 81 5.636 -6.078 -16.003 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.692 -4.537 -18.100 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.833 -6.015 -19.031 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.942 -7.863 -18.554 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.576 -3.665 -17.663 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.472 -8.105 -18.431 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.101 -3.872 -17.688 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.642 -5.240 -17.858 1.00 0.00 H new ATOM 1337 N GLU A 82 7.117 -8.330 -17.914 1.00 0.00 N ATOM 1338 CA GLU A 82 7.128 -9.754 -18.255 1.00 0.00 C ATOM 1339 C GLU A 82 7.618 -10.640 -17.099 1.00 0.00 C ATOM 1340 O GLU A 82 7.553 -11.868 -17.205 1.00 0.00 O ATOM 1341 CB GLU A 82 7.888 -10.011 -19.567 1.00 0.00 C ATOM 1342 CG GLU A 82 9.390 -9.708 -19.548 1.00 0.00 C ATOM 1343 CD GLU A 82 10.067 -10.379 -20.755 1.00 0.00 C ATOM 1344 OE1 GLU A 82 9.957 -9.853 -21.889 1.00 0.00 O ATOM 1345 OE2 GLU A 82 10.675 -11.462 -20.568 1.00 0.00 O ATOM 0 H GLU A 82 7.859 -7.791 -18.360 1.00 0.00 H new ATOM 0 HA GLU A 82 6.092 -10.048 -18.425 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.753 -11.057 -19.842 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.427 -9.412 -20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.554 -8.631 -19.578 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.833 -10.072 -18.621 1.00 0.00 H new ATOM 1352 N ARG A 83 8.072 -10.033 -15.988 1.00 0.00 N ATOM 1353 CA ARG A 83 8.498 -10.783 -14.800 1.00 0.00 C ATOM 1354 C ARG A 83 7.897 -10.305 -13.465 1.00 0.00 C ATOM 1355 O ARG A 83 8.179 -10.915 -12.437 1.00 0.00 O ATOM 1356 CB ARG A 83 10.043 -10.831 -14.760 1.00 0.00 C ATOM 1357 CG ARG A 83 10.598 -12.176 -14.254 1.00 0.00 C ATOM 1358 CD ARG A 83 10.508 -13.307 -15.295 1.00 0.00 C ATOM 1359 NE ARG A 83 11.489 -13.121 -16.385 1.00 0.00 N ATOM 1360 CZ ARG A 83 11.248 -12.847 -17.656 1.00 0.00 C ATOM 1361 NH1 ARG A 83 10.060 -12.755 -18.167 1.00 0.00 N ATOM 1362 NH2 ARG A 83 12.214 -12.625 -18.495 1.00 0.00 N ATOM 0 H ARG A 83 8.152 -9.021 -15.891 1.00 0.00 H new ATOM 0 HA ARG A 83 8.092 -11.789 -14.906 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.432 -10.639 -15.760 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.408 -10.030 -14.117 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.640 -12.044 -13.962 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.051 -12.472 -13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.682 -14.266 -14.807 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.501 -13.340 -15.712 1.00 0.00 H new ATOM 0 HE ARG A 83 12.471 -13.215 -16.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.239 -12.897 -17.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.946 -12.540 -19.158 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.183 -12.660 -18.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.004 -12.416 -19.471 1.00 0.00 H new ATOM 1376 N LEU A 84 7.058 -9.260 -13.468 1.00 0.00 N ATOM 1377 CA LEU A 84 6.552 -8.647 -12.220 1.00 0.00 C ATOM 1378 C LEU A 84 5.053 -8.298 -12.271 1.00 0.00 C ATOM 1379 O LEU A 84 4.513 -7.689 -11.351 1.00 0.00 O ATOM 1380 CB LEU A 84 7.460 -7.441 -11.910 1.00 0.00 C ATOM 1381 CG LEU A 84 7.400 -6.853 -10.490 1.00 0.00 C ATOM 1382 CD1 LEU A 84 7.694 -7.868 -9.384 1.00 0.00 C ATOM 1383 CD2 LEU A 84 8.452 -5.751 -10.407 1.00 0.00 C ATOM 0 H LEU A 84 6.712 -8.817 -14.319 1.00 0.00 H new ATOM 0 HA LEU A 84 6.603 -9.367 -11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.490 -7.736 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.215 -6.646 -12.614 1.00 0.00 H new ATOM 0 HG LEU A 84 6.383 -6.496 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.632 -7.376 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.964 -8.676 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.696 -8.276 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.439 -5.309 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.438 -6.173 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.233 -4.982 -11.148 1.00 0.00 H new ATOM 1395 N ILE A 85 4.376 -8.721 -13.343 1.00 0.00 N ATOM 1396 CA ILE A 85 2.919 -8.564 -13.476 1.00 0.00 C ATOM 1397 C ILE A 85 2.312 -9.577 -14.451 1.00 0.00 C ATOM 1398 O ILE A 85 1.226 -10.091 -14.184 1.00 0.00 O ATOM 1399 CB ILE A 85 2.547 -7.093 -13.782 1.00 0.00 C ATOM 1400 CG1 ILE A 85 1.137 -6.970 -14.393 1.00 0.00 C ATOM 1401 CG2 ILE A 85 3.547 -6.374 -14.692 1.00 0.00 C ATOM 1402 CD1 ILE A 85 0.606 -5.542 -14.406 1.00 0.00 C ATOM 0 H ILE A 85 4.817 -9.180 -14.140 1.00 0.00 H new ATOM 0 HA ILE A 85 2.462 -8.799 -12.515 1.00 0.00 H new ATOM 0 HB ILE A 85 2.573 -6.601 -12.810 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.157 -7.352 -15.414 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.449 -7.601 -13.830 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.216 -5.349 -14.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.529 -6.365 -14.219 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.609 -6.895 -15.647 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.390 -5.528 -14.849 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.554 -5.164 -13.385 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.273 -4.911 -14.993 1.00 0.00 H new ATOM 1414 N LEU A 86 3.030 -9.959 -15.512 1.00 0.00 N ATOM 1415 CA LEU A 86 2.683 -11.126 -16.331 1.00 0.00 C ATOM 1416 C LEU A 86 2.459 -12.394 -15.461 1.00 0.00 C ATOM 1417 O LEU A 86 1.481 -13.099 -15.707 1.00 0.00 O ATOM 1418 CB LEU A 86 3.759 -11.277 -17.426 1.00 0.00 C ATOM 1419 CG LEU A 86 3.558 -12.342 -18.524 1.00 0.00 C ATOM 1420 CD1 LEU A 86 3.910 -13.760 -18.069 1.00 0.00 C ATOM 1421 CD2 LEU A 86 2.149 -12.332 -19.114 1.00 0.00 C ATOM 0 H LEU A 86 3.867 -9.469 -15.827 1.00 0.00 H new ATOM 0 HA LEU A 86 1.723 -10.982 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.866 -10.311 -17.919 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.707 -11.489 -16.931 1.00 0.00 H new ATOM 0 HG LEU A 86 4.262 -12.054 -19.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.745 -14.457 -18.891 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.957 -13.796 -17.767 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.279 -14.038 -17.225 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.070 -13.103 -19.881 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.423 -12.529 -18.325 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.947 -11.357 -19.558 1.00 0.00 H new ATOM 1433 N PRO A 87 3.249 -12.670 -14.394 1.00 0.00 N ATOM 1434 CA PRO A 87 2.927 -13.731 -13.432 1.00 0.00 C ATOM 1435 C PRO A 87 1.688 -13.496 -12.540 1.00 0.00 C ATOM 1436 O PRO A 87 1.140 -14.485 -12.048 1.00 0.00 O ATOM 1437 CB PRO A 87 4.189 -13.932 -12.581 1.00 0.00 C ATOM 1438 CG PRO A 87 4.951 -12.620 -12.732 1.00 0.00 C ATOM 1439 CD PRO A 87 4.620 -12.219 -14.165 1.00 0.00 C ATOM 0 HA PRO A 87 2.642 -14.617 -13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.940 -14.131 -11.539 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.778 -14.778 -12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.619 -11.871 -12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 87 6.023 -12.752 -12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.705 -11.141 -14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.308 -12.684 -14.871 1.00 0.00 H new ATOM 1447 N TYR A 88 1.208 -12.257 -12.321 1.00 0.00 N ATOM 1448 CA TYR A 88 -0.001 -12.019 -11.507 1.00 0.00 C ATOM 1449 C TYR A 88 -1.290 -12.060 -12.330 1.00 0.00 C ATOM 1450 O TYR A 88 -2.264 -12.660 -11.884 1.00 0.00 O ATOM 1451 CB TYR A 88 0.128 -10.773 -10.596 1.00 0.00 C ATOM 1452 CG TYR A 88 -0.408 -9.413 -11.048 1.00 0.00 C ATOM 1453 CD1 TYR A 88 -1.765 -9.232 -11.403 1.00 0.00 C ATOM 1454 CD2 TYR A 88 0.428 -8.280 -10.974 1.00 0.00 C ATOM 1455 CE1 TYR A 88 -2.251 -7.968 -11.791 1.00 0.00 C ATOM 1456 CE2 TYR A 88 -0.066 -7.005 -11.315 1.00 0.00 C ATOM 1457 CZ TYR A 88 -1.398 -6.848 -11.744 1.00 0.00 C ATOM 1458 OH TYR A 88 -1.876 -5.607 -12.020 1.00 0.00 O ATOM 0 H TYR A 88 1.636 -11.409 -12.694 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.082 -12.863 -10.821 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.363 -11.013 -9.653 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.188 -10.643 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.439 -10.076 -11.376 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.454 -8.390 -10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.273 -7.858 -12.123 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.581 -6.143 -11.247 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.228 -5.588 -12.935 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.311 -11.497 -13.544 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.533 -11.508 -14.379 1.00 0.00 C ATOM 1470 C GLU A 89 -3.053 -12.935 -14.672 1.00 0.00 C ATOM 1471 O GLU A 89 -4.245 -13.139 -14.911 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.344 -10.663 -15.654 1.00 0.00 C ATOM 1473 CG GLU A 89 -1.373 -11.239 -16.699 1.00 0.00 C ATOM 1474 CD GLU A 89 -2.096 -11.974 -17.844 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -2.521 -11.306 -18.817 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -2.237 -13.219 -17.791 1.00 0.00 O ATOM 0 H GLU A 89 -0.510 -11.032 -13.972 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.323 -11.035 -13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.317 -10.528 -16.125 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.990 -9.674 -15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.772 -10.430 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.685 -11.928 -16.208 1.00 0.00 H new ATOM 1483 N ARG A 90 -2.172 -13.934 -14.499 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.573 -15.348 -14.528 1.00 0.00 C ATOM 1485 C ARG A 90 -3.743 -15.667 -13.597 1.00 0.00 C ATOM 1486 O ARG A 90 -4.613 -16.445 -13.990 1.00 0.00 O ATOM 1487 CB ARG A 90 -1.383 -16.268 -14.202 1.00 0.00 C ATOM 1488 CG ARG A 90 -0.101 -16.029 -15.019 1.00 0.00 C ATOM 1489 CD ARG A 90 -0.315 -15.863 -16.529 1.00 0.00 C ATOM 1490 NE ARG A 90 -1.016 -17.021 -17.117 1.00 0.00 N ATOM 1491 CZ ARG A 90 -2.041 -17.005 -17.951 1.00 0.00 C ATOM 1492 NH1 ARG A 90 -2.615 -15.911 -18.367 1.00 0.00 N ATOM 1493 NH2 ARG A 90 -2.527 -18.129 -18.392 1.00 0.00 N ATOM 0 H ARG A 90 -1.176 -13.787 -14.337 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.913 -15.536 -15.546 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.142 -16.156 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.697 -17.301 -14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.394 -15.136 -14.637 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.578 -16.865 -14.853 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.891 -14.957 -16.716 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.650 -15.735 -17.020 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.669 -17.942 -16.848 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.275 -15.004 -18.048 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.404 -15.962 -19.012 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.117 -19.014 -18.094 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.318 -18.125 -19.036 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.839 -15.062 -12.406 1.00 0.00 N ATOM 1508 CA PHE A 91 -4.984 -15.341 -11.528 1.00 0.00 C ATOM 1509 C PHE A 91 -6.336 -14.836 -12.068 1.00 0.00 C ATOM 1510 O PHE A 91 -7.347 -15.475 -11.781 1.00 0.00 O ATOM 1511 CB PHE A 91 -4.709 -14.944 -10.060 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.431 -13.485 -9.726 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.399 -12.491 -9.968 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -3.228 -13.129 -9.081 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.128 -11.144 -9.666 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -2.970 -11.787 -8.751 1.00 0.00 C ATOM 1517 CZ PHE A 91 -3.904 -10.792 -9.078 1.00 0.00 C ATOM 0 H PHE A 91 -3.161 -14.396 -12.036 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.096 -16.425 -11.531 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.569 -15.258 -9.468 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.855 -15.528 -9.716 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.356 -12.765 -10.388 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.502 -13.891 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.861 -10.382 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.053 -11.522 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.680 -9.755 -8.877 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.390 -13.797 -12.920 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.649 -13.378 -13.561 1.00 0.00 C ATOM 1529 C ILE A 92 -7.951 -14.125 -14.862 1.00 0.00 C ATOM 1530 O ILE A 92 -9.040 -13.959 -15.417 1.00 0.00 O ATOM 1531 CB ILE A 92 -7.744 -11.841 -13.722 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -6.518 -11.187 -14.392 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -8.053 -11.180 -12.370 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -6.708 -9.711 -14.759 1.00 0.00 C ATOM 0 H ILE A 92 -5.580 -13.234 -13.180 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.441 -13.671 -12.871 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.568 -11.667 -14.414 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.663 -11.275 -13.721 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.273 -11.745 -15.296 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.117 -10.100 -12.499 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.002 -11.557 -11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.259 -11.414 -11.661 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.798 -9.332 -15.224 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.540 -9.614 -15.456 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.921 -9.136 -13.858 1.00 0.00 H new ATOM 1546 N LYS A 93 -7.017 -14.968 -15.326 1.00 0.00 N ATOM 1547 CA LYS A 93 -7.115 -15.550 -16.672 1.00 0.00 C ATOM 1548 C LYS A 93 -6.810 -17.048 -16.803 1.00 0.00 C ATOM 1549 O LYS A 93 -7.008 -17.597 -17.888 1.00 0.00 O ATOM 1550 CB LYS A 93 -6.250 -14.686 -17.604 1.00 0.00 C ATOM 1551 CG LYS A 93 -6.885 -13.324 -17.944 1.00 0.00 C ATOM 1552 CD LYS A 93 -5.913 -12.355 -18.627 1.00 0.00 C ATOM 1553 CE LYS A 93 -5.442 -12.861 -19.995 1.00 0.00 C ATOM 1554 NZ LYS A 93 -4.526 -11.889 -20.631 1.00 0.00 N ATOM 0 H LYS A 93 -6.195 -15.259 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.167 -15.527 -16.957 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.280 -14.519 -17.135 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.067 -15.234 -18.528 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.745 -13.484 -18.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.259 -12.867 -17.028 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.397 -11.386 -18.749 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.047 -12.200 -17.983 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.937 -13.820 -19.878 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.304 -13.031 -20.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.247 -12.238 -21.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.007 -10.972 -20.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.678 -11.772 -20.040 1.00 0.00 H new ATOM 1568 N GLY A 94 -6.405 -17.739 -15.735 1.00 0.00 N ATOM 1569 CA GLY A 94 -6.241 -19.202 -15.776 1.00 0.00 C ATOM 1570 C GLY A 94 -5.812 -19.900 -14.483 1.00 0.00 C ATOM 1571 O GLY A 94 -5.803 -21.130 -14.452 1.00 0.00 O ATOM 0 H GLY A 94 -6.184 -17.316 -14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.187 -19.638 -16.096 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.506 -19.437 -16.545 1.00 0.00 H new ATOM 1575 N GLU A 95 -5.470 -19.163 -13.419 1.00 0.00 N ATOM 1576 CA GLU A 95 -4.836 -19.744 -12.210 1.00 0.00 C ATOM 1577 C GLU A 95 -5.523 -19.374 -10.882 1.00 0.00 C ATOM 1578 O GLU A 95 -4.988 -19.601 -9.795 1.00 0.00 O ATOM 1579 CB GLU A 95 -3.317 -19.469 -12.216 1.00 0.00 C ATOM 1580 CG GLU A 95 -2.613 -20.190 -13.381 1.00 0.00 C ATOM 1581 CD GLU A 95 -1.074 -20.119 -13.296 1.00 0.00 C ATOM 1582 OE1 GLU A 95 -0.491 -20.533 -12.263 1.00 0.00 O ATOM 1583 OE2 GLU A 95 -0.430 -19.693 -14.286 1.00 0.00 O ATOM 0 H GLU A 95 -5.620 -18.156 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.983 -20.822 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.142 -18.396 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.884 -19.796 -11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.922 -21.235 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.939 -19.750 -14.323 1.00 0.00 H new ATOM 1590 N GLU A 96 -6.743 -18.847 -10.979 1.00 0.00 N ATOM 1591 CA GLU A 96 -7.686 -18.641 -9.862 1.00 0.00 C ATOM 1592 C GLU A 96 -9.128 -18.394 -10.357 1.00 0.00 C ATOM 1593 O GLU A 96 -10.089 -18.811 -9.709 1.00 0.00 O ATOM 1594 CB GLU A 96 -7.237 -17.472 -8.965 1.00 0.00 C ATOM 1595 CG GLU A 96 -7.887 -17.544 -7.580 1.00 0.00 C ATOM 1596 CD GLU A 96 -7.348 -16.444 -6.646 1.00 0.00 C ATOM 1597 OE1 GLU A 96 -7.933 -15.334 -6.606 1.00 0.00 O ATOM 1598 OE2 GLU A 96 -6.349 -16.688 -5.925 1.00 0.00 O ATOM 0 H GLU A 96 -7.125 -18.536 -11.872 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.682 -19.561 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.152 -17.489 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.497 -16.526 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.968 -17.442 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.698 -18.523 -7.139 1.00 0.00 H new ATOM 1605 N ASP A 97 -9.278 -17.768 -11.533 1.00 0.00 N ATOM 1606 CA ASP A 97 -10.597 -17.507 -12.139 1.00 0.00 C ATOM 1607 C ASP A 97 -11.459 -18.762 -12.408 1.00 0.00 C ATOM 1608 O ASP A 97 -12.689 -18.653 -12.459 1.00 0.00 O ATOM 1609 CB ASP A 97 -10.355 -16.726 -13.443 1.00 0.00 C ATOM 1610 CG ASP A 97 -11.653 -16.327 -14.166 1.00 0.00 C ATOM 1611 OD1 ASP A 97 -12.403 -15.468 -13.642 1.00 0.00 O ATOM 1612 OD2 ASP A 97 -11.909 -16.858 -15.275 1.00 0.00 O ATOM 0 H ASP A 97 -8.494 -17.429 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.182 -16.937 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.782 -15.827 -13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.746 -17.333 -14.113 1.00 0.00 H new ATOM 1617 N LYS A 98 -10.834 -19.945 -12.556 1.00 0.00 N ATOM 1618 CA LYS A 98 -11.545 -21.197 -12.865 1.00 0.00 C ATOM 1619 C LYS A 98 -10.990 -22.385 -12.054 1.00 0.00 C ATOM 1620 O LYS A 98 -9.767 -22.500 -11.930 1.00 0.00 O ATOM 1621 CB LYS A 98 -11.450 -21.502 -14.375 1.00 0.00 C ATOM 1622 CG LYS A 98 -12.113 -20.426 -15.249 1.00 0.00 C ATOM 1623 CD LYS A 98 -12.037 -20.770 -16.743 1.00 0.00 C ATOM 1624 CE LYS A 98 -12.755 -19.723 -17.608 1.00 0.00 C ATOM 1625 NZ LYS A 98 -12.079 -18.398 -17.589 1.00 0.00 N ATOM 0 H LYS A 98 -9.824 -20.058 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.590 -21.061 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.401 -21.594 -14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.920 -22.465 -14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.157 -20.314 -14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.627 -19.466 -15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.993 -20.838 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -12.483 -21.750 -16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.810 -20.083 -18.635 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.780 -19.608 -17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.501 -17.783 -18.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.197 -17.961 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.066 -18.522 -17.788 1.00 0.00 H new ATOM 1639 N PRO A 99 -11.845 -23.297 -11.544 1.00 0.00 N ATOM 1640 CA PRO A 99 -11.445 -24.502 -10.804 1.00 0.00 C ATOM 1641 C PRO A 99 -10.993 -25.635 -11.757 1.00 0.00 C ATOM 1642 O PRO A 99 -11.601 -26.709 -11.810 1.00 0.00 O ATOM 1643 CB PRO A 99 -12.679 -24.854 -9.963 1.00 0.00 C ATOM 1644 CG PRO A 99 -13.835 -24.460 -10.880 1.00 0.00 C ATOM 1645 CD PRO A 99 -13.303 -23.205 -11.571 1.00 0.00 C ATOM 0 HA PRO A 99 -10.573 -24.345 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -12.707 -25.914 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.700 -24.301 -9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.070 -25.247 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -14.747 -24.257 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.668 -23.144 -12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.644 -22.306 -11.057 1.00 0.00 H new ATOM 1653 N LEU A 100 -9.967 -25.368 -12.575 1.00 0.00 N ATOM 1654 CA LEU A 100 -9.508 -26.313 -13.607 1.00 0.00 C ATOM 1655 C LEU A 100 -9.027 -27.669 -13.022 1.00 0.00 C ATOM 1656 O LEU A 100 -8.512 -27.695 -11.896 1.00 0.00 O ATOM 1657 CB LEU A 100 -8.385 -25.665 -14.443 1.00 0.00 C ATOM 1658 CG LEU A 100 -8.760 -24.357 -15.169 1.00 0.00 C ATOM 1659 CD1 LEU A 100 -7.567 -23.865 -15.987 1.00 0.00 C ATOM 1660 CD2 LEU A 100 -9.950 -24.521 -16.117 1.00 0.00 C ATOM 0 H LEU A 100 -9.434 -24.499 -12.543 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.367 -26.536 -14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.538 -25.464 -13.786 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.048 -26.387 -15.186 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.038 -23.641 -14.396 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.834 -22.941 -16.499 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.722 -23.681 -15.324 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.293 -24.622 -16.722 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.166 -23.567 -16.598 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.710 -25.265 -16.877 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.823 -24.848 -15.552 1.00 0.00 H new ATOM 1672 N PRO A 101 -9.152 -28.790 -13.769 1.00 0.00 N ATOM 1673 CA PRO A 101 -8.617 -30.102 -13.375 1.00 0.00 C ATOM 1674 C PRO A 101 -7.098 -30.114 -13.076 1.00 0.00 C ATOM 1675 O PRO A 101 -6.381 -29.207 -13.508 1.00 0.00 O ATOM 1676 CB PRO A 101 -8.940 -31.049 -14.540 1.00 0.00 C ATOM 1677 CG PRO A 101 -10.127 -30.392 -15.235 1.00 0.00 C ATOM 1678 CD PRO A 101 -9.859 -28.903 -15.040 1.00 0.00 C ATOM 0 HA PRO A 101 -9.077 -30.404 -12.434 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.091 -31.154 -15.215 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.190 -32.048 -14.184 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.174 -30.658 -16.291 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.074 -30.693 -14.787 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.260 -28.503 -15.858 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.790 -28.337 -15.021 1.00 0.00 H new ATOM 1686 N PRO A 102 -6.570 -31.161 -12.407 1.00 0.00 N ATOM 1687 CA PRO A 102 -5.133 -31.333 -12.135 1.00 0.00 C ATOM 1688 C PRO A 102 -4.193 -31.362 -13.359 1.00 0.00 C ATOM 1689 O PRO A 102 -2.997 -31.117 -13.199 1.00 0.00 O ATOM 1690 CB PRO A 102 -5.017 -32.660 -11.374 1.00 0.00 C ATOM 1691 CG PRO A 102 -6.383 -32.830 -10.720 1.00 0.00 C ATOM 1692 CD PRO A 102 -7.328 -32.223 -11.754 1.00 0.00 C ATOM 0 HA PRO A 102 -4.799 -30.454 -11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.791 -33.487 -12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.220 -32.626 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.612 -33.878 -10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.442 -32.310 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.652 -32.973 -12.476 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.226 -31.828 -11.279 1.00 0.00 H new ATOM 1700 N ILE A 103 -4.717 -31.677 -14.557 1.00 0.00 N ATOM 1701 CA ILE A 103 -3.890 -31.949 -15.760 1.00 0.00 C ATOM 1702 C ILE A 103 -2.759 -32.975 -15.475 1.00 0.00 C ATOM 1703 O ILE A 103 -1.592 -32.778 -15.828 1.00 0.00 O ATOM 1704 CB ILE A 103 -3.413 -30.640 -16.458 1.00 0.00 C ATOM 1705 CG1 ILE A 103 -4.438 -29.479 -16.445 1.00 0.00 C ATOM 1706 CG2 ILE A 103 -3.011 -30.914 -17.923 1.00 0.00 C ATOM 1707 CD1 ILE A 103 -5.796 -29.768 -17.105 1.00 0.00 C ATOM 0 H ILE A 103 -5.720 -31.752 -14.725 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.532 -32.437 -16.494 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.559 -30.317 -15.863 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.615 -29.189 -15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.990 -28.620 -16.944 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.682 -29.986 -18.390 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.199 -31.641 -17.948 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.868 -31.310 -18.468 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.430 -28.884 -17.035 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.644 -30.024 -18.154 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.279 -30.602 -16.595 1.00 0.00 H new ATOM 1719 N LYS A 104 -3.125 -34.070 -14.785 1.00 0.00 N ATOM 1720 CA LYS A 104 -2.164 -35.095 -14.314 1.00 0.00 C ATOM 1721 C LYS A 104 -2.809 -36.497 -14.331 1.00 0.00 C ATOM 1722 O LYS A 104 -4.042 -36.588 -14.295 1.00 0.00 O ATOM 1723 CB LYS A 104 -1.716 -34.756 -12.873 1.00 0.00 C ATOM 1724 CG LYS A 104 -0.609 -33.692 -12.815 1.00 0.00 C ATOM 1725 CD LYS A 104 -0.202 -33.396 -11.366 1.00 0.00 C ATOM 1726 CE LYS A 104 0.883 -32.313 -11.343 1.00 0.00 C ATOM 1727 NZ LYS A 104 1.308 -31.990 -9.956 1.00 0.00 N ATOM 0 H LYS A 104 -4.093 -34.273 -14.536 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.303 -35.098 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.578 -34.405 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.362 -35.665 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.260 -34.036 -13.377 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.956 -32.776 -13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.070 -33.067 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.167 -34.304 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.745 -32.649 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.508 -31.412 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.042 -31.254 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.490 -31.645 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.689 -32.844 -9.502 1.00 0.00 H new ATOM 1741 N PRO A 105 -2.016 -37.590 -14.346 1.00 0.00 N ATOM 1742 CA PRO A 105 -2.529 -38.953 -14.179 1.00 0.00 C ATOM 1743 C PRO A 105 -3.106 -39.190 -12.769 1.00 0.00 C ATOM 1744 O PRO A 105 -2.840 -38.430 -11.831 1.00 0.00 O ATOM 1745 CB PRO A 105 -1.340 -39.872 -14.483 1.00 0.00 C ATOM 1746 CG PRO A 105 -0.126 -39.024 -14.107 1.00 0.00 C ATOM 1747 CD PRO A 105 -0.564 -37.610 -14.484 1.00 0.00 C ATOM 0 HA PRO A 105 -3.365 -39.150 -14.850 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.384 -40.791 -13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.316 -40.163 -15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.109 -39.104 -13.046 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.765 -39.330 -14.655 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.100 -36.870 -13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.265 -37.368 -15.504 1.00 0.00 H new ATOM 1755 N ARG A 106 -3.889 -40.266 -12.614 1.00 0.00 N ATOM 1756 CA ARG A 106 -4.610 -40.629 -11.376 1.00 0.00 C ATOM 1757 C ARG A 106 -4.716 -42.157 -11.207 1.00 0.00 C ATOM 1758 O ARG A 106 -4.593 -42.899 -12.187 1.00 0.00 O ATOM 1759 CB ARG A 106 -6.016 -39.993 -11.430 1.00 0.00 C ATOM 1760 CG ARG A 106 -6.623 -39.702 -10.042 1.00 0.00 C ATOM 1761 CD ARG A 106 -8.155 -39.674 -10.082 1.00 0.00 C ATOM 1762 NE ARG A 106 -8.699 -41.031 -10.277 1.00 0.00 N ATOM 1763 CZ ARG A 106 -9.946 -41.389 -10.501 1.00 0.00 C ATOM 1764 NH1 ARG A 106 -10.930 -40.536 -10.574 1.00 0.00 N ATOM 1765 NH2 ARG A 106 -10.197 -42.653 -10.655 1.00 0.00 N ATOM 0 H ARG A 106 -4.046 -40.933 -13.369 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.056 -40.252 -10.516 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.962 -39.062 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.685 -40.659 -11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.292 -40.462 -9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.252 -38.744 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.540 -39.253 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.490 -39.023 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.021 -41.791 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.750 -39.539 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.879 -40.866 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.439 -43.334 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.152 -42.966 -10.830 1.00 0.00 H new ATOM 1779 N LYS A 107 -4.979 -42.609 -9.973 1.00 0.00 N ATOM 1780 CA LYS A 107 -5.317 -44.017 -9.693 1.00 0.00 C ATOM 1781 C LYS A 107 -6.636 -44.445 -10.359 1.00 0.00 C ATOM 1782 O LYS A 107 -6.700 -45.583 -10.876 1.00 0.00 O ATOM 1783 CB LYS A 107 -5.373 -44.256 -8.173 1.00 0.00 C ATOM 1784 CG LYS A 107 -3.999 -44.077 -7.499 1.00 0.00 C ATOM 1785 CD LYS A 107 -4.031 -44.320 -5.982 1.00 0.00 C ATOM 1786 CE LYS A 107 -4.345 -45.782 -5.632 1.00 0.00 C ATOM 1787 NZ LYS A 107 -4.299 -46.014 -4.164 1.00 0.00 N ATOM 1788 OXT LYS A 107 -7.602 -43.646 -10.342 1.00 0.00 O ATOM 0 H LYS A 107 -4.964 -42.015 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.529 -44.635 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.087 -43.565 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.741 -45.264 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.286 -44.764 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.637 -43.067 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.068 -44.045 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.780 -43.671 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.333 -46.044 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.629 -46.438 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.516 -47.011 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.349 -45.787 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.000 -45.406 -3.694 1.00 0.00 H new TER 1802 LYS A 107