USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 923 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 13 HIS :FLIP+bothHN:sc= -2.76! C(o=-5.2!,f=-3.7!) USER MOD Set 1.2: A 44 THR OG1 : rot -166:sc= 0.211 USER MOD Set 1.3: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 117 GLN : amide:sc= -1.13 K(o=-3.7,f=-4.3!) USER MOD Set 2.1: A 25 TYR OH : rot 27:sc= 0.421 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.36 K(o=-1.3,f=-5.4!) USER MOD Set 2.3: A 79 THR OG1 : rot 73:sc= 0.599 USER MOD Set 3.1: A 61 ASN : amide:sc= 0.0439 K(o=0.5,f=-1.1!) USER MOD Set 3.2: A 74 SER OG : rot 53:sc= 0.459 USER MOD Set 4.1: A 12 GLN : amide:sc= 0 X(o=-0.12,f=-0.11) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.11) USER MOD Set 5.1: A 6 TYR OH : rot -30:sc= -0.0383 USER MOD Set 5.2: A 50 LYS NZ :NH3+ -121:sc= -0.042 (180deg=-0.406) USER MOD Set 5.3: A 54 LYS NZ :NH3+ -151:sc= 0.0436 (180deg=-0.00203) USER MOD Set 6.1: A 4 SER OG : rot -37:sc= 0.0885 USER MOD Set 6.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 8 HIS :FLIP no HD1:sc= -0.438 F(o=-1.2,f=-0.35) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -15:sc= 0.572 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.19) USER MOD Single : A 28 SER OG : rot 89:sc= 0.382 USER MOD Single : A 30 MET CE :methyl 160:sc= -0.483 (180deg=-2.38) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.000952 X(o=-0.00095,f=0) USER MOD Single : A 52 SER OG : rot 8:sc= 0.692 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.028) USER MOD Single : A 72 SER OG : rot 160:sc= -0.039 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -116:sc= 0.878 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.474) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.117 F(o=-0.82,f=-0.12) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0475 X(o=-0.047,f=0.14) USER MOD Single : A 94 TYR OH : rot 4:sc= 0.137 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.307 K(o=-0.31,f=-2.6!) USER MOD Single : A 109 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.072) USER MOD Single : A 114 HIS : no HD1:sc= -0.611 X(o=-0.61,f=-0.62) USER MOD Single : A 118 SER OG : rot 98:sc= 0.0994 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.066 -5.040 2.039 1.00 0.00 N ATOM 33 CA ASN A 3 4.634 -5.247 3.354 1.00 0.00 C ATOM 34 C ASN A 3 5.104 -3.967 3.983 1.00 0.00 C ATOM 35 O ASN A 3 5.532 -3.976 5.136 1.00 0.00 O ATOM 36 CB ASN A 3 5.759 -6.300 3.465 1.00 0.00 C ATOM 37 CG ASN A 3 5.275 -7.631 2.888 1.00 0.00 C ATOM 38 OD1 ASN A 3 4.262 -8.190 3.324 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.041 -8.142 1.876 1.00 0.00 N ATOM 0 HA ASN A 3 3.785 -5.658 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.644 -5.959 2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.049 -6.428 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.786 -9.029 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.867 -7.636 1.557 1.00 0.00 H new ATOM 46 N SER A 4 5.022 -2.830 3.249 1.00 0.00 N ATOM 47 CA SER A 4 5.272 -1.531 3.801 1.00 0.00 C ATOM 48 C SER A 4 3.952 -0.977 4.237 1.00 0.00 C ATOM 49 O SER A 4 3.897 -0.002 4.979 1.00 0.00 O ATOM 50 CB SER A 4 5.966 -0.569 2.823 1.00 0.00 C ATOM 51 OG SER A 4 6.360 0.624 3.484 1.00 0.00 O ATOM 0 H SER A 4 4.778 -2.818 2.259 1.00 0.00 H new ATOM 0 HA SER A 4 5.965 -1.634 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.839 -1.054 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.291 -0.329 2.001 1.00 0.00 H new ATOM 0 HG SER A 4 5.679 0.873 4.144 1.00 0.00 H new ATOM 57 N ARG A 5 2.847 -1.622 3.793 1.00 0.00 N ATOM 58 CA ARG A 5 1.491 -1.263 4.119 1.00 0.00 C ATOM 59 C ARG A 5 1.194 -1.574 5.558 1.00 0.00 C ATOM 60 O ARG A 5 0.329 -0.954 6.175 1.00 0.00 O ATOM 61 CB ARG A 5 0.493 -2.066 3.265 1.00 0.00 C ATOM 62 CG ARG A 5 -0.645 -1.238 2.650 1.00 0.00 C ATOM 63 CD ARG A 5 -1.694 -0.749 3.652 1.00 0.00 C ATOM 64 NE ARG A 5 -2.821 -0.146 2.885 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.838 1.176 2.535 1.00 0.00 C ATOM 66 NH1 ARG A 5 -1.827 2.015 2.906 1.00 0.00 N ATOM 67 NH2 ARG A 5 -3.882 1.662 1.801 1.00 0.00 N ATOM 0 H ARG A 5 2.903 -2.433 3.177 1.00 0.00 H new ATOM 0 HA ARG A 5 1.387 -0.195 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.040 -2.559 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.058 -2.852 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.215 -0.374 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.142 -1.838 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.050 -1.577 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.259 -0.015 4.330 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.605 -0.739 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.043 1.659 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.855 2.998 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.640 1.041 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.904 2.646 1.535 1.00 0.00 H new ATOM 81 N TYR A 6 1.929 -2.553 6.121 1.00 0.00 N ATOM 82 CA TYR A 6 1.894 -2.937 7.474 1.00 0.00 C ATOM 83 C TYR A 6 2.549 -1.884 8.291 1.00 0.00 C ATOM 84 O TYR A 6 2.046 -1.578 9.362 1.00 0.00 O ATOM 85 CB TYR A 6 2.725 -4.198 7.515 1.00 0.00 C ATOM 86 CG TYR A 6 3.142 -4.535 8.873 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.275 -5.157 9.724 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.457 -4.372 9.226 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.726 -5.680 10.903 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.922 -4.885 10.411 1.00 0.00 C ATOM 91 CZ TYR A 6 4.053 -5.553 11.254 1.00 0.00 C ATOM 92 OH TYR A 6 4.518 -6.086 12.469 1.00 0.00 O ATOM 0 H TYR A 6 2.591 -3.107 5.577 1.00 0.00 H new ATOM 0 HA TYR A 6 0.884 -3.083 7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.150 -5.024 7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.606 -4.072 6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.230 -5.236 9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.129 -3.838 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.041 -6.194 11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.960 -4.768 10.683 1.00 0.00 H new ATOM 0 HH TYR A 6 3.795 -6.071 13.131 1.00 0.00 H new ATOM 102 N THR A 7 3.688 -1.316 7.828 1.00 0.00 N ATOM 103 CA THR A 7 4.350 -0.258 8.531 1.00 0.00 C ATOM 104 C THR A 7 3.745 1.097 8.297 1.00 0.00 C ATOM 105 O THR A 7 4.141 2.047 8.964 1.00 0.00 O ATOM 106 CB THR A 7 5.830 -0.153 8.283 1.00 0.00 C ATOM 107 OG1 THR A 7 6.113 0.767 7.238 1.00 0.00 O ATOM 108 CG2 THR A 7 6.455 -1.508 7.935 1.00 0.00 C ATOM 0 H THR A 7 4.148 -1.595 6.962 1.00 0.00 H new ATOM 0 HA THR A 7 4.198 -0.556 9.568 1.00 0.00 H new ATOM 0 HB THR A 7 6.270 0.205 9.214 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.082 0.817 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.524 -1.382 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.298 -2.203 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.988 -1.903 7.033 1.00 0.00 H new ATOM 116 N HIS A 8 2.775 1.239 7.364 1.00 0.00 N ATOM 117 CA HIS A 8 1.983 2.440 7.265 1.00 0.00 C ATOM 118 C HIS A 8 0.979 2.411 8.376 1.00 0.00 C ATOM 119 O HIS A 8 0.809 3.388 9.115 1.00 0.00 O ATOM 120 CB HIS A 8 1.213 2.567 5.938 1.00 0.00 C ATOM 121 CG HIS A 8 2.115 2.661 4.744 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.466 2.695 4.651 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.621 2.724 3.470 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 3.774 2.776 3.319 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.643 2.792 2.628 1.00 0.00 N flip ATOM 0 H HIS A 8 2.538 0.523 6.678 1.00 0.00 H new ATOM 0 HA HIS A 8 2.667 3.287 7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.555 1.706 5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.577 3.451 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.576 2.719 3.196 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.769 2.819 2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.571 2.848 1.612 1.00 0.00 H new ATOM 134 N PHE A 9 0.328 1.234 8.503 1.00 0.00 N ATOM 135 CA PHE A 9 -0.603 0.867 9.537 1.00 0.00 C ATOM 136 C PHE A 9 0.033 0.990 10.888 1.00 0.00 C ATOM 137 O PHE A 9 -0.598 1.466 11.821 1.00 0.00 O ATOM 138 CB PHE A 9 -1.109 -0.585 9.299 1.00 0.00 C ATOM 139 CG PHE A 9 -1.658 -1.299 10.498 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.831 -0.854 11.083 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.085 -2.487 10.952 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.416 -1.566 12.107 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.701 -3.207 11.957 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.867 -2.747 12.539 1.00 0.00 C ATOM 0 H PHE A 9 0.464 0.480 7.829 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.454 1.547 9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.884 -0.557 8.533 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.284 -1.174 8.897 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.291 0.059 10.734 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.162 -2.843 10.519 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.315 -1.191 12.574 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.267 -4.138 12.291 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.342 -3.312 13.327 1.00 0.00 H new ATOM 154 N LEU A 10 1.297 0.563 11.031 1.00 0.00 N ATOM 155 CA LEU A 10 1.940 0.513 12.301 1.00 0.00 C ATOM 156 C LEU A 10 2.841 1.695 12.536 1.00 0.00 C ATOM 157 O LEU A 10 3.339 1.845 13.644 1.00 0.00 O ATOM 158 CB LEU A 10 2.415 -0.913 12.625 1.00 0.00 C ATOM 159 CG LEU A 10 3.755 -1.497 12.175 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.018 -0.720 12.534 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.855 -2.819 12.922 1.00 0.00 C ATOM 0 H LEU A 10 1.880 0.249 10.255 1.00 0.00 H new ATOM 0 HA LEU A 10 1.233 0.678 13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.396 -0.999 13.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.647 -1.583 12.239 1.00 0.00 H new ATOM 0 HG LEU A 10 3.736 -1.521 11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.891 -1.249 12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.973 0.274 12.088 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.093 -0.629 13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.790 -3.314 12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.830 -2.633 13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.017 -3.458 12.645 1.00 0.00 H new ATOM 173 N THR A 11 3.058 2.605 11.557 1.00 0.00 N ATOM 174 CA THR A 11 3.729 3.835 11.909 1.00 0.00 C ATOM 175 C THR A 11 2.713 4.722 12.539 1.00 0.00 C ATOM 176 O THR A 11 3.011 5.406 13.516 1.00 0.00 O ATOM 177 CB THR A 11 4.541 4.562 10.849 1.00 0.00 C ATOM 178 OG1 THR A 11 5.303 5.589 11.466 1.00 0.00 O ATOM 179 CG2 THR A 11 3.698 5.183 9.719 1.00 0.00 C ATOM 0 H THR A 11 2.789 2.504 10.578 1.00 0.00 H new ATOM 0 HA THR A 11 4.531 3.544 12.587 1.00 0.00 H new ATOM 0 HB THR A 11 5.175 3.807 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.829 6.059 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.355 5.682 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.139 4.399 9.209 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.003 5.909 10.141 1.00 0.00 H new ATOM 187 N GLN A 12 1.478 4.700 11.993 1.00 0.00 N ATOM 188 CA GLN A 12 0.454 5.573 12.480 1.00 0.00 C ATOM 189 C GLN A 12 -0.230 5.030 13.693 1.00 0.00 C ATOM 190 O GLN A 12 -0.700 5.820 14.509 1.00 0.00 O ATOM 191 CB GLN A 12 -0.506 6.042 11.372 1.00 0.00 C ATOM 192 CG GLN A 12 -1.604 5.062 10.975 1.00 0.00 C ATOM 193 CD GLN A 12 -2.304 5.611 9.735 1.00 0.00 C ATOM 194 OE1 GLN A 12 -1.762 5.575 8.624 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.551 6.129 9.953 1.00 0.00 N ATOM 0 H GLN A 12 1.194 4.088 11.228 1.00 0.00 H new ATOM 0 HA GLN A 12 0.951 6.482 12.818 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.976 6.971 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.082 6.275 10.485 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.181 4.079 10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.316 4.938 11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.945 6.131 10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.087 6.514 9.175 1.00 0.00 H new ATOM 204 N HIS A 13 -0.285 3.691 13.854 1.00 0.00 N ATOM 205 CA HIS A 13 -0.923 3.117 15.003 1.00 0.00 C ATOM 206 C HIS A 13 0.092 2.634 15.990 1.00 0.00 C ATOM 207 O HIS A 13 -0.029 2.959 17.164 1.00 0.00 O ATOM 208 CB HIS A 13 -1.913 1.988 14.673 1.00 0.00 C ATOM 209 CG HIS A 13 -3.049 2.495 13.826 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.109 2.743 12.500 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.250 2.876 14.354 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.353 3.249 12.235 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.020 3.323 13.375 1.00 0.00 N flip ATOM 0 H HIS A 13 0.106 3.015 13.198 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.512 3.924 15.440 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.393 1.186 14.148 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.305 1.563 15.597 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.365 2.583 11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.525 2.821 15.397 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.726 3.538 11.263 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -5.974 3.669 13.482 1.00 0.00 H new ATOM 222 N TYR A 14 1.104 1.838 15.584 1.00 0.00 N ATOM 223 CA TYR A 14 1.934 1.177 16.560 1.00 0.00 C ATOM 224 C TYR A 14 2.912 2.138 17.167 1.00 0.00 C ATOM 225 O TYR A 14 3.767 2.702 16.485 1.00 0.00 O ATOM 226 CB TYR A 14 2.687 -0.023 15.994 1.00 0.00 C ATOM 227 CG TYR A 14 3.434 -0.768 17.007 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.813 -1.388 18.064 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.778 -0.923 16.790 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.566 -2.113 18.962 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.538 -1.639 17.684 1.00 0.00 C ATOM 232 CZ TYR A 14 4.932 -2.225 18.777 1.00 0.00 C ATOM 233 OH TYR A 14 5.723 -2.951 19.688 1.00 0.00 O ATOM 0 H TYR A 14 1.346 1.653 14.610 1.00 0.00 H new ATOM 0 HA TYR A 14 1.255 0.804 17.327 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.977 -0.693 15.510 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.377 0.320 15.223 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.743 -1.308 18.190 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.239 -0.483 15.918 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.092 -2.591 19.806 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.602 -1.742 17.532 1.00 0.00 H new ATOM 0 HH TYR A 14 5.213 -3.111 20.509 1.00 0.00 H new ATOM 243 N ASP A 15 2.786 2.326 18.496 1.00 0.00 N ATOM 244 CA ASP A 15 3.696 3.108 19.265 1.00 0.00 C ATOM 245 C ASP A 15 3.877 2.233 20.449 1.00 0.00 C ATOM 246 O ASP A 15 3.032 2.221 21.340 1.00 0.00 O ATOM 247 CB ASP A 15 3.153 4.479 19.710 1.00 0.00 C ATOM 248 CG ASP A 15 4.221 5.139 20.574 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.323 5.428 20.033 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.952 5.368 21.783 1.00 0.00 O ATOM 0 H ASP A 15 2.029 1.921 19.046 1.00 0.00 H new ATOM 0 HA ASP A 15 4.592 3.364 18.700 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.924 5.100 18.844 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.226 4.360 20.271 1.00 0.00 H new ATOM 255 N ALA A 16 4.980 1.458 20.421 1.00 0.00 N ATOM 256 CA ALA A 16 5.298 0.327 21.266 1.00 0.00 C ATOM 257 C ALA A 16 5.025 0.446 22.730 1.00 0.00 C ATOM 258 O ALA A 16 4.522 -0.498 23.336 1.00 0.00 O ATOM 259 CB ALA A 16 6.754 -0.126 21.113 1.00 0.00 C ATOM 0 H ALA A 16 5.722 1.636 19.745 1.00 0.00 H new ATOM 0 HA ALA A 16 4.588 -0.406 20.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.941 -0.977 21.768 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.938 -0.417 20.079 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.420 0.693 21.383 1.00 0.00 H new ATOM 265 N LYS A 17 5.339 1.604 23.329 1.00 0.00 N ATOM 266 CA LYS A 17 4.881 1.882 24.658 1.00 0.00 C ATOM 267 C LYS A 17 4.975 3.384 24.797 1.00 0.00 C ATOM 268 O LYS A 17 6.001 3.944 24.413 1.00 0.00 O ATOM 269 CB LYS A 17 5.752 1.246 25.765 1.00 0.00 C ATOM 270 CG LYS A 17 5.147 1.360 27.173 1.00 0.00 C ATOM 271 CD LYS A 17 5.955 0.597 28.228 1.00 0.00 C ATOM 272 CE LYS A 17 5.334 0.686 29.624 1.00 0.00 C ATOM 273 NZ LYS A 17 6.150 -0.071 30.599 1.00 0.00 N ATOM 0 H LYS A 17 5.902 2.341 22.904 1.00 0.00 H new ATOM 0 HA LYS A 17 3.880 1.471 24.784 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.908 0.193 25.531 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.732 1.722 25.761 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.090 2.411 27.455 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.126 0.978 27.157 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.031 -0.450 27.935 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.970 0.994 28.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.263 1.729 29.932 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.319 0.289 29.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.717 -0.002 31.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.197 -1.069 30.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.111 0.326 30.630 1.00 0.00 H new ATOM 287 N PRO A 18 3.968 4.055 25.340 1.00 0.00 N ATOM 288 CA PRO A 18 3.950 5.489 25.434 1.00 0.00 C ATOM 289 C PRO A 18 4.871 6.043 26.477 1.00 0.00 C ATOM 290 O PRO A 18 5.528 5.302 27.209 1.00 0.00 O ATOM 291 CB PRO A 18 2.549 5.796 25.934 1.00 0.00 C ATOM 292 CG PRO A 18 1.679 4.727 25.306 1.00 0.00 C ATOM 293 CD PRO A 18 2.628 3.552 25.140 1.00 0.00 C ATOM 0 HA PRO A 18 4.245 5.914 24.475 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.499 5.759 27.022 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.230 6.794 25.634 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.832 4.472 25.944 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.271 5.052 24.349 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.400 2.768 25.862 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.526 3.112 24.148 1.00 0.00 H new ATOM 301 N GLN A 19 4.850 7.388 26.567 1.00 0.00 N ATOM 302 CA GLN A 19 5.458 8.148 27.618 1.00 0.00 C ATOM 303 C GLN A 19 4.572 7.980 28.809 1.00 0.00 C ATOM 304 O GLN A 19 4.913 7.281 29.764 1.00 0.00 O ATOM 305 CB GLN A 19 5.558 9.651 27.276 1.00 0.00 C ATOM 306 CG GLN A 19 6.787 10.032 26.432 1.00 0.00 C ATOM 307 CD GLN A 19 6.746 9.368 25.054 1.00 0.00 C ATOM 308 OE1 GLN A 19 5.879 9.664 24.224 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.730 8.448 24.818 1.00 0.00 N ATOM 0 H GLN A 19 4.386 7.973 25.872 1.00 0.00 H new ATOM 0 HA GLN A 19 6.476 7.796 27.787 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.657 9.949 26.739 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.579 10.222 28.205 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.828 11.115 26.315 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.696 9.733 26.955 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.420 8.243 25.540 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.774 7.967 23.920 1.00 0.00 H new ATOM 318 N GLY A 20 3.393 8.616 28.742 1.00 0.00 N ATOM 319 CA GLY A 20 2.309 8.343 29.640 1.00 0.00 C ATOM 320 C GLY A 20 1.159 8.142 28.735 1.00 0.00 C ATOM 321 O GLY A 20 1.317 8.191 27.520 1.00 0.00 O ATOM 0 H GLY A 20 3.184 9.336 28.051 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.503 7.458 30.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.139 9.171 30.328 1.00 0.00 H new ATOM 325 N ARG A 21 -0.029 7.916 29.314 1.00 0.00 N ATOM 326 CA ARG A 21 -1.226 7.752 28.536 1.00 0.00 C ATOM 327 C ARG A 21 -2.173 8.804 28.991 1.00 0.00 C ATOM 328 O ARG A 21 -3.158 8.532 29.676 1.00 0.00 O ATOM 329 CB ARG A 21 -1.874 6.356 28.635 1.00 0.00 C ATOM 330 CG ARG A 21 -1.037 5.293 27.907 1.00 0.00 C ATOM 331 CD ARG A 21 -1.740 3.945 27.734 1.00 0.00 C ATOM 332 NE ARG A 21 -1.814 3.288 29.064 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.608 2.197 29.267 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.342 1.682 28.241 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.660 1.614 30.500 1.00 0.00 N ATOM 0 H ARG A 21 -0.168 7.846 30.322 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.967 7.849 27.482 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.984 6.079 29.683 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.876 6.388 28.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.763 5.675 26.924 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.110 5.137 28.459 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.740 4.087 27.324 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.193 3.318 27.030 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.262 3.658 29.838 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.299 2.112 27.317 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.934 0.866 28.397 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.106 1.994 31.268 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.253 0.798 30.654 1.00 0.00 H new ATOM 349 N ASP A 22 -1.859 10.054 28.599 1.00 0.00 N ATOM 350 CA ASP A 22 -2.637 11.201 28.950 1.00 0.00 C ATOM 351 C ASP A 22 -2.686 12.040 27.717 1.00 0.00 C ATOM 352 O ASP A 22 -2.081 11.685 26.707 1.00 0.00 O ATOM 353 CB ASP A 22 -2.071 12.007 30.141 1.00 0.00 C ATOM 354 CG ASP A 22 -0.702 12.615 29.837 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.267 11.855 29.571 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.609 13.870 29.900 1.00 0.00 O ATOM 0 H ASP A 22 -1.045 10.271 28.024 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.624 10.884 29.289 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.769 12.803 30.402 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.991 11.356 31.011 1.00 0.00 H new ATOM 361 N ASP A 23 -3.411 13.181 27.780 1.00 0.00 N ATOM 362 CA ASP A 23 -3.716 13.993 26.630 1.00 0.00 C ATOM 363 C ASP A 23 -2.541 14.779 26.116 1.00 0.00 C ATOM 364 O ASP A 23 -2.590 15.282 24.996 1.00 0.00 O ATOM 365 CB ASP A 23 -4.895 14.968 26.842 1.00 0.00 C ATOM 366 CG ASP A 23 -4.533 16.069 27.836 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.311 15.753 29.036 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.492 17.252 27.405 1.00 0.00 O ATOM 0 H ASP A 23 -3.794 13.548 28.651 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.004 13.252 25.884 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.176 15.414 25.888 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.763 14.418 27.205 1.00 0.00 H new ATOM 373 N ARG A 24 -1.454 14.890 26.914 1.00 0.00 N ATOM 374 CA ARG A 24 -0.249 15.539 26.492 1.00 0.00 C ATOM 375 C ARG A 24 0.510 14.613 25.593 1.00 0.00 C ATOM 376 O ARG A 24 1.158 15.062 24.648 1.00 0.00 O ATOM 377 CB ARG A 24 0.653 15.937 27.678 1.00 0.00 C ATOM 378 CG ARG A 24 1.793 16.904 27.321 1.00 0.00 C ATOM 379 CD ARG A 24 2.678 17.259 28.522 1.00 0.00 C ATOM 380 NE ARG A 24 1.839 17.956 29.539 1.00 0.00 N ATOM 381 CZ ARG A 24 2.372 18.344 30.734 1.00 0.00 C ATOM 382 NH1 ARG A 24 3.685 18.102 31.015 1.00 0.00 N ATOM 383 NH2 ARG A 24 1.585 18.977 31.654 1.00 0.00 N ATOM 0 H ARG A 24 -1.415 14.523 27.865 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.531 16.454 25.971 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.034 16.395 28.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.083 15.033 28.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.410 16.457 26.542 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.369 17.819 26.906 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.118 16.357 28.948 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.503 17.899 28.209 1.00 0.00 H new ATOM 0 HE ARG A 24 0.857 18.145 29.339 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.274 17.629 30.330 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.077 18.395 31.910 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.603 19.158 31.447 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.980 19.269 32.548 1.00 0.00 H new ATOM 397 N TYR A 25 0.425 13.291 25.869 1.00 0.00 N ATOM 398 CA TYR A 25 1.122 12.288 25.111 1.00 0.00 C ATOM 399 C TYR A 25 0.412 12.136 23.809 1.00 0.00 C ATOM 400 O TYR A 25 1.054 11.956 22.779 1.00 0.00 O ATOM 401 CB TYR A 25 1.181 10.916 25.831 1.00 0.00 C ATOM 402 CG TYR A 25 1.236 9.758 24.873 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.397 9.420 24.196 1.00 0.00 C ATOM 404 CD2 TYR A 25 0.100 8.985 24.678 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.395 8.387 23.277 1.00 0.00 C ATOM 406 CE2 TYR A 25 0.098 7.956 23.761 1.00 0.00 C ATOM 407 CZ TYR A 25 1.240 7.666 23.050 1.00 0.00 C ATOM 408 OH TYR A 25 1.216 6.621 22.105 1.00 0.00 O ATOM 0 H TYR A 25 -0.137 12.914 26.632 1.00 0.00 H new ATOM 0 HA TYR A 25 2.155 12.611 24.979 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.057 10.888 26.479 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.307 10.810 26.473 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.309 9.967 24.387 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.792 9.192 25.251 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.298 8.144 22.736 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.800 7.377 23.600 1.00 0.00 H new ATOM 0 HH TYR A 25 2.115 6.243 22.012 1.00 0.00 H new ATOM 418 N CYS A 26 -0.933 12.190 23.859 1.00 0.00 N ATOM 419 CA CYS A 26 -1.814 11.934 22.762 1.00 0.00 C ATOM 420 C CYS A 26 -1.718 12.993 21.715 1.00 0.00 C ATOM 421 O CYS A 26 -1.674 12.691 20.522 1.00 0.00 O ATOM 422 CB CYS A 26 -3.253 11.863 23.286 1.00 0.00 C ATOM 423 SG CYS A 26 -4.523 11.683 22.035 1.00 0.00 S ATOM 0 H CYS A 26 -1.433 12.426 24.716 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.524 10.988 22.305 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.328 11.024 23.978 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.457 12.768 23.859 1.00 0.00 H new ATOM 428 N GLU A 27 -1.667 14.262 22.158 1.00 0.00 N ATOM 429 CA GLU A 27 -1.545 15.382 21.269 1.00 0.00 C ATOM 430 C GLU A 27 -0.165 15.467 20.699 1.00 0.00 C ATOM 431 O GLU A 27 -0.022 15.853 19.540 1.00 0.00 O ATOM 432 CB GLU A 27 -1.851 16.737 21.925 1.00 0.00 C ATOM 433 CG GLU A 27 -3.341 16.917 22.226 1.00 0.00 C ATOM 434 CD GLU A 27 -3.516 18.236 22.959 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.329 19.302 22.315 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.838 18.195 24.177 1.00 0.00 O ATOM 0 H GLU A 27 -1.711 14.517 23.145 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.289 15.197 20.494 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.283 16.826 22.851 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.516 17.540 21.268 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.919 16.915 21.302 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.709 16.091 22.835 1.00 0.00 H new ATOM 443 N SER A 28 0.880 15.112 21.487 1.00 0.00 N ATOM 444 CA SER A 28 2.231 15.174 21.020 1.00 0.00 C ATOM 445 C SER A 28 2.570 14.096 20.042 1.00 0.00 C ATOM 446 O SER A 28 3.415 14.323 19.180 1.00 0.00 O ATOM 447 CB SER A 28 3.256 15.092 22.154 1.00 0.00 C ATOM 448 OG SER A 28 3.223 16.282 22.927 1.00 0.00 O ATOM 0 H SER A 28 0.782 14.783 22.447 1.00 0.00 H new ATOM 0 HA SER A 28 2.288 16.146 20.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.041 14.231 22.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.254 14.944 21.742 1.00 0.00 H new ATOM 0 HG SER A 28 2.568 16.185 23.649 1.00 0.00 H new ATOM 454 N ILE A 29 1.933 12.910 20.144 1.00 0.00 N ATOM 455 CA ILE A 29 2.223 11.833 19.235 1.00 0.00 C ATOM 456 C ILE A 29 1.447 12.020 17.978 1.00 0.00 C ATOM 457 O ILE A 29 1.895 11.610 16.911 1.00 0.00 O ATOM 458 CB ILE A 29 2.090 10.416 19.782 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.717 9.423 18.781 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.634 10.039 20.119 1.00 0.00 C ATOM 461 CD1 ILE A 29 3.099 8.085 19.392 1.00 0.00 C ATOM 0 H ILE A 29 1.225 12.696 20.847 1.00 0.00 H new ATOM 0 HA ILE A 29 3.293 11.906 19.042 1.00 0.00 H new ATOM 0 HB ILE A 29 2.631 10.367 20.727 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.013 9.251 17.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.606 9.877 18.343 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.602 9.020 20.504 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.246 10.724 20.873 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.023 10.106 19.219 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.532 7.445 18.624 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.828 8.243 20.187 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.211 7.607 19.805 1.00 0.00 H new ATOM 473 N MET A 30 0.272 12.671 18.059 1.00 0.00 N ATOM 474 CA MET A 30 -0.483 12.957 16.883 1.00 0.00 C ATOM 475 C MET A 30 0.188 14.007 16.049 1.00 0.00 C ATOM 476 O MET A 30 0.087 13.959 14.825 1.00 0.00 O ATOM 477 CB MET A 30 -1.883 13.446 17.232 1.00 0.00 C ATOM 478 CG MET A 30 -2.867 12.290 17.447 1.00 0.00 C ATOM 479 SD MET A 30 -3.530 11.702 15.866 1.00 0.00 S ATOM 480 CE MET A 30 -5.001 10.834 16.465 1.00 0.00 C ATOM 0 H MET A 30 -0.150 12.995 18.929 1.00 0.00 H new ATOM 0 HA MET A 30 -0.549 12.026 16.319 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.838 14.055 18.135 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.251 14.089 16.432 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.365 11.471 17.962 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.684 12.618 18.089 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.711 10.715 15.647 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.715 9.853 16.844 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.463 11.411 17.266 1.00 0.00 H new ATOM 490 N ARG A 31 0.882 14.970 16.694 1.00 0.00 N ATOM 491 CA ARG A 31 1.615 16.006 16.017 1.00 0.00 C ATOM 492 C ARG A 31 2.856 15.461 15.358 1.00 0.00 C ATOM 493 O ARG A 31 3.150 15.826 14.221 1.00 0.00 O ATOM 494 CB ARG A 31 2.015 17.145 16.981 1.00 0.00 C ATOM 495 CG ARG A 31 1.921 18.571 16.405 1.00 0.00 C ATOM 496 CD ARG A 31 3.010 18.954 15.400 1.00 0.00 C ATOM 497 NE ARG A 31 2.844 20.401 15.084 1.00 0.00 N ATOM 498 CZ ARG A 31 3.698 21.027 14.222 1.00 0.00 C ATOM 499 NH1 ARG A 31 4.716 20.331 13.636 1.00 0.00 N ATOM 500 NH2 ARG A 31 3.534 22.353 13.947 1.00 0.00 N ATOM 0 H ARG A 31 0.935 15.031 17.711 1.00 0.00 H new ATOM 0 HA ARG A 31 0.949 16.407 15.253 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.380 17.087 17.865 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.039 16.973 17.312 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.950 18.685 15.922 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.950 19.280 17.232 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.999 18.764 15.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.924 18.352 14.495 1.00 0.00 H new ATOM 0 HE ARG A 31 2.085 20.929 15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.841 19.340 13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.352 20.802 12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.775 22.875 14.385 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.171 22.823 13.303 1.00 0.00 H new ATOM 514 N ARG A 32 3.623 14.598 16.067 1.00 0.00 N ATOM 515 CA ARG A 32 4.915 14.149 15.610 1.00 0.00 C ATOM 516 C ARG A 32 4.816 13.135 14.516 1.00 0.00 C ATOM 517 O ARG A 32 5.613 13.176 13.579 1.00 0.00 O ATOM 518 CB ARG A 32 5.779 13.507 16.712 1.00 0.00 C ATOM 519 CG ARG A 32 6.374 14.512 17.716 1.00 0.00 C ATOM 520 CD ARG A 32 7.384 15.501 17.119 1.00 0.00 C ATOM 521 NE ARG A 32 8.513 14.727 16.526 1.00 0.00 N ATOM 522 CZ ARG A 32 9.483 15.352 15.797 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.450 16.705 15.622 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.490 14.618 15.241 1.00 0.00 N ATOM 0 H ARG A 32 3.344 14.207 16.967 1.00 0.00 H new ATOM 0 HA ARG A 32 5.385 15.067 15.258 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.173 12.782 17.256 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.593 12.954 16.243 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.559 15.077 18.169 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.861 13.957 18.518 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.906 16.117 16.357 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.753 16.177 17.890 1.00 0.00 H new ATOM 0 HE ARG A 32 8.561 13.718 16.667 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.698 17.255 16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.178 17.167 15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.516 13.607 15.371 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.217 15.081 14.695 1.00 0.00 H new ATOM 538 N ARG A 33 3.842 12.201 14.612 1.00 0.00 N ATOM 539 CA ARG A 33 3.609 11.229 13.577 1.00 0.00 C ATOM 540 C ARG A 33 2.938 11.900 12.411 1.00 0.00 C ATOM 541 O ARG A 33 3.217 11.578 11.257 1.00 0.00 O ATOM 542 CB ARG A 33 2.731 10.066 14.080 1.00 0.00 C ATOM 543 CG ARG A 33 3.259 8.651 13.800 1.00 0.00 C ATOM 544 CD ARG A 33 4.676 8.359 14.317 1.00 0.00 C ATOM 545 NE ARG A 33 4.801 8.792 15.739 1.00 0.00 N ATOM 546 CZ ARG A 33 6.024 8.777 16.350 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.117 8.301 15.685 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.157 9.237 17.628 1.00 0.00 N ATOM 0 H ARG A 33 3.213 12.119 15.411 1.00 0.00 H new ATOM 0 HA ARG A 33 4.571 10.815 13.273 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.599 10.176 15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.744 10.160 13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.573 7.931 14.246 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.242 8.482 12.723 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.890 7.294 14.233 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.410 8.881 13.704 1.00 0.00 H new ATOM 0 HE ARG A 33 3.976 9.099 16.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.022 7.955 14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.028 8.291 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.343 9.593 18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.070 9.225 18.082 1.00 0.00 H new ATOM 562 N GLY A 34 2.059 12.876 12.719 1.00 0.00 N ATOM 563 CA GLY A 34 1.475 13.784 11.769 1.00 0.00 C ATOM 564 C GLY A 34 0.349 13.154 11.047 1.00 0.00 C ATOM 565 O GLY A 34 0.431 12.813 9.869 1.00 0.00 O ATOM 0 H GLY A 34 1.740 13.041 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.125 14.678 12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.234 14.105 11.055 1.00 0.00 H new ATOM 569 N LEU A 35 -0.765 13.060 11.786 1.00 0.00 N ATOM 570 CA LEU A 35 -2.061 12.747 11.280 1.00 0.00 C ATOM 571 C LEU A 35 -2.807 14.024 11.276 1.00 0.00 C ATOM 572 O LEU A 35 -3.966 14.102 10.875 1.00 0.00 O ATOM 573 CB LEU A 35 -2.878 11.977 12.297 1.00 0.00 C ATOM 574 CG LEU A 35 -2.402 10.557 12.639 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.438 9.640 11.411 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.066 10.427 13.395 1.00 0.00 C ATOM 0 H LEU A 35 -0.761 13.211 12.795 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.937 12.217 10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.905 12.557 13.219 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.902 11.912 11.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.137 10.224 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.095 8.644 11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.458 9.579 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.787 10.044 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.849 9.374 13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.266 10.867 12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.136 10.949 14.350 1.00 0.00 H new ATOM 588 N THR A 36 -2.117 15.046 11.799 1.00 0.00 N ATOM 589 CA THR A 36 -2.690 16.308 12.197 1.00 0.00 C ATOM 590 C THR A 36 -2.954 17.238 11.055 1.00 0.00 C ATOM 591 O THR A 36 -3.549 18.294 11.257 1.00 0.00 O ATOM 592 CB THR A 36 -1.794 17.065 13.139 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.439 16.893 12.754 1.00 0.00 O ATOM 594 CG2 THR A 36 -2.018 16.526 14.556 1.00 0.00 C ATOM 0 H THR A 36 -1.110 15.000 11.956 1.00 0.00 H new ATOM 0 HA THR A 36 -3.628 16.021 12.672 1.00 0.00 H new ATOM 0 HB THR A 36 -2.026 18.130 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.141 17.389 13.369 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.377 17.063 15.255 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.061 16.668 14.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.776 15.464 14.584 1.00 0.00 H new ATOM 602 N SER A 37 -2.551 16.873 9.826 1.00 0.00 N ATOM 603 CA SER A 37 -2.780 17.681 8.674 1.00 0.00 C ATOM 604 C SER A 37 -3.616 16.901 7.701 1.00 0.00 C ATOM 605 O SER A 37 -3.049 16.051 7.017 1.00 0.00 O ATOM 606 CB SER A 37 -1.446 17.962 7.978 1.00 0.00 C ATOM 607 OG SER A 37 -0.697 18.916 8.717 1.00 0.00 O ATOM 0 H SER A 37 -2.058 16.002 9.631 1.00 0.00 H new ATOM 0 HA SER A 37 -3.268 18.608 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.876 17.038 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.625 18.333 6.969 1.00 0.00 H new ATOM 0 HG SER A 37 0.155 19.086 8.263 1.00 0.00 H new ATOM 613 N PRO A 38 -4.915 17.119 7.527 1.00 0.00 N ATOM 614 CA PRO A 38 -5.854 17.715 8.451 1.00 0.00 C ATOM 615 C PRO A 38 -6.160 16.679 9.499 1.00 0.00 C ATOM 616 O PRO A 38 -5.858 15.507 9.274 1.00 0.00 O ATOM 617 CB PRO A 38 -7.094 17.970 7.592 1.00 0.00 C ATOM 618 CG PRO A 38 -7.048 16.891 6.507 1.00 0.00 C ATOM 619 CD PRO A 38 -5.550 16.661 6.306 1.00 0.00 C ATOM 0 HA PRO A 38 -5.500 18.622 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.007 17.897 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.075 18.969 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.556 15.980 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.531 17.223 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.337 15.608 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.182 17.214 5.442 1.00 0.00 H new ATOM 627 N CYS A 39 -6.752 17.110 10.647 1.00 0.00 N ATOM 628 CA CYS A 39 -6.961 16.310 11.817 1.00 0.00 C ATOM 629 C CYS A 39 -7.757 15.077 11.534 1.00 0.00 C ATOM 630 O CYS A 39 -8.865 15.139 10.999 1.00 0.00 O ATOM 631 CB CYS A 39 -7.751 17.056 12.906 1.00 0.00 C ATOM 632 SG CYS A 39 -7.112 18.709 13.309 1.00 0.00 S ATOM 0 H CYS A 39 -7.098 18.064 10.754 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.953 16.065 12.151 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.788 17.151 12.583 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.754 16.451 13.813 1.00 0.00 H new ATOM 637 N LYS A 40 -7.168 13.924 11.913 1.00 0.00 N ATOM 638 CA LYS A 40 -7.791 12.640 11.810 1.00 0.00 C ATOM 639 C LYS A 40 -8.763 12.571 12.943 1.00 0.00 C ATOM 640 O LYS A 40 -8.484 13.068 14.031 1.00 0.00 O ATOM 641 CB LYS A 40 -6.749 11.503 11.929 1.00 0.00 C ATOM 642 CG LYS A 40 -7.276 10.068 11.773 1.00 0.00 C ATOM 643 CD LYS A 40 -7.924 9.769 10.414 1.00 0.00 C ATOM 644 CE LYS A 40 -8.418 8.324 10.308 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.051 8.095 8.992 1.00 0.00 N ATOM 0 H LYS A 40 -6.227 13.887 12.304 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.280 12.516 10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.978 11.667 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.265 11.584 12.902 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.451 9.373 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.006 9.876 12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.761 10.449 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.203 9.963 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.583 7.636 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.133 8.117 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.382 7.111 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.859 8.740 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.358 8.273 8.238 1.00 0.00 H new ATOM 659 N ASP A 41 -9.942 11.966 12.684 1.00 0.00 N ATOM 660 CA ASP A 41 -11.033 11.964 13.615 1.00 0.00 C ATOM 661 C ASP A 41 -10.808 10.979 14.714 1.00 0.00 C ATOM 662 O ASP A 41 -11.135 11.261 15.864 1.00 0.00 O ATOM 663 CB ASP A 41 -12.377 11.616 12.961 1.00 0.00 C ATOM 664 CG ASP A 41 -12.628 12.620 11.846 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.713 13.839 12.154 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.736 12.180 10.670 1.00 0.00 O ATOM 0 H ASP A 41 -10.140 11.471 11.814 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.074 12.981 14.005 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.356 10.601 12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.180 11.654 13.697 1.00 0.00 H new ATOM 671 N ILE A 42 -10.262 9.790 14.388 1.00 0.00 N ATOM 672 CA ILE A 42 -9.993 8.811 15.399 1.00 0.00 C ATOM 673 C ILE A 42 -8.792 8.060 14.921 1.00 0.00 C ATOM 674 O ILE A 42 -8.755 7.587 13.785 1.00 0.00 O ATOM 675 CB ILE A 42 -11.195 7.911 15.712 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.960 6.968 16.921 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.750 7.194 14.459 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.486 5.547 16.591 1.00 0.00 C ATOM 0 H ILE A 42 -10.010 9.510 13.440 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.796 9.286 16.360 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.991 8.581 16.036 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.223 7.431 17.578 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.890 6.896 17.485 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.599 6.572 14.742 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.072 7.936 13.728 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.971 6.569 14.023 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.357 4.983 17.515 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.228 5.052 15.965 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.536 5.595 16.059 1.00 0.00 H new ATOM 690 N ASN A 43 -7.769 7.935 15.792 1.00 0.00 N ATOM 691 CA ASN A 43 -6.653 7.100 15.460 1.00 0.00 C ATOM 692 C ASN A 43 -6.131 6.548 16.742 1.00 0.00 C ATOM 693 O ASN A 43 -5.836 7.287 17.680 1.00 0.00 O ATOM 694 CB ASN A 43 -5.517 7.810 14.705 1.00 0.00 C ATOM 695 CG ASN A 43 -4.884 6.808 13.745 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.480 6.440 12.725 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.638 6.369 14.091 1.00 0.00 N ATOM 0 H ASN A 43 -7.714 8.397 16.700 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.007 6.331 14.774 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.904 8.669 14.157 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.772 8.188 15.406 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.149 5.701 13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.197 6.709 14.946 1.00 0.00 H new ATOM 704 N THR A 44 -6.032 5.207 16.798 1.00 0.00 N ATOM 705 CA THR A 44 -5.697 4.517 18.006 1.00 0.00 C ATOM 706 C THR A 44 -4.245 4.185 17.990 1.00 0.00 C ATOM 707 O THR A 44 -3.789 3.443 17.126 1.00 0.00 O ATOM 708 CB THR A 44 -6.491 3.247 18.136 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.869 3.576 18.093 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.182 2.558 19.471 1.00 0.00 C ATOM 0 H THR A 44 -6.186 4.595 15.997 1.00 0.00 H new ATOM 0 HA THR A 44 -5.931 5.162 18.853 1.00 0.00 H new ATOM 0 HB THR A 44 -6.229 2.570 17.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.398 2.807 18.391 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.765 1.640 19.550 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.120 2.319 19.520 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.442 3.225 20.293 1.00 0.00 H new ATOM 718 N PHE A 45 -3.491 4.698 18.982 1.00 0.00 N ATOM 719 CA PHE A 45 -2.120 4.309 19.131 1.00 0.00 C ATOM 720 C PHE A 45 -2.097 3.068 19.964 1.00 0.00 C ATOM 721 O PHE A 45 -2.461 3.091 21.135 1.00 0.00 O ATOM 722 CB PHE A 45 -1.197 5.368 19.756 1.00 0.00 C ATOM 723 CG PHE A 45 -1.077 6.505 18.790 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.023 7.512 18.809 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.052 6.570 17.859 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.969 8.546 17.899 1.00 0.00 C ATOM 727 CE2 PHE A 45 0.024 7.624 16.973 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.941 8.611 16.982 1.00 0.00 C ATOM 0 H PHE A 45 -3.824 5.372 19.671 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.722 4.157 18.128 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.604 5.716 20.705 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.216 4.942 19.967 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.813 7.489 19.545 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.693 5.789 17.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.734 9.308 17.904 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.842 7.677 16.269 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.891 9.427 16.277 1.00 0.00 H new ATOM 738 N ILE A 46 -1.670 1.944 19.350 1.00 0.00 N ATOM 739 CA ILE A 46 -1.645 0.651 19.965 1.00 0.00 C ATOM 740 C ILE A 46 -0.276 0.507 20.515 1.00 0.00 C ATOM 741 O ILE A 46 0.685 1.048 19.983 1.00 0.00 O ATOM 742 CB ILE A 46 -1.821 -0.468 18.963 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.088 -0.236 18.116 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.816 -1.854 19.649 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.188 -1.257 16.990 1.00 0.00 C ATOM 0 H ILE A 46 -1.330 1.938 18.388 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.448 0.584 20.699 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.967 -0.461 18.286 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.971 -0.303 18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.071 0.771 17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.945 -2.633 18.897 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.867 -2.001 20.165 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.633 -1.906 20.369 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.091 -1.070 16.409 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.315 -1.171 16.343 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.230 -2.261 17.412 1.00 0.00 H new ATOM 757 N HIS A 47 -0.186 -0.248 21.615 1.00 0.00 N ATOM 758 CA HIS A 47 1.028 -0.472 22.355 1.00 0.00 C ATOM 759 C HIS A 47 1.066 -1.906 22.757 1.00 0.00 C ATOM 760 O HIS A 47 0.074 -2.452 23.239 1.00 0.00 O ATOM 761 CB HIS A 47 1.142 0.313 23.666 1.00 0.00 C ATOM 762 CG HIS A 47 0.325 1.559 23.685 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.550 2.603 22.822 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.703 1.949 24.485 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.332 3.571 23.133 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.114 3.224 24.136 1.00 0.00 N ATOM 0 H HIS A 47 -0.991 -0.729 22.015 1.00 0.00 H new ATOM 0 HA HIS A 47 1.833 -0.153 21.693 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.833 -0.328 24.492 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.187 0.571 23.836 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.253 2.638 22.084 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.135 1.353 25.275 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.392 4.520 22.621 1.00 0.00 H new ATOM 774 N GLY A 48 2.237 -2.549 22.607 1.00 0.00 N ATOM 775 CA GLY A 48 2.370 -3.900 23.057 1.00 0.00 C ATOM 776 C GLY A 48 3.623 -4.411 22.450 1.00 0.00 C ATOM 777 O GLY A 48 4.592 -3.667 22.310 1.00 0.00 O ATOM 0 H GLY A 48 3.074 -2.146 22.185 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.416 -3.946 24.145 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.514 -4.500 22.749 1.00 0.00 H new ATOM 781 N ASN A 49 3.616 -5.706 22.070 1.00 0.00 N ATOM 782 CA ASN A 49 4.684 -6.274 21.302 1.00 0.00 C ATOM 783 C ASN A 49 4.244 -6.237 19.882 1.00 0.00 C ATOM 784 O ASN A 49 3.070 -6.408 19.559 1.00 0.00 O ATOM 785 CB ASN A 49 5.010 -7.741 21.629 1.00 0.00 C ATOM 786 CG ASN A 49 5.948 -7.801 22.832 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.618 -7.364 23.940 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.163 -8.378 22.576 1.00 0.00 N ATOM 0 H ASN A 49 2.867 -6.361 22.296 1.00 0.00 H new ATOM 0 HA ASN A 49 5.582 -5.697 21.525 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.092 -8.289 21.843 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.475 -8.221 20.768 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.853 -8.465 23.322 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.378 -8.721 21.640 1.00 0.00 H new ATOM 795 N LYS A 50 5.223 -6.051 18.979 1.00 0.00 N ATOM 796 CA LYS A 50 4.962 -5.975 17.575 1.00 0.00 C ATOM 797 C LYS A 50 4.954 -7.374 17.026 1.00 0.00 C ATOM 798 O LYS A 50 4.517 -7.619 15.902 1.00 0.00 O ATOM 799 CB LYS A 50 6.090 -5.201 16.866 1.00 0.00 C ATOM 800 CG LYS A 50 5.726 -4.623 15.493 1.00 0.00 C ATOM 801 CD LYS A 50 6.834 -3.724 14.916 1.00 0.00 C ATOM 802 CE LYS A 50 8.092 -4.470 14.460 1.00 0.00 C ATOM 803 NZ LYS A 50 7.785 -5.351 13.313 1.00 0.00 N ATOM 0 H LYS A 50 6.208 -5.952 19.226 1.00 0.00 H new ATOM 0 HA LYS A 50 4.010 -5.471 17.411 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.410 -4.384 17.513 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.945 -5.866 16.747 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.529 -5.441 14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.804 -4.048 15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.429 -3.170 14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.117 -2.990 15.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.865 -3.754 14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.490 -5.062 15.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.015 -6.335 13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.774 -5.279 13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.350 -5.059 12.490 1.00 0.00 H new ATOM 817 N ARG A 51 5.443 -8.324 17.853 1.00 0.00 N ATOM 818 CA ARG A 51 5.412 -9.732 17.608 1.00 0.00 C ATOM 819 C ARG A 51 4.011 -10.225 17.738 1.00 0.00 C ATOM 820 O ARG A 51 3.591 -11.115 17.000 1.00 0.00 O ATOM 821 CB ARG A 51 6.267 -10.519 18.617 1.00 0.00 C ATOM 822 CG ARG A 51 7.730 -10.061 18.652 1.00 0.00 C ATOM 823 CD ARG A 51 8.557 -10.806 19.701 1.00 0.00 C ATOM 824 NE ARG A 51 9.929 -10.225 19.690 1.00 0.00 N ATOM 825 CZ ARG A 51 10.860 -10.614 20.610 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.550 -11.556 21.548 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.106 -10.059 20.589 1.00 0.00 N ATOM 0 H ARG A 51 5.884 -8.091 18.742 1.00 0.00 H new ATOM 0 HA ARG A 51 5.810 -9.889 16.605 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.835 -10.412 19.612 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.230 -11.579 18.366 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.177 -10.211 17.669 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.767 -8.991 18.859 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.106 -10.703 20.688 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.591 -11.872 19.475 1.00 0.00 H new ATOM 0 HE ARG A 51 10.176 -9.528 18.987 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.619 -11.973 21.564 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.249 -11.843 22.233 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.339 -9.356 19.888 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.804 -10.347 21.275 1.00 0.00 H new ATOM 841 N SER A 52 3.262 -9.640 18.694 1.00 0.00 N ATOM 842 CA SER A 52 1.890 -9.941 18.893 1.00 0.00 C ATOM 843 C SER A 52 1.026 -9.199 17.927 1.00 0.00 C ATOM 844 O SER A 52 -0.049 -9.715 17.640 1.00 0.00 O ATOM 845 CB SER A 52 1.412 -9.796 20.343 1.00 0.00 C ATOM 846 OG SER A 52 1.763 -8.549 20.905 1.00 0.00 O ATOM 0 H SER A 52 3.627 -8.941 19.341 1.00 0.00 H new ATOM 0 HA SER A 52 1.788 -11.006 18.683 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.329 -9.915 20.379 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.841 -10.596 20.946 1.00 0.00 H new ATOM 0 HG SER A 52 2.130 -7.967 20.207 1.00 0.00 H new ATOM 852 N ILE A 53 1.455 -8.021 17.385 1.00 0.00 N ATOM 853 CA ILE A 53 0.787 -7.412 16.240 1.00 0.00 C ATOM 854 C ILE A 53 0.755 -8.380 15.071 1.00 0.00 C ATOM 855 O ILE A 53 -0.321 -8.610 14.516 1.00 0.00 O ATOM 856 CB ILE A 53 1.314 -6.029 15.812 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.580 -4.882 16.550 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.173 -5.759 14.295 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.156 -4.528 17.914 1.00 0.00 C ATOM 0 H ILE A 53 2.255 -7.494 17.734 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.227 -7.207 16.582 1.00 0.00 H new ATOM 0 HB ILE A 53 2.371 -6.049 16.076 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.601 -3.992 15.921 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.467 -5.160 16.674 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.564 -4.768 14.064 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.735 -6.509 13.738 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.121 -5.809 14.013 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.577 -3.716 18.354 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.110 -5.400 18.566 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.194 -4.214 17.800 1.00 0.00 H new ATOM 871 N LYS A 54 1.917 -8.974 14.688 1.00 0.00 N ATOM 872 CA LYS A 54 2.014 -9.895 13.574 1.00 0.00 C ATOM 873 C LYS A 54 1.200 -11.124 13.787 1.00 0.00 C ATOM 874 O LYS A 54 0.537 -11.595 12.862 1.00 0.00 O ATOM 875 CB LYS A 54 3.430 -10.428 13.322 1.00 0.00 C ATOM 876 CG LYS A 54 4.351 -9.376 12.709 1.00 0.00 C ATOM 877 CD LYS A 54 5.815 -9.830 12.685 1.00 0.00 C ATOM 878 CE LYS A 54 6.793 -8.732 12.260 1.00 0.00 C ATOM 879 NZ LYS A 54 6.507 -8.270 10.885 1.00 0.00 N ATOM 0 H LYS A 54 2.806 -8.812 15.161 1.00 0.00 H new ATOM 0 HA LYS A 54 1.666 -9.292 12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.857 -10.776 14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.377 -11.291 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.024 -9.157 11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.269 -8.449 13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.092 -10.187 13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.913 -10.675 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.725 -7.892 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.814 -9.108 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.386 -7.936 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.116 -9.057 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.817 -7.492 10.917 1.00 0.00 H new ATOM 893 N ALA A 55 1.214 -11.654 15.030 1.00 0.00 N ATOM 894 CA ALA A 55 0.471 -12.827 15.386 1.00 0.00 C ATOM 895 C ALA A 55 -0.949 -12.504 15.764 1.00 0.00 C ATOM 896 O ALA A 55 -1.541 -13.231 16.551 1.00 0.00 O ATOM 897 CB ALA A 55 1.110 -13.585 16.565 1.00 0.00 C ATOM 0 H ALA A 55 1.752 -11.259 15.801 1.00 0.00 H new ATOM 0 HA ALA A 55 0.483 -13.454 14.495 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.512 -14.466 16.798 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.120 -13.893 16.295 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.151 -12.933 17.437 1.00 0.00 H new ATOM 903 N ILE A 56 -1.570 -11.437 15.206 1.00 0.00 N ATOM 904 CA ILE A 56 -3.004 -11.351 15.215 1.00 0.00 C ATOM 905 C ILE A 56 -3.442 -12.066 13.988 1.00 0.00 C ATOM 906 O ILE A 56 -4.520 -12.662 13.961 1.00 0.00 O ATOM 907 CB ILE A 56 -3.557 -9.937 15.265 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.080 -9.221 16.548 1.00 0.00 C ATOM 909 CG2 ILE A 56 -5.099 -9.951 15.210 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.137 -10.091 17.809 1.00 0.00 C ATOM 0 H ILE A 56 -1.092 -10.654 14.760 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.393 -11.798 16.130 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.185 -9.394 14.396 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.055 -8.880 16.401 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.692 -8.333 16.704 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.474 -8.928 15.247 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.426 -10.424 14.284 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.488 -10.511 16.060 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.786 -9.515 18.665 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.164 -10.411 17.984 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.502 -10.967 17.676 1.00 0.00 H new ATOM 922 N CYS A 57 -2.593 -12.035 12.944 1.00 0.00 N ATOM 923 CA CYS A 57 -2.954 -12.684 11.730 1.00 0.00 C ATOM 924 C CYS A 57 -2.635 -14.142 11.804 1.00 0.00 C ATOM 925 O CYS A 57 -3.512 -14.981 11.600 1.00 0.00 O ATOM 926 CB CYS A 57 -2.284 -12.106 10.486 1.00 0.00 C ATOM 927 SG CYS A 57 -3.027 -12.873 9.028 1.00 0.00 S ATOM 0 H CYS A 57 -1.683 -11.574 12.941 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.026 -12.517 11.626 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.414 -11.024 10.453 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.211 -12.297 10.510 1.00 0.00 H new ATOM 932 N GLU A 58 -1.355 -14.471 12.068 1.00 0.00 N ATOM 933 CA GLU A 58 -0.894 -15.820 11.919 1.00 0.00 C ATOM 934 C GLU A 58 -1.082 -16.611 13.180 1.00 0.00 C ATOM 935 O GLU A 58 -0.340 -16.444 14.147 1.00 0.00 O ATOM 936 CB GLU A 58 0.570 -15.914 11.431 1.00 0.00 C ATOM 937 CG GLU A 58 1.561 -14.979 12.140 1.00 0.00 C ATOM 938 CD GLU A 58 2.932 -15.169 11.507 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.069 -14.881 10.288 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.863 -15.601 12.238 1.00 0.00 O ATOM 0 H GLU A 58 -0.645 -13.810 12.382 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.515 -16.259 11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.912 -16.941 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.594 -15.699 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.239 -13.942 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.600 -15.204 13.206 1.00 0.00 H new ATOM 947 N ASN A 59 -2.080 -17.531 13.120 1.00 0.00 N ATOM 948 CA ASN A 59 -2.319 -18.662 13.992 1.00 0.00 C ATOM 949 C ASN A 59 -2.459 -18.370 15.451 1.00 0.00 C ATOM 950 O ASN A 59 -3.576 -18.220 15.945 1.00 0.00 O ATOM 951 CB ASN A 59 -1.289 -19.795 13.816 1.00 0.00 C ATOM 952 CG ASN A 59 -1.315 -20.245 12.355 1.00 0.00 C ATOM 953 OD1 ASN A 59 -2.331 -20.742 11.855 1.00 0.00 O ATOM 954 ND2 ASN A 59 -0.148 -20.058 11.664 1.00 0.00 N ATOM 0 H ASN A 59 -2.788 -17.476 12.388 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.302 -18.983 13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.292 -19.448 14.089 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.527 -20.630 14.475 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.086 -20.334 10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.659 -19.643 12.129 1.00 0.00 H new ATOM 961 N LYS A 60 -1.314 -18.345 16.163 1.00 0.00 N ATOM 962 CA LYS A 60 -1.225 -18.137 17.579 1.00 0.00 C ATOM 963 C LYS A 60 -1.650 -16.733 17.863 1.00 0.00 C ATOM 964 O LYS A 60 -1.391 -15.842 17.066 1.00 0.00 O ATOM 965 CB LYS A 60 0.226 -18.344 18.075 1.00 0.00 C ATOM 966 CG LYS A 60 0.427 -18.395 19.600 1.00 0.00 C ATOM 967 CD LYS A 60 -0.295 -19.563 20.288 1.00 0.00 C ATOM 968 CE LYS A 60 -0.010 -19.626 21.790 1.00 0.00 C ATOM 969 NZ LYS A 60 -0.731 -20.764 22.399 1.00 0.00 N ATOM 0 H LYS A 60 -0.402 -18.477 15.727 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.865 -18.852 18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.603 -19.274 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.842 -17.538 17.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.494 -18.465 19.813 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.076 -17.459 20.034 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.369 -19.466 20.129 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.013 -20.500 19.824 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.061 -19.732 21.960 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.318 -18.695 22.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.530 -20.797 23.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.754 -20.646 22.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.417 -21.651 21.956 1.00 0.00 H new ATOM 983 N ASN A 61 -2.318 -16.551 19.023 1.00 0.00 N ATOM 984 CA ASN A 61 -2.912 -15.362 19.598 1.00 0.00 C ATOM 985 C ASN A 61 -3.709 -14.466 18.678 1.00 0.00 C ATOM 986 O ASN A 61 -3.680 -13.244 18.815 1.00 0.00 O ATOM 987 CB ASN A 61 -1.972 -14.549 20.535 1.00 0.00 C ATOM 988 CG ASN A 61 -0.681 -14.051 19.869 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.287 -14.802 19.708 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.661 -12.730 19.524 1.00 0.00 N ATOM 0 H ASN A 61 -2.462 -17.347 19.644 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.673 -15.822 20.229 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.520 -13.690 20.922 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.708 -15.170 21.391 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.179 -12.323 19.113 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.486 -12.150 19.677 1.00 0.00 H new ATOM 997 N GLY A 62 -4.498 -15.045 17.749 1.00 0.00 N ATOM 998 CA GLY A 62 -5.446 -14.247 17.028 1.00 0.00 C ATOM 999 C GLY A 62 -6.138 -15.172 16.088 1.00 0.00 C ATOM 1000 O GLY A 62 -5.499 -16.003 15.446 1.00 0.00 O ATOM 0 H GLY A 62 -4.482 -16.035 17.503 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.158 -13.779 17.708 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.947 -13.444 16.487 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.480 -15.052 16.026 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.327 -16.053 15.442 1.00 0.00 C ATOM 1006 C ASN A 63 -9.109 -15.377 14.348 1.00 0.00 C ATOM 1007 O ASN A 63 -9.154 -14.148 14.356 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.266 -16.688 16.504 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.059 -15.636 17.290 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.187 -15.286 16.924 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.458 -15.170 18.429 1.00 0.00 N ATOM 0 H ASN A 63 -7.987 -14.244 16.388 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.733 -16.873 15.038 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.960 -17.368 16.010 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.674 -17.285 17.197 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.944 -14.499 19.024 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.525 -15.494 18.682 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.723 -16.093 13.407 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.435 -15.488 12.311 1.00 0.00 C ATOM 1020 C PRO A 64 -11.742 -14.963 12.825 1.00 0.00 C ATOM 1021 O PRO A 64 -12.302 -15.516 13.773 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.639 -16.604 11.283 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.420 -17.904 12.060 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.426 -17.491 13.144 1.00 0.00 C ATOM 0 HA PRO A 64 -9.901 -14.652 11.859 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.640 -16.566 10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.933 -16.514 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.349 -18.281 12.487 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.019 -18.692 11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.546 -18.097 14.042 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.397 -17.620 12.807 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.219 -13.872 12.195 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.314 -13.107 12.701 1.00 0.00 C ATOM 1034 C HIS A 65 -14.035 -12.558 11.518 1.00 0.00 C ATOM 1035 O HIS A 65 -13.475 -11.758 10.772 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.791 -11.928 13.543 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.816 -10.924 13.969 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.836 -11.216 14.832 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.887 -9.600 13.696 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.508 -10.097 15.073 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.950 -9.102 14.398 1.00 0.00 N ATOM 0 H HIS A 65 -11.836 -13.517 11.319 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.959 -13.727 13.324 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.310 -12.329 14.435 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.020 -11.411 12.971 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.229 -9.042 13.047 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.371 -10.011 15.716 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.260 -8.130 14.401 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.311 -12.974 11.350 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.193 -12.545 10.293 1.00 0.00 C ATOM 1052 C ARG A 66 -15.703 -13.032 8.959 1.00 0.00 C ATOM 1053 O ARG A 66 -15.756 -14.229 8.680 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.483 -11.025 10.241 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.140 -10.492 11.522 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.316 -8.974 11.495 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.930 -8.566 12.792 1.00 0.00 N ATOM 1058 CZ ARG A 66 -17.953 -7.256 13.177 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.426 -6.289 12.371 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -18.504 -6.914 14.378 1.00 0.00 N ATOM 0 H ARG A 66 -15.751 -13.643 11.982 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.151 -13.005 10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.550 -10.489 10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.133 -10.814 9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.113 -10.966 11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.531 -10.770 12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.355 -8.480 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.952 -8.677 10.661 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.339 -9.276 13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.011 -6.543 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.447 -5.313 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.896 -7.635 14.983 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.524 -5.937 14.670 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.243 -12.100 8.094 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.847 -12.397 6.752 1.00 0.00 C ATOM 1076 C GLU A 67 -13.577 -11.654 6.535 1.00 0.00 C ATOM 1077 O GLU A 67 -13.583 -10.475 6.181 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.845 -11.931 5.672 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.146 -12.743 5.645 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.023 -12.206 4.524 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.592 -12.285 3.342 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.139 -11.711 4.835 1.00 0.00 O ATOM 0 H GLU A 67 -15.146 -11.115 8.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.772 -13.480 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.085 -10.881 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.366 -11.996 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.931 -13.799 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.662 -12.664 6.602 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.459 -12.380 6.750 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.074 -12.025 6.502 1.00 0.00 C ATOM 1091 C ASN A 68 -10.560 -10.886 7.340 1.00 0.00 C ATOM 1092 O ASN A 68 -9.567 -10.249 6.990 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.623 -11.924 5.009 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.309 -10.829 4.174 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -12.278 -11.111 3.456 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.772 -9.575 4.246 1.00 0.00 N ATOM 0 H ASN A 68 -12.528 -13.320 7.140 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.569 -12.924 6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.547 -11.752 4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.802 -12.886 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.170 -8.817 3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.973 -9.397 4.854 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.201 -10.645 8.501 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.666 -9.778 9.505 1.00 0.00 C ATOM 1105 C LEU A 69 -10.239 -10.751 10.535 1.00 0.00 C ATOM 1106 O LEU A 69 -10.643 -11.910 10.481 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.683 -8.796 10.118 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.354 -7.841 9.104 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.300 -6.862 9.820 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.341 -7.047 8.265 1.00 0.00 C ATOM 0 H LEU A 69 -12.101 -11.058 8.744 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.892 -9.128 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.459 -9.369 10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.178 -8.200 10.878 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.921 -8.475 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.761 -6.200 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.076 -7.422 10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.734 -6.270 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.874 -6.395 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.716 -6.444 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.713 -7.738 7.703 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.382 -10.328 11.481 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.873 -11.241 12.463 1.00 0.00 C ATOM 1124 C ARG A 70 -8.795 -10.485 13.734 1.00 0.00 C ATOM 1125 O ARG A 70 -8.180 -9.422 13.805 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.498 -11.861 12.131 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.593 -12.831 10.944 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.414 -13.779 10.775 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.837 -14.886 9.866 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.826 -14.764 8.504 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.385 -13.622 7.901 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -7.268 -15.803 7.736 1.00 0.00 N ATOM 0 H ARG A 70 -9.044 -9.370 11.568 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.547 -12.096 12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.786 -11.069 11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.115 -12.389 13.004 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.501 -13.424 11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.702 -12.248 10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.557 -13.250 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.104 -14.177 11.741 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.146 -15.767 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.056 -12.840 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.384 -13.550 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.602 -16.659 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.264 -15.723 6.719 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.457 -11.044 14.767 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.594 -10.398 16.034 1.00 0.00 C ATOM 1148 C ILE A 71 -8.516 -10.970 16.889 1.00 0.00 C ATOM 1149 O ILE A 71 -8.165 -12.142 16.760 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.988 -10.584 16.623 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.279 -9.607 17.778 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.255 -12.047 17.029 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.780 -9.478 18.052 1.00 0.00 C ATOM 0 H ILE A 71 -9.904 -11.960 14.719 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.487 -9.316 15.951 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.690 -10.339 15.826 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.773 -9.951 18.680 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.868 -8.627 17.536 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.260 -12.132 17.443 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.168 -12.689 16.153 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.526 -12.355 17.778 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.941 -8.780 18.873 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.283 -9.109 17.158 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.186 -10.453 18.320 1.00 0.00 H new ATOM 1165 N SER A 72 -7.948 -10.129 17.770 1.00 0.00 N ATOM 1166 CA SER A 72 -6.860 -10.537 18.602 1.00 0.00 C ATOM 1167 C SER A 72 -7.359 -11.244 19.809 1.00 0.00 C ATOM 1168 O SER A 72 -8.504 -11.078 20.230 1.00 0.00 O ATOM 1169 CB SER A 72 -6.011 -9.361 19.098 1.00 0.00 C ATOM 1170 OG SER A 72 -6.751 -8.497 19.934 1.00 0.00 O ATOM 0 H SER A 72 -8.244 -9.162 17.907 1.00 0.00 H new ATOM 0 HA SER A 72 -6.247 -11.187 17.977 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.146 -9.741 19.642 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.630 -8.802 18.244 1.00 0.00 H new ATOM 0 HG SER A 72 -6.136 -7.962 20.478 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.453 -12.052 20.395 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.715 -12.783 21.593 1.00 0.00 C ATOM 1178 C LYS A 73 -5.750 -12.253 22.609 1.00 0.00 C ATOM 1179 O LYS A 73 -5.798 -12.622 23.782 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.498 -14.298 21.381 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.156 -15.224 22.417 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.689 -15.161 22.426 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.315 -16.174 23.389 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.790 -16.070 23.352 1.00 0.00 N ATOM 0 H LYS A 73 -5.514 -12.199 20.023 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.750 -12.660 21.912 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.875 -14.564 20.394 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.426 -14.494 21.376 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.846 -16.250 22.220 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.786 -14.964 23.409 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.006 -14.156 22.705 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.062 -15.345 21.418 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.007 -17.184 23.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.956 -15.994 24.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.203 -16.762 24.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.078 -15.111 23.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.128 -16.264 22.388 1.00 0.00 H new ATOM 1198 N SER A 74 -4.844 -11.353 22.164 1.00 0.00 N ATOM 1199 CA SER A 74 -3.874 -10.724 22.989 1.00 0.00 C ATOM 1200 C SER A 74 -4.232 -9.280 22.938 1.00 0.00 C ATOM 1201 O SER A 74 -3.758 -8.535 22.085 1.00 0.00 O ATOM 1202 CB SER A 74 -2.455 -10.914 22.439 1.00 0.00 C ATOM 1203 OG SER A 74 -2.455 -10.783 21.026 1.00 0.00 O ATOM 0 H SER A 74 -4.794 -11.059 21.189 1.00 0.00 H new ATOM 0 HA SER A 74 -3.876 -11.141 23.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.785 -10.176 22.880 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.077 -11.897 22.720 1.00 0.00 H new ATOM 0 HG SER A 74 -2.878 -9.935 20.776 1.00 0.00 H new ATOM 1209 N SER A 75 -5.113 -8.885 23.873 1.00 0.00 N ATOM 1210 CA SER A 75 -5.559 -7.532 24.102 1.00 0.00 C ATOM 1211 C SER A 75 -4.394 -6.617 24.349 1.00 0.00 C ATOM 1212 O SER A 75 -3.527 -6.908 25.172 1.00 0.00 O ATOM 1213 CB SER A 75 -6.493 -7.450 25.321 1.00 0.00 C ATOM 1214 OG SER A 75 -6.909 -6.113 25.544 1.00 0.00 O ATOM 0 H SER A 75 -5.546 -9.549 24.515 1.00 0.00 H new ATOM 0 HA SER A 75 -6.095 -7.223 23.205 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.364 -8.085 25.161 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.980 -7.829 26.205 1.00 0.00 H new ATOM 0 HG SER A 75 -6.574 -5.807 26.412 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.352 -5.490 23.599 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.204 -4.627 23.567 1.00 0.00 C ATOM 1222 C PHE A 76 -3.569 -3.397 24.300 1.00 0.00 C ATOM 1223 O PHE A 76 -4.749 -3.078 24.436 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.818 -4.129 22.158 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.410 -5.233 21.243 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.387 -5.919 20.553 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.074 -5.530 20.999 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -3.044 -6.927 19.690 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.724 -6.538 20.116 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.723 -7.248 19.487 1.00 0.00 C ATOM 0 H PHE A 76 -5.123 -5.177 23.010 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.375 -5.204 23.978 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.664 -3.597 21.722 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.000 -3.413 22.243 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.426 -5.661 20.693 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.301 -4.969 21.503 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.816 -7.472 19.167 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.315 -6.764 19.924 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.466 -8.064 18.828 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.537 -2.668 24.767 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.728 -1.402 25.395 1.00 0.00 C ATOM 1242 C GLN A 77 -2.991 -0.406 24.343 1.00 0.00 C ATOM 1243 O GLN A 77 -2.476 -0.526 23.237 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.524 -0.926 26.220 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.898 -1.934 27.181 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.441 -1.140 28.402 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.523 -0.368 28.355 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.204 -1.342 29.521 1.00 0.00 N ATOM 0 H GLN A 77 -1.562 -2.962 24.707 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.560 -1.513 26.090 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.750 -0.592 25.528 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.833 -0.055 26.797 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.620 -2.700 27.464 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.057 -2.446 26.713 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.988 -1.994 29.493 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.989 -0.840 30.382 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.837 0.594 24.659 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.368 1.432 23.629 1.00 0.00 C ATOM 1259 C VAL A 78 -4.484 2.818 24.196 1.00 0.00 C ATOM 1260 O VAL A 78 -4.739 2.999 25.382 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.697 0.848 23.169 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.835 1.873 22.981 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.375 0.052 21.892 1.00 0.00 C ATOM 0 H VAL A 78 -4.147 0.818 25.605 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.728 1.484 22.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.111 0.210 23.950 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.738 1.358 22.653 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.029 2.378 23.927 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.543 2.607 22.230 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.289 -0.398 21.504 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.953 0.722 21.142 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.654 -0.732 22.124 1.00 0.00 H new ATOM 1273 N THR A 79 -4.287 3.840 23.337 1.00 0.00 N ATOM 1274 CA THR A 79 -4.671 5.188 23.638 1.00 0.00 C ATOM 1275 C THR A 79 -5.397 5.604 22.412 1.00 0.00 C ATOM 1276 O THR A 79 -4.777 5.922 21.399 1.00 0.00 O ATOM 1277 CB THR A 79 -3.535 6.153 23.895 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.780 5.710 25.008 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.077 7.560 24.218 1.00 0.00 C ATOM 0 H THR A 79 -3.855 3.728 22.420 1.00 0.00 H new ATOM 0 HA THR A 79 -5.240 5.212 24.568 1.00 0.00 H new ATOM 0 HB THR A 79 -2.917 6.195 22.998 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.250 4.926 24.753 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.243 8.238 24.399 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.665 7.925 23.376 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.706 7.512 25.107 1.00 0.00 H new ATOM 1287 N THR A 80 -6.741 5.602 22.492 1.00 0.00 N ATOM 1288 CA THR A 80 -7.573 6.038 21.411 1.00 0.00 C ATOM 1289 C THR A 80 -7.571 7.527 21.455 1.00 0.00 C ATOM 1290 O THR A 80 -8.235 8.133 22.293 1.00 0.00 O ATOM 1291 CB THR A 80 -8.987 5.525 21.513 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.958 4.108 21.582 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.803 5.945 20.279 1.00 0.00 C ATOM 0 H THR A 80 -7.257 5.294 23.316 1.00 0.00 H new ATOM 0 HA THR A 80 -7.181 5.647 20.472 1.00 0.00 H new ATOM 0 HB THR A 80 -9.452 5.944 22.406 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.873 3.765 21.650 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.821 5.566 20.370 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.825 7.033 20.211 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.342 5.534 19.381 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.810 8.146 20.533 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.732 9.569 20.471 1.00 0.00 C ATOM 1303 C CYS A 81 -7.820 9.973 19.550 1.00 0.00 C ATOM 1304 O CYS A 81 -7.771 9.680 18.356 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.422 10.065 19.861 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.070 9.994 21.046 1.00 0.00 S ATOM 0 H CYS A 81 -6.250 7.659 19.833 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.802 9.981 21.478 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.174 9.460 18.989 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.548 11.090 19.513 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.836 10.644 20.112 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.027 10.948 19.378 1.00 0.00 C ATOM 1313 C LYS A 82 -10.156 12.427 19.405 1.00 0.00 C ATOM 1314 O LYS A 82 -9.854 13.062 20.413 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.288 10.298 19.968 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.471 10.285 18.989 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.678 9.529 19.550 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.849 9.416 18.570 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.478 8.591 17.399 1.00 0.00 N ATOM 0 H LYS A 82 -8.836 10.978 21.076 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.943 10.549 18.367 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.058 9.275 20.264 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.577 10.834 20.872 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.761 11.310 18.759 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.160 9.824 18.052 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.363 8.527 19.842 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.021 10.032 20.454 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.709 8.974 19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.149 10.410 18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.338 8.204 16.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.971 9.179 16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.864 7.810 17.705 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.574 12.998 18.262 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.569 14.413 18.026 1.00 0.00 C ATOM 1335 C LEU A 83 -11.761 14.989 18.711 1.00 0.00 C ATOM 1336 O LEU A 83 -12.900 14.628 18.417 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.680 14.706 16.510 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.555 16.174 16.040 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.118 16.710 16.142 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -11.055 16.294 14.587 1.00 0.00 C ATOM 0 H LEU A 83 -10.928 12.458 17.473 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.643 14.848 18.402 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.910 14.126 16.001 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.643 14.327 16.167 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.170 16.781 16.705 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.090 17.744 15.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.785 16.662 17.179 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.459 16.104 15.521 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.967 17.329 14.256 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.454 15.654 13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.099 15.984 14.535 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.497 15.915 19.651 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.526 16.628 20.343 1.00 0.00 C ATOM 1354 C HIS A 84 -12.075 18.044 20.347 1.00 0.00 C ATOM 1355 O HIS A 84 -11.939 18.675 21.394 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.735 16.137 21.786 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.300 14.749 21.817 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.681 13.548 21.875 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.639 14.507 21.684 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -13.652 12.590 21.782 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.826 13.195 21.669 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.552 16.173 19.935 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.486 16.482 19.848 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.785 16.156 22.319 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.408 16.817 22.309 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.412 15.257 21.605 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.490 11.522 21.798 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.728 12.726 21.584 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.829 18.555 19.127 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.415 19.908 18.911 1.00 0.00 C ATOM 1372 C GLY A 85 -12.574 20.605 18.300 1.00 0.00 C ATOM 1373 O GLY A 85 -13.386 21.217 18.992 1.00 0.00 O ATOM 0 H GLY A 85 -11.920 18.013 18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.127 20.381 19.850 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.546 19.949 18.254 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.655 20.511 16.962 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.704 21.136 16.214 1.00 0.00 C ATOM 1379 C GLY A 86 -13.070 21.715 14.998 1.00 0.00 C ATOM 1380 O GLY A 86 -13.759 22.048 14.035 1.00 0.00 O ATOM 0 H GLY A 86 -11.986 19.996 16.390 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.472 20.411 15.943 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.192 21.912 16.804 1.00 0.00 H new ATOM 1384 N SER A 87 -11.728 21.849 15.035 1.00 0.00 N ATOM 1385 CA SER A 87 -10.973 22.367 13.934 1.00 0.00 C ATOM 1386 C SER A 87 -10.688 21.217 13.008 1.00 0.00 C ATOM 1387 O SER A 87 -10.262 20.172 13.502 1.00 0.00 O ATOM 1388 CB SER A 87 -9.611 22.932 14.367 1.00 0.00 C ATOM 1389 OG SER A 87 -9.795 23.997 15.287 1.00 0.00 O ATOM 0 H SER A 87 -11.160 21.593 15.843 1.00 0.00 H new ATOM 0 HA SER A 87 -11.552 23.168 13.475 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.011 22.145 14.825 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.061 23.286 13.495 1.00 0.00 H new ATOM 0 HG SER A 87 -8.922 24.349 15.558 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.863 21.334 11.696 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.414 20.325 10.779 1.00 0.00 C ATOM 1397 C PRO A 88 -8.948 20.505 10.569 1.00 0.00 C ATOM 1398 O PRO A 88 -8.290 19.532 10.224 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.118 20.624 9.455 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.299 21.519 9.832 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.791 22.260 11.069 1.00 0.00 C ATOM 0 HA PRO A 88 -10.621 19.318 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.449 21.126 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.455 19.708 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.556 22.207 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.193 20.936 10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.297 23.193 10.797 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.610 22.517 11.741 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.437 21.738 10.718 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.096 22.070 10.350 1.00 0.00 C ATOM 1411 C TRP A 89 -6.245 22.020 11.582 1.00 0.00 C ATOM 1412 O TRP A 89 -6.810 22.034 12.674 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.062 23.476 9.729 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.977 23.542 8.533 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.165 24.197 8.393 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.775 22.797 7.320 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.707 23.924 7.161 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.865 23.060 6.492 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.772 21.953 6.931 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.965 22.487 5.256 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.876 21.369 5.685 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.954 21.633 4.860 1.00 0.00 C ATOM 0 H TRP A 89 -8.965 22.521 11.102 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.717 21.362 9.613 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.367 24.216 10.470 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.044 23.725 9.430 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.613 24.836 9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.585 24.298 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.929 21.751 7.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.806 22.695 4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.103 20.694 5.349 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.006 21.163 3.889 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.919 21.961 11.474 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.058 21.877 12.623 1.00 0.00 C ATOM 1435 C PRO A 90 -4.048 23.242 13.284 1.00 0.00 C ATOM 1436 O PRO A 90 -4.081 24.213 12.528 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.670 21.522 12.077 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.751 21.758 10.566 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.232 21.554 10.261 1.00 0.00 C ATOM 0 HA PRO A 90 -4.377 21.136 13.356 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.899 22.145 12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.414 20.486 12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.419 22.760 10.297 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.126 21.056 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.547 22.155 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.446 20.514 10.015 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.988 23.412 14.603 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.725 22.365 15.553 1.00 0.00 C ATOM 1449 C PRO A 91 -4.982 21.628 15.857 1.00 0.00 C ATOM 1450 O PRO A 91 -6.081 22.105 15.576 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.282 23.059 16.831 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.753 24.402 16.352 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.632 24.711 15.140 1.00 0.00 C ATOM 0 HA PRO A 91 -2.982 21.669 15.165 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.111 23.181 17.527 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.512 22.488 17.350 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.844 25.168 17.122 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.699 24.346 16.081 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.518 25.277 15.427 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.096 25.310 14.404 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.783 20.438 16.438 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.824 19.481 16.650 1.00 0.00 C ATOM 1463 C CYS A 92 -5.801 19.154 18.105 1.00 0.00 C ATOM 1464 O CYS A 92 -4.778 18.712 18.629 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.570 18.167 15.888 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.285 18.381 14.105 1.00 0.00 S ATOM 0 H CYS A 92 -3.870 20.128 16.772 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.769 19.900 16.304 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.705 17.668 16.325 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.425 17.506 16.031 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.944 19.365 18.787 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.080 19.018 20.173 1.00 0.00 C ATOM 1473 C GLN A 93 -7.557 17.604 20.203 1.00 0.00 C ATOM 1474 O GLN A 93 -8.677 17.312 19.791 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.088 19.932 20.908 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.411 19.565 22.369 1.00 0.00 C ATOM 1477 CD GLN A 93 -7.134 19.496 23.209 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -6.830 18.455 23.802 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -6.391 20.643 23.263 1.00 0.00 N ATOM 0 H GLN A 93 -7.781 19.779 18.376 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.126 19.143 20.685 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.701 20.951 20.890 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.020 19.935 20.343 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.090 20.305 22.792 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.925 18.604 22.402 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.694 21.471 22.751 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.534 20.670 23.815 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.691 16.701 20.704 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.035 15.319 20.853 1.00 0.00 C ATOM 1490 C TYR A 94 -7.250 15.054 22.298 1.00 0.00 C ATOM 1491 O TYR A 94 -6.375 15.308 23.125 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.931 14.354 20.413 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.833 14.416 18.939 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.821 13.799 18.205 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.790 15.039 18.284 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.814 13.828 16.832 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.791 15.080 16.904 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.799 14.486 16.176 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.762 14.507 14.767 1.00 0.00 O ATOM 0 H TYR A 94 -5.745 16.932 21.008 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.912 15.151 20.228 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.980 14.628 20.870 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.160 13.339 20.738 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.618 13.282 18.719 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.983 15.489 18.844 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.598 13.339 16.272 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.989 15.586 16.387 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.562 14.065 14.412 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.430 14.492 22.612 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.707 13.985 23.921 1.00 0.00 C ATOM 1511 C ARG A 95 -8.271 12.557 23.891 1.00 0.00 C ATOM 1512 O ARG A 95 -8.699 11.792 23.028 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.207 14.015 24.270 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.516 13.716 25.745 1.00 0.00 C ATOM 1515 CD ARG A 95 -12.017 13.613 26.027 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.519 12.386 25.345 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.835 12.030 25.422 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.721 12.813 26.103 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -14.265 10.888 24.811 1.00 0.00 N ATOM 0 H ARG A 95 -9.201 14.388 21.952 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.195 14.596 24.664 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.608 14.997 24.018 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.728 13.289 23.647 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.032 12.782 26.031 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.087 14.501 26.368 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.202 13.558 27.100 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.538 14.497 25.658 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.871 11.805 24.814 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.401 13.668 26.557 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.703 12.543 26.158 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.604 10.304 24.299 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.247 10.619 24.866 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.407 12.171 24.850 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.980 10.809 24.965 1.00 0.00 C ATOM 1535 C ALA A 96 -8.030 10.055 25.709 1.00 0.00 C ATOM 1536 O ALA A 96 -8.475 10.482 26.773 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.712 10.656 25.816 1.00 0.00 C ATOM 0 H ALA A 96 -7.005 12.801 25.544 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.797 10.449 23.953 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.434 9.603 25.869 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.899 11.223 25.363 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.901 11.032 26.821 1.00 0.00 H new ATOM 1543 N THR A 97 -8.426 8.896 25.153 1.00 0.00 N ATOM 1544 CA THR A 97 -9.305 7.975 25.809 1.00 0.00 C ATOM 1545 C THR A 97 -8.490 6.726 25.912 1.00 0.00 C ATOM 1546 O THR A 97 -8.485 5.900 25.001 1.00 0.00 O ATOM 1547 CB THR A 97 -10.586 7.733 25.042 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.210 8.980 24.767 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.554 6.862 25.865 1.00 0.00 C ATOM 0 H THR A 97 -8.129 8.591 24.226 1.00 0.00 H new ATOM 0 HA THR A 97 -9.641 8.354 26.774 1.00 0.00 H new ATOM 0 HB THR A 97 -10.344 7.216 24.113 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.040 8.828 24.268 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.470 6.699 25.297 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.085 5.902 26.081 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.793 7.368 26.800 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.758 6.587 27.038 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.866 5.480 27.243 1.00 0.00 C ATOM 1559 C ALA A 98 -7.665 4.277 27.616 1.00 0.00 C ATOM 1560 O ALA A 98 -8.512 4.331 28.507 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.836 5.728 28.355 1.00 0.00 C ATOM 0 H ALA A 98 -7.785 7.249 27.814 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.320 5.339 26.310 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.194 4.853 28.458 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.228 6.596 28.101 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.354 5.911 29.297 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.399 3.157 26.915 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.116 1.940 27.139 1.00 0.00 C ATOM 1569 C GLY A 99 -7.143 0.825 26.978 1.00 0.00 C ATOM 1570 O GLY A 99 -5.934 1.025 26.969 1.00 0.00 O ATOM 0 H GLY A 99 -6.684 3.096 26.190 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.554 1.929 28.137 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.937 1.840 26.430 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.671 -0.400 26.854 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.857 -1.569 26.743 1.00 0.00 C ATOM 1576 C PHE A 100 -7.816 -2.505 26.080 1.00 0.00 C ATOM 1577 O PHE A 100 -8.724 -3.022 26.728 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.379 -2.055 28.138 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.605 -3.329 28.089 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.255 -3.344 27.786 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -6.225 -4.512 28.451 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.567 -4.542 27.771 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.525 -5.701 28.471 1.00 0.00 C ATOM 1584 CZ PHE A 100 -4.194 -5.719 28.116 1.00 0.00 C ATOM 0 H PHE A 100 -8.674 -0.585 26.830 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.924 -1.444 26.193 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.761 -1.280 28.592 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.246 -2.190 28.784 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.740 -2.421 27.562 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.271 -4.505 28.721 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.526 -4.556 27.485 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.019 -6.615 28.764 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.646 -6.650 28.108 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.664 -2.687 24.747 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.695 -3.306 23.961 1.00 0.00 C ATOM 1596 C ARG A 101 -8.058 -4.246 22.998 1.00 0.00 C ATOM 1597 O ARG A 101 -6.939 -4.035 22.533 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.531 -2.324 23.110 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.999 -2.761 22.948 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.740 -2.080 21.791 1.00 0.00 C ATOM 1601 NE ARG A 101 -13.188 -2.443 21.891 1.00 0.00 N ATOM 1602 CZ ARG A 101 -14.099 -1.655 22.537 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.718 -0.505 23.163 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -15.416 -2.020 22.542 1.00 0.00 N ATOM 0 H ARG A 101 -6.836 -2.408 24.220 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.361 -3.786 24.678 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.501 -1.337 23.571 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.076 -2.229 22.124 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.029 -3.840 22.797 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.531 -2.554 23.876 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.614 -0.999 21.842 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.331 -2.404 20.834 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.507 -3.311 21.461 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.739 -0.220 23.154 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.412 0.070 23.640 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.711 -2.873 22.067 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.104 -1.439 23.021 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.815 -5.312 22.681 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.489 -6.253 21.659 1.00 0.00 C ATOM 1620 C ASN A 102 -8.818 -5.621 20.339 1.00 0.00 C ATOM 1621 O ASN A 102 -9.869 -5.003 20.164 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.217 -7.606 21.853 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.744 -7.481 21.855 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.364 -6.781 22.663 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.359 -8.252 20.907 1.00 0.00 N ATOM 0 H ASN A 102 -9.691 -5.525 23.158 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.427 -6.493 21.704 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.917 -8.289 21.058 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.895 -8.052 22.794 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.377 -8.267 20.844 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.800 -8.812 20.264 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.870 -5.754 19.389 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.935 -5.104 18.110 1.00 0.00 C ATOM 1634 C VAL A 103 -8.598 -6.036 17.154 1.00 0.00 C ATOM 1635 O VAL A 103 -8.518 -7.251 17.310 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.571 -4.738 17.540 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.942 -3.637 18.411 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.637 -5.961 17.459 1.00 0.00 C ATOM 0 H VAL A 103 -7.036 -6.328 19.512 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.486 -4.174 18.249 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.708 -4.373 16.522 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.965 -3.369 18.009 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.588 -2.759 18.410 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.827 -4.002 19.432 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.675 -5.657 17.047 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.491 -6.374 18.457 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.084 -6.718 16.815 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.241 -5.471 16.116 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.567 -6.219 14.940 1.00 0.00 C ATOM 1650 C VAL A 104 -8.701 -5.575 13.913 1.00 0.00 C ATOM 1651 O VAL A 104 -8.880 -4.397 13.614 1.00 0.00 O ATOM 1652 CB VAL A 104 -11.020 -6.096 14.520 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.247 -6.707 13.124 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.897 -6.834 15.540 1.00 0.00 C ATOM 0 H VAL A 104 -9.536 -4.495 16.091 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.414 -7.288 15.089 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.283 -5.039 14.481 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.297 -6.605 12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.628 -6.186 12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.977 -7.763 13.141 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.944 -6.752 15.247 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.611 -7.885 15.573 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.760 -6.390 16.526 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.740 -6.342 13.352 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.934 -5.866 12.255 1.00 0.00 C ATOM 1666 C VAL A 105 -7.491 -6.571 11.053 1.00 0.00 C ATOM 1667 O VAL A 105 -8.155 -7.593 11.211 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.436 -6.144 12.396 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.961 -5.665 13.778 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -5.053 -7.623 12.204 1.00 0.00 C ATOM 0 H VAL A 105 -7.520 -7.290 13.656 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.988 -4.779 12.198 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.941 -5.595 11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.894 -5.861 13.884 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.145 -4.595 13.875 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.507 -6.199 14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.975 -7.738 12.319 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.564 -8.231 12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.348 -7.949 11.206 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.215 -6.068 9.828 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.413 -6.875 8.648 1.00 0.00 C ATOM 1682 C ALA A 106 -6.046 -7.252 8.212 1.00 0.00 C ATOM 1683 O ALA A 106 -5.116 -6.458 8.363 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.089 -6.194 7.452 1.00 0.00 C ATOM 0 H ALA A 106 -6.863 -5.127 9.653 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.083 -7.688 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.179 -6.906 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.081 -5.848 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.488 -5.343 7.130 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.920 -8.486 7.677 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.656 -9.097 7.387 1.00 0.00 C ATOM 1692 C CYS A 107 -4.590 -9.478 5.945 1.00 0.00 C ATOM 1693 O CYS A 107 -5.551 -10.004 5.386 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.473 -10.392 8.197 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.026 -11.354 7.713 1.00 0.00 S ATOM 0 H CYS A 107 -6.720 -9.073 7.440 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.881 -8.374 7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.393 -10.140 9.254 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.364 -11.010 8.083 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.411 -9.238 5.332 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.077 -9.759 4.041 1.00 0.00 C ATOM 1702 C GLU A 108 -1.756 -10.438 4.233 1.00 0.00 C ATOM 1703 O GLU A 108 -0.851 -9.866 4.832 1.00 0.00 O ATOM 1704 CB GLU A 108 -2.914 -8.642 2.991 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.665 -9.136 1.562 1.00 0.00 C ATOM 1706 CD GLU A 108 -2.621 -7.913 0.657 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -1.718 -7.059 0.859 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.492 -7.818 -0.250 1.00 0.00 O ATOM 0 H GLU A 108 -2.674 -8.668 5.746 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.863 -10.421 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.812 -8.024 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.084 -8.001 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.727 -9.689 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.456 -9.817 1.248 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.614 -11.680 3.717 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.368 -12.408 3.564 1.00 0.00 C ATOM 1717 C ASN A 109 0.252 -12.965 4.817 1.00 0.00 C ATOM 1718 O ASN A 109 1.358 -13.500 4.759 1.00 0.00 O ATOM 1719 CB ASN A 109 0.702 -11.718 2.661 1.00 0.00 C ATOM 1720 CG ASN A 109 1.575 -10.611 3.288 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.453 -10.836 4.125 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.333 -9.357 2.789 1.00 0.00 N ATOM 0 H ASN A 109 -2.416 -12.215 3.384 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.731 -13.279 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.368 -12.493 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.187 -11.290 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.890 -8.565 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.596 -9.217 2.098 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.439 -12.872 5.973 1.00 0.00 N ATOM 1730 CA GLY A 110 0.103 -13.336 7.216 1.00 0.00 C ATOM 1731 C GLY A 110 0.676 -12.169 7.952 1.00 0.00 C ATOM 1732 O GLY A 110 1.503 -12.351 8.844 1.00 0.00 O ATOM 0 H GLY A 110 -1.375 -12.474 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.674 -13.815 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.874 -14.085 7.036 1.00 0.00 H new ATOM 1736 N LEU A 111 0.239 -10.939 7.596 1.00 0.00 N ATOM 1737 CA LEU A 111 0.766 -9.766 8.243 1.00 0.00 C ATOM 1738 C LEU A 111 -0.359 -8.775 8.207 1.00 0.00 C ATOM 1739 O LEU A 111 -1.092 -8.790 7.227 1.00 0.00 O ATOM 1740 CB LEU A 111 2.024 -9.293 7.484 1.00 0.00 C ATOM 1741 CG LEU A 111 2.655 -7.922 7.716 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.667 -8.032 8.863 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.399 -7.466 6.449 1.00 0.00 C ATOM 0 H LEU A 111 -0.462 -10.758 6.878 1.00 0.00 H new ATOM 0 HA LEU A 111 1.087 -9.928 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.802 -10.031 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.788 -9.352 6.422 1.00 0.00 H new ATOM 0 HG LEU A 111 1.874 -7.202 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.125 -7.059 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.157 -8.362 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.440 -8.754 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.846 -6.487 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.182 -8.185 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.697 -7.402 5.618 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.575 -7.915 9.183 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.685 -6.997 9.139 1.00 0.00 C ATOM 1757 C PRO A 112 -1.450 -5.934 8.097 1.00 0.00 C ATOM 1758 O PRO A 112 -0.306 -5.647 7.758 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.706 -6.374 10.523 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.165 -7.475 11.430 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.124 -8.153 10.545 1.00 0.00 C ATOM 0 HA PRO A 112 -2.623 -7.489 8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.085 -5.479 10.568 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.714 -6.078 10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.722 -7.070 12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.948 -8.168 11.738 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.868 -7.734 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.059 -9.220 10.758 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.533 -5.344 7.564 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.422 -4.263 6.626 1.00 0.00 C ATOM 1771 C VAL A 113 -3.309 -3.141 7.063 1.00 0.00 C ATOM 1772 O VAL A 113 -3.154 -2.022 6.577 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.780 -4.622 5.192 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.589 -5.360 4.552 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.079 -5.452 5.122 1.00 0.00 C ATOM 0 H VAL A 113 -3.492 -5.614 7.782 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.368 -3.985 6.623 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.975 -3.709 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.834 -5.623 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.712 -4.713 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.377 -6.267 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.303 -5.690 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.951 -6.376 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.901 -4.877 5.548 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.283 -3.407 7.961 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.337 -2.448 8.141 1.00 0.00 C ATOM 1787 C HIS A 114 -5.797 -2.548 9.541 1.00 0.00 C ATOM 1788 O HIS A 114 -5.461 -3.499 10.243 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.538 -2.810 7.243 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.765 -1.967 7.315 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.837 -0.645 6.967 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.016 -2.376 7.610 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.104 -0.264 7.057 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.842 -1.299 7.443 1.00 0.00 N ATOM 0 H HIS A 114 -4.343 -4.246 8.538 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.971 -1.451 7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.192 -2.803 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.827 -3.835 7.475 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.310 -3.368 7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.476 0.728 6.850 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.851 -1.292 7.590 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.586 -1.543 9.961 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.220 -1.567 11.235 1.00 0.00 C ATOM 1805 C LEU A 115 -8.662 -1.314 11.009 1.00 0.00 C ATOM 1806 O LEU A 115 -9.035 -0.351 10.339 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.728 -0.455 12.171 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.769 -0.820 13.678 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.325 -2.198 14.196 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.146 0.258 14.557 1.00 0.00 C ATOM 0 H LEU A 115 -6.784 -0.708 9.410 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.001 -2.530 11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.704 -0.196 11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.336 0.435 12.009 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.853 -0.890 13.765 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.438 -2.233 15.280 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.942 -2.973 13.742 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.280 -2.366 13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.201 -0.048 15.602 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.103 0.400 14.275 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.688 1.194 14.424 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.503 -2.175 11.609 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.895 -1.885 11.750 1.00 0.00 C ATOM 1824 C ASP A 116 -10.947 -0.986 12.940 1.00 0.00 C ATOM 1825 O ASP A 116 -10.519 -1.361 14.030 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.739 -3.143 12.017 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.197 -2.763 12.225 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.805 -2.195 11.279 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.725 -3.048 13.334 1.00 0.00 O ATOM 0 H ASP A 116 -9.218 -3.074 11.997 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.303 -1.448 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.652 -3.833 11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.362 -3.663 12.898 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.462 0.244 12.729 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.456 1.278 13.725 1.00 0.00 C ATOM 1836 C GLN A 117 -12.853 1.462 14.219 1.00 0.00 C ATOM 1837 O GLN A 117 -13.175 2.520 14.751 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.023 2.643 13.139 1.00 0.00 C ATOM 1839 CG GLN A 117 -9.553 2.713 12.704 1.00 0.00 C ATOM 1840 CD GLN A 117 -8.726 3.319 13.839 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.039 4.327 13.636 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.806 2.694 15.050 1.00 0.00 N ATOM 0 H GLN A 117 -11.892 0.526 11.848 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.760 0.977 14.508 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.654 2.872 12.280 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.205 3.418 13.884 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.185 1.716 12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.456 3.318 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.390 1.865 15.158 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.282 3.056 15.847 1.00 0.00 H new ATOM 1851 N SER A 118 -13.720 0.441 14.049 1.00 0.00 N ATOM 1852 CA SER A 118 -15.111 0.561 14.381 1.00 0.00 C ATOM 1853 C SER A 118 -15.354 0.146 15.796 1.00 0.00 C ATOM 1854 O SER A 118 -16.408 0.460 16.346 1.00 0.00 O ATOM 1855 CB SER A 118 -16.024 -0.289 13.485 1.00 0.00 C ATOM 1856 OG SER A 118 -15.850 0.087 12.128 1.00 0.00 O ATOM 0 H SER A 118 -13.455 -0.472 13.680 1.00 0.00 H new ATOM 0 HA SER A 118 -15.355 1.612 14.229 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.791 -1.346 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.065 -0.154 13.779 1.00 0.00 H new ATOM 0 HG SER A 118 -15.225 -0.531 11.695 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.382 -0.566 16.417 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.502 -0.989 17.790 1.00 0.00 C ATOM 1864 C ILE A 119 -13.946 0.096 18.644 1.00 0.00 C ATOM 1865 O ILE A 119 -14.278 0.226 19.820 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.886 -2.342 18.134 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.342 -2.500 18.157 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.442 -3.327 17.112 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.691 -2.809 16.800 1.00 0.00 C ATOM 0 H ILE A 119 -13.512 -0.849 15.967 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.562 -1.156 17.979 1.00 0.00 H new ATOM 0 HB ILE A 119 -14.154 -2.506 19.178 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.906 -1.582 18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.086 -3.298 18.854 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.036 -4.320 17.306 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.529 -3.357 17.190 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.159 -3.009 16.109 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.612 -2.900 16.926 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.091 -3.745 16.409 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.908 -2.002 16.100 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.072 0.907 18.022 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.350 1.955 18.660 1.00 0.00 C ATOM 1883 C PHE A 120 -13.089 3.242 18.500 1.00 0.00 C ATOM 1884 O PHE A 120 -12.764 4.239 19.142 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.984 2.109 18.001 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.162 0.936 18.397 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.642 0.950 19.674 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.915 -0.151 17.571 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -8.870 -0.090 20.134 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -9.051 -1.142 18.004 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.551 -1.127 19.288 1.00 0.00 C ATOM 0 H PHE A 120 -12.861 0.825 17.027 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.236 1.712 19.717 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.085 2.158 16.917 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.507 3.036 18.319 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.844 1.790 20.322 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.390 -0.223 16.604 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.516 -0.093 21.154 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.766 -1.935 17.329 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.911 -1.927 19.629 1.00 0.00 H new