USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 31 CYS SG : rot -66:sc= -0.403 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.0246 X(o=-1.3,f=-1.3) USER MOD Set 1.3: A 41 MET CE :methyl 173:sc= -0.911 (180deg=-0.928) USER MOD Set 2.1: A 1 MET N :NH3+ -165:sc= 1.04! (180deg=-0.0202) USER MOD Set 2.2: A 7 GLN : amide:sc= 0.958 K(o=1.5,f=-5.2!) USER MOD Set 2.3: A 37 ASN : amide:sc= -0.496 K(o=1.5,f=-0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -158:sc= 0.12 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.0422 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 2.42 (180deg=1.88) USER MOD Single : A 33 GLN : amide:sc= 0.722 K(o=0.72,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 77:sc= 0.418 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 97:sc= 0.013 USER MOD Single : A 52 THR OG1 : rot -76:sc= 0.808 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 0.116 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.799 K(o=0.8,f=-0.43) USER MOD Single : A 64 SER OG : rot 81:sc= 0.00301 USER MOD Single : A 67 HIS : no HE2:sc= 0.572 K(o=0.57,f=-1.8!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0.498 (180deg=0.467) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0.675 (180deg=0.671) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.746 5.285 5.851 1.00 0.00 N ATOM 2 CA MET A 1 4.684 4.275 5.668 1.00 0.00 C ATOM 3 C MET A 1 5.301 2.972 5.168 1.00 0.00 C ATOM 4 O MET A 1 6.125 2.979 4.253 1.00 0.00 O ATOM 5 CB MET A 1 3.575 4.750 4.715 1.00 0.00 C ATOM 6 CG MET A 1 2.820 5.980 5.240 1.00 0.00 C ATOM 7 SD MET A 1 2.114 5.813 6.910 1.00 0.00 S ATOM 8 CE MET A 1 0.832 4.561 6.632 1.00 0.00 C ATOM 0 H1 MET A 1 5.380 6.074 6.421 1.00 0.00 H new ATOM 0 H2 MET A 1 6.557 4.852 6.338 1.00 0.00 H new ATOM 0 H3 MET A 1 6.050 5.641 4.922 1.00 0.00 H new ATOM 0 HA MET A 1 4.211 4.112 6.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.013 4.986 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.867 3.937 4.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.501 6.831 5.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.013 6.213 4.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.314 4.356 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.118 4.929 5.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.293 3.644 6.264 1.00 0.00 H new ATOM 18 N SER A 2 4.917 1.846 5.761 1.00 0.00 N ATOM 19 CA SER A 2 5.514 0.526 5.502 1.00 0.00 C ATOM 20 C SER A 2 5.268 0.026 4.062 1.00 0.00 C ATOM 21 O SER A 2 4.124 -0.203 3.653 1.00 0.00 O ATOM 22 CB SER A 2 5.014 -0.480 6.557 1.00 0.00 C ATOM 23 OG SER A 2 3.621 -0.355 6.840 1.00 0.00 O ATOM 0 H SER A 2 4.166 1.818 6.451 1.00 0.00 H new ATOM 0 HA SER A 2 6.596 0.623 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.218 -1.493 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.579 -0.340 7.479 1.00 0.00 H new ATOM 0 HG SER A 2 3.430 -0.741 7.720 1.00 0.00 H new ATOM 29 N ALA A 3 6.298 -0.151 3.223 1.00 0.00 N ATOM 30 CA ALA A 3 7.727 0.121 3.434 1.00 0.00 C ATOM 31 C ALA A 3 8.470 0.386 2.109 1.00 0.00 C ATOM 32 O ALA A 3 8.064 -0.091 1.048 1.00 0.00 O ATOM 33 CB ALA A 3 8.340 -1.079 4.168 1.00 0.00 C ATOM 0 H ALA A 3 6.135 -0.525 2.288 1.00 0.00 H new ATOM 0 HA ALA A 3 7.831 1.027 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.402 -0.899 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.839 -1.214 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.215 -1.978 3.564 1.00 0.00 H new ATOM 39 N SER A 4 9.586 1.118 2.178 1.00 0.00 N ATOM 40 CA SER A 4 10.455 1.442 1.033 1.00 0.00 C ATOM 41 C SER A 4 11.787 2.049 1.503 1.00 0.00 C ATOM 42 O SER A 4 11.819 2.898 2.400 1.00 0.00 O ATOM 43 CB SER A 4 9.753 2.418 0.069 1.00 0.00 C ATOM 44 OG SER A 4 10.594 2.761 -1.025 1.00 0.00 O ATOM 0 H SER A 4 9.923 1.515 3.055 1.00 0.00 H new ATOM 0 HA SER A 4 10.661 0.510 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.834 1.965 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.467 3.322 0.608 1.00 0.00 H new ATOM 0 HG SER A 4 10.121 3.380 -1.620 1.00 0.00 H new ATOM 50 N ALA A 5 12.896 1.647 0.864 1.00 0.00 N ATOM 51 CA ALA A 5 14.238 2.173 1.137 1.00 0.00 C ATOM 52 C ALA A 5 14.366 3.673 0.795 1.00 0.00 C ATOM 53 O ALA A 5 15.092 4.399 1.467 1.00 0.00 O ATOM 54 CB ALA A 5 15.243 1.331 0.332 1.00 0.00 C ATOM 0 H ALA A 5 12.883 0.936 0.132 1.00 0.00 H new ATOM 0 HA ALA A 5 14.443 2.098 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.253 1.698 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.175 0.288 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.014 1.409 -0.731 1.00 0.00 H new ATOM 60 N GLN A 6 13.612 4.139 -0.207 1.00 0.00 N ATOM 61 CA GLN A 6 13.563 5.540 -0.634 1.00 0.00 C ATOM 62 C GLN A 6 12.967 6.449 0.458 1.00 0.00 C ATOM 63 O GLN A 6 13.376 7.604 0.584 1.00 0.00 O ATOM 64 CB GLN A 6 12.754 5.611 -1.943 1.00 0.00 C ATOM 65 CG GLN A 6 12.770 6.999 -2.596 1.00 0.00 C ATOM 66 CD GLN A 6 12.037 7.006 -3.939 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.632 6.952 -5.011 1.00 0.00 O ATOM 68 NE2 GLN A 6 10.717 7.047 -3.949 1.00 0.00 N ATOM 0 H GLN A 6 13.003 3.534 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 6 14.574 5.908 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.153 4.882 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.722 5.326 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 6 12.305 7.721 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.801 7.319 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.201 7.092 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.213 7.033 -4.836 1.00 0.00 H new ATOM 77 N GLN A 7 12.021 5.938 1.260 1.00 0.00 N ATOM 78 CA GLN A 7 11.358 6.695 2.326 1.00 0.00 C ATOM 79 C GLN A 7 12.038 6.503 3.696 1.00 0.00 C ATOM 80 O GLN A 7 12.174 7.476 4.448 1.00 0.00 O ATOM 81 CB GLN A 7 9.864 6.317 2.341 1.00 0.00 C ATOM 82 CG GLN A 7 9.024 7.307 3.168 1.00 0.00 C ATOM 83 CD GLN A 7 7.534 7.216 2.843 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.743 6.614 3.560 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.083 7.793 1.745 1.00 0.00 N ATOM 0 H GLN A 7 11.693 4.975 1.183 1.00 0.00 H new ATOM 0 HA GLN A 7 11.449 7.761 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.487 6.289 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.749 5.314 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.175 7.110 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.373 8.322 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.724 8.299 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.093 7.733 1.507 1.00 0.00 H new ATOM 94 N LEU A 8 12.540 5.299 4.019 1.00 0.00 N ATOM 95 CA LEU A 8 13.263 5.049 5.274 1.00 0.00 C ATOM 96 C LEU A 8 14.540 5.894 5.374 1.00 0.00 C ATOM 97 O LEU A 8 14.850 6.412 6.449 1.00 0.00 O ATOM 98 CB LEU A 8 13.528 3.537 5.434 1.00 0.00 C ATOM 99 CG LEU A 8 14.000 3.164 6.858 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.391 1.835 7.328 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.530 3.056 6.969 1.00 0.00 C ATOM 0 H LEU A 8 12.456 4.477 3.420 1.00 0.00 H new ATOM 0 HA LEU A 8 12.638 5.365 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.617 2.986 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.283 3.226 4.712 1.00 0.00 H new ATOM 0 HG LEU A 8 13.656 3.979 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.746 1.607 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.304 1.916 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.690 1.037 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.803 2.792 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.891 2.287 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.982 4.013 6.709 1.00 0.00 H new ATOM 113 N ALA A 9 15.234 6.108 4.251 1.00 0.00 N ATOM 114 CA ALA A 9 16.419 6.965 4.159 1.00 0.00 C ATOM 115 C ALA A 9 16.169 8.431 4.576 1.00 0.00 C ATOM 116 O ALA A 9 17.109 9.114 4.978 1.00 0.00 O ATOM 117 CB ALA A 9 16.940 6.883 2.723 1.00 0.00 C ATOM 0 H ALA A 9 14.981 5.680 3.361 1.00 0.00 H new ATOM 0 HA ALA A 9 17.159 6.600 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.825 7.512 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.199 5.851 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.168 7.228 2.036 1.00 0.00 H new ATOM 123 N GLU A 10 14.921 8.909 4.517 1.00 0.00 N ATOM 124 CA GLU A 10 14.548 10.262 4.943 1.00 0.00 C ATOM 125 C GLU A 10 14.433 10.366 6.474 1.00 0.00 C ATOM 126 O GLU A 10 14.774 11.400 7.044 1.00 0.00 O ATOM 127 CB GLU A 10 13.221 10.698 4.295 1.00 0.00 C ATOM 128 CG GLU A 10 13.262 10.673 2.761 1.00 0.00 C ATOM 129 CD GLU A 10 11.985 11.284 2.160 1.00 0.00 C ATOM 130 OE1 GLU A 10 10.968 10.563 2.010 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.994 12.493 1.828 1.00 0.00 O ATOM 0 H GLU A 10 14.134 8.362 4.169 1.00 0.00 H new ATOM 0 HA GLU A 10 15.344 10.929 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.422 10.043 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.974 11.706 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.133 11.226 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.375 9.646 2.414 1.00 0.00 H new ATOM 138 N GLU A 11 14.005 9.294 7.154 1.00 0.00 N ATOM 139 CA GLU A 11 13.879 9.252 8.619 1.00 0.00 C ATOM 140 C GLU A 11 15.251 9.271 9.310 1.00 0.00 C ATOM 141 O GLU A 11 15.396 9.893 10.364 1.00 0.00 O ATOM 142 CB GLU A 11 13.085 8.013 9.059 1.00 0.00 C ATOM 143 CG GLU A 11 11.643 7.984 8.537 1.00 0.00 C ATOM 144 CD GLU A 11 10.829 9.205 8.992 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.505 9.304 10.200 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.502 10.069 8.148 1.00 0.00 O ATOM 0 H GLU A 11 13.734 8.422 6.699 1.00 0.00 H new ATOM 0 HA GLU A 11 13.338 10.148 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.604 7.119 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.068 7.972 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.655 7.944 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.153 7.074 8.884 1.00 0.00 H new ATOM 153 N LEU A 12 16.273 8.660 8.694 1.00 0.00 N ATOM 154 CA LEU A 12 17.663 8.689 9.168 1.00 0.00 C ATOM 155 C LEU A 12 18.177 10.122 9.395 1.00 0.00 C ATOM 156 O LEU A 12 18.934 10.361 10.336 1.00 0.00 O ATOM 157 CB LEU A 12 18.559 7.974 8.134 1.00 0.00 C ATOM 158 CG LEU A 12 18.263 6.486 7.854 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.286 5.956 6.846 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.314 5.601 9.108 1.00 0.00 C ATOM 0 H LEU A 12 16.154 8.122 7.836 1.00 0.00 H new ATOM 0 HA LEU A 12 17.699 8.179 10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.486 8.516 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.593 8.056 8.469 1.00 0.00 H new ATOM 0 HG LEU A 12 17.245 6.438 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.085 4.904 6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.213 6.526 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.290 6.060 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.096 4.569 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.308 5.656 9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.574 5.949 9.829 1.00 0.00 H new ATOM 172 N GLN A 13 17.740 11.074 8.566 1.00 0.00 N ATOM 173 CA GLN A 13 18.190 12.472 8.605 1.00 0.00 C ATOM 174 C GLN A 13 17.664 13.232 9.840 1.00 0.00 C ATOM 175 O GLN A 13 18.244 14.249 10.229 1.00 0.00 O ATOM 176 CB GLN A 13 17.760 13.203 7.314 1.00 0.00 C ATOM 177 CG GLN A 13 18.013 12.443 5.991 1.00 0.00 C ATOM 178 CD GLN A 13 19.433 11.878 5.857 1.00 0.00 C ATOM 179 OE1 GLN A 13 20.430 12.550 6.099 1.00 0.00 O ATOM 180 NE2 GLN A 13 19.578 10.624 5.484 1.00 0.00 N ATOM 0 H GLN A 13 17.051 10.894 7.835 1.00 0.00 H new ATOM 0 HA GLN A 13 19.277 12.455 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.696 13.427 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 13 18.284 14.157 7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.298 11.624 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.820 13.116 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.757 10.054 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 20.512 10.222 5.399 1.00 0.00 H new ATOM 189 N ILE A 14 16.583 12.754 10.477 1.00 0.00 N ATOM 190 CA ILE A 14 15.999 13.362 11.689 1.00 0.00 C ATOM 191 C ILE A 14 16.881 13.095 12.921 1.00 0.00 C ATOM 192 O ILE A 14 17.027 13.963 13.786 1.00 0.00 O ATOM 193 CB ILE A 14 14.558 12.828 11.899 1.00 0.00 C ATOM 194 CG1 ILE A 14 13.653 12.987 10.652 1.00 0.00 C ATOM 195 CG2 ILE A 14 13.883 13.479 13.119 1.00 0.00 C ATOM 196 CD1 ILE A 14 13.474 14.427 10.147 1.00 0.00 C ATOM 0 H ILE A 14 16.082 11.923 10.162 1.00 0.00 H new ATOM 0 HA ILE A 14 15.953 14.443 11.555 1.00 0.00 H new ATOM 0 HB ILE A 14 14.673 11.759 12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.068 12.385 9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.670 12.576 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.875 13.080 13.233 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.464 13.261 14.015 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.831 14.558 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.824 14.428 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.026 15.035 10.933 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.445 14.841 9.877 1.00 0.00 H new ATOM 208 N PHE A 15 17.503 11.912 12.973 1.00 0.00 N ATOM 209 CA PHE A 15 18.367 11.457 14.067 1.00 0.00 C ATOM 210 C PHE A 15 19.871 11.644 13.782 1.00 0.00 C ATOM 211 O PHE A 15 20.695 11.463 14.683 1.00 0.00 O ATOM 212 CB PHE A 15 18.038 9.984 14.352 1.00 0.00 C ATOM 213 CG PHE A 15 16.619 9.759 14.844 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.323 9.863 16.216 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.590 9.484 13.926 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.999 9.699 16.665 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.268 9.322 14.374 1.00 0.00 C ATOM 218 CZ PHE A 15 13.969 9.440 15.743 1.00 0.00 C ATOM 0 H PHE A 15 17.415 11.221 12.228 1.00 0.00 H new ATOM 0 HA PHE A 15 18.165 12.076 14.941 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.194 9.404 13.443 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.736 9.603 15.097 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.112 10.069 16.924 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.816 9.397 12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.774 9.772 17.719 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.481 9.107 13.666 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.951 9.332 16.086 1.00 0.00 H new ATOM 228 N GLY A 16 20.245 11.990 12.542 1.00 0.00 N ATOM 229 CA GLY A 16 21.638 12.174 12.107 1.00 0.00 C ATOM 230 C GLY A 16 22.336 10.877 11.689 1.00 0.00 C ATOM 231 O GLY A 16 23.568 10.835 11.657 1.00 0.00 O ATOM 0 H GLY A 16 19.571 12.154 11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.657 12.871 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.203 12.634 12.918 1.00 0.00 H new ATOM 235 N LEU A 17 21.575 9.815 11.387 1.00 0.00 N ATOM 236 CA LEU A 17 22.094 8.556 10.850 1.00 0.00 C ATOM 237 C LEU A 17 22.451 8.685 9.357 1.00 0.00 C ATOM 238 O LEU A 17 21.963 9.571 8.650 1.00 0.00 O ATOM 239 CB LEU A 17 21.081 7.416 11.096 1.00 0.00 C ATOM 240 CG LEU A 17 20.784 7.062 12.568 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.877 5.819 12.591 1.00 0.00 C ATOM 242 CD2 LEU A 17 22.051 6.778 13.389 1.00 0.00 C ATOM 0 H LEU A 17 20.563 9.811 11.513 1.00 0.00 H new ATOM 0 HA LEU A 17 23.017 8.312 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.141 7.685 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.449 6.519 10.598 1.00 0.00 H new ATOM 0 HG LEU A 17 20.300 7.925 13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.654 5.550 13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.948 6.037 12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.386 4.988 12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.773 6.536 14.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.588 5.937 12.950 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.692 7.660 13.385 1.00 0.00 H new ATOM 254 N ASP A 18 23.304 7.778 8.877 1.00 0.00 N ATOM 255 CA ASP A 18 23.904 7.807 7.532 1.00 0.00 C ATOM 256 C ASP A 18 24.170 6.384 6.992 1.00 0.00 C ATOM 257 O ASP A 18 25.210 6.103 6.387 1.00 0.00 O ATOM 258 CB ASP A 18 25.160 8.697 7.576 1.00 0.00 C ATOM 259 CG ASP A 18 25.737 9.013 6.178 1.00 0.00 C ATOM 260 OD1 ASP A 18 24.958 9.340 5.253 1.00 0.00 O ATOM 261 OD2 ASP A 18 26.982 8.995 6.021 1.00 0.00 O ATOM 0 H ASP A 18 23.609 6.975 9.428 1.00 0.00 H new ATOM 0 HA ASP A 18 23.205 8.244 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.916 9.632 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.926 8.203 8.174 1.00 0.00 H new ATOM 266 N CYS A 19 23.231 5.469 7.259 1.00 0.00 N ATOM 267 CA CYS A 19 23.287 4.057 6.876 1.00 0.00 C ATOM 268 C CYS A 19 23.435 3.863 5.352 1.00 0.00 C ATOM 269 O CYS A 19 22.831 4.589 4.559 1.00 0.00 O ATOM 270 CB CYS A 19 22.022 3.351 7.392 1.00 0.00 C ATOM 271 SG CYS A 19 21.869 3.556 9.192 1.00 0.00 S ATOM 0 H CYS A 19 22.379 5.703 7.768 1.00 0.00 H new ATOM 0 HA CYS A 19 24.175 3.616 7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.142 3.761 6.897 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.063 2.291 7.143 1.00 0.00 H new ATOM 0 HG CYS A 19 20.794 2.955 9.607 1.00 0.00 H new ATOM 277 N GLU A 20 24.206 2.852 4.941 1.00 0.00 N ATOM 278 CA GLU A 20 24.277 2.403 3.544 1.00 0.00 C ATOM 279 C GLU A 20 22.991 1.688 3.109 1.00 0.00 C ATOM 280 O GLU A 20 22.226 1.205 3.947 1.00 0.00 O ATOM 281 CB GLU A 20 25.513 1.523 3.302 1.00 0.00 C ATOM 282 CG GLU A 20 25.566 0.231 4.123 1.00 0.00 C ATOM 283 CD GLU A 20 26.877 -0.526 3.850 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.993 -1.177 2.784 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.801 -0.474 4.698 1.00 0.00 O ATOM 0 H GLU A 20 24.803 2.317 5.571 1.00 0.00 H new ATOM 0 HA GLU A 20 24.377 3.294 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.553 1.264 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.405 2.110 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.488 0.464 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.715 -0.402 3.872 1.00 0.00 H new ATOM 292 N GLU A 21 22.770 1.575 1.795 1.00 0.00 N ATOM 293 CA GLU A 21 21.578 0.932 1.219 1.00 0.00 C ATOM 294 C GLU A 21 21.400 -0.515 1.718 1.00 0.00 C ATOM 295 O GLU A 21 20.278 -0.935 2.005 1.00 0.00 O ATOM 296 CB GLU A 21 21.651 1.005 -0.316 1.00 0.00 C ATOM 297 CG GLU A 21 20.353 0.548 -0.997 1.00 0.00 C ATOM 298 CD GLU A 21 20.417 0.785 -2.510 1.00 0.00 C ATOM 299 OE1 GLU A 21 21.018 -0.036 -3.242 1.00 0.00 O ATOM 300 OE2 GLU A 21 19.873 1.810 -2.985 1.00 0.00 O ATOM 0 H GLU A 21 23.418 1.930 1.092 1.00 0.00 H new ATOM 0 HA GLU A 21 20.694 1.474 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.872 2.029 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.477 0.385 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.186 -0.510 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.506 1.089 -0.575 1.00 0.00 H new ATOM 307 N ALA A 22 22.497 -1.255 1.921 1.00 0.00 N ATOM 308 CA ALA A 22 22.457 -2.632 2.427 1.00 0.00 C ATOM 309 C ALA A 22 21.967 -2.731 3.887 1.00 0.00 C ATOM 310 O ALA A 22 21.374 -3.742 4.268 1.00 0.00 O ATOM 311 CB ALA A 22 23.855 -3.237 2.267 1.00 0.00 C ATOM 0 H ALA A 22 23.441 -0.914 1.738 1.00 0.00 H new ATOM 0 HA ALA A 22 21.727 -3.194 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.852 -4.262 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.135 -3.232 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.574 -2.648 2.837 1.00 0.00 H new ATOM 317 N LEU A 23 22.185 -1.682 4.693 1.00 0.00 N ATOM 318 CA LEU A 23 21.649 -1.579 6.052 1.00 0.00 C ATOM 319 C LEU A 23 20.249 -0.962 6.064 1.00 0.00 C ATOM 320 O LEU A 23 19.416 -1.397 6.850 1.00 0.00 O ATOM 321 CB LEU A 23 22.624 -0.798 6.951 1.00 0.00 C ATOM 322 CG LEU A 23 23.986 -1.482 7.189 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.803 -0.623 8.159 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.861 -2.909 7.754 1.00 0.00 C ATOM 0 H LEU A 23 22.744 -0.875 4.414 1.00 0.00 H new ATOM 0 HA LEU A 23 21.548 -2.587 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.800 0.181 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.147 -0.628 7.916 1.00 0.00 H new ATOM 0 HG LEU A 23 24.479 -1.571 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.770 -1.094 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.956 0.367 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.266 -0.529 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.855 -3.332 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.339 -2.877 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.300 -3.529 7.055 1.00 0.00 H new ATOM 336 N ILE A 24 19.936 -0.018 5.174 1.00 0.00 N ATOM 337 CA ILE A 24 18.562 0.490 4.969 1.00 0.00 C ATOM 338 C ILE A 24 17.607 -0.664 4.645 1.00 0.00 C ATOM 339 O ILE A 24 16.551 -0.775 5.275 1.00 0.00 O ATOM 340 CB ILE A 24 18.559 1.596 3.884 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.207 2.875 4.457 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.145 1.916 3.358 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.612 3.917 3.409 1.00 0.00 C ATOM 0 H ILE A 24 20.627 0.423 4.568 1.00 0.00 H new ATOM 0 HA ILE A 24 18.200 0.946 5.890 1.00 0.00 H new ATOM 0 HB ILE A 24 19.134 1.222 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.510 3.336 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.091 2.592 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.207 2.698 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.709 1.019 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.519 2.258 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.058 4.779 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.336 3.480 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.730 4.235 2.852 1.00 0.00 H new ATOM 355 N GLU A 25 17.999 -1.566 3.738 1.00 0.00 N ATOM 356 CA GLU A 25 17.251 -2.796 3.449 1.00 0.00 C ATOM 357 C GLU A 25 17.038 -3.664 4.706 1.00 0.00 C ATOM 358 O GLU A 25 15.977 -4.266 4.865 1.00 0.00 O ATOM 359 CB GLU A 25 17.943 -3.612 2.344 1.00 0.00 C ATOM 360 CG GLU A 25 17.736 -2.999 0.954 1.00 0.00 C ATOM 361 CD GLU A 25 18.340 -3.906 -0.131 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.584 -3.938 -0.290 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.570 -4.596 -0.843 1.00 0.00 O ATOM 0 H GLU A 25 18.847 -1.463 3.181 1.00 0.00 H new ATOM 0 HA GLU A 25 16.266 -2.489 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.010 -3.675 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.556 -4.631 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.671 -2.858 0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.200 -2.014 0.912 1.00 0.00 H new ATOM 370 N LYS A 26 17.988 -3.697 5.647 1.00 0.00 N ATOM 371 CA LYS A 26 17.843 -4.422 6.917 1.00 0.00 C ATOM 372 C LYS A 26 16.816 -3.780 7.871 1.00 0.00 C ATOM 373 O LYS A 26 16.159 -4.516 8.612 1.00 0.00 O ATOM 374 CB LYS A 26 19.234 -4.647 7.557 1.00 0.00 C ATOM 375 CG LYS A 26 19.225 -5.476 8.858 1.00 0.00 C ATOM 376 CD LYS A 26 18.680 -6.900 8.683 1.00 0.00 C ATOM 377 CE LYS A 26 18.493 -7.580 10.043 1.00 0.00 C ATOM 378 NZ LYS A 26 17.872 -8.914 9.882 1.00 0.00 N ATOM 0 H LYS A 26 18.884 -3.220 5.550 1.00 0.00 H new ATOM 0 HA LYS A 26 17.418 -5.402 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.876 -5.146 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.683 -3.676 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.241 -5.532 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.624 -4.956 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.728 -6.868 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.366 -7.484 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.458 -7.680 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.868 -6.958 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.419 -9.196 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.157 -8.875 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.603 -9.609 9.630 1.00 0.00 H new ATOM 392 N LEU A 27 16.610 -2.455 7.834 1.00 0.00 N ATOM 393 CA LEU A 27 15.517 -1.800 8.573 1.00 0.00 C ATOM 394 C LEU A 27 14.186 -1.906 7.803 1.00 0.00 C ATOM 395 O LEU A 27 13.156 -2.166 8.421 1.00 0.00 O ATOM 396 CB LEU A 27 15.859 -0.336 8.923 1.00 0.00 C ATOM 397 CG LEU A 27 16.952 -0.074 9.988 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.755 -0.885 11.277 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.365 -0.306 9.449 1.00 0.00 C ATOM 0 H LEU A 27 17.190 -1.811 7.296 1.00 0.00 H new ATOM 0 HA LEU A 27 15.395 -2.330 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.164 0.164 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.943 0.148 9.260 1.00 0.00 H new ATOM 0 HG LEU A 27 16.841 0.981 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.556 -0.653 11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.795 -0.629 11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.775 -1.950 11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.092 -0.108 10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.462 -1.339 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.549 0.364 8.609 1.00 0.00 H new ATOM 411 N VAL A 28 14.200 -1.789 6.469 1.00 0.00 N ATOM 412 CA VAL A 28 13.008 -2.005 5.615 1.00 0.00 C ATOM 413 C VAL A 28 12.449 -3.425 5.787 1.00 0.00 C ATOM 414 O VAL A 28 11.232 -3.586 5.862 1.00 0.00 O ATOM 415 CB VAL A 28 13.313 -1.703 4.130 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.195 -2.133 3.160 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.541 -0.196 3.930 1.00 0.00 C ATOM 0 H VAL A 28 15.038 -1.541 5.943 1.00 0.00 H new ATOM 0 HA VAL A 28 12.241 -1.303 5.943 1.00 0.00 H new ATOM 0 HB VAL A 28 14.205 -2.286 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.485 -1.887 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.035 -3.208 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.273 -1.608 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.755 0.003 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.646 0.350 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.384 0.129 4.540 1.00 0.00 H new ATOM 427 N GLU A 29 13.314 -4.443 5.911 1.00 0.00 N ATOM 428 CA GLU A 29 12.924 -5.826 6.217 1.00 0.00 C ATOM 429 C GLU A 29 12.010 -5.897 7.452 1.00 0.00 C ATOM 430 O GLU A 29 10.999 -6.603 7.432 1.00 0.00 O ATOM 431 CB GLU A 29 14.192 -6.678 6.417 1.00 0.00 C ATOM 432 CG GLU A 29 13.899 -8.154 6.717 1.00 0.00 C ATOM 433 CD GLU A 29 15.207 -8.946 6.841 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.824 -8.947 7.930 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.633 -9.580 5.844 1.00 0.00 O ATOM 0 H GLU A 29 14.321 -4.325 5.799 1.00 0.00 H new ATOM 0 HA GLU A 29 12.352 -6.222 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.808 -6.614 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.776 -6.258 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.327 -8.237 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.284 -8.578 5.923 1.00 0.00 H new ATOM 442 N LEU A 30 12.297 -5.108 8.499 1.00 0.00 N ATOM 443 CA LEU A 30 11.481 -5.078 9.716 1.00 0.00 C ATOM 444 C LEU A 30 10.107 -4.468 9.417 1.00 0.00 C ATOM 445 O LEU A 30 9.090 -5.032 9.800 1.00 0.00 O ATOM 446 CB LEU A 30 12.185 -4.306 10.850 1.00 0.00 C ATOM 447 CG LEU A 30 13.672 -4.624 11.078 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.193 -3.856 12.295 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.932 -6.125 11.254 1.00 0.00 C ATOM 0 H LEU A 30 13.098 -4.477 8.523 1.00 0.00 H new ATOM 0 HA LEU A 30 11.344 -6.105 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.092 -3.239 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.649 -4.500 11.779 1.00 0.00 H new ATOM 0 HG LEU A 30 14.209 -4.307 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.247 -4.088 12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.078 -2.785 12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.626 -4.147 13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.997 -6.294 11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.375 -6.492 12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.609 -6.658 10.360 1.00 0.00 H new ATOM 461 N CYS A 31 10.053 -3.352 8.682 1.00 0.00 N ATOM 462 CA CYS A 31 8.801 -2.695 8.281 1.00 0.00 C ATOM 463 C CYS A 31 7.913 -3.584 7.391 1.00 0.00 C ATOM 464 O CYS A 31 6.690 -3.479 7.450 1.00 0.00 O ATOM 465 CB CYS A 31 9.159 -1.374 7.584 1.00 0.00 C ATOM 466 SG CYS A 31 9.970 -0.258 8.759 1.00 0.00 S ATOM 0 H CYS A 31 10.887 -2.872 8.344 1.00 0.00 H new ATOM 0 HA CYS A 31 8.204 -2.502 9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.818 -1.566 6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.258 -0.906 7.187 1.00 0.00 H new ATOM 0 HG CYS A 31 9.121 0.095 9.678 1.00 0.00 H new ATOM 472 N VAL A 32 8.516 -4.478 6.599 1.00 0.00 N ATOM 473 CA VAL A 32 7.807 -5.487 5.786 1.00 0.00 C ATOM 474 C VAL A 32 7.297 -6.646 6.665 1.00 0.00 C ATOM 475 O VAL A 32 6.144 -7.054 6.517 1.00 0.00 O ATOM 476 CB VAL A 32 8.706 -6.010 4.635 1.00 0.00 C ATOM 477 CG1 VAL A 32 8.082 -7.197 3.873 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.986 -4.885 3.624 1.00 0.00 C ATOM 0 H VAL A 32 9.530 -4.526 6.500 1.00 0.00 H new ATOM 0 HA VAL A 32 6.940 -5.004 5.335 1.00 0.00 H new ATOM 0 HB VAL A 32 9.627 -6.353 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.759 -7.517 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.914 -8.024 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.132 -6.890 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.618 -5.266 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.044 -4.529 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.494 -4.062 4.127 1.00 0.00 H new ATOM 488 N GLN A 33 8.127 -7.172 7.578 1.00 0.00 N ATOM 489 CA GLN A 33 7.804 -8.345 8.401 1.00 0.00 C ATOM 490 C GLN A 33 6.810 -8.021 9.532 1.00 0.00 C ATOM 491 O GLN A 33 5.805 -8.717 9.714 1.00 0.00 O ATOM 492 CB GLN A 33 9.118 -8.917 8.975 1.00 0.00 C ATOM 493 CG GLN A 33 8.921 -10.274 9.675 1.00 0.00 C ATOM 494 CD GLN A 33 10.248 -10.897 10.104 1.00 0.00 C ATOM 495 OE1 GLN A 33 10.769 -11.816 9.480 1.00 0.00 O ATOM 496 NE2 GLN A 33 10.854 -10.437 11.182 1.00 0.00 N ATOM 0 H GLN A 33 9.053 -6.789 7.767 1.00 0.00 H new ATOM 0 HA GLN A 33 7.311 -9.084 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.842 -9.031 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.540 -8.205 9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.284 -10.141 10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.401 -10.956 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.437 -9.673 11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.739 -10.845 11.483 1.00 0.00 H new ATOM 505 N TYR A 34 7.080 -6.968 10.301 1.00 0.00 N ATOM 506 CA TYR A 34 6.291 -6.544 11.468 1.00 0.00 C ATOM 507 C TYR A 34 5.141 -5.580 11.122 1.00 0.00 C ATOM 508 O TYR A 34 4.229 -5.381 11.930 1.00 0.00 O ATOM 509 CB TYR A 34 7.254 -5.914 12.490 1.00 0.00 C ATOM 510 CG TYR A 34 8.248 -6.898 13.078 1.00 0.00 C ATOM 511 CD1 TYR A 34 7.840 -7.778 14.099 1.00 0.00 C ATOM 512 CD2 TYR A 34 9.573 -6.951 12.605 1.00 0.00 C ATOM 513 CE1 TYR A 34 8.742 -8.707 14.641 1.00 0.00 C ATOM 514 CE2 TYR A 34 10.488 -7.871 13.152 1.00 0.00 C ATOM 515 CZ TYR A 34 10.073 -8.753 14.173 1.00 0.00 C ATOM 516 OH TYR A 34 10.961 -9.640 14.705 1.00 0.00 O ATOM 0 H TYR A 34 7.881 -6.362 10.127 1.00 0.00 H new ATOM 0 HA TYR A 34 5.802 -7.424 11.885 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.800 -5.103 12.009 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.673 -5.471 13.299 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.826 -7.738 14.468 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.889 -6.282 11.818 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.418 -9.386 15.416 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.505 -7.902 12.791 1.00 0.00 H new ATOM 0 HH TYR A 34 11.831 -9.536 14.265 1.00 0.00 H new ATOM 526 N GLY A 35 5.179 -4.957 9.935 1.00 0.00 N ATOM 527 CA GLY A 35 4.165 -4.013 9.434 1.00 0.00 C ATOM 528 C GLY A 35 4.229 -2.605 10.058 1.00 0.00 C ATOM 529 O GLY A 35 3.417 -1.746 9.710 1.00 0.00 O ATOM 0 H GLY A 35 5.942 -5.100 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.276 -3.922 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.176 -4.432 9.618 1.00 0.00 H new ATOM 533 N GLN A 36 5.154 -2.365 10.984 1.00 0.00 N ATOM 534 CA GLN A 36 5.297 -1.124 11.751 1.00 0.00 C ATOM 535 C GLN A 36 6.026 -0.042 10.931 1.00 0.00 C ATOM 536 O GLN A 36 6.940 -0.335 10.160 1.00 0.00 O ATOM 537 CB GLN A 36 6.015 -1.470 13.074 1.00 0.00 C ATOM 538 CG GLN A 36 6.390 -0.256 13.940 1.00 0.00 C ATOM 539 CD GLN A 36 6.999 -0.680 15.282 1.00 0.00 C ATOM 540 OE1 GLN A 36 6.338 -0.705 16.315 1.00 0.00 O ATOM 541 NE2 GLN A 36 8.263 -1.057 15.324 1.00 0.00 N ATOM 0 H GLN A 36 5.858 -3.060 11.234 1.00 0.00 H new ATOM 0 HA GLN A 36 4.321 -0.696 11.982 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.374 -2.131 13.657 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.922 -2.028 12.844 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.100 0.370 13.400 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.502 0.351 14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.828 -1.043 14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.675 -1.363 16.206 1.00 0.00 H new ATOM 550 N ASN A 37 5.632 1.225 11.118 1.00 0.00 N ATOM 551 CA ASN A 37 6.192 2.395 10.429 1.00 0.00 C ATOM 552 C ASN A 37 7.684 2.626 10.761 1.00 0.00 C ATOM 553 O ASN A 37 8.134 2.334 11.870 1.00 0.00 O ATOM 554 CB ASN A 37 5.326 3.618 10.787 1.00 0.00 C ATOM 555 CG ASN A 37 5.631 4.833 9.915 1.00 0.00 C ATOM 556 OD1 ASN A 37 5.354 4.845 8.724 1.00 0.00 O ATOM 557 ND2 ASN A 37 6.212 5.883 10.465 1.00 0.00 N ATOM 0 H ASN A 37 4.891 1.471 11.774 1.00 0.00 H new ATOM 0 HA ASN A 37 6.166 2.223 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.273 3.356 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.487 3.878 11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.429 6.702 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.444 5.875 11.458 1.00 0.00 H new ATOM 564 N GLU A 38 8.444 3.181 9.810 1.00 0.00 N ATOM 565 CA GLU A 38 9.914 3.309 9.837 1.00 0.00 C ATOM 566 C GLU A 38 10.477 3.976 11.105 1.00 0.00 C ATOM 567 O GLU A 38 11.548 3.583 11.577 1.00 0.00 O ATOM 568 CB GLU A 38 10.403 4.110 8.617 1.00 0.00 C ATOM 569 CG GLU A 38 10.008 3.542 7.248 1.00 0.00 C ATOM 570 CD GLU A 38 8.650 4.067 6.787 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.613 3.472 7.151 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.589 5.111 6.106 1.00 0.00 O ATOM 0 H GLU A 38 8.037 3.572 8.960 1.00 0.00 H new ATOM 0 HA GLU A 38 10.284 2.284 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.016 5.126 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.490 4.178 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.768 3.805 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.978 2.454 7.301 1.00 0.00 H new ATOM 579 N GLU A 39 9.763 4.943 11.693 1.00 0.00 N ATOM 580 CA GLU A 39 10.198 5.641 12.915 1.00 0.00 C ATOM 581 C GLU A 39 10.353 4.708 14.134 1.00 0.00 C ATOM 582 O GLU A 39 11.212 4.951 14.988 1.00 0.00 O ATOM 583 CB GLU A 39 9.245 6.811 13.218 1.00 0.00 C ATOM 584 CG GLU A 39 7.870 6.384 13.759 1.00 0.00 C ATOM 585 CD GLU A 39 6.925 7.591 13.877 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.102 8.414 14.805 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.991 7.712 13.049 1.00 0.00 O ATOM 0 H GLU A 39 8.864 5.267 11.336 1.00 0.00 H new ATOM 0 HA GLU A 39 11.197 6.032 12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.719 7.471 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.100 7.391 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.431 5.637 13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.989 5.914 14.735 1.00 0.00 H new ATOM 594 N GLY A 40 9.583 3.612 14.192 1.00 0.00 N ATOM 595 CA GLY A 40 9.683 2.582 15.236 1.00 0.00 C ATOM 596 C GLY A 40 10.911 1.684 15.062 1.00 0.00 C ATOM 597 O GLY A 40 11.329 1.035 16.021 1.00 0.00 O ATOM 0 H GLY A 40 8.859 3.413 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.725 3.063 16.213 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.783 1.967 15.222 1.00 0.00 H new ATOM 601 N MET A 41 11.519 1.679 13.868 1.00 0.00 N ATOM 602 CA MET A 41 12.804 1.024 13.601 1.00 0.00 C ATOM 603 C MET A 41 13.958 2.018 13.757 1.00 0.00 C ATOM 604 O MET A 41 14.891 1.776 14.518 1.00 0.00 O ATOM 605 CB MET A 41 12.831 0.381 12.201 1.00 0.00 C ATOM 606 CG MET A 41 11.586 -0.434 11.840 1.00 0.00 C ATOM 607 SD MET A 41 11.052 -1.634 13.079 1.00 0.00 S ATOM 608 CE MET A 41 9.569 -2.197 12.210 1.00 0.00 C ATOM 0 H MET A 41 11.124 2.138 13.047 1.00 0.00 H new ATOM 0 HA MET A 41 12.927 0.227 14.335 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.960 1.168 11.458 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.704 -0.268 12.132 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.764 0.256 11.651 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.778 -0.963 10.907 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.135 -3.044 12.742 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.843 -1.385 12.166 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.834 -2.502 11.198 1.00 0.00 H new ATOM 618 N VAL A 42 13.878 3.148 13.053 1.00 0.00 N ATOM 619 CA VAL A 42 14.963 4.140 12.956 1.00 0.00 C ATOM 620 C VAL A 42 15.205 4.862 14.284 1.00 0.00 C ATOM 621 O VAL A 42 16.356 5.030 14.674 1.00 0.00 O ATOM 622 CB VAL A 42 14.678 5.142 11.812 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.584 6.378 11.857 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.854 4.446 10.449 1.00 0.00 C ATOM 0 H VAL A 42 13.046 3.409 12.524 1.00 0.00 H new ATOM 0 HA VAL A 42 15.882 3.603 12.722 1.00 0.00 H new ATOM 0 HB VAL A 42 13.651 5.481 11.946 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.335 7.042 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.436 6.903 12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.626 6.069 11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.652 5.157 9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.876 4.078 10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.159 3.610 10.375 1.00 0.00 H new ATOM 634 N GLY A 43 14.148 5.271 14.996 1.00 0.00 N ATOM 635 CA GLY A 43 14.263 6.079 16.217 1.00 0.00 C ATOM 636 C GLY A 43 14.676 5.265 17.444 1.00 0.00 C ATOM 637 O GLY A 43 15.516 5.712 18.228 1.00 0.00 O ATOM 0 H GLY A 43 13.185 5.050 14.741 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.993 6.871 16.053 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.307 6.563 16.416 1.00 0.00 H new ATOM 641 N GLU A 44 14.138 4.050 17.587 1.00 0.00 N ATOM 642 CA GLU A 44 14.446 3.151 18.705 1.00 0.00 C ATOM 643 C GLU A 44 15.882 2.587 18.646 1.00 0.00 C ATOM 644 O GLU A 44 16.434 2.195 19.677 1.00 0.00 O ATOM 645 CB GLU A 44 13.417 2.001 18.771 1.00 0.00 C ATOM 646 CG GLU A 44 11.976 2.473 19.015 1.00 0.00 C ATOM 647 CD GLU A 44 11.818 3.213 20.357 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.900 2.563 21.425 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.583 4.446 20.351 1.00 0.00 O ATOM 0 H GLU A 44 13.470 3.658 16.924 1.00 0.00 H new ATOM 0 HA GLU A 44 14.381 3.748 19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.453 1.440 17.837 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.704 1.314 19.567 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.670 3.132 18.202 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.307 1.613 18.997 1.00 0.00 H new ATOM 656 N LEU A 45 16.521 2.594 17.471 1.00 0.00 N ATOM 657 CA LEU A 45 17.910 2.165 17.290 1.00 0.00 C ATOM 658 C LEU A 45 18.916 3.105 17.983 1.00 0.00 C ATOM 659 O LEU A 45 19.955 2.641 18.452 1.00 0.00 O ATOM 660 CB LEU A 45 18.172 2.068 15.778 1.00 0.00 C ATOM 661 CG LEU A 45 19.549 1.510 15.373 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.750 0.063 15.839 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.655 1.586 13.844 1.00 0.00 C ATOM 0 H LEU A 45 16.079 2.903 16.605 1.00 0.00 H new ATOM 0 HA LEU A 45 18.055 1.194 17.764 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.401 1.439 15.334 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.061 3.062 15.344 1.00 0.00 H new ATOM 0 HG LEU A 45 20.326 2.105 15.854 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.735 -0.285 15.530 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.673 0.017 16.925 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.984 -0.572 15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.622 1.197 13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.859 0.992 13.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.559 2.623 13.524 1.00 0.00 H new ATOM 675 N ILE A 46 18.610 4.402 18.094 1.00 0.00 N ATOM 676 CA ILE A 46 19.470 5.375 18.797 1.00 0.00 C ATOM 677 C ILE A 46 19.550 5.038 20.289 1.00 0.00 C ATOM 678 O ILE A 46 20.642 5.076 20.859 1.00 0.00 O ATOM 679 CB ILE A 46 19.002 6.838 18.541 1.00 0.00 C ATOM 680 CG1 ILE A 46 19.389 7.347 17.134 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.633 7.824 19.541 1.00 0.00 C ATOM 682 CD1 ILE A 46 18.561 6.755 15.996 1.00 0.00 C ATOM 0 H ILE A 46 17.762 4.812 17.702 1.00 0.00 H new ATOM 0 HA ILE A 46 20.479 5.301 18.392 1.00 0.00 H new ATOM 0 HB ILE A 46 17.918 6.804 18.650 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.288 8.432 17.114 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.441 7.122 16.957 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.281 8.833 19.328 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.347 7.546 20.555 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.719 7.791 19.448 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.901 7.168 15.046 1.00 0.00 H new ATOM 0 HD12 ILE A 46 18.680 5.672 15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.510 7.003 16.144 1.00 0.00 H new ATOM 694 N ALA A 47 18.432 4.649 20.911 1.00 0.00 N ATOM 695 CA ALA A 47 18.374 4.245 22.318 1.00 0.00 C ATOM 696 C ALA A 47 19.203 2.980 22.617 1.00 0.00 C ATOM 697 O ALA A 47 19.723 2.833 23.723 1.00 0.00 O ATOM 698 CB ALA A 47 16.896 4.070 22.709 1.00 0.00 C ATOM 0 H ALA A 47 17.527 4.606 20.442 1.00 0.00 H new ATOM 0 HA ALA A 47 18.829 5.027 22.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.829 3.769 23.754 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.368 5.013 22.569 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.442 3.304 22.081 1.00 0.00 H new ATOM 704 N PHE A 48 19.379 2.090 21.630 1.00 0.00 N ATOM 705 CA PHE A 48 20.309 0.964 21.727 1.00 0.00 C ATOM 706 C PHE A 48 21.768 1.432 21.597 1.00 0.00 C ATOM 707 O PHE A 48 22.611 1.042 22.408 1.00 0.00 O ATOM 708 CB PHE A 48 19.940 -0.088 20.665 1.00 0.00 C ATOM 709 CG PHE A 48 20.781 -1.361 20.658 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.182 -1.969 21.867 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.112 -1.983 19.438 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.917 -3.166 21.848 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.853 -3.180 19.421 1.00 0.00 C ATOM 714 CZ PHE A 48 22.269 -3.767 20.626 1.00 0.00 C ATOM 0 H PHE A 48 18.878 2.134 20.742 1.00 0.00 H new ATOM 0 HA PHE A 48 20.223 0.506 22.712 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.896 -0.368 20.808 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.014 0.377 19.682 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.923 -1.512 22.811 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.794 -1.537 18.507 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.214 -3.628 22.778 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.102 -3.647 18.479 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.855 -4.674 20.615 1.00 0.00 H new ATOM 724 N CYS A 49 22.067 2.314 20.636 1.00 0.00 N ATOM 725 CA CYS A 49 23.413 2.867 20.418 1.00 0.00 C ATOM 726 C CYS A 49 23.951 3.678 21.617 1.00 0.00 C ATOM 727 O CYS A 49 25.136 3.555 21.946 1.00 0.00 O ATOM 728 CB CYS A 49 23.413 3.714 19.134 1.00 0.00 C ATOM 729 SG CYS A 49 23.076 2.675 17.674 1.00 0.00 S ATOM 0 H CYS A 49 21.373 2.670 19.978 1.00 0.00 H new ATOM 0 HA CYS A 49 24.095 2.024 20.310 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.660 4.498 19.210 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.377 4.209 19.019 1.00 0.00 H new ATOM 0 HG CYS A 49 21.805 2.407 17.616 1.00 0.00 H new ATOM 735 N THR A 50 23.110 4.471 22.296 1.00 0.00 N ATOM 736 CA THR A 50 23.508 5.248 23.491 1.00 0.00 C ATOM 737 C THR A 50 23.802 4.342 24.681 1.00 0.00 C ATOM 738 O THR A 50 24.859 4.461 25.288 1.00 0.00 O ATOM 739 CB THR A 50 22.471 6.315 23.870 1.00 0.00 C ATOM 740 OG1 THR A 50 21.196 5.730 23.985 1.00 0.00 O ATOM 741 CG2 THR A 50 22.416 7.438 22.830 1.00 0.00 C ATOM 0 H THR A 50 22.132 4.596 22.036 1.00 0.00 H new ATOM 0 HA THR A 50 24.428 5.767 23.222 1.00 0.00 H new ATOM 0 HB THR A 50 22.773 6.742 24.826 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.541 6.418 24.228 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.672 8.176 23.130 1.00 0.00 H new ATOM 0 HG22 THR A 50 23.393 7.916 22.759 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.144 7.022 21.860 1.00 0.00 H new ATOM 749 N SER A 51 22.907 3.403 24.983 1.00 0.00 N ATOM 750 CA SER A 51 23.049 2.475 26.118 1.00 0.00 C ATOM 751 C SER A 51 24.227 1.492 25.978 1.00 0.00 C ATOM 752 O SER A 51 24.834 1.120 26.989 1.00 0.00 O ATOM 753 CB SER A 51 21.739 1.694 26.319 1.00 0.00 C ATOM 754 OG SER A 51 20.706 2.554 26.783 1.00 0.00 O ATOM 0 H SER A 51 22.052 3.259 24.445 1.00 0.00 H new ATOM 0 HA SER A 51 23.268 3.091 26.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.438 1.231 25.379 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.897 0.888 27.036 1.00 0.00 H new ATOM 0 HG SER A 51 20.154 2.840 26.026 1.00 0.00 H new ATOM 760 N THR A 52 24.583 1.089 24.748 1.00 0.00 N ATOM 761 CA THR A 52 25.791 0.280 24.471 1.00 0.00 C ATOM 762 C THR A 52 27.054 1.123 24.339 1.00 0.00 C ATOM 763 O THR A 52 28.145 0.611 24.575 1.00 0.00 O ATOM 764 CB THR A 52 25.625 -0.590 23.223 1.00 0.00 C ATOM 765 OG1 THR A 52 25.351 0.210 22.098 1.00 0.00 O ATOM 766 CG2 THR A 52 24.542 -1.650 23.386 1.00 0.00 C ATOM 0 H THR A 52 24.043 1.313 23.912 1.00 0.00 H new ATOM 0 HA THR A 52 25.908 -0.366 25.341 1.00 0.00 H new ATOM 0 HB THR A 52 26.570 -1.114 23.077 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.420 0.515 22.132 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.467 -2.238 22.471 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.797 -2.306 24.219 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.586 -1.166 23.585 1.00 0.00 H new ATOM 774 N HIS A 53 26.920 2.387 23.945 1.00 0.00 N ATOM 775 CA HIS A 53 27.988 3.386 23.769 1.00 0.00 C ATOM 776 C HIS A 53 28.877 3.121 22.522 1.00 0.00 C ATOM 777 O HIS A 53 29.947 3.723 22.353 1.00 0.00 O ATOM 778 CB HIS A 53 28.789 3.547 25.079 1.00 0.00 C ATOM 779 CG HIS A 53 29.449 4.896 25.229 1.00 0.00 C ATOM 780 ND1 HIS A 53 30.750 5.214 24.913 1.00 0.00 N ATOM 781 CD2 HIS A 53 28.875 6.032 25.746 1.00 0.00 C ATOM 782 CE1 HIS A 53 30.952 6.508 25.208 1.00 0.00 C ATOM 783 NE2 HIS A 53 29.834 7.054 25.726 1.00 0.00 N ATOM 0 H HIS A 53 26.002 2.773 23.723 1.00 0.00 H new ATOM 0 HA HIS A 53 27.517 4.345 23.556 1.00 0.00 H new ATOM 0 HB2 HIS A 53 28.121 3.384 25.925 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.554 2.772 25.123 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.861 6.122 26.106 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.880 7.037 25.052 1.00 0.00 H new ATOM 0 HE2 HIS A 53 29.711 8.017 26.040 1.00 0.00 H new ATOM 791 N LYS A 54 28.465 2.212 21.629 1.00 0.00 N ATOM 792 CA LYS A 54 29.166 1.896 20.374 1.00 0.00 C ATOM 793 C LYS A 54 29.093 3.048 19.347 1.00 0.00 C ATOM 794 O LYS A 54 28.086 3.753 19.244 1.00 0.00 O ATOM 795 CB LYS A 54 28.610 0.569 19.796 1.00 0.00 C ATOM 796 CG LYS A 54 29.647 -0.571 19.738 1.00 0.00 C ATOM 797 CD LYS A 54 30.274 -0.967 21.086 1.00 0.00 C ATOM 798 CE LYS A 54 29.219 -1.340 22.135 1.00 0.00 C ATOM 799 NZ LYS A 54 29.845 -1.725 23.423 1.00 0.00 N ATOM 0 H LYS A 54 27.616 1.662 21.760 1.00 0.00 H new ATOM 0 HA LYS A 54 30.226 1.770 20.596 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.764 0.246 20.402 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.230 0.753 18.791 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.170 -1.451 19.307 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.446 -0.277 19.058 1.00 0.00 H new ATOM 0 HD2 LYS A 54 30.948 -1.811 20.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.877 -0.140 21.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.548 -0.496 22.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 28.611 -2.165 21.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 29.592 -2.707 23.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.879 -1.643 23.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 29.504 -1.095 24.177 1.00 0.00 H new ATOM 813 N VAL A 55 30.165 3.223 18.560 1.00 0.00 N ATOM 814 CA VAL A 55 30.248 4.184 17.443 1.00 0.00 C ATOM 815 C VAL A 55 29.883 3.503 16.118 1.00 0.00 C ATOM 816 O VAL A 55 30.237 2.339 15.893 1.00 0.00 O ATOM 817 CB VAL A 55 31.626 4.878 17.346 1.00 0.00 C ATOM 818 CG1 VAL A 55 31.865 5.772 18.574 1.00 0.00 C ATOM 819 CG2 VAL A 55 32.815 3.911 17.177 1.00 0.00 C ATOM 0 H VAL A 55 31.024 2.686 18.684 1.00 0.00 H new ATOM 0 HA VAL A 55 29.522 4.970 17.649 1.00 0.00 H new ATOM 0 HB VAL A 55 31.583 5.477 16.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 32.839 6.253 18.490 1.00 0.00 H new ATOM 0 HG12 VAL A 55 31.087 6.534 18.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 31.838 5.163 19.478 1.00 0.00 H new ATOM 0 HG21 VAL A 55 33.742 4.481 17.117 1.00 0.00 H new ATOM 0 HG22 VAL A 55 32.859 3.235 18.031 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.686 3.332 16.263 1.00 0.00 H new ATOM 829 N GLY A 56 29.168 4.221 15.245 1.00 0.00 N ATOM 830 CA GLY A 56 28.699 3.720 13.947 1.00 0.00 C ATOM 831 C GLY A 56 27.624 2.627 14.052 1.00 0.00 C ATOM 832 O GLY A 56 27.086 2.351 15.126 1.00 0.00 O ATOM 0 H GLY A 56 28.893 5.187 15.424 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.300 4.554 13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.550 3.326 13.392 1.00 0.00 H new ATOM 836 N LEU A 57 27.327 1.994 12.918 1.00 0.00 N ATOM 837 CA LEU A 57 26.402 0.866 12.780 1.00 0.00 C ATOM 838 C LEU A 57 27.026 -0.227 11.900 1.00 0.00 C ATOM 839 O LEU A 57 27.727 0.070 10.923 1.00 0.00 O ATOM 840 CB LEU A 57 25.066 1.367 12.184 1.00 0.00 C ATOM 841 CG LEU A 57 24.101 1.941 13.239 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.026 2.817 12.587 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.433 0.807 14.029 1.00 0.00 C ATOM 0 H LEU A 57 27.744 2.265 12.027 1.00 0.00 H new ATOM 0 HA LEU A 57 26.205 0.433 13.761 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.275 2.134 11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.577 0.543 11.665 1.00 0.00 H new ATOM 0 HG LEU A 57 24.685 2.559 13.921 1.00 0.00 H new ATOM 0 HD11 LEU A 57 22.360 3.208 13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.501 3.646 12.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.451 2.221 11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.755 1.230 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.872 0.169 13.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 24.197 0.215 14.533 1.00 0.00 H new ATOM 855 N THR A 58 26.755 -1.490 12.244 1.00 0.00 N ATOM 856 CA THR A 58 27.210 -2.709 11.557 1.00 0.00 C ATOM 857 C THR A 58 26.066 -3.711 11.503 1.00 0.00 C ATOM 858 O THR A 58 25.118 -3.619 12.283 1.00 0.00 O ATOM 859 CB THR A 58 28.428 -3.340 12.255 1.00 0.00 C ATOM 860 OG1 THR A 58 28.089 -3.710 13.576 1.00 0.00 O ATOM 861 CG2 THR A 58 29.631 -2.397 12.311 1.00 0.00 C ATOM 0 H THR A 58 26.178 -1.704 13.057 1.00 0.00 H new ATOM 0 HA THR A 58 27.518 -2.435 10.548 1.00 0.00 H new ATOM 0 HB THR A 58 28.707 -4.212 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.868 -4.112 14.013 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.460 -2.895 12.814 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.930 -2.128 11.298 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.361 -1.496 12.861 1.00 0.00 H new ATOM 869 N SER A 59 26.159 -4.700 10.618 1.00 0.00 N ATOM 870 CA SER A 59 25.116 -5.720 10.433 1.00 0.00 C ATOM 871 C SER A 59 24.783 -6.513 11.712 1.00 0.00 C ATOM 872 O SER A 59 23.629 -6.907 11.901 1.00 0.00 O ATOM 873 CB SER A 59 25.525 -6.671 9.301 1.00 0.00 C ATOM 874 OG SER A 59 26.818 -7.238 9.518 1.00 0.00 O ATOM 0 H SER A 59 26.963 -4.822 10.002 1.00 0.00 H new ATOM 0 HA SER A 59 24.201 -5.189 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.789 -7.470 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.521 -6.131 8.354 1.00 0.00 H new ATOM 0 HG SER A 59 27.041 -7.839 8.776 1.00 0.00 H new ATOM 880 N GLU A 60 25.750 -6.689 12.624 1.00 0.00 N ATOM 881 CA GLU A 60 25.549 -7.332 13.928 1.00 0.00 C ATOM 882 C GLU A 60 24.800 -6.440 14.937 1.00 0.00 C ATOM 883 O GLU A 60 24.054 -6.954 15.768 1.00 0.00 O ATOM 884 CB GLU A 60 26.896 -7.787 14.504 1.00 0.00 C ATOM 885 CG GLU A 60 27.430 -9.062 13.839 1.00 0.00 C ATOM 886 CD GLU A 60 26.678 -10.320 14.313 1.00 0.00 C ATOM 887 OE1 GLU A 60 25.627 -10.670 13.723 1.00 0.00 O ATOM 888 OE2 GLU A 60 27.142 -10.980 15.274 1.00 0.00 O ATOM 0 H GLU A 60 26.711 -6.382 12.472 1.00 0.00 H new ATOM 0 HA GLU A 60 24.912 -8.200 13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.626 -6.987 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.788 -7.960 15.575 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.339 -8.972 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.492 -9.169 14.061 1.00 0.00 H new ATOM 895 N ILE A 61 24.923 -5.110 14.854 1.00 0.00 N ATOM 896 CA ILE A 61 24.118 -4.184 15.678 1.00 0.00 C ATOM 897 C ILE A 61 22.658 -4.216 15.217 1.00 0.00 C ATOM 898 O ILE A 61 21.765 -4.286 16.058 1.00 0.00 O ATOM 899 CB ILE A 61 24.734 -2.758 15.695 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.128 -2.784 16.367 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.810 -1.771 16.444 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.929 -1.477 16.239 1.00 0.00 C ATOM 0 H ILE A 61 25.574 -4.644 14.223 1.00 0.00 H new ATOM 0 HA ILE A 61 24.133 -4.515 16.716 1.00 0.00 H new ATOM 0 HB ILE A 61 24.840 -2.422 14.664 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.002 -3.014 17.425 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.711 -3.595 15.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.261 -0.779 16.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.842 -1.730 15.946 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.675 -2.108 17.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.891 -1.589 16.739 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.092 -1.252 15.185 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.372 -0.662 16.702 1.00 0.00 H new ATOM 914 N LEU A 62 22.394 -4.267 13.906 1.00 0.00 N ATOM 915 CA LEU A 62 21.033 -4.446 13.378 1.00 0.00 C ATOM 916 C LEU A 62 20.461 -5.855 13.635 1.00 0.00 C ATOM 917 O LEU A 62 19.259 -5.988 13.865 1.00 0.00 O ATOM 918 CB LEU A 62 20.977 -4.078 11.877 1.00 0.00 C ATOM 919 CG LEU A 62 21.084 -2.585 11.501 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.198 -1.703 12.392 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.515 -2.044 11.516 1.00 0.00 C ATOM 0 H LEU A 62 23.111 -4.186 13.185 1.00 0.00 H new ATOM 0 HA LEU A 62 20.391 -3.759 13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.782 -4.610 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.039 -4.460 11.473 1.00 0.00 H new ATOM 0 HG LEU A 62 20.728 -2.537 10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.304 -0.660 12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.157 -2.007 12.285 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.503 -1.814 13.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.508 -0.989 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.936 -2.156 12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.122 -2.601 10.802 1.00 0.00 H new ATOM 933 N ASN A 63 21.295 -6.896 13.668 1.00 0.00 N ATOM 934 CA ASN A 63 20.913 -8.244 14.101 1.00 0.00 C ATOM 935 C ASN A 63 20.491 -8.245 15.584 1.00 0.00 C ATOM 936 O ASN A 63 19.431 -8.764 15.939 1.00 0.00 O ATOM 937 CB ASN A 63 22.090 -9.198 13.832 1.00 0.00 C ATOM 938 CG ASN A 63 21.820 -10.668 14.144 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.696 -11.102 14.361 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.856 -11.483 14.179 1.00 0.00 N ATOM 0 H ASN A 63 22.274 -6.826 13.389 1.00 0.00 H new ATOM 0 HA ASN A 63 20.047 -8.588 13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.374 -9.112 12.783 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.946 -8.869 14.422 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.720 -12.472 14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.794 -11.124 13.999 1.00 0.00 H new ATOM 947 N SER A 64 21.261 -7.592 16.454 1.00 0.00 N ATOM 948 CA SER A 64 20.896 -7.415 17.871 1.00 0.00 C ATOM 949 C SER A 64 19.644 -6.539 18.074 1.00 0.00 C ATOM 950 O SER A 64 18.853 -6.824 18.972 1.00 0.00 O ATOM 951 CB SER A 64 22.078 -6.837 18.657 1.00 0.00 C ATOM 952 OG SER A 64 23.116 -7.799 18.769 1.00 0.00 O ATOM 0 H SER A 64 22.155 -7.169 16.203 1.00 0.00 H new ATOM 0 HA SER A 64 20.648 -8.406 18.251 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.453 -5.944 18.157 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.748 -6.531 19.650 1.00 0.00 H new ATOM 0 HG SER A 64 23.646 -7.806 17.945 1.00 0.00 H new ATOM 958 N PHE A 65 19.399 -5.532 17.222 1.00 0.00 N ATOM 959 CA PHE A 65 18.243 -4.635 17.342 1.00 0.00 C ATOM 960 C PHE A 65 16.888 -5.363 17.248 1.00 0.00 C ATOM 961 O PHE A 65 15.967 -5.011 17.990 1.00 0.00 O ATOM 962 CB PHE A 65 18.349 -3.516 16.295 1.00 0.00 C ATOM 963 CG PHE A 65 17.157 -2.574 16.311 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.929 -1.725 17.413 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.227 -2.610 15.253 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.774 -0.924 17.458 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.074 -1.806 15.301 1.00 0.00 C ATOM 968 CZ PHE A 65 14.846 -0.965 16.402 1.00 0.00 C ATOM 0 H PHE A 65 20.001 -5.317 16.427 1.00 0.00 H new ATOM 0 HA PHE A 65 18.271 -4.204 18.343 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.260 -2.944 16.473 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.441 -3.961 15.304 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.642 -1.690 18.223 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.400 -3.256 14.405 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.599 -0.277 18.305 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.362 -1.836 14.489 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.959 -0.350 16.438 1.00 0.00 H new ATOM 978 N GLU A 66 16.779 -6.421 16.433 1.00 0.00 N ATOM 979 CA GLU A 66 15.577 -7.280 16.401 1.00 0.00 C ATOM 980 C GLU A 66 15.284 -7.912 17.776 1.00 0.00 C ATOM 981 O GLU A 66 14.129 -8.040 18.192 1.00 0.00 O ATOM 982 CB GLU A 66 15.748 -8.406 15.371 1.00 0.00 C ATOM 983 CG GLU A 66 15.756 -7.906 13.926 1.00 0.00 C ATOM 984 CD GLU A 66 15.756 -9.091 12.952 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.676 -9.679 12.706 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.834 -9.436 12.420 1.00 0.00 O ATOM 0 H GLU A 66 17.510 -6.707 15.782 1.00 0.00 H new ATOM 0 HA GLU A 66 14.740 -6.639 16.124 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.681 -8.934 15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.941 -9.128 15.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.883 -7.279 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.635 -7.285 13.754 1.00 0.00 H new ATOM 993 N HIS A 67 16.339 -8.282 18.503 1.00 0.00 N ATOM 994 CA HIS A 67 16.259 -8.912 19.822 1.00 0.00 C ATOM 995 C HIS A 67 16.153 -7.874 20.965 1.00 0.00 C ATOM 996 O HIS A 67 15.792 -8.218 22.092 1.00 0.00 O ATOM 997 CB HIS A 67 17.502 -9.803 20.003 1.00 0.00 C ATOM 998 CG HIS A 67 17.637 -10.884 18.950 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.265 -10.778 17.726 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.122 -12.152 19.027 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.123 -11.948 17.084 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.434 -12.827 17.837 1.00 0.00 N ATOM 0 H HIS A 67 17.298 -8.148 18.183 1.00 0.00 H new ATOM 0 HA HIS A 67 15.350 -9.511 19.873 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.393 -9.176 19.983 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.463 -10.270 20.987 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.752 -9.955 17.371 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.571 -12.561 19.861 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.509 -12.157 16.097 1.00 0.00 H new ATOM 1010 N GLU A 68 16.468 -6.605 20.683 1.00 0.00 N ATOM 1011 CA GLU A 68 16.475 -5.500 21.641 1.00 0.00 C ATOM 1012 C GLU A 68 15.089 -4.846 21.812 1.00 0.00 C ATOM 1013 O GLU A 68 14.844 -4.216 22.842 1.00 0.00 O ATOM 1014 CB GLU A 68 17.516 -4.467 21.175 1.00 0.00 C ATOM 1015 CG GLU A 68 17.825 -3.354 22.182 1.00 0.00 C ATOM 1016 CD GLU A 68 18.288 -3.907 23.539 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.301 -4.641 23.596 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.636 -3.624 24.574 1.00 0.00 O ATOM 0 H GLU A 68 16.735 -6.311 19.744 1.00 0.00 H new ATOM 0 HA GLU A 68 16.738 -5.894 22.623 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.443 -4.990 20.939 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.163 -4.011 20.250 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.598 -2.703 21.775 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.936 -2.741 22.326 1.00 0.00 H new ATOM 1025 N PHE A 69 14.173 -5.007 20.845 1.00 0.00 N ATOM 1026 CA PHE A 69 12.844 -4.389 20.869 1.00 0.00 C ATOM 1027 C PHE A 69 11.774 -5.203 20.128 1.00 0.00 C ATOM 1028 O PHE A 69 10.721 -5.476 20.714 1.00 0.00 O ATOM 1029 CB PHE A 69 12.946 -2.957 20.300 1.00 0.00 C ATOM 1030 CG PHE A 69 11.621 -2.223 20.139 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.663 -2.220 21.177 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.336 -1.539 18.940 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.432 -1.557 21.012 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.098 -0.894 18.769 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.147 -0.900 19.804 1.00 0.00 C ATOM 0 H PHE A 69 14.339 -5.577 20.016 1.00 0.00 H new ATOM 0 HA PHE A 69 12.514 -4.360 21.907 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.591 -2.369 20.954 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.436 -3.004 19.328 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.877 -2.730 22.105 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.071 -1.510 18.149 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.708 -1.554 21.813 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.877 -0.392 17.839 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.199 -0.400 19.670 1.00 0.00 H new ATOM 1045 N LEU A 70 12.010 -5.604 18.872 1.00 0.00 N ATOM 1046 CA LEU A 70 10.956 -6.164 18.013 1.00 0.00 C ATOM 1047 C LEU A 70 10.431 -7.517 18.512 1.00 0.00 C ATOM 1048 O LEU A 70 9.223 -7.755 18.462 1.00 0.00 O ATOM 1049 CB LEU A 70 11.444 -6.274 16.551 1.00 0.00 C ATOM 1050 CG LEU A 70 11.445 -4.985 15.700 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.046 -4.357 15.639 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.481 -3.954 16.170 1.00 0.00 C ATOM 0 H LEU A 70 12.926 -5.551 18.426 1.00 0.00 H new ATOM 0 HA LEU A 70 10.117 -5.469 18.058 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.460 -6.669 16.564 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.822 -7.011 16.044 1.00 0.00 H new ATOM 0 HG LEU A 70 11.737 -5.288 14.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.080 -3.452 15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.348 -5.066 15.194 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.715 -4.107 16.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.432 -3.072 15.532 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.269 -3.669 17.200 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.479 -4.388 16.112 1.00 0.00 H new ATOM 1064 N SER A 71 11.289 -8.395 19.027 1.00 0.00 N ATOM 1065 CA SER A 71 10.847 -9.660 19.641 1.00 0.00 C ATOM 1066 C SER A 71 10.218 -9.476 21.042 1.00 0.00 C ATOM 1067 O SER A 71 9.416 -10.309 21.474 1.00 0.00 O ATOM 1068 CB SER A 71 12.010 -10.662 19.715 1.00 0.00 C ATOM 1069 OG SER A 71 13.030 -10.226 20.605 1.00 0.00 O ATOM 0 H SER A 71 12.300 -8.259 19.035 1.00 0.00 H new ATOM 0 HA SER A 71 10.063 -10.052 18.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.634 -11.632 20.041 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.432 -10.802 18.720 1.00 0.00 H new ATOM 0 HG SER A 71 13.751 -10.890 20.627 1.00 0.00 H new ATOM 1075 N LYS A 72 10.542 -8.388 21.759 1.00 0.00 N ATOM 1076 CA LYS A 72 10.045 -8.131 23.120 1.00 0.00 C ATOM 1077 C LYS A 72 8.592 -7.626 23.149 1.00 0.00 C ATOM 1078 O LYS A 72 7.796 -8.100 23.966 1.00 0.00 O ATOM 1079 CB LYS A 72 10.944 -7.096 23.824 1.00 0.00 C ATOM 1080 CG LYS A 72 12.406 -7.527 23.998 1.00 0.00 C ATOM 1081 CD LYS A 72 13.162 -6.432 24.761 1.00 0.00 C ATOM 1082 CE LYS A 72 14.650 -6.754 24.892 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.411 -5.585 25.392 1.00 0.00 N ATOM 0 H LYS A 72 11.161 -7.657 21.408 1.00 0.00 H new ATOM 0 HA LYS A 72 10.072 -9.088 23.641 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.919 -6.167 23.255 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.524 -6.879 24.806 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.458 -8.470 24.542 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.867 -7.695 23.025 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.041 -5.480 24.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.727 -6.314 25.754 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.784 -7.596 25.572 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.045 -7.061 23.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.389 -5.870 25.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.414 -4.838 24.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.964 -5.225 26.260 1.00 0.00 H new ATOM 1097 N ARG A 73 8.267 -6.638 22.307 1.00 0.00 N ATOM 1098 CA ARG A 73 7.042 -5.833 22.358 1.00 0.00 C ATOM 1099 C ARG A 73 6.636 -5.386 20.945 1.00 0.00 C ATOM 1100 O ARG A 73 7.386 -4.699 20.245 1.00 0.00 O ATOM 1101 CB ARG A 73 7.246 -4.593 23.254 1.00 0.00 C ATOM 1102 CG ARG A 73 7.392 -4.934 24.749 1.00 0.00 C ATOM 1103 CD ARG A 73 7.374 -3.691 25.654 1.00 0.00 C ATOM 1104 NE ARG A 73 8.580 -2.862 25.476 1.00 0.00 N ATOM 1105 CZ ARG A 73 8.864 -1.752 26.151 1.00 0.00 C ATOM 1106 NH1 ARG A 73 8.047 -1.263 27.060 1.00 0.00 N ATOM 1107 NH2 ARG A 73 9.992 -1.119 25.913 1.00 0.00 N ATOM 0 H ARG A 73 8.878 -6.366 21.537 1.00 0.00 H new ATOM 0 HA ARG A 73 6.248 -6.449 22.780 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.136 -4.057 22.923 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.401 -3.917 23.124 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.584 -5.603 25.044 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.326 -5.475 24.903 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.488 -3.095 25.434 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.298 -4.002 26.696 1.00 0.00 H new ATOM 0 HE ARG A 73 9.255 -3.166 24.774 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.167 -1.738 27.263 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.294 -0.409 27.561 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.642 -1.480 25.215 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.217 -0.267 26.427 1.00 0.00 H new ATOM 1121 N LEU A 74 5.422 -5.768 20.569 1.00 0.00 N ATOM 1122 CA LEU A 74 4.766 -5.501 19.284 1.00 0.00 C ATOM 1123 C LEU A 74 3.244 -5.630 19.410 1.00 0.00 C ATOM 1124 O LEU A 74 2.737 -6.513 20.109 1.00 0.00 O ATOM 1125 CB LEU A 74 5.347 -6.403 18.167 1.00 0.00 C ATOM 1126 CG LEU A 74 5.012 -7.915 18.214 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.589 -8.575 16.955 1.00 0.00 C ATOM 1128 CD2 LEU A 74 5.557 -8.662 19.442 1.00 0.00 C ATOM 0 H LEU A 74 4.824 -6.310 21.193 1.00 0.00 H new ATOM 0 HA LEU A 74 4.974 -4.470 18.996 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.004 -6.013 17.209 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.432 -6.299 18.183 1.00 0.00 H new ATOM 0 HG LEU A 74 3.926 -7.984 18.274 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.364 -9.642 16.968 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.144 -8.121 16.070 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.669 -8.432 16.932 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.271 -9.712 19.385 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.644 -8.582 19.464 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.143 -8.222 20.349 1.00 0.00 H new ATOM 1140 N SER A 75 2.503 -4.773 18.712 1.00 0.00 N ATOM 1141 CA SER A 75 1.028 -4.778 18.704 1.00 0.00 C ATOM 1142 C SER A 75 0.419 -5.895 17.827 1.00 0.00 C ATOM 1143 O SER A 75 -0.755 -6.241 17.973 1.00 0.00 O ATOM 1144 CB SER A 75 0.521 -3.391 18.265 1.00 0.00 C ATOM 1145 OG SER A 75 1.071 -3.008 17.008 1.00 0.00 O ATOM 0 H SER A 75 2.908 -4.043 18.126 1.00 0.00 H new ATOM 0 HA SER A 75 0.696 -4.995 19.719 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.567 -3.404 18.198 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.785 -2.650 19.020 1.00 0.00 H new ATOM 0 HG SER A 75 0.729 -2.125 16.757 1.00 0.00 H new ATOM 1151 N LYS A 76 1.225 -6.487 16.942 1.00 0.00 N ATOM 1152 CA LYS A 76 0.847 -7.576 16.026 1.00 0.00 C ATOM 1153 C LYS A 76 0.453 -8.876 16.766 1.00 0.00 C ATOM 1154 O LYS A 76 -0.417 -9.620 16.302 1.00 0.00 O ATOM 1155 CB LYS A 76 2.035 -7.799 15.070 1.00 0.00 C ATOM 1156 CG LYS A 76 1.706 -8.715 13.882 1.00 0.00 C ATOM 1157 CD LYS A 76 2.950 -8.940 13.009 1.00 0.00 C ATOM 1158 CE LYS A 76 2.572 -9.839 11.822 1.00 0.00 C ATOM 1159 NZ LYS A 76 3.768 -10.254 11.036 1.00 0.00 N ATOM 0 H LYS A 76 2.201 -6.212 16.837 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.047 -7.292 15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.372 -6.834 14.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.865 -8.229 15.630 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.334 -9.672 14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.911 -8.271 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.336 -7.986 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.743 -9.404 13.596 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.053 -10.725 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.877 -9.308 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.466 -10.817 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.278 -9.409 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.396 -10.826 11.636 1.00 0.00 H new ATOM 1173 N ALA A 77 1.091 -9.142 17.910 1.00 0.00 N ATOM 1174 CA ALA A 77 0.929 -10.358 18.716 1.00 0.00 C ATOM 1175 C ALA A 77 0.206 -10.150 20.067 1.00 0.00 C ATOM 1176 O ALA A 77 -0.053 -11.135 20.774 1.00 0.00 O ATOM 1177 CB ALA A 77 2.339 -10.940 18.919 1.00 0.00 C ATOM 0 H ALA A 77 1.762 -8.490 18.317 1.00 0.00 H new ATOM 0 HA ALA A 77 0.273 -11.044 18.180 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.275 -11.850 19.515 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.780 -11.172 17.950 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.963 -10.211 19.436 1.00 0.00 H new ATOM 1183 N ARG A 78 -0.096 -8.898 20.447 1.00 0.00 N ATOM 1184 CA ARG A 78 -0.714 -8.531 21.733 1.00 0.00 C ATOM 1185 C ARG A 78 -2.175 -8.990 21.855 1.00 0.00 C ATOM 1186 O ARG A 78 -2.972 -8.745 20.916 1.00 0.00 O ATOM 1187 CB ARG A 78 -0.558 -7.012 21.947 1.00 0.00 C ATOM 1188 CG ARG A 78 -1.022 -6.498 23.325 1.00 0.00 C ATOM 1189 CD ARG A 78 -0.293 -7.129 24.524 1.00 0.00 C ATOM 1190 NE ARG A 78 1.156 -6.844 24.509 1.00 0.00 N ATOM 1191 CZ ARG A 78 2.095 -7.471 25.197 1.00 0.00 C ATOM 1192 NH1 ARG A 78 1.834 -8.461 26.002 1.00 0.00 N ATOM 1193 NH2 ARG A 78 3.341 -7.110 25.086 1.00 0.00 N ATOM 1194 OXT ARG A 78 -2.526 -9.576 22.900 1.00 0.00 O ATOM 0 H ARG A 78 0.088 -8.090 19.852 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.191 -9.062 22.528 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.490 -6.747 21.811 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.122 -6.491 21.173 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.883 -5.417 23.360 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.091 -6.686 23.427 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.726 -6.751 25.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.449 -8.208 24.516 1.00 0.00 H new ATOM 0 HE ARG A 78 1.465 -6.083 23.904 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.873 -8.782 26.121 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.591 -8.916 26.513 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.596 -6.341 24.467 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.062 -7.596 25.619 1.00 0.00 H new TER 1208 ARG A 78