USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 864 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 60 TYR OH : rot 39:sc= 2.02 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.219 K(o=8.6,f=6.5) USER MOD Set 1.3: A 67 TYR OH : rot -54:sc= 2.29 USER MOD Set 1.4: A 68 SER OG : rot 67:sc= 1.24 USER MOD Set 1.5: B 157 THR OG1 : rot -29:sc= 2.8 USER MOD Set 2.1: A 52 HIS : no HE2:sc= 0.321 K(o=0.29,f=-3.1!) USER MOD Set 2.2: A 86 MET CE :methyl 180:sc= -0.0357 (180deg=-0.0337) USER MOD Set 3.1: A 19 SER OG : rot 138:sc= 1.8 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0.992 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -151:sc= 0.594 (180deg=0) USER MOD Set 4.2: A 48 GLN : amide:sc= 1.02 K(o=1.6,f=-1.9) USER MOD Single : A 3 GLN : amide:sc= 1.9 K(o=1.9,f=-3.4!) USER MOD Single : A 7 THR OG1 : rot -110:sc= 0.771 USER MOD Single : A 10 SER OG : rot -126:sc= -0.488 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0.431 (180deg=0.392) USER MOD Single : A 16 TYR OH : rot 162:sc= 1.2 USER MOD Single : A 24 MET CE :methyl 168:sc= -0.0136 (180deg=-0.224) USER MOD Single : A 26 SER OG : rot -59:sc= 0.983 USER MOD Single : A 28 THR OG1 : rot 148:sc= 1.22 USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 0.284 (180deg=0.0713) USER MOD Single : A 32 MET CE :methyl 173:sc= -0.015 (180deg=-0.105) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -0.01 (180deg=-0.108) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc=-0.00832 (180deg=-0.054) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0639 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0.0909 (180deg=0.084) USER MOD Single : A 62 ASN : amide:sc= 1.16 K(o=1.2,f=-0.013) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 87 SER OG : rot 113:sc= 1.37 USER MOD Single : A 96 TYR OH : rot 155:sc= 0.535 USER MOD Single : A 98 SER OG : rot 180:sc= -0.125 USER MOD Single : B 159 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0616) USER MOD Single : B 162 CYS SG : rot 140:sc= -0.485 USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 168 SER OG : rot 74:sc= 1.39 USER MOD Single : B 171 LYS NZ :NH3+ 173:sc=-0.00158 (180deg=-0.0696) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 3.096 2.960 5.466 1.00 0.00 N ATOM 32 CA GLN A 3 4.455 3.474 5.465 1.00 0.00 C ATOM 33 C GLN A 3 5.258 2.641 6.458 1.00 0.00 C ATOM 34 O GLN A 3 5.034 2.748 7.662 1.00 0.00 O ATOM 35 CB GLN A 3 4.486 4.945 5.902 1.00 0.00 C ATOM 36 CG GLN A 3 4.355 5.914 4.724 1.00 0.00 C ATOM 37 CD GLN A 3 4.518 7.367 5.165 1.00 0.00 C ATOM 38 OE1 GLN A 3 3.606 8.169 4.992 1.00 0.00 O ATOM 39 NE2 GLN A 3 5.666 7.725 5.734 1.00 0.00 N ATOM 0 HA GLN A 3 4.872 3.411 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 3 3.676 5.127 6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.419 5.144 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.107 5.676 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.381 5.784 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.407 7.036 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.805 8.688 6.039 1.00 0.00 H new ATOM 48 N ASP A 4 6.201 1.842 5.961 1.00 0.00 N ATOM 49 CA ASP A 4 7.159 1.104 6.776 1.00 0.00 C ATOM 50 C ASP A 4 8.230 2.022 7.375 1.00 0.00 C ATOM 51 O ASP A 4 8.978 1.576 8.242 1.00 0.00 O ATOM 52 CB ASP A 4 7.809 -0.001 5.931 1.00 0.00 C ATOM 53 CG ASP A 4 8.727 0.560 4.846 1.00 0.00 C ATOM 54 OD1 ASP A 4 8.253 1.448 4.102 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.885 0.096 4.784 1.00 0.00 O ATOM 0 H ASP A 4 6.321 1.688 4.960 1.00 0.00 H new ATOM 0 HA ASP A 4 6.619 0.656 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.381 -0.663 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.030 -0.606 5.467 1.00 0.00 H new ATOM 60 N PHE A 5 8.304 3.285 6.939 1.00 0.00 N ATOM 61 CA PHE A 5 9.228 4.283 7.457 1.00 0.00 C ATOM 62 C PHE A 5 8.570 5.666 7.438 1.00 0.00 C ATOM 63 O PHE A 5 7.778 5.972 6.546 1.00 0.00 O ATOM 64 CB PHE A 5 10.522 4.274 6.630 1.00 0.00 C ATOM 65 CG PHE A 5 11.670 3.526 7.280 1.00 0.00 C ATOM 66 CD1 PHE A 5 11.843 2.147 7.062 1.00 0.00 C ATOM 67 CD2 PHE A 5 12.552 4.210 8.135 1.00 0.00 C ATOM 68 CE1 PHE A 5 12.895 1.459 7.691 1.00 0.00 C ATOM 69 CE2 PHE A 5 13.613 3.526 8.754 1.00 0.00 C ATOM 70 CZ PHE A 5 13.783 2.149 8.534 1.00 0.00 C ATOM 0 H PHE A 5 7.704 3.644 6.196 1.00 0.00 H new ATOM 0 HA PHE A 5 9.481 4.042 8.490 1.00 0.00 H new ATOM 0 HB2 PHE A 5 10.316 3.826 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.831 5.303 6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.166 1.616 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 5 12.414 5.266 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 5 13.021 0.399 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 5 14.297 4.059 9.398 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.595 1.621 9.012 1.00 0.00 H new ATOM 80 N VAL A 6 8.914 6.484 8.432 1.00 0.00 N ATOM 81 CA VAL A 6 8.528 7.871 8.636 1.00 0.00 C ATOM 82 C VAL A 6 9.824 8.659 8.874 1.00 0.00 C ATOM 83 O VAL A 6 10.911 8.090 8.745 1.00 0.00 O ATOM 84 CB VAL A 6 7.538 7.953 9.809 1.00 0.00 C ATOM 85 CG1 VAL A 6 6.182 7.361 9.414 1.00 0.00 C ATOM 86 CG2 VAL A 6 8.050 7.229 11.056 1.00 0.00 C ATOM 0 H VAL A 6 9.526 6.158 9.180 1.00 0.00 H new ATOM 0 HA VAL A 6 8.013 8.299 7.776 1.00 0.00 H new ATOM 0 HB VAL A 6 7.430 9.011 10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.496 7.429 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.774 7.917 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.309 6.316 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.314 7.317 11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.211 6.176 10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.990 7.678 11.377 1.00 0.00 H new ATOM 96 N THR A 7 9.764 9.968 9.139 1.00 0.00 N ATOM 97 CA THR A 7 10.960 10.802 9.178 1.00 0.00 C ATOM 98 C THR A 7 10.856 11.930 10.210 1.00 0.00 C ATOM 99 O THR A 7 9.924 12.732 10.194 1.00 0.00 O ATOM 100 CB THR A 7 11.246 11.335 7.768 1.00 0.00 C ATOM 101 OG1 THR A 7 11.160 10.285 6.817 1.00 0.00 O ATOM 102 CG2 THR A 7 12.640 11.953 7.668 1.00 0.00 C ATOM 0 H THR A 7 8.896 10.469 9.329 1.00 0.00 H new ATOM 0 HA THR A 7 11.800 10.189 9.504 1.00 0.00 H new ATOM 0 HB THR A 7 10.499 12.102 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.055 10.081 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.804 12.319 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.722 12.782 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.390 11.199 7.908 1.00 0.00 H new ATOM 110 N LEU A 8 11.854 12.013 11.089 1.00 0.00 N ATOM 111 CA LEU A 8 12.028 13.124 12.004 1.00 0.00 C ATOM 112 C LEU A 8 13.213 13.931 11.474 1.00 0.00 C ATOM 113 O LEU A 8 14.277 13.375 11.203 1.00 0.00 O ATOM 114 CB LEU A 8 12.234 12.591 13.428 1.00 0.00 C ATOM 115 CG LEU A 8 11.018 11.795 13.943 1.00 0.00 C ATOM 116 CD1 LEU A 8 11.312 11.240 15.337 1.00 0.00 C ATOM 117 CD2 LEU A 8 9.754 12.659 14.012 1.00 0.00 C ATOM 0 H LEU A 8 12.572 11.295 11.181 1.00 0.00 H new ATOM 0 HA LEU A 8 11.154 13.773 12.059 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.117 11.953 13.449 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.428 13.427 14.100 1.00 0.00 H new ATOM 0 HG LEU A 8 10.841 10.983 13.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.449 10.679 15.695 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.179 10.581 15.291 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.518 12.064 16.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.922 12.058 14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.923 13.497 14.688 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.517 13.037 13.017 1.00 0.00 H new ATOM 129 N VAL A 9 13.018 15.231 11.260 1.00 0.00 N ATOM 130 CA VAL A 9 13.953 16.103 10.568 1.00 0.00 C ATOM 131 C VAL A 9 14.471 17.145 11.552 1.00 0.00 C ATOM 132 O VAL A 9 13.685 17.742 12.282 1.00 0.00 O ATOM 133 CB VAL A 9 13.262 16.750 9.354 1.00 0.00 C ATOM 134 CG1 VAL A 9 14.235 17.662 8.600 1.00 0.00 C ATOM 135 CG2 VAL A 9 12.666 15.700 8.406 1.00 0.00 C ATOM 0 H VAL A 9 12.178 15.717 11.575 1.00 0.00 H new ATOM 0 HA VAL A 9 14.803 15.533 10.192 1.00 0.00 H new ATOM 0 HB VAL A 9 12.438 17.353 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.727 18.109 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.586 18.450 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.086 17.077 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.188 16.200 7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 9 13.459 15.049 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.926 15.105 8.941 1.00 0.00 H new ATOM 145 N SER A 10 15.787 17.350 11.578 1.00 0.00 N ATOM 146 CA SER A 10 16.456 18.275 12.478 1.00 0.00 C ATOM 147 C SER A 10 17.011 19.460 11.698 1.00 0.00 C ATOM 148 O SER A 10 17.275 19.358 10.495 1.00 0.00 O ATOM 149 CB SER A 10 17.562 17.546 13.251 1.00 0.00 C ATOM 150 OG SER A 10 18.259 16.609 12.447 1.00 0.00 O ATOM 0 H SER A 10 16.430 16.862 10.955 1.00 0.00 H new ATOM 0 HA SER A 10 15.736 18.659 13.200 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.268 18.277 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.124 17.031 14.106 1.00 0.00 H new ATOM 0 HG SER A 10 18.247 15.731 12.882 1.00 0.00 H new ATOM 156 N LYS A 11 17.177 20.573 12.420 1.00 0.00 N ATOM 157 CA LYS A 11 17.620 21.884 11.974 1.00 0.00 C ATOM 158 C LYS A 11 16.721 22.477 10.884 1.00 0.00 C ATOM 159 O LYS A 11 16.067 23.493 11.105 1.00 0.00 O ATOM 160 CB LYS A 11 19.110 21.862 11.598 1.00 0.00 C ATOM 161 CG LYS A 11 19.860 23.155 11.949 1.00 0.00 C ATOM 162 CD LYS A 11 19.258 24.410 11.304 1.00 0.00 C ATOM 163 CE LYS A 11 20.228 25.589 11.444 1.00 0.00 C ATOM 164 NZ LYS A 11 19.557 26.877 11.192 1.00 0.00 N ATOM 0 H LYS A 11 16.985 20.571 13.422 1.00 0.00 H new ATOM 0 HA LYS A 11 17.519 22.570 12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.590 21.026 12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.202 21.680 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.864 23.280 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.899 23.059 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.050 24.223 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.307 24.652 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.656 25.591 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.055 25.466 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.245 27.559 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.790 26.740 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.162 27.242 12.082 1.00 0.00 H new ATOM 178 N ASP A 12 16.690 21.847 9.716 1.00 0.00 N ATOM 179 CA ASP A 12 15.931 22.258 8.548 1.00 0.00 C ATOM 180 C ASP A 12 15.664 21.039 7.666 1.00 0.00 C ATOM 181 O ASP A 12 14.540 20.825 7.223 1.00 0.00 O ATOM 182 CB ASP A 12 16.672 23.372 7.783 1.00 0.00 C ATOM 183 CG ASP A 12 17.984 22.939 7.123 1.00 0.00 C ATOM 184 OD1 ASP A 12 18.721 22.143 7.751 1.00 0.00 O ATOM 185 OD2 ASP A 12 18.229 23.408 5.992 1.00 0.00 O ATOM 0 H ASP A 12 17.222 20.992 9.553 1.00 0.00 H new ATOM 0 HA ASP A 12 14.972 22.672 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.009 23.767 7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.882 24.189 8.473 1.00 0.00 H new ATOM 190 N ASP A 13 16.713 20.251 7.410 1.00 0.00 N ATOM 191 CA ASP A 13 16.679 19.148 6.455 1.00 0.00 C ATOM 192 C ASP A 13 17.691 18.051 6.810 1.00 0.00 C ATOM 193 O ASP A 13 18.147 17.322 5.933 1.00 0.00 O ATOM 194 CB ASP A 13 16.900 19.702 5.037 1.00 0.00 C ATOM 195 CG ASP A 13 16.660 18.665 3.938 1.00 0.00 C ATOM 196 OD1 ASP A 13 15.684 17.896 4.076 1.00 0.00 O ATOM 197 OD2 ASP A 13 17.447 18.677 2.966 1.00 0.00 O ATOM 0 H ASP A 13 17.618 20.365 7.867 1.00 0.00 H new ATOM 0 HA ASP A 13 15.699 18.673 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.234 20.550 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.920 20.078 4.956 1.00 0.00 H new ATOM 202 N LYS A 14 18.040 17.896 8.092 1.00 0.00 N ATOM 203 CA LYS A 14 18.820 16.742 8.526 1.00 0.00 C ATOM 204 C LYS A 14 17.809 15.661 8.891 1.00 0.00 C ATOM 205 O LYS A 14 17.337 15.584 10.028 1.00 0.00 O ATOM 206 CB LYS A 14 19.781 17.098 9.664 1.00 0.00 C ATOM 207 CG LYS A 14 20.906 18.028 9.181 1.00 0.00 C ATOM 208 CD LYS A 14 20.554 19.489 9.478 1.00 0.00 C ATOM 209 CE LYS A 14 21.526 20.469 8.811 1.00 0.00 C ATOM 210 NZ LYS A 14 21.265 20.587 7.366 1.00 0.00 N ATOM 0 H LYS A 14 17.796 18.549 8.836 1.00 0.00 H new ATOM 0 HA LYS A 14 19.478 16.379 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.229 17.581 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.213 16.186 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.841 17.765 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.062 17.895 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.541 19.694 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.562 19.650 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.435 21.449 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 14 22.550 20.133 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.010 21.163 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.259 19.640 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.342 21.042 7.216 1.00 0.00 H new ATOM 224 N GLU A 15 17.450 14.869 7.879 1.00 0.00 N ATOM 225 CA GLU A 15 16.351 13.923 7.923 1.00 0.00 C ATOM 226 C GLU A 15 16.793 12.567 8.470 1.00 0.00 C ATOM 227 O GLU A 15 17.492 11.825 7.784 1.00 0.00 O ATOM 228 CB GLU A 15 15.769 13.745 6.512 1.00 0.00 C ATOM 229 CG GLU A 15 15.411 15.069 5.821 1.00 0.00 C ATOM 230 CD GLU A 15 14.392 14.870 4.703 1.00 0.00 C ATOM 231 OE1 GLU A 15 14.638 13.985 3.853 1.00 0.00 O ATOM 232 OE2 GLU A 15 13.369 15.589 4.732 1.00 0.00 O ATOM 0 H GLU A 15 17.936 14.874 6.982 1.00 0.00 H new ATOM 0 HA GLU A 15 15.591 14.323 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.490 13.207 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.875 13.124 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.011 15.766 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.315 15.521 5.412 1.00 0.00 H new ATOM 239 N TYR A 16 16.355 12.231 9.684 1.00 0.00 N ATOM 240 CA TYR A 16 16.506 10.895 10.240 1.00 0.00 C ATOM 241 C TYR A 16 15.228 10.115 9.924 1.00 0.00 C ATOM 242 O TYR A 16 14.135 10.532 10.306 1.00 0.00 O ATOM 243 CB TYR A 16 16.774 10.978 11.747 1.00 0.00 C ATOM 244 CG TYR A 16 18.147 11.530 12.078 1.00 0.00 C ATOM 245 CD1 TYR A 16 18.342 12.916 12.230 1.00 0.00 C ATOM 246 CD2 TYR A 16 19.255 10.663 12.118 1.00 0.00 C ATOM 247 CE1 TYR A 16 19.631 13.424 12.471 1.00 0.00 C ATOM 248 CE2 TYR A 16 20.546 11.176 12.330 1.00 0.00 C ATOM 249 CZ TYR A 16 20.733 12.555 12.523 1.00 0.00 C ATOM 250 OH TYR A 16 21.975 13.048 12.802 1.00 0.00 O ATOM 0 H TYR A 16 15.884 12.885 10.309 1.00 0.00 H new ATOM 0 HA TYR A 16 17.359 10.379 9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 16 16.015 11.607 12.211 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.674 9.984 12.183 1.00 0.00 H new ATOM 0 HD1 TYR A 16 17.501 13.590 12.161 1.00 0.00 H new ATOM 0 HD2 TYR A 16 19.113 9.601 11.985 1.00 0.00 H new ATOM 0 HE1 TYR A 16 19.774 14.485 12.616 1.00 0.00 H new ATOM 0 HE2 TYR A 16 21.396 10.509 12.345 1.00 0.00 H new ATOM 0 HH TYR A 16 22.564 12.315 13.077 1.00 0.00 H new ATOM 260 N GLU A 17 15.357 8.996 9.207 1.00 0.00 N ATOM 261 CA GLU A 17 14.239 8.139 8.841 1.00 0.00 C ATOM 262 C GLU A 17 14.030 7.098 9.946 1.00 0.00 C ATOM 263 O GLU A 17 14.965 6.389 10.310 1.00 0.00 O ATOM 264 CB GLU A 17 14.426 7.539 7.434 1.00 0.00 C ATOM 265 CG GLU A 17 15.715 6.736 7.193 1.00 0.00 C ATOM 266 CD GLU A 17 16.931 7.632 6.974 1.00 0.00 C ATOM 267 OE1 GLU A 17 17.136 8.037 5.810 1.00 0.00 O ATOM 268 OE2 GLU A 17 17.617 7.910 7.983 1.00 0.00 O ATOM 0 H GLU A 17 16.256 8.660 8.862 1.00 0.00 H new ATOM 0 HA GLU A 17 13.322 8.723 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.576 6.889 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.391 8.353 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.898 6.084 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.581 6.093 6.324 1.00 0.00 H new ATOM 275 N ILE A 18 12.827 7.047 10.523 1.00 0.00 N ATOM 276 CA ILE A 18 12.486 6.209 11.670 1.00 0.00 C ATOM 277 C ILE A 18 11.537 5.126 11.160 1.00 0.00 C ATOM 278 O ILE A 18 10.638 5.427 10.376 1.00 0.00 O ATOM 279 CB ILE A 18 11.861 7.082 12.785 1.00 0.00 C ATOM 280 CG1 ILE A 18 12.932 7.772 13.649 1.00 0.00 C ATOM 281 CG2 ILE A 18 10.985 6.272 13.750 1.00 0.00 C ATOM 282 CD1 ILE A 18 13.731 8.835 12.898 1.00 0.00 C ATOM 0 H ILE A 18 12.040 7.606 10.193 1.00 0.00 H new ATOM 0 HA ILE A 18 13.362 5.734 12.111 1.00 0.00 H new ATOM 0 HB ILE A 18 11.258 7.816 12.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.450 8.233 14.511 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.618 7.018 14.033 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.573 6.935 14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.171 5.804 13.197 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.588 5.501 14.229 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.467 9.279 13.569 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.242 8.376 12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.055 9.610 12.537 1.00 0.00 H new ATOM 294 N SER A 19 11.740 3.868 11.559 1.00 0.00 N ATOM 295 CA SER A 19 10.913 2.777 11.068 1.00 0.00 C ATOM 296 C SER A 19 9.485 2.920 11.588 1.00 0.00 C ATOM 297 O SER A 19 9.257 3.515 12.637 1.00 0.00 O ATOM 298 CB SER A 19 11.499 1.428 11.498 1.00 0.00 C ATOM 299 OG SER A 19 11.422 1.278 12.905 1.00 0.00 O ATOM 0 H SER A 19 12.467 3.587 12.217 1.00 0.00 H new ATOM 0 HA SER A 19 10.895 2.818 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.957 0.618 11.010 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.538 1.357 11.175 1.00 0.00 H new ATOM 0 HG SER A 19 11.133 0.367 13.122 1.00 0.00 H new ATOM 305 N ARG A 20 8.525 2.318 10.891 1.00 0.00 N ATOM 306 CA ARG A 20 7.157 2.183 11.369 1.00 0.00 C ATOM 307 C ARG A 20 7.162 1.504 12.739 1.00 0.00 C ATOM 308 O ARG A 20 6.488 1.940 13.669 1.00 0.00 O ATOM 309 CB ARG A 20 6.376 1.352 10.349 1.00 0.00 C ATOM 310 CG ARG A 20 4.863 1.378 10.561 1.00 0.00 C ATOM 311 CD ARG A 20 4.165 0.357 9.655 1.00 0.00 C ATOM 312 NE ARG A 20 2.704 0.431 9.782 1.00 0.00 N ATOM 313 CZ ARG A 20 1.916 1.365 9.226 1.00 0.00 C ATOM 314 NH1 ARG A 20 2.420 2.372 8.503 1.00 0.00 N ATOM 315 NH2 ARG A 20 0.596 1.293 9.403 1.00 0.00 N ATOM 0 H ARG A 20 8.679 1.907 9.970 1.00 0.00 H new ATOM 0 HA ARG A 20 6.685 3.159 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.599 1.720 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.722 0.319 10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.634 1.160 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.480 2.377 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.450 0.535 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.503 -0.647 9.910 1.00 0.00 H new ATOM 0 HE ARG A 20 2.248 -0.290 10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.428 2.444 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.796 3.067 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.196 0.535 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.014 1.996 8.986 1.00 0.00 H new ATOM 329 N SER A 21 7.940 0.426 12.849 1.00 0.00 N ATOM 330 CA SER A 21 8.026 -0.399 14.035 1.00 0.00 C ATOM 331 C SER A 21 8.475 0.417 15.251 1.00 0.00 C ATOM 332 O SER A 21 7.908 0.275 16.330 1.00 0.00 O ATOM 333 CB SER A 21 8.947 -1.580 13.719 1.00 0.00 C ATOM 334 OG SER A 21 10.185 -1.133 13.190 1.00 0.00 O ATOM 0 H SER A 21 8.540 0.102 12.091 1.00 0.00 H new ATOM 0 HA SER A 21 7.045 -0.788 14.307 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.123 -2.161 14.624 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.461 -2.244 13.004 1.00 0.00 H new ATOM 0 HG SER A 21 10.757 -1.905 12.998 1.00 0.00 H new ATOM 340 N ALA A 22 9.469 1.292 15.081 1.00 0.00 N ATOM 341 CA ALA A 22 9.862 2.227 16.125 1.00 0.00 C ATOM 342 C ALA A 22 8.772 3.285 16.306 1.00 0.00 C ATOM 343 O ALA A 22 8.342 3.531 17.427 1.00 0.00 O ATOM 344 CB ALA A 22 11.213 2.845 15.759 1.00 0.00 C ATOM 0 H ALA A 22 10.016 1.368 14.223 1.00 0.00 H new ATOM 0 HA ALA A 22 9.975 1.711 17.079 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.515 3.547 16.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.961 2.057 15.671 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.127 3.371 14.808 1.00 0.00 H new ATOM 350 N ALA A 23 8.306 3.903 15.217 1.00 0.00 N ATOM 351 CA ALA A 23 7.317 4.977 15.244 1.00 0.00 C ATOM 352 C ALA A 23 6.098 4.610 16.083 1.00 0.00 C ATOM 353 O ALA A 23 5.613 5.434 16.850 1.00 0.00 O ATOM 354 CB ALA A 23 6.882 5.345 13.824 1.00 0.00 C ATOM 0 H ALA A 23 8.614 3.664 14.274 1.00 0.00 H new ATOM 0 HA ALA A 23 7.794 5.840 15.709 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.145 6.147 13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.749 5.678 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.442 4.473 13.341 1.00 0.00 H new ATOM 360 N MET A 24 5.617 3.371 15.957 1.00 0.00 N ATOM 361 CA MET A 24 4.512 2.843 16.751 1.00 0.00 C ATOM 362 C MET A 24 4.694 3.101 18.251 1.00 0.00 C ATOM 363 O MET A 24 3.717 3.352 18.954 1.00 0.00 O ATOM 364 CB MET A 24 4.381 1.340 16.495 1.00 0.00 C ATOM 365 CG MET A 24 3.723 1.046 15.143 1.00 0.00 C ATOM 366 SD MET A 24 3.944 -0.645 14.538 1.00 0.00 S ATOM 367 CE MET A 24 3.363 -1.564 15.979 1.00 0.00 C ATOM 0 H MET A 24 5.992 2.698 15.289 1.00 0.00 H new ATOM 0 HA MET A 24 3.604 3.362 16.444 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.368 0.879 16.526 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.792 0.886 17.292 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.655 1.251 15.223 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.125 1.737 14.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.227 -2.612 15.712 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.097 -1.486 16.781 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.413 -1.150 16.316 1.00 0.00 H new ATOM 377 N ILE A 25 5.932 3.031 18.745 1.00 0.00 N ATOM 378 CA ILE A 25 6.246 3.234 20.152 1.00 0.00 C ATOM 379 C ILE A 25 5.970 4.696 20.544 1.00 0.00 C ATOM 380 O ILE A 25 5.690 4.975 21.707 1.00 0.00 O ATOM 381 CB ILE A 25 7.694 2.763 20.410 1.00 0.00 C ATOM 382 CG1 ILE A 25 7.850 1.286 19.991 1.00 0.00 C ATOM 383 CG2 ILE A 25 8.129 2.942 21.866 1.00 0.00 C ATOM 384 CD1 ILE A 25 9.286 0.772 20.105 1.00 0.00 C ATOM 0 H ILE A 25 6.750 2.829 18.170 1.00 0.00 H new ATOM 0 HA ILE A 25 5.603 2.635 20.797 1.00 0.00 H new ATOM 0 HB ILE A 25 8.345 3.394 19.805 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.201 0.669 20.612 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.511 1.170 18.962 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.155 2.593 21.985 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.070 3.996 22.136 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.472 2.364 22.516 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.324 -0.272 19.795 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.937 1.365 19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.622 0.856 21.139 1.00 0.00 H new ATOM 396 N SER A 26 5.999 5.615 19.572 1.00 0.00 N ATOM 397 CA SER A 26 5.627 7.015 19.708 1.00 0.00 C ATOM 398 C SER A 26 4.308 7.283 18.969 1.00 0.00 C ATOM 399 O SER A 26 4.333 7.804 17.848 1.00 0.00 O ATOM 400 CB SER A 26 6.746 7.879 19.125 1.00 0.00 C ATOM 401 OG SER A 26 7.916 7.709 19.895 1.00 0.00 O ATOM 0 H SER A 26 6.298 5.384 18.625 1.00 0.00 H new ATOM 0 HA SER A 26 5.486 7.260 20.761 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.935 7.599 18.089 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.448 8.927 19.122 1.00 0.00 H new ATOM 0 HG SER A 26 7.737 7.968 20.823 1.00 0.00 H new ATOM 407 N PRO A 27 3.144 6.984 19.575 1.00 0.00 N ATOM 408 CA PRO A 27 1.845 7.277 18.986 1.00 0.00 C ATOM 409 C PRO A 27 1.714 8.728 18.516 1.00 0.00 C ATOM 410 O PRO A 27 0.976 8.983 17.572 1.00 0.00 O ATOM 411 CB PRO A 27 0.788 6.890 20.024 1.00 0.00 C ATOM 412 CG PRO A 27 1.572 6.848 21.330 1.00 0.00 C ATOM 413 CD PRO A 27 2.953 6.373 20.879 1.00 0.00 C ATOM 0 HA PRO A 27 1.708 6.696 18.074 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.021 7.619 20.065 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.336 5.925 19.796 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.617 7.827 21.807 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.123 6.163 22.050 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.728 6.685 21.580 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.997 5.286 20.817 1.00 0.00 H new ATOM 421 N THR A 28 2.436 9.673 19.127 1.00 0.00 N ATOM 422 CA THR A 28 2.555 11.035 18.627 1.00 0.00 C ATOM 423 C THR A 28 2.862 11.041 17.123 1.00 0.00 C ATOM 424 O THR A 28 2.149 11.660 16.337 1.00 0.00 O ATOM 425 CB THR A 28 3.693 11.718 19.396 1.00 0.00 C ATOM 426 OG1 THR A 28 4.789 10.826 19.468 1.00 0.00 O ATOM 427 CG2 THR A 28 3.270 12.082 20.821 1.00 0.00 C ATOM 0 H THR A 28 2.956 9.507 19.989 1.00 0.00 H new ATOM 0 HA THR A 28 1.615 11.567 18.775 1.00 0.00 H new ATOM 0 HB THR A 28 3.960 12.635 18.870 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.626 11.335 19.456 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.101 12.564 21.335 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.421 12.764 20.785 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.986 11.177 21.359 1.00 0.00 H new ATOM 435 N LEU A 29 3.934 10.347 16.732 1.00 0.00 N ATOM 436 CA LEU A 29 4.368 10.248 15.346 1.00 0.00 C ATOM 437 C LEU A 29 3.372 9.380 14.579 1.00 0.00 C ATOM 438 O LEU A 29 2.828 9.804 13.558 1.00 0.00 O ATOM 439 CB LEU A 29 5.808 9.698 15.295 1.00 0.00 C ATOM 440 CG LEU A 29 6.449 9.602 13.893 1.00 0.00 C ATOM 441 CD1 LEU A 29 6.385 10.935 13.143 1.00 0.00 C ATOM 442 CD2 LEU A 29 7.911 9.169 14.055 1.00 0.00 C ATOM 0 H LEU A 29 4.529 9.833 17.382 1.00 0.00 H new ATOM 0 HA LEU A 29 4.387 11.228 14.869 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.439 10.331 15.918 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.812 8.704 15.743 1.00 0.00 H new ATOM 0 HG LEU A 29 5.892 8.872 13.306 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.847 10.823 12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.344 11.235 13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.919 11.698 13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.380 9.096 13.074 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.444 9.905 14.658 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.950 8.198 14.549 1.00 0.00 H new ATOM 454 N LYS A 30 3.118 8.166 15.080 1.00 0.00 N ATOM 455 CA LYS A 30 2.309 7.184 14.364 1.00 0.00 C ATOM 456 C LYS A 30 0.903 7.709 14.040 1.00 0.00 C ATOM 457 O LYS A 30 0.352 7.356 13.002 1.00 0.00 O ATOM 458 CB LYS A 30 2.265 5.862 15.143 1.00 0.00 C ATOM 459 CG LYS A 30 1.588 4.708 14.387 1.00 0.00 C ATOM 460 CD LYS A 30 2.314 4.354 13.080 1.00 0.00 C ATOM 461 CE LYS A 30 1.772 3.058 12.468 1.00 0.00 C ATOM 462 NZ LYS A 30 0.350 3.171 12.104 1.00 0.00 N ATOM 0 H LYS A 30 3.465 7.843 15.983 1.00 0.00 H new ATOM 0 HA LYS A 30 2.786 6.997 13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.284 5.568 15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.738 6.024 16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.553 3.828 15.029 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.556 4.980 14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.199 5.170 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.381 4.247 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.354 2.805 11.582 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.900 2.241 13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.176 2.370 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.034 4.062 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.255 3.161 11.068 1.00 0.00 H new ATOM 476 N ALA A 31 0.323 8.531 14.921 1.00 0.00 N ATOM 477 CA ALA A 31 -0.993 9.129 14.729 1.00 0.00 C ATOM 478 C ALA A 31 -0.930 10.424 13.914 1.00 0.00 C ATOM 479 O ALA A 31 -1.963 10.878 13.424 1.00 0.00 O ATOM 480 CB ALA A 31 -1.651 9.390 16.086 1.00 0.00 C ATOM 0 H ALA A 31 0.765 8.801 15.800 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.594 8.420 14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.634 9.837 15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.760 8.449 16.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.029 10.071 16.667 1.00 0.00 H new ATOM 486 N MET A 32 0.252 11.038 13.768 1.00 0.00 N ATOM 487 CA MET A 32 0.410 12.154 12.846 1.00 0.00 C ATOM 488 C MET A 32 0.239 11.599 11.433 1.00 0.00 C ATOM 489 O MET A 32 -0.471 12.176 10.612 1.00 0.00 O ATOM 490 CB MET A 32 1.764 12.848 13.059 1.00 0.00 C ATOM 491 CG MET A 32 1.803 14.259 12.456 1.00 0.00 C ATOM 492 SD MET A 32 0.585 15.467 13.049 1.00 0.00 S ATOM 493 CE MET A 32 0.909 15.437 14.827 1.00 0.00 C ATOM 0 H MET A 32 1.100 10.779 14.273 1.00 0.00 H new ATOM 0 HA MET A 32 -0.341 12.924 13.020 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.974 12.907 14.127 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.553 12.243 12.612 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.797 14.671 12.632 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.684 14.165 11.377 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.326 16.217 15.316 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.627 14.465 15.232 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.970 15.610 15.006 1.00 0.00 H new ATOM 503 N ILE A 33 0.898 10.468 11.161 1.00 0.00 N ATOM 504 CA ILE A 33 0.658 9.681 9.955 1.00 0.00 C ATOM 505 C ILE A 33 -0.582 8.813 10.216 1.00 0.00 C ATOM 506 O ILE A 33 -1.248 8.967 11.237 1.00 0.00 O ATOM 507 CB ILE A 33 1.940 8.907 9.565 1.00 0.00 C ATOM 508 CG1 ILE A 33 1.950 8.349 8.125 1.00 0.00 C ATOM 509 CG2 ILE A 33 2.328 7.854 10.610 1.00 0.00 C ATOM 510 CD1 ILE A 33 1.871 6.819 8.004 1.00 0.00 C ATOM 0 H ILE A 33 1.613 10.075 11.774 1.00 0.00 H new ATOM 0 HA ILE A 33 0.441 10.298 9.083 1.00 0.00 H new ATOM 0 HB ILE A 33 2.725 9.663 9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.111 8.782 7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.860 8.688 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.234 7.339 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.508 8.341 11.568 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.519 7.132 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.885 6.536 6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.724 6.369 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.948 6.465 8.463 1.00 0.00 H new ATOM 522 N GLU A 34 -0.935 7.926 9.284 1.00 0.00 N ATOM 523 CA GLU A 34 -2.013 6.950 9.404 1.00 0.00 C ATOM 524 C GLU A 34 -3.399 7.586 9.265 1.00 0.00 C ATOM 525 O GLU A 34 -4.215 7.095 8.491 1.00 0.00 O ATOM 526 CB GLU A 34 -1.859 6.095 10.676 1.00 0.00 C ATOM 527 CG GLU A 34 -2.615 4.761 10.568 1.00 0.00 C ATOM 528 CD GLU A 34 -2.067 3.869 9.456 1.00 0.00 C ATOM 529 OE1 GLU A 34 -0.836 3.654 9.452 1.00 0.00 O ATOM 530 OE2 GLU A 34 -2.880 3.423 8.618 1.00 0.00 O ATOM 0 H GLU A 34 -0.454 7.868 8.386 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.927 6.266 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.802 5.899 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.230 6.653 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.551 4.232 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.671 4.959 10.384 1.00 0.00 H new ATOM 537 N GLY A 35 -3.661 8.680 9.984 1.00 0.00 N ATOM 538 CA GLY A 35 -4.845 9.501 9.794 1.00 0.00 C ATOM 539 C GLY A 35 -4.654 10.401 8.568 1.00 0.00 C ATOM 540 O GLY A 35 -4.912 9.963 7.448 1.00 0.00 O ATOM 0 H GLY A 35 -3.045 9.020 10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.722 8.867 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.024 10.110 10.680 1.00 0.00 H new ATOM 544 N PRO A 36 -4.192 11.653 8.726 1.00 0.00 N ATOM 545 CA PRO A 36 -4.121 12.621 7.633 1.00 0.00 C ATOM 546 C PRO A 36 -2.917 12.382 6.702 1.00 0.00 C ATOM 547 O PRO A 36 -2.217 13.321 6.314 1.00 0.00 O ATOM 548 CB PRO A 36 -4.083 13.986 8.335 1.00 0.00 C ATOM 549 CG PRO A 36 -3.365 13.680 9.650 1.00 0.00 C ATOM 550 CD PRO A 36 -3.868 12.280 9.998 1.00 0.00 C ATOM 0 HA PRO A 36 -4.973 12.540 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.545 14.728 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.085 14.380 8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.282 13.702 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.617 14.404 10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.107 11.712 10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.743 12.328 10.646 1.00 0.00 H new ATOM 558 N PHE A 37 -2.695 11.136 6.269 1.00 0.00 N ATOM 559 CA PHE A 37 -1.565 10.791 5.409 1.00 0.00 C ATOM 560 C PHE A 37 -1.680 11.382 4.010 1.00 0.00 C ATOM 561 O PHE A 37 -0.731 11.293 3.241 1.00 0.00 O ATOM 562 CB PHE A 37 -1.352 9.274 5.356 1.00 0.00 C ATOM 563 CG PHE A 37 -2.415 8.516 4.580 1.00 0.00 C ATOM 564 CD1 PHE A 37 -2.309 8.380 3.182 1.00 0.00 C ATOM 565 CD2 PHE A 37 -3.506 7.938 5.253 1.00 0.00 C ATOM 566 CE1 PHE A 37 -3.289 7.672 2.464 1.00 0.00 C ATOM 567 CE2 PHE A 37 -4.478 7.218 4.538 1.00 0.00 C ATOM 568 CZ PHE A 37 -4.371 7.086 3.143 1.00 0.00 C ATOM 0 H PHE A 37 -3.292 10.344 6.505 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.684 11.245 5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.379 9.072 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.320 8.888 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.473 8.821 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.597 8.048 6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.210 7.579 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.308 6.766 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.120 6.535 2.593 1.00 0.00 H new ATOM 578 N ARG A 38 -2.808 12.013 3.676 1.00 0.00 N ATOM 579 CA ARG A 38 -2.911 12.800 2.458 1.00 0.00 C ATOM 580 C ARG A 38 -1.808 13.872 2.443 1.00 0.00 C ATOM 581 O ARG A 38 -1.382 14.291 1.369 1.00 0.00 O ATOM 582 CB ARG A 38 -4.317 13.414 2.375 1.00 0.00 C ATOM 583 CG ARG A 38 -4.569 14.261 1.118 1.00 0.00 C ATOM 584 CD ARG A 38 -4.340 13.477 -0.181 1.00 0.00 C ATOM 585 NE ARG A 38 -4.775 14.247 -1.354 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.038 14.350 -1.791 1.00 0.00 C ATOM 587 NH1 ARG A 38 -7.036 13.757 -1.127 1.00 0.00 N ATOM 588 NH2 ARG A 38 -6.296 15.052 -2.899 1.00 0.00 N ATOM 0 H ARG A 38 -3.660 11.991 4.236 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.767 12.170 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.053 12.611 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.481 14.035 3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.593 14.635 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.912 15.131 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.283 13.230 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.885 12.534 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.056 14.745 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.839 13.222 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.994 13.840 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.535 15.504 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.254 15.135 -3.238 1.00 0.00 H new ATOM 602 N GLU A 39 -1.345 14.302 3.627 1.00 0.00 N ATOM 603 CA GLU A 39 -0.268 15.274 3.777 1.00 0.00 C ATOM 604 C GLU A 39 0.785 14.741 4.751 1.00 0.00 C ATOM 605 O GLU A 39 1.980 14.730 4.454 1.00 0.00 O ATOM 606 CB GLU A 39 -0.869 16.605 4.253 1.00 0.00 C ATOM 607 CG GLU A 39 0.184 17.719 4.338 1.00 0.00 C ATOM 608 CD GLU A 39 -0.452 19.056 4.709 1.00 0.00 C ATOM 609 OE1 GLU A 39 -1.042 19.114 5.810 1.00 0.00 O ATOM 610 OE2 GLU A 39 -0.344 19.990 3.886 1.00 0.00 O ATOM 0 H GLU A 39 -1.719 13.974 4.517 1.00 0.00 H new ATOM 0 HA GLU A 39 0.231 15.442 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.662 16.909 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.328 16.465 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.938 17.454 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.697 17.811 3.381 1.00 0.00 H new ATOM 617 N SER A 40 0.351 14.316 5.936 1.00 0.00 N ATOM 618 CA SER A 40 1.240 13.979 7.029 1.00 0.00 C ATOM 619 C SER A 40 1.901 12.624 6.799 1.00 0.00 C ATOM 620 O SER A 40 1.553 11.650 7.461 1.00 0.00 O ATOM 621 CB SER A 40 0.434 13.979 8.330 1.00 0.00 C ATOM 622 OG SER A 40 -0.174 15.243 8.518 1.00 0.00 O ATOM 0 H SER A 40 -0.637 14.197 6.159 1.00 0.00 H new ATOM 0 HA SER A 40 2.038 14.719 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.328 13.200 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.086 13.750 9.173 1.00 0.00 H new ATOM 0 HG SER A 40 -0.690 15.237 9.351 1.00 0.00 H new ATOM 628 N LYS A 41 2.909 12.549 5.929 1.00 0.00 N ATOM 629 CA LYS A 41 3.662 11.315 5.690 1.00 0.00 C ATOM 630 C LYS A 41 4.611 10.968 6.852 1.00 0.00 C ATOM 631 O LYS A 41 5.698 10.435 6.631 1.00 0.00 O ATOM 632 CB LYS A 41 4.454 11.434 4.375 1.00 0.00 C ATOM 633 CG LYS A 41 3.631 11.846 3.147 1.00 0.00 C ATOM 634 CD LYS A 41 2.550 10.814 2.805 1.00 0.00 C ATOM 635 CE LYS A 41 1.690 11.283 1.626 1.00 0.00 C ATOM 636 NZ LYS A 41 2.473 11.467 0.392 1.00 0.00 N ATOM 0 H LYS A 41 3.227 13.341 5.370 1.00 0.00 H new ATOM 0 HA LYS A 41 2.940 10.502 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.253 12.161 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.929 10.475 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.163 12.813 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.295 11.972 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.018 9.860 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.917 10.644 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.900 10.555 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.204 12.223 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.829 11.652 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.120 12.273 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.024 10.606 0.199 1.00 0.00 H new ATOM 650 N GLY A 42 4.219 11.276 8.092 1.00 0.00 N ATOM 651 CA GLY A 42 5.059 11.177 9.274 1.00 0.00 C ATOM 652 C GLY A 42 6.400 11.885 9.088 1.00 0.00 C ATOM 653 O GLY A 42 7.407 11.414 9.604 1.00 0.00 O ATOM 0 H GLY A 42 3.278 11.611 8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.536 11.610 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.234 10.127 9.507 1.00 0.00 H new ATOM 657 N ARG A 43 6.416 13.008 8.361 1.00 0.00 N ATOM 658 CA ARG A 43 7.610 13.810 8.138 1.00 0.00 C ATOM 659 C ARG A 43 7.530 15.047 9.030 1.00 0.00 C ATOM 660 O ARG A 43 6.773 15.964 8.721 1.00 0.00 O ATOM 661 CB ARG A 43 7.751 14.156 6.651 1.00 0.00 C ATOM 662 CG ARG A 43 9.049 14.944 6.405 1.00 0.00 C ATOM 663 CD ARG A 43 9.674 14.630 5.041 1.00 0.00 C ATOM 664 NE ARG A 43 10.166 13.243 4.998 1.00 0.00 N ATOM 665 CZ ARG A 43 11.160 12.786 4.224 1.00 0.00 C ATOM 666 NH1 ARG A 43 11.707 13.565 3.285 1.00 0.00 N ATOM 667 NH2 ARG A 43 11.615 11.543 4.408 1.00 0.00 N ATOM 0 H ARG A 43 5.584 13.385 7.907 1.00 0.00 H new ATOM 0 HA ARG A 43 8.508 13.253 8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.755 13.242 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.893 14.744 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.840 16.012 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.766 14.712 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.936 14.783 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.496 15.318 4.846 1.00 0.00 H new ATOM 0 HE ARG A 43 9.709 12.569 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.368 14.518 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.463 13.206 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.206 10.952 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.371 11.185 3.824 1.00 0.00 H new ATOM 681 N ILE A 44 8.263 15.057 10.149 1.00 0.00 N ATOM 682 CA ILE A 44 8.161 16.111 11.160 1.00 0.00 C ATOM 683 C ILE A 44 9.431 16.962 11.161 1.00 0.00 C ATOM 684 O ILE A 44 10.526 16.420 11.288 1.00 0.00 O ATOM 685 CB ILE A 44 7.935 15.502 12.555 1.00 0.00 C ATOM 686 CG1 ILE A 44 6.894 14.370 12.576 1.00 0.00 C ATOM 687 CG2 ILE A 44 7.568 16.597 13.566 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.504 14.769 12.077 1.00 0.00 C ATOM 0 H ILE A 44 8.944 14.333 10.378 1.00 0.00 H new ATOM 0 HA ILE A 44 7.308 16.744 10.915 1.00 0.00 H new ATOM 0 HB ILE A 44 8.881 15.043 12.843 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.262 13.546 11.965 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.805 13.996 13.596 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.412 16.149 14.547 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.378 17.325 13.624 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.654 17.096 13.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.838 13.908 12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.109 15.570 12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.573 15.114 11.045 1.00 0.00 H new ATOM 700 N GLU A 45 9.289 18.287 11.062 1.00 0.00 N ATOM 701 CA GLU A 45 10.396 19.228 11.133 1.00 0.00 C ATOM 702 C GLU A 45 10.576 19.754 12.556 1.00 0.00 C ATOM 703 O GLU A 45 9.869 20.668 12.975 1.00 0.00 O ATOM 704 CB GLU A 45 10.169 20.383 10.149 1.00 0.00 C ATOM 705 CG GLU A 45 10.241 19.903 8.692 1.00 0.00 C ATOM 706 CD GLU A 45 10.022 21.052 7.712 1.00 0.00 C ATOM 707 OE1 GLU A 45 10.722 22.076 7.869 1.00 0.00 O ATOM 708 OE2 GLU A 45 9.150 20.890 6.831 1.00 0.00 O ATOM 0 H GLU A 45 8.384 18.737 10.928 1.00 0.00 H new ATOM 0 HA GLU A 45 11.312 18.707 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.195 20.836 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.918 21.157 10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.213 19.446 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.489 19.132 8.524 1.00 0.00 H new ATOM 715 N LEU A 46 11.596 19.267 13.264 1.00 0.00 N ATOM 716 CA LEU A 46 12.019 19.825 14.539 1.00 0.00 C ATOM 717 C LEU A 46 12.991 20.945 14.179 1.00 0.00 C ATOM 718 O LEU A 46 14.194 20.878 14.429 1.00 0.00 O ATOM 719 CB LEU A 46 12.683 18.759 15.429 1.00 0.00 C ATOM 720 CG LEU A 46 11.801 17.571 15.840 1.00 0.00 C ATOM 721 CD1 LEU A 46 10.423 18.040 16.312 1.00 0.00 C ATOM 722 CD2 LEU A 46 11.665 16.531 14.723 1.00 0.00 C ATOM 0 H LEU A 46 12.153 18.468 12.962 1.00 0.00 H new ATOM 0 HA LEU A 46 11.174 20.197 15.119 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.557 18.371 14.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.045 19.246 16.335 1.00 0.00 H new ATOM 0 HG LEU A 46 12.304 17.084 16.675 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.822 17.176 16.596 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.538 18.700 17.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.926 18.578 15.505 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.032 15.712 15.064 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.216 16.996 13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.651 16.144 14.464 1.00 0.00 H new ATOM 734 N LYS A 47 12.441 21.963 13.517 1.00 0.00 N ATOM 735 CA LYS A 47 13.193 23.059 12.952 1.00 0.00 C ATOM 736 C LYS A 47 14.048 23.705 14.039 1.00 0.00 C ATOM 737 O LYS A 47 13.553 24.072 15.102 1.00 0.00 O ATOM 738 CB LYS A 47 12.230 24.046 12.288 1.00 0.00 C ATOM 739 CG LYS A 47 12.980 25.133 11.505 1.00 0.00 C ATOM 740 CD LYS A 47 12.026 26.024 10.695 1.00 0.00 C ATOM 741 CE LYS A 47 10.975 26.741 11.553 1.00 0.00 C ATOM 742 NZ LYS A 47 11.586 27.518 12.646 1.00 0.00 N ATOM 0 H LYS A 47 11.436 22.041 13.361 1.00 0.00 H new ATOM 0 HA LYS A 47 13.874 22.702 12.179 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.564 23.507 11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.605 24.512 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.551 25.750 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.697 24.664 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.610 26.768 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.518 25.413 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.385 27.406 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.287 26.006 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.848 28.052 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.057 26.871 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.286 28.180 12.253 1.00 0.00 H new ATOM 756 N GLN A 48 15.347 23.777 13.761 1.00 0.00 N ATOM 757 CA GLN A 48 16.403 24.341 14.596 1.00 0.00 C ATOM 758 C GLN A 48 16.825 23.400 15.734 1.00 0.00 C ATOM 759 O GLN A 48 17.838 23.650 16.385 1.00 0.00 O ATOM 760 CB GLN A 48 16.060 25.776 15.044 1.00 0.00 C ATOM 761 CG GLN A 48 17.220 26.550 15.692 1.00 0.00 C ATOM 762 CD GLN A 48 18.504 26.526 14.864 1.00 0.00 C ATOM 763 OE1 GLN A 48 18.720 27.374 14.004 1.00 0.00 O ATOM 764 NE2 GLN A 48 19.367 25.546 15.113 1.00 0.00 N ATOM 0 H GLN A 48 15.716 23.416 12.881 1.00 0.00 H new ATOM 0 HA GLN A 48 17.299 24.432 13.982 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.708 26.336 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.233 25.731 15.752 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.915 27.585 15.846 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.423 26.128 16.676 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.160 24.855 15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.236 25.485 14.583 1.00 0.00 H new ATOM 773 N PHE A 49 16.116 22.289 15.948 1.00 0.00 N ATOM 774 CA PHE A 49 16.535 21.275 16.903 1.00 0.00 C ATOM 775 C PHE A 49 17.771 20.572 16.340 1.00 0.00 C ATOM 776 O PHE A 49 17.812 20.270 15.144 1.00 0.00 O ATOM 777 CB PHE A 49 15.380 20.300 17.124 1.00 0.00 C ATOM 778 CG PHE A 49 15.428 19.516 18.417 1.00 0.00 C ATOM 779 CD1 PHE A 49 14.972 20.113 19.605 1.00 0.00 C ATOM 780 CD2 PHE A 49 15.777 18.154 18.406 1.00 0.00 C ATOM 781 CE1 PHE A 49 14.799 19.333 20.760 1.00 0.00 C ATOM 782 CE2 PHE A 49 15.590 17.370 19.558 1.00 0.00 C ATOM 783 CZ PHE A 49 15.085 17.957 20.731 1.00 0.00 C ATOM 0 H PHE A 49 15.243 22.073 15.466 1.00 0.00 H new ATOM 0 HA PHE A 49 16.793 21.714 17.867 1.00 0.00 H new ATOM 0 HB2 PHE A 49 14.445 20.859 17.093 1.00 0.00 H new ATOM 0 HB3 PHE A 49 15.358 19.595 16.293 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.755 21.171 19.630 1.00 0.00 H new ATOM 0 HD2 PHE A 49 16.189 17.710 17.512 1.00 0.00 H new ATOM 0 HE1 PHE A 49 14.446 19.791 21.672 1.00 0.00 H new ATOM 0 HE2 PHE A 49 15.834 16.318 19.542 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.917 17.351 21.609 1.00 0.00 H new ATOM 793 N ASP A 50 18.787 20.350 17.176 1.00 0.00 N ATOM 794 CA ASP A 50 20.096 19.887 16.735 1.00 0.00 C ATOM 795 C ASP A 50 20.043 18.459 16.181 1.00 0.00 C ATOM 796 O ASP A 50 19.284 17.616 16.662 1.00 0.00 O ATOM 797 CB ASP A 50 21.102 20.016 17.885 1.00 0.00 C ATOM 798 CG ASP A 50 22.435 19.366 17.536 1.00 0.00 C ATOM 799 OD1 ASP A 50 23.234 20.035 16.847 1.00 0.00 O ATOM 800 OD2 ASP A 50 22.609 18.193 17.929 1.00 0.00 O ATOM 0 H ASP A 50 18.720 20.489 18.184 1.00 0.00 H new ATOM 0 HA ASP A 50 20.426 20.519 15.911 1.00 0.00 H new ATOM 0 HB2 ASP A 50 21.259 21.070 18.116 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.693 19.551 18.782 1.00 0.00 H new ATOM 805 N SER A 51 20.881 18.195 15.175 1.00 0.00 N ATOM 806 CA SER A 51 21.000 16.917 14.497 1.00 0.00 C ATOM 807 C SER A 51 21.376 15.806 15.468 1.00 0.00 C ATOM 808 O SER A 51 20.617 14.861 15.648 1.00 0.00 O ATOM 809 CB SER A 51 22.050 17.062 13.395 1.00 0.00 C ATOM 810 OG SER A 51 23.157 17.772 13.928 1.00 0.00 O ATOM 0 H SER A 51 21.517 18.899 14.801 1.00 0.00 H new ATOM 0 HA SER A 51 20.039 16.640 14.064 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.364 16.081 13.038 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.633 17.594 12.540 1.00 0.00 H new ATOM 0 HG SER A 51 23.844 17.874 13.236 1.00 0.00 H new ATOM 816 N HIS A 52 22.553 15.912 16.086 1.00 0.00 N ATOM 817 CA HIS A 52 23.042 14.899 17.013 1.00 0.00 C ATOM 818 C HIS A 52 22.034 14.658 18.141 1.00 0.00 C ATOM 819 O HIS A 52 21.825 13.515 18.553 1.00 0.00 O ATOM 820 CB HIS A 52 24.422 15.289 17.559 1.00 0.00 C ATOM 821 CG HIS A 52 25.101 14.195 18.351 1.00 0.00 C ATOM 822 ND1 HIS A 52 24.540 13.002 18.759 1.00 0.00 N ATOM 823 CD2 HIS A 52 26.392 14.216 18.805 1.00 0.00 C ATOM 824 CE1 HIS A 52 25.477 12.324 19.441 1.00 0.00 C ATOM 825 NE2 HIS A 52 26.621 13.024 19.499 1.00 0.00 N ATOM 0 H HIS A 52 23.189 16.699 15.957 1.00 0.00 H new ATOM 0 HA HIS A 52 23.154 13.960 16.472 1.00 0.00 H new ATOM 0 HB2 HIS A 52 25.065 15.572 16.725 1.00 0.00 H new ATOM 0 HB3 HIS A 52 24.315 16.169 18.193 1.00 0.00 H new ATOM 0 HD1 HIS A 52 23.586 12.691 18.576 1.00 0.00 H new ATOM 0 HD2 HIS A 52 27.107 15.012 18.654 1.00 0.00 H new ATOM 0 HE1 HIS A 52 25.330 11.349 19.882 1.00 0.00 H new ATOM 833 N ILE A 53 21.417 15.720 18.658 1.00 0.00 N ATOM 834 CA ILE A 53 20.392 15.577 19.681 1.00 0.00 C ATOM 835 C ILE A 53 19.210 14.776 19.135 1.00 0.00 C ATOM 836 O ILE A 53 18.805 13.799 19.767 1.00 0.00 O ATOM 837 CB ILE A 53 20.014 16.943 20.279 1.00 0.00 C ATOM 838 CG1 ILE A 53 21.243 17.466 21.048 1.00 0.00 C ATOM 839 CG2 ILE A 53 18.814 16.801 21.223 1.00 0.00 C ATOM 840 CD1 ILE A 53 21.006 18.763 21.817 1.00 0.00 C ATOM 0 H ILE A 53 21.611 16.683 18.384 1.00 0.00 H new ATOM 0 HA ILE A 53 20.784 15.000 20.519 1.00 0.00 H new ATOM 0 HB ILE A 53 19.731 17.640 19.490 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.571 16.698 21.749 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.058 17.622 20.341 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.560 17.777 21.637 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.961 16.408 20.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 19.067 16.117 22.033 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.923 19.056 22.327 1.00 0.00 H new ATOM 0 HD12 ILE A 53 20.710 19.549 21.122 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.215 18.611 22.551 1.00 0.00 H new ATOM 852 N LEU A 54 18.665 15.144 17.968 1.00 0.00 N ATOM 853 CA LEU A 54 17.585 14.363 17.376 1.00 0.00 C ATOM 854 C LEU A 54 18.025 12.907 17.203 1.00 0.00 C ATOM 855 O LEU A 54 17.300 12.000 17.596 1.00 0.00 O ATOM 856 CB LEU A 54 17.091 14.980 16.059 1.00 0.00 C ATOM 857 CG LEU A 54 15.801 14.321 15.524 1.00 0.00 C ATOM 858 CD1 LEU A 54 14.631 14.427 16.513 1.00 0.00 C ATOM 859 CD2 LEU A 54 15.375 14.987 14.215 1.00 0.00 C ATOM 0 H LEU A 54 18.951 15.961 17.429 1.00 0.00 H new ATOM 0 HA LEU A 54 16.734 14.380 18.056 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.912 16.045 16.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 17.875 14.891 15.307 1.00 0.00 H new ATOM 0 HG LEU A 54 16.033 13.267 15.372 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.750 13.948 16.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.898 13.932 17.447 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.414 15.477 16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.464 14.515 13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.189 16.047 14.390 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.167 14.875 13.475 1.00 0.00 H new ATOM 871 N GLU A 55 19.227 12.683 16.667 1.00 0.00 N ATOM 872 CA GLU A 55 19.825 11.365 16.514 1.00 0.00 C ATOM 873 C GLU A 55 19.747 10.584 17.827 1.00 0.00 C ATOM 874 O GLU A 55 19.249 9.461 17.854 1.00 0.00 O ATOM 875 CB GLU A 55 21.270 11.507 16.021 1.00 0.00 C ATOM 876 CG GLU A 55 21.869 10.183 15.535 1.00 0.00 C ATOM 877 CD GLU A 55 23.287 10.405 15.019 1.00 0.00 C ATOM 878 OE1 GLU A 55 23.404 11.015 13.932 1.00 0.00 O ATOM 879 OE2 GLU A 55 24.226 9.993 15.733 1.00 0.00 O ATOM 0 H GLU A 55 19.822 13.435 16.320 1.00 0.00 H new ATOM 0 HA GLU A 55 19.267 10.799 15.768 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.301 12.234 15.209 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.886 11.904 16.828 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.880 9.459 16.350 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.248 9.763 14.744 1.00 0.00 H new ATOM 886 N LYS A 56 20.232 11.175 18.921 1.00 0.00 N ATOM 887 CA LYS A 56 20.247 10.506 20.211 1.00 0.00 C ATOM 888 C LYS A 56 18.815 10.217 20.675 1.00 0.00 C ATOM 889 O LYS A 56 18.521 9.118 21.145 1.00 0.00 O ATOM 890 CB LYS A 56 21.048 11.354 21.207 1.00 0.00 C ATOM 891 CG LYS A 56 21.256 10.676 22.567 1.00 0.00 C ATOM 892 CD LYS A 56 21.924 9.299 22.456 1.00 0.00 C ATOM 893 CE LYS A 56 22.435 8.878 23.836 1.00 0.00 C ATOM 894 NZ LYS A 56 22.852 7.467 23.871 1.00 0.00 N ATOM 0 H LYS A 56 20.619 12.119 18.933 1.00 0.00 H new ATOM 0 HA LYS A 56 20.743 9.538 20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.021 11.585 20.774 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.533 12.303 21.359 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.868 11.321 23.198 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.292 10.567 23.063 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.212 8.565 22.079 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.749 9.338 21.745 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.277 9.510 24.118 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.652 9.042 24.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.299 7.260 24.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.020 6.856 23.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.532 7.287 23.105 1.00 0.00 H new ATOM 908 N ALA A 57 17.914 11.189 20.517 1.00 0.00 N ATOM 909 CA ALA A 57 16.508 11.014 20.846 1.00 0.00 C ATOM 910 C ALA A 57 15.917 9.813 20.100 1.00 0.00 C ATOM 911 O ALA A 57 15.421 8.876 20.718 1.00 0.00 O ATOM 912 CB ALA A 57 15.736 12.300 20.543 1.00 0.00 C ATOM 0 H ALA A 57 18.143 12.116 20.158 1.00 0.00 H new ATOM 0 HA ALA A 57 16.419 10.807 21.912 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.684 12.160 20.792 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.144 13.118 21.137 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.829 12.539 19.484 1.00 0.00 H new ATOM 918 N VAL A 58 15.970 9.812 18.769 1.00 0.00 N ATOM 919 CA VAL A 58 15.368 8.745 17.977 1.00 0.00 C ATOM 920 C VAL A 58 16.087 7.412 18.214 1.00 0.00 C ATOM 921 O VAL A 58 15.452 6.355 18.227 1.00 0.00 O ATOM 922 CB VAL A 58 15.252 9.142 16.496 1.00 0.00 C ATOM 923 CG1 VAL A 58 14.529 10.493 16.388 1.00 0.00 C ATOM 924 CG2 VAL A 58 16.598 9.193 15.767 1.00 0.00 C ATOM 0 H VAL A 58 16.425 10.540 18.218 1.00 0.00 H new ATOM 0 HA VAL A 58 14.343 8.592 18.315 1.00 0.00 H new ATOM 0 HB VAL A 58 14.676 8.362 15.999 1.00 0.00 H new ATOM 0 HG11 VAL A 58 14.445 10.778 15.339 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.533 10.408 16.822 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.096 11.253 16.926 1.00 0.00 H new ATOM 0 HG21 VAL A 58 16.438 9.480 14.728 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.246 9.925 16.250 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.069 8.211 15.804 1.00 0.00 H new ATOM 934 N GLU A 59 17.397 7.454 18.477 1.00 0.00 N ATOM 935 CA GLU A 59 18.137 6.283 18.918 1.00 0.00 C ATOM 936 C GLU A 59 17.512 5.697 20.188 1.00 0.00 C ATOM 937 O GLU A 59 17.510 4.479 20.344 1.00 0.00 O ATOM 938 CB GLU A 59 19.629 6.618 19.084 1.00 0.00 C ATOM 939 CG GLU A 59 20.505 5.402 19.420 1.00 0.00 C ATOM 940 CD GLU A 59 20.383 4.287 18.387 1.00 0.00 C ATOM 941 OE1 GLU A 59 20.687 4.567 17.208 1.00 0.00 O ATOM 942 OE2 GLU A 59 19.973 3.178 18.792 1.00 0.00 O ATOM 0 H GLU A 59 17.964 8.297 18.389 1.00 0.00 H new ATOM 0 HA GLU A 59 18.073 5.509 18.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.994 7.073 18.163 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.739 7.362 19.873 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.546 5.717 19.488 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.224 5.016 20.400 1.00 0.00 H new ATOM 949 N TYR A 60 16.937 6.519 21.078 1.00 0.00 N ATOM 950 CA TYR A 60 16.163 5.983 22.192 1.00 0.00 C ATOM 951 C TYR A 60 14.997 5.133 21.679 1.00 0.00 C ATOM 952 O TYR A 60 14.719 4.076 22.236 1.00 0.00 O ATOM 953 CB TYR A 60 15.664 7.069 23.157 1.00 0.00 C ATOM 954 CG TYR A 60 15.163 6.487 24.468 1.00 0.00 C ATOM 955 CD1 TYR A 60 13.893 5.881 24.529 1.00 0.00 C ATOM 956 CD2 TYR A 60 16.035 6.377 25.566 1.00 0.00 C ATOM 957 CE1 TYR A 60 13.550 5.068 25.622 1.00 0.00 C ATOM 958 CE2 TYR A 60 15.659 5.628 26.693 1.00 0.00 C ATOM 959 CZ TYR A 60 14.451 4.913 26.686 1.00 0.00 C ATOM 960 OH TYR A 60 14.130 4.115 27.743 1.00 0.00 O ATOM 0 H TYR A 60 16.994 7.537 21.045 1.00 0.00 H new ATOM 0 HA TYR A 60 16.840 5.350 22.765 1.00 0.00 H new ATOM 0 HB2 TYR A 60 16.472 7.772 23.359 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.862 7.634 22.682 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.181 6.042 23.733 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.996 6.870 25.542 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.595 4.564 25.643 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.298 5.602 27.563 1.00 0.00 H new ATOM 0 HH TYR A 60 13.664 3.316 27.420 1.00 0.00 H new ATOM 970 N LEU A 61 14.295 5.576 20.634 1.00 0.00 N ATOM 971 CA LEU A 61 13.155 4.828 20.115 1.00 0.00 C ATOM 972 C LEU A 61 13.632 3.484 19.559 1.00 0.00 C ATOM 973 O LEU A 61 13.052 2.444 19.864 1.00 0.00 O ATOM 974 CB LEU A 61 12.376 5.661 19.082 1.00 0.00 C ATOM 975 CG LEU A 61 10.892 5.277 18.945 1.00 0.00 C ATOM 976 CD1 LEU A 61 10.119 5.557 20.241 1.00 0.00 C ATOM 977 CD2 LEU A 61 10.280 6.118 17.817 1.00 0.00 C ATOM 0 H LEU A 61 14.496 6.443 20.136 1.00 0.00 H new ATOM 0 HA LEU A 61 12.456 4.618 20.924 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.443 6.714 19.357 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.858 5.555 18.110 1.00 0.00 H new ATOM 0 HG LEU A 61 10.825 4.211 18.729 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.074 5.275 20.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.552 4.977 21.056 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.181 6.619 20.479 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.227 5.862 17.702 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.371 7.176 18.062 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.807 5.914 16.885 1.00 0.00 H new ATOM 989 N ASN A 62 14.725 3.494 18.787 1.00 0.00 N ATOM 990 CA ASN A 62 15.359 2.256 18.333 1.00 0.00 C ATOM 991 C ASN A 62 15.711 1.352 19.521 1.00 0.00 C ATOM 992 O ASN A 62 15.348 0.181 19.548 1.00 0.00 O ATOM 993 CB ASN A 62 16.609 2.553 17.499 1.00 0.00 C ATOM 994 CG ASN A 62 17.344 1.255 17.165 1.00 0.00 C ATOM 995 OD1 ASN A 62 16.822 0.408 16.450 1.00 0.00 O ATOM 996 ND2 ASN A 62 18.553 1.076 17.688 1.00 0.00 N ATOM 0 H ASN A 62 15.186 4.345 18.465 1.00 0.00 H new ATOM 0 HA ASN A 62 14.644 1.729 17.701 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.328 3.067 16.580 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.271 3.223 18.049 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.069 0.217 17.497 1.00 0.00 H new ATOM 0 HD22 ASN A 62 18.964 1.797 18.280 1.00 0.00 H new ATOM 1003 N TYR A 63 16.415 1.901 20.511 1.00 0.00 N ATOM 1004 CA TYR A 63 16.774 1.216 21.748 1.00 0.00 C ATOM 1005 C TYR A 63 15.532 0.630 22.432 1.00 0.00 C ATOM 1006 O TYR A 63 15.568 -0.502 22.910 1.00 0.00 O ATOM 1007 CB TYR A 63 17.546 2.208 22.628 1.00 0.00 C ATOM 1008 CG TYR A 63 17.735 1.872 24.094 1.00 0.00 C ATOM 1009 CD1 TYR A 63 18.605 0.833 24.478 1.00 0.00 C ATOM 1010 CD2 TYR A 63 17.251 2.768 25.067 1.00 0.00 C ATOM 1011 CE1 TYR A 63 19.011 0.717 25.821 1.00 0.00 C ATOM 1012 CE2 TYR A 63 17.671 2.660 26.403 1.00 0.00 C ATOM 1013 CZ TYR A 63 18.562 1.643 26.776 1.00 0.00 C ATOM 1014 OH TYR A 63 19.043 1.595 28.050 1.00 0.00 O ATOM 0 H TYR A 63 16.759 2.860 20.471 1.00 0.00 H new ATOM 0 HA TYR A 63 17.418 0.360 21.548 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.534 2.344 22.188 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.037 3.170 22.570 1.00 0.00 H new ATOM 0 HD1 TYR A 63 18.960 0.126 23.743 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.553 3.542 24.784 1.00 0.00 H new ATOM 0 HE1 TYR A 63 19.669 -0.086 26.117 1.00 0.00 H new ATOM 0 HE2 TYR A 63 17.308 3.359 27.142 1.00 0.00 H new ATOM 0 HH TYR A 63 19.958 1.244 28.041 1.00 0.00 H new ATOM 1024 N ASN A 64 14.419 1.369 22.453 1.00 0.00 N ATOM 1025 CA ASN A 64 13.166 0.868 22.993 1.00 0.00 C ATOM 1026 C ASN A 64 12.702 -0.338 22.189 1.00 0.00 C ATOM 1027 O ASN A 64 12.442 -1.391 22.765 1.00 0.00 O ATOM 1028 CB ASN A 64 12.087 1.958 23.056 1.00 0.00 C ATOM 1029 CG ASN A 64 10.962 1.596 24.031 1.00 0.00 C ATOM 1030 OD1 ASN A 64 10.747 2.301 25.013 1.00 0.00 O ATOM 1031 ND2 ASN A 64 10.243 0.496 23.824 1.00 0.00 N ATOM 0 H ASN A 64 14.368 2.324 22.097 1.00 0.00 H new ATOM 0 HA ASN A 64 13.341 0.554 24.022 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.541 2.901 23.361 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.669 2.112 22.061 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.509 0.235 24.483 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.426 -0.086 23.007 1.00 0.00 H new ATOM 1038 N LEU A 65 12.591 -0.193 20.865 1.00 0.00 N ATOM 1039 CA LEU A 65 12.198 -1.285 19.982 1.00 0.00 C ATOM 1040 C LEU A 65 13.060 -2.518 20.259 1.00 0.00 C ATOM 1041 O LEU A 65 12.535 -3.617 20.429 1.00 0.00 O ATOM 1042 CB LEU A 65 12.283 -0.832 18.515 1.00 0.00 C ATOM 1043 CG LEU A 65 11.907 -1.923 17.496 1.00 0.00 C ATOM 1044 CD1 LEU A 65 10.452 -2.382 17.645 1.00 0.00 C ATOM 1045 CD2 LEU A 65 12.121 -1.379 16.079 1.00 0.00 C ATOM 0 H LEU A 65 12.772 0.686 20.380 1.00 0.00 H new ATOM 0 HA LEU A 65 11.162 -1.562 20.177 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.625 0.025 18.372 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.298 -0.492 18.309 1.00 0.00 H new ATOM 0 HG LEU A 65 12.546 -2.786 17.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.236 -3.152 16.904 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.299 -2.788 18.645 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.785 -1.533 17.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.857 -2.146 15.351 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.492 -0.502 15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.167 -1.101 15.950 1.00 0.00 H new ATOM 1057 N LYS A 66 14.378 -2.323 20.353 1.00 0.00 N ATOM 1058 CA LYS A 66 15.309 -3.380 20.698 1.00 0.00 C ATOM 1059 C LYS A 66 14.912 -4.016 22.031 1.00 0.00 C ATOM 1060 O LYS A 66 14.541 -5.187 22.048 1.00 0.00 O ATOM 1061 CB LYS A 66 16.750 -2.849 20.690 1.00 0.00 C ATOM 1062 CG LYS A 66 17.811 -3.932 20.950 1.00 0.00 C ATOM 1063 CD LYS A 66 17.755 -5.124 19.982 1.00 0.00 C ATOM 1064 CE LYS A 66 17.890 -4.691 18.517 1.00 0.00 C ATOM 1065 NZ LYS A 66 17.962 -5.857 17.619 1.00 0.00 N ATOM 0 H LYS A 66 14.823 -1.420 20.190 1.00 0.00 H new ATOM 0 HA LYS A 66 15.265 -4.168 19.946 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.950 -2.381 19.726 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.845 -2.071 21.447 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.799 -3.477 20.889 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.693 -4.301 21.969 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.553 -5.825 20.226 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.812 -5.654 20.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.040 -4.068 18.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.785 -4.081 18.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.053 -5.532 16.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.788 -6.438 17.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.096 -6.425 17.718 1.00 0.00 H new ATOM 1079 N TYR A 67 14.944 -3.269 23.144 1.00 0.00 N ATOM 1080 CA TYR A 67 14.656 -3.852 24.454 1.00 0.00 C ATOM 1081 C TYR A 67 13.245 -4.445 24.554 1.00 0.00 C ATOM 1082 O TYR A 67 12.999 -5.317 25.383 1.00 0.00 O ATOM 1083 CB TYR A 67 15.049 -2.930 25.621 1.00 0.00 C ATOM 1084 CG TYR A 67 14.344 -1.594 25.798 1.00 0.00 C ATOM 1085 CD1 TYR A 67 12.958 -1.540 26.048 1.00 0.00 C ATOM 1086 CD2 TYR A 67 15.125 -0.443 26.028 1.00 0.00 C ATOM 1087 CE1 TYR A 67 12.353 -0.334 26.442 1.00 0.00 C ATOM 1088 CE2 TYR A 67 14.526 0.748 26.475 1.00 0.00 C ATOM 1089 CZ TYR A 67 13.139 0.809 26.667 1.00 0.00 C ATOM 1090 OH TYR A 67 12.555 2.004 26.968 1.00 0.00 O ATOM 0 H TYR A 67 15.164 -2.273 23.160 1.00 0.00 H new ATOM 0 HA TYR A 67 15.315 -4.714 24.555 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.911 -3.495 26.543 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.116 -2.725 25.529 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.357 -2.431 25.936 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.191 -0.476 25.860 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.282 -0.286 26.572 1.00 0.00 H new ATOM 0 HE2 TYR A 67 15.136 1.618 26.671 1.00 0.00 H new ATOM 0 HH TYR A 67 11.889 2.224 26.284 1.00 0.00 H new ATOM 1100 N SER A 68 12.322 -4.014 23.694 1.00 0.00 N ATOM 1101 CA SER A 68 10.978 -4.577 23.632 1.00 0.00 C ATOM 1102 C SER A 68 10.976 -6.009 23.083 1.00 0.00 C ATOM 1103 O SER A 68 10.023 -6.743 23.334 1.00 0.00 O ATOM 1104 CB SER A 68 10.057 -3.675 22.805 1.00 0.00 C ATOM 1105 OG SER A 68 10.033 -2.375 23.361 1.00 0.00 O ATOM 0 H SER A 68 12.487 -3.265 23.022 1.00 0.00 H new ATOM 0 HA SER A 68 10.598 -4.626 24.652 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.406 -3.633 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.049 -4.090 22.784 1.00 0.00 H new ATOM 0 HG SER A 68 10.915 -1.960 23.261 1.00 0.00 H new ATOM 1111 N GLY A 69 12.005 -6.408 22.326 1.00 0.00 N ATOM 1112 CA GLY A 69 12.083 -7.740 21.739 1.00 0.00 C ATOM 1113 C GLY A 69 13.520 -8.248 21.672 1.00 0.00 C ATOM 1114 O GLY A 69 13.886 -8.931 20.713 1.00 0.00 O ATOM 0 H GLY A 69 12.804 -5.813 22.107 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.480 -8.432 22.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.658 -7.720 20.736 1.00 0.00 H new ATOM 1118 N VAL A 70 14.326 -7.939 22.696 1.00 0.00 N ATOM 1119 CA VAL A 70 15.742 -8.292 22.791 1.00 0.00 C ATOM 1120 C VAL A 70 15.893 -9.788 23.123 1.00 0.00 C ATOM 1121 O VAL A 70 16.420 -10.203 24.156 1.00 0.00 O ATOM 1122 CB VAL A 70 16.461 -7.313 23.741 1.00 0.00 C ATOM 1123 CG1 VAL A 70 15.905 -7.330 25.174 1.00 0.00 C ATOM 1124 CG2 VAL A 70 17.985 -7.508 23.706 1.00 0.00 C ATOM 0 H VAL A 70 13.995 -7.418 23.508 1.00 0.00 H new ATOM 0 HA VAL A 70 16.247 -8.173 21.832 1.00 0.00 H new ATOM 0 HB VAL A 70 16.249 -6.313 23.362 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.457 -6.618 25.787 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.851 -7.054 25.158 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.012 -8.330 25.594 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.458 -6.801 24.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.229 -8.525 24.012 1.00 0.00 H new ATOM 0 HG23 VAL A 70 18.351 -7.336 22.694 1.00 0.00 H new ATOM 1244 N GLU A 79 25.174 1.011 27.336 1.00 0.00 N ATOM 1245 CA GLU A 79 25.234 2.066 28.335 1.00 0.00 C ATOM 1246 C GLU A 79 24.650 3.356 27.751 1.00 0.00 C ATOM 1247 O GLU A 79 25.388 4.264 27.370 1.00 0.00 O ATOM 1248 CB GLU A 79 26.686 2.258 28.800 1.00 0.00 C ATOM 1249 CG GLU A 79 27.246 0.992 29.464 1.00 0.00 C ATOM 1250 CD GLU A 79 28.667 1.215 29.974 1.00 0.00 C ATOM 1251 OE1 GLU A 79 29.588 1.149 29.131 1.00 0.00 O ATOM 1252 OE2 GLU A 79 28.805 1.448 31.194 1.00 0.00 O ATOM 0 HA GLU A 79 24.640 1.791 29.206 1.00 0.00 H new ATOM 0 HB2 GLU A 79 27.308 2.526 27.946 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.735 3.089 29.503 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.602 0.698 30.293 1.00 0.00 H new ATOM 0 HG3 GLU A 79 27.239 0.170 28.748 1.00 0.00 H new ATOM 1259 N PHE A 80 23.318 3.427 27.667 1.00 0.00 N ATOM 1260 CA PHE A 80 22.597 4.565 27.113 1.00 0.00 C ATOM 1261 C PHE A 80 22.715 5.772 28.054 1.00 0.00 C ATOM 1262 O PHE A 80 21.779 6.111 28.778 1.00 0.00 O ATOM 1263 CB PHE A 80 21.140 4.173 26.805 1.00 0.00 C ATOM 1264 CG PHE A 80 20.472 5.027 25.740 1.00 0.00 C ATOM 1265 CD1 PHE A 80 20.119 6.365 26.009 1.00 0.00 C ATOM 1266 CD2 PHE A 80 20.212 4.485 24.466 1.00 0.00 C ATOM 1267 CE1 PHE A 80 19.582 7.172 24.992 1.00 0.00 C ATOM 1268 CE2 PHE A 80 19.624 5.280 23.467 1.00 0.00 C ATOM 1269 CZ PHE A 80 19.341 6.633 23.717 1.00 0.00 C ATOM 0 H PHE A 80 22.704 2.679 27.989 1.00 0.00 H new ATOM 0 HA PHE A 80 23.044 4.863 26.165 1.00 0.00 H new ATOM 0 HB2 PHE A 80 21.117 3.131 26.485 1.00 0.00 H new ATOM 0 HB3 PHE A 80 20.557 4.238 27.724 1.00 0.00 H new ATOM 0 HD1 PHE A 80 20.262 6.771 27.000 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.465 3.456 24.256 1.00 0.00 H new ATOM 0 HE1 PHE A 80 19.354 8.209 25.191 1.00 0.00 H new ATOM 0 HE2 PHE A 80 19.389 4.849 22.505 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.940 7.257 22.932 1.00 0.00 H new ATOM 1279 N GLU A 81 23.882 6.413 28.060 1.00 0.00 N ATOM 1280 CA GLU A 81 24.105 7.690 28.720 1.00 0.00 C ATOM 1281 C GLU A 81 23.683 8.817 27.776 1.00 0.00 C ATOM 1282 O GLU A 81 23.513 8.593 26.579 1.00 0.00 O ATOM 1283 CB GLU A 81 25.587 7.830 29.082 1.00 0.00 C ATOM 1284 CG GLU A 81 26.036 6.725 30.048 1.00 0.00 C ATOM 1285 CD GLU A 81 27.505 6.878 30.425 1.00 0.00 C ATOM 1286 OE1 GLU A 81 27.800 7.838 31.168 1.00 0.00 O ATOM 1287 OE2 GLU A 81 28.303 6.037 29.958 1.00 0.00 O ATOM 0 H GLU A 81 24.714 6.049 27.596 1.00 0.00 H new ATOM 0 HA GLU A 81 23.515 7.744 29.635 1.00 0.00 H new ATOM 0 HB2 GLU A 81 26.190 7.789 28.175 1.00 0.00 H new ATOM 0 HB3 GLU A 81 25.761 8.805 29.537 1.00 0.00 H new ATOM 0 HG2 GLU A 81 25.423 6.756 30.949 1.00 0.00 H new ATOM 0 HG3 GLU A 81 25.877 5.750 29.587 1.00 0.00 H new ATOM 1294 N ILE A 82 23.550 10.034 28.310 1.00 0.00 N ATOM 1295 CA ILE A 82 23.319 11.243 27.534 1.00 0.00 C ATOM 1296 C ILE A 82 24.445 12.228 27.871 1.00 0.00 C ATOM 1297 O ILE A 82 24.574 12.586 29.040 1.00 0.00 O ATOM 1298 CB ILE A 82 21.927 11.826 27.854 1.00 0.00 C ATOM 1299 CG1 ILE A 82 20.797 10.897 27.368 1.00 0.00 C ATOM 1300 CG2 ILE A 82 21.757 13.192 27.180 1.00 0.00 C ATOM 1301 CD1 ILE A 82 20.254 10.021 28.495 1.00 0.00 C ATOM 0 H ILE A 82 23.602 10.204 29.314 1.00 0.00 H new ATOM 0 HA ILE A 82 23.329 11.032 26.465 1.00 0.00 H new ATOM 0 HB ILE A 82 21.861 11.927 28.937 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.987 11.497 26.953 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.169 10.263 26.563 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.771 13.593 27.414 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.523 13.876 27.546 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.857 13.080 26.100 1.00 0.00 H new ATOM 0 HD11 ILE A 82 19.460 9.382 28.109 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.057 9.401 28.893 1.00 0.00 H new ATOM 0 HD13 ILE A 82 19.857 10.654 29.289 1.00 0.00 H new ATOM 1313 N PRO A 83 25.272 12.652 26.895 1.00 0.00 N ATOM 1314 CA PRO A 83 26.290 13.671 27.111 1.00 0.00 C ATOM 1315 C PRO A 83 25.709 14.929 27.765 1.00 0.00 C ATOM 1316 O PRO A 83 24.722 15.478 27.282 1.00 0.00 O ATOM 1317 CB PRO A 83 26.951 13.933 25.757 1.00 0.00 C ATOM 1318 CG PRO A 83 26.695 12.637 24.984 1.00 0.00 C ATOM 1319 CD PRO A 83 25.373 12.109 25.550 1.00 0.00 C ATOM 0 HA PRO A 83 27.044 13.329 27.820 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.511 14.795 25.255 1.00 0.00 H new ATOM 0 HB3 PRO A 83 28.017 14.135 25.862 1.00 0.00 H new ATOM 0 HG2 PRO A 83 26.623 12.822 23.912 1.00 0.00 H new ATOM 0 HG3 PRO A 83 27.504 11.921 25.130 1.00 0.00 H new ATOM 0 HD2 PRO A 83 24.530 12.427 24.936 1.00 0.00 H new ATOM 0 HD3 PRO A 83 25.362 11.019 25.567 1.00 0.00 H new ATOM 1327 N THR A 84 26.323 15.358 28.871 1.00 0.00 N ATOM 1328 CA THR A 84 25.888 16.380 29.810 1.00 0.00 C ATOM 1329 C THR A 84 24.947 17.448 29.239 1.00 0.00 C ATOM 1330 O THR A 84 23.834 17.630 29.734 1.00 0.00 O ATOM 1331 CB THR A 84 27.152 16.980 30.442 1.00 0.00 C ATOM 1332 OG1 THR A 84 28.070 15.926 30.683 1.00 0.00 O ATOM 1333 CG2 THR A 84 26.843 17.691 31.762 1.00 0.00 C ATOM 0 H THR A 84 27.218 14.958 29.152 1.00 0.00 H new ATOM 0 HA THR A 84 25.258 15.904 30.561 1.00 0.00 H new ATOM 0 HB THR A 84 27.569 17.719 29.757 1.00 0.00 H new ATOM 0 HG1 THR A 84 28.886 16.289 31.086 1.00 0.00 H new ATOM 0 HG21 THR A 84 27.763 18.102 32.178 1.00 0.00 H new ATOM 0 HG22 THR A 84 26.133 18.499 31.583 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.413 16.979 32.467 1.00 0.00 H new ATOM 1341 N GLU A 85 25.401 18.173 28.216 1.00 0.00 N ATOM 1342 CA GLU A 85 24.689 19.316 27.665 1.00 0.00 C ATOM 1343 C GLU A 85 23.440 18.903 26.881 1.00 0.00 C ATOM 1344 O GLU A 85 22.450 19.634 26.883 1.00 0.00 O ATOM 1345 CB GLU A 85 25.630 20.201 26.825 1.00 0.00 C ATOM 1346 CG GLU A 85 26.261 19.545 25.582 1.00 0.00 C ATOM 1347 CD GLU A 85 27.429 18.619 25.913 1.00 0.00 C ATOM 1348 OE1 GLU A 85 27.151 17.437 26.213 1.00 0.00 O ATOM 1349 OE2 GLU A 85 28.574 19.116 25.890 1.00 0.00 O ATOM 0 H GLU A 85 26.284 17.977 27.745 1.00 0.00 H new ATOM 0 HA GLU A 85 24.336 19.912 28.506 1.00 0.00 H new ATOM 0 HB2 GLU A 85 25.073 21.080 26.501 1.00 0.00 H new ATOM 0 HB3 GLU A 85 26.434 20.553 27.471 1.00 0.00 H new ATOM 0 HG2 GLU A 85 25.496 18.978 25.052 1.00 0.00 H new ATOM 0 HG3 GLU A 85 26.606 20.326 24.904 1.00 0.00 H new ATOM 1356 N MET A 86 23.491 17.751 26.203 1.00 0.00 N ATOM 1357 CA MET A 86 22.481 17.311 25.244 1.00 0.00 C ATOM 1358 C MET A 86 21.100 17.429 25.889 1.00 0.00 C ATOM 1359 O MET A 86 20.206 18.095 25.367 1.00 0.00 O ATOM 1360 CB MET A 86 22.763 15.860 24.828 1.00 0.00 C ATOM 1361 CG MET A 86 24.143 15.651 24.185 1.00 0.00 C ATOM 1362 SD MET A 86 24.262 15.948 22.403 1.00 0.00 S ATOM 1363 CE MET A 86 23.408 14.483 21.772 1.00 0.00 C ATOM 0 H MET A 86 24.256 17.085 26.311 1.00 0.00 H new ATOM 0 HA MET A 86 22.512 17.937 24.352 1.00 0.00 H new ATOM 0 HB2 MET A 86 22.682 15.219 25.706 1.00 0.00 H new ATOM 0 HB3 MET A 86 21.994 15.538 24.126 1.00 0.00 H new ATOM 0 HG2 MET A 86 24.855 16.305 24.687 1.00 0.00 H new ATOM 0 HG3 MET A 86 24.458 14.626 24.381 1.00 0.00 H new ATOM 0 HE1 MET A 86 23.393 14.511 20.682 1.00 0.00 H new ATOM 0 HE2 MET A 86 23.930 13.586 22.105 1.00 0.00 H new ATOM 0 HE3 MET A 86 22.385 14.468 22.148 1.00 0.00 H new ATOM 1373 N SER A 87 20.989 16.816 27.068 1.00 0.00 N ATOM 1374 CA SER A 87 19.918 16.878 28.045 1.00 0.00 C ATOM 1375 C SER A 87 19.059 18.144 27.943 1.00 0.00 C ATOM 1376 O SER A 87 17.834 18.059 27.842 1.00 0.00 O ATOM 1377 CB SER A 87 20.596 16.765 29.417 1.00 0.00 C ATOM 1378 OG SER A 87 21.717 15.904 29.314 1.00 0.00 O ATOM 0 H SER A 87 21.733 16.197 27.390 1.00 0.00 H new ATOM 0 HA SER A 87 19.210 16.068 27.869 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.910 17.750 29.763 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.892 16.378 30.153 1.00 0.00 H new ATOM 0 HG SER A 87 22.539 16.420 29.447 1.00 0.00 H new ATOM 1384 N LEU A 88 19.718 19.310 27.960 1.00 0.00 N ATOM 1385 CA LEU A 88 19.092 20.626 28.042 1.00 0.00 C ATOM 1386 C LEU A 88 18.085 20.868 26.917 1.00 0.00 C ATOM 1387 O LEU A 88 17.125 21.609 27.107 1.00 0.00 O ATOM 1388 CB LEU A 88 20.173 21.715 28.003 1.00 0.00 C ATOM 1389 CG LEU A 88 21.196 21.630 29.152 1.00 0.00 C ATOM 1390 CD1 LEU A 88 22.333 22.624 28.889 1.00 0.00 C ATOM 1391 CD2 LEU A 88 20.557 21.942 30.511 1.00 0.00 C ATOM 0 H LEU A 88 20.736 19.359 27.915 1.00 0.00 H new ATOM 0 HA LEU A 88 18.545 20.665 28.984 1.00 0.00 H new ATOM 0 HB2 LEU A 88 20.704 21.651 27.053 1.00 0.00 H new ATOM 0 HB3 LEU A 88 19.690 22.692 28.033 1.00 0.00 H new ATOM 0 HG LEU A 88 21.577 20.609 29.187 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.060 22.568 29.699 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.821 22.377 27.946 1.00 0.00 H new ATOM 0 HD13 LEU A 88 21.928 23.634 28.834 1.00 0.00 H new ATOM 0 HD21 LEU A 88 21.313 21.871 31.293 1.00 0.00 H new ATOM 0 HD22 LEU A 88 20.144 22.951 30.496 1.00 0.00 H new ATOM 0 HD23 LEU A 88 19.759 21.226 30.711 1.00 0.00 H new ATOM 1403 N GLU A 89 18.316 20.267 25.748 1.00 0.00 N ATOM 1404 CA GLU A 89 17.417 20.333 24.603 1.00 0.00 C ATOM 1405 C GLU A 89 16.764 18.961 24.393 1.00 0.00 C ATOM 1406 O GLU A 89 15.560 18.861 24.145 1.00 0.00 O ATOM 1407 CB GLU A 89 18.225 20.827 23.397 1.00 0.00 C ATOM 1408 CG GLU A 89 17.411 20.787 22.098 1.00 0.00 C ATOM 1409 CD GLU A 89 18.178 21.363 20.911 1.00 0.00 C ATOM 1410 OE1 GLU A 89 18.540 22.556 20.994 1.00 0.00 O ATOM 1411 OE2 GLU A 89 18.388 20.605 19.939 1.00 0.00 O ATOM 0 H GLU A 89 19.152 19.710 25.571 1.00 0.00 H new ATOM 0 HA GLU A 89 16.599 21.036 24.760 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.562 21.847 23.581 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.118 20.212 23.283 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.131 19.756 21.880 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.486 21.347 22.235 1.00 0.00 H new ATOM 1418 N LEU A 90 17.563 17.899 24.522 1.00 0.00 N ATOM 1419 CA LEU A 90 17.144 16.515 24.369 1.00 0.00 C ATOM 1420 C LEU A 90 15.865 16.215 25.145 1.00 0.00 C ATOM 1421 O LEU A 90 15.055 15.434 24.656 1.00 0.00 O ATOM 1422 CB LEU A 90 18.293 15.577 24.770 1.00 0.00 C ATOM 1423 CG LEU A 90 18.027 14.095 24.440 1.00 0.00 C ATOM 1424 CD1 LEU A 90 19.322 13.430 23.968 1.00 0.00 C ATOM 1425 CD2 LEU A 90 17.516 13.339 25.672 1.00 0.00 C ATOM 0 H LEU A 90 18.554 17.989 24.744 1.00 0.00 H new ATOM 0 HA LEU A 90 16.907 16.341 23.319 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.204 15.895 24.263 1.00 0.00 H new ATOM 0 HB3 LEU A 90 18.473 15.675 25.840 1.00 0.00 H new ATOM 0 HG LEU A 90 17.270 14.058 23.657 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.129 12.383 23.736 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.688 13.938 23.076 1.00 0.00 H new ATOM 0 HD13 LEU A 90 20.072 13.495 24.756 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.337 12.296 25.410 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.261 13.391 26.466 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.586 13.792 26.017 1.00 0.00 H new ATOM 1437 N LEU A 91 15.651 16.819 26.324 1.00 0.00 N ATOM 1438 CA LEU A 91 14.448 16.544 27.109 1.00 0.00 C ATOM 1439 C LEU A 91 13.149 16.652 26.296 1.00 0.00 C ATOM 1440 O LEU A 91 12.225 15.877 26.537 1.00 0.00 O ATOM 1441 CB LEU A 91 14.395 17.334 28.431 1.00 0.00 C ATOM 1442 CG LEU A 91 13.843 18.767 28.372 1.00 0.00 C ATOM 1443 CD1 LEU A 91 13.613 19.275 29.800 1.00 0.00 C ATOM 1444 CD2 LEU A 91 14.821 19.711 27.675 1.00 0.00 C ATOM 0 H LEU A 91 16.290 17.493 26.747 1.00 0.00 H new ATOM 0 HA LEU A 91 14.526 15.494 27.392 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.789 16.768 29.139 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.405 17.378 28.839 1.00 0.00 H new ATOM 0 HG LEU A 91 12.910 18.748 27.808 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.221 20.292 29.766 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.897 18.627 30.306 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.557 19.268 30.345 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.401 20.716 27.650 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.764 19.726 28.221 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.997 19.366 26.656 1.00 0.00 H new ATOM 1456 N LEU A 92 13.068 17.557 25.308 1.00 0.00 N ATOM 1457 CA LEU A 92 11.870 17.697 24.474 1.00 0.00 C ATOM 1458 C LEU A 92 11.511 16.387 23.756 1.00 0.00 C ATOM 1459 O LEU A 92 10.342 16.157 23.439 1.00 0.00 O ATOM 1460 CB LEU A 92 12.030 18.833 23.454 1.00 0.00 C ATOM 1461 CG LEU A 92 11.694 20.231 24.001 1.00 0.00 C ATOM 1462 CD1 LEU A 92 12.687 20.709 25.064 1.00 0.00 C ATOM 1463 CD2 LEU A 92 11.671 21.242 22.849 1.00 0.00 C ATOM 0 H LEU A 92 13.821 18.202 25.069 1.00 0.00 H new ATOM 0 HA LEU A 92 11.049 17.946 25.146 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.057 18.836 23.090 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.389 18.628 22.597 1.00 0.00 H new ATOM 0 HG LEU A 92 10.715 20.159 24.475 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.398 21.701 25.412 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.683 20.014 25.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.688 20.753 24.634 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.433 22.232 23.238 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.648 21.267 22.367 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.915 20.947 22.121 1.00 0.00 H new ATOM 1475 N ALA A 93 12.491 15.504 23.532 1.00 0.00 N ATOM 1476 CA ALA A 93 12.261 14.156 23.034 1.00 0.00 C ATOM 1477 C ALA A 93 11.144 13.458 23.809 1.00 0.00 C ATOM 1478 O ALA A 93 10.340 12.747 23.213 1.00 0.00 O ATOM 1479 CB ALA A 93 13.547 13.336 23.138 1.00 0.00 C ATOM 0 H ALA A 93 13.476 15.715 23.696 1.00 0.00 H new ATOM 0 HA ALA A 93 11.956 14.232 21.990 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.367 12.328 22.764 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.329 13.809 22.545 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.863 13.285 24.180 1.00 0.00 H new ATOM 1485 N ALA A 94 11.078 13.673 25.128 1.00 0.00 N ATOM 1486 CA ALA A 94 10.034 13.104 25.968 1.00 0.00 C ATOM 1487 C ALA A 94 8.642 13.478 25.453 1.00 0.00 C ATOM 1488 O ALA A 94 7.732 12.655 25.492 1.00 0.00 O ATOM 1489 CB ALA A 94 10.221 13.564 27.417 1.00 0.00 C ATOM 0 H ALA A 94 11.750 14.247 25.637 1.00 0.00 H new ATOM 0 HA ALA A 94 10.116 12.018 25.930 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.436 13.134 28.039 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.194 13.234 27.781 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.166 14.652 27.463 1.00 0.00 H new ATOM 1495 N ASP A 95 8.474 14.713 24.965 1.00 0.00 N ATOM 1496 CA ASP A 95 7.231 15.136 24.340 1.00 0.00 C ATOM 1497 C ASP A 95 7.131 14.515 22.948 1.00 0.00 C ATOM 1498 O ASP A 95 6.176 13.796 22.655 1.00 0.00 O ATOM 1499 CB ASP A 95 7.154 16.667 24.274 1.00 0.00 C ATOM 1500 CG ASP A 95 5.913 17.116 23.510 1.00 0.00 C ATOM 1501 OD1 ASP A 95 4.821 17.050 24.115 1.00 0.00 O ATOM 1502 OD2 ASP A 95 6.077 17.499 22.332 1.00 0.00 O ATOM 0 H ASP A 95 9.193 15.436 24.995 1.00 0.00 H new ATOM 0 HA ASP A 95 6.387 14.793 24.939 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.133 17.078 25.283 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.047 17.060 23.788 1.00 0.00 H new ATOM 1507 N TYR A 96 8.120 14.798 22.094 1.00 0.00 N ATOM 1508 CA TYR A 96 8.090 14.413 20.686 1.00 0.00 C ATOM 1509 C TYR A 96 7.738 12.935 20.517 1.00 0.00 C ATOM 1510 O TYR A 96 6.892 12.577 19.700 1.00 0.00 O ATOM 1511 CB TYR A 96 9.448 14.675 20.023 1.00 0.00 C ATOM 1512 CG TYR A 96 10.004 16.087 20.044 1.00 0.00 C ATOM 1513 CD1 TYR A 96 9.194 17.211 20.306 1.00 0.00 C ATOM 1514 CD2 TYR A 96 11.343 16.273 19.656 1.00 0.00 C ATOM 1515 CE1 TYR A 96 9.733 18.506 20.204 1.00 0.00 C ATOM 1516 CE2 TYR A 96 11.868 17.566 19.526 1.00 0.00 C ATOM 1517 CZ TYR A 96 11.069 18.682 19.813 1.00 0.00 C ATOM 1518 OH TYR A 96 11.590 19.933 19.686 1.00 0.00 O ATOM 0 H TYR A 96 8.965 15.302 22.364 1.00 0.00 H new ATOM 0 HA TYR A 96 7.321 15.019 20.206 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.181 14.023 20.499 1.00 0.00 H new ATOM 0 HB3 TYR A 96 9.374 14.363 18.981 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.159 17.077 20.585 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.969 15.416 19.457 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.118 19.366 20.427 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.890 17.703 19.204 1.00 0.00 H new ATOM 0 HH TYR A 96 12.562 19.896 19.803 1.00 0.00 H new ATOM 1528 N LEU A 97 8.404 12.078 21.290 1.00 0.00 N ATOM 1529 CA LEU A 97 8.310 10.633 21.180 1.00 0.00 C ATOM 1530 C LEU A 97 7.278 10.054 22.157 1.00 0.00 C ATOM 1531 O LEU A 97 7.288 8.843 22.376 1.00 0.00 O ATOM 1532 CB LEU A 97 9.703 10.029 21.442 1.00 0.00 C ATOM 1533 CG LEU A 97 10.822 10.600 20.552 1.00 0.00 C ATOM 1534 CD1 LEU A 97 12.139 9.889 20.881 1.00 0.00 C ATOM 1535 CD2 LEU A 97 10.512 10.432 19.060 1.00 0.00 C ATOM 0 H LEU A 97 9.039 12.383 22.028 1.00 0.00 H new ATOM 0 HA LEU A 97 7.973 10.376 20.176 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.967 10.194 22.487 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.652 8.950 21.293 1.00 0.00 H new ATOM 0 HG LEU A 97 10.901 11.668 20.756 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.935 10.289 20.254 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.388 10.051 21.930 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.032 8.820 20.694 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.328 10.849 18.470 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.401 9.373 18.829 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.586 10.955 18.820 1.00 0.00 H new ATOM 1547 N SER A 98 6.417 10.889 22.757 1.00 0.00 N ATOM 1548 CA SER A 98 5.555 10.467 23.856 1.00 0.00 C ATOM 1549 C SER A 98 4.632 9.292 23.511 1.00 0.00 C ATOM 1550 O SER A 98 4.324 9.019 22.350 1.00 0.00 O ATOM 1551 CB SER A 98 4.750 11.652 24.406 1.00 0.00 C ATOM 1552 OG SER A 98 4.074 11.276 25.593 1.00 0.00 O ATOM 0 H SER A 98 6.303 11.867 22.492 1.00 0.00 H new ATOM 0 HA SER A 98 6.226 10.097 24.632 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.416 12.491 24.608 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.030 11.989 23.660 1.00 0.00 H new ATOM 0 HG SER A 98 3.565 12.040 25.936 1.00 0.00 H new ATOM 1558 N ILE A 99 4.172 8.634 24.578 1.00 0.00 N ATOM 1559 CA ILE A 99 3.308 7.466 24.585 1.00 0.00 C ATOM 1560 C ILE A 99 2.260 7.630 25.688 1.00 0.00 C ATOM 1561 O ILE A 99 2.638 8.146 26.764 1.00 0.00 O ATOM 1562 CB ILE A 99 4.152 6.183 24.735 1.00 0.00 C ATOM 1563 CG1 ILE A 99 3.263 4.936 24.573 1.00 0.00 C ATOM 1564 CG2 ILE A 99 4.931 6.147 26.060 1.00 0.00 C ATOM 1565 CD1 ILE A 99 4.058 3.626 24.577 1.00 0.00 C ATOM 1566 OXT ILE A 99 1.097 7.250 25.430 1.00 0.00 O ATOM 0 H ILE A 99 4.415 8.930 25.523 1.00 0.00 H new ATOM 0 HA ILE A 99 2.776 7.373 23.638 1.00 0.00 H new ATOM 0 HB ILE A 99 4.897 6.185 23.939 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.531 4.912 25.380 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.706 5.013 23.639 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.509 5.225 26.117 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.606 7.002 26.109 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.231 6.189 26.895 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.374 2.785 24.459 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.772 3.631 23.753 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.594 3.528 25.521 1.00 0.00 H new ATOM 1579 N THR B 157 13.126 5.568 29.933 1.00 0.00 N ATOM 1580 CA THR B 157 14.156 5.987 30.905 1.00 0.00 C ATOM 1581 C THR B 157 14.794 7.341 30.555 1.00 0.00 C ATOM 1582 O THR B 157 15.263 8.035 31.456 1.00 0.00 O ATOM 1583 CB THR B 157 15.202 4.883 31.133 1.00 0.00 C ATOM 1584 OG1 THR B 157 15.743 4.414 29.915 1.00 0.00 O ATOM 1585 CG2 THR B 157 14.603 3.691 31.884 1.00 0.00 C ATOM 0 HA THR B 157 13.644 6.142 31.855 1.00 0.00 H new ATOM 0 HB THR B 157 15.994 5.335 31.731 1.00 0.00 H new ATOM 0 HG1 THR B 157 15.079 4.515 29.202 1.00 0.00 H new ATOM 0 HG21 THR B 157 15.369 2.929 32.028 1.00 0.00 H new ATOM 0 HG22 THR B 157 14.233 4.021 32.854 1.00 0.00 H new ATOM 0 HG23 THR B 157 13.780 3.272 31.305 1.00 0.00 H new ATOM 1595 N LEU B 158 14.752 7.744 29.275 1.00 0.00 N ATOM 1596 CA LEU B 158 15.235 9.034 28.771 1.00 0.00 C ATOM 1597 C LEU B 158 14.984 10.165 29.769 1.00 0.00 C ATOM 1598 O LEU B 158 15.909 10.886 30.139 1.00 0.00 O ATOM 1599 CB LEU B 158 14.582 9.325 27.407 1.00 0.00 C ATOM 1600 CG LEU B 158 15.094 10.595 26.691 1.00 0.00 C ATOM 1601 CD1 LEU B 158 14.961 10.397 25.175 1.00 0.00 C ATOM 1602 CD2 LEU B 158 14.290 11.845 27.085 1.00 0.00 C ATOM 0 H LEU B 158 14.365 7.156 28.537 1.00 0.00 H new ATOM 0 HA LEU B 158 16.316 8.976 28.641 1.00 0.00 H new ATOM 0 HB2 LEU B 158 14.745 8.468 26.754 1.00 0.00 H new ATOM 0 HB3 LEU B 158 13.505 9.417 27.550 1.00 0.00 H new ATOM 0 HG LEU B 158 16.132 10.747 26.987 1.00 0.00 H new ATOM 0 HD11 LEU B 158 15.320 11.288 24.659 1.00 0.00 H new ATOM 0 HD12 LEU B 158 15.554 9.536 24.867 1.00 0.00 H new ATOM 0 HD13 LEU B 158 13.915 10.227 24.921 1.00 0.00 H new ATOM 0 HD21 LEU B 158 14.685 12.713 26.558 1.00 0.00 H new ATOM 0 HD22 LEU B 158 13.243 11.703 26.817 1.00 0.00 H new ATOM 0 HD23 LEU B 158 14.371 12.006 28.160 1.00 0.00 H new ATOM 1614 N LYS B 159 13.731 10.309 30.211 1.00 0.00 N ATOM 1615 CA LYS B 159 13.336 11.351 31.144 1.00 0.00 C ATOM 1616 C LYS B 159 14.192 11.315 32.415 1.00 0.00 C ATOM 1617 O LYS B 159 14.793 12.324 32.780 1.00 0.00 O ATOM 1618 CB LYS B 159 11.837 11.217 31.452 1.00 0.00 C ATOM 1619 CG LYS B 159 11.323 12.393 32.293 1.00 0.00 C ATOM 1620 CD LYS B 159 9.819 12.237 32.554 1.00 0.00 C ATOM 1621 CE LYS B 159 9.248 13.435 33.321 1.00 0.00 C ATOM 1622 NZ LYS B 159 9.845 13.570 34.663 1.00 0.00 N ATOM 0 H LYS B 159 12.964 9.700 29.926 1.00 0.00 H new ATOM 0 HA LYS B 159 13.507 12.326 30.687 1.00 0.00 H new ATOM 0 HB2 LYS B 159 11.277 11.165 30.518 1.00 0.00 H new ATOM 0 HB3 LYS B 159 11.657 10.283 31.984 1.00 0.00 H new ATOM 0 HG2 LYS B 159 11.862 12.436 33.240 1.00 0.00 H new ATOM 0 HG3 LYS B 159 11.514 13.332 31.774 1.00 0.00 H new ATOM 0 HD2 LYS B 159 9.294 12.130 31.605 1.00 0.00 H new ATOM 0 HD3 LYS B 159 9.641 11.324 33.122 1.00 0.00 H new ATOM 0 HE2 LYS B 159 9.426 14.347 32.752 1.00 0.00 H new ATOM 0 HE3 LYS B 159 8.168 13.323 33.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 159 9.360 14.328 35.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 159 9.743 12.674 35.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 159 10.854 13.804 34.572 1.00 0.00 H new ATOM 1636 N GLU B 160 14.240 10.171 33.107 1.00 0.00 N ATOM 1637 CA GLU B 160 14.953 10.094 34.375 1.00 0.00 C ATOM 1638 C GLU B 160 16.466 10.196 34.164 1.00 0.00 C ATOM 1639 O GLU B 160 17.146 10.838 34.962 1.00 0.00 O ATOM 1640 CB GLU B 160 14.483 8.919 35.251 1.00 0.00 C ATOM 1641 CG GLU B 160 14.674 7.500 34.697 1.00 0.00 C ATOM 1642 CD GLU B 160 16.112 6.983 34.734 1.00 0.00 C ATOM 1643 OE1 GLU B 160 16.931 7.577 35.467 1.00 0.00 O ATOM 1644 OE2 GLU B 160 16.360 5.977 34.037 1.00 0.00 O ATOM 0 H GLU B 160 13.799 9.300 32.811 1.00 0.00 H new ATOM 0 HA GLU B 160 14.690 10.968 34.971 1.00 0.00 H new ATOM 0 HB2 GLU B 160 15.006 8.981 36.205 1.00 0.00 H new ATOM 0 HB3 GLU B 160 13.422 9.058 35.460 1.00 0.00 H new ATOM 0 HG2 GLU B 160 14.043 6.816 35.264 1.00 0.00 H new ATOM 0 HG3 GLU B 160 14.322 7.478 33.666 1.00 0.00 H new ATOM 1651 N ARG B 161 16.991 9.625 33.073 1.00 0.00 N ATOM 1652 CA ARG B 161 18.398 9.796 32.723 1.00 0.00 C ATOM 1653 C ARG B 161 18.711 11.291 32.591 1.00 0.00 C ATOM 1654 O ARG B 161 19.610 11.814 33.247 1.00 0.00 O ATOM 1655 CB ARG B 161 18.730 9.081 31.406 1.00 0.00 C ATOM 1656 CG ARG B 161 18.559 7.560 31.445 1.00 0.00 C ATOM 1657 CD ARG B 161 18.698 7.000 30.023 1.00 0.00 C ATOM 1658 NE ARG B 161 18.237 5.611 29.956 1.00 0.00 N ATOM 1659 CZ ARG B 161 18.931 4.521 30.304 1.00 0.00 C ATOM 1660 NH1 ARG B 161 20.261 4.547 30.428 1.00 0.00 N ATOM 1661 NH2 ARG B 161 18.242 3.399 30.524 1.00 0.00 N ATOM 0 H ARG B 161 16.462 9.044 32.423 1.00 0.00 H new ATOM 0 HA ARG B 161 19.007 9.356 33.513 1.00 0.00 H new ATOM 0 HB2 ARG B 161 18.094 9.485 30.618 1.00 0.00 H new ATOM 0 HB3 ARG B 161 19.760 9.311 31.133 1.00 0.00 H new ATOM 0 HG2 ARG B 161 19.309 7.114 32.099 1.00 0.00 H new ATOM 0 HG3 ARG B 161 17.583 7.302 31.856 1.00 0.00 H new ATOM 0 HD2 ARG B 161 18.121 7.612 29.330 1.00 0.00 H new ATOM 0 HD3 ARG B 161 19.740 7.056 29.707 1.00 0.00 H new ATOM 0 HE ARG B 161 17.290 5.459 29.609 1.00 0.00 H new ATOM 0 HH11 ARG B 161 20.772 5.413 30.256 1.00 0.00 H new ATOM 0 HH12 ARG B 161 20.765 3.701 30.695 1.00 0.00 H new ATOM 0 HH21 ARG B 161 17.227 3.396 30.425 1.00 0.00 H new ATOM 0 HH22 ARG B 161 18.731 2.545 30.791 1.00 0.00 H new ATOM 1675 N CYS B 162 17.957 11.981 31.733 1.00 0.00 N ATOM 1676 CA CYS B 162 18.125 13.408 31.490 1.00 0.00 C ATOM 1677 C CYS B 162 18.019 14.200 32.794 1.00 0.00 C ATOM 1678 O CYS B 162 18.901 15.001 33.107 1.00 0.00 O ATOM 1679 CB CYS B 162 17.096 13.878 30.461 1.00 0.00 C ATOM 1680 SG CYS B 162 17.221 15.672 30.313 1.00 0.00 S ATOM 0 H CYS B 162 17.208 11.558 31.185 1.00 0.00 H new ATOM 0 HA CYS B 162 19.122 13.587 31.087 1.00 0.00 H new ATOM 0 HB2 CYS B 162 17.279 13.404 29.497 1.00 0.00 H new ATOM 0 HB3 CYS B 162 16.091 13.592 30.771 1.00 0.00 H new ATOM 0 HG CYS B 162 17.100 16.014 29.065 1.00 0.00 H new ATOM 1686 N LEU B 163 16.965 13.941 33.576 1.00 0.00 N ATOM 1687 CA LEU B 163 16.753 14.560 34.877 1.00 0.00 C ATOM 1688 C LEU B 163 17.990 14.384 35.760 1.00 0.00 C ATOM 1689 O LEU B 163 18.533 15.364 36.266 1.00 0.00 O ATOM 1690 CB LEU B 163 15.496 13.976 35.535 1.00 0.00 C ATOM 1691 CG LEU B 163 15.191 14.549 36.929 1.00 0.00 C ATOM 1692 CD1 LEU B 163 14.986 16.069 36.901 1.00 0.00 C ATOM 1693 CD2 LEU B 163 13.927 13.874 37.475 1.00 0.00 C ATOM 0 H LEU B 163 16.229 13.286 33.314 1.00 0.00 H new ATOM 0 HA LEU B 163 16.596 15.631 34.746 1.00 0.00 H new ATOM 0 HB2 LEU B 163 14.641 14.158 34.884 1.00 0.00 H new ATOM 0 HB3 LEU B 163 15.610 12.895 35.616 1.00 0.00 H new ATOM 0 HG LEU B 163 16.049 14.348 37.571 1.00 0.00 H new ATOM 0 HD11 LEU B 163 14.773 16.426 37.909 1.00 0.00 H new ATOM 0 HD12 LEU B 163 15.890 16.551 36.528 1.00 0.00 H new ATOM 0 HD13 LEU B 163 14.149 16.311 36.246 1.00 0.00 H new ATOM 0 HD21 LEU B 163 13.700 14.272 38.464 1.00 0.00 H new ATOM 0 HD22 LEU B 163 13.091 14.071 36.804 1.00 0.00 H new ATOM 0 HD23 LEU B 163 14.090 12.799 37.546 1.00 0.00 H new ATOM 1705 N GLN B 164 18.444 13.140 35.935 1.00 0.00 N ATOM 1706 CA GLN B 164 19.640 12.820 36.700 1.00 0.00 C ATOM 1707 C GLN B 164 20.830 13.639 36.193 1.00 0.00 C ATOM 1708 O GLN B 164 21.541 14.254 36.988 1.00 0.00 O ATOM 1709 CB GLN B 164 19.907 11.310 36.617 1.00 0.00 C ATOM 1710 CG GLN B 164 21.160 10.881 37.393 1.00 0.00 C ATOM 1711 CD GLN B 164 21.401 9.378 37.284 1.00 0.00 C ATOM 1712 OE1 GLN B 164 21.450 8.675 38.286 1.00 0.00 O ATOM 1713 NE2 GLN B 164 21.558 8.868 36.064 1.00 0.00 N ATOM 0 H GLN B 164 17.981 12.320 35.542 1.00 0.00 H new ATOM 0 HA GLN B 164 19.491 13.083 37.747 1.00 0.00 H new ATOM 0 HB2 GLN B 164 19.043 10.772 37.006 1.00 0.00 H new ATOM 0 HB3 GLN B 164 20.017 11.023 35.571 1.00 0.00 H new ATOM 0 HG2 GLN B 164 22.028 11.418 37.010 1.00 0.00 H new ATOM 0 HG3 GLN B 164 21.052 11.158 38.442 1.00 0.00 H new ATOM 0 HE21 GLN B 164 21.512 9.477 35.247 1.00 0.00 H new ATOM 0 HE22 GLN B 164 21.724 7.868 35.947 1.00 0.00 H new ATOM 1722 N VAL B 165 21.057 13.641 34.877 1.00 0.00 N ATOM 1723 CA VAL B 165 22.161 14.376 34.278 1.00 0.00 C ATOM 1724 C VAL B 165 22.072 15.867 34.631 1.00 0.00 C ATOM 1725 O VAL B 165 23.013 16.405 35.215 1.00 0.00 O ATOM 1726 CB VAL B 165 22.238 14.097 32.766 1.00 0.00 C ATOM 1727 CG1 VAL B 165 23.226 15.036 32.067 1.00 0.00 C ATOM 1728 CG2 VAL B 165 22.711 12.657 32.516 1.00 0.00 C ATOM 0 H VAL B 165 20.481 13.134 34.205 1.00 0.00 H new ATOM 0 HA VAL B 165 23.104 14.025 34.697 1.00 0.00 H new ATOM 0 HB VAL B 165 21.237 14.256 32.364 1.00 0.00 H new ATOM 0 HG11 VAL B 165 23.253 14.808 31.001 1.00 0.00 H new ATOM 0 HG12 VAL B 165 22.909 16.069 32.210 1.00 0.00 H new ATOM 0 HG13 VAL B 165 24.220 14.900 32.492 1.00 0.00 H new ATOM 0 HG21 VAL B 165 22.761 12.472 31.443 1.00 0.00 H new ATOM 0 HG22 VAL B 165 23.699 12.517 32.955 1.00 0.00 H new ATOM 0 HG23 VAL B 165 22.009 11.959 32.972 1.00 0.00 H new ATOM 1738 N VAL B 166 20.965 16.547 34.306 1.00 0.00 N ATOM 1739 CA VAL B 166 20.874 17.982 34.583 1.00 0.00 C ATOM 1740 C VAL B 166 20.972 18.258 36.087 1.00 0.00 C ATOM 1741 O VAL B 166 21.682 19.171 36.505 1.00 0.00 O ATOM 1742 CB VAL B 166 19.651 18.653 33.928 1.00 0.00 C ATOM 1743 CG1 VAL B 166 19.677 18.457 32.408 1.00 0.00 C ATOM 1744 CG2 VAL B 166 18.305 18.178 34.481 1.00 0.00 C ATOM 0 H VAL B 166 20.142 16.139 33.863 1.00 0.00 H new ATOM 0 HA VAL B 166 21.735 18.452 34.109 1.00 0.00 H new ATOM 0 HB VAL B 166 19.734 19.711 34.177 1.00 0.00 H new ATOM 0 HG11 VAL B 166 18.805 18.938 31.964 1.00 0.00 H new ATOM 0 HG12 VAL B 166 20.584 18.902 31.999 1.00 0.00 H new ATOM 0 HG13 VAL B 166 19.660 17.392 32.178 1.00 0.00 H new ATOM 0 HG21 VAL B 166 17.497 18.698 33.967 1.00 0.00 H new ATOM 0 HG22 VAL B 166 18.205 17.104 34.321 1.00 0.00 H new ATOM 0 HG23 VAL B 166 18.254 18.393 35.548 1.00 0.00 H new ATOM 1754 N ARG B 167 20.299 17.447 36.908 1.00 0.00 N ATOM 1755 CA ARG B 167 20.390 17.536 38.358 1.00 0.00 C ATOM 1756 C ARG B 167 21.859 17.483 38.788 1.00 0.00 C ATOM 1757 O ARG B 167 22.302 18.328 39.559 1.00 0.00 O ATOM 1758 CB ARG B 167 19.563 16.416 39.003 1.00 0.00 C ATOM 1759 CG ARG B 167 19.503 16.536 40.534 1.00 0.00 C ATOM 1760 CD ARG B 167 19.786 15.188 41.209 1.00 0.00 C ATOM 1761 NE ARG B 167 21.146 14.703 40.925 1.00 0.00 N ATOM 1762 CZ ARG B 167 22.271 15.156 41.497 1.00 0.00 C ATOM 1763 NH1 ARG B 167 22.240 16.167 42.369 1.00 0.00 N ATOM 1764 NH2 ARG B 167 23.447 14.613 41.174 1.00 0.00 N ATOM 0 H ARG B 167 19.675 16.710 36.579 1.00 0.00 H new ATOM 0 HA ARG B 167 19.978 18.486 38.698 1.00 0.00 H new ATOM 0 HB2 ARG B 167 18.550 16.438 38.600 1.00 0.00 H new ATOM 0 HB3 ARG B 167 19.992 15.451 38.734 1.00 0.00 H new ATOM 0 HG2 ARG B 167 20.230 17.274 40.872 1.00 0.00 H new ATOM 0 HG3 ARG B 167 18.519 16.897 40.835 1.00 0.00 H new ATOM 0 HD2 ARG B 167 19.654 15.288 42.286 1.00 0.00 H new ATOM 0 HD3 ARG B 167 19.060 14.451 40.866 1.00 0.00 H new ATOM 0 HE ARG B 167 21.241 13.959 40.234 1.00 0.00 H new ATOM 0 HH11 ARG B 167 21.351 16.607 42.609 1.00 0.00 H new ATOM 0 HH12 ARG B 167 23.105 16.500 42.795 1.00 0.00 H new ATOM 0 HH21 ARG B 167 23.489 13.855 40.493 1.00 0.00 H new ATOM 0 HH22 ARG B 167 24.304 14.956 41.608 1.00 0.00 H new ATOM 1778 N SER B 168 22.622 16.523 38.262 1.00 0.00 N ATOM 1779 CA SER B 168 24.041 16.400 38.562 1.00 0.00 C ATOM 1780 C SER B 168 24.841 17.601 38.058 1.00 0.00 C ATOM 1781 O SER B 168 25.719 18.086 38.764 1.00 0.00 O ATOM 1782 CB SER B 168 24.584 15.071 38.029 1.00 0.00 C ATOM 1783 OG SER B 168 23.811 13.994 38.532 1.00 0.00 O ATOM 0 H SER B 168 22.271 15.814 37.619 1.00 0.00 H new ATOM 0 HA SER B 168 24.160 16.397 39.646 1.00 0.00 H new ATOM 0 HB2 SER B 168 24.559 15.069 36.939 1.00 0.00 H new ATOM 0 HB3 SER B 168 25.626 14.950 38.324 1.00 0.00 H new ATOM 0 HG SER B 168 22.944 13.972 38.075 1.00 0.00 H new ATOM 1789 N LEU B 169 24.543 18.089 36.852 1.00 0.00 N ATOM 1790 CA LEU B 169 25.195 19.271 36.302 1.00 0.00 C ATOM 1791 C LEU B 169 25.002 20.461 37.247 1.00 0.00 C ATOM 1792 O LEU B 169 25.963 21.153 37.574 1.00 0.00 O ATOM 1793 CB LEU B 169 24.662 19.530 34.881 1.00 0.00 C ATOM 1794 CG LEU B 169 25.305 20.685 34.088 1.00 0.00 C ATOM 1795 CD1 LEU B 169 24.741 22.064 34.458 1.00 0.00 C ATOM 1796 CD2 LEU B 169 26.835 20.690 34.175 1.00 0.00 C ATOM 0 H LEU B 169 23.845 17.675 36.234 1.00 0.00 H new ATOM 0 HA LEU B 169 26.270 19.114 36.219 1.00 0.00 H new ATOM 0 HB2 LEU B 169 24.783 18.614 34.302 1.00 0.00 H new ATOM 0 HB3 LEU B 169 23.592 19.723 34.951 1.00 0.00 H new ATOM 0 HG LEU B 169 25.032 20.491 33.051 1.00 0.00 H new ATOM 0 HD11 LEU B 169 25.237 22.831 33.863 1.00 0.00 H new ATOM 0 HD12 LEU B 169 23.670 22.085 34.257 1.00 0.00 H new ATOM 0 HD13 LEU B 169 24.915 22.256 35.517 1.00 0.00 H new ATOM 0 HD21 LEU B 169 27.230 21.526 33.597 1.00 0.00 H new ATOM 0 HD22 LEU B 169 27.140 20.793 35.216 1.00 0.00 H new ATOM 0 HD23 LEU B 169 27.225 19.755 33.774 1.00 0.00 H new ATOM 1808 N VAL B 170 23.764 20.706 37.684 1.00 0.00 N ATOM 1809 CA VAL B 170 23.467 21.828 38.568 1.00 0.00 C ATOM 1810 C VAL B 170 24.035 21.586 39.976 1.00 0.00 C ATOM 1811 O VAL B 170 24.554 22.515 40.592 1.00 0.00 O ATOM 1812 CB VAL B 170 21.954 22.118 38.574 1.00 0.00 C ATOM 1813 CG1 VAL B 170 21.610 23.305 39.486 1.00 0.00 C ATOM 1814 CG2 VAL B 170 21.463 22.477 37.163 1.00 0.00 C ATOM 0 H VAL B 170 22.952 20.139 37.438 1.00 0.00 H new ATOM 0 HA VAL B 170 23.962 22.722 38.188 1.00 0.00 H new ATOM 0 HB VAL B 170 21.469 21.212 38.938 1.00 0.00 H new ATOM 0 HG11 VAL B 170 20.534 23.480 39.465 1.00 0.00 H new ATOM 0 HG12 VAL B 170 21.922 23.082 40.506 1.00 0.00 H new ATOM 0 HG13 VAL B 170 22.130 24.196 39.135 1.00 0.00 H new ATOM 0 HG21 VAL B 170 20.392 22.678 37.191 1.00 0.00 H new ATOM 0 HG22 VAL B 170 21.989 23.363 36.809 1.00 0.00 H new ATOM 0 HG23 VAL B 170 21.659 21.645 36.487 1.00 0.00 H new ATOM 1824 N LYS B 171 23.905 20.363 40.503 1.00 0.00 N ATOM 1825 CA LYS B 171 24.335 19.985 41.845 1.00 0.00 C ATOM 1826 C LYS B 171 25.188 18.712 41.801 1.00 0.00 C ATOM 1827 O LYS B 171 24.600 17.613 41.931 1.00 0.00 O ATOM 1828 CB LYS B 171 23.110 19.806 42.758 1.00 0.00 C ATOM 1829 CG LYS B 171 22.284 21.093 42.864 1.00 0.00 C ATOM 1830 CD LYS B 171 21.210 20.952 43.952 1.00 0.00 C ATOM 1831 CE LYS B 171 20.420 22.253 44.142 1.00 0.00 C ATOM 1832 NZ LYS B 171 19.682 22.637 42.925 1.00 0.00 N ATOM 1833 OXT LYS B 171 26.424 18.860 41.688 1.00 0.00 O ATOM 0 H LYS B 171 23.485 19.589 39.988 1.00 0.00 H new ATOM 0 HA LYS B 171 24.955 20.782 42.256 1.00 0.00 H new ATOM 0 HB2 LYS B 171 22.483 19.003 42.371 1.00 0.00 H new ATOM 0 HB3 LYS B 171 23.439 19.503 43.752 1.00 0.00 H new ATOM 0 HG2 LYS B 171 22.938 21.934 43.096 1.00 0.00 H new ATOM 0 HG3 LYS B 171 21.813 21.310 41.905 1.00 0.00 H new ATOM 0 HD2 LYS B 171 20.526 20.146 43.686 1.00 0.00 H new ATOM 0 HD3 LYS B 171 21.681 20.672 44.894 1.00 0.00 H new ATOM 0 HE2 LYS B 171 19.719 22.133 44.968 1.00 0.00 H new ATOM 0 HE3 LYS B 171 21.104 23.055 44.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 171 19.071 23.452 43.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 171 20.357 22.892 42.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 171 19.097 21.838 42.607 1.00 0.00 H new