USER MOD reduce.3.24.130724 H: found=0, std=0, add=1178, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1226 hydrogens (52 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 147 SER OG : rot 130:sc= 0.133 USER MOD Set 1.2: A 149 HIS : no HD1:sc= -0.492 X(o=-0.36,f=-0.028) USER MOD Set 2.1: A 97 CYS SG : rot 95:sc= 2.41 USER MOD Set 2.2: A 99 CYS SG : rot -32:sc= 0.677 USER MOD Set 2.3: A 101 SER OG : rot 141:sc= 0.901 USER MOD Set 2.4: A 145 CYS SG : rot -107:sc= 2.05 USER MOD Set 3.1: A 80 GLN : amide:sc= -1.01 X(o=-2,f=-2.3!) USER MOD Set 3.2: A 174 SER OG : rot 180:sc= -0.979 USER MOD Set 4.1: A 73 GLN : amide:sc= -1.2 K(o=-1.7,f=-7.2!) USER MOD Set 4.2: A 76 THR OG1 : rot -5:sc= -0.5! USER MOD Set 5.1: A 40 THR OG1 : rot 124:sc= 1.05 USER MOD Set 5.2: A 41 GLN : amide:sc= -0.155 K(o=-4.3,f=-12!) USER MOD Set 5.3: A 62 LYS NZ :NH3+ 168:sc= -5.22! (180deg=-5.52!) USER MOD Set 6.1: A 37 SER OG : rot -54:sc= 1.04 USER MOD Set 6.2: A 42 SER OG : rot -63:sc= 0.637 USER MOD Single : A 22 THR OG1 : rot -38:sc= 0.521 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.41) USER MOD Single : A 28 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.8!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 83:sc= 0.41 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -86:sc= 0.677 USER MOD Single : A 49 ASN : amide:sc= -3.71! C(o=-3.7!,f=-8.6!) USER MOD Single : A 52 CYS SG : rot -28:sc= -0.257 USER MOD Single : A 54 THR OG1 : rot 177:sc= -0.148 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -6.97! C(o=-7!,f=-10!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.277 USER MOD Single : A 63 THR OG1 : rot -157:sc= 1.35 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0.417 (180deg=0.416) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 157:sc= -3.86 (180deg=-5.12!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 138:sc= -0.783 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 120:sc= -0.917 USER MOD Single : A 110 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.271 USER MOD Single : A 128 SER OG : rot -150:sc= 0.074 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -130:sc= -0.0253 USER MOD Single : A 139 SER OG : rot -110:sc= -1.98 USER MOD Single : A 159 CYS SG : rot 27:sc= -2.15! USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ -109:sc=-0.00284 (180deg=-0.149) USER MOD Single : A 175 MET CE :methyl -164:sc= -3.56 (180deg=-4.35!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 93:sc= 0.534 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 89.057 1.599 7.521 1.00 0.00 N ATOM 2 CA THR A 22 89.268 2.046 6.115 1.00 0.00 C ATOM 3 C THR A 22 88.876 3.519 5.965 1.00 0.00 C ATOM 4 O THR A 22 88.204 3.897 5.023 1.00 0.00 O ATOM 5 CB THR A 22 88.351 1.157 5.274 1.00 0.00 C ATOM 6 OG1 THR A 22 87.063 1.111 5.870 1.00 0.00 O ATOM 7 CG2 THR A 22 88.933 -0.255 5.201 1.00 0.00 C ATOM 0 HA THR A 22 90.310 1.962 5.806 1.00 0.00 H new ATOM 0 HB THR A 22 88.271 1.566 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 22 87.155 1.082 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 22 88.279 -0.888 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 22 89.921 -0.218 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 22 89.015 -0.667 6.207 1.00 0.00 H new ATOM 15 N GLY A 23 89.293 4.349 6.886 1.00 0.00 N ATOM 16 CA GLY A 23 88.949 5.800 6.805 1.00 0.00 C ATOM 17 C GLY A 23 90.213 6.644 6.987 1.00 0.00 C ATOM 18 O GLY A 23 90.151 7.777 7.430 1.00 0.00 O ATOM 0 H GLY A 23 89.858 4.084 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 88.489 6.021 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 88.218 6.053 7.573 1.00 0.00 H new ATOM 22 N ARG A 24 91.357 6.106 6.644 1.00 0.00 N ATOM 23 CA ARG A 24 92.628 6.877 6.793 1.00 0.00 C ATOM 24 C ARG A 24 93.574 6.563 5.629 1.00 0.00 C ATOM 25 O ARG A 24 94.737 6.263 5.825 1.00 0.00 O ATOM 26 CB ARG A 24 93.225 6.415 8.128 1.00 0.00 C ATOM 27 CG ARG A 24 93.489 4.905 8.092 1.00 0.00 C ATOM 28 CD ARG A 24 93.846 4.417 9.497 1.00 0.00 C ATOM 29 NE ARG A 24 94.373 3.031 9.300 1.00 0.00 N ATOM 30 CZ ARG A 24 93.563 1.993 9.230 1.00 0.00 C ATOM 31 NH1 ARG A 24 92.261 2.144 9.131 1.00 0.00 N ATOM 32 NH2 ARG A 24 94.065 0.789 9.255 1.00 0.00 N ATOM 0 H ARG A 24 91.465 5.165 6.267 1.00 0.00 H new ATOM 0 HA ARG A 24 92.464 7.954 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 24 94.154 6.950 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 92.542 6.653 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 24 92.607 4.379 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 24 94.302 4.683 7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 24 94.593 5.061 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 24 92.973 4.419 10.150 1.00 0.00 H new ATOM 0 HE ARG A 24 95.379 2.886 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 24 91.857 3.080 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 24 91.655 1.325 9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 24 95.074 0.659 9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 24 93.448 -0.022 9.202 1.00 0.00 H new ATOM 46 N ASP A 25 93.077 6.628 4.419 1.00 0.00 N ATOM 47 CA ASP A 25 93.937 6.332 3.231 1.00 0.00 C ATOM 48 C ASP A 25 94.979 7.439 3.023 1.00 0.00 C ATOM 49 O ASP A 25 95.977 7.239 2.360 1.00 0.00 O ATOM 50 CB ASP A 25 92.973 6.280 2.043 1.00 0.00 C ATOM 51 CG ASP A 25 92.074 5.048 2.165 1.00 0.00 C ATOM 52 OD1 ASP A 25 90.873 5.226 2.283 1.00 0.00 O ATOM 53 OD2 ASP A 25 92.602 3.951 2.136 1.00 0.00 O ATOM 0 H ASP A 25 92.111 6.874 4.202 1.00 0.00 H new ATOM 0 HA ASP A 25 94.490 5.401 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 92.366 7.185 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 25 93.533 6.243 1.109 1.00 0.00 H new ATOM 58 N LYS A 26 94.752 8.610 3.579 1.00 0.00 N ATOM 59 CA LYS A 26 95.726 9.742 3.408 1.00 0.00 C ATOM 60 C LYS A 26 95.976 10.003 1.916 1.00 0.00 C ATOM 61 O LYS A 26 97.057 10.378 1.511 1.00 0.00 O ATOM 62 CB LYS A 26 97.018 9.287 4.107 1.00 0.00 C ATOM 63 CG LYS A 26 97.492 10.375 5.076 1.00 0.00 C ATOM 64 CD LYS A 26 98.665 9.847 5.903 1.00 0.00 C ATOM 65 CE LYS A 26 98.144 8.870 6.961 1.00 0.00 C ATOM 66 NZ LYS A 26 99.223 8.801 7.984 1.00 0.00 N ATOM 0 H LYS A 26 93.933 8.831 4.145 1.00 0.00 H new ATOM 0 HA LYS A 26 95.350 10.672 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 26 96.842 8.357 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 26 97.792 9.084 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 26 97.795 11.263 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 26 96.675 10.672 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 26 99.385 9.348 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 26 99.188 10.675 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 26 97.209 9.221 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 97.946 7.889 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 98.940 8.150 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 100.099 8.457 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 99.385 9.748 8.382 1.00 0.00 H new ATOM 80 N ASN A 27 94.968 9.800 1.101 1.00 0.00 N ATOM 81 CA ASN A 27 95.106 10.024 -0.375 1.00 0.00 C ATOM 82 C ASN A 27 96.273 9.210 -0.953 1.00 0.00 C ATOM 83 O ASN A 27 96.775 9.514 -2.018 1.00 0.00 O ATOM 84 CB ASN A 27 95.368 11.525 -0.542 1.00 0.00 C ATOM 85 CG ASN A 27 95.069 11.938 -1.985 1.00 0.00 C ATOM 86 OD1 ASN A 27 93.964 12.334 -2.299 1.00 0.00 O ATOM 87 ND2 ASN A 27 96.014 11.862 -2.881 1.00 0.00 N ATOM 0 H ASN A 27 94.045 9.485 1.399 1.00 0.00 H new ATOM 0 HA ASN A 27 94.211 9.704 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 27 94.743 12.093 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 27 96.405 11.754 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 27 95.825 12.135 -3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 27 96.941 11.530 -2.617 1.00 0.00 H new ATOM 94 N GLN A 28 96.700 8.173 -0.267 1.00 0.00 N ATOM 95 CA GLN A 28 97.831 7.324 -0.776 1.00 0.00 C ATOM 96 C GLN A 28 99.019 8.188 -1.231 1.00 0.00 C ATOM 97 O GLN A 28 99.145 8.510 -2.398 1.00 0.00 O ATOM 98 CB GLN A 28 97.243 6.558 -1.961 1.00 0.00 C ATOM 99 CG GLN A 28 98.128 5.350 -2.279 1.00 0.00 C ATOM 100 CD GLN A 28 97.423 4.444 -3.291 1.00 0.00 C ATOM 101 OE1 GLN A 28 96.219 4.509 -3.451 1.00 0.00 O ATOM 102 NE2 GLN A 28 98.127 3.595 -3.987 1.00 0.00 N ATOM 0 H GLN A 28 96.312 7.876 0.628 1.00 0.00 H new ATOM 0 HA GLN A 28 98.217 6.662 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 28 96.230 6.229 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 28 97.174 7.211 -2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 28 99.085 5.684 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 28 98.342 4.794 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 28 99.137 3.540 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 28 97.668 2.986 -4.665 1.00 0.00 H new ATOM 111 N VAL A 29 99.880 8.564 -0.321 1.00 0.00 N ATOM 112 CA VAL A 29 101.054 9.408 -0.699 1.00 0.00 C ATOM 113 C VAL A 29 102.364 8.671 -0.400 1.00 0.00 C ATOM 114 O VAL A 29 102.436 7.852 0.496 1.00 0.00 O ATOM 115 CB VAL A 29 100.935 10.676 0.156 1.00 0.00 C ATOM 116 CG1 VAL A 29 99.642 11.410 -0.203 1.00 0.00 C ATOM 117 CG2 VAL A 29 100.912 10.308 1.646 1.00 0.00 C ATOM 0 H VAL A 29 99.821 8.323 0.668 1.00 0.00 H new ATOM 0 HA VAL A 29 101.063 9.640 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 29 101.793 11.319 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 29 99.555 12.312 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 29 99.659 11.683 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 29 98.789 10.760 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 29 100.827 11.216 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 29 100.059 9.660 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 29 101.833 9.787 1.906 1.00 0.00 H new ATOM 127 N GLU A 30 103.397 8.960 -1.150 1.00 0.00 N ATOM 128 CA GLU A 30 104.710 8.283 -0.924 1.00 0.00 C ATOM 129 C GLU A 30 105.856 9.288 -1.077 1.00 0.00 C ATOM 130 O GLU A 30 105.700 10.332 -1.684 1.00 0.00 O ATOM 131 CB GLU A 30 104.794 7.193 -1.999 1.00 0.00 C ATOM 132 CG GLU A 30 104.697 7.820 -3.394 1.00 0.00 C ATOM 133 CD GLU A 30 104.780 6.723 -4.455 1.00 0.00 C ATOM 134 OE1 GLU A 30 103.930 6.706 -5.330 1.00 0.00 O ATOM 135 OE2 GLU A 30 105.694 5.918 -4.377 1.00 0.00 O ATOM 0 H GLU A 30 103.387 9.638 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 30 104.790 7.864 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.732 6.647 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 30 103.989 6.471 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.759 8.367 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 30 105.503 8.540 -3.537 1.00 0.00 H new ATOM 142 N GLY A 31 107.005 8.978 -0.533 1.00 0.00 N ATOM 143 CA GLY A 31 108.167 9.908 -0.642 1.00 0.00 C ATOM 144 C GLY A 31 109.433 9.106 -0.947 1.00 0.00 C ATOM 145 O GLY A 31 109.375 7.924 -1.229 1.00 0.00 O ATOM 0 H GLY A 31 107.188 8.118 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 31 107.988 10.640 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 108.290 10.464 0.287 1.00 0.00 H new ATOM 149 N GLU A 32 110.576 9.743 -0.894 1.00 0.00 N ATOM 150 CA GLU A 32 111.857 9.022 -1.184 1.00 0.00 C ATOM 151 C GLU A 32 112.042 7.848 -0.214 1.00 0.00 C ATOM 152 O GLU A 32 112.482 6.781 -0.597 1.00 0.00 O ATOM 153 CB GLU A 32 112.967 10.068 -0.996 1.00 0.00 C ATOM 154 CG GLU A 32 112.957 10.606 0.440 1.00 0.00 C ATOM 155 CD GLU A 32 113.970 11.745 0.565 1.00 0.00 C ATOM 156 OE1 GLU A 32 115.149 11.453 0.678 1.00 0.00 O ATOM 157 OE2 GLU A 32 113.551 12.890 0.544 1.00 0.00 O ATOM 0 H GLU A 32 110.679 10.731 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 32 111.870 8.601 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.937 9.622 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.825 10.888 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 32 111.960 10.962 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 32 113.203 9.808 1.140 1.00 0.00 H new ATOM 164 N VAL A 33 111.701 8.040 1.035 1.00 0.00 N ATOM 165 CA VAL A 33 111.848 6.943 2.038 1.00 0.00 C ATOM 166 C VAL A 33 110.633 6.927 2.972 1.00 0.00 C ATOM 167 O VAL A 33 110.137 7.961 3.376 1.00 0.00 O ATOM 168 CB VAL A 33 113.130 7.276 2.810 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.365 6.231 3.905 1.00 0.00 C ATOM 170 CG2 VAL A 33 114.319 7.267 1.846 1.00 0.00 C ATOM 0 H VAL A 33 111.325 8.913 1.404 1.00 0.00 H new ATOM 0 HA VAL A 33 111.906 5.958 1.576 1.00 0.00 H new ATOM 0 HB VAL A 33 113.028 8.261 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.277 6.474 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.520 6.230 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.464 5.245 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 33 115.232 7.504 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.413 6.280 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.160 8.011 1.065 1.00 0.00 H new ATOM 180 N GLN A 34 110.154 5.757 3.316 1.00 0.00 N ATOM 181 CA GLN A 34 108.970 5.664 4.223 1.00 0.00 C ATOM 182 C GLN A 34 109.224 4.624 5.320 1.00 0.00 C ATOM 183 O GLN A 34 109.962 3.675 5.129 1.00 0.00 O ATOM 184 CB GLN A 34 107.805 5.236 3.323 1.00 0.00 C ATOM 185 CG GLN A 34 108.124 3.896 2.651 1.00 0.00 C ATOM 186 CD GLN A 34 106.955 3.480 1.756 1.00 0.00 C ATOM 187 OE1 GLN A 34 106.046 2.808 2.200 1.00 0.00 O ATOM 188 NE2 GLN A 34 106.940 3.855 0.506 1.00 0.00 N ATOM 0 H GLN A 34 110.533 4.862 3.007 1.00 0.00 H new ATOM 0 HA GLN A 34 108.761 6.608 4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 34 106.893 5.148 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 34 107.622 5.998 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 34 109.035 3.982 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 34 108.306 3.132 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 34 107.704 4.419 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.165 3.584 -0.099 1.00 0.00 H new ATOM 197 N VAL A 35 108.615 4.800 6.465 1.00 0.00 N ATOM 198 CA VAL A 35 108.812 3.831 7.586 1.00 0.00 C ATOM 199 C VAL A 35 107.708 2.766 7.562 1.00 0.00 C ATOM 200 O VAL A 35 106.538 3.075 7.690 1.00 0.00 O ATOM 201 CB VAL A 35 108.719 4.677 8.861 1.00 0.00 C ATOM 202 CG1 VAL A 35 108.877 3.781 10.094 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.830 5.730 8.858 1.00 0.00 C ATOM 0 H VAL A 35 107.987 5.576 6.673 1.00 0.00 H new ATOM 0 HA VAL A 35 109.763 3.303 7.517 1.00 0.00 H new ATOM 0 HB VAL A 35 107.746 5.168 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 108.810 4.389 10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 108.086 3.031 10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.847 3.285 10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.764 6.331 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.800 5.235 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 35 109.718 6.374 7.986 1.00 0.00 H new ATOM 213 N VAL A 36 108.073 1.518 7.411 1.00 0.00 N ATOM 214 CA VAL A 36 107.047 0.431 7.391 1.00 0.00 C ATOM 215 C VAL A 36 107.501 -0.730 8.287 1.00 0.00 C ATOM 216 O VAL A 36 108.616 -1.204 8.184 1.00 0.00 O ATOM 217 CB VAL A 36 106.946 -0.003 5.923 1.00 0.00 C ATOM 218 CG1 VAL A 36 108.305 -0.503 5.426 1.00 0.00 C ATOM 219 CG2 VAL A 36 105.912 -1.127 5.790 1.00 0.00 C ATOM 0 H VAL A 36 109.037 1.205 7.301 1.00 0.00 H new ATOM 0 HA VAL A 36 106.080 0.760 7.771 1.00 0.00 H new ATOM 0 HB VAL A 36 106.639 0.853 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 36 108.221 -0.808 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 109.041 0.297 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 36 108.622 -1.354 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 105.841 -1.435 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.219 -1.977 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 36 104.940 -0.769 6.130 1.00 0.00 H new ATOM 229 N SER A 37 106.640 -1.183 9.164 1.00 0.00 N ATOM 230 CA SER A 37 107.013 -2.307 10.076 1.00 0.00 C ATOM 231 C SER A 37 106.122 -3.525 9.811 1.00 0.00 C ATOM 232 O SER A 37 105.016 -3.400 9.322 1.00 0.00 O ATOM 233 CB SER A 37 106.776 -1.769 11.486 1.00 0.00 C ATOM 234 OG SER A 37 107.624 -0.650 11.709 1.00 0.00 O ATOM 0 H SER A 37 105.694 -0.822 9.288 1.00 0.00 H new ATOM 0 HA SER A 37 108.044 -2.630 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.732 -1.479 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.978 -2.546 12.223 1.00 0.00 H new ATOM 0 HG SER A 37 108.554 -0.903 11.530 1.00 0.00 H new ATOM 240 N THR A 38 106.604 -4.699 10.131 1.00 0.00 N ATOM 241 CA THR A 38 105.795 -5.935 9.902 1.00 0.00 C ATOM 242 C THR A 38 105.479 -6.610 11.234 1.00 0.00 C ATOM 243 O THR A 38 105.833 -6.118 12.289 1.00 0.00 O ATOM 244 CB THR A 38 106.666 -6.844 9.024 1.00 0.00 C ATOM 245 OG1 THR A 38 107.472 -6.054 8.158 1.00 0.00 O ATOM 246 CG2 THR A 38 105.773 -7.759 8.185 1.00 0.00 C ATOM 0 H THR A 38 107.524 -4.855 10.542 1.00 0.00 H new ATOM 0 HA THR A 38 104.841 -5.715 9.422 1.00 0.00 H new ATOM 0 HB THR A 38 107.308 -7.447 9.666 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.271 -5.753 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.394 -8.403 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.160 -8.373 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.127 -7.154 7.549 1.00 0.00 H new ATOM 254 N ALA A 39 104.797 -7.723 11.189 1.00 0.00 N ATOM 255 CA ALA A 39 104.430 -8.428 12.451 1.00 0.00 C ATOM 256 C ALA A 39 105.649 -9.112 13.082 1.00 0.00 C ATOM 257 O ALA A 39 105.685 -9.341 14.277 1.00 0.00 O ATOM 258 CB ALA A 39 103.387 -9.469 12.041 1.00 0.00 C ATOM 0 H ALA A 39 104.478 -8.175 10.332 1.00 0.00 H new ATOM 0 HA ALA A 39 104.048 -7.733 13.198 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.068 -10.030 12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.527 -8.967 11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 39 103.822 -10.153 11.313 1.00 0.00 H new ATOM 264 N THR A 40 106.640 -9.451 12.293 1.00 0.00 N ATOM 265 CA THR A 40 107.847 -10.135 12.859 1.00 0.00 C ATOM 266 C THR A 40 109.114 -9.302 12.631 1.00 0.00 C ATOM 267 O THR A 40 110.058 -9.380 13.396 1.00 0.00 O ATOM 268 CB THR A 40 107.939 -11.466 12.109 1.00 0.00 C ATOM 269 OG1 THR A 40 107.647 -11.259 10.731 1.00 0.00 O ATOM 270 CG2 THR A 40 106.941 -12.461 12.706 1.00 0.00 C ATOM 0 H THR A 40 106.666 -9.285 11.287 1.00 0.00 H new ATOM 0 HA THR A 40 107.761 -10.273 13.937 1.00 0.00 H new ATOM 0 HB THR A 40 108.948 -11.867 12.206 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.396 -11.579 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.008 -13.408 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.173 -12.622 13.759 1.00 0.00 H new ATOM 0 HG23 THR A 40 105.931 -12.063 12.614 1.00 0.00 H new ATOM 278 N GLN A 41 109.145 -8.511 11.590 1.00 0.00 N ATOM 279 CA GLN A 41 110.355 -7.674 11.314 1.00 0.00 C ATOM 280 C GLN A 41 109.940 -6.287 10.819 1.00 0.00 C ATOM 281 O GLN A 41 108.779 -6.037 10.563 1.00 0.00 O ATOM 282 CB GLN A 41 111.132 -8.426 10.225 1.00 0.00 C ATOM 283 CG GLN A 41 110.246 -8.625 8.984 1.00 0.00 C ATOM 284 CD GLN A 41 109.839 -10.097 8.863 1.00 0.00 C ATOM 285 OE1 GLN A 41 109.925 -10.846 9.817 1.00 0.00 O ATOM 286 NE2 GLN A 41 109.397 -10.546 7.720 1.00 0.00 N ATOM 0 H GLN A 41 108.385 -8.407 10.918 1.00 0.00 H new ATOM 0 HA GLN A 41 110.959 -7.524 12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 41 112.028 -7.867 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.462 -9.393 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 41 109.357 -7.998 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.784 -8.313 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 41 109.324 -9.918 6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 41 109.124 -11.524 7.628 1.00 0.00 H new ATOM 295 N SER A 42 110.878 -5.385 10.689 1.00 0.00 N ATOM 296 CA SER A 42 110.535 -4.012 10.213 1.00 0.00 C ATOM 297 C SER A 42 111.640 -3.463 9.305 1.00 0.00 C ATOM 298 O SER A 42 112.772 -3.296 9.721 1.00 0.00 O ATOM 299 CB SER A 42 110.423 -3.171 11.483 1.00 0.00 C ATOM 300 OG SER A 42 110.090 -1.834 11.133 1.00 0.00 O ATOM 0 H SER A 42 111.866 -5.540 10.892 1.00 0.00 H new ATOM 0 HA SER A 42 109.615 -4.001 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 42 109.661 -3.587 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.365 -3.192 12.031 1.00 0.00 H new ATOM 0 HG SER A 42 110.812 -1.447 10.595 1.00 0.00 H new ATOM 306 N PHE A 43 111.312 -3.167 8.073 1.00 0.00 N ATOM 307 CA PHE A 43 112.331 -2.608 7.129 1.00 0.00 C ATOM 308 C PHE A 43 111.790 -1.329 6.484 1.00 0.00 C ATOM 309 O PHE A 43 110.670 -0.926 6.734 1.00 0.00 O ATOM 310 CB PHE A 43 112.609 -3.682 6.054 1.00 0.00 C ATOM 311 CG PHE A 43 111.340 -4.375 5.603 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.774 -5.387 6.391 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.742 -4.018 4.391 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.615 -6.039 5.968 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.579 -4.670 3.970 1.00 0.00 C ATOM 316 CZ PHE A 43 109.017 -5.682 4.759 1.00 0.00 C ATOM 0 H PHE A 43 110.380 -3.288 7.678 1.00 0.00 H new ATOM 0 HA PHE A 43 113.252 -2.356 7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.094 -3.218 5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.304 -4.421 6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 43 111.236 -5.663 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.177 -3.240 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 43 109.181 -6.819 6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.113 -4.393 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 43 108.120 -6.186 4.431 1.00 0.00 H new ATOM 326 N LEU A 44 112.581 -0.686 5.662 1.00 0.00 N ATOM 327 CA LEU A 44 112.118 0.573 5.001 1.00 0.00 C ATOM 328 C LEU A 44 112.040 0.372 3.485 1.00 0.00 C ATOM 329 O LEU A 44 112.642 -0.534 2.940 1.00 0.00 O ATOM 330 CB LEU A 44 113.175 1.632 5.350 1.00 0.00 C ATOM 331 CG LEU A 44 113.343 1.759 6.873 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.301 2.909 7.180 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.998 2.064 7.536 1.00 0.00 C ATOM 0 H LEU A 44 113.528 -0.978 5.420 1.00 0.00 H new ATOM 0 HA LEU A 44 111.125 0.871 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.129 1.363 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.883 2.595 4.931 1.00 0.00 H new ATOM 0 HG LEU A 44 113.734 0.818 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.423 3.003 8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.269 2.708 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.895 3.838 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.135 2.151 8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.603 3.001 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.296 1.258 7.323 1.00 0.00 H new ATOM 345 N ALA A 45 111.300 1.209 2.800 1.00 0.00 N ATOM 346 CA ALA A 45 111.178 1.066 1.317 1.00 0.00 C ATOM 347 C ALA A 45 111.454 2.405 0.624 1.00 0.00 C ATOM 348 O ALA A 45 111.266 3.461 1.198 1.00 0.00 O ATOM 349 CB ALA A 45 109.734 0.627 1.078 1.00 0.00 C ATOM 0 H ALA A 45 110.775 1.985 3.204 1.00 0.00 H new ATOM 0 HA ALA A 45 111.895 0.350 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.565 0.500 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.552 -0.318 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.054 1.386 1.466 1.00 0.00 H new ATOM 355 N THR A 46 111.897 2.362 -0.608 1.00 0.00 N ATOM 356 CA THR A 46 112.187 3.625 -1.353 1.00 0.00 C ATOM 357 C THR A 46 111.530 3.583 -2.736 1.00 0.00 C ATOM 358 O THR A 46 111.462 2.542 -3.364 1.00 0.00 O ATOM 359 CB THR A 46 113.710 3.666 -1.485 1.00 0.00 C ATOM 360 OG1 THR A 46 114.155 2.506 -2.172 1.00 0.00 O ATOM 361 CG2 THR A 46 114.344 3.712 -0.095 1.00 0.00 C ATOM 0 H THR A 46 112.071 1.504 -1.131 1.00 0.00 H new ATOM 0 HA THR A 46 111.799 4.506 -0.842 1.00 0.00 H new ATOM 0 HB THR A 46 114.002 4.555 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 115.131 2.531 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.429 3.741 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.002 4.603 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.053 2.825 0.467 1.00 0.00 H new ATOM 369 N CYS A 47 111.048 4.704 -3.214 1.00 0.00 N ATOM 370 CA CYS A 47 110.392 4.724 -4.561 1.00 0.00 C ATOM 371 C CYS A 47 111.406 5.113 -5.650 1.00 0.00 C ATOM 372 O CYS A 47 112.011 6.168 -5.606 1.00 0.00 O ATOM 373 CB CYS A 47 109.251 5.752 -4.459 1.00 0.00 C ATOM 374 SG CYS A 47 109.894 7.404 -4.074 1.00 0.00 S ATOM 0 H CYS A 47 111.079 5.603 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 47 110.007 3.743 -4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.700 5.783 -5.399 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.547 5.443 -3.686 1.00 0.00 H new ATOM 0 HG CYS A 47 110.014 7.534 -2.786 1.00 0.00 H new ATOM 380 N VAL A 48 111.598 4.256 -6.623 1.00 0.00 N ATOM 381 CA VAL A 48 112.573 4.560 -7.715 1.00 0.00 C ATOM 382 C VAL A 48 111.927 4.332 -9.088 1.00 0.00 C ATOM 383 O VAL A 48 111.241 3.355 -9.302 1.00 0.00 O ATOM 384 CB VAL A 48 113.740 3.591 -7.496 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.817 3.828 -8.558 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.345 3.822 -6.108 1.00 0.00 C ATOM 0 H VAL A 48 111.121 3.358 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 48 112.902 5.599 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 48 113.372 2.568 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.644 3.137 -8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.393 3.664 -9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.181 4.853 -8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.175 3.132 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.707 4.848 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.584 3.651 -5.346 1.00 0.00 H new ATOM 396 N ASN A 49 112.154 5.239 -10.008 1.00 0.00 N ATOM 397 CA ASN A 49 111.589 5.131 -11.398 1.00 0.00 C ATOM 398 C ASN A 49 110.111 4.690 -11.405 1.00 0.00 C ATOM 399 O ASN A 49 109.669 4.004 -12.306 1.00 0.00 O ATOM 400 CB ASN A 49 112.496 4.130 -12.147 1.00 0.00 C ATOM 401 CG ASN A 49 112.233 2.686 -11.698 1.00 0.00 C ATOM 402 OD1 ASN A 49 112.876 2.193 -10.794 1.00 0.00 O ATOM 403 ND2 ASN A 49 111.308 1.988 -12.298 1.00 0.00 N ATOM 0 H ASN A 49 112.722 6.072 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 49 111.584 6.104 -11.889 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.325 4.215 -13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 49 113.542 4.382 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 49 111.125 1.028 -12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 49 110.768 2.403 -13.057 1.00 0.00 H new ATOM 410 N GLY A 50 109.346 5.102 -10.423 1.00 0.00 N ATOM 411 CA GLY A 50 107.896 4.731 -10.389 1.00 0.00 C ATOM 412 C GLY A 50 107.677 3.409 -9.640 1.00 0.00 C ATOM 413 O GLY A 50 106.598 3.157 -9.135 1.00 0.00 O ATOM 0 H GLY A 50 109.663 5.679 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.326 5.524 -9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.517 4.642 -11.407 1.00 0.00 H new ATOM 417 N VAL A 51 108.674 2.562 -9.568 1.00 0.00 N ATOM 418 CA VAL A 51 108.502 1.259 -8.855 1.00 0.00 C ATOM 419 C VAL A 51 109.264 1.282 -7.527 1.00 0.00 C ATOM 420 O VAL A 51 110.431 1.621 -7.477 1.00 0.00 O ATOM 421 CB VAL A 51 109.087 0.204 -9.801 1.00 0.00 C ATOM 422 CG1 VAL A 51 108.965 -1.185 -9.169 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.316 0.222 -11.125 1.00 0.00 C ATOM 0 H VAL A 51 109.598 2.716 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 51 107.459 1.051 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 51 110.138 0.430 -9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.382 -1.931 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.511 -1.205 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.914 -1.410 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.731 -0.528 -11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.266 -0.001 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.402 1.208 -11.583 1.00 0.00 H new ATOM 433 N CYS A 52 108.607 0.921 -6.454 1.00 0.00 N ATOM 434 CA CYS A 52 109.285 0.916 -5.122 1.00 0.00 C ATOM 435 C CYS A 52 110.083 -0.378 -4.947 1.00 0.00 C ATOM 436 O CYS A 52 109.583 -1.461 -5.191 1.00 0.00 O ATOM 437 CB CYS A 52 108.150 0.994 -4.099 1.00 0.00 C ATOM 438 SG CYS A 52 108.680 1.977 -2.674 1.00 0.00 S ATOM 0 H CYS A 52 107.630 0.629 -6.443 1.00 0.00 H new ATOM 0 HA CYS A 52 109.988 1.741 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.267 1.443 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.868 -0.008 -3.777 1.00 0.00 H new ATOM 0 HG CYS A 52 109.971 1.893 -2.545 1.00 0.00 H new ATOM 444 N TRP A 53 111.320 -0.273 -4.534 1.00 0.00 N ATOM 445 CA TRP A 53 112.158 -1.496 -4.352 1.00 0.00 C ATOM 446 C TRP A 53 112.568 -1.659 -2.886 1.00 0.00 C ATOM 447 O TRP A 53 112.936 -0.709 -2.223 1.00 0.00 O ATOM 448 CB TRP A 53 113.389 -1.261 -5.227 1.00 0.00 C ATOM 449 CG TRP A 53 112.978 -1.193 -6.662 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.596 -0.069 -7.307 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.903 -2.272 -7.639 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.294 -0.387 -8.619 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.468 -1.733 -8.872 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.169 -3.650 -7.575 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.303 -2.534 -10.003 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.004 -4.460 -8.711 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.573 -3.903 -9.922 1.00 0.00 C ATOM 0 H TRP A 53 111.786 0.607 -4.315 1.00 0.00 H new ATOM 0 HA TRP A 53 111.621 -2.404 -4.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.883 -0.334 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.110 -2.066 -5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.536 0.917 -6.870 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.981 0.290 -9.315 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.502 -4.089 -6.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 111.969 -2.099 -10.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.211 -5.518 -8.650 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.449 -4.531 -10.792 1.00 0.00 H new ATOM 468 N THR A 54 112.512 -2.866 -2.386 1.00 0.00 N ATOM 469 CA THR A 54 112.902 -3.124 -0.969 1.00 0.00 C ATOM 470 C THR A 54 113.757 -4.394 -0.890 1.00 0.00 C ATOM 471 O THR A 54 114.038 -5.025 -1.891 1.00 0.00 O ATOM 472 CB THR A 54 111.580 -3.298 -0.208 1.00 0.00 C ATOM 473 OG1 THR A 54 111.860 -3.524 1.167 1.00 0.00 O ATOM 474 CG2 THR A 54 110.799 -4.488 -0.771 1.00 0.00 C ATOM 0 H THR A 54 112.210 -3.691 -2.904 1.00 0.00 H new ATOM 0 HA THR A 54 113.497 -2.315 -0.545 1.00 0.00 H new ATOM 0 HB THR A 54 110.979 -2.396 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 54 111.019 -3.585 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.863 -4.601 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.583 -4.316 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.393 -5.396 -0.666 1.00 0.00 H new ATOM 482 N VAL A 55 114.167 -4.770 0.293 1.00 0.00 N ATOM 483 CA VAL A 55 115.003 -6.001 0.447 1.00 0.00 C ATOM 484 C VAL A 55 114.097 -7.242 0.420 1.00 0.00 C ATOM 485 O VAL A 55 112.999 -7.233 0.944 1.00 0.00 O ATOM 486 CB VAL A 55 115.702 -5.807 1.810 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.263 -7.125 2.366 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.863 -4.827 1.635 1.00 0.00 C ATOM 0 H VAL A 55 113.959 -4.278 1.162 1.00 0.00 H new ATOM 0 HA VAL A 55 115.731 -6.149 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 55 114.960 -5.428 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.745 -6.939 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.450 -7.838 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.992 -7.534 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.364 -4.682 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.572 -5.228 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.481 -3.871 1.277 1.00 0.00 H new ATOM 498 N TYR A 56 114.558 -8.306 -0.193 1.00 0.00 N ATOM 499 CA TYR A 56 113.738 -9.553 -0.266 1.00 0.00 C ATOM 500 C TYR A 56 113.925 -10.407 1.000 1.00 0.00 C ATOM 501 O TYR A 56 112.976 -10.967 1.516 1.00 0.00 O ATOM 502 CB TYR A 56 114.269 -10.284 -1.520 1.00 0.00 C ATOM 503 CG TYR A 56 113.812 -11.731 -1.540 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.700 -12.112 -2.293 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.501 -12.683 -0.780 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.276 -13.448 -2.285 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.084 -14.013 -0.774 1.00 0.00 C ATOM 508 CZ TYR A 56 112.968 -14.398 -1.526 1.00 0.00 C ATOM 509 OH TYR A 56 112.550 -15.713 -1.518 1.00 0.00 O ATOM 0 H TYR A 56 115.470 -8.363 -0.647 1.00 0.00 H new ATOM 0 HA TYR A 56 112.669 -9.349 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.918 -9.775 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.358 -10.243 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.167 -11.379 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.359 -12.386 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.415 -13.744 -2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.621 -14.745 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 56 113.141 -16.241 -0.941 1.00 0.00 H new ATOM 519 N HIS A 57 115.140 -10.543 1.480 1.00 0.00 N ATOM 520 CA HIS A 57 115.374 -11.402 2.684 1.00 0.00 C ATOM 521 C HIS A 57 114.500 -10.951 3.866 1.00 0.00 C ATOM 522 O HIS A 57 114.236 -11.716 4.775 1.00 0.00 O ATOM 523 CB HIS A 57 116.888 -11.317 2.974 1.00 0.00 C ATOM 524 CG HIS A 57 117.289 -10.026 3.647 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.354 -9.249 3.171 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.841 -9.390 4.785 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.512 -8.210 4.014 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.619 -8.268 4.989 1.00 0.00 N ATOM 0 H HIS A 57 115.973 -10.100 1.093 1.00 0.00 H new ATOM 0 HA HIS A 57 115.086 -12.439 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.179 -12.156 3.607 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.438 -11.418 2.038 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.910 -9.436 2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.022 -9.714 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.261 -7.439 3.909 1.00 0.00 H new ATOM 536 N GLY A 58 114.026 -9.727 3.846 1.00 0.00 N ATOM 537 CA GLY A 58 113.147 -9.244 4.951 1.00 0.00 C ATOM 538 C GLY A 58 111.772 -9.898 4.794 1.00 0.00 C ATOM 539 O GLY A 58 111.345 -10.675 5.629 1.00 0.00 O ATOM 0 H GLY A 58 114.212 -9.044 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.580 -9.498 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.057 -8.158 4.917 1.00 0.00 H new ATOM 543 N ALA A 59 111.085 -9.602 3.717 1.00 0.00 N ATOM 544 CA ALA A 59 109.743 -10.213 3.481 1.00 0.00 C ATOM 545 C ALA A 59 109.909 -11.550 2.747 1.00 0.00 C ATOM 546 O ALA A 59 109.591 -12.600 3.271 1.00 0.00 O ATOM 547 CB ALA A 59 109.002 -9.204 2.604 1.00 0.00 C ATOM 0 H ALA A 59 111.399 -8.960 2.989 1.00 0.00 H new ATOM 0 HA ALA A 59 109.203 -10.418 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.002 -9.579 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 59 108.925 -8.252 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.549 -9.061 1.672 1.00 0.00 H new ATOM 553 N GLY A 60 110.425 -11.512 1.544 1.00 0.00 N ATOM 554 CA GLY A 60 110.644 -12.770 0.768 1.00 0.00 C ATOM 555 C GLY A 60 109.324 -13.521 0.561 1.00 0.00 C ATOM 556 O GLY A 60 108.568 -13.229 -0.345 1.00 0.00 O ATOM 0 H GLY A 60 110.706 -10.657 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.088 -12.533 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 60 111.352 -13.409 1.296 1.00 0.00 H new ATOM 560 N SER A 61 109.057 -14.506 1.385 1.00 0.00 N ATOM 561 CA SER A 61 107.799 -15.314 1.238 1.00 0.00 C ATOM 562 C SER A 61 106.560 -14.415 1.097 1.00 0.00 C ATOM 563 O SER A 61 106.034 -14.245 0.013 1.00 0.00 O ATOM 564 CB SER A 61 107.710 -16.148 2.518 1.00 0.00 C ATOM 565 OG SER A 61 107.954 -15.313 3.642 1.00 0.00 O ATOM 0 H SER A 61 109.659 -14.789 2.159 1.00 0.00 H new ATOM 0 HA SER A 61 107.828 -15.930 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 61 106.725 -16.607 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 108.438 -16.959 2.488 1.00 0.00 H new ATOM 0 HG SER A 61 107.896 -15.845 4.463 1.00 0.00 H new ATOM 571 N LYS A 62 106.092 -13.848 2.180 1.00 0.00 N ATOM 572 CA LYS A 62 104.884 -12.970 2.103 1.00 0.00 C ATOM 573 C LYS A 62 105.205 -11.686 1.329 1.00 0.00 C ATOM 574 O LYS A 62 106.346 -11.420 0.996 1.00 0.00 O ATOM 575 CB LYS A 62 104.503 -12.670 3.558 1.00 0.00 C ATOM 576 CG LYS A 62 105.620 -11.885 4.242 1.00 0.00 C ATOM 577 CD LYS A 62 105.579 -12.146 5.749 1.00 0.00 C ATOM 578 CE LYS A 62 106.809 -11.523 6.411 1.00 0.00 C ATOM 579 NZ LYS A 62 106.418 -10.114 6.688 1.00 0.00 N ATOM 0 H LYS A 62 106.493 -13.954 3.112 1.00 0.00 H new ATOM 0 HA LYS A 62 104.060 -13.448 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 62 103.575 -12.099 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 62 104.322 -13.602 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 62 106.588 -12.181 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 62 105.504 -10.819 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.670 -11.723 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.554 -13.218 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 107.073 -12.048 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 62 107.678 -11.571 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 107.120 -9.676 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 106.376 -9.583 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 105.484 -10.096 7.145 1.00 0.00 H new ATOM 593 N THR A 63 104.205 -10.898 1.038 1.00 0.00 N ATOM 594 CA THR A 63 104.434 -9.630 0.281 1.00 0.00 C ATOM 595 C THR A 63 104.125 -8.422 1.167 1.00 0.00 C ATOM 596 O THR A 63 103.516 -8.550 2.212 1.00 0.00 O ATOM 597 CB THR A 63 103.461 -9.689 -0.901 1.00 0.00 C ATOM 598 OG1 THR A 63 102.131 -9.781 -0.410 1.00 0.00 O ATOM 599 CG2 THR A 63 103.771 -10.911 -1.767 1.00 0.00 C ATOM 0 H THR A 63 103.234 -11.078 1.293 1.00 0.00 H new ATOM 0 HA THR A 63 105.468 -9.528 -0.047 1.00 0.00 H new ATOM 0 HB THR A 63 103.569 -8.787 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 63 101.555 -10.177 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 63 103.076 -10.948 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 63 104.791 -10.841 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 63 103.667 -11.816 -1.169 1.00 0.00 H new ATOM 607 N LEU A 64 104.540 -7.250 0.757 1.00 0.00 N ATOM 608 CA LEU A 64 104.273 -6.028 1.572 1.00 0.00 C ATOM 609 C LEU A 64 103.958 -4.838 0.662 1.00 0.00 C ATOM 610 O LEU A 64 104.718 -4.516 -0.227 1.00 0.00 O ATOM 611 CB LEU A 64 105.568 -5.777 2.346 1.00 0.00 C ATOM 612 CG LEU A 64 105.388 -4.566 3.273 1.00 0.00 C ATOM 613 CD1 LEU A 64 105.102 -5.051 4.697 1.00 0.00 C ATOM 614 CD2 LEU A 64 106.662 -3.711 3.267 1.00 0.00 C ATOM 0 H LEU A 64 105.053 -7.087 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 64 103.417 -6.156 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 64 105.831 -6.659 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 64 106.389 -5.598 1.652 1.00 0.00 H new ATOM 0 HG LEU A 64 104.552 -3.963 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 64 104.974 -4.192 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 64 104.191 -5.650 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 64 105.937 -5.657 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 64 106.528 -2.854 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 64 107.503 -4.309 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 64 106.861 -3.362 2.254 1.00 0.00 H new ATOM 626 N ALA A 65 102.851 -4.176 0.885 1.00 0.00 N ATOM 627 CA ALA A 65 102.498 -2.999 0.037 1.00 0.00 C ATOM 628 C ALA A 65 101.745 -1.957 0.863 1.00 0.00 C ATOM 629 O ALA A 65 100.605 -2.156 1.237 1.00 0.00 O ATOM 630 CB ALA A 65 101.597 -3.559 -1.060 1.00 0.00 C ATOM 0 H ALA A 65 102.177 -4.400 1.617 1.00 0.00 H new ATOM 0 HA ALA A 65 103.381 -2.505 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.293 -2.753 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 65 102.141 -4.315 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 65 100.713 -4.010 -0.610 1.00 0.00 H new ATOM 636 N GLY A 66 102.375 -0.843 1.143 1.00 0.00 N ATOM 637 CA GLY A 66 101.706 0.228 1.942 1.00 0.00 C ATOM 638 C GLY A 66 101.249 -0.330 3.302 1.00 0.00 C ATOM 639 O GLY A 66 101.303 -1.523 3.527 1.00 0.00 O ATOM 0 H GLY A 66 103.329 -0.629 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.393 1.061 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 66 100.848 0.618 1.394 1.00 0.00 H new ATOM 643 N PRO A 67 100.807 0.551 4.175 1.00 0.00 N ATOM 644 CA PRO A 67 100.335 0.114 5.516 1.00 0.00 C ATOM 645 C PRO A 67 98.975 -0.607 5.431 1.00 0.00 C ATOM 646 O PRO A 67 98.469 -1.089 6.426 1.00 0.00 O ATOM 647 CB PRO A 67 100.192 1.418 6.288 1.00 0.00 C ATOM 648 CG PRO A 67 99.958 2.445 5.239 1.00 0.00 C ATOM 649 CD PRO A 67 100.712 2.008 4.017 1.00 0.00 C ATOM 0 HA PRO A 67 101.019 -0.595 5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.362 1.374 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 67 101.089 1.638 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.894 2.538 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 67 100.302 3.423 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 67 100.185 2.279 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 67 101.697 2.471 3.966 1.00 0.00 H new ATOM 657 N LYS A 68 98.374 -0.674 4.263 1.00 0.00 N ATOM 658 CA LYS A 68 97.043 -1.352 4.138 1.00 0.00 C ATOM 659 C LYS A 68 97.175 -2.868 4.328 1.00 0.00 C ATOM 660 O LYS A 68 96.270 -3.511 4.826 1.00 0.00 O ATOM 661 CB LYS A 68 96.564 -1.036 2.720 1.00 0.00 C ATOM 662 CG LYS A 68 96.099 0.420 2.649 1.00 0.00 C ATOM 663 CD LYS A 68 94.854 0.601 3.519 1.00 0.00 C ATOM 664 CE LYS A 68 94.046 1.800 3.017 1.00 0.00 C ATOM 665 NZ LYS A 68 92.625 1.354 3.063 1.00 0.00 N ATOM 0 H LYS A 68 98.747 -0.290 3.395 1.00 0.00 H new ATOM 0 HA LYS A 68 96.344 -1.004 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 68 97.370 -1.206 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 68 95.748 -1.703 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 68 96.894 1.084 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 95.877 0.692 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 68 94.243 -0.301 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 68 95.144 0.755 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.206 2.675 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 68 94.340 2.078 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.010 2.118 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.505 0.514 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.367 1.119 4.043 1.00 0.00 H new ATOM 679 N GLY A 69 98.287 -3.442 3.939 1.00 0.00 N ATOM 680 CA GLY A 69 98.462 -4.918 4.108 1.00 0.00 C ATOM 681 C GLY A 69 99.230 -5.504 2.911 1.00 0.00 C ATOM 682 O GLY A 69 99.659 -4.774 2.040 1.00 0.00 O ATOM 0 H GLY A 69 99.077 -2.956 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 69 99.003 -5.124 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 69 97.488 -5.399 4.195 1.00 0.00 H new ATOM 686 N PRO A 70 99.388 -6.815 2.908 1.00 0.00 N ATOM 687 CA PRO A 70 100.120 -7.490 1.805 1.00 0.00 C ATOM 688 C PRO A 70 99.247 -7.602 0.550 1.00 0.00 C ATOM 689 O PRO A 70 98.038 -7.490 0.609 1.00 0.00 O ATOM 690 CB PRO A 70 100.419 -8.876 2.368 1.00 0.00 C ATOM 691 CG PRO A 70 99.362 -9.121 3.399 1.00 0.00 C ATOM 692 CD PRO A 70 98.911 -7.780 3.917 1.00 0.00 C ATOM 0 HA PRO A 70 101.015 -6.945 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 70 100.388 -9.634 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 70 101.415 -8.915 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.523 -9.666 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 70 99.754 -9.733 4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 70 97.827 -7.740 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 70 99.336 -7.570 4.899 1.00 0.00 H new ATOM 700 N ILE A 71 99.860 -7.835 -0.584 1.00 0.00 N ATOM 701 CA ILE A 71 99.088 -7.969 -1.859 1.00 0.00 C ATOM 702 C ILE A 71 99.818 -8.934 -2.806 1.00 0.00 C ATOM 703 O ILE A 71 100.610 -9.751 -2.377 1.00 0.00 O ATOM 704 CB ILE A 71 99.033 -6.552 -2.451 1.00 0.00 C ATOM 705 CG1 ILE A 71 100.454 -6.041 -2.708 1.00 0.00 C ATOM 706 CG2 ILE A 71 98.326 -5.611 -1.474 1.00 0.00 C ATOM 707 CD1 ILE A 71 100.393 -4.748 -3.522 1.00 0.00 C ATOM 0 H ILE A 71 100.870 -7.939 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 71 98.087 -8.371 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 71 98.482 -6.581 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 71 100.964 -5.863 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 71 101.031 -6.794 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 71 98.289 -4.607 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 97.311 -5.967 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 71 98.873 -5.587 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 71 101.404 -4.385 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.899 -4.941 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 71 99.832 -3.995 -2.968 1.00 0.00 H new ATOM 719 N THR A 72 99.564 -8.841 -4.089 1.00 0.00 N ATOM 720 CA THR A 72 100.250 -9.746 -5.061 1.00 0.00 C ATOM 721 C THR A 72 101.670 -9.235 -5.340 1.00 0.00 C ATOM 722 O THR A 72 101.895 -8.046 -5.456 1.00 0.00 O ATOM 723 CB THR A 72 99.396 -9.689 -6.329 1.00 0.00 C ATOM 724 OG1 THR A 72 98.048 -10.002 -6.005 1.00 0.00 O ATOM 725 CG2 THR A 72 99.924 -10.698 -7.349 1.00 0.00 C ATOM 0 H THR A 72 98.911 -8.177 -4.504 1.00 0.00 H new ATOM 0 HA THR A 72 100.346 -10.765 -4.685 1.00 0.00 H new ATOM 0 HB THR A 72 99.445 -8.687 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 72 97.499 -9.964 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.314 -10.656 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 72 100.958 -10.457 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 72 99.877 -11.701 -6.926 1.00 0.00 H new ATOM 733 N GLN A 73 102.626 -10.126 -5.441 1.00 0.00 N ATOM 734 CA GLN A 73 104.036 -9.697 -5.707 1.00 0.00 C ATOM 735 C GLN A 73 104.347 -9.790 -7.206 1.00 0.00 C ATOM 736 O GLN A 73 103.854 -10.662 -7.897 1.00 0.00 O ATOM 737 CB GLN A 73 104.910 -10.679 -4.911 1.00 0.00 C ATOM 738 CG GLN A 73 105.851 -9.904 -3.983 1.00 0.00 C ATOM 739 CD GLN A 73 106.843 -9.098 -4.822 1.00 0.00 C ATOM 740 OE1 GLN A 73 107.312 -9.563 -5.841 1.00 0.00 O ATOM 741 NE2 GLN A 73 107.187 -7.901 -4.433 1.00 0.00 N ATOM 0 H GLN A 73 102.491 -11.133 -5.351 1.00 0.00 H new ATOM 0 HA GLN A 73 104.214 -8.663 -5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.280 -11.349 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.489 -11.300 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 73 105.277 -9.238 -3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.386 -10.594 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 73 106.793 -7.510 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 73 107.850 -7.356 -4.985 1.00 0.00 H new ATOM 750 N MET A 74 105.167 -8.899 -7.707 1.00 0.00 N ATOM 751 CA MET A 74 105.519 -8.934 -9.161 1.00 0.00 C ATOM 752 C MET A 74 107.029 -9.137 -9.347 1.00 0.00 C ATOM 753 O MET A 74 107.456 -9.854 -10.233 1.00 0.00 O ATOM 754 CB MET A 74 105.064 -7.585 -9.739 1.00 0.00 C ATOM 755 CG MET A 74 105.704 -6.424 -8.971 1.00 0.00 C ATOM 756 SD MET A 74 105.208 -4.862 -9.735 1.00 0.00 S ATOM 757 CE MET A 74 103.422 -5.072 -9.527 1.00 0.00 C ATOM 0 H MET A 74 105.607 -8.150 -7.173 1.00 0.00 H new ATOM 0 HA MET A 74 105.031 -9.764 -9.673 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.336 -7.525 -10.793 1.00 0.00 H new ATOM 0 HB3 MET A 74 103.978 -7.508 -9.686 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.392 -6.447 -7.927 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.790 -6.519 -8.982 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.937 -4.096 -9.544 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.031 -5.686 -10.338 1.00 0.00 H new ATOM 0 HE3 MET A 74 103.222 -5.561 -8.574 1.00 0.00 H new ATOM 767 N TYR A 75 107.838 -8.526 -8.516 1.00 0.00 N ATOM 768 CA TYR A 75 109.319 -8.703 -8.643 1.00 0.00 C ATOM 769 C TYR A 75 109.853 -9.477 -7.435 1.00 0.00 C ATOM 770 O TYR A 75 109.704 -9.053 -6.306 1.00 0.00 O ATOM 771 CB TYR A 75 109.902 -7.287 -8.675 1.00 0.00 C ATOM 772 CG TYR A 75 109.393 -6.542 -9.889 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.501 -7.113 -11.165 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.818 -5.274 -9.738 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.034 -6.416 -12.285 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.350 -4.578 -10.858 1.00 0.00 C ATOM 777 CZ TYR A 75 108.458 -5.150 -12.132 1.00 0.00 C ATOM 778 OH TYR A 75 107.999 -4.463 -13.238 1.00 0.00 O ATOM 0 H TYR A 75 107.538 -7.914 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 75 109.591 -9.265 -9.536 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.625 -6.751 -7.767 1.00 0.00 H new ATOM 0 HB3 TYR A 75 110.991 -7.334 -8.698 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.945 -8.091 -11.283 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.736 -4.833 -8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.118 -6.855 -13.268 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.906 -3.601 -10.740 1.00 0.00 H new ATOM 0 HH TYR A 75 107.627 -3.601 -12.957 1.00 0.00 H new ATOM 788 N THR A 76 110.465 -10.613 -7.664 1.00 0.00 N ATOM 789 CA THR A 76 111.000 -11.427 -6.528 1.00 0.00 C ATOM 790 C THR A 76 112.254 -12.196 -6.967 1.00 0.00 C ATOM 791 O THR A 76 112.255 -12.852 -7.991 1.00 0.00 O ATOM 792 CB THR A 76 109.866 -12.395 -6.184 1.00 0.00 C ATOM 793 OG1 THR A 76 108.702 -11.655 -5.841 1.00 0.00 O ATOM 794 CG2 THR A 76 110.276 -13.275 -5.005 1.00 0.00 C ATOM 0 H THR A 76 110.617 -11.012 -8.590 1.00 0.00 H new ATOM 0 HA THR A 76 111.293 -10.814 -5.675 1.00 0.00 H new ATOM 0 HB THR A 76 109.657 -13.027 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.914 -10.698 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.465 -13.962 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.168 -13.844 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.489 -12.648 -4.139 1.00 0.00 H new ATOM 802 N ASN A 77 113.323 -12.114 -6.204 1.00 0.00 N ATOM 803 CA ASN A 77 114.575 -12.840 -6.594 1.00 0.00 C ATOM 804 C ASN A 77 115.588 -12.878 -5.439 1.00 0.00 C ATOM 805 O ASN A 77 116.069 -11.851 -4.998 1.00 0.00 O ATOM 806 CB ASN A 77 115.134 -12.018 -7.754 1.00 0.00 C ATOM 807 CG ASN A 77 116.393 -12.690 -8.308 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.585 -13.879 -8.144 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.265 -11.973 -8.963 1.00 0.00 N ATOM 0 H ASN A 77 113.381 -11.581 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 77 114.377 -13.879 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.385 -11.925 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.368 -11.008 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.107 -12.410 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 77 117.104 -10.975 -9.101 1.00 0.00 H new ATOM 816 N VAL A 78 115.932 -14.056 -4.962 1.00 0.00 N ATOM 817 CA VAL A 78 116.937 -14.149 -3.855 1.00 0.00 C ATOM 818 C VAL A 78 118.335 -13.829 -4.403 1.00 0.00 C ATOM 819 O VAL A 78 119.156 -13.243 -3.723 1.00 0.00 O ATOM 820 CB VAL A 78 116.864 -15.598 -3.327 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.966 -15.849 -2.282 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.508 -15.834 -2.659 1.00 0.00 C ATOM 0 H VAL A 78 115.562 -14.948 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 78 116.732 -13.439 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 78 116.998 -16.275 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.899 -16.875 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.943 -15.688 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.838 -15.162 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.459 -16.857 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.386 -15.140 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.712 -15.673 -3.386 1.00 0.00 H new ATOM 832 N ASP A 79 118.611 -14.217 -5.626 1.00 0.00 N ATOM 833 CA ASP A 79 119.962 -13.944 -6.221 1.00 0.00 C ATOM 834 C ASP A 79 120.273 -12.446 -6.163 1.00 0.00 C ATOM 835 O ASP A 79 121.403 -12.044 -5.957 1.00 0.00 O ATOM 836 CB ASP A 79 119.867 -14.417 -7.671 1.00 0.00 C ATOM 837 CG ASP A 79 121.264 -14.435 -8.295 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.670 -15.489 -8.759 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.904 -13.397 -8.298 1.00 0.00 O ATOM 0 H ASP A 79 117.961 -14.710 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 79 120.759 -14.455 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.426 -15.413 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.212 -13.755 -8.238 1.00 0.00 H new ATOM 844 N GLN A 80 119.273 -11.622 -6.334 1.00 0.00 N ATOM 845 CA GLN A 80 119.489 -10.147 -6.279 1.00 0.00 C ATOM 846 C GLN A 80 118.918 -9.563 -4.975 1.00 0.00 C ATOM 847 O GLN A 80 119.113 -8.400 -4.679 1.00 0.00 O ATOM 848 CB GLN A 80 118.735 -9.592 -7.485 1.00 0.00 C ATOM 849 CG GLN A 80 119.335 -8.244 -7.889 1.00 0.00 C ATOM 850 CD GLN A 80 120.519 -8.472 -8.831 1.00 0.00 C ATOM 851 OE1 GLN A 80 121.515 -9.049 -8.445 1.00 0.00 O ATOM 852 NE2 GLN A 80 120.451 -8.040 -10.062 1.00 0.00 N ATOM 0 H GLN A 80 118.310 -11.910 -6.510 1.00 0.00 H new ATOM 0 HA GLN A 80 120.548 -9.889 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.795 -10.292 -8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.679 -9.474 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.579 -7.630 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.662 -7.699 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.614 -7.555 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 80 121.234 -8.188 -10.698 1.00 0.00 H new ATOM 861 N ASP A 81 118.205 -10.353 -4.197 1.00 0.00 N ATOM 862 CA ASP A 81 117.612 -9.842 -2.918 1.00 0.00 C ATOM 863 C ASP A 81 116.790 -8.577 -3.178 1.00 0.00 C ATOM 864 O ASP A 81 116.886 -7.609 -2.445 1.00 0.00 O ATOM 865 CB ASP A 81 118.798 -9.515 -2.004 1.00 0.00 C ATOM 866 CG ASP A 81 118.315 -9.407 -0.548 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.118 -9.405 -0.305 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.253 -9.306 0.459 1.00 0.00 O ATOM 0 H ASP A 81 118.009 -11.334 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 81 116.946 -10.578 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.559 -10.291 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.261 -8.578 -2.314 1.00 0.00 H new ATOM 874 N LEU A 82 116.004 -8.566 -4.224 1.00 0.00 N ATOM 875 CA LEU A 82 115.205 -7.345 -4.532 1.00 0.00 C ATOM 876 C LEU A 82 113.746 -7.684 -4.848 1.00 0.00 C ATOM 877 O LEU A 82 113.441 -8.653 -5.518 1.00 0.00 O ATOM 878 CB LEU A 82 115.887 -6.735 -5.757 1.00 0.00 C ATOM 879 CG LEU A 82 115.923 -5.213 -5.617 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.184 -4.800 -4.856 1.00 0.00 C ATOM 881 CD2 LEU A 82 115.938 -4.578 -7.006 1.00 0.00 C ATOM 0 H LEU A 82 115.882 -9.344 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 82 115.174 -6.664 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.900 -7.126 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.349 -7.015 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 82 115.042 -4.876 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 82 117.210 -3.715 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 82 117.177 -5.255 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.065 -5.135 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 82 115.964 -3.493 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.820 -4.915 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.041 -4.873 -7.551 1.00 0.00 H new ATOM 893 N VAL A 83 112.854 -6.858 -4.376 1.00 0.00 N ATOM 894 CA VAL A 83 111.392 -7.054 -4.633 1.00 0.00 C ATOM 895 C VAL A 83 110.742 -5.674 -4.760 1.00 0.00 C ATOM 896 O VAL A 83 111.245 -4.702 -4.230 1.00 0.00 O ATOM 897 CB VAL A 83 110.806 -7.821 -3.424 1.00 0.00 C ATOM 898 CG1 VAL A 83 111.039 -9.319 -3.606 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.456 -7.367 -2.108 1.00 0.00 C ATOM 0 H VAL A 83 113.078 -6.038 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 83 111.210 -7.618 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 83 109.738 -7.609 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.626 -9.858 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 83 110.549 -9.655 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 83 112.109 -9.515 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.023 -7.924 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.529 -7.553 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 83 111.277 -6.302 -1.963 1.00 0.00 H new ATOM 909 N GLY A 84 109.646 -5.572 -5.466 1.00 0.00 N ATOM 910 CA GLY A 84 108.990 -4.242 -5.628 1.00 0.00 C ATOM 911 C GLY A 84 107.550 -4.415 -6.108 1.00 0.00 C ATOM 912 O GLY A 84 107.129 -5.498 -6.472 1.00 0.00 O ATOM 0 H GLY A 84 109.179 -6.348 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.002 -3.705 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.549 -3.638 -6.343 1.00 0.00 H new ATOM 916 N TRP A 85 106.798 -3.345 -6.111 1.00 0.00 N ATOM 917 CA TRP A 85 105.373 -3.416 -6.564 1.00 0.00 C ATOM 918 C TRP A 85 105.073 -2.212 -7.462 1.00 0.00 C ATOM 919 O TRP A 85 105.847 -1.272 -7.525 1.00 0.00 O ATOM 920 CB TRP A 85 104.486 -3.355 -5.299 1.00 0.00 C ATOM 921 CG TRP A 85 105.142 -4.032 -4.127 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.877 -5.285 -3.696 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.167 -3.500 -3.240 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.675 -5.556 -2.598 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.488 -4.485 -2.280 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.841 -2.269 -3.180 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.445 -4.256 -1.290 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.805 -2.034 -2.186 1.00 0.00 C ATOM 929 CH2 TRP A 85 108.106 -3.024 -1.244 1.00 0.00 C ATOM 0 H TRP A 85 107.110 -2.419 -5.818 1.00 0.00 H new ATOM 0 HA TRP A 85 105.182 -4.331 -7.124 1.00 0.00 H new ATOM 0 HB2 TRP A 85 104.279 -2.314 -5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.527 -3.830 -5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.161 -5.963 -4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.664 -6.438 -2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.617 -1.498 -3.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.673 -5.024 -0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.317 -1.084 -2.148 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.848 -2.837 -0.482 1.00 0.00 H new ATOM 940 N GLN A 86 103.959 -2.230 -8.147 1.00 0.00 N ATOM 941 CA GLN A 86 103.605 -1.081 -9.035 1.00 0.00 C ATOM 942 C GLN A 86 103.053 0.080 -8.205 1.00 0.00 C ATOM 943 O GLN A 86 102.077 -0.063 -7.493 1.00 0.00 O ATOM 944 CB GLN A 86 102.533 -1.619 -9.983 1.00 0.00 C ATOM 945 CG GLN A 86 103.200 -2.196 -11.234 1.00 0.00 C ATOM 946 CD GLN A 86 103.462 -1.073 -12.237 1.00 0.00 C ATOM 947 OE1 GLN A 86 102.572 -0.665 -12.958 1.00 0.00 O ATOM 948 NE2 GLN A 86 104.655 -0.551 -12.317 1.00 0.00 N ATOM 0 H GLN A 86 103.279 -2.990 -8.130 1.00 0.00 H new ATOM 0 HA GLN A 86 104.471 -0.701 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.944 -2.389 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.844 -0.821 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 86 104.137 -2.685 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.560 -2.956 -11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 86 105.403 -0.892 -11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 86 104.840 0.198 -12.984 1.00 0.00 H new ATOM 957 N ALA A 87 103.672 1.230 -8.295 1.00 0.00 N ATOM 958 CA ALA A 87 103.190 2.411 -7.518 1.00 0.00 C ATOM 959 C ALA A 87 102.138 3.183 -8.329 1.00 0.00 C ATOM 960 O ALA A 87 101.900 2.867 -9.478 1.00 0.00 O ATOM 961 CB ALA A 87 104.434 3.270 -7.294 1.00 0.00 C ATOM 0 H ALA A 87 104.493 1.402 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 87 102.719 2.125 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.164 4.161 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.176 2.698 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.851 3.565 -8.257 1.00 0.00 H new ATOM 967 N PRO A 88 101.535 4.177 -7.711 1.00 0.00 N ATOM 968 CA PRO A 88 100.504 4.978 -8.415 1.00 0.00 C ATOM 969 C PRO A 88 101.160 5.887 -9.470 1.00 0.00 C ATOM 970 O PRO A 88 102.233 6.409 -9.239 1.00 0.00 O ATOM 971 CB PRO A 88 99.865 5.806 -7.303 1.00 0.00 C ATOM 972 CG PRO A 88 100.911 5.897 -6.239 1.00 0.00 C ATOM 973 CD PRO A 88 101.744 4.646 -6.330 1.00 0.00 C ATOM 0 HA PRO A 88 99.778 4.366 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.580 6.795 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.960 5.330 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.530 6.783 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.452 5.984 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.796 4.852 -6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 88 101.424 3.900 -5.603 1.00 0.00 H new ATOM 981 N PRO A 89 100.502 6.052 -10.599 1.00 0.00 N ATOM 982 CA PRO A 89 101.062 6.912 -11.670 1.00 0.00 C ATOM 983 C PRO A 89 100.883 8.390 -11.316 1.00 0.00 C ATOM 984 O PRO A 89 99.991 8.755 -10.574 1.00 0.00 O ATOM 985 CB PRO A 89 100.234 6.544 -12.898 1.00 0.00 C ATOM 986 CG PRO A 89 98.939 6.025 -12.360 1.00 0.00 C ATOM 987 CD PRO A 89 99.204 5.473 -10.985 1.00 0.00 C ATOM 0 HA PRO A 89 102.131 6.763 -11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 89 100.074 7.411 -13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.739 5.790 -13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.196 6.822 -12.316 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.537 5.250 -13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.419 5.758 -10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.243 4.384 -10.995 1.00 0.00 H new ATOM 995 N GLY A 90 101.727 9.242 -11.843 1.00 0.00 N ATOM 996 CA GLY A 90 101.614 10.699 -11.542 1.00 0.00 C ATOM 997 C GLY A 90 102.624 11.081 -10.459 1.00 0.00 C ATOM 998 O GLY A 90 103.090 12.203 -10.404 1.00 0.00 O ATOM 0 H GLY A 90 102.491 8.989 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.796 11.282 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.603 10.934 -11.209 1.00 0.00 H new ATOM 1002 N ALA A 91 102.965 10.155 -9.598 1.00 0.00 N ATOM 1003 CA ALA A 91 103.947 10.458 -8.514 1.00 0.00 C ATOM 1004 C ALA A 91 105.362 10.554 -9.093 1.00 0.00 C ATOM 1005 O ALA A 91 105.719 9.826 -10.001 1.00 0.00 O ATOM 1006 CB ALA A 91 103.846 9.282 -7.540 1.00 0.00 C ATOM 0 H ALA A 91 102.605 9.201 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 91 103.737 11.409 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.541 9.433 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.829 9.217 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.096 8.357 -8.059 1.00 0.00 H new ATOM 1012 N ARG A 92 106.166 11.445 -8.573 1.00 0.00 N ATOM 1013 CA ARG A 92 107.561 11.595 -9.089 1.00 0.00 C ATOM 1014 C ARG A 92 108.463 10.498 -8.510 1.00 0.00 C ATOM 1015 O ARG A 92 108.148 9.894 -7.502 1.00 0.00 O ATOM 1016 CB ARG A 92 108.016 12.986 -8.623 1.00 0.00 C ATOM 1017 CG ARG A 92 108.026 13.057 -7.088 1.00 0.00 C ATOM 1018 CD ARG A 92 107.461 14.405 -6.631 1.00 0.00 C ATOM 1019 NE ARG A 92 107.938 14.567 -5.224 1.00 0.00 N ATOM 1020 CZ ARG A 92 107.272 14.051 -4.212 1.00 0.00 C ATOM 1021 NH1 ARG A 92 106.280 13.212 -4.399 1.00 0.00 N ATOM 1022 NH2 ARG A 92 107.608 14.380 -2.994 1.00 0.00 N ATOM 0 H ARG A 92 105.917 12.077 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 92 107.613 11.500 -10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 92 109.012 13.199 -9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 92 107.348 13.748 -9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 92 107.432 12.243 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 92 109.043 12.932 -6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 92 107.817 15.217 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 92 106.372 14.414 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 92 108.796 15.088 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 92 106.009 12.946 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 92 105.780 12.826 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 92 108.378 15.030 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 92 107.100 13.987 -2.201 1.00 0.00 H new ATOM 1036 N SER A 93 109.577 10.238 -9.145 1.00 0.00 N ATOM 1037 CA SER A 93 110.505 9.180 -8.640 1.00 0.00 C ATOM 1038 C SER A 93 111.909 9.757 -8.441 1.00 0.00 C ATOM 1039 O SER A 93 112.256 10.774 -9.011 1.00 0.00 O ATOM 1040 CB SER A 93 110.513 8.112 -9.733 1.00 0.00 C ATOM 1041 OG SER A 93 109.186 7.646 -9.942 1.00 0.00 O ATOM 0 H SER A 93 109.885 10.713 -9.993 1.00 0.00 H new ATOM 0 HA SER A 93 110.190 8.778 -7.677 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.916 8.524 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.161 7.284 -9.444 1.00 0.00 H new ATOM 0 HG SER A 93 109.021 7.548 -10.903 1.00 0.00 H new ATOM 1047 N LEU A 94 112.717 9.114 -7.635 1.00 0.00 N ATOM 1048 CA LEU A 94 114.104 9.621 -7.393 1.00 0.00 C ATOM 1049 C LEU A 94 114.999 9.306 -8.597 1.00 0.00 C ATOM 1050 O LEU A 94 114.831 8.300 -9.259 1.00 0.00 O ATOM 1051 CB LEU A 94 114.596 8.878 -6.139 1.00 0.00 C ATOM 1052 CG LEU A 94 115.027 9.879 -5.055 1.00 0.00 C ATOM 1053 CD1 LEU A 94 116.162 10.764 -5.580 1.00 0.00 C ATOM 1054 CD2 LEU A 94 113.836 10.759 -4.660 1.00 0.00 C ATOM 0 H LEU A 94 112.476 8.259 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 94 114.128 10.702 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 94 113.803 8.236 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.434 8.230 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 94 115.376 9.326 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 116.461 11.470 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 94 117.014 10.140 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.820 11.312 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.146 11.467 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 94 113.481 11.305 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 94 113.033 10.132 -4.273 1.00 0.00 H new ATOM 1066 N THR A 95 115.948 10.163 -8.879 1.00 0.00 N ATOM 1067 CA THR A 95 116.862 9.925 -10.037 1.00 0.00 C ATOM 1068 C THR A 95 118.109 9.151 -9.576 1.00 0.00 C ATOM 1069 O THR A 95 118.590 9.368 -8.481 1.00 0.00 O ATOM 1070 CB THR A 95 117.245 11.324 -10.526 1.00 0.00 C ATOM 1071 OG1 THR A 95 116.067 12.038 -10.878 1.00 0.00 O ATOM 1072 CG2 THR A 95 118.159 11.213 -11.747 1.00 0.00 C ATOM 0 H THR A 95 116.129 11.019 -8.355 1.00 0.00 H new ATOM 0 HA THR A 95 116.395 9.332 -10.823 1.00 0.00 H new ATOM 0 HB THR A 95 117.771 11.854 -9.732 1.00 0.00 H new ATOM 0 HG1 THR A 95 116.309 12.935 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 95 118.429 12.211 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 95 119.062 10.666 -11.477 1.00 0.00 H new ATOM 0 HG23 THR A 95 117.638 10.683 -12.544 1.00 0.00 H new ATOM 1080 N PRO A 96 118.604 8.269 -10.421 1.00 0.00 N ATOM 1081 CA PRO A 96 119.807 7.476 -10.059 1.00 0.00 C ATOM 1082 C PRO A 96 121.054 8.365 -10.065 1.00 0.00 C ATOM 1083 O PRO A 96 121.035 9.471 -10.573 1.00 0.00 O ATOM 1084 CB PRO A 96 119.890 6.418 -11.156 1.00 0.00 C ATOM 1085 CG PRO A 96 119.175 7.017 -12.323 1.00 0.00 C ATOM 1086 CD PRO A 96 118.110 7.924 -11.767 1.00 0.00 C ATOM 0 HA PRO A 96 119.746 7.041 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.926 6.186 -11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.421 5.485 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.866 7.575 -12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.733 6.239 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.980 8.813 -12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.143 7.423 -11.721 1.00 0.00 H new ATOM 1094 N CYS A 97 122.136 7.889 -9.503 1.00 0.00 N ATOM 1095 CA CYS A 97 123.391 8.702 -9.470 1.00 0.00 C ATOM 1096 C CYS A 97 123.930 8.907 -10.888 1.00 0.00 C ATOM 1097 O CYS A 97 123.907 8.007 -11.707 1.00 0.00 O ATOM 1098 CB CYS A 97 124.382 7.887 -8.635 1.00 0.00 C ATOM 1099 SG CYS A 97 125.899 8.845 -8.395 1.00 0.00 S ATOM 0 H CYS A 97 122.205 6.971 -9.065 1.00 0.00 H new ATOM 0 HA CYS A 97 123.222 9.692 -9.046 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.941 7.636 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.609 6.946 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 97 125.836 9.481 -7.263 1.00 0.00 H new ATOM 1104 N THR A 98 124.418 10.086 -11.177 1.00 0.00 N ATOM 1105 CA THR A 98 124.967 10.365 -12.538 1.00 0.00 C ATOM 1106 C THR A 98 126.308 11.096 -12.423 1.00 0.00 C ATOM 1107 O THR A 98 126.601 11.994 -13.189 1.00 0.00 O ATOM 1108 CB THR A 98 123.924 11.258 -13.210 1.00 0.00 C ATOM 1109 OG1 THR A 98 122.628 10.721 -12.983 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.197 11.319 -14.714 1.00 0.00 C ATOM 0 H THR A 98 124.460 10.870 -10.526 1.00 0.00 H new ATOM 0 HA THR A 98 125.149 9.454 -13.108 1.00 0.00 H new ATOM 0 HB THR A 98 123.980 12.263 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 98 121.957 11.293 -13.412 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.453 11.956 -15.193 1.00 0.00 H new ATOM 0 HG22 THR A 98 125.192 11.730 -14.887 1.00 0.00 H new ATOM 0 HG23 THR A 98 124.141 10.315 -15.135 1.00 0.00 H new ATOM 1118 N CYS A 99 127.115 10.723 -11.460 1.00 0.00 N ATOM 1119 CA CYS A 99 128.437 11.409 -11.282 1.00 0.00 C ATOM 1120 C CYS A 99 129.542 10.441 -10.809 1.00 0.00 C ATOM 1121 O CYS A 99 130.702 10.807 -10.769 1.00 0.00 O ATOM 1122 CB CYS A 99 128.181 12.489 -10.221 1.00 0.00 C ATOM 1123 SG CYS A 99 127.604 11.730 -8.675 1.00 0.00 S ATOM 0 H CYS A 99 126.919 9.978 -10.792 1.00 0.00 H new ATOM 0 HA CYS A 99 128.794 11.819 -12.227 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.096 13.053 -10.038 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.437 13.198 -10.586 1.00 0.00 H new ATOM 0 HG CYS A 99 126.908 10.667 -8.947 1.00 0.00 H new ATOM 1128 N GLY A 100 129.210 9.218 -10.458 1.00 0.00 N ATOM 1129 CA GLY A 100 130.258 8.248 -10.000 1.00 0.00 C ATOM 1130 C GLY A 100 131.047 8.833 -8.824 1.00 0.00 C ATOM 1131 O GLY A 100 132.234 8.600 -8.687 1.00 0.00 O ATOM 0 H GLY A 100 128.258 8.851 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 100 129.790 7.310 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 100 130.935 8.019 -10.823 1.00 0.00 H new ATOM 1135 N SER A 101 130.399 9.592 -7.976 1.00 0.00 N ATOM 1136 CA SER A 101 131.112 10.198 -6.807 1.00 0.00 C ATOM 1137 C SER A 101 131.385 9.133 -5.739 1.00 0.00 C ATOM 1138 O SER A 101 130.751 8.096 -5.709 1.00 0.00 O ATOM 1139 CB SER A 101 130.161 11.265 -6.268 1.00 0.00 C ATOM 1140 OG SER A 101 129.097 10.636 -5.566 1.00 0.00 O ATOM 0 H SER A 101 129.407 9.819 -8.042 1.00 0.00 H new ATOM 0 HA SER A 101 132.077 10.618 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 101 130.697 11.945 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.766 11.864 -7.088 1.00 0.00 H new ATOM 0 HG SER A 101 128.877 11.160 -4.768 1.00 0.00 H new ATOM 1146 N SER A 102 132.327 9.388 -4.865 1.00 0.00 N ATOM 1147 CA SER A 102 132.650 8.398 -3.793 1.00 0.00 C ATOM 1148 C SER A 102 131.905 8.750 -2.503 1.00 0.00 C ATOM 1149 O SER A 102 131.511 7.881 -1.747 1.00 0.00 O ATOM 1150 CB SER A 102 134.160 8.514 -3.588 1.00 0.00 C ATOM 1151 OG SER A 102 134.830 7.993 -4.727 1.00 0.00 O ATOM 0 H SER A 102 132.887 10.241 -4.848 1.00 0.00 H new ATOM 0 HA SER A 102 132.352 7.385 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.439 9.556 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.460 7.968 -2.694 1.00 0.00 H new ATOM 0 HG SER A 102 135.799 8.068 -4.599 1.00 0.00 H new ATOM 1157 N ASP A 103 131.709 10.019 -2.248 1.00 0.00 N ATOM 1158 CA ASP A 103 130.988 10.438 -1.007 1.00 0.00 C ATOM 1159 C ASP A 103 129.506 10.073 -1.111 1.00 0.00 C ATOM 1160 O ASP A 103 128.812 10.514 -2.009 1.00 0.00 O ATOM 1161 CB ASP A 103 131.163 11.956 -0.930 1.00 0.00 C ATOM 1162 CG ASP A 103 130.665 12.464 0.426 1.00 0.00 C ATOM 1163 OD1 ASP A 103 131.224 13.432 0.915 1.00 0.00 O ATOM 1164 OD2 ASP A 103 129.732 11.878 0.953 1.00 0.00 O ATOM 0 H ASP A 103 132.018 10.785 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 103 131.378 9.942 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.212 12.218 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.608 12.437 -1.736 1.00 0.00 H new ATOM 1169 N LEU A 104 129.019 9.270 -0.200 1.00 0.00 N ATOM 1170 CA LEU A 104 127.581 8.868 -0.240 1.00 0.00 C ATOM 1171 C LEU A 104 126.935 9.060 1.134 1.00 0.00 C ATOM 1172 O LEU A 104 127.584 8.945 2.157 1.00 0.00 O ATOM 1173 CB LEU A 104 127.594 7.386 -0.619 1.00 0.00 C ATOM 1174 CG LEU A 104 128.216 7.214 -2.005 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.544 5.738 -2.238 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.226 7.687 -3.072 1.00 0.00 C ATOM 0 H LEU A 104 129.557 8.875 0.571 1.00 0.00 H new ATOM 0 HA LEU A 104 127.008 9.468 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.161 6.817 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.578 6.991 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 104 129.130 7.805 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.987 5.615 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.249 5.398 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.630 5.148 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.670 7.564 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.313 7.096 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.990 8.738 -2.908 1.00 0.00 H new ATOM 1188 N TYR A 105 125.659 9.343 1.160 1.00 0.00 N ATOM 1189 CA TYR A 105 124.951 9.535 2.461 1.00 0.00 C ATOM 1190 C TYR A 105 123.902 8.434 2.642 1.00 0.00 C ATOM 1191 O TYR A 105 123.122 8.161 1.749 1.00 0.00 O ATOM 1192 CB TYR A 105 124.280 10.905 2.351 1.00 0.00 C ATOM 1193 CG TYR A 105 125.333 11.987 2.388 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.730 12.536 3.613 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.913 12.442 1.196 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.706 13.539 3.647 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.888 13.445 1.232 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.285 13.993 2.457 1.00 0.00 C ATOM 1199 OH TYR A 105 128.248 14.981 2.491 1.00 0.00 O ATOM 0 H TYR A 105 125.073 9.450 0.332 1.00 0.00 H new ATOM 0 HA TYR A 105 125.625 9.485 3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.710 10.969 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.574 11.042 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.283 12.186 4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.608 12.019 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.012 13.962 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.335 13.797 0.314 1.00 0.00 H new ATOM 0 HH TYR A 105 128.546 15.179 1.579 1.00 0.00 H new ATOM 1209 N LEU A 106 123.885 7.794 3.784 1.00 0.00 N ATOM 1210 CA LEU A 106 122.894 6.699 4.020 1.00 0.00 C ATOM 1211 C LEU A 106 121.869 7.119 5.080 1.00 0.00 C ATOM 1212 O LEU A 106 122.194 7.789 6.042 1.00 0.00 O ATOM 1213 CB LEU A 106 123.731 5.517 4.519 1.00 0.00 C ATOM 1214 CG LEU A 106 122.822 4.315 4.789 1.00 0.00 C ATOM 1215 CD1 LEU A 106 122.313 3.747 3.464 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.614 3.237 5.534 1.00 0.00 C ATOM 0 H LEU A 106 124.515 7.982 4.564 1.00 0.00 H new ATOM 0 HA LEU A 106 122.329 6.454 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.485 5.255 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.262 5.794 5.429 1.00 0.00 H new ATOM 0 HG LEU A 106 121.974 4.632 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 106 121.666 2.892 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 106 121.750 4.514 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 106 123.160 3.430 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 106 122.969 2.380 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 106 124.462 2.923 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 106 123.976 3.640 6.480 1.00 0.00 H new ATOM 1228 N VAL A 107 120.635 6.714 4.909 1.00 0.00 N ATOM 1229 CA VAL A 107 119.577 7.069 5.905 1.00 0.00 C ATOM 1230 C VAL A 107 119.254 5.842 6.763 1.00 0.00 C ATOM 1231 O VAL A 107 119.004 4.767 6.251 1.00 0.00 O ATOM 1232 CB VAL A 107 118.362 7.485 5.069 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.206 7.872 5.997 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.729 8.687 4.196 1.00 0.00 C ATOM 0 H VAL A 107 120.314 6.152 4.121 1.00 0.00 H new ATOM 0 HA VAL A 107 119.885 7.866 6.582 1.00 0.00 H new ATOM 0 HB VAL A 107 118.059 6.650 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.343 8.167 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.940 7.019 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.511 8.705 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.864 8.982 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 107 119.034 9.519 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.551 8.417 3.532 1.00 0.00 H new ATOM 1244 N THR A 108 119.269 5.993 8.065 1.00 0.00 N ATOM 1245 CA THR A 108 118.975 4.831 8.960 1.00 0.00 C ATOM 1246 C THR A 108 117.566 4.939 9.548 1.00 0.00 C ATOM 1247 O THR A 108 116.910 5.958 9.439 1.00 0.00 O ATOM 1248 CB THR A 108 120.024 4.912 10.072 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.901 6.158 10.743 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.425 4.789 9.471 1.00 0.00 C ATOM 0 H THR A 108 119.472 6.869 8.546 1.00 0.00 H new ATOM 0 HA THR A 108 119.016 3.884 8.421 1.00 0.00 H new ATOM 0 HB THR A 108 119.866 4.098 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.701 6.001 11.690 1.00 0.00 H new ATOM 0 HG21 THR A 108 122.168 4.847 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.518 3.832 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.589 5.600 8.761 1.00 0.00 H new ATOM 1258 N ARG A 109 117.102 3.887 10.175 1.00 0.00 N ATOM 1259 CA ARG A 109 115.735 3.905 10.787 1.00 0.00 C ATOM 1260 C ARG A 109 115.641 5.015 11.849 1.00 0.00 C ATOM 1261 O ARG A 109 114.561 5.465 12.184 1.00 0.00 O ATOM 1262 CB ARG A 109 115.564 2.505 11.414 1.00 0.00 C ATOM 1263 CG ARG A 109 114.338 2.451 12.348 1.00 0.00 C ATOM 1264 CD ARG A 109 113.076 2.908 11.605 1.00 0.00 C ATOM 1265 NE ARG A 109 112.070 3.147 12.686 1.00 0.00 N ATOM 1266 CZ ARG A 109 111.217 4.151 12.627 1.00 0.00 C ATOM 1267 NH1 ARG A 109 111.067 4.866 11.536 1.00 0.00 N ATOM 1268 NH2 ARG A 109 110.499 4.437 13.679 1.00 0.00 N ATOM 0 H ARG A 109 117.613 3.012 10.290 1.00 0.00 H new ATOM 0 HA ARG A 109 114.951 4.114 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.454 1.762 10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 109 116.462 2.244 11.974 1.00 0.00 H new ATOM 0 HG2 ARG A 109 114.201 1.435 12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 109 114.507 3.088 13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 109 113.261 3.814 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 109 112.732 2.148 10.903 1.00 0.00 H new ATOM 0 HE ARG A 109 112.043 2.518 13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 109 111.618 4.650 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 109 110.399 5.637 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 109 110.602 3.887 14.532 1.00 0.00 H new ATOM 0 HH22 ARG A 109 109.835 5.211 13.648 1.00 0.00 H new ATOM 1282 N HIS A 110 116.756 5.451 12.382 1.00 0.00 N ATOM 1283 CA HIS A 110 116.725 6.524 13.425 1.00 0.00 C ATOM 1284 C HIS A 110 116.834 7.917 12.786 1.00 0.00 C ATOM 1285 O HIS A 110 117.184 8.877 13.444 1.00 0.00 O ATOM 1286 CB HIS A 110 117.938 6.246 14.312 1.00 0.00 C ATOM 1287 CG HIS A 110 117.573 5.246 15.376 1.00 0.00 C ATOM 1288 ND1 HIS A 110 118.366 5.031 16.492 1.00 0.00 N ATOM 1289 CD2 HIS A 110 116.502 4.393 15.508 1.00 0.00 C ATOM 1290 CE1 HIS A 110 117.767 4.085 17.240 1.00 0.00 C ATOM 1291 NE2 HIS A 110 116.629 3.662 16.685 1.00 0.00 N ATOM 0 H HIS A 110 117.687 5.110 12.140 1.00 0.00 H new ATOM 0 HA HIS A 110 115.791 6.516 13.987 1.00 0.00 H new ATOM 0 HB2 HIS A 110 118.762 5.864 13.708 1.00 0.00 H new ATOM 0 HB3 HIS A 110 118.283 7.172 14.773 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.687 4.304 14.805 1.00 0.00 H new ATOM 0 HE1 HIS A 110 118.159 3.714 18.175 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.989 2.954 17.046 1.00 0.00 H new ATOM 1299 N ALA A 111 116.536 8.037 11.512 1.00 0.00 N ATOM 1300 CA ALA A 111 116.618 9.369 10.824 1.00 0.00 C ATOM 1301 C ALA A 111 117.988 10.019 11.053 1.00 0.00 C ATOM 1302 O ALA A 111 118.097 11.222 11.194 1.00 0.00 O ATOM 1303 CB ALA A 111 115.510 10.218 11.453 1.00 0.00 C ATOM 0 H ALA A 111 116.238 7.265 10.915 1.00 0.00 H new ATOM 0 HA ALA A 111 116.496 9.272 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.509 11.209 10.999 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.545 9.740 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.686 10.310 12.525 1.00 0.00 H new ATOM 1309 N ASP A 112 119.030 9.227 11.083 1.00 0.00 N ATOM 1310 CA ASP A 112 120.396 9.789 11.298 1.00 0.00 C ATOM 1311 C ASP A 112 121.141 9.884 9.963 1.00 0.00 C ATOM 1312 O ASP A 112 120.917 9.096 9.062 1.00 0.00 O ATOM 1313 CB ASP A 112 121.091 8.801 12.236 1.00 0.00 C ATOM 1314 CG ASP A 112 120.565 8.991 13.659 1.00 0.00 C ATOM 1315 OD1 ASP A 112 120.378 10.131 14.054 1.00 0.00 O ATOM 1316 OD2 ASP A 112 120.355 7.995 14.331 1.00 0.00 O ATOM 0 H ASP A 112 118.992 8.214 10.968 1.00 0.00 H new ATOM 0 HA ASP A 112 120.369 10.794 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.910 7.779 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 112 122.169 8.958 12.212 1.00 0.00 H new ATOM 1321 N VAL A 113 122.021 10.843 9.833 1.00 0.00 N ATOM 1322 CA VAL A 113 122.785 11.000 8.558 1.00 0.00 C ATOM 1323 C VAL A 113 124.254 10.622 8.776 1.00 0.00 C ATOM 1324 O VAL A 113 124.898 11.106 9.687 1.00 0.00 O ATOM 1325 CB VAL A 113 122.657 12.484 8.195 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.408 12.766 6.890 1.00 0.00 C ATOM 1327 CG2 VAL A 113 121.179 12.842 8.008 1.00 0.00 C ATOM 0 H VAL A 113 122.244 11.526 10.557 1.00 0.00 H new ATOM 0 HA VAL A 113 122.405 10.356 7.765 1.00 0.00 H new ATOM 0 HB VAL A 113 123.083 13.084 8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.314 13.822 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 113 124.461 12.515 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 113 122.984 12.161 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 113 121.090 13.897 7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 113 120.756 12.236 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 113 120.638 12.648 8.934 1.00 0.00 H new ATOM 1337 N ILE A 114 124.782 9.761 7.944 1.00 0.00 N ATOM 1338 CA ILE A 114 126.208 9.344 8.094 1.00 0.00 C ATOM 1339 C ILE A 114 126.886 9.265 6.712 1.00 0.00 C ATOM 1340 O ILE A 114 126.285 8.795 5.767 1.00 0.00 O ATOM 1341 CB ILE A 114 126.156 7.963 8.759 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.344 6.991 7.889 1.00 0.00 C ATOM 1343 CG2 ILE A 114 125.495 8.091 10.134 1.00 0.00 C ATOM 1344 CD1 ILE A 114 125.359 5.593 8.518 1.00 0.00 C ATOM 0 H ILE A 114 124.285 9.328 7.165 1.00 0.00 H new ATOM 0 HA ILE A 114 126.786 10.052 8.687 1.00 0.00 H new ATOM 0 HB ILE A 114 127.170 7.578 8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 114 124.318 7.345 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 114 125.763 6.952 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 114 125.455 7.112 10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 114 126.075 8.774 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 114 124.483 8.479 10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.782 4.908 7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 114 126.387 5.238 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 114 124.919 5.638 9.514 1.00 0.00 H new ATOM 1356 N PRO A 115 128.118 9.730 6.628 1.00 0.00 N ATOM 1357 CA PRO A 115 128.840 9.695 5.334 1.00 0.00 C ATOM 1358 C PRO A 115 129.399 8.295 5.070 1.00 0.00 C ATOM 1359 O PRO A 115 129.699 7.554 5.988 1.00 0.00 O ATOM 1360 CB PRO A 115 129.968 10.700 5.523 1.00 0.00 C ATOM 1361 CG PRO A 115 130.207 10.763 7.001 1.00 0.00 C ATOM 1362 CD PRO A 115 128.940 10.325 7.694 1.00 0.00 C ATOM 0 HA PRO A 115 128.201 9.933 4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.867 10.385 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.692 11.678 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.038 10.116 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.476 11.776 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.149 9.602 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.432 11.169 8.161 1.00 0.00 H new ATOM 1370 N VAL A 116 129.541 7.932 3.822 1.00 0.00 N ATOM 1371 CA VAL A 116 130.083 6.581 3.485 1.00 0.00 C ATOM 1372 C VAL A 116 131.083 6.693 2.328 1.00 0.00 C ATOM 1373 O VAL A 116 130.835 7.365 1.345 1.00 0.00 O ATOM 1374 CB VAL A 116 128.863 5.752 3.070 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.303 4.333 2.701 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.871 5.683 4.236 1.00 0.00 C ATOM 0 H VAL A 116 129.304 8.514 3.019 1.00 0.00 H new ATOM 0 HA VAL A 116 130.613 6.125 4.321 1.00 0.00 H new ATOM 0 HB VAL A 116 128.388 6.221 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.432 3.747 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.009 4.375 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.781 3.865 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.003 5.093 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.352 5.216 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.552 6.691 4.502 1.00 0.00 H new ATOM 1386 N ARG A 117 132.210 6.036 2.443 1.00 0.00 N ATOM 1387 CA ARG A 117 133.233 6.096 1.357 1.00 0.00 C ATOM 1388 C ARG A 117 133.024 4.941 0.374 1.00 0.00 C ATOM 1389 O ARG A 117 132.808 3.811 0.769 1.00 0.00 O ATOM 1390 CB ARG A 117 134.578 5.954 2.072 1.00 0.00 C ATOM 1391 CG ARG A 117 135.716 6.101 1.058 1.00 0.00 C ATOM 1392 CD ARG A 117 135.856 7.571 0.650 1.00 0.00 C ATOM 1393 NE ARG A 117 137.028 8.089 1.425 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.388 9.355 1.358 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.867 10.169 0.468 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.283 9.810 2.192 1.00 0.00 N ATOM 0 H ARG A 117 132.465 5.459 3.245 1.00 0.00 H new ATOM 0 HA ARG A 117 133.173 7.020 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.670 6.712 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.639 4.983 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.650 5.743 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.515 5.487 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 117 136.021 7.667 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.951 8.132 0.884 1.00 0.00 H new ATOM 0 HE ARG A 117 137.558 7.449 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.168 9.825 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 117 137.161 11.145 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 117 138.696 9.187 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.569 10.788 2.149 1.00 0.00 H new ATOM 1410 N ARG A 118 133.088 5.220 -0.903 1.00 0.00 N ATOM 1411 CA ARG A 118 132.893 4.144 -1.919 1.00 0.00 C ATOM 1412 C ARG A 118 134.191 3.354 -2.108 1.00 0.00 C ATOM 1413 O ARG A 118 135.243 3.921 -2.335 1.00 0.00 O ATOM 1414 CB ARG A 118 132.523 4.876 -3.209 1.00 0.00 C ATOM 1415 CG ARG A 118 132.064 3.860 -4.257 1.00 0.00 C ATOM 1416 CD ARG A 118 131.887 4.563 -5.605 1.00 0.00 C ATOM 1417 NE ARG A 118 131.068 3.624 -6.434 1.00 0.00 N ATOM 1418 CZ ARG A 118 130.915 3.810 -7.730 1.00 0.00 C ATOM 1419 NH1 ARG A 118 131.625 4.699 -8.384 1.00 0.00 N ATOM 1420 NH2 ARG A 118 130.039 3.092 -8.377 1.00 0.00 N ATOM 0 H ARG A 118 133.267 6.148 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 118 132.125 3.431 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.730 5.598 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.381 5.436 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 118 132.796 3.058 -4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.125 3.401 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.385 5.523 -5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.850 4.764 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 118 130.619 2.824 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.314 5.265 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 118 131.488 4.824 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 118 129.482 2.397 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 118 129.911 3.226 -9.380 1.00 0.00 H new ATOM 1434 N ARG A 119 134.119 2.051 -2.018 1.00 0.00 N ATOM 1435 CA ARG A 119 135.342 1.213 -2.194 1.00 0.00 C ATOM 1436 C ARG A 119 135.072 0.104 -3.239 1.00 0.00 C ATOM 1437 O ARG A 119 135.761 -0.897 -3.290 1.00 0.00 O ATOM 1438 CB ARG A 119 135.666 0.703 -0.752 1.00 0.00 C ATOM 1439 CG ARG A 119 135.515 -0.822 -0.572 1.00 0.00 C ATOM 1440 CD ARG A 119 136.860 -1.500 -0.849 1.00 0.00 C ATOM 1441 NE ARG A 119 136.533 -2.945 -1.051 1.00 0.00 N ATOM 1442 CZ ARG A 119 137.437 -3.885 -0.862 1.00 0.00 C ATOM 1443 NH1 ARG A 119 138.704 -3.591 -0.683 1.00 0.00 N ATOM 1444 NH2 ARG A 119 137.066 -5.136 -0.854 1.00 0.00 N ATOM 0 H ARG A 119 133.263 1.530 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 119 136.206 1.742 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 119 136.687 0.988 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 119 135.009 1.208 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.182 -1.049 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 119 134.754 -1.206 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.340 -1.077 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.549 -1.364 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 119 135.591 -3.208 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 119 139.007 -2.617 -0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 119 139.385 -4.336 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 119 136.085 -5.378 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 119 137.757 -5.872 -0.709 1.00 0.00 H new ATOM 1458 N GLY A 120 134.078 0.287 -4.076 1.00 0.00 N ATOM 1459 CA GLY A 120 133.763 -0.738 -5.114 1.00 0.00 C ATOM 1460 C GLY A 120 132.407 -0.418 -5.746 1.00 0.00 C ATOM 1461 O GLY A 120 131.686 0.444 -5.280 1.00 0.00 O ATOM 0 H GLY A 120 133.471 1.107 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.540 -0.749 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.743 -1.732 -4.666 1.00 0.00 H new ATOM 1465 N ASP A 121 132.055 -1.107 -6.804 1.00 0.00 N ATOM 1466 CA ASP A 121 130.739 -0.844 -7.471 1.00 0.00 C ATOM 1467 C ASP A 121 129.592 -1.097 -6.487 1.00 0.00 C ATOM 1468 O ASP A 121 128.715 -0.272 -6.316 1.00 0.00 O ATOM 1469 CB ASP A 121 130.672 -1.829 -8.639 1.00 0.00 C ATOM 1470 CG ASP A 121 129.410 -1.561 -9.460 1.00 0.00 C ATOM 1471 OD1 ASP A 121 128.331 -1.823 -8.955 1.00 0.00 O ATOM 1472 OD2 ASP A 121 129.543 -1.097 -10.581 1.00 0.00 O ATOM 0 H ASP A 121 132.620 -1.839 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 121 130.649 0.188 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.556 -1.725 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 121 130.665 -2.853 -8.265 1.00 0.00 H new ATOM 1477 N SER A 122 129.601 -2.232 -5.836 1.00 0.00 N ATOM 1478 CA SER A 122 128.522 -2.552 -4.853 1.00 0.00 C ATOM 1479 C SER A 122 129.094 -2.647 -3.430 1.00 0.00 C ATOM 1480 O SER A 122 128.361 -2.627 -2.460 1.00 0.00 O ATOM 1481 CB SER A 122 127.972 -3.907 -5.298 1.00 0.00 C ATOM 1482 OG SER A 122 127.463 -3.796 -6.620 1.00 0.00 O ATOM 0 H SER A 122 130.313 -2.954 -5.944 1.00 0.00 H new ATOM 0 HA SER A 122 127.751 -1.782 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.758 -4.661 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.184 -4.233 -4.619 1.00 0.00 H new ATOM 0 HG SER A 122 127.111 -4.664 -6.909 1.00 0.00 H new ATOM 1488 N ARG A 123 130.396 -2.751 -3.302 1.00 0.00 N ATOM 1489 CA ARG A 123 131.018 -2.850 -1.949 1.00 0.00 C ATOM 1490 C ARG A 123 131.473 -1.464 -1.478 1.00 0.00 C ATOM 1491 O ARG A 123 132.036 -0.698 -2.238 1.00 0.00 O ATOM 1492 CB ARG A 123 132.217 -3.774 -2.149 1.00 0.00 C ATOM 1493 CG ARG A 123 132.789 -4.175 -0.790 1.00 0.00 C ATOM 1494 CD ARG A 123 132.179 -5.510 -0.353 1.00 0.00 C ATOM 1495 NE ARG A 123 131.164 -5.154 0.683 1.00 0.00 N ATOM 1496 CZ ARG A 123 131.524 -4.695 1.864 1.00 0.00 C ATOM 1497 NH1 ARG A 123 132.777 -4.717 2.257 1.00 0.00 N ATOM 1498 NH2 ARG A 123 130.612 -4.213 2.660 1.00 0.00 N ATOM 0 H ARG A 123 131.054 -2.771 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 123 130.330 -3.228 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.915 -4.662 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.981 -3.271 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 123 133.874 -4.261 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 123 132.572 -3.404 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.718 -6.027 -1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 123 132.940 -6.177 0.053 1.00 0.00 H new ATOM 0 HE ARG A 123 130.173 -5.269 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 123 133.498 -5.096 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 123 133.029 -4.355 3.177 1.00 0.00 H new ATOM 0 HH21 ARG A 123 129.636 -4.195 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 123 130.874 -3.854 3.578 1.00 0.00 H new ATOM 1512 N GLY A 124 131.229 -1.137 -0.232 1.00 0.00 N ATOM 1513 CA GLY A 124 131.642 0.202 0.288 1.00 0.00 C ATOM 1514 C GLY A 124 132.173 0.066 1.716 1.00 0.00 C ATOM 1515 O GLY A 124 132.199 -1.012 2.279 1.00 0.00 O ATOM 0 H GLY A 124 130.762 -1.739 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.410 0.630 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.794 0.886 0.270 1.00 0.00 H new ATOM 1519 N SER A 125 132.597 1.158 2.304 1.00 0.00 N ATOM 1520 CA SER A 125 133.130 1.111 3.698 1.00 0.00 C ATOM 1521 C SER A 125 132.500 2.223 4.543 1.00 0.00 C ATOM 1522 O SER A 125 131.905 3.147 4.021 1.00 0.00 O ATOM 1523 CB SER A 125 134.634 1.334 3.556 1.00 0.00 C ATOM 1524 OG SER A 125 134.869 2.648 3.063 1.00 0.00 O ATOM 0 H SER A 125 132.596 2.083 1.875 1.00 0.00 H new ATOM 0 HA SER A 125 132.904 0.167 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.126 1.201 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.060 0.596 2.876 1.00 0.00 H new ATOM 0 HG SER A 125 135.834 2.796 2.972 1.00 0.00 H new ATOM 1530 N LEU A 126 132.626 2.138 5.843 1.00 0.00 N ATOM 1531 CA LEU A 126 132.037 3.185 6.731 1.00 0.00 C ATOM 1532 C LEU A 126 133.133 3.834 7.584 1.00 0.00 C ATOM 1533 O LEU A 126 134.010 3.164 8.094 1.00 0.00 O ATOM 1534 CB LEU A 126 131.040 2.436 7.616 1.00 0.00 C ATOM 1535 CG LEU A 126 130.316 3.426 8.529 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.378 4.299 7.694 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.501 2.654 9.569 1.00 0.00 C ATOM 0 H LEU A 126 133.113 1.385 6.329 1.00 0.00 H new ATOM 0 HA LEU A 126 131.560 3.986 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.318 1.903 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.560 1.688 8.214 1.00 0.00 H new ATOM 0 HG LEU A 126 131.047 4.058 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.862 5.005 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.957 4.847 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.646 3.668 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.984 3.358 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.770 2.023 9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.168 2.030 10.164 1.00 0.00 H new ATOM 1549 N LEU A 127 133.086 5.134 7.740 1.00 0.00 N ATOM 1550 CA LEU A 127 134.125 5.832 8.563 1.00 0.00 C ATOM 1551 C LEU A 127 133.961 5.461 10.039 1.00 0.00 C ATOM 1552 O LEU A 127 134.886 4.993 10.677 1.00 0.00 O ATOM 1553 CB LEU A 127 133.870 7.326 8.354 1.00 0.00 C ATOM 1554 CG LEU A 127 134.479 7.770 7.023 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.620 7.251 5.868 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.530 9.299 6.970 1.00 0.00 C ATOM 0 H LEU A 127 132.375 5.742 7.334 1.00 0.00 H new ATOM 0 HA LEU A 127 135.137 5.551 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.799 7.527 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.306 7.898 9.173 1.00 0.00 H new ATOM 0 HG LEU A 127 135.488 7.368 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.055 7.568 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.582 6.162 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.611 7.653 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.964 9.616 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.520 9.700 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 127 135.142 9.671 7.791 1.00 0.00 H new ATOM 1568 N SER A 128 132.786 5.661 10.581 1.00 0.00 N ATOM 1569 CA SER A 128 132.546 5.318 12.016 1.00 0.00 C ATOM 1570 C SER A 128 131.999 3.883 12.125 1.00 0.00 C ATOM 1571 O SER A 128 130.874 3.633 11.743 1.00 0.00 O ATOM 1572 CB SER A 128 131.501 6.327 12.495 1.00 0.00 C ATOM 1573 OG SER A 128 130.533 6.532 11.473 1.00 0.00 O ATOM 0 H SER A 128 131.980 6.048 10.090 1.00 0.00 H new ATOM 0 HA SER A 128 133.457 5.363 12.613 1.00 0.00 H new ATOM 0 HB2 SER A 128 131.017 5.962 13.401 1.00 0.00 H new ATOM 0 HB3 SER A 128 131.982 7.271 12.749 1.00 0.00 H new ATOM 0 HG SER A 128 130.177 7.443 11.538 1.00 0.00 H new ATOM 1579 N PRO A 129 132.808 2.974 12.635 1.00 0.00 N ATOM 1580 CA PRO A 129 132.362 1.570 12.764 1.00 0.00 C ATOM 1581 C PRO A 129 131.379 1.406 13.930 1.00 0.00 C ATOM 1582 O PRO A 129 131.704 1.677 15.070 1.00 0.00 O ATOM 1583 CB PRO A 129 133.651 0.799 13.031 1.00 0.00 C ATOM 1584 CG PRO A 129 134.586 1.794 13.633 1.00 0.00 C ATOM 1585 CD PRO A 129 134.180 3.155 13.127 1.00 0.00 C ATOM 0 HA PRO A 129 131.834 1.218 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.476 -0.037 13.708 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.059 0.383 12.110 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.536 1.758 14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.616 1.572 13.353 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.221 3.901 13.920 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.844 3.497 12.333 1.00 0.00 H new ATOM 1593 N ARG A 130 130.185 0.950 13.646 1.00 0.00 N ATOM 1594 CA ARG A 130 129.172 0.749 14.725 1.00 0.00 C ATOM 1595 C ARG A 130 128.735 -0.724 14.754 1.00 0.00 C ATOM 1596 O ARG A 130 128.834 -1.406 13.756 1.00 0.00 O ATOM 1597 CB ARG A 130 128.002 1.656 14.350 1.00 0.00 C ATOM 1598 CG ARG A 130 128.415 3.119 14.537 1.00 0.00 C ATOM 1599 CD ARG A 130 127.175 4.013 14.469 1.00 0.00 C ATOM 1600 NE ARG A 130 126.744 3.964 13.041 1.00 0.00 N ATOM 1601 CZ ARG A 130 127.297 4.744 12.134 1.00 0.00 C ATOM 1602 NH1 ARG A 130 128.372 5.448 12.398 1.00 0.00 N ATOM 1603 NH2 ARG A 130 126.766 4.816 10.947 1.00 0.00 N ATOM 0 H ARG A 130 129.867 0.707 12.708 1.00 0.00 H new ATOM 0 HA ARG A 130 129.560 0.989 15.715 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.707 1.479 13.316 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.136 1.428 14.972 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.916 3.247 15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.128 3.408 13.765 1.00 0.00 H new ATOM 0 HD2 ARG A 130 126.389 3.650 15.131 1.00 0.00 H new ATOM 0 HD3 ARG A 130 127.406 5.033 14.777 1.00 0.00 H new ATOM 0 HE ARG A 130 126.008 3.315 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 130 128.799 5.399 13.323 1.00 0.00 H new ATOM 0 HH12 ARG A 130 128.781 6.044 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 130 125.931 4.272 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 130 127.185 5.416 10.237 1.00 0.00 H new ATOM 1617 N PRO A 131 128.272 -1.181 15.898 1.00 0.00 N ATOM 1618 CA PRO A 131 127.840 -2.599 16.022 1.00 0.00 C ATOM 1619 C PRO A 131 126.578 -2.866 15.197 1.00 0.00 C ATOM 1620 O PRO A 131 125.756 -1.992 15.000 1.00 0.00 O ATOM 1621 CB PRO A 131 127.564 -2.761 17.516 1.00 0.00 C ATOM 1622 CG PRO A 131 127.266 -1.381 18.002 1.00 0.00 C ATOM 1623 CD PRO A 131 128.096 -0.446 17.163 1.00 0.00 C ATOM 0 HA PRO A 131 128.586 -3.302 15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.724 -3.432 17.692 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.425 -3.185 18.033 1.00 0.00 H new ATOM 0 HG2 PRO A 131 126.205 -1.155 17.901 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.515 -1.279 19.058 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.591 0.507 17.006 1.00 0.00 H new ATOM 0 HD3 PRO A 131 129.053 -0.226 17.636 1.00 0.00 H new ATOM 1631 N VAL A 132 126.418 -4.080 14.719 1.00 0.00 N ATOM 1632 CA VAL A 132 125.204 -4.429 13.905 1.00 0.00 C ATOM 1633 C VAL A 132 123.929 -4.050 14.682 1.00 0.00 C ATOM 1634 O VAL A 132 122.912 -3.735 14.097 1.00 0.00 O ATOM 1635 CB VAL A 132 125.303 -5.960 13.682 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.972 -6.530 13.151 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.420 -6.260 12.668 1.00 0.00 C ATOM 0 H VAL A 132 127.077 -4.846 14.857 1.00 0.00 H new ATOM 0 HA VAL A 132 125.158 -3.894 12.957 1.00 0.00 H new ATOM 0 HB VAL A 132 125.526 -6.431 14.639 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.070 -7.606 13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.179 -6.333 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.726 -6.055 12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.490 -7.336 12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.193 -5.769 11.721 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.370 -5.887 13.052 1.00 0.00 H new ATOM 1647 N SER A 133 123.985 -4.091 15.988 1.00 0.00 N ATOM 1648 CA SER A 133 122.781 -3.749 16.812 1.00 0.00 C ATOM 1649 C SER A 133 122.312 -2.315 16.541 1.00 0.00 C ATOM 1650 O SER A 133 121.127 -2.056 16.440 1.00 0.00 O ATOM 1651 CB SER A 133 123.236 -3.891 18.265 1.00 0.00 C ATOM 1652 OG SER A 133 122.110 -3.763 19.124 1.00 0.00 O ATOM 0 H SER A 133 124.814 -4.347 16.524 1.00 0.00 H new ATOM 0 HA SER A 133 121.939 -4.400 16.575 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.715 -4.859 18.415 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.978 -3.128 18.502 1.00 0.00 H new ATOM 0 HG SER A 133 122.398 -3.855 20.056 1.00 0.00 H new ATOM 1658 N TYR A 134 123.226 -1.383 16.424 1.00 0.00 N ATOM 1659 CA TYR A 134 122.822 0.034 16.161 1.00 0.00 C ATOM 1660 C TYR A 134 122.230 0.151 14.756 1.00 0.00 C ATOM 1661 O TYR A 134 121.259 0.846 14.532 1.00 0.00 O ATOM 1662 CB TYR A 134 124.112 0.852 16.270 1.00 0.00 C ATOM 1663 CG TYR A 134 123.801 2.316 16.080 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.295 3.073 17.143 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.021 2.912 14.838 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.007 4.430 16.958 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.734 4.270 14.652 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.226 5.029 15.712 1.00 0.00 C ATOM 1669 OH TYR A 134 122.944 6.367 15.530 1.00 0.00 O ATOM 0 H TYR A 134 124.231 -1.541 16.499 1.00 0.00 H new ATOM 0 HA TYR A 134 122.065 0.385 16.862 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.575 0.692 17.244 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.829 0.522 15.518 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.127 2.611 18.104 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.413 2.326 14.020 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.616 5.015 17.777 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.905 4.731 13.691 1.00 0.00 H new ATOM 0 HH TYR A 134 123.154 6.623 14.608 1.00 0.00 H new ATOM 1679 N LEU A 135 122.817 -0.535 13.813 1.00 0.00 N ATOM 1680 CA LEU A 135 122.314 -0.491 12.411 1.00 0.00 C ATOM 1681 C LEU A 135 121.320 -1.637 12.170 1.00 0.00 C ATOM 1682 O LEU A 135 121.046 -2.000 11.042 1.00 0.00 O ATOM 1683 CB LEU A 135 123.581 -0.670 11.562 1.00 0.00 C ATOM 1684 CG LEU A 135 123.286 -0.441 10.072 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.733 0.969 9.849 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.585 -0.598 9.277 1.00 0.00 C ATOM 0 H LEU A 135 123.633 -1.130 13.957 1.00 0.00 H new ATOM 0 HA LEU A 135 121.782 0.430 12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.348 0.029 11.896 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.980 -1.674 11.707 1.00 0.00 H new ATOM 0 HG LEU A 135 122.547 -1.170 9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.529 1.116 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.811 1.092 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.465 1.704 10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.385 -0.437 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.315 0.134 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.982 -1.603 9.423 1.00 0.00 H new ATOM 1698 N LYS A 136 120.781 -2.221 13.219 1.00 0.00 N ATOM 1699 CA LYS A 136 119.824 -3.349 13.028 1.00 0.00 C ATOM 1700 C LYS A 136 118.431 -2.864 12.721 1.00 0.00 C ATOM 1701 O LYS A 136 117.767 -2.232 13.520 1.00 0.00 O ATOM 1702 CB LYS A 136 119.873 -4.182 14.306 1.00 0.00 C ATOM 1703 CG LYS A 136 119.642 -5.646 13.940 1.00 0.00 C ATOM 1704 CD LYS A 136 120.206 -6.552 15.034 1.00 0.00 C ATOM 1705 CE LYS A 136 120.539 -7.919 14.433 1.00 0.00 C ATOM 1706 NZ LYS A 136 119.348 -8.766 14.723 1.00 0.00 N ATOM 0 H LYS A 136 120.964 -1.964 14.189 1.00 0.00 H new ATOM 0 HA LYS A 136 120.108 -3.952 12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.838 -4.063 14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.112 -3.843 15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.576 -5.834 13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.120 -5.871 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 136 121.100 -6.105 15.468 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.481 -6.663 15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.720 -7.846 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 136 121.440 -8.338 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 119.500 -9.721 14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 119.205 -8.823 15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 118.507 -8.346 14.279 1.00 0.00 H new ATOM 1720 N GLY A 137 117.997 -3.178 11.533 1.00 0.00 N ATOM 1721 CA GLY A 137 116.632 -2.762 11.101 1.00 0.00 C ATOM 1722 C GLY A 137 116.728 -1.532 10.202 1.00 0.00 C ATOM 1723 O GLY A 137 115.820 -0.723 10.146 1.00 0.00 O ATOM 0 H GLY A 137 118.529 -3.706 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.145 -3.578 10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.016 -2.540 11.973 1.00 0.00 H new ATOM 1727 N SER A 138 117.819 -1.387 9.495 1.00 0.00 N ATOM 1728 CA SER A 138 117.977 -0.213 8.592 1.00 0.00 C ATOM 1729 C SER A 138 117.934 -0.653 7.126 1.00 0.00 C ATOM 1730 O SER A 138 118.390 0.059 6.250 1.00 0.00 O ATOM 1731 CB SER A 138 119.347 0.370 8.933 1.00 0.00 C ATOM 1732 OG SER A 138 119.305 0.939 10.235 1.00 0.00 O ATOM 0 H SER A 138 118.608 -2.034 9.506 1.00 0.00 H new ATOM 0 HA SER A 138 117.177 0.515 8.726 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.108 -0.409 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.625 1.128 8.201 1.00 0.00 H new ATOM 0 HG SER A 138 119.672 1.847 10.207 1.00 0.00 H new ATOM 1738 N SER A 139 117.387 -1.816 6.845 1.00 0.00 N ATOM 1739 CA SER A 139 117.321 -2.278 5.425 1.00 0.00 C ATOM 1740 C SER A 139 116.399 -1.353 4.630 1.00 0.00 C ATOM 1741 O SER A 139 115.419 -0.852 5.149 1.00 0.00 O ATOM 1742 CB SER A 139 116.745 -3.693 5.480 1.00 0.00 C ATOM 1743 OG SER A 139 117.296 -4.387 6.593 1.00 0.00 O ATOM 0 H SER A 139 116.989 -2.456 7.532 1.00 0.00 H new ATOM 0 HA SER A 139 118.297 -2.266 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.659 -3.652 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.973 -4.226 4.557 1.00 0.00 H new ATOM 0 HG SER A 139 117.902 -5.088 6.274 1.00 0.00 H new ATOM 1749 N GLY A 140 116.708 -1.116 3.382 1.00 0.00 N ATOM 1750 CA GLY A 140 115.851 -0.217 2.556 1.00 0.00 C ATOM 1751 C GLY A 140 116.430 1.203 2.561 1.00 0.00 C ATOM 1752 O GLY A 140 116.153 1.990 1.677 1.00 0.00 O ATOM 0 H GLY A 140 117.517 -1.507 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.794 -0.592 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.835 -0.206 2.949 1.00 0.00 H new ATOM 1756 N GLY A 141 117.235 1.538 3.546 1.00 0.00 N ATOM 1757 CA GLY A 141 117.834 2.908 3.606 1.00 0.00 C ATOM 1758 C GLY A 141 118.600 3.194 2.300 1.00 0.00 C ATOM 1759 O GLY A 141 119.629 2.596 2.058 1.00 0.00 O ATOM 0 H GLY A 141 117.502 0.918 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 141 117.051 3.652 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.508 2.984 4.459 1.00 0.00 H new ATOM 1763 N PRO A 142 118.074 4.088 1.483 1.00 0.00 N ATOM 1764 CA PRO A 142 118.744 4.405 0.199 1.00 0.00 C ATOM 1765 C PRO A 142 119.972 5.288 0.424 1.00 0.00 C ATOM 1766 O PRO A 142 120.026 6.074 1.354 1.00 0.00 O ATOM 1767 CB PRO A 142 117.679 5.158 -0.590 1.00 0.00 C ATOM 1768 CG PRO A 142 116.771 5.751 0.439 1.00 0.00 C ATOM 1769 CD PRO A 142 116.840 4.874 1.663 1.00 0.00 C ATOM 0 HA PRO A 142 119.105 3.514 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.126 5.932 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.135 4.488 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.077 6.769 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.749 5.805 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.877 5.468 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.965 4.228 1.739 1.00 0.00 H new ATOM 1777 N LEU A 143 120.952 5.171 -0.434 1.00 0.00 N ATOM 1778 CA LEU A 143 122.180 6.005 -0.303 1.00 0.00 C ATOM 1779 C LEU A 143 122.103 7.170 -1.292 1.00 0.00 C ATOM 1780 O LEU A 143 122.156 6.976 -2.492 1.00 0.00 O ATOM 1781 CB LEU A 143 123.339 5.071 -0.658 1.00 0.00 C ATOM 1782 CG LEU A 143 123.658 4.176 0.539 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.798 2.913 0.475 1.00 0.00 C ATOM 1784 CD2 LEU A 143 125.138 3.787 0.502 1.00 0.00 C ATOM 0 H LEU A 143 120.952 4.528 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 143 122.301 6.427 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.076 4.461 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.218 5.654 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 143 123.445 4.714 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 143 123.025 2.274 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.744 3.189 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 143 123.011 2.374 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.368 3.149 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.350 3.249 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.752 4.687 0.546 1.00 0.00 H new ATOM 1796 N LEU A 144 121.961 8.374 -0.799 1.00 0.00 N ATOM 1797 CA LEU A 144 121.862 9.554 -1.710 1.00 0.00 C ATOM 1798 C LEU A 144 123.222 10.238 -1.861 1.00 0.00 C ATOM 1799 O LEU A 144 123.966 10.381 -0.910 1.00 0.00 O ATOM 1800 CB LEU A 144 120.866 10.494 -1.030 1.00 0.00 C ATOM 1801 CG LEU A 144 120.074 11.254 -2.095 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.894 10.399 -2.560 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.551 12.564 -1.500 1.00 0.00 C ATOM 0 H LEU A 144 121.909 8.591 0.196 1.00 0.00 H new ATOM 0 HA LEU A 144 121.543 9.269 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.188 9.925 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.394 11.196 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 144 120.721 11.472 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.329 10.940 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.265 9.465 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.245 10.182 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 144 118.986 13.108 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.903 12.345 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 144 120.391 13.173 -1.167 1.00 0.00 H new ATOM 1815 N CYS A 145 123.542 10.669 -3.054 1.00 0.00 N ATOM 1816 CA CYS A 145 124.848 11.357 -3.286 1.00 0.00 C ATOM 1817 C CYS A 145 124.782 12.794 -2.746 1.00 0.00 C ATOM 1818 O CYS A 145 123.733 13.235 -2.317 1.00 0.00 O ATOM 1819 CB CYS A 145 125.030 11.366 -4.811 1.00 0.00 C ATOM 1820 SG CYS A 145 126.237 10.103 -5.296 1.00 0.00 S ATOM 0 H CYS A 145 122.953 10.574 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 145 125.676 10.859 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 145 124.075 11.176 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.367 12.349 -5.140 1.00 0.00 H new ATOM 0 HG CYS A 145 127.351 10.677 -5.641 1.00 0.00 H new ATOM 1825 N PRO A 146 125.899 13.489 -2.781 1.00 0.00 N ATOM 1826 CA PRO A 146 125.924 14.888 -2.281 1.00 0.00 C ATOM 1827 C PRO A 146 125.119 15.798 -3.213 1.00 0.00 C ATOM 1828 O PRO A 146 124.567 16.797 -2.793 1.00 0.00 O ATOM 1829 CB PRO A 146 127.407 15.253 -2.298 1.00 0.00 C ATOM 1830 CG PRO A 146 128.013 14.344 -3.318 1.00 0.00 C ATOM 1831 CD PRO A 146 127.220 13.065 -3.277 1.00 0.00 C ATOM 0 HA PRO A 146 125.481 15.000 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.554 16.300 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.862 15.107 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.973 14.793 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.063 14.156 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.149 12.606 -4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.679 12.330 -2.616 1.00 0.00 H new ATOM 1839 N SER A 147 125.046 15.453 -4.475 1.00 0.00 N ATOM 1840 CA SER A 147 124.271 16.289 -5.442 1.00 0.00 C ATOM 1841 C SER A 147 122.770 16.162 -5.163 1.00 0.00 C ATOM 1842 O SER A 147 122.022 17.109 -5.312 1.00 0.00 O ATOM 1843 CB SER A 147 124.609 15.726 -6.823 1.00 0.00 C ATOM 1844 OG SER A 147 124.040 14.430 -6.954 1.00 0.00 O ATOM 0 H SER A 147 125.490 14.628 -4.877 1.00 0.00 H new ATOM 0 HA SER A 147 124.523 17.347 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 147 124.224 16.385 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.690 15.676 -6.953 1.00 0.00 H new ATOM 0 HG SER A 147 123.538 14.377 -7.794 1.00 0.00 H new ATOM 1850 N GLY A 148 122.329 14.996 -4.760 1.00 0.00 N ATOM 1851 CA GLY A 148 120.879 14.797 -4.468 1.00 0.00 C ATOM 1852 C GLY A 148 120.309 13.724 -5.398 1.00 0.00 C ATOM 1853 O GLY A 148 119.196 13.834 -5.876 1.00 0.00 O ATOM 0 H GLY A 148 122.914 14.172 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.745 14.499 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.339 15.734 -4.604 1.00 0.00 H new ATOM 1857 N HIS A 149 121.067 12.688 -5.658 1.00 0.00 N ATOM 1858 CA HIS A 149 120.576 11.600 -6.558 1.00 0.00 C ATOM 1859 C HIS A 149 120.648 10.246 -5.847 1.00 0.00 C ATOM 1860 O HIS A 149 121.617 9.940 -5.176 1.00 0.00 O ATOM 1861 CB HIS A 149 121.521 11.625 -7.760 1.00 0.00 C ATOM 1862 CG HIS A 149 121.278 12.870 -8.567 1.00 0.00 C ATOM 1863 ND1 HIS A 149 122.229 13.389 -9.431 1.00 0.00 N ATOM 1864 CD2 HIS A 149 120.195 13.710 -8.654 1.00 0.00 C ATOM 1865 CE1 HIS A 149 121.706 14.494 -9.994 1.00 0.00 C ATOM 1866 NE2 HIS A 149 120.468 14.735 -9.555 1.00 0.00 N ATOM 0 H HIS A 149 122.006 12.549 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 149 119.537 11.747 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.557 11.595 -7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.362 10.742 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 149 119.272 13.593 -8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 149 122.224 15.111 -10.713 1.00 0.00 H new ATOM 0 HE2 HIS A 149 119.854 15.505 -9.822 1.00 0.00 H new ATOM 1874 N ALA A 150 119.631 9.434 -5.991 1.00 0.00 N ATOM 1875 CA ALA A 150 119.635 8.093 -5.327 1.00 0.00 C ATOM 1876 C ALA A 150 120.742 7.215 -5.918 1.00 0.00 C ATOM 1877 O ALA A 150 120.979 7.222 -7.111 1.00 0.00 O ATOM 1878 CB ALA A 150 118.258 7.492 -5.623 1.00 0.00 C ATOM 0 H ALA A 150 118.797 9.641 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 150 119.823 8.166 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.186 6.505 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.483 8.139 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.124 7.404 -6.701 1.00 0.00 H new ATOM 1884 N VAL A 151 121.420 6.463 -5.088 1.00 0.00 N ATOM 1885 CA VAL A 151 122.517 5.581 -5.594 1.00 0.00 C ATOM 1886 C VAL A 151 122.112 4.109 -5.466 1.00 0.00 C ATOM 1887 O VAL A 151 122.118 3.372 -6.434 1.00 0.00 O ATOM 1888 CB VAL A 151 123.727 5.885 -4.703 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.928 5.054 -5.164 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.080 7.374 -4.802 1.00 0.00 C ATOM 0 H VAL A 151 121.262 6.421 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 151 122.736 5.762 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 151 123.482 5.634 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.787 5.272 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.685 3.994 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.168 5.304 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.940 7.587 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.321 7.623 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.230 7.972 -4.473 1.00 0.00 H new ATOM 1900 N GLY A 152 121.765 3.678 -4.277 1.00 0.00 N ATOM 1901 CA GLY A 152 121.364 2.251 -4.085 1.00 0.00 C ATOM 1902 C GLY A 152 120.591 2.097 -2.772 1.00 0.00 C ATOM 1903 O GLY A 152 120.147 3.064 -2.188 1.00 0.00 O ATOM 0 H GLY A 152 121.743 4.252 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.746 1.922 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.249 1.614 -4.073 1.00 0.00 H new ATOM 1907 N ILE A 153 120.428 0.881 -2.312 1.00 0.00 N ATOM 1908 CA ILE A 153 119.683 0.642 -1.037 1.00 0.00 C ATOM 1909 C ILE A 153 120.494 -0.292 -0.129 1.00 0.00 C ATOM 1910 O ILE A 153 121.150 -1.204 -0.598 1.00 0.00 O ATOM 1911 CB ILE A 153 118.367 -0.021 -1.469 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.560 0.959 -2.324 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.542 -0.402 -0.236 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.452 0.203 -3.059 1.00 0.00 C ATOM 0 H ILE A 153 120.781 0.039 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 153 119.507 1.558 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 153 118.595 -0.918 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.128 1.737 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.213 1.456 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.611 -0.871 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.109 -1.100 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.318 0.494 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.877 0.901 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.895 -0.559 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.793 -0.273 -2.333 1.00 0.00 H new ATOM 1926 N PHE A 154 120.453 -0.073 1.165 1.00 0.00 N ATOM 1927 CA PHE A 154 121.224 -0.953 2.098 1.00 0.00 C ATOM 1928 C PHE A 154 120.726 -2.393 1.992 1.00 0.00 C ATOM 1929 O PHE A 154 119.560 -2.642 1.743 1.00 0.00 O ATOM 1930 CB PHE A 154 120.974 -0.403 3.508 1.00 0.00 C ATOM 1931 CG PHE A 154 121.943 -1.047 4.484 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.313 -1.111 4.183 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.470 -1.585 5.687 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.203 -1.713 5.082 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.362 -2.183 6.586 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.727 -2.246 6.284 1.00 0.00 C ATOM 0 H PHE A 154 119.921 0.674 1.612 1.00 0.00 H new ATOM 0 HA PHE A 154 122.287 -0.957 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.101 0.680 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.947 -0.606 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.681 -0.695 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.417 -1.539 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.256 -1.765 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.996 -2.596 7.514 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.413 -2.706 6.980 1.00 0.00 H new ATOM 1946 N ARG A 155 121.607 -3.340 2.173 1.00 0.00 N ATOM 1947 CA ARG A 155 121.207 -4.772 2.078 1.00 0.00 C ATOM 1948 C ARG A 155 121.683 -5.535 3.318 1.00 0.00 C ATOM 1949 O ARG A 155 120.896 -5.937 4.165 1.00 0.00 O ATOM 1950 CB ARG A 155 121.921 -5.295 0.821 1.00 0.00 C ATOM 1951 CG ARG A 155 120.893 -5.699 -0.247 1.00 0.00 C ATOM 1952 CD ARG A 155 120.956 -7.212 -0.481 1.00 0.00 C ATOM 1953 NE ARG A 155 121.917 -7.392 -1.611 1.00 0.00 N ATOM 1954 CZ ARG A 155 121.538 -7.233 -2.864 1.00 0.00 C ATOM 1955 NH1 ARG A 155 120.369 -6.718 -3.165 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.346 -7.594 -3.823 1.00 0.00 N ATOM 0 H ARG A 155 122.592 -3.181 2.384 1.00 0.00 H new ATOM 0 HA ARG A 155 120.126 -4.899 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 155 122.584 -4.526 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.544 -6.152 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 155 119.891 -5.412 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 155 121.094 -5.169 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 155 121.296 -7.735 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 155 119.974 -7.613 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 155 122.885 -7.643 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 155 119.732 -6.431 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 155 120.098 -6.605 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 155 123.257 -7.993 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 155 122.066 -7.477 -4.797 1.00 0.00 H new ATOM 1970 N ALA A 156 122.968 -5.745 3.424 1.00 0.00 N ATOM 1971 CA ALA A 156 123.500 -6.491 4.594 1.00 0.00 C ATOM 1972 C ALA A 156 124.593 -5.698 5.306 1.00 0.00 C ATOM 1973 O ALA A 156 125.393 -5.016 4.693 1.00 0.00 O ATOM 1974 CB ALA A 156 124.078 -7.782 4.011 1.00 0.00 C ATOM 0 H ALA A 156 123.668 -5.432 2.751 1.00 0.00 H new ATOM 0 HA ALA A 156 122.723 -6.679 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.492 -8.391 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.289 -8.338 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.865 -7.539 3.298 1.00 0.00 H new ATOM 1980 N ALA A 157 124.635 -5.818 6.599 1.00 0.00 N ATOM 1981 CA ALA A 157 125.682 -5.114 7.402 1.00 0.00 C ATOM 1982 C ALA A 157 126.866 -6.068 7.603 1.00 0.00 C ATOM 1983 O ALA A 157 126.694 -7.205 7.988 1.00 0.00 O ATOM 1984 CB ALA A 157 125.011 -4.788 8.736 1.00 0.00 C ATOM 0 H ALA A 157 123.983 -6.380 7.146 1.00 0.00 H new ATOM 0 HA ALA A 157 126.059 -4.211 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.719 -4.269 9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.144 -4.151 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.691 -5.712 9.218 1.00 0.00 H new ATOM 1990 N VAL A 158 128.057 -5.623 7.294 1.00 0.00 N ATOM 1991 CA VAL A 158 129.257 -6.520 7.408 1.00 0.00 C ATOM 1992 C VAL A 158 130.026 -6.272 8.706 1.00 0.00 C ATOM 1993 O VAL A 158 130.513 -5.182 8.945 1.00 0.00 O ATOM 1994 CB VAL A 158 130.165 -6.166 6.210 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.125 -7.333 5.928 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.333 -5.876 4.949 1.00 0.00 C ATOM 0 H VAL A 158 128.255 -4.677 6.967 1.00 0.00 H new ATOM 0 HA VAL A 158 128.948 -7.565 7.411 1.00 0.00 H new ATOM 0 HB VAL A 158 130.730 -5.270 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.765 -7.081 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.742 -7.517 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.550 -8.229 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 158 129.999 -5.630 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.744 -6.756 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.665 -5.036 5.139 1.00 0.00 H new ATOM 2006 N CYS A 159 130.161 -7.280 9.535 1.00 0.00 N ATOM 2007 CA CYS A 159 130.929 -7.101 10.806 1.00 0.00 C ATOM 2008 C CYS A 159 131.764 -8.352 11.114 1.00 0.00 C ATOM 2009 O CYS A 159 131.295 -9.467 10.980 1.00 0.00 O ATOM 2010 CB CYS A 159 129.875 -6.858 11.892 1.00 0.00 C ATOM 2011 SG CYS A 159 128.770 -8.288 12.020 1.00 0.00 S ATOM 0 H CYS A 159 129.775 -8.213 9.387 1.00 0.00 H new ATOM 0 HA CYS A 159 131.632 -6.271 10.742 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.363 -6.679 12.850 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.299 -5.963 11.656 1.00 0.00 H new ATOM 0 HG CYS A 159 129.397 -9.357 11.629 1.00 0.00 H new ATOM 2017 N THR A 160 132.991 -8.171 11.531 1.00 0.00 N ATOM 2018 CA THR A 160 133.857 -9.346 11.858 1.00 0.00 C ATOM 2019 C THR A 160 133.370 -10.010 13.151 1.00 0.00 C ATOM 2020 O THR A 160 133.305 -11.221 13.252 1.00 0.00 O ATOM 2021 CB THR A 160 135.263 -8.770 12.044 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.657 -8.099 10.855 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.249 -9.902 12.341 1.00 0.00 C ATOM 0 H THR A 160 133.432 -7.260 11.660 1.00 0.00 H new ATOM 0 HA THR A 160 133.834 -10.107 11.078 1.00 0.00 H new ATOM 0 HB THR A 160 135.260 -8.068 12.878 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.556 -7.728 10.972 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.249 -9.488 12.473 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.947 -10.418 13.252 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.255 -10.607 11.510 1.00 0.00 H new ATOM 2031 N ARG A 161 133.028 -9.221 14.137 1.00 0.00 N ATOM 2032 CA ARG A 161 132.539 -9.788 15.432 1.00 0.00 C ATOM 2033 C ARG A 161 131.392 -8.934 15.980 1.00 0.00 C ATOM 2034 O ARG A 161 131.396 -8.537 17.131 1.00 0.00 O ATOM 2035 CB ARG A 161 133.747 -9.748 16.375 1.00 0.00 C ATOM 2036 CG ARG A 161 134.269 -8.315 16.507 1.00 0.00 C ATOM 2037 CD ARG A 161 134.961 -8.154 17.860 1.00 0.00 C ATOM 2038 NE ARG A 161 135.648 -6.826 17.797 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.543 -6.476 18.698 1.00 0.00 C ATOM 2040 NH1 ARG A 161 136.727 -7.180 19.791 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.262 -5.405 18.502 1.00 0.00 N ATOM 0 H ARG A 161 133.066 -8.202 14.101 1.00 0.00 H new ATOM 0 HA ARG A 161 132.154 -10.801 15.319 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.465 -10.131 17.355 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.536 -10.396 15.994 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.967 -8.094 15.700 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.446 -7.606 16.420 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.240 -8.185 18.677 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.675 -8.958 18.035 1.00 0.00 H new ATOM 0 HE ARG A 161 135.419 -6.180 17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 161 136.171 -8.019 19.957 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.426 -6.888 20.474 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.128 -4.848 17.658 1.00 0.00 H new ATOM 0 HH22 ARG A 161 137.958 -5.124 19.193 1.00 0.00 H new ATOM 2055 N GLY A 162 130.418 -8.643 15.158 1.00 0.00 N ATOM 2056 CA GLY A 162 129.267 -7.805 15.609 1.00 0.00 C ATOM 2057 C GLY A 162 129.565 -6.319 15.355 1.00 0.00 C ATOM 2058 O GLY A 162 128.682 -5.488 15.440 1.00 0.00 O ATOM 0 H GLY A 162 130.370 -8.952 14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.362 -8.099 15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.080 -7.970 16.670 1.00 0.00 H new ATOM 2062 N VAL A 163 130.795 -5.978 15.031 1.00 0.00 N ATOM 2063 CA VAL A 163 131.128 -4.548 14.760 1.00 0.00 C ATOM 2064 C VAL A 163 131.036 -4.294 13.255 1.00 0.00 C ATOM 2065 O VAL A 163 131.720 -4.923 12.474 1.00 0.00 O ATOM 2066 CB VAL A 163 132.567 -4.367 15.254 1.00 0.00 C ATOM 2067 CG1 VAL A 163 133.013 -2.922 15.024 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.637 -4.683 16.750 1.00 0.00 C ATOM 0 H VAL A 163 131.575 -6.629 14.944 1.00 0.00 H new ATOM 0 HA VAL A 163 130.451 -3.853 15.256 1.00 0.00 H new ATOM 0 HB VAL A 163 133.223 -5.042 14.704 1.00 0.00 H new ATOM 0 HG11 VAL A 163 134.037 -2.797 15.376 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.965 -2.691 13.960 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.356 -2.247 15.572 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.661 -4.554 17.102 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.978 -4.008 17.296 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.322 -5.713 16.920 1.00 0.00 H new ATOM 2078 N ALA A 164 130.186 -3.389 12.847 1.00 0.00 N ATOM 2079 CA ALA A 164 130.026 -3.106 11.389 1.00 0.00 C ATOM 2080 C ALA A 164 131.030 -2.052 10.920 1.00 0.00 C ATOM 2081 O ALA A 164 131.009 -0.917 11.360 1.00 0.00 O ATOM 2082 CB ALA A 164 128.597 -2.582 11.249 1.00 0.00 C ATOM 0 H ALA A 164 129.593 -2.832 13.462 1.00 0.00 H new ATOM 0 HA ALA A 164 130.206 -3.993 10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.396 -2.349 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.895 -3.342 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.479 -1.681 11.851 1.00 0.00 H new ATOM 2088 N LYS A 165 131.902 -2.425 10.019 1.00 0.00 N ATOM 2089 CA LYS A 165 132.913 -1.461 9.494 1.00 0.00 C ATOM 2090 C LYS A 165 132.641 -1.170 8.013 1.00 0.00 C ATOM 2091 O LYS A 165 132.997 -0.123 7.504 1.00 0.00 O ATOM 2092 CB LYS A 165 134.258 -2.168 9.663 1.00 0.00 C ATOM 2093 CG LYS A 165 134.526 -2.415 11.150 1.00 0.00 C ATOM 2094 CD LYS A 165 135.872 -3.122 11.314 1.00 0.00 C ATOM 2095 CE LYS A 165 136.143 -3.370 12.800 1.00 0.00 C ATOM 2096 NZ LYS A 165 136.636 -2.065 13.323 1.00 0.00 N ATOM 0 H LYS A 165 131.957 -3.363 9.622 1.00 0.00 H new ATOM 0 HA LYS A 165 132.887 -0.505 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.253 -3.114 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.056 -1.561 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.531 -1.469 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.729 -3.023 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 165 135.866 -4.068 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.668 -2.514 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 165 135.238 -3.687 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 165 136.884 -4.157 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.651 -2.137 13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 136.484 -1.325 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 136.117 -1.821 14.191 1.00 0.00 H new ATOM 2110 N ALA A 166 132.019 -2.092 7.319 1.00 0.00 N ATOM 2111 CA ALA A 166 131.724 -1.882 5.870 1.00 0.00 C ATOM 2112 C ALA A 166 130.230 -2.086 5.594 1.00 0.00 C ATOM 2113 O ALA A 166 129.495 -2.569 6.434 1.00 0.00 O ATOM 2114 CB ALA A 166 132.558 -2.935 5.142 1.00 0.00 C ATOM 0 H ALA A 166 131.702 -2.985 7.697 1.00 0.00 H new ATOM 0 HA ALA A 166 131.967 -0.872 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.397 -2.848 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.614 -2.781 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.259 -3.929 5.474 1.00 0.00 H new ATOM 2120 N VAL A 167 129.779 -1.712 4.422 1.00 0.00 N ATOM 2121 CA VAL A 167 128.329 -1.871 4.080 1.00 0.00 C ATOM 2122 C VAL A 167 128.163 -2.224 2.596 1.00 0.00 C ATOM 2123 O VAL A 167 128.802 -1.645 1.738 1.00 0.00 O ATOM 2124 CB VAL A 167 127.695 -0.507 4.386 1.00 0.00 C ATOM 2125 CG1 VAL A 167 127.850 -0.196 5.876 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.388 0.589 3.567 1.00 0.00 C ATOM 0 H VAL A 167 130.353 -1.302 3.685 1.00 0.00 H new ATOM 0 HA VAL A 167 127.860 -2.675 4.647 1.00 0.00 H new ATOM 0 HB VAL A 167 126.638 -0.539 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.400 0.773 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.352 -0.968 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 167 128.909 -0.171 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 167 127.932 1.553 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.447 0.620 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.278 0.373 2.504 1.00 0.00 H new ATOM 2136 N ASP A 168 127.312 -3.176 2.290 1.00 0.00 N ATOM 2137 CA ASP A 168 127.106 -3.574 0.860 1.00 0.00 C ATOM 2138 C ASP A 168 125.694 -3.206 0.386 1.00 0.00 C ATOM 2139 O ASP A 168 124.713 -3.455 1.064 1.00 0.00 O ATOM 2140 CB ASP A 168 127.300 -5.090 0.841 1.00 0.00 C ATOM 2141 CG ASP A 168 127.413 -5.571 -0.607 1.00 0.00 C ATOM 2142 OD1 ASP A 168 128.528 -5.778 -1.056 1.00 0.00 O ATOM 2143 OD2 ASP A 168 126.382 -5.723 -1.241 1.00 0.00 O ATOM 0 H ASP A 168 126.752 -3.694 2.968 1.00 0.00 H new ATOM 0 HA ASP A 168 127.798 -3.061 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.198 -5.359 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.461 -5.581 1.334 1.00 0.00 H new ATOM 2148 N PHE A 169 125.593 -2.614 -0.780 1.00 0.00 N ATOM 2149 CA PHE A 169 124.256 -2.216 -1.324 1.00 0.00 C ATOM 2150 C PHE A 169 124.247 -2.329 -2.857 1.00 0.00 C ATOM 2151 O PHE A 169 125.287 -2.371 -3.488 1.00 0.00 O ATOM 2152 CB PHE A 169 124.064 -0.755 -0.890 1.00 0.00 C ATOM 2153 CG PHE A 169 125.188 0.102 -1.434 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.031 0.769 -2.654 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.384 0.225 -0.716 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.071 1.559 -3.159 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.423 1.015 -1.221 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.267 1.683 -2.442 1.00 0.00 C ATOM 0 H PHE A 169 126.385 -2.388 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 169 123.456 -2.858 -0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.105 -0.383 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.041 -0.691 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.108 0.674 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.504 -0.289 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.951 2.073 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.346 1.110 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.069 2.293 -2.830 1.00 0.00 H new ATOM 2168 N VAL A 170 123.080 -2.364 -3.457 1.00 0.00 N ATOM 2169 CA VAL A 170 123.006 -2.459 -4.957 1.00 0.00 C ATOM 2170 C VAL A 170 122.630 -1.099 -5.563 1.00 0.00 C ATOM 2171 O VAL A 170 121.856 -0.365 -4.982 1.00 0.00 O ATOM 2172 CB VAL A 170 121.918 -3.493 -5.311 1.00 0.00 C ATOM 2173 CG1 VAL A 170 122.445 -4.904 -5.078 1.00 0.00 C ATOM 2174 CG2 VAL A 170 120.649 -3.271 -4.472 1.00 0.00 C ATOM 0 H VAL A 170 122.179 -2.331 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 170 123.975 -2.758 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 170 121.662 -3.367 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 170 121.670 -5.628 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 170 123.319 -5.074 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.723 -5.020 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 170 119.899 -4.014 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 170 120.891 -3.369 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 170 120.256 -2.273 -4.664 1.00 0.00 H new ATOM 2184 N PRO A 171 123.177 -0.804 -6.726 1.00 0.00 N ATOM 2185 CA PRO A 171 122.859 0.479 -7.395 1.00 0.00 C ATOM 2186 C PRO A 171 121.458 0.411 -8.010 1.00 0.00 C ATOM 2187 O PRO A 171 120.724 -0.533 -7.791 1.00 0.00 O ATOM 2188 CB PRO A 171 123.924 0.597 -8.482 1.00 0.00 C ATOM 2189 CG PRO A 171 124.345 -0.809 -8.770 1.00 0.00 C ATOM 2190 CD PRO A 171 124.124 -1.613 -7.515 1.00 0.00 C ATOM 0 HA PRO A 171 122.861 1.332 -6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.525 1.079 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.767 1.200 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.766 -1.221 -9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.393 -0.842 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.714 -2.598 -7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.057 -1.772 -6.975 1.00 0.00 H new ATOM 2198 N VAL A 172 121.088 1.403 -8.778 1.00 0.00 N ATOM 2199 CA VAL A 172 119.733 1.399 -9.412 1.00 0.00 C ATOM 2200 C VAL A 172 119.772 0.654 -10.756 1.00 0.00 C ATOM 2201 O VAL A 172 118.760 0.180 -11.237 1.00 0.00 O ATOM 2202 CB VAL A 172 119.385 2.878 -9.622 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.999 2.997 -10.260 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.379 3.600 -8.271 1.00 0.00 C ATOM 0 H VAL A 172 121.665 2.216 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 172 118.992 0.892 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 172 120.129 3.330 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.755 4.049 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.996 2.486 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.257 2.541 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.132 4.651 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.637 3.142 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.365 3.521 -7.812 1.00 0.00 H new ATOM 2214 N GLU A 173 120.927 0.562 -11.368 1.00 0.00 N ATOM 2215 CA GLU A 173 121.029 -0.138 -12.689 1.00 0.00 C ATOM 2216 C GLU A 173 120.629 -1.616 -12.569 1.00 0.00 C ATOM 2217 O GLU A 173 120.129 -2.202 -13.510 1.00 0.00 O ATOM 2218 CB GLU A 173 122.498 -0.003 -13.113 1.00 0.00 C ATOM 2219 CG GLU A 173 123.411 -0.660 -12.082 1.00 0.00 C ATOM 2220 CD GLU A 173 124.841 -0.706 -12.622 1.00 0.00 C ATOM 2221 OE1 GLU A 173 125.668 0.035 -12.117 1.00 0.00 O ATOM 2222 OE2 GLU A 173 125.085 -1.482 -13.531 1.00 0.00 O ATOM 0 H GLU A 173 121.804 0.941 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 173 120.353 0.300 -13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.646 -0.468 -14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.757 1.050 -13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 173 123.382 -0.101 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 173 123.062 -1.669 -11.862 1.00 0.00 H new ATOM 2229 N SER A 174 120.848 -2.226 -11.428 1.00 0.00 N ATOM 2230 CA SER A 174 120.481 -3.668 -11.267 1.00 0.00 C ATOM 2231 C SER A 174 118.967 -3.863 -11.425 1.00 0.00 C ATOM 2232 O SER A 174 118.507 -4.939 -11.759 1.00 0.00 O ATOM 2233 CB SER A 174 120.922 -4.041 -9.851 1.00 0.00 C ATOM 2234 OG SER A 174 120.884 -5.455 -9.705 1.00 0.00 O ATOM 0 H SER A 174 121.263 -1.789 -10.605 1.00 0.00 H new ATOM 0 HA SER A 174 120.959 -4.293 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.930 -3.671 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.267 -3.570 -9.118 1.00 0.00 H new ATOM 0 HG SER A 174 121.167 -5.698 -8.799 1.00 0.00 H new ATOM 2240 N MET A 175 118.194 -2.836 -11.178 1.00 0.00 N ATOM 2241 CA MET A 175 116.708 -2.961 -11.301 1.00 0.00 C ATOM 2242 C MET A 175 116.262 -2.842 -12.763 1.00 0.00 C ATOM 2243 O MET A 175 115.244 -3.386 -13.151 1.00 0.00 O ATOM 2244 CB MET A 175 116.146 -1.802 -10.475 1.00 0.00 C ATOM 2245 CG MET A 175 116.223 -2.149 -8.977 1.00 0.00 C ATOM 2246 SD MET A 175 117.164 -0.880 -8.088 1.00 0.00 S ATOM 2247 CE MET A 175 118.424 -1.981 -7.396 1.00 0.00 C ATOM 0 H MET A 175 118.528 -1.914 -10.896 1.00 0.00 H new ATOM 0 HA MET A 175 116.354 -3.931 -10.951 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.710 -0.891 -10.677 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.112 -1.607 -10.761 1.00 0.00 H new ATOM 0 HG2 MET A 175 115.218 -2.225 -8.562 1.00 0.00 H new ATOM 0 HG3 MET A 175 116.696 -3.122 -8.845 1.00 0.00 H new ATOM 0 HE1 MET A 175 118.947 -1.472 -6.586 1.00 0.00 H new ATOM 0 HE2 MET A 175 117.947 -2.882 -7.010 1.00 0.00 H new ATOM 0 HE3 MET A 175 119.137 -2.253 -8.174 1.00 0.00 H new ATOM 2257 N GLU A 176 117.006 -2.130 -13.571 1.00 0.00 N ATOM 2258 CA GLU A 176 116.614 -1.968 -15.008 1.00 0.00 C ATOM 2259 C GLU A 176 116.545 -3.332 -15.704 1.00 0.00 C ATOM 2260 O GLU A 176 115.619 -3.614 -16.442 1.00 0.00 O ATOM 2261 CB GLU A 176 117.711 -1.102 -15.632 1.00 0.00 C ATOM 2262 CG GLU A 176 117.363 -0.809 -17.094 1.00 0.00 C ATOM 2263 CD GLU A 176 118.458 0.058 -17.718 1.00 0.00 C ATOM 2264 OE1 GLU A 176 118.126 0.904 -18.531 1.00 0.00 O ATOM 2265 OE2 GLU A 176 119.611 -0.139 -17.371 1.00 0.00 O ATOM 0 H GLU A 176 117.867 -1.654 -13.300 1.00 0.00 H new ATOM 0 HA GLU A 176 115.629 -1.512 -15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.812 -0.169 -15.077 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.671 -1.614 -15.572 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.263 -1.742 -17.649 1.00 0.00 H new ATOM 0 HG3 GLU A 176 116.402 -0.298 -17.154 1.00 0.00 H new ATOM 2272 N THR A 177 117.520 -4.175 -15.480 1.00 0.00 N ATOM 2273 CA THR A 177 117.518 -5.522 -16.131 1.00 0.00 C ATOM 2274 C THR A 177 116.413 -6.402 -15.539 1.00 0.00 C ATOM 2275 O THR A 177 115.752 -7.140 -16.245 1.00 0.00 O ATOM 2276 CB THR A 177 118.897 -6.117 -15.829 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.904 -5.247 -16.329 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.027 -7.486 -16.500 1.00 0.00 C ATOM 0 H THR A 177 118.319 -3.990 -14.874 1.00 0.00 H new ATOM 0 HA THR A 177 117.329 -5.456 -17.202 1.00 0.00 H new ATOM 0 HB THR A 177 119.014 -6.232 -14.751 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.788 -5.624 -16.136 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.009 -7.906 -16.283 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.255 -8.153 -16.118 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.910 -7.375 -17.578 1.00 0.00 H new ATOM 2286 N THR A 178 116.216 -6.333 -14.246 1.00 0.00 N ATOM 2287 CA THR A 178 115.160 -7.170 -13.599 1.00 0.00 C ATOM 2288 C THR A 178 113.765 -6.712 -14.034 1.00 0.00 C ATOM 2289 O THR A 178 112.845 -7.504 -14.125 1.00 0.00 O ATOM 2290 CB THR A 178 115.345 -6.961 -12.094 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.680 -7.292 -11.733 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.372 -7.858 -11.330 1.00 0.00 C ATOM 0 H THR A 178 116.741 -5.733 -13.610 1.00 0.00 H new ATOM 0 HA THR A 178 115.248 -8.220 -13.880 1.00 0.00 H new ATOM 0 HB THR A 178 115.147 -5.919 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 178 117.236 -6.485 -11.760 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.504 -7.709 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.349 -7.605 -11.608 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.568 -8.901 -11.578 1.00 0.00 H new ATOM 2300 N MET A 179 113.598 -5.440 -14.296 1.00 0.00 N ATOM 2301 CA MET A 179 112.256 -4.925 -14.718 1.00 0.00 C ATOM 2302 C MET A 179 111.797 -5.613 -16.008 1.00 0.00 C ATOM 2303 O MET A 179 110.631 -5.915 -16.176 1.00 0.00 O ATOM 2304 CB MET A 179 112.449 -3.426 -14.953 1.00 0.00 C ATOM 2305 CG MET A 179 111.173 -2.681 -14.558 1.00 0.00 C ATOM 2306 SD MET A 179 110.995 -1.195 -15.577 1.00 0.00 S ATOM 2307 CE MET A 179 109.533 -1.730 -16.501 1.00 0.00 C ATOM 0 H MET A 179 114.332 -4.734 -14.236 1.00 0.00 H new ATOM 0 HA MET A 179 111.493 -5.123 -13.965 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.293 -3.061 -14.367 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.683 -3.238 -16.001 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.307 -3.329 -14.689 1.00 0.00 H new ATOM 0 HG3 MET A 179 111.211 -2.408 -13.503 1.00 0.00 H new ATOM 0 HE1 MET A 179 109.241 -0.950 -17.204 1.00 0.00 H new ATOM 0 HE2 MET A 179 109.763 -2.644 -17.048 1.00 0.00 H new ATOM 0 HE3 MET A 179 108.713 -1.919 -15.808 1.00 0.00 H new ATOM 2317 N ARG A 180 112.705 -5.859 -16.920 1.00 0.00 N ATOM 2318 CA ARG A 180 112.323 -6.528 -18.204 1.00 0.00 C ATOM 2319 C ARG A 180 111.718 -7.908 -17.927 1.00 0.00 C ATOM 2320 O ARG A 180 110.759 -8.310 -18.558 1.00 0.00 O ATOM 2321 CB ARG A 180 113.625 -6.664 -18.996 1.00 0.00 C ATOM 2322 CG ARG A 180 114.086 -5.282 -19.464 1.00 0.00 C ATOM 2323 CD ARG A 180 113.233 -4.840 -20.655 1.00 0.00 C ATOM 2324 NE ARG A 180 113.965 -3.686 -21.249 1.00 0.00 N ATOM 2325 CZ ARG A 180 114.237 -3.675 -22.524 1.00 0.00 C ATOM 2326 NH1 ARG A 180 113.302 -3.387 -23.389 1.00 0.00 N ATOM 2327 NH2 ARG A 180 115.443 -3.955 -22.937 1.00 0.00 N ATOM 0 H ARG A 180 113.694 -5.626 -16.832 1.00 0.00 H new ATOM 0 HA ARG A 180 111.574 -5.956 -18.752 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.394 -7.124 -18.376 1.00 0.00 H new ATOM 0 HB3 ARG A 180 113.474 -7.318 -19.854 1.00 0.00 H new ATOM 0 HG2 ARG A 180 113.997 -4.562 -18.651 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.138 -5.314 -19.747 1.00 0.00 H new ATOM 0 HD2 ARG A 180 113.117 -5.647 -21.378 1.00 0.00 H new ATOM 0 HD3 ARG A 180 112.232 -4.550 -20.337 1.00 0.00 H new ATOM 0 HE ARG A 180 114.253 -2.906 -20.659 1.00 0.00 H new ATOM 0 HH11 ARG A 180 112.359 -3.171 -23.067 1.00 0.00 H new ATOM 0 HH12 ARG A 180 113.515 -3.378 -24.386 1.00 0.00 H new ATOM 0 HH21 ARG A 180 116.173 -4.183 -22.262 1.00 0.00 H new ATOM 0 HH22 ARG A 180 115.655 -3.946 -23.935 1.00 0.00 H new ATOM 2341 N ALA A 181 112.270 -8.632 -16.986 1.00 0.00 N ATOM 2342 CA ALA A 181 111.727 -9.987 -16.663 1.00 0.00 C ATOM 2343 C ALA A 181 110.366 -9.859 -15.972 1.00 0.00 C ATOM 2344 O ALA A 181 109.340 -10.188 -16.534 1.00 0.00 O ATOM 2345 CB ALA A 181 112.749 -10.616 -15.713 1.00 0.00 C ATOM 0 H ALA A 181 113.073 -8.343 -16.427 1.00 0.00 H new ATOM 0 HA ALA A 181 111.578 -10.592 -17.557 1.00 0.00 H new ATOM 0 HB1 ALA A 181 112.417 -11.615 -15.432 1.00 0.00 H new ATOM 0 HB2 ALA A 181 113.716 -10.682 -16.211 1.00 0.00 H new ATOM 0 HB3 ALA A 181 112.842 -10.000 -14.819 1.00 0.00 H new TER 2351 ALA A 181 HETATM 2352 O1 4P2 A 201 122.063 -11.957 4.606 1.00 20.00 O HETATM 2353 C8 4P2 A 201 126.797 -10.363 6.257 1.00 20.00 C HETATM 2354 O9 4P2 A 201 128.010 -9.886 5.816 1.00 20.00 O HETATM 2355 C10 4P2 A 201 128.500 -10.320 4.501 1.00 20.00 C HETATM 2356 C11 4P2 A 201 130.036 -10.295 4.553 1.00 20.00 C HETATM 2357 C12 4P2 A 201 130.480 -9.749 3.216 1.00 20.00 C HETATM 2358 C13 4P2 A 201 129.430 -8.694 2.913 1.00 20.00 C HETATM 2359 C14 4P2 A 201 128.090 -9.319 3.371 1.00 20.00 C HETATM 2360 C15 4P2 A 201 127.346 -9.929 2.152 1.00 20.00 C HETATM 2361 C16 4P2 A 201 125.962 -10.497 2.458 1.00 20.00 C HETATM 2362 C17 4P2 A 201 125.189 -10.749 1.163 1.00 20.00 C HETATM 2363 C18 4P2 A 201 123.842 -11.450 1.383 1.00 20.00 C HETATM 2364 C19 4P2 A 201 122.806 -10.606 2.139 1.00 20.00 C HETATM 2365 C20 4P2 A 201 121.531 -11.412 2.312 1.00 20.00 C HETATM 2366 N21 4P2 A 201 120.775 -11.522 1.119 1.00 20.00 N HETATM 2367 C22 4P2 A 201 119.700 -12.396 1.036 1.00 20.00 C HETATM 2368 C23 4P2 A 201 118.941 -12.498 -0.190 1.00 20.00 C HETATM 2369 C24 4P2 A 201 117.806 -13.404 -0.309 1.00 20.00 C HETATM 2370 C25 4P2 A 201 117.410 -14.238 0.815 1.00 20.00 C HETATM 2371 C26 4P2 A 201 118.154 -14.166 2.076 1.00 20.00 C HETATM 2372 C27 4P2 A 201 119.302 -13.249 2.204 1.00 20.00 C HETATM 2373 C28 4P2 A 201 120.094 -13.113 3.423 1.00 20.00 C HETATM 2374 C29 4P2 A 201 121.236 -12.183 3.508 1.00 20.00 C HETATM 2375 O38 4P2 A 201 126.054 -11.143 5.665 1.00 20.00 O HETATM 2376 C5 4P2 A 201 124.058 -9.476 7.488 1.00 20.00 C HETATM 2377 C6 4P2 A 201 125.239 -10.219 8.219 1.00 20.00 C HETATM 2378 N7 4P2 A 201 126.491 -9.846 7.509 1.00 20.00 N HETATM 2379 O32 4P2 A 201 124.116 -8.277 7.371 1.00 20.00 O HETATM 2380 C33 4P2 A 201 125.265 -9.761 9.721 1.00 20.00 C HETATM 2381 C34 4P2 A 201 126.402 -10.387 10.540 1.00 20.00 C HETATM 2382 C35 4P2 A 201 125.962 -10.296 12.005 1.00 20.00 C HETATM 2383 C36 4P2 A 201 124.458 -10.092 12.002 1.00 20.00 C HETATM 2384 C37 4P2 A 201 124.023 -10.187 10.553 1.00 20.00 C HETATM 2385 N4 4P2 A 201 122.922 -10.161 7.039 1.00 20.00 N HETATM 2386 C31 4P2 A 201 121.765 -9.428 6.444 1.00 20.00 C HETATM 2387 C39 4P2 A 201 121.186 -8.403 7.479 1.00 20.00 C HETATM 2388 O40 4P2 A 201 121.284 -8.612 8.697 1.00 20.00 O HETATM 2389 C30 4P2 A 201 120.734 -10.540 6.147 1.00 20.00 C HETATM 2390 C2 4P2 A 201 121.567 -11.823 5.961 1.00 20.00 C HETATM 2391 C3 4P2 A 201 122.798 -11.599 6.856 1.00 20.00 C HETATM 2392 N41 4P2 A 201 120.605 -7.219 6.974 1.00 20.00 N HETATM 2393 C42 4P2 A 201 120.087 -6.175 7.894 1.00 20.00 C HETATM 2394 C43 4P2 A 201 121.214 -5.347 8.617 1.00 20.00 C HETATM 2395 C44 4P2 A 201 120.412 -4.723 7.525 1.00 20.00 C HETATM 2396 C47 4P2 A 201 121.055 -4.891 10.001 1.00 20.00 C HETATM 2397 C48 4P2 A 201 122.054 -4.734 10.862 1.00 20.00 C HETATM 2398 C45 4P2 A 201 118.694 -6.422 8.545 1.00 20.00 C HETATM 2399 O46 4P2 A 201 118.408 -5.942 9.637 1.00 20.00 O HETATM 2400 N49 4P2 A 201 117.819 -7.205 7.800 1.00 20.00 N HETATM 2401 S 4P2 A 201 116.289 -7.596 8.250 1.00 20.00 S HETATM 2402 O51 4P2 A 201 115.911 -8.754 7.465 1.00 20.00 O HETATM 2403 O52 4P2 A 201 116.202 -7.613 9.691 1.00 20.00 O HETATM 2404 C53 4P2 A 201 115.245 -6.251 7.620 1.00 20.00 C HETATM 2405 C54 4P2 A 201 114.134 -5.822 8.546 1.00 20.00 C HETATM 2406 C55 4P2 A 201 115.356 -4.956 8.360 1.00 20.00 C HETATM 2459 ZN ZN A 202 125.174 11.606 -7.389 1.00 20.00 ZN