USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 61:sc= 0.881 USER MOD Set 1.2: A 90 SER OG : rot -86:sc= -1.73! USER MOD Set 2.1: A 48 HIS : no HD1:sc= -2.05 K(o=-1.9,f=-6.4!) USER MOD Set 2.2: A 82 THR OG1 : rot 127:sc= 0.134 USER MOD Set 3.1: A 60 GLN : amide:sc= -5.14! K(o=-9!,f=-2.1) USER MOD Set 3.2: A 76 ASN : amide:sc= -3.84! K(o=-9!,f=-2.1) USER MOD Set 4.1: A 73 TYR OH : rot 84:sc= 1.55 USER MOD Set 4.2: A 115 TYR OH : rot -141:sc= 0.701 USER MOD Set 5.1: A 30 MET CE :methyl 174:sc= -1.89 (180deg=-1.57!) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -122:sc= 0 (180deg=0) USER MOD Set 5.3: A 44 ASN : amide:sc= 0.277 K(o=-1.6,f=-5.3) USER MOD Set 6.1: A 17 SER OG : rot 120:sc= 0 USER MOD Set 6.2: A 25 TYR OH : rot -59:sc= 0.112 USER MOD Set 6.3: A 29 MET CE :methyl -138:sc= -0.0395 (180deg=-0.112) USER MOD Set 7.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 28 GLN : amide:sc=-0.00673 K(o=-0.0067,f=-3) USER MOD Set 8.1: A 11 GLN : amide:sc= -1.73! C(o=-15!,f=-19!) USER MOD Set 8.2: A 12 HIS : no HD1:sc= -13.2! C(o=-15!,f=-16!) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -2.99! (180deg=-3.57!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 13 MET CE :methyl -158:sc= -5.49! (180deg=-8.62!) USER MOD Single : A 15 SER OG : rot 160:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.973 USER MOD Single : A 20 SER OG : rot -59:sc= 0.225 USER MOD Single : A 21 SER OG : rot -114:sc= 0.333 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 27 ASN : amide:sc= -4.37! C(o=-4.4!,f=-5.9!) USER MOD Single : A 34 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 124:sc= -3.34 USER MOD Single : A 37 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 55 GLN : amide:sc= -7.8! K(o=-7.8!,f=-3.3) USER MOD Single : A 56 ASN : amide:sc= -0.036 X(o=-0.036,f=-0.44) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -6.5! C(o=-6.5!,f=-20!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 102:sc= 1.23 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -179:sc= -0.824 (180deg=-0.836) USER MOD Single : A 80 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 88 ASN : amide:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 92 TYR OH : rot -153:sc= 0.19 USER MOD Single : A 94 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.1) USER MOD Single : A 97 TYR OH : rot 57:sc= 1.29 USER MOD Single : A 99 THR OG1 : rot 139:sc= 1.24 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=0.24) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -5.71! C(o=-5.7!,f=-4.3!) USER MOD Single : A 123 SER OG : rot -120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.936 -0.332 -7.387 1.00 31.53 N ATOM 50 CA ARG A 4 -6.172 -0.999 -7.778 1.00 51.05 C ATOM 51 C ARG A 4 -5.966 -1.825 -9.045 1.00 35.44 C ATOM 52 O ARG A 4 -6.294 -3.011 -9.084 1.00 2.02 O ATOM 53 CB ARG A 4 -7.282 0.030 -8.003 1.00 32.54 C ATOM 54 CG ARG A 4 -8.574 -0.574 -8.530 1.00 42.43 C ATOM 55 CD ARG A 4 -9.660 -0.583 -7.466 1.00 1.31 C ATOM 56 NE ARG A 4 -10.736 -1.515 -7.790 1.00 71.21 N ATOM 57 CZ ARG A 4 -11.975 -1.398 -7.325 1.00 61.11 C ATOM 58 NH1 ARG A 4 -12.292 -0.393 -6.520 1.00 72.43 N ATOM 59 NH2 ARG A 4 -12.899 -2.287 -7.666 1.00 14.14 N ATOM 0 HA ARG A 4 -6.465 -1.670 -6.970 1.00 51.05 H new ATOM 0 HB2 ARG A 4 -7.487 0.542 -7.063 1.00 32.54 H new ATOM 0 HB3 ARG A 4 -6.930 0.784 -8.707 1.00 32.54 H new ATOM 0 HG2 ARG A 4 -8.916 -0.006 -9.395 1.00 42.43 H new ATOM 0 HG3 ARG A 4 -8.388 -1.593 -8.870 1.00 42.43 H new ATOM 0 HD2 ARG A 4 -9.223 -0.854 -6.505 1.00 1.31 H new ATOM 0 HD3 ARG A 4 -10.070 0.421 -7.358 1.00 1.31 H new ATOM 0 HE ARG A 4 -10.525 -2.299 -8.407 1.00 71.21 H new ATOM 0 HH11 ARG A 4 -11.584 0.292 -6.257 1.00 72.43 H new ATOM 0 HH12 ARG A 4 -13.244 -0.305 -6.164 1.00 72.43 H new ATOM 0 HH21 ARG A 4 -12.658 -3.061 -8.285 1.00 14.14 H new ATOM 0 HH22 ARG A 4 -13.850 -2.197 -7.309 1.00 14.14 H new ATOM 73 N ALA A 5 -5.423 -1.190 -10.078 1.00 23.43 N ATOM 74 CA ALA A 5 -5.172 -1.867 -11.344 1.00 51.23 C ATOM 75 C ALA A 5 -4.241 -3.059 -11.155 1.00 22.31 C ATOM 76 O ALA A 5 -4.306 -4.036 -11.902 1.00 22.13 O ATOM 77 CB ALA A 5 -4.587 -0.893 -12.356 1.00 5.20 C ATOM 0 H ALA A 5 -5.148 -0.208 -10.063 1.00 23.43 H new ATOM 0 HA ALA A 5 -6.124 -2.240 -11.723 1.00 51.23 H new ATOM 0 HB1 ALA A 5 -4.404 -1.412 -13.297 1.00 5.20 H new ATOM 0 HB2 ALA A 5 -5.289 -0.076 -12.522 1.00 5.20 H new ATOM 0 HB3 ALA A 5 -3.648 -0.492 -11.975 1.00 5.20 H new ATOM 83 N LYS A 6 -3.374 -2.973 -10.152 1.00 24.41 N ATOM 84 CA LYS A 6 -2.428 -4.045 -9.863 1.00 74.41 C ATOM 85 C LYS A 6 -3.158 -5.360 -9.608 1.00 32.32 C ATOM 86 O LYS A 6 -2.740 -6.417 -10.082 1.00 2.24 O ATOM 87 CB LYS A 6 -1.569 -3.683 -8.650 1.00 15.35 C ATOM 88 CG LYS A 6 -0.076 -3.761 -8.916 1.00 32.10 C ATOM 89 CD LYS A 6 0.409 -2.572 -9.728 1.00 55.12 C ATOM 90 CE LYS A 6 1.075 -3.015 -11.022 1.00 3.25 C ATOM 91 NZ LYS A 6 0.124 -3.723 -11.922 1.00 13.20 N ATOM 0 H LYS A 6 -3.307 -2.171 -9.525 1.00 24.41 H new ATOM 0 HA LYS A 6 -1.783 -4.170 -10.732 1.00 74.41 H new ATOM 0 HB2 LYS A 6 -1.819 -2.673 -8.327 1.00 15.35 H new ATOM 0 HB3 LYS A 6 -1.818 -4.352 -7.826 1.00 15.35 H new ATOM 0 HG2 LYS A 6 0.462 -3.799 -7.969 1.00 32.10 H new ATOM 0 HG3 LYS A 6 0.152 -4.684 -9.449 1.00 32.10 H new ATOM 0 HD2 LYS A 6 -0.433 -1.918 -9.956 1.00 55.12 H new ATOM 0 HD3 LYS A 6 1.114 -1.989 -9.136 1.00 55.12 H new ATOM 0 HE2 LYS A 6 1.483 -2.145 -11.537 1.00 3.25 H new ATOM 0 HE3 LYS A 6 1.914 -3.671 -10.792 1.00 3.25 H new ATOM 0 HZ1 LYS A 6 0.570 -3.873 -12.849 1.00 13.20 H new ATOM 0 HZ2 LYS A 6 -0.128 -4.642 -11.506 1.00 13.20 H new ATOM 0 HZ3 LYS A 6 -0.735 -3.149 -12.040 1.00 13.20 H new ATOM 105 N LYS A 7 -4.252 -5.288 -8.857 1.00 73.34 N ATOM 106 CA LYS A 7 -5.043 -6.472 -8.541 1.00 1.10 C ATOM 107 C LYS A 7 -5.565 -7.133 -9.812 1.00 71.34 C ATOM 108 O LYS A 7 -5.672 -8.357 -9.889 1.00 22.55 O ATOM 109 CB LYS A 7 -6.214 -6.099 -7.629 1.00 71.42 C ATOM 110 CG LYS A 7 -6.511 -7.141 -6.564 1.00 3.31 C ATOM 111 CD LYS A 7 -6.003 -6.704 -5.200 1.00 44.32 C ATOM 112 CE LYS A 7 -7.140 -6.561 -4.201 1.00 34.21 C ATOM 113 NZ LYS A 7 -6.875 -5.484 -3.208 1.00 3.22 N ATOM 0 H LYS A 7 -4.611 -4.422 -8.456 1.00 73.34 H new ATOM 0 HA LYS A 7 -4.398 -7.182 -8.023 1.00 1.10 H new ATOM 0 HB2 LYS A 7 -5.997 -5.147 -7.144 1.00 71.42 H new ATOM 0 HB3 LYS A 7 -7.105 -5.950 -8.238 1.00 71.42 H new ATOM 0 HG2 LYS A 7 -7.586 -7.316 -6.514 1.00 3.31 H new ATOM 0 HG3 LYS A 7 -6.047 -8.088 -6.840 1.00 3.31 H new ATOM 0 HD2 LYS A 7 -5.281 -7.432 -4.829 1.00 44.32 H new ATOM 0 HD3 LYS A 7 -5.478 -5.753 -5.294 1.00 44.32 H new ATOM 0 HE2 LYS A 7 -8.066 -6.344 -4.734 1.00 34.21 H new ATOM 0 HE3 LYS A 7 -7.286 -7.507 -3.680 1.00 34.21 H new ATOM 0 HZ1 LYS A 7 -7.674 -5.419 -2.545 1.00 3.22 H new ATOM 0 HZ2 LYS A 7 -6.005 -5.703 -2.682 1.00 3.22 H new ATOM 0 HZ3 LYS A 7 -6.761 -4.576 -3.703 1.00 3.22 H new ATOM 127 N PHE A 8 -5.888 -6.316 -10.809 1.00 50.03 N ATOM 128 CA PHE A 8 -6.399 -6.822 -12.078 1.00 64.20 C ATOM 129 C PHE A 8 -5.288 -7.489 -12.884 1.00 44.54 C ATOM 130 O PHE A 8 -5.511 -8.500 -13.548 1.00 63.52 O ATOM 131 CB PHE A 8 -7.023 -5.686 -12.891 1.00 3.13 C ATOM 132 CG PHE A 8 -7.480 -6.108 -14.258 1.00 14.33 C ATOM 133 CD1 PHE A 8 -8.675 -6.789 -14.423 1.00 35.21 C ATOM 134 CD2 PHE A 8 -6.716 -5.822 -15.377 1.00 61.34 C ATOM 135 CE1 PHE A 8 -9.098 -7.179 -15.680 1.00 34.15 C ATOM 136 CE2 PHE A 8 -7.134 -6.209 -16.637 1.00 20.42 C ATOM 137 CZ PHE A 8 -8.327 -6.888 -16.788 1.00 14.21 C ATOM 0 H PHE A 8 -5.805 -5.300 -10.763 1.00 50.03 H new ATOM 0 HA PHE A 8 -7.165 -7.567 -11.862 1.00 64.20 H new ATOM 0 HB2 PHE A 8 -7.873 -5.281 -12.342 1.00 3.13 H new ATOM 0 HB3 PHE A 8 -6.296 -4.880 -12.992 1.00 3.13 H new ATOM 0 HD1 PHE A 8 -9.283 -7.018 -13.560 1.00 35.21 H new ATOM 0 HD2 PHE A 8 -5.783 -5.290 -15.264 1.00 61.34 H new ATOM 0 HE1 PHE A 8 -10.031 -7.711 -15.795 1.00 34.15 H new ATOM 0 HE2 PHE A 8 -6.528 -5.981 -17.502 1.00 20.42 H new ATOM 0 HZ PHE A 8 -8.656 -7.191 -17.771 1.00 14.21 H new ATOM 147 N GLN A 9 -4.092 -6.912 -12.821 1.00 24.50 N ATOM 148 CA GLN A 9 -2.946 -7.450 -13.546 1.00 11.40 C ATOM 149 C GLN A 9 -2.670 -8.892 -13.136 1.00 74.51 C ATOM 150 O GLN A 9 -2.616 -9.788 -13.979 1.00 41.13 O ATOM 151 CB GLN A 9 -1.707 -6.589 -13.293 1.00 62.42 C ATOM 152 CG GLN A 9 -1.562 -5.431 -14.267 1.00 5.24 C ATOM 153 CD GLN A 9 -2.898 -4.869 -14.709 1.00 13.35 C ATOM 154 OE1 GLN A 9 -3.609 -5.480 -15.507 1.00 65.41 O ATOM 155 NE2 GLN A 9 -3.249 -3.698 -14.190 1.00 40.40 N ATOM 0 H GLN A 9 -3.891 -6.073 -12.276 1.00 24.50 H new ATOM 0 HA GLN A 9 -3.181 -7.434 -14.610 1.00 11.40 H new ATOM 0 HB2 GLN A 9 -1.749 -6.196 -12.277 1.00 62.42 H new ATOM 0 HB3 GLN A 9 -0.819 -7.218 -13.354 1.00 62.42 H new ATOM 0 HG2 GLN A 9 -0.976 -4.640 -13.800 1.00 5.24 H new ATOM 0 HG3 GLN A 9 -1.005 -5.765 -15.142 1.00 5.24 H new ATOM 0 HE21 GLN A 9 -2.629 -3.226 -13.532 1.00 40.40 H new ATOM 0 HE22 GLN A 9 -4.138 -3.271 -14.450 1.00 40.40 H new ATOM 164 N ARG A 10 -2.497 -9.110 -11.837 1.00 22.44 N ATOM 165 CA ARG A 10 -2.225 -10.445 -11.315 1.00 40.53 C ATOM 166 C ARG A 10 -3.506 -11.270 -11.240 1.00 20.20 C ATOM 167 O ARG A 10 -3.531 -12.339 -10.630 1.00 52.13 O ATOM 168 CB ARG A 10 -1.582 -10.353 -9.930 1.00 55.20 C ATOM 169 CG ARG A 10 -2.332 -9.444 -8.970 1.00 34.22 C ATOM 170 CD ARG A 10 -2.903 -10.224 -7.795 1.00 63.04 C ATOM 171 NE ARG A 10 -2.147 -9.994 -6.567 1.00 71.20 N ATOM 172 CZ ARG A 10 -2.651 -10.170 -5.351 1.00 2.15 C ATOM 173 NH1 ARG A 10 -3.904 -10.576 -5.201 1.00 11.23 N ATOM 174 NH2 ARG A 10 -1.900 -9.940 -4.281 1.00 33.03 N ATOM 0 H ARG A 10 -2.540 -8.380 -11.126 1.00 22.44 H new ATOM 0 HA ARG A 10 -1.533 -10.941 -11.996 1.00 40.53 H new ATOM 0 HB2 ARG A 10 -1.522 -11.352 -9.499 1.00 55.20 H new ATOM 0 HB3 ARG A 10 -0.560 -9.990 -10.037 1.00 55.20 H new ATOM 0 HG2 ARG A 10 -1.660 -8.669 -8.601 1.00 34.22 H new ATOM 0 HG3 ARG A 10 -3.140 -8.940 -9.501 1.00 34.22 H new ATOM 0 HD2 ARG A 10 -3.943 -9.936 -7.640 1.00 63.04 H new ATOM 0 HD3 ARG A 10 -2.898 -11.288 -8.030 1.00 63.04 H new ATOM 0 HE ARG A 10 -1.179 -9.681 -6.648 1.00 71.20 H new ATOM 0 HH11 ARG A 10 -4.484 -10.754 -6.021 1.00 11.23 H new ATOM 0 HH12 ARG A 10 -4.288 -10.710 -4.266 1.00 11.23 H new ATOM 0 HH21 ARG A 10 -0.935 -9.628 -4.393 1.00 33.03 H new ATOM 0 HH22 ARG A 10 -2.288 -10.075 -3.347 1.00 33.03 H new ATOM 188 N GLN A 11 -4.566 -10.766 -11.863 1.00 73.21 N ATOM 189 CA GLN A 11 -5.850 -11.457 -11.865 1.00 54.11 C ATOM 190 C GLN A 11 -6.039 -12.251 -13.153 1.00 72.23 C ATOM 191 O GLN A 11 -6.177 -13.475 -13.126 1.00 11.31 O ATOM 192 CB GLN A 11 -6.993 -10.454 -11.698 1.00 52.23 C ATOM 193 CG GLN A 11 -7.815 -10.672 -10.438 1.00 41.21 C ATOM 194 CD GLN A 11 -9.126 -9.912 -10.458 1.00 13.43 C ATOM 195 OE1 GLN A 11 -9.878 -9.973 -11.431 1.00 12.11 O ATOM 196 NE2 GLN A 11 -9.408 -9.189 -9.380 1.00 33.22 N ATOM 0 H GLN A 11 -4.561 -9.882 -12.373 1.00 73.21 H new ATOM 0 HA GLN A 11 -5.861 -12.153 -11.026 1.00 54.11 H new ATOM 0 HB2 GLN A 11 -6.581 -9.445 -11.683 1.00 52.23 H new ATOM 0 HB3 GLN A 11 -7.650 -10.517 -12.566 1.00 52.23 H new ATOM 0 HG2 GLN A 11 -8.018 -11.736 -10.321 1.00 41.21 H new ATOM 0 HG3 GLN A 11 -7.233 -10.361 -9.571 1.00 41.21 H new ATOM 0 HE21 GLN A 11 -8.756 -9.167 -8.596 1.00 33.22 H new ATOM 0 HE22 GLN A 11 -10.277 -8.656 -9.336 1.00 33.22 H new ATOM 205 N HIS A 12 -6.045 -11.548 -14.281 1.00 50.31 N ATOM 206 CA HIS A 12 -6.217 -12.188 -15.581 1.00 1.35 C ATOM 207 C HIS A 12 -4.988 -11.972 -16.459 1.00 73.20 C ATOM 208 O HIS A 12 -4.579 -12.866 -17.199 1.00 44.24 O ATOM 209 CB HIS A 12 -7.461 -11.641 -16.281 1.00 73.40 C ATOM 210 CG HIS A 12 -8.482 -11.082 -15.339 1.00 12.03 C ATOM 211 ND1 HIS A 12 -9.648 -11.743 -15.013 1.00 41.31 N ATOM 212 CD2 HIS A 12 -8.506 -9.917 -14.649 1.00 74.52 C ATOM 213 CE1 HIS A 12 -10.346 -11.008 -14.165 1.00 63.15 C ATOM 214 NE2 HIS A 12 -9.675 -9.895 -13.928 1.00 22.51 N ATOM 0 H HIS A 12 -5.933 -10.535 -14.321 1.00 50.31 H new ATOM 0 HA HIS A 12 -6.342 -13.259 -15.418 1.00 1.35 H new ATOM 0 HB2 HIS A 12 -7.160 -10.862 -16.982 1.00 73.40 H new ATOM 0 HB3 HIS A 12 -7.918 -12.438 -16.867 1.00 73.40 H new ATOM 0 HD2 HIS A 12 -7.747 -9.148 -14.663 1.00 74.52 H new ATOM 0 HE1 HIS A 12 -11.302 -11.272 -13.738 1.00 63.15 H new ATOM 0 HE2 HIS A 12 -9.976 -9.142 -13.310 1.00 22.51 H new ATOM 222 N MET A 13 -4.406 -10.781 -16.372 1.00 1.23 N ATOM 223 CA MET A 13 -3.224 -10.449 -17.159 1.00 1.14 C ATOM 224 C MET A 13 -2.049 -11.344 -16.778 1.00 44.13 C ATOM 225 O MET A 13 -1.402 -11.132 -15.752 1.00 60.52 O ATOM 226 CB MET A 13 -2.847 -8.980 -16.958 1.00 12.23 C ATOM 227 CG MET A 13 -3.934 -8.009 -17.391 1.00 23.11 C ATOM 228 SD MET A 13 -4.181 -7.995 -19.177 1.00 22.10 S ATOM 229 CE MET A 13 -2.515 -7.667 -19.747 1.00 2.33 C ATOM 0 H MET A 13 -4.733 -10.030 -15.765 1.00 1.23 H new ATOM 0 HA MET A 13 -3.459 -10.615 -18.210 1.00 1.14 H new ATOM 0 HB2 MET A 13 -2.620 -8.812 -15.905 1.00 12.23 H new ATOM 0 HB3 MET A 13 -1.937 -8.767 -17.518 1.00 12.23 H new ATOM 0 HG2 MET A 13 -4.870 -8.276 -16.901 1.00 23.11 H new ATOM 0 HG3 MET A 13 -3.673 -7.005 -17.056 1.00 23.11 H new ATOM 0 HE1 MET A 13 -2.550 -7.248 -20.753 1.00 2.33 H new ATOM 0 HE2 MET A 13 -2.034 -6.957 -19.075 1.00 2.33 H new ATOM 0 HE3 MET A 13 -1.946 -8.596 -19.761 1.00 2.33 H new ATOM 239 N ASP A 14 -1.778 -12.343 -17.611 1.00 32.22 N ATOM 240 CA ASP A 14 -0.680 -13.270 -17.362 1.00 11.13 C ATOM 241 C ASP A 14 0.357 -13.196 -18.478 1.00 3.43 C ATOM 242 O ASP A 14 1.176 -14.101 -18.639 1.00 51.40 O ATOM 243 CB ASP A 14 -1.210 -14.699 -17.235 1.00 64.21 C ATOM 244 CG ASP A 14 -1.226 -15.430 -18.563 1.00 64.50 C ATOM 245 OD1 ASP A 14 -2.092 -15.113 -19.404 1.00 42.33 O ATOM 246 OD2 ASP A 14 -0.373 -16.321 -18.761 1.00 25.13 O ATOM 0 H ASP A 14 -2.304 -12.532 -18.465 1.00 32.22 H new ATOM 0 HA ASP A 14 -0.201 -12.984 -16.426 1.00 11.13 H new ATOM 0 HB2 ASP A 14 -0.592 -15.251 -16.527 1.00 64.21 H new ATOM 0 HB3 ASP A 14 -2.220 -14.674 -16.825 1.00 64.21 H new ATOM 251 N SER A 15 0.316 -12.112 -19.246 1.00 50.30 N ATOM 252 CA SER A 15 1.249 -11.921 -20.350 1.00 62.42 C ATOM 253 C SER A 15 2.599 -12.559 -20.037 1.00 21.34 C ATOM 254 O SER A 15 3.206 -13.207 -20.890 1.00 55.34 O ATOM 255 CB SER A 15 1.432 -10.430 -20.640 1.00 60.40 C ATOM 256 OG SER A 15 1.602 -9.695 -19.441 1.00 15.32 O ATOM 0 H SER A 15 -0.354 -11.352 -19.124 1.00 50.30 H new ATOM 0 HA SER A 15 0.833 -12.407 -21.233 1.00 62.42 H new ATOM 0 HB2 SER A 15 2.299 -10.285 -21.285 1.00 60.40 H new ATOM 0 HB3 SER A 15 0.565 -10.053 -21.182 1.00 60.40 H new ATOM 0 HG SER A 15 2.027 -8.835 -19.642 1.00 15.32 H new ATOM 262 N ASP A 16 3.063 -12.371 -18.806 1.00 64.52 N ATOM 263 CA ASP A 16 4.341 -12.929 -18.378 1.00 1.32 C ATOM 264 C ASP A 16 4.483 -14.377 -18.836 1.00 3.12 C ATOM 265 O ASP A 16 5.378 -14.707 -19.614 1.00 71.22 O ATOM 266 CB ASP A 16 4.473 -12.847 -16.856 1.00 50.22 C ATOM 267 CG ASP A 16 5.894 -13.083 -16.385 1.00 23.24 C ATOM 268 OD1 ASP A 16 6.828 -12.578 -17.041 1.00 45.20 O ATOM 269 OD2 ASP A 16 6.072 -13.774 -15.360 1.00 25.44 O ATOM 0 H ASP A 16 2.574 -11.837 -18.088 1.00 64.52 H new ATOM 0 HA ASP A 16 5.137 -12.343 -18.836 1.00 1.32 H new ATOM 0 HB2 ASP A 16 4.139 -11.866 -16.518 1.00 50.22 H new ATOM 0 HB3 ASP A 16 3.814 -13.584 -16.397 1.00 50.22 H new ATOM 274 N SER A 17 3.596 -15.237 -18.347 1.00 13.15 N ATOM 275 CA SER A 17 3.625 -16.651 -18.702 1.00 3.14 C ATOM 276 C SER A 17 3.648 -16.830 -20.217 1.00 22.25 C ATOM 277 O SER A 17 3.266 -15.931 -20.965 1.00 10.20 O ATOM 278 CB SER A 17 2.413 -17.373 -18.109 1.00 42.45 C ATOM 279 OG SER A 17 2.751 -18.029 -16.900 1.00 2.11 O ATOM 0 H SER A 17 2.848 -14.979 -17.703 1.00 13.15 H new ATOM 0 HA SER A 17 4.535 -17.086 -18.289 1.00 3.14 H new ATOM 0 HB2 SER A 17 1.613 -16.656 -17.926 1.00 42.45 H new ATOM 0 HB3 SER A 17 2.032 -18.100 -18.826 1.00 42.45 H new ATOM 0 HG SER A 17 2.204 -17.671 -16.170 1.00 2.11 H new ATOM 285 N SER A 18 4.099 -17.999 -20.661 1.00 4.20 N ATOM 286 CA SER A 18 4.176 -18.296 -22.086 1.00 64.34 C ATOM 287 C SER A 18 2.897 -18.971 -22.570 1.00 74.34 C ATOM 288 O SER A 18 2.168 -19.600 -21.803 1.00 72.41 O ATOM 289 CB SER A 18 5.381 -19.193 -22.377 1.00 60.54 C ATOM 290 OG SER A 18 6.207 -18.628 -23.380 1.00 65.21 O ATOM 0 H SER A 18 4.416 -18.755 -20.055 1.00 4.20 H new ATOM 0 HA SER A 18 4.295 -17.355 -22.622 1.00 64.34 H new ATOM 0 HB2 SER A 18 5.959 -19.338 -21.464 1.00 60.54 H new ATOM 0 HB3 SER A 18 5.037 -20.177 -22.696 1.00 60.54 H new ATOM 0 HG SER A 18 6.971 -19.219 -23.546 1.00 65.21 H new ATOM 296 N PRO A 19 2.615 -18.838 -23.875 1.00 65.31 N ATOM 297 CA PRO A 19 1.424 -19.428 -24.492 1.00 71.14 C ATOM 298 C PRO A 19 1.501 -20.949 -24.564 1.00 33.43 C ATOM 299 O PRO A 19 2.322 -21.571 -23.890 1.00 32.24 O ATOM 300 CB PRO A 19 1.419 -18.826 -25.900 1.00 34.42 C ATOM 301 CG PRO A 19 2.844 -18.490 -26.173 1.00 70.45 C ATOM 302 CD PRO A 19 3.440 -18.102 -24.848 1.00 74.25 C ATOM 0 HA PRO A 19 0.521 -19.216 -23.919 1.00 71.14 H new ATOM 0 HB2 PRO A 19 1.032 -19.535 -26.632 1.00 34.42 H new ATOM 0 HB3 PRO A 19 0.787 -17.940 -25.949 1.00 34.42 H new ATOM 0 HG2 PRO A 19 3.370 -19.342 -26.603 1.00 70.45 H new ATOM 0 HG3 PRO A 19 2.922 -17.673 -26.890 1.00 70.45 H new ATOM 0 HD2 PRO A 19 4.490 -18.386 -24.781 1.00 74.25 H new ATOM 0 HD3 PRO A 19 3.390 -17.025 -24.685 1.00 74.25 H new ATOM 310 N SER A 20 0.641 -21.543 -25.385 1.00 54.10 N ATOM 311 CA SER A 20 0.609 -22.992 -25.542 1.00 22.42 C ATOM 312 C SER A 20 0.168 -23.669 -24.248 1.00 30.33 C ATOM 313 O SER A 20 0.795 -24.623 -23.788 1.00 64.52 O ATOM 314 CB SER A 20 1.987 -23.511 -25.958 1.00 72.42 C ATOM 315 OG SER A 20 1.923 -24.872 -26.347 1.00 73.55 O ATOM 0 H SER A 20 -0.043 -21.043 -25.952 1.00 54.10 H new ATOM 0 HA SER A 20 -0.113 -23.233 -26.322 1.00 22.42 H new ATOM 0 HB2 SER A 20 2.371 -22.911 -26.783 1.00 72.42 H new ATOM 0 HB3 SER A 20 2.687 -23.399 -25.130 1.00 72.42 H new ATOM 0 HG SER A 20 1.578 -25.409 -25.603 1.00 73.55 H new ATOM 321 N SER A 21 -0.916 -23.168 -23.665 1.00 13.12 N ATOM 322 CA SER A 21 -1.441 -23.721 -22.421 1.00 44.45 C ATOM 323 C SER A 21 -2.691 -24.556 -22.683 1.00 5.54 C ATOM 324 O SER A 21 -3.779 -24.017 -22.882 1.00 35.30 O ATOM 325 CB SER A 21 -1.761 -22.597 -21.434 1.00 52.32 C ATOM 326 OG SER A 21 -0.637 -21.758 -21.233 1.00 63.23 O ATOM 0 H SER A 21 -1.448 -22.380 -24.034 1.00 13.12 H new ATOM 0 HA SER A 21 -0.678 -24.368 -21.988 1.00 44.45 H new ATOM 0 HB2 SER A 21 -2.597 -22.006 -21.809 1.00 52.32 H new ATOM 0 HB3 SER A 21 -2.075 -23.024 -20.481 1.00 52.32 H new ATOM 0 HG SER A 21 -0.329 -21.841 -20.306 1.00 63.23 H new ATOM 332 N SER A 22 -2.525 -25.874 -22.680 1.00 21.32 N ATOM 333 CA SER A 22 -3.638 -26.785 -22.920 1.00 70.12 C ATOM 334 C SER A 22 -3.884 -27.675 -21.705 1.00 53.53 C ATOM 335 O SER A 22 -5.028 -27.973 -21.362 1.00 52.32 O ATOM 336 CB SER A 22 -3.360 -27.650 -24.152 1.00 15.45 C ATOM 337 OG SER A 22 -4.550 -28.255 -24.628 1.00 42.02 O ATOM 0 H SER A 22 -1.631 -26.335 -22.514 1.00 21.32 H new ATOM 0 HA SER A 22 -4.532 -26.188 -23.098 1.00 70.12 H new ATOM 0 HB2 SER A 22 -2.920 -27.037 -24.939 1.00 15.45 H new ATOM 0 HB3 SER A 22 -2.631 -28.421 -23.902 1.00 15.45 H new ATOM 0 HG SER A 22 -4.347 -28.801 -25.416 1.00 42.02 H new ATOM 343 N SER A 23 -2.802 -28.095 -21.059 1.00 21.05 N ATOM 344 CA SER A 23 -2.899 -28.954 -19.884 1.00 4.20 C ATOM 345 C SER A 23 -3.544 -28.210 -18.719 1.00 12.11 C ATOM 346 O SER A 23 -4.088 -27.118 -18.888 1.00 43.20 O ATOM 347 CB SER A 23 -1.512 -29.456 -19.478 1.00 1.04 C ATOM 348 OG SER A 23 -1.590 -30.732 -18.867 1.00 34.15 O ATOM 0 H SER A 23 -1.848 -27.855 -21.329 1.00 21.05 H new ATOM 0 HA SER A 23 -3.527 -29.808 -20.139 1.00 4.20 H new ATOM 0 HB2 SER A 23 -0.869 -29.509 -20.357 1.00 1.04 H new ATOM 0 HB3 SER A 23 -1.052 -28.747 -18.789 1.00 1.04 H new ATOM 0 HG SER A 23 -0.691 -31.031 -18.618 1.00 34.15 H new ATOM 354 N THR A 24 -3.481 -28.810 -17.534 1.00 2.40 N ATOM 355 CA THR A 24 -4.059 -28.206 -16.340 1.00 73.31 C ATOM 356 C THR A 24 -3.371 -26.889 -16.001 1.00 52.12 C ATOM 357 O THR A 24 -3.557 -26.342 -14.914 1.00 23.33 O ATOM 358 CB THR A 24 -3.959 -29.152 -15.128 1.00 42.50 C ATOM 359 OG1 THR A 24 -2.589 -29.312 -14.744 1.00 4.20 O ATOM 360 CG2 THR A 24 -4.563 -30.510 -15.450 1.00 22.12 C ATOM 0 H THR A 24 -3.035 -29.714 -17.376 1.00 2.40 H new ATOM 0 HA THR A 24 -5.110 -28.017 -16.559 1.00 73.31 H new ATOM 0 HB THR A 24 -4.518 -28.711 -14.303 1.00 42.50 H new ATOM 0 HG1 THR A 24 -2.534 -29.913 -13.972 1.00 4.20 H new ATOM 0 HG21 THR A 24 -4.481 -31.161 -14.579 1.00 22.12 H new ATOM 0 HG22 THR A 24 -5.614 -30.388 -15.714 1.00 22.12 H new ATOM 0 HG23 THR A 24 -4.028 -30.957 -16.288 1.00 22.12 H new ATOM 368 N TYR A 25 -2.577 -26.384 -16.938 1.00 51.45 N ATOM 369 CA TYR A 25 -1.860 -25.130 -16.738 1.00 23.20 C ATOM 370 C TYR A 25 -2.659 -24.181 -15.850 1.00 42.03 C ATOM 371 O TYR A 25 -2.191 -23.760 -14.792 1.00 11.02 O ATOM 372 CB TYR A 25 -1.568 -24.464 -18.084 1.00 15.03 C ATOM 373 CG TYR A 25 -1.190 -23.005 -17.968 1.00 1.33 C ATOM 374 CD1 TYR A 25 -2.163 -22.024 -17.822 1.00 14.13 C ATOM 375 CD2 TYR A 25 0.141 -22.607 -18.005 1.00 54.40 C ATOM 376 CE1 TYR A 25 -1.822 -20.689 -17.716 1.00 74.30 C ATOM 377 CE2 TYR A 25 0.491 -21.275 -17.899 1.00 12.44 C ATOM 378 CZ TYR A 25 -0.494 -20.320 -17.754 1.00 51.25 C ATOM 379 OH TYR A 25 -0.149 -18.992 -17.650 1.00 14.35 O ATOM 0 H TYR A 25 -2.413 -26.824 -17.844 1.00 51.45 H new ATOM 0 HA TYR A 25 -0.917 -25.356 -16.241 1.00 23.20 H new ATOM 0 HB2 TYR A 25 -0.759 -25.002 -18.578 1.00 15.03 H new ATOM 0 HB3 TYR A 25 -2.447 -24.553 -18.722 1.00 15.03 H new ATOM 0 HD1 TYR A 25 -3.204 -22.310 -17.791 1.00 14.13 H new ATOM 0 HD2 TYR A 25 0.915 -23.352 -18.119 1.00 54.40 H new ATOM 0 HE1 TYR A 25 -2.591 -19.939 -17.604 1.00 74.30 H new ATOM 0 HE2 TYR A 25 1.530 -20.983 -17.929 1.00 12.44 H new ATOM 0 HH TYR A 25 -0.570 -18.487 -18.377 1.00 14.35 H new ATOM 389 N CYS A 26 -3.868 -23.848 -16.289 1.00 70.32 N ATOM 390 CA CYS A 26 -4.735 -22.949 -15.537 1.00 24.33 C ATOM 391 C CYS A 26 -4.972 -23.477 -14.125 1.00 24.42 C ATOM 392 O CYS A 26 -4.765 -22.766 -13.142 1.00 71.34 O ATOM 393 CB CYS A 26 -6.072 -22.774 -16.258 1.00 52.45 C ATOM 394 SG CYS A 26 -6.052 -21.502 -17.563 1.00 1.35 S ATOM 0 H CYS A 26 -4.270 -24.188 -17.163 1.00 70.32 H new ATOM 0 HA CYS A 26 -4.239 -21.981 -15.466 1.00 24.33 H new ATOM 0 HB2 CYS A 26 -6.362 -23.727 -16.699 1.00 52.45 H new ATOM 0 HB3 CYS A 26 -6.837 -22.516 -15.525 1.00 52.45 H new ATOM 399 N ASN A 27 -5.406 -24.730 -14.033 1.00 32.03 N ATOM 400 CA ASN A 27 -5.672 -25.354 -12.742 1.00 2.15 C ATOM 401 C ASN A 27 -4.728 -24.813 -11.672 1.00 14.24 C ATOM 402 O ASN A 27 -5.156 -24.472 -10.569 1.00 42.10 O ATOM 403 CB ASN A 27 -5.525 -26.873 -12.846 1.00 23.31 C ATOM 404 CG ASN A 27 -5.817 -27.574 -11.533 1.00 60.02 C ATOM 405 OD1 ASN A 27 -6.134 -26.932 -10.531 1.00 64.53 O ATOM 406 ND2 ASN A 27 -5.711 -28.898 -11.533 1.00 54.20 N ATOM 0 H ASN A 27 -5.581 -25.333 -14.837 1.00 32.03 H new ATOM 0 HA ASN A 27 -6.696 -25.114 -12.454 1.00 2.15 H new ATOM 0 HB2 ASN A 27 -6.201 -27.249 -13.614 1.00 23.31 H new ATOM 0 HB3 ASN A 27 -4.512 -27.116 -13.167 1.00 23.31 H new ATOM 0 HD21 ASN A 27 -5.895 -29.424 -10.679 1.00 54.20 H new ATOM 0 HD22 ASN A 27 -5.445 -29.388 -12.387 1.00 54.20 H new ATOM 413 N GLN A 28 -3.444 -24.737 -12.006 1.00 53.12 N ATOM 414 CA GLN A 28 -2.441 -24.237 -11.074 1.00 23.32 C ATOM 415 C GLN A 28 -2.427 -22.712 -11.054 1.00 73.41 C ATOM 416 O GLN A 28 -2.685 -22.093 -10.022 1.00 74.24 O ATOM 417 CB GLN A 28 -1.056 -24.767 -11.451 1.00 2.55 C ATOM 418 CG GLN A 28 -0.710 -26.090 -10.788 1.00 65.32 C ATOM 419 CD GLN A 28 -1.805 -27.126 -10.945 1.00 55.24 C ATOM 420 OE1 GLN A 28 -2.796 -27.115 -10.214 1.00 3.44 O ATOM 421 NE2 GLN A 28 -1.634 -28.029 -11.904 1.00 11.22 N ATOM 0 H GLN A 28 -3.074 -25.015 -12.915 1.00 53.12 H new ATOM 0 HA GLN A 28 -2.700 -24.592 -10.076 1.00 23.32 H new ATOM 0 HB2 GLN A 28 -1.005 -24.888 -12.533 1.00 2.55 H new ATOM 0 HB3 GLN A 28 -0.305 -24.026 -11.177 1.00 2.55 H new ATOM 0 HG2 GLN A 28 0.214 -26.476 -11.217 1.00 65.32 H new ATOM 0 HG3 GLN A 28 -0.523 -25.922 -9.727 1.00 65.32 H new ATOM 0 HE21 GLN A 28 -0.798 -28.002 -12.487 1.00 11.22 H new ATOM 0 HE22 GLN A 28 -2.339 -28.750 -12.057 1.00 11.22 H new ATOM 430 N MET A 29 -2.124 -22.113 -12.201 1.00 73.41 N ATOM 431 CA MET A 29 -2.078 -20.660 -12.315 1.00 71.20 C ATOM 432 C MET A 29 -3.092 -20.009 -11.380 1.00 31.13 C ATOM 433 O MET A 29 -2.721 -19.376 -10.392 1.00 14.21 O ATOM 434 CB MET A 29 -2.349 -20.232 -13.758 1.00 54.53 C ATOM 435 CG MET A 29 -1.316 -20.744 -14.749 1.00 14.12 C ATOM 436 SD MET A 29 0.308 -20.975 -14.001 1.00 71.21 S ATOM 437 CE MET A 29 0.819 -19.274 -13.769 1.00 64.45 C ATOM 0 H MET A 29 -1.907 -22.611 -13.064 1.00 73.41 H new ATOM 0 HA MET A 29 -1.080 -20.329 -12.027 1.00 71.20 H new ATOM 0 HB2 MET A 29 -3.334 -20.590 -14.055 1.00 54.53 H new ATOM 0 HB3 MET A 29 -2.378 -19.143 -13.806 1.00 54.53 H new ATOM 0 HG2 MET A 29 -1.657 -21.691 -15.167 1.00 14.12 H new ATOM 0 HG3 MET A 29 -1.233 -20.041 -15.578 1.00 14.12 H new ATOM 0 HE1 MET A 29 1.869 -19.169 -14.043 1.00 64.45 H new ATOM 0 HE2 MET A 29 0.213 -18.623 -14.399 1.00 64.45 H new ATOM 0 HE3 MET A 29 0.687 -18.994 -12.724 1.00 64.45 H new ATOM 447 N MET A 30 -4.372 -20.169 -11.698 1.00 73.24 N ATOM 448 CA MET A 30 -5.439 -19.597 -10.885 1.00 71.12 C ATOM 449 C MET A 30 -5.132 -19.752 -9.399 1.00 35.00 C ATOM 450 O MET A 30 -5.405 -18.854 -8.603 1.00 2.54 O ATOM 451 CB MET A 30 -6.775 -20.266 -11.215 1.00 11.24 C ATOM 452 CG MET A 30 -7.598 -19.506 -12.243 1.00 65.40 C ATOM 453 SD MET A 30 -8.507 -18.126 -11.523 1.00 33.20 S ATOM 454 CE MET A 30 -7.421 -16.759 -11.924 1.00 35.25 C ATOM 0 H MET A 30 -4.696 -20.690 -12.513 1.00 73.24 H new ATOM 0 HA MET A 30 -5.507 -18.534 -11.115 1.00 71.12 H new ATOM 0 HB2 MET A 30 -6.586 -21.273 -11.586 1.00 11.24 H new ATOM 0 HB3 MET A 30 -7.357 -20.368 -10.299 1.00 11.24 H new ATOM 0 HG2 MET A 30 -6.938 -19.132 -13.026 1.00 65.40 H new ATOM 0 HG3 MET A 30 -8.301 -20.191 -12.718 1.00 65.40 H new ATOM 0 HE1 MET A 30 -7.897 -15.821 -11.639 1.00 35.25 H new ATOM 0 HE2 MET A 30 -6.482 -16.869 -11.382 1.00 35.25 H new ATOM 0 HE3 MET A 30 -7.223 -16.754 -12.996 1.00 35.25 H new ATOM 464 N ARG A 31 -4.565 -20.897 -9.033 1.00 11.44 N ATOM 465 CA ARG A 31 -4.223 -21.169 -7.642 1.00 13.03 C ATOM 466 C ARG A 31 -2.962 -20.413 -7.234 1.00 14.34 C ATOM 467 O ARG A 31 -2.995 -19.571 -6.336 1.00 42.20 O ATOM 468 CB ARG A 31 -4.022 -22.670 -7.428 1.00 62.44 C ATOM 469 CG ARG A 31 -5.203 -23.514 -7.880 1.00 50.42 C ATOM 470 CD ARG A 31 -4.813 -24.974 -8.049 1.00 41.44 C ATOM 471 NE ARG A 31 -4.719 -25.667 -6.768 1.00 32.24 N ATOM 472 CZ ARG A 31 -4.431 -26.959 -6.650 1.00 53.32 C ATOM 473 NH1 ARG A 31 -4.210 -27.693 -7.732 1.00 4.13 N ATOM 474 NH2 ARG A 31 -4.364 -27.518 -5.449 1.00 31.11 N ATOM 0 H ARG A 31 -4.333 -21.651 -9.680 1.00 11.44 H new ATOM 0 HA ARG A 31 -5.049 -20.827 -7.018 1.00 13.03 H new ATOM 0 HB2 ARG A 31 -3.131 -22.989 -7.968 1.00 62.44 H new ATOM 0 HB3 ARG A 31 -3.837 -22.856 -6.370 1.00 62.44 H new ATOM 0 HG2 ARG A 31 -6.009 -23.434 -7.151 1.00 50.42 H new ATOM 0 HG3 ARG A 31 -5.588 -23.128 -8.824 1.00 50.42 H new ATOM 0 HD2 ARG A 31 -5.548 -25.475 -8.679 1.00 41.44 H new ATOM 0 HD3 ARG A 31 -3.855 -25.036 -8.566 1.00 41.44 H new ATOM 0 HE ARG A 31 -4.883 -25.130 -5.916 1.00 32.24 H new ATOM 0 HH11 ARG A 31 -4.261 -27.266 -8.657 1.00 4.13 H new ATOM 0 HH12 ARG A 31 -3.989 -28.684 -7.639 1.00 4.13 H new ATOM 0 HH21 ARG A 31 -4.534 -26.956 -4.615 1.00 31.11 H new ATOM 0 HH22 ARG A 31 -4.143 -28.510 -5.360 1.00 31.11 H new ATOM 488 N ARG A 32 -1.853 -20.720 -7.898 1.00 53.45 N ATOM 489 CA ARG A 32 -0.582 -20.070 -7.604 1.00 25.52 C ATOM 490 C ARG A 32 -0.765 -18.564 -7.442 1.00 65.21 C ATOM 491 O ARG A 32 0.048 -17.895 -6.804 1.00 23.22 O ATOM 492 CB ARG A 32 0.430 -20.356 -8.715 1.00 45.40 C ATOM 493 CG ARG A 32 1.641 -21.147 -8.248 1.00 3.23 C ATOM 494 CD ARG A 32 2.663 -20.251 -7.565 1.00 51.55 C ATOM 495 NE ARG A 32 3.905 -20.156 -8.329 1.00 35.34 N ATOM 496 CZ ARG A 32 5.059 -19.756 -7.807 1.00 60.42 C ATOM 497 NH1 ARG A 32 5.130 -19.416 -6.528 1.00 12.22 N ATOM 498 NH2 ARG A 32 6.146 -19.697 -8.566 1.00 71.10 N ATOM 0 H ARG A 32 -1.809 -21.415 -8.643 1.00 53.45 H new ATOM 0 HA ARG A 32 -0.204 -20.475 -6.665 1.00 25.52 H new ATOM 0 HB2 ARG A 32 -0.067 -20.906 -9.514 1.00 45.40 H new ATOM 0 HB3 ARG A 32 0.766 -19.411 -9.140 1.00 45.40 H new ATOM 0 HG2 ARG A 32 1.322 -21.929 -7.558 1.00 3.23 H new ATOM 0 HG3 ARG A 32 2.103 -21.644 -9.101 1.00 3.23 H new ATOM 0 HD2 ARG A 32 2.241 -19.255 -7.434 1.00 51.55 H new ATOM 0 HD3 ARG A 32 2.878 -20.640 -6.570 1.00 51.55 H new ATOM 0 HE ARG A 32 3.885 -20.411 -9.316 1.00 35.34 H new ATOM 0 HH11 ARG A 32 4.297 -19.461 -5.941 1.00 12.22 H new ATOM 0 HH12 ARG A 32 6.018 -19.109 -6.130 1.00 12.22 H new ATOM 0 HH21 ARG A 32 6.095 -19.959 -9.551 1.00 71.10 H new ATOM 0 HH22 ARG A 32 7.032 -19.390 -8.165 1.00 71.10 H new ATOM 512 N ARG A 33 -1.837 -18.038 -8.025 1.00 4.31 N ATOM 513 CA ARG A 33 -2.125 -16.611 -7.947 1.00 13.22 C ATOM 514 C ARG A 33 -2.814 -16.267 -6.629 1.00 42.33 C ATOM 515 O ARG A 33 -3.429 -15.210 -6.497 1.00 0.42 O ATOM 516 CB ARG A 33 -3.006 -16.182 -9.122 1.00 2.10 C ATOM 517 CG ARG A 33 -2.304 -16.256 -10.468 1.00 62.40 C ATOM 518 CD ARG A 33 -1.394 -15.058 -10.689 1.00 54.22 C ATOM 519 NE ARG A 33 -0.042 -15.459 -11.068 1.00 74.23 N ATOM 520 CZ ARG A 33 0.792 -14.681 -11.749 1.00 13.12 C ATOM 521 NH1 ARG A 33 0.414 -13.466 -12.123 1.00 22.14 N ATOM 522 NH2 ARG A 33 2.006 -15.117 -12.056 1.00 65.23 N ATOM 0 H ARG A 33 -2.520 -18.578 -8.556 1.00 4.31 H new ATOM 0 HA ARG A 33 -1.179 -16.072 -7.995 1.00 13.22 H new ATOM 0 HB2 ARG A 33 -3.894 -16.814 -9.149 1.00 2.10 H new ATOM 0 HB3 ARG A 33 -3.347 -15.160 -8.955 1.00 2.10 H new ATOM 0 HG2 ARG A 33 -1.719 -17.174 -10.524 1.00 62.40 H new ATOM 0 HG3 ARG A 33 -3.047 -16.302 -11.265 1.00 62.40 H new ATOM 0 HD2 ARG A 33 -1.815 -14.422 -11.468 1.00 54.22 H new ATOM 0 HD3 ARG A 33 -1.353 -14.461 -9.778 1.00 54.22 H new ATOM 0 HE ARG A 33 0.280 -16.388 -10.795 1.00 74.23 H new ATOM 0 HH11 ARG A 33 -0.519 -13.127 -11.888 1.00 22.14 H new ATOM 0 HH12 ARG A 33 1.056 -12.870 -12.646 1.00 22.14 H new ATOM 0 HH21 ARG A 33 2.300 -16.051 -11.769 1.00 65.23 H new ATOM 0 HH22 ARG A 33 2.646 -14.519 -12.579 1.00 65.23 H new ATOM 536 N ASN A 34 -2.706 -17.168 -5.658 1.00 44.51 N ATOM 537 CA ASN A 34 -3.319 -16.960 -4.351 1.00 42.12 C ATOM 538 C ASN A 34 -4.807 -16.655 -4.491 1.00 32.11 C ATOM 539 O ASN A 34 -5.340 -15.785 -3.803 1.00 31.23 O ATOM 540 CB ASN A 34 -2.620 -15.817 -3.613 1.00 2.34 C ATOM 541 CG ASN A 34 -1.155 -16.109 -3.349 1.00 52.42 C ATOM 542 OD1 ASN A 34 -0.381 -16.344 -4.277 1.00 41.51 O ATOM 543 ND2 ASN A 34 -0.769 -16.095 -2.079 1.00 24.21 N ATOM 0 H ASN A 34 -2.200 -18.049 -5.751 1.00 44.51 H new ATOM 0 HA ASN A 34 -3.207 -17.878 -3.774 1.00 42.12 H new ATOM 0 HB2 ASN A 34 -2.705 -14.903 -4.201 1.00 2.34 H new ATOM 0 HB3 ASN A 34 -3.128 -15.635 -2.666 1.00 2.34 H new ATOM 0 HD21 ASN A 34 0.204 -16.284 -1.840 1.00 24.21 H new ATOM 0 HD22 ASN A 34 -1.446 -15.895 -1.342 1.00 24.21 H new ATOM 550 N MET A 35 -5.472 -17.378 -5.386 1.00 71.12 N ATOM 551 CA MET A 35 -6.900 -17.186 -5.615 1.00 25.22 C ATOM 552 C MET A 35 -7.686 -18.433 -5.222 1.00 25.01 C ATOM 553 O MET A 35 -8.917 -18.429 -5.222 1.00 31.33 O ATOM 554 CB MET A 35 -7.161 -16.846 -7.083 1.00 54.31 C ATOM 555 CG MET A 35 -7.491 -15.380 -7.318 1.00 33.53 C ATOM 556 SD MET A 35 -6.203 -14.273 -6.713 1.00 33.11 S ATOM 557 CE MET A 35 -7.190 -13.016 -5.904 1.00 30.00 C ATOM 0 H MET A 35 -5.046 -18.102 -5.964 1.00 71.12 H new ATOM 0 HA MET A 35 -7.234 -16.356 -4.992 1.00 25.22 H new ATOM 0 HB2 MET A 35 -6.282 -17.111 -7.671 1.00 54.31 H new ATOM 0 HB3 MET A 35 -7.985 -17.459 -7.448 1.00 54.31 H new ATOM 0 HG2 MET A 35 -7.638 -15.211 -8.385 1.00 33.53 H new ATOM 0 HG3 MET A 35 -8.433 -15.140 -6.824 1.00 33.53 H new ATOM 0 HE1 MET A 35 -6.534 -12.257 -5.478 1.00 30.00 H new ATOM 0 HE2 MET A 35 -7.857 -12.553 -6.631 1.00 30.00 H new ATOM 0 HE3 MET A 35 -7.781 -13.472 -5.110 1.00 30.00 H new ATOM 567 N THR A 36 -6.966 -19.500 -4.888 1.00 11.14 N ATOM 568 CA THR A 36 -7.596 -20.754 -4.494 1.00 51.14 C ATOM 569 C THR A 36 -7.232 -21.127 -3.062 1.00 4.10 C ATOM 570 O THR A 36 -7.381 -22.278 -2.654 1.00 63.44 O ATOM 571 CB THR A 36 -7.188 -21.906 -5.432 1.00 54.23 C ATOM 572 OG1 THR A 36 -5.777 -22.131 -5.347 1.00 1.12 O ATOM 573 CG2 THR A 36 -7.571 -21.593 -6.871 1.00 70.31 C ATOM 0 H THR A 36 -5.946 -19.520 -4.883 1.00 11.14 H new ATOM 0 HA THR A 36 -8.673 -20.602 -4.564 1.00 51.14 H new ATOM 0 HB THR A 36 -7.718 -22.805 -5.119 1.00 54.23 H new ATOM 0 HG1 THR A 36 -5.609 -23.066 -5.105 1.00 1.12 H new ATOM 0 HG21 THR A 36 -7.273 -22.420 -7.515 1.00 70.31 H new ATOM 0 HG22 THR A 36 -8.650 -21.451 -6.938 1.00 70.31 H new ATOM 0 HG23 THR A 36 -7.065 -20.683 -7.192 1.00 70.31 H new ATOM 581 N GLN A 37 -6.754 -20.146 -2.303 1.00 51.32 N ATOM 582 CA GLN A 37 -6.369 -20.372 -0.915 1.00 64.54 C ATOM 583 C GLN A 37 -7.599 -20.532 -0.028 1.00 25.12 C ATOM 584 O GLN A 37 -7.618 -21.362 0.880 1.00 61.31 O ATOM 585 CB GLN A 37 -5.506 -19.216 -0.408 1.00 44.21 C ATOM 586 CG GLN A 37 -4.032 -19.360 -0.752 1.00 1.00 C ATOM 587 CD GLN A 37 -3.328 -20.384 0.116 1.00 63.44 C ATOM 588 OE1 GLN A 37 -3.437 -20.357 1.342 1.00 40.32 O ATOM 589 NE2 GLN A 37 -2.599 -21.297 -0.518 1.00 14.54 N ATOM 0 H GLN A 37 -6.624 -19.187 -2.626 1.00 51.32 H new ATOM 0 HA GLN A 37 -5.790 -21.294 -0.871 1.00 64.54 H new ATOM 0 HB2 GLN A 37 -5.879 -18.283 -0.830 1.00 44.21 H new ATOM 0 HB3 GLN A 37 -5.612 -19.142 0.674 1.00 44.21 H new ATOM 0 HG2 GLN A 37 -3.933 -19.647 -1.799 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -3.540 -18.394 -0.639 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -2.536 -21.282 -1.536 1.00 14.54 H new ATOM 0 HE22 GLN A 37 -2.102 -22.012 0.013 1.00 14.54 H new ATOM 598 N GLY A 38 -8.625 -19.730 -0.297 1.00 25.05 N ATOM 599 CA GLY A 38 -9.844 -19.798 0.487 1.00 52.10 C ATOM 600 C GLY A 38 -10.876 -20.723 -0.126 1.00 74.13 C ATOM 601 O GLY A 38 -11.360 -21.646 0.529 1.00 31.05 O ATOM 0 H GLY A 38 -8.633 -19.035 -1.043 1.00 25.05 H new ATOM 0 HA2 GLY A 38 -9.606 -20.141 1.494 1.00 52.10 H new ATOM 0 HA3 GLY A 38 -10.268 -18.798 0.582 1.00 52.10 H new ATOM 605 N ARG A 39 -11.216 -20.475 -1.387 1.00 72.30 N ATOM 606 CA ARG A 39 -12.200 -21.292 -2.088 1.00 12.43 C ATOM 607 C ARG A 39 -11.723 -21.627 -3.498 1.00 15.21 C ATOM 608 O ARG A 39 -10.670 -21.163 -3.936 1.00 13.44 O ATOM 609 CB ARG A 39 -13.545 -20.565 -2.152 1.00 3.24 C ATOM 610 CG ARG A 39 -13.818 -19.683 -0.944 1.00 52.44 C ATOM 611 CD ARG A 39 -15.186 -19.967 -0.345 1.00 34.21 C ATOM 612 NE ARG A 39 -15.121 -20.968 0.717 1.00 75.14 N ATOM 613 CZ ARG A 39 -16.193 -21.460 1.329 1.00 5.14 C ATOM 614 NH1 ARG A 39 -17.405 -21.046 0.988 1.00 43.35 N ATOM 615 NH2 ARG A 39 -16.052 -22.369 2.286 1.00 12.42 N ATOM 0 H ARG A 39 -10.825 -19.715 -1.944 1.00 72.30 H new ATOM 0 HA ARG A 39 -12.324 -22.223 -1.534 1.00 12.43 H new ATOM 0 HB2 ARG A 39 -13.575 -19.952 -3.053 1.00 3.24 H new ATOM 0 HB3 ARG A 39 -14.343 -21.302 -2.241 1.00 3.24 H new ATOM 0 HG2 ARG A 39 -13.048 -19.848 -0.190 1.00 52.44 H new ATOM 0 HG3 ARG A 39 -13.758 -18.635 -1.237 1.00 52.44 H new ATOM 0 HD2 ARG A 39 -15.607 -19.043 0.053 1.00 34.21 H new ATOM 0 HD3 ARG A 39 -15.860 -20.313 -1.129 1.00 34.21 H new ATOM 0 HE ARG A 39 -14.203 -21.308 1.004 1.00 75.14 H new ATOM 0 HH11 ARG A 39 -17.517 -20.347 0.253 1.00 43.35 H new ATOM 0 HH12 ARG A 39 -18.225 -21.426 1.460 1.00 43.35 H new ATOM 0 HH21 ARG A 39 -15.121 -22.690 2.552 1.00 12.42 H new ATOM 0 HH22 ARG A 39 -16.875 -22.747 2.756 1.00 12.42 H new ATOM 629 N CYS A 40 -12.505 -22.436 -4.204 1.00 74.15 N ATOM 630 CA CYS A 40 -12.164 -22.835 -5.565 1.00 10.05 C ATOM 631 C CYS A 40 -12.816 -21.905 -6.584 1.00 33.41 C ATOM 632 O CYS A 40 -14.042 -21.831 -6.678 1.00 44.51 O ATOM 633 CB CYS A 40 -12.602 -24.278 -5.820 1.00 74.33 C ATOM 634 SG CYS A 40 -11.225 -25.429 -6.134 1.00 35.13 S ATOM 0 H CYS A 40 -13.380 -22.829 -3.856 1.00 74.15 H new ATOM 0 HA CYS A 40 -11.082 -22.766 -5.677 1.00 10.05 H new ATOM 0 HB2 CYS A 40 -13.168 -24.632 -4.958 1.00 74.33 H new ATOM 0 HB3 CYS A 40 -13.278 -24.295 -6.675 1.00 74.33 H new ATOM 639 N LYS A 41 -11.989 -21.198 -7.346 1.00 63.50 N ATOM 640 CA LYS A 41 -12.483 -20.275 -8.360 1.00 43.41 C ATOM 641 C LYS A 41 -13.438 -20.978 -9.318 1.00 75.41 C ATOM 642 O LYS A 41 -13.142 -22.045 -9.857 1.00 1.10 O ATOM 643 CB LYS A 41 -11.314 -19.670 -9.142 1.00 22.15 C ATOM 644 CG LYS A 41 -11.581 -18.261 -9.643 1.00 20.43 C ATOM 645 CD LYS A 41 -11.801 -17.293 -8.493 1.00 12.12 C ATOM 646 CE LYS A 41 -10.658 -16.296 -8.377 1.00 32.11 C ATOM 647 NZ LYS A 41 -10.768 -15.207 -9.386 1.00 42.32 N ATOM 0 H LYS A 41 -10.972 -21.247 -7.280 1.00 63.50 H new ATOM 0 HA LYS A 41 -13.026 -19.477 -7.854 1.00 43.41 H new ATOM 0 HB2 LYS A 41 -10.429 -19.659 -8.505 1.00 22.15 H new ATOM 0 HB3 LYS A 41 -11.086 -20.312 -9.993 1.00 22.15 H new ATOM 0 HG2 LYS A 41 -10.740 -17.923 -10.248 1.00 20.43 H new ATOM 0 HG3 LYS A 41 -12.458 -18.264 -10.290 1.00 20.43 H new ATOM 0 HD2 LYS A 41 -12.739 -16.757 -8.641 1.00 12.12 H new ATOM 0 HD3 LYS A 41 -11.896 -17.850 -7.561 1.00 12.12 H new ATOM 0 HE2 LYS A 41 -10.653 -15.865 -7.376 1.00 32.11 H new ATOM 0 HE3 LYS A 41 -9.708 -16.816 -8.505 1.00 32.11 H new ATOM 0 HZ1 LYS A 41 -9.910 -15.190 -9.973 1.00 42.32 H new ATOM 0 HZ2 LYS A 41 -11.598 -15.376 -9.990 1.00 42.32 H new ATOM 0 HZ3 LYS A 41 -10.874 -14.293 -8.901 1.00 42.32 H new ATOM 661 N PRO A 42 -14.613 -20.369 -9.538 1.00 0.13 N ATOM 662 CA PRO A 42 -15.635 -20.919 -10.433 1.00 40.12 C ATOM 663 C PRO A 42 -15.217 -20.856 -11.898 1.00 42.22 C ATOM 664 O PRO A 42 -15.322 -21.842 -12.627 1.00 70.14 O ATOM 665 CB PRO A 42 -16.847 -20.018 -10.184 1.00 11.02 C ATOM 666 CG PRO A 42 -16.270 -18.731 -9.703 1.00 32.41 C ATOM 667 CD PRO A 42 -15.033 -19.096 -8.929 1.00 54.42 C ATOM 0 HA PRO A 42 -15.824 -21.974 -10.236 1.00 40.12 H new ATOM 0 HB2 PRO A 42 -17.428 -19.875 -11.095 1.00 11.02 H new ATOM 0 HB3 PRO A 42 -17.518 -20.453 -9.443 1.00 11.02 H new ATOM 0 HG2 PRO A 42 -16.028 -18.075 -10.539 1.00 32.41 H new ATOM 0 HG3 PRO A 42 -16.981 -18.196 -9.073 1.00 32.41 H new ATOM 0 HD2 PRO A 42 -14.261 -18.332 -9.022 1.00 54.42 H new ATOM 0 HD3 PRO A 42 -15.243 -19.209 -7.865 1.00 54.42 H new ATOM 675 N VAL A 43 -14.741 -19.689 -12.324 1.00 35.55 N ATOM 676 CA VAL A 43 -14.306 -19.498 -13.702 1.00 23.33 C ATOM 677 C VAL A 43 -13.367 -18.303 -13.820 1.00 64.24 C ATOM 678 O VAL A 43 -13.364 -17.416 -12.968 1.00 24.42 O ATOM 679 CB VAL A 43 -15.505 -19.291 -14.646 1.00 2.21 C ATOM 680 CG1 VAL A 43 -15.042 -19.243 -16.094 1.00 73.11 C ATOM 681 CG2 VAL A 43 -16.538 -20.389 -14.443 1.00 40.24 C ATOM 0 H VAL A 43 -14.647 -18.862 -11.734 1.00 35.55 H new ATOM 0 HA VAL A 43 -13.776 -20.404 -13.995 1.00 23.33 H new ATOM 0 HB VAL A 43 -15.973 -18.336 -14.408 1.00 2.21 H new ATOM 0 HG11 VAL A 43 -15.903 -19.096 -16.747 1.00 73.11 H new ATOM 0 HG12 VAL A 43 -14.342 -18.418 -16.225 1.00 73.11 H new ATOM 0 HG13 VAL A 43 -14.549 -20.181 -16.350 1.00 73.11 H new ATOM 0 HG21 VAL A 43 -17.378 -20.227 -15.118 1.00 40.24 H new ATOM 0 HG22 VAL A 43 -16.085 -21.358 -14.653 1.00 40.24 H new ATOM 0 HG23 VAL A 43 -16.892 -20.370 -13.412 1.00 40.24 H new ATOM 691 N ASN A 44 -12.571 -18.286 -14.885 1.00 24.55 N ATOM 692 CA ASN A 44 -11.626 -17.200 -15.115 1.00 40.55 C ATOM 693 C ASN A 44 -11.053 -17.268 -16.528 1.00 2.23 C ATOM 694 O ASN A 44 -11.315 -18.213 -17.272 1.00 32.31 O ATOM 695 CB ASN A 44 -10.492 -17.255 -14.090 1.00 12.24 C ATOM 696 CG ASN A 44 -10.327 -15.947 -13.340 1.00 3.02 C ATOM 697 OD1 ASN A 44 -9.324 -15.250 -13.498 1.00 71.43 O ATOM 698 ND2 ASN A 44 -11.313 -15.608 -12.517 1.00 44.13 N ATOM 0 H ASN A 44 -12.562 -19.012 -15.602 1.00 24.55 H new ATOM 0 HA ASN A 44 -12.161 -16.257 -15.003 1.00 40.55 H new ATOM 0 HB2 ASN A 44 -10.688 -18.057 -13.378 1.00 12.24 H new ATOM 0 HB3 ASN A 44 -9.559 -17.500 -14.597 1.00 12.24 H new ATOM 0 HD21 ASN A 44 -11.257 -14.740 -11.985 1.00 44.13 H new ATOM 0 HD22 ASN A 44 -12.126 -16.216 -12.417 1.00 44.13 H new ATOM 705 N THR A 45 -10.267 -16.259 -16.891 1.00 52.32 N ATOM 706 CA THR A 45 -9.657 -16.203 -18.213 1.00 62.24 C ATOM 707 C THR A 45 -8.396 -15.346 -18.201 1.00 70.45 C ATOM 708 O THR A 45 -8.468 -14.118 -18.156 1.00 34.24 O ATOM 709 CB THR A 45 -10.636 -15.641 -19.261 1.00 50.21 C ATOM 710 OG1 THR A 45 -11.888 -16.331 -19.182 1.00 12.15 O ATOM 711 CG2 THR A 45 -10.064 -15.777 -20.664 1.00 74.02 C ATOM 0 H THR A 45 -10.038 -15.469 -16.287 1.00 52.32 H new ATOM 0 HA THR A 45 -9.395 -17.226 -18.483 1.00 62.24 H new ATOM 0 HB THR A 45 -10.791 -14.583 -19.050 1.00 50.21 H new ATOM 0 HG1 THR A 45 -12.505 -15.967 -19.850 1.00 12.15 H new ATOM 0 HG21 THR A 45 -10.773 -15.373 -21.387 1.00 74.02 H new ATOM 0 HG22 THR A 45 -9.126 -15.226 -20.729 1.00 74.02 H new ATOM 0 HG23 THR A 45 -9.883 -16.829 -20.883 1.00 74.02 H new ATOM 719 N PHE A 46 -7.241 -16.002 -18.244 1.00 4.43 N ATOM 720 CA PHE A 46 -5.963 -15.299 -18.237 1.00 62.13 C ATOM 721 C PHE A 46 -5.754 -14.538 -19.543 1.00 60.14 C ATOM 722 O PHE A 46 -6.602 -14.569 -20.435 1.00 41.23 O ATOM 723 CB PHE A 46 -4.815 -16.287 -18.020 1.00 44.04 C ATOM 724 CG PHE A 46 -4.571 -16.615 -16.575 1.00 73.21 C ATOM 725 CD1 PHE A 46 -4.176 -15.631 -15.684 1.00 44.53 C ATOM 726 CD2 PHE A 46 -4.738 -17.909 -16.107 1.00 42.23 C ATOM 727 CE1 PHE A 46 -3.951 -15.929 -14.354 1.00 32.15 C ATOM 728 CE2 PHE A 46 -4.515 -18.213 -14.778 1.00 33.33 C ATOM 729 CZ PHE A 46 -4.120 -17.223 -13.900 1.00 13.40 C ATOM 0 H PHE A 46 -7.164 -17.018 -18.284 1.00 4.43 H new ATOM 0 HA PHE A 46 -5.976 -14.581 -17.417 1.00 62.13 H new ATOM 0 HB2 PHE A 46 -5.032 -17.208 -18.562 1.00 44.04 H new ATOM 0 HB3 PHE A 46 -3.903 -15.872 -18.449 1.00 44.04 H new ATOM 0 HD1 PHE A 46 -4.042 -14.618 -16.033 1.00 44.53 H new ATOM 0 HD2 PHE A 46 -5.046 -18.688 -16.789 1.00 42.23 H new ATOM 0 HE1 PHE A 46 -3.643 -15.152 -13.670 1.00 32.15 H new ATOM 0 HE2 PHE A 46 -4.650 -19.225 -14.426 1.00 33.33 H new ATOM 0 HZ PHE A 46 -3.944 -17.460 -12.861 1.00 13.40 H new ATOM 739 N VAL A 47 -4.619 -13.855 -19.648 1.00 44.31 N ATOM 740 CA VAL A 47 -4.297 -13.086 -20.844 1.00 42.33 C ATOM 741 C VAL A 47 -2.798 -13.107 -21.124 1.00 54.45 C ATOM 742 O VAL A 47 -1.989 -12.773 -20.258 1.00 51.34 O ATOM 743 CB VAL A 47 -4.763 -11.624 -20.714 1.00 12.41 C ATOM 744 CG1 VAL A 47 -4.013 -10.734 -21.693 1.00 62.24 C ATOM 745 CG2 VAL A 47 -6.265 -11.522 -20.932 1.00 73.51 C ATOM 0 H VAL A 47 -3.907 -13.818 -18.919 1.00 44.31 H new ATOM 0 HA VAL A 47 -4.826 -13.556 -21.674 1.00 42.33 H new ATOM 0 HB VAL A 47 -4.541 -11.280 -19.704 1.00 12.41 H new ATOM 0 HG11 VAL A 47 -4.356 -9.705 -21.586 1.00 62.24 H new ATOM 0 HG12 VAL A 47 -2.944 -10.784 -21.485 1.00 62.24 H new ATOM 0 HG13 VAL A 47 -4.200 -11.075 -22.711 1.00 62.24 H new ATOM 0 HG21 VAL A 47 -6.577 -10.482 -20.836 1.00 73.51 H new ATOM 0 HG22 VAL A 47 -6.513 -11.885 -21.929 1.00 73.51 H new ATOM 0 HG23 VAL A 47 -6.783 -12.126 -20.187 1.00 73.51 H new ATOM 755 N HIS A 48 -2.435 -13.501 -22.341 1.00 3.12 N ATOM 756 CA HIS A 48 -1.032 -13.564 -22.736 1.00 73.34 C ATOM 757 C HIS A 48 -0.557 -12.217 -23.271 1.00 1.54 C ATOM 758 O HIS A 48 0.626 -12.034 -23.554 1.00 5.44 O ATOM 759 CB HIS A 48 -0.828 -14.647 -23.797 1.00 11.14 C ATOM 760 CG HIS A 48 -0.853 -16.039 -23.244 1.00 2.31 C ATOM 761 ND1 HIS A 48 0.091 -16.514 -22.358 1.00 10.52 N ATOM 762 CD2 HIS A 48 -1.716 -17.060 -23.455 1.00 42.11 C ATOM 763 CE1 HIS A 48 -0.189 -17.767 -22.049 1.00 74.01 C ATOM 764 NE2 HIS A 48 -1.281 -18.123 -22.701 1.00 55.54 N ATOM 0 H HIS A 48 -3.092 -13.781 -23.069 1.00 3.12 H new ATOM 0 HA HIS A 48 -0.442 -13.813 -21.854 1.00 73.34 H new ATOM 0 HB2 HIS A 48 -1.605 -14.552 -24.555 1.00 11.14 H new ATOM 0 HB3 HIS A 48 0.127 -14.480 -24.296 1.00 11.14 H new ATOM 0 HD2 HIS A 48 -2.585 -17.042 -24.096 1.00 42.11 H new ATOM 0 HE1 HIS A 48 0.379 -18.394 -21.377 1.00 74.01 H new ATOM 0 HE2 HIS A 48 -1.729 -19.038 -22.653 1.00 55.54 H new ATOM 772 N GLU A 49 -1.488 -11.277 -23.406 1.00 61.31 N ATOM 773 CA GLU A 49 -1.163 -9.947 -23.908 1.00 21.31 C ATOM 774 C GLU A 49 -0.792 -9.009 -22.763 1.00 20.31 C ATOM 775 O GLU A 49 -1.335 -9.089 -21.661 1.00 12.11 O ATOM 776 CB GLU A 49 -2.344 -9.371 -24.692 1.00 30.04 C ATOM 777 CG GLU A 49 -2.051 -9.161 -26.168 1.00 4.45 C ATOM 778 CD GLU A 49 -1.309 -10.329 -26.787 1.00 61.02 C ATOM 779 OE1 GLU A 49 -0.061 -10.336 -26.733 1.00 74.45 O ATOM 780 OE2 GLU A 49 -1.977 -11.236 -27.326 1.00 21.51 O ATOM 0 H GLU A 49 -2.472 -11.412 -23.175 1.00 61.31 H new ATOM 0 HA GLU A 49 -0.304 -10.037 -24.573 1.00 21.31 H new ATOM 0 HB2 GLU A 49 -3.197 -10.042 -24.592 1.00 30.04 H new ATOM 0 HB3 GLU A 49 -2.633 -8.418 -24.249 1.00 30.04 H new ATOM 0 HG2 GLU A 49 -2.988 -9.007 -26.702 1.00 4.45 H new ATOM 0 HG3 GLU A 49 -1.460 -8.253 -26.292 1.00 4.45 H new ATOM 787 N PRO A 50 0.157 -8.099 -23.028 1.00 55.21 N ATOM 788 CA PRO A 50 0.622 -7.128 -22.033 1.00 41.14 C ATOM 789 C PRO A 50 -0.435 -6.077 -21.710 1.00 45.14 C ATOM 790 O PRO A 50 -1.268 -5.740 -22.553 1.00 4.01 O ATOM 791 CB PRO A 50 1.832 -6.479 -22.710 1.00 62.21 C ATOM 792 CG PRO A 50 1.584 -6.644 -24.170 1.00 35.23 C ATOM 793 CD PRO A 50 0.847 -7.947 -24.320 1.00 2.33 C ATOM 0 HA PRO A 50 0.853 -7.601 -21.079 1.00 41.14 H new ATOM 0 HB2 PRO A 50 1.919 -5.427 -22.440 1.00 62.21 H new ATOM 0 HB3 PRO A 50 2.761 -6.963 -22.409 1.00 62.21 H new ATOM 0 HG2 PRO A 50 0.995 -5.815 -24.562 1.00 35.23 H new ATOM 0 HG3 PRO A 50 2.521 -6.660 -24.726 1.00 35.23 H new ATOM 0 HD2 PRO A 50 0.142 -7.917 -25.151 1.00 2.33 H new ATOM 0 HD3 PRO A 50 1.530 -8.775 -24.511 1.00 2.33 H new ATOM 801 N LEU A 51 -0.395 -5.562 -20.487 1.00 1.43 N ATOM 802 CA LEU A 51 -1.349 -4.547 -20.052 1.00 73.44 C ATOM 803 C LEU A 51 -1.466 -3.431 -21.086 1.00 22.34 C ATOM 804 O LEU A 51 -2.522 -3.236 -21.688 1.00 65.41 O ATOM 805 CB LEU A 51 -0.926 -3.966 -18.702 1.00 54.22 C ATOM 806 CG LEU A 51 -1.963 -3.095 -17.992 1.00 53.32 C ATOM 807 CD1 LEU A 51 -3.168 -3.927 -17.582 1.00 15.51 C ATOM 808 CD2 LEU A 51 -1.346 -2.412 -16.780 1.00 74.21 C ATOM 0 H LEU A 51 0.288 -5.830 -19.778 1.00 1.43 H new ATOM 0 HA LEU A 51 -2.324 -5.022 -19.946 1.00 73.44 H new ATOM 0 HB2 LEU A 51 -0.660 -4.791 -18.041 1.00 54.22 H new ATOM 0 HB3 LEU A 51 -0.023 -3.373 -18.851 1.00 54.22 H new ATOM 0 HG LEU A 51 -2.299 -2.325 -18.686 1.00 53.32 H new ATOM 0 HD11 LEU A 51 -3.895 -3.290 -17.078 1.00 15.51 H new ATOM 0 HD12 LEU A 51 -3.624 -4.368 -18.468 1.00 15.51 H new ATOM 0 HD13 LEU A 51 -2.849 -4.720 -16.905 1.00 15.51 H new ATOM 0 HD21 LEU A 51 -2.098 -1.796 -16.287 1.00 74.21 H new ATOM 0 HD22 LEU A 51 -0.982 -3.167 -16.083 1.00 74.21 H new ATOM 0 HD23 LEU A 51 -0.516 -1.783 -17.100 1.00 74.21 H new ATOM 820 N VAL A 52 -0.373 -2.702 -21.287 1.00 41.01 N ATOM 821 CA VAL A 52 -0.351 -1.607 -22.250 1.00 30.40 C ATOM 822 C VAL A 52 -1.268 -1.898 -23.433 1.00 2.30 C ATOM 823 O VAL A 52 -2.030 -1.034 -23.868 1.00 3.13 O ATOM 824 CB VAL A 52 1.075 -1.347 -22.771 1.00 53.33 C ATOM 825 CG1 VAL A 52 1.584 -2.546 -23.556 1.00 51.03 C ATOM 826 CG2 VAL A 52 1.108 -0.088 -23.624 1.00 53.34 C ATOM 0 H VAL A 52 0.509 -2.850 -20.796 1.00 41.01 H new ATOM 0 HA VAL A 52 -0.707 -0.718 -21.728 1.00 30.40 H new ATOM 0 HB VAL A 52 1.734 -1.197 -21.916 1.00 53.33 H new ATOM 0 HG11 VAL A 52 2.593 -2.344 -23.916 1.00 51.03 H new ATOM 0 HG12 VAL A 52 1.599 -3.424 -22.910 1.00 51.03 H new ATOM 0 HG13 VAL A 52 0.926 -2.731 -24.405 1.00 51.03 H new ATOM 0 HG21 VAL A 52 2.123 0.081 -23.984 1.00 53.34 H new ATOM 0 HG22 VAL A 52 0.436 -0.207 -24.474 1.00 53.34 H new ATOM 0 HG23 VAL A 52 0.788 0.765 -23.026 1.00 53.34 H new ATOM 836 N ASP A 53 -1.189 -3.119 -23.949 1.00 71.13 N ATOM 837 CA ASP A 53 -2.013 -3.525 -25.082 1.00 12.01 C ATOM 838 C ASP A 53 -3.495 -3.347 -24.767 1.00 52.22 C ATOM 839 O ASP A 53 -4.199 -2.597 -25.444 1.00 44.03 O ATOM 840 CB ASP A 53 -1.729 -4.982 -25.451 1.00 1.13 C ATOM 841 CG ASP A 53 -1.302 -5.140 -26.897 1.00 33.42 C ATOM 842 OD1 ASP A 53 -0.357 -4.440 -27.317 1.00 74.12 O ATOM 843 OD2 ASP A 53 -1.913 -5.965 -27.608 1.00 23.41 O ATOM 0 H ASP A 53 -0.563 -3.845 -23.601 1.00 71.13 H new ATOM 0 HA ASP A 53 -1.761 -2.888 -25.930 1.00 12.01 H new ATOM 0 HB2 ASP A 53 -0.947 -5.373 -24.800 1.00 1.13 H new ATOM 0 HB3 ASP A 53 -2.622 -5.580 -25.272 1.00 1.13 H new ATOM 848 N VAL A 54 -3.964 -4.042 -23.736 1.00 23.13 N ATOM 849 CA VAL A 54 -5.362 -3.961 -23.331 1.00 11.11 C ATOM 850 C VAL A 54 -5.736 -2.538 -22.930 1.00 33.52 C ATOM 851 O VAL A 54 -6.869 -2.103 -23.136 1.00 62.20 O ATOM 852 CB VAL A 54 -5.662 -4.910 -22.155 1.00 51.14 C ATOM 853 CG1 VAL A 54 -6.971 -4.528 -21.481 1.00 72.15 C ATOM 854 CG2 VAL A 54 -5.700 -6.354 -22.633 1.00 50.41 C ATOM 0 H VAL A 54 -3.396 -4.668 -23.166 1.00 23.13 H new ATOM 0 HA VAL A 54 -5.959 -4.262 -24.192 1.00 11.11 H new ATOM 0 HB VAL A 54 -4.862 -4.815 -21.421 1.00 51.14 H new ATOM 0 HG11 VAL A 54 -7.166 -5.209 -20.653 1.00 72.15 H new ATOM 0 HG12 VAL A 54 -6.902 -3.508 -21.103 1.00 72.15 H new ATOM 0 HG13 VAL A 54 -7.785 -4.593 -22.203 1.00 72.15 H new ATOM 0 HG21 VAL A 54 -5.913 -7.011 -21.790 1.00 50.41 H new ATOM 0 HG22 VAL A 54 -6.479 -6.467 -23.387 1.00 50.41 H new ATOM 0 HG23 VAL A 54 -4.735 -6.620 -23.065 1.00 50.41 H new ATOM 864 N GLN A 55 -4.777 -1.819 -22.356 1.00 61.43 N ATOM 865 CA GLN A 55 -5.006 -0.445 -21.926 1.00 35.30 C ATOM 866 C GLN A 55 -5.483 0.417 -23.090 1.00 42.30 C ATOM 867 O GLN A 55 -6.449 1.168 -22.964 1.00 74.20 O ATOM 868 CB GLN A 55 -3.728 0.145 -21.328 1.00 61.34 C ATOM 869 CG GLN A 55 -3.112 -0.717 -20.238 1.00 62.44 C ATOM 870 CD GLN A 55 -2.617 0.098 -19.060 1.00 24.41 C ATOM 871 OE1 GLN A 55 -1.912 1.093 -19.231 1.00 14.12 O ATOM 872 NE2 GLN A 55 -2.983 -0.321 -17.854 1.00 71.43 N ATOM 0 H GLN A 55 -3.834 -2.165 -22.178 1.00 61.43 H new ATOM 0 HA GLN A 55 -5.784 -0.455 -21.163 1.00 35.30 H new ATOM 0 HB2 GLN A 55 -2.997 0.288 -22.124 1.00 61.34 H new ATOM 0 HB3 GLN A 55 -3.950 1.131 -20.918 1.00 61.34 H new ATOM 0 HG2 GLN A 55 -3.851 -1.439 -19.890 1.00 62.44 H new ATOM 0 HG3 GLN A 55 -2.282 -1.286 -20.656 1.00 62.44 H new ATOM 0 HE21 GLN A 55 -3.568 -1.151 -17.758 1.00 71.43 H new ATOM 0 HE22 GLN A 55 -2.679 0.187 -17.024 1.00 71.43 H new ATOM 881 N ASN A 56 -4.797 0.305 -24.223 1.00 31.30 N ATOM 882 CA ASN A 56 -5.150 1.075 -25.410 1.00 1.42 C ATOM 883 C ASN A 56 -6.628 0.907 -25.748 1.00 11.51 C ATOM 884 O ASN A 56 -7.233 1.772 -26.382 1.00 72.00 O ATOM 885 CB ASN A 56 -4.291 0.642 -26.599 1.00 63.51 C ATOM 886 CG ASN A 56 -2.917 1.284 -26.585 1.00 53.53 C ATOM 887 OD1 ASN A 56 -2.786 2.489 -26.366 1.00 24.33 O ATOM 888 ND2 ASN A 56 -1.886 0.482 -26.821 1.00 30.33 N ATOM 0 H ASN A 56 -3.994 -0.312 -24.344 1.00 31.30 H new ATOM 0 HA ASN A 56 -4.961 2.128 -25.199 1.00 1.42 H new ATOM 0 HB2 ASN A 56 -4.182 -0.443 -26.589 1.00 63.51 H new ATOM 0 HB3 ASN A 56 -4.801 0.903 -27.526 1.00 63.51 H new ATOM 0 HD21 ASN A 56 -0.938 0.858 -26.826 1.00 30.33 H new ATOM 0 HD22 ASN A 56 -2.042 -0.510 -26.997 1.00 30.33 H new ATOM 895 N VAL A 57 -7.204 -0.211 -25.319 1.00 72.23 N ATOM 896 CA VAL A 57 -8.612 -0.492 -25.575 1.00 21.54 C ATOM 897 C VAL A 57 -9.507 0.569 -24.945 1.00 73.05 C ATOM 898 O VAL A 57 -10.483 1.013 -25.552 1.00 2.02 O ATOM 899 CB VAL A 57 -9.015 -1.876 -25.032 1.00 32.24 C ATOM 900 CG1 VAL A 57 -10.483 -2.155 -25.318 1.00 22.32 C ATOM 901 CG2 VAL A 57 -8.131 -2.961 -25.629 1.00 15.21 C ATOM 0 H VAL A 57 -6.718 -0.937 -24.793 1.00 72.23 H new ATOM 0 HA VAL A 57 -8.746 -0.481 -26.657 1.00 21.54 H new ATOM 0 HB VAL A 57 -8.873 -1.878 -23.951 1.00 32.24 H new ATOM 0 HG11 VAL A 57 -10.750 -3.137 -24.927 1.00 22.32 H new ATOM 0 HG12 VAL A 57 -11.098 -1.394 -24.838 1.00 22.32 H new ATOM 0 HG13 VAL A 57 -10.654 -2.134 -26.394 1.00 22.32 H new ATOM 0 HG21 VAL A 57 -8.430 -3.932 -25.234 1.00 15.21 H new ATOM 0 HG22 VAL A 57 -8.238 -2.962 -26.714 1.00 15.21 H new ATOM 0 HG23 VAL A 57 -7.091 -2.768 -25.367 1.00 15.21 H new ATOM 911 N CYS A 58 -9.169 0.973 -23.725 1.00 74.25 N ATOM 912 CA CYS A 58 -9.942 1.983 -23.012 1.00 61.33 C ATOM 913 C CYS A 58 -9.912 3.315 -23.755 1.00 2.40 C ATOM 914 O CYS A 58 -10.736 4.195 -23.507 1.00 55.43 O ATOM 915 CB CYS A 58 -9.397 2.164 -21.594 1.00 52.22 C ATOM 916 SG CYS A 58 -10.687 2.321 -20.317 1.00 4.11 S ATOM 0 H CYS A 58 -8.365 0.616 -23.209 1.00 74.25 H new ATOM 0 HA CYS A 58 -10.976 1.642 -22.956 1.00 61.33 H new ATOM 0 HB2 CYS A 58 -8.760 1.314 -21.350 1.00 52.22 H new ATOM 0 HB3 CYS A 58 -8.766 3.052 -21.569 1.00 52.22 H new ATOM 921 N PHE A 59 -8.956 3.457 -24.667 1.00 24.31 N ATOM 922 CA PHE A 59 -8.817 4.682 -25.446 1.00 21.32 C ATOM 923 C PHE A 59 -9.104 4.423 -26.922 1.00 12.11 C ATOM 924 O PHE A 59 -9.128 5.350 -27.731 1.00 65.13 O ATOM 925 CB PHE A 59 -7.409 5.259 -25.282 1.00 73.31 C ATOM 926 CG PHE A 59 -6.933 5.283 -23.858 1.00 31.43 C ATOM 927 CD1 PHE A 59 -7.478 6.172 -22.946 1.00 55.20 C ATOM 928 CD2 PHE A 59 -5.941 4.415 -23.430 1.00 42.34 C ATOM 929 CE1 PHE A 59 -7.042 6.197 -21.635 1.00 65.31 C ATOM 930 CE2 PHE A 59 -5.500 4.435 -22.120 1.00 70.04 C ATOM 931 CZ PHE A 59 -6.052 5.326 -21.221 1.00 51.34 C ATOM 0 H PHE A 59 -8.266 2.738 -24.885 1.00 24.31 H new ATOM 0 HA PHE A 59 -9.544 5.404 -25.074 1.00 21.32 H new ATOM 0 HB2 PHE A 59 -6.712 4.671 -25.880 1.00 73.31 H new ATOM 0 HB3 PHE A 59 -7.392 6.274 -25.679 1.00 73.31 H new ATOM 0 HD1 PHE A 59 -8.253 6.854 -23.263 1.00 55.20 H new ATOM 0 HD2 PHE A 59 -5.507 3.715 -24.128 1.00 42.34 H new ATOM 0 HE1 PHE A 59 -7.474 6.896 -20.935 1.00 65.31 H new ATOM 0 HE2 PHE A 59 -4.725 3.755 -21.800 1.00 70.04 H new ATOM 0 HZ PHE A 59 -5.711 5.342 -20.196 1.00 51.34 H new ATOM 941 N GLN A 60 -9.322 3.157 -27.263 1.00 44.24 N ATOM 942 CA GLN A 60 -9.606 2.776 -28.642 1.00 1.31 C ATOM 943 C GLN A 60 -11.105 2.815 -28.919 1.00 70.02 C ATOM 944 O GLN A 60 -11.580 3.642 -29.696 1.00 53.24 O ATOM 945 CB GLN A 60 -9.058 1.378 -28.930 1.00 62.41 C ATOM 946 CG GLN A 60 -7.546 1.336 -29.082 1.00 23.04 C ATOM 947 CD GLN A 60 -7.108 1.143 -30.520 1.00 55.23 C ATOM 948 OE1 GLN A 60 -7.303 2.020 -31.363 1.00 62.31 O ATOM 949 NE2 GLN A 60 -6.514 -0.008 -30.809 1.00 62.34 N ATOM 0 H GLN A 60 -9.307 2.378 -26.604 1.00 44.24 H new ATOM 0 HA GLN A 60 -9.115 3.493 -29.300 1.00 1.31 H new ATOM 0 HB2 GLN A 60 -9.352 0.708 -28.122 1.00 62.41 H new ATOM 0 HB3 GLN A 60 -9.517 0.998 -29.843 1.00 62.41 H new ATOM 0 HG2 GLN A 60 -7.120 2.263 -28.698 1.00 23.04 H new ATOM 0 HG3 GLN A 60 -7.146 0.525 -28.473 1.00 23.04 H new ATOM 0 HE21 GLN A 60 -6.373 -0.706 -30.079 1.00 62.34 H new ATOM 0 HE22 GLN A 60 -6.199 -0.194 -31.761 1.00 62.34 H new ATOM 958 N GLU A 61 -11.844 1.914 -28.279 1.00 1.44 N ATOM 959 CA GLU A 61 -13.289 1.846 -28.458 1.00 73.24 C ATOM 960 C GLU A 61 -14.003 1.786 -27.111 1.00 1.32 C ATOM 961 O GLU A 61 -13.370 1.630 -26.066 1.00 51.33 O ATOM 962 CB GLU A 61 -13.664 0.624 -29.300 1.00 45.23 C ATOM 963 CG GLU A 61 -15.012 0.750 -29.989 1.00 31.40 C ATOM 964 CD GLU A 61 -15.091 -0.059 -31.270 1.00 4.44 C ATOM 965 OE1 GLU A 61 -14.232 0.146 -32.153 1.00 41.21 O ATOM 966 OE2 GLU A 61 -16.010 -0.895 -31.389 1.00 20.03 O ATOM 0 H GLU A 61 -11.466 1.222 -27.632 1.00 1.44 H new ATOM 0 HA GLU A 61 -13.607 2.749 -28.978 1.00 73.24 H new ATOM 0 HB2 GLU A 61 -12.894 0.463 -30.054 1.00 45.23 H new ATOM 0 HB3 GLU A 61 -13.674 -0.258 -28.660 1.00 45.23 H new ATOM 0 HG2 GLU A 61 -15.796 0.421 -29.307 1.00 31.40 H new ATOM 0 HG3 GLU A 61 -15.204 1.799 -30.214 1.00 31.40 H new ATOM 973 N LYS A 62 -15.325 1.912 -27.142 1.00 53.52 N ATOM 974 CA LYS A 62 -16.127 1.873 -25.925 1.00 73.22 C ATOM 975 C LYS A 62 -17.370 1.009 -26.120 1.00 44.42 C ATOM 976 O LYS A 62 -17.863 0.857 -27.238 1.00 10.43 O ATOM 977 CB LYS A 62 -16.537 3.289 -25.513 1.00 63.33 C ATOM 978 CG LYS A 62 -17.717 3.834 -26.299 1.00 64.54 C ATOM 979 CD LYS A 62 -17.297 4.298 -27.684 1.00 14.30 C ATOM 980 CE LYS A 62 -18.422 5.044 -28.386 1.00 2.54 C ATOM 981 NZ LYS A 62 -19.303 4.123 -29.155 1.00 51.34 N ATOM 0 H LYS A 62 -15.864 2.042 -27.998 1.00 53.52 H new ATOM 0 HA LYS A 62 -15.520 1.433 -25.134 1.00 73.22 H new ATOM 0 HB2 LYS A 62 -16.786 3.292 -24.452 1.00 63.33 H new ATOM 0 HB3 LYS A 62 -15.685 3.957 -25.643 1.00 63.33 H new ATOM 0 HG2 LYS A 62 -18.483 3.063 -26.389 1.00 64.54 H new ATOM 0 HG3 LYS A 62 -18.164 4.666 -25.755 1.00 64.54 H new ATOM 0 HD2 LYS A 62 -16.424 4.946 -27.603 1.00 14.30 H new ATOM 0 HD3 LYS A 62 -17.000 3.437 -28.283 1.00 14.30 H new ATOM 0 HE2 LYS A 62 -19.016 5.583 -27.648 1.00 2.54 H new ATOM 0 HE3 LYS A 62 -17.999 5.789 -29.060 1.00 2.54 H new ATOM 0 HZ1 LYS A 62 -20.057 4.670 -29.618 1.00 51.34 H new ATOM 0 HZ2 LYS A 62 -18.741 3.627 -29.876 1.00 51.34 H new ATOM 0 HZ3 LYS A 62 -19.727 3.428 -28.508 1.00 51.34 H new ATOM 995 N VAL A 63 -17.872 0.447 -25.025 1.00 64.14 N ATOM 996 CA VAL A 63 -19.058 -0.399 -25.076 1.00 20.12 C ATOM 997 C VAL A 63 -20.023 -0.061 -23.945 1.00 25.04 C ATOM 998 O VAL A 63 -19.664 0.636 -22.995 1.00 21.13 O ATOM 999 CB VAL A 63 -18.687 -1.892 -24.991 1.00 11.43 C ATOM 1000 CG1 VAL A 63 -17.489 -2.196 -25.877 1.00 53.34 C ATOM 1001 CG2 VAL A 63 -18.409 -2.290 -23.549 1.00 45.52 C ATOM 0 H VAL A 63 -17.476 0.562 -24.092 1.00 64.14 H new ATOM 0 HA VAL A 63 -19.543 -0.207 -26.033 1.00 20.12 H new ATOM 0 HB VAL A 63 -19.532 -2.480 -25.350 1.00 11.43 H new ATOM 0 HG11 VAL A 63 -17.242 -3.255 -25.804 1.00 53.34 H new ATOM 0 HG12 VAL A 63 -17.730 -1.950 -26.911 1.00 53.34 H new ATOM 0 HG13 VAL A 63 -16.636 -1.601 -25.552 1.00 53.34 H new ATOM 0 HG21 VAL A 63 -18.149 -3.348 -23.507 1.00 45.52 H new ATOM 0 HG22 VAL A 63 -17.581 -1.697 -23.161 1.00 45.52 H new ATOM 0 HG23 VAL A 63 -19.298 -2.111 -22.944 1.00 45.52 H new ATOM 1011 N THR A 64 -21.250 -0.560 -24.052 1.00 12.01 N ATOM 1012 CA THR A 64 -22.268 -0.311 -23.039 1.00 3.23 C ATOM 1013 C THR A 64 -22.208 -1.356 -21.931 1.00 72.40 C ATOM 1014 O THR A 64 -21.482 -2.345 -22.035 1.00 24.12 O ATOM 1015 CB THR A 64 -23.681 -0.308 -23.651 1.00 12.21 C ATOM 1016 OG1 THR A 64 -23.598 -0.195 -25.076 1.00 24.40 O ATOM 1017 CG2 THR A 64 -24.509 0.840 -23.094 1.00 55.33 C ATOM 0 H THR A 64 -21.563 -1.140 -24.831 1.00 12.01 H new ATOM 0 HA THR A 64 -22.061 0.673 -22.618 1.00 3.23 H new ATOM 0 HB THR A 64 -24.168 -1.247 -23.389 1.00 12.21 H new ATOM 0 HG1 THR A 64 -24.501 -0.196 -25.457 1.00 24.40 H new ATOM 0 HG21 THR A 64 -25.503 0.822 -23.541 1.00 55.33 H new ATOM 0 HG22 THR A 64 -24.595 0.735 -22.012 1.00 55.33 H new ATOM 0 HG23 THR A 64 -24.023 1.787 -23.329 1.00 55.33 H new ATOM 1025 N CYS A 65 -22.977 -1.133 -20.871 1.00 12.43 N ATOM 1026 CA CYS A 65 -23.013 -2.056 -19.743 1.00 2.42 C ATOM 1027 C CYS A 65 -24.419 -2.146 -19.158 1.00 13.22 C ATOM 1028 O CYS A 65 -25.256 -1.272 -19.387 1.00 34.44 O ATOM 1029 CB CYS A 65 -22.026 -1.610 -18.661 1.00 74.32 C ATOM 1030 SG CYS A 65 -20.415 -2.457 -18.730 1.00 71.42 S ATOM 0 H CYS A 65 -23.584 -0.320 -20.769 1.00 12.43 H new ATOM 0 HA CYS A 65 -22.725 -3.043 -20.104 1.00 2.42 H new ATOM 0 HB2 CYS A 65 -21.864 -0.536 -18.752 1.00 74.32 H new ATOM 0 HB3 CYS A 65 -22.474 -1.783 -17.682 1.00 74.32 H new ATOM 1035 N LYS A 66 -24.672 -3.208 -18.401 1.00 73.33 N ATOM 1036 CA LYS A 66 -25.976 -3.414 -17.781 1.00 41.13 C ATOM 1037 C LYS A 66 -26.604 -2.083 -17.380 1.00 43.25 C ATOM 1038 O LYS A 66 -27.693 -1.738 -17.836 1.00 51.20 O ATOM 1039 CB LYS A 66 -25.843 -4.317 -16.553 1.00 62.43 C ATOM 1040 CG LYS A 66 -25.083 -5.604 -16.824 1.00 63.24 C ATOM 1041 CD LYS A 66 -23.689 -5.566 -16.221 1.00 22.24 C ATOM 1042 CE LYS A 66 -23.548 -6.562 -15.080 1.00 33.23 C ATOM 1043 NZ LYS A 66 -22.870 -5.960 -13.899 1.00 24.54 N ATOM 0 H LYS A 66 -23.991 -3.940 -18.202 1.00 73.33 H new ATOM 0 HA LYS A 66 -26.625 -3.897 -18.511 1.00 41.13 H new ATOM 0 HB2 LYS A 66 -25.337 -3.766 -15.760 1.00 62.43 H new ATOM 0 HB3 LYS A 66 -26.839 -4.564 -16.184 1.00 62.43 H new ATOM 0 HG2 LYS A 66 -25.636 -6.448 -16.411 1.00 63.24 H new ATOM 0 HG3 LYS A 66 -25.011 -5.765 -17.900 1.00 63.24 H new ATOM 0 HD2 LYS A 66 -22.952 -5.788 -16.992 1.00 22.24 H new ATOM 0 HD3 LYS A 66 -23.476 -4.561 -15.856 1.00 22.24 H new ATOM 0 HE2 LYS A 66 -24.535 -6.922 -14.788 1.00 33.23 H new ATOM 0 HE3 LYS A 66 -22.981 -7.428 -15.422 1.00 33.23 H new ATOM 0 HZ1 LYS A 66 -22.793 -6.670 -13.143 1.00 24.54 H new ATOM 0 HZ2 LYS A 66 -21.919 -5.639 -14.171 1.00 24.54 H new ATOM 0 HZ3 LYS A 66 -23.424 -5.149 -13.557 1.00 24.54 H new ATOM 1057 N ASN A 67 -25.908 -1.339 -16.527 1.00 11.24 N ATOM 1058 CA ASN A 67 -26.398 -0.045 -16.066 1.00 2.25 C ATOM 1059 C ASN A 67 -26.597 0.911 -17.238 1.00 70.31 C ATOM 1060 O ASN A 67 -27.541 1.699 -17.256 1.00 50.43 O ATOM 1061 CB ASN A 67 -25.421 0.564 -15.058 1.00 22.15 C ATOM 1062 CG ASN A 67 -24.170 1.108 -15.721 1.00 14.43 C ATOM 1063 OD1 ASN A 67 -24.224 2.093 -16.458 1.00 61.21 O ATOM 1064 ND2 ASN A 67 -23.036 0.468 -15.461 1.00 14.33 N ATOM 0 H ASN A 67 -25.003 -1.610 -16.141 1.00 11.24 H new ATOM 0 HA ASN A 67 -27.361 -0.202 -15.580 1.00 2.25 H new ATOM 0 HB2 ASN A 67 -25.918 1.366 -14.513 1.00 22.15 H new ATOM 0 HB3 ASN A 67 -25.141 -0.193 -14.325 1.00 22.15 H new ATOM 0 HD21 ASN A 67 -22.162 0.789 -15.878 1.00 14.33 H new ATOM 0 HD22 ASN A 67 -23.039 -0.344 -14.844 1.00 14.33 H new ATOM 1071 N GLY A 68 -25.700 0.833 -18.217 1.00 14.11 N ATOM 1072 CA GLY A 68 -25.795 1.696 -19.380 1.00 74.41 C ATOM 1073 C GLY A 68 -24.739 2.782 -19.384 1.00 2.41 C ATOM 1074 O GLY A 68 -24.962 3.871 -19.913 1.00 64.23 O ATOM 0 H GLY A 68 -24.910 0.188 -18.225 1.00 14.11 H new ATOM 0 HA2 GLY A 68 -25.697 1.095 -20.284 1.00 74.41 H new ATOM 0 HA3 GLY A 68 -26.783 2.155 -19.408 1.00 74.41 H new ATOM 1078 N GLN A 69 -23.587 2.487 -18.791 1.00 4.54 N ATOM 1079 CA GLN A 69 -22.493 3.450 -18.726 1.00 21.30 C ATOM 1080 C GLN A 69 -21.337 3.022 -19.625 1.00 35.33 C ATOM 1081 O GLN A 69 -21.278 1.878 -20.074 1.00 53.14 O ATOM 1082 CB GLN A 69 -22.004 3.602 -17.285 1.00 31.05 C ATOM 1083 CG GLN A 69 -22.753 4.665 -16.497 1.00 41.33 C ATOM 1084 CD GLN A 69 -22.155 4.905 -15.125 1.00 43.12 C ATOM 1085 OE1 GLN A 69 -21.563 5.954 -14.868 1.00 14.13 O ATOM 1086 NE2 GLN A 69 -22.305 3.931 -14.235 1.00 15.41 N ATOM 0 H GLN A 69 -23.387 1.590 -18.349 1.00 4.54 H new ATOM 0 HA GLN A 69 -22.867 4.411 -19.078 1.00 21.30 H new ATOM 0 HB2 GLN A 69 -22.104 2.645 -16.773 1.00 31.05 H new ATOM 0 HB3 GLN A 69 -20.942 3.849 -17.295 1.00 31.05 H new ATOM 0 HG2 GLN A 69 -22.749 5.599 -17.059 1.00 41.33 H new ATOM 0 HG3 GLN A 69 -23.795 4.364 -16.387 1.00 41.33 H new ATOM 0 HE21 GLN A 69 -22.803 3.078 -14.491 1.00 15.41 H new ATOM 0 HE22 GLN A 69 -21.922 4.035 -13.295 1.00 15.41 H new ATOM 1095 N GLY A 70 -20.420 3.949 -19.883 1.00 21.22 N ATOM 1096 CA GLY A 70 -19.279 3.648 -20.727 1.00 43.13 C ATOM 1097 C GLY A 70 -18.069 3.201 -19.930 1.00 53.32 C ATOM 1098 O GLY A 70 -16.936 3.537 -20.269 1.00 45.43 O ATOM 0 H GLY A 70 -20.447 4.903 -19.523 1.00 21.22 H new ATOM 0 HA2 GLY A 70 -19.552 2.866 -21.436 1.00 43.13 H new ATOM 0 HA3 GLY A 70 -19.020 4.531 -21.310 1.00 43.13 H new ATOM 1102 N ASN A 71 -18.311 2.443 -18.866 1.00 72.41 N ATOM 1103 CA ASN A 71 -17.232 1.951 -18.017 1.00 34.03 C ATOM 1104 C ASN A 71 -16.568 0.725 -18.636 1.00 0.10 C ATOM 1105 O ASN A 71 -15.474 0.329 -18.234 1.00 24.31 O ATOM 1106 CB ASN A 71 -17.767 1.607 -16.625 1.00 73.32 C ATOM 1107 CG ASN A 71 -16.657 1.417 -15.610 1.00 12.35 C ATOM 1108 OD1 ASN A 71 -16.539 2.183 -14.653 1.00 21.23 O ATOM 1109 ND2 ASN A 71 -15.837 0.393 -15.814 1.00 43.42 N ATOM 0 H ASN A 71 -19.244 2.156 -18.571 1.00 72.41 H new ATOM 0 HA ASN A 71 -16.485 2.740 -17.928 1.00 34.03 H new ATOM 0 HB2 ASN A 71 -18.432 2.402 -16.288 1.00 73.32 H new ATOM 0 HB3 ASN A 71 -18.363 0.696 -16.683 1.00 73.32 H new ATOM 0 HD21 ASN A 71 -15.071 0.215 -15.164 1.00 43.42 H new ATOM 0 HD22 ASN A 71 -15.973 -0.216 -16.621 1.00 43.42 H new ATOM 1116 N CYS A 72 -17.237 0.129 -19.617 1.00 63.13 N ATOM 1117 CA CYS A 72 -16.713 -1.052 -20.293 1.00 44.44 C ATOM 1118 C CYS A 72 -16.232 -0.705 -21.699 1.00 43.55 C ATOM 1119 O CYS A 72 -16.597 0.332 -22.254 1.00 14.22 O ATOM 1120 CB CYS A 72 -17.783 -2.142 -20.363 1.00 71.34 C ATOM 1121 SG CYS A 72 -19.491 -1.516 -20.257 1.00 25.33 S ATOM 0 H CYS A 72 -18.144 0.445 -19.962 1.00 63.13 H new ATOM 0 HA CYS A 72 -15.864 -1.422 -19.718 1.00 44.44 H new ATOM 0 HB2 CYS A 72 -17.666 -2.691 -21.297 1.00 71.34 H new ATOM 0 HB3 CYS A 72 -17.617 -2.852 -19.553 1.00 71.34 H new ATOM 1126 N TYR A 73 -15.410 -1.579 -22.270 1.00 54.22 N ATOM 1127 CA TYR A 73 -14.878 -1.365 -23.610 1.00 45.53 C ATOM 1128 C TYR A 73 -14.459 -2.686 -24.248 1.00 12.11 C ATOM 1129 O TYR A 73 -14.337 -3.706 -23.569 1.00 45.31 O ATOM 1130 CB TYR A 73 -13.684 -0.409 -23.561 1.00 30.14 C ATOM 1131 CG TYR A 73 -13.800 0.649 -22.487 1.00 23.14 C ATOM 1132 CD1 TYR A 73 -13.619 0.329 -21.147 1.00 11.54 C ATOM 1133 CD2 TYR A 73 -14.089 1.968 -22.812 1.00 43.43 C ATOM 1134 CE1 TYR A 73 -13.725 1.293 -20.162 1.00 64.22 C ATOM 1135 CE2 TYR A 73 -14.195 2.939 -21.835 1.00 23.34 C ATOM 1136 CZ TYR A 73 -14.012 2.596 -20.511 1.00 73.11 C ATOM 1137 OH TYR A 73 -14.117 3.559 -19.533 1.00 61.35 O ATOM 0 H TYR A 73 -15.098 -2.442 -21.825 1.00 54.22 H new ATOM 0 HA TYR A 73 -15.666 -0.922 -24.219 1.00 45.53 H new ATOM 0 HB2 TYR A 73 -12.774 -0.986 -23.395 1.00 30.14 H new ATOM 0 HB3 TYR A 73 -13.580 0.079 -24.530 1.00 30.14 H new ATOM 0 HD1 TYR A 73 -13.392 -0.690 -20.870 1.00 11.54 H new ATOM 0 HD2 TYR A 73 -14.233 2.240 -23.847 1.00 43.43 H new ATOM 0 HE1 TYR A 73 -13.584 1.027 -19.125 1.00 64.22 H new ATOM 0 HE2 TYR A 73 -14.420 3.960 -22.106 1.00 23.34 H new ATOM 0 HH TYR A 73 -13.225 3.896 -19.309 1.00 61.35 H new ATOM 1147 N LYS A 74 -14.241 -2.660 -25.558 1.00 44.13 N ATOM 1148 CA LYS A 74 -13.834 -3.853 -26.290 1.00 61.45 C ATOM 1149 C LYS A 74 -12.504 -3.628 -27.002 1.00 62.13 C ATOM 1150 O LYS A 74 -12.258 -2.556 -27.555 1.00 14.35 O ATOM 1151 CB LYS A 74 -14.909 -4.244 -27.307 1.00 61.12 C ATOM 1152 CG LYS A 74 -16.016 -5.104 -26.722 1.00 1.30 C ATOM 1153 CD LYS A 74 -16.951 -5.621 -27.803 1.00 2.45 C ATOM 1154 CE LYS A 74 -18.389 -5.682 -27.312 1.00 73.12 C ATOM 1155 NZ LYS A 74 -19.318 -6.154 -28.376 1.00 72.40 N ATOM 0 H LYS A 74 -14.340 -1.825 -26.135 1.00 44.13 H new ATOM 0 HA LYS A 74 -13.709 -4.664 -25.572 1.00 61.45 H new ATOM 0 HB2 LYS A 74 -15.347 -3.338 -27.726 1.00 61.12 H new ATOM 0 HB3 LYS A 74 -14.440 -4.782 -28.131 1.00 61.12 H new ATOM 0 HG2 LYS A 74 -15.579 -5.946 -26.185 1.00 1.30 H new ATOM 0 HG3 LYS A 74 -16.584 -4.523 -25.996 1.00 1.30 H new ATOM 0 HD2 LYS A 74 -16.891 -4.974 -28.678 1.00 2.45 H new ATOM 0 HD3 LYS A 74 -16.631 -6.614 -28.119 1.00 2.45 H new ATOM 0 HE2 LYS A 74 -18.451 -6.350 -26.453 1.00 73.12 H new ATOM 0 HE3 LYS A 74 -18.699 -4.694 -26.971 1.00 73.12 H new ATOM 0 HZ1 LYS A 74 -20.288 -6.182 -28.002 1.00 72.40 H new ATOM 0 HZ2 LYS A 74 -19.277 -5.503 -29.186 1.00 72.40 H new ATOM 0 HZ3 LYS A 74 -19.038 -7.107 -28.684 1.00 72.40 H new ATOM 1169 N SER A 75 -11.649 -4.646 -26.987 1.00 34.15 N ATOM 1170 CA SER A 75 -10.343 -4.558 -27.629 1.00 12.13 C ATOM 1171 C SER A 75 -10.489 -4.247 -29.115 1.00 64.03 C ATOM 1172 O SER A 75 -11.444 -4.678 -29.760 1.00 3.30 O ATOM 1173 CB SER A 75 -9.570 -5.865 -27.443 1.00 35.13 C ATOM 1174 OG SER A 75 -10.008 -6.851 -28.362 1.00 23.23 O ATOM 0 H SER A 75 -11.838 -5.542 -26.537 1.00 34.15 H new ATOM 0 HA SER A 75 -9.788 -3.747 -27.158 1.00 12.13 H new ATOM 0 HB2 SER A 75 -8.504 -5.683 -27.580 1.00 35.13 H new ATOM 0 HB3 SER A 75 -9.703 -6.228 -26.424 1.00 35.13 H new ATOM 0 HG SER A 75 -9.365 -6.921 -29.098 1.00 23.23 H new ATOM 1180 N ASN A 76 -9.533 -3.496 -29.652 1.00 40.55 N ATOM 1181 CA ASN A 76 -9.554 -3.126 -31.063 1.00 42.40 C ATOM 1182 C ASN A 76 -9.481 -4.364 -31.951 1.00 42.13 C ATOM 1183 O ASN A 76 -10.143 -4.438 -32.986 1.00 74.10 O ATOM 1184 CB ASN A 76 -8.389 -2.186 -31.382 1.00 54.25 C ATOM 1185 CG ASN A 76 -8.647 -1.345 -32.618 1.00 15.33 C ATOM 1186 OD1 ASN A 76 -8.601 -1.843 -33.742 1.00 75.24 O ATOM 1187 ND2 ASN A 76 -8.921 -0.061 -32.413 1.00 65.30 N ATOM 0 H ASN A 76 -8.735 -3.132 -29.132 1.00 40.55 H new ATOM 0 HA ASN A 76 -10.493 -2.611 -31.264 1.00 42.40 H new ATOM 0 HB2 ASN A 76 -8.211 -1.530 -30.530 1.00 54.25 H new ATOM 0 HB3 ASN A 76 -7.482 -2.772 -31.528 1.00 54.25 H new ATOM 0 HD21 ASN A 76 -9.104 0.554 -33.206 1.00 65.30 H new ATOM 0 HD22 ASN A 76 -8.949 0.309 -31.463 1.00 65.30 H new ATOM 1194 N SER A 77 -8.671 -5.334 -31.539 1.00 73.31 N ATOM 1195 CA SER A 77 -8.509 -6.568 -32.299 1.00 21.43 C ATOM 1196 C SER A 77 -8.340 -7.763 -31.365 1.00 4.24 C ATOM 1197 O SER A 77 -8.314 -7.611 -30.143 1.00 73.13 O ATOM 1198 CB SER A 77 -7.302 -6.462 -33.233 1.00 31.10 C ATOM 1199 OG SER A 77 -7.712 -6.291 -34.578 1.00 54.25 O ATOM 0 H SER A 77 -8.117 -5.289 -30.684 1.00 73.31 H new ATOM 0 HA SER A 77 -9.409 -6.719 -32.895 1.00 21.43 H new ATOM 0 HB2 SER A 77 -6.677 -5.622 -32.930 1.00 31.10 H new ATOM 0 HB3 SER A 77 -6.692 -7.361 -33.147 1.00 31.10 H new ATOM 0 HG SER A 77 -6.922 -6.224 -35.155 1.00 54.25 H new ATOM 1205 N SER A 78 -8.224 -8.951 -31.949 1.00 30.12 N ATOM 1206 CA SER A 78 -8.061 -10.173 -31.170 1.00 62.11 C ATOM 1207 C SER A 78 -6.913 -10.034 -30.174 1.00 53.53 C ATOM 1208 O SER A 78 -6.064 -9.154 -30.309 1.00 43.54 O ATOM 1209 CB SER A 78 -7.805 -11.363 -32.097 1.00 20.22 C ATOM 1210 OG SER A 78 -6.569 -11.224 -32.777 1.00 15.14 O ATOM 0 H SER A 78 -8.240 -9.094 -32.959 1.00 30.12 H new ATOM 0 HA SER A 78 -8.982 -10.346 -30.614 1.00 62.11 H new ATOM 0 HB2 SER A 78 -7.803 -12.286 -31.517 1.00 20.22 H new ATOM 0 HB3 SER A 78 -8.615 -11.444 -32.822 1.00 20.22 H new ATOM 0 HG SER A 78 -6.428 -11.998 -33.361 1.00 15.14 H new ATOM 1216 N MET A 79 -6.896 -10.909 -29.174 1.00 53.43 N ATOM 1217 CA MET A 79 -5.853 -10.884 -28.156 1.00 21.33 C ATOM 1218 C MET A 79 -5.601 -12.283 -27.602 1.00 70.20 C ATOM 1219 O MET A 79 -6.533 -13.068 -27.424 1.00 20.23 O ATOM 1220 CB MET A 79 -6.241 -9.936 -27.020 1.00 13.11 C ATOM 1221 CG MET A 79 -5.413 -8.662 -26.982 1.00 25.24 C ATOM 1222 SD MET A 79 -6.425 -7.172 -27.051 1.00 74.13 S ATOM 1223 CE MET A 79 -5.346 -5.991 -26.247 1.00 44.22 C ATOM 0 H MET A 79 -7.592 -11.644 -29.047 1.00 53.43 H new ATOM 0 HA MET A 79 -4.935 -10.525 -28.621 1.00 21.33 H new ATOM 0 HB2 MET A 79 -7.294 -9.672 -27.121 1.00 13.11 H new ATOM 0 HB3 MET A 79 -6.133 -10.458 -26.069 1.00 13.11 H new ATOM 0 HG2 MET A 79 -4.816 -8.649 -26.070 1.00 25.24 H new ATOM 0 HG3 MET A 79 -4.716 -8.662 -27.820 1.00 25.24 H new ATOM 0 HE1 MET A 79 -5.841 -5.021 -26.197 1.00 44.22 H new ATOM 0 HE2 MET A 79 -5.118 -6.335 -25.238 1.00 44.22 H new ATOM 0 HE3 MET A 79 -4.421 -5.897 -26.816 1.00 44.22 H new ATOM 1233 N HIS A 80 -4.336 -12.589 -27.332 1.00 61.10 N ATOM 1234 CA HIS A 80 -3.962 -13.894 -26.798 1.00 51.02 C ATOM 1235 C HIS A 80 -4.427 -14.043 -25.353 1.00 20.13 C ATOM 1236 O HIS A 80 -4.076 -13.236 -24.492 1.00 11.24 O ATOM 1237 CB HIS A 80 -2.448 -14.088 -26.882 1.00 2.13 C ATOM 1238 CG HIS A 80 -1.883 -13.815 -28.242 1.00 10.13 C ATOM 1239 ND1 HIS A 80 -0.538 -13.619 -28.473 1.00 2.14 N ATOM 1240 CD2 HIS A 80 -2.490 -13.707 -29.447 1.00 23.31 C ATOM 1241 CE1 HIS A 80 -0.342 -13.401 -29.761 1.00 4.24 C ATOM 1242 NE2 HIS A 80 -1.510 -13.450 -30.374 1.00 52.33 N ATOM 0 H HIS A 80 -3.553 -11.951 -27.474 1.00 61.10 H new ATOM 0 HA HIS A 80 -4.452 -14.659 -27.399 1.00 51.02 H new ATOM 0 HB2 HIS A 80 -1.965 -13.431 -26.159 1.00 2.13 H new ATOM 0 HB3 HIS A 80 -2.205 -15.111 -26.595 1.00 2.13 H new ATOM 0 HD2 HIS A 80 -3.548 -13.805 -29.643 1.00 23.31 H new ATOM 0 HE1 HIS A 80 0.612 -13.214 -30.232 1.00 4.24 H new ATOM 0 HE2 HIS A 80 -1.660 -13.318 -31.374 1.00 52.33 H new ATOM 1250 N ILE A 81 -5.218 -15.079 -25.095 1.00 12.14 N ATOM 1251 CA ILE A 81 -5.730 -15.333 -23.754 1.00 13.12 C ATOM 1252 C ILE A 81 -5.842 -16.829 -23.482 1.00 72.34 C ATOM 1253 O ILE A 81 -5.803 -17.644 -24.405 1.00 22.10 O ATOM 1254 CB ILE A 81 -7.110 -14.680 -23.545 1.00 25.11 C ATOM 1255 CG1 ILE A 81 -8.200 -15.512 -24.224 1.00 3.04 C ATOM 1256 CG2 ILE A 81 -7.109 -13.257 -24.083 1.00 71.23 C ATOM 1257 CD1 ILE A 81 -8.114 -15.504 -25.734 1.00 11.42 C ATOM 0 H ILE A 81 -5.518 -15.756 -25.797 1.00 12.14 H new ATOM 0 HA ILE A 81 -5.018 -14.892 -23.056 1.00 13.12 H new ATOM 0 HB ILE A 81 -7.321 -14.643 -22.476 1.00 25.11 H new ATOM 0 HG12 ILE A 81 -8.134 -16.541 -23.870 1.00 3.04 H new ATOM 0 HG13 ILE A 81 -9.176 -15.133 -23.922 1.00 3.04 H new ATOM 0 HG21 ILE A 81 -8.090 -12.809 -23.928 1.00 71.23 H new ATOM 0 HG22 ILE A 81 -6.355 -12.670 -23.558 1.00 71.23 H new ATOM 0 HG23 ILE A 81 -6.881 -13.271 -25.149 1.00 71.23 H new ATOM 0 HD11 ILE A 81 -8.917 -16.114 -26.147 1.00 11.42 H new ATOM 0 HD12 ILE A 81 -8.211 -14.481 -26.099 1.00 11.42 H new ATOM 0 HD13 ILE A 81 -7.152 -15.911 -26.046 1.00 11.42 H new ATOM 1269 N THR A 82 -5.984 -17.185 -22.209 1.00 62.43 N ATOM 1270 CA THR A 82 -6.102 -18.584 -21.816 1.00 13.45 C ATOM 1271 C THR A 82 -7.341 -18.810 -20.956 1.00 41.41 C ATOM 1272 O THR A 82 -7.353 -18.482 -19.769 1.00 62.43 O ATOM 1273 CB THR A 82 -4.859 -19.056 -21.038 1.00 50.43 C ATOM 1274 OG1 THR A 82 -3.691 -18.926 -21.857 1.00 12.54 O ATOM 1275 CG2 THR A 82 -5.015 -20.502 -20.595 1.00 31.41 C ATOM 0 H THR A 82 -6.020 -16.524 -21.433 1.00 62.43 H new ATOM 0 HA THR A 82 -6.189 -19.164 -22.735 1.00 13.45 H new ATOM 0 HB THR A 82 -4.753 -18.431 -20.151 1.00 50.43 H new ATOM 0 HG1 THR A 82 -3.010 -18.410 -21.376 1.00 12.54 H new ATOM 0 HG21 THR A 82 -4.125 -20.813 -20.048 1.00 31.41 H new ATOM 0 HG22 THR A 82 -5.888 -20.592 -19.949 1.00 31.41 H new ATOM 0 HG23 THR A 82 -5.144 -21.139 -21.470 1.00 31.41 H new ATOM 1283 N ASP A 83 -8.381 -19.371 -21.562 1.00 71.31 N ATOM 1284 CA ASP A 83 -9.625 -19.643 -20.851 1.00 50.11 C ATOM 1285 C ASP A 83 -9.392 -20.620 -19.702 1.00 53.55 C ATOM 1286 O ASP A 83 -8.732 -21.645 -19.870 1.00 20.33 O ATOM 1287 CB ASP A 83 -10.674 -20.206 -21.811 1.00 63.34 C ATOM 1288 CG ASP A 83 -12.001 -19.482 -21.709 1.00 14.23 C ATOM 1289 OD1 ASP A 83 -12.046 -18.277 -22.032 1.00 42.34 O ATOM 1290 OD2 ASP A 83 -12.996 -20.120 -21.304 1.00 11.33 O ATOM 0 H ASP A 83 -8.388 -19.646 -22.544 1.00 71.31 H new ATOM 0 HA ASP A 83 -9.991 -18.703 -20.437 1.00 50.11 H new ATOM 0 HB2 ASP A 83 -10.302 -20.134 -22.833 1.00 63.34 H new ATOM 0 HB3 ASP A 83 -10.824 -21.265 -21.600 1.00 63.34 H new ATOM 1295 N CYS A 84 -9.938 -20.293 -18.536 1.00 31.43 N ATOM 1296 CA CYS A 84 -9.789 -21.140 -17.358 1.00 74.01 C ATOM 1297 C CYS A 84 -11.129 -21.329 -16.651 1.00 44.42 C ATOM 1298 O CYS A 84 -11.593 -20.444 -15.932 1.00 44.41 O ATOM 1299 CB CYS A 84 -8.771 -20.531 -16.392 1.00 34.22 C ATOM 1300 SG CYS A 84 -7.223 -19.991 -17.186 1.00 33.23 S ATOM 0 H CYS A 84 -10.488 -19.448 -18.381 1.00 31.43 H new ATOM 0 HA CYS A 84 -9.430 -22.116 -17.685 1.00 74.01 H new ATOM 0 HB2 CYS A 84 -9.227 -19.677 -15.891 1.00 34.22 H new ATOM 0 HB3 CYS A 84 -8.535 -21.264 -15.621 1.00 34.22 H new ATOM 1305 N ARG A 85 -11.744 -22.488 -16.861 1.00 10.30 N ATOM 1306 CA ARG A 85 -13.030 -22.792 -16.245 1.00 62.50 C ATOM 1307 C ARG A 85 -13.021 -24.190 -15.632 1.00 13.32 C ATOM 1308 O ARG A 85 -12.485 -25.132 -16.216 1.00 33.52 O ATOM 1309 CB ARG A 85 -14.153 -22.684 -17.278 1.00 63.23 C ATOM 1310 CG ARG A 85 -15.458 -23.319 -16.828 1.00 32.12 C ATOM 1311 CD ARG A 85 -16.515 -23.256 -17.920 1.00 5.52 C ATOM 1312 NE ARG A 85 -17.743 -23.944 -17.534 1.00 30.53 N ATOM 1313 CZ ARG A 85 -18.872 -23.880 -18.231 1.00 62.30 C ATOM 1314 NH1 ARG A 85 -18.927 -23.163 -19.344 1.00 52.44 N ATOM 1315 NH2 ARG A 85 -19.948 -24.535 -17.815 1.00 72.51 N ATOM 0 H ARG A 85 -11.373 -23.232 -17.453 1.00 10.30 H new ATOM 0 HA ARG A 85 -13.205 -22.066 -15.451 1.00 62.50 H new ATOM 0 HB2 ARG A 85 -14.329 -21.632 -17.502 1.00 63.23 H new ATOM 0 HB3 ARG A 85 -13.829 -23.157 -18.205 1.00 63.23 H new ATOM 0 HG2 ARG A 85 -15.281 -24.358 -16.551 1.00 32.12 H new ATOM 0 HG3 ARG A 85 -15.824 -22.809 -15.937 1.00 32.12 H new ATOM 0 HD2 ARG A 85 -16.740 -22.214 -18.147 1.00 5.52 H new ATOM 0 HD3 ARG A 85 -16.121 -23.703 -18.832 1.00 5.52 H new ATOM 0 HE ARG A 85 -17.734 -24.505 -16.682 1.00 30.53 H new ATOM 0 HH11 ARG A 85 -18.101 -22.659 -19.667 1.00 52.44 H new ATOM 0 HH12 ARG A 85 -19.795 -23.115 -19.878 1.00 52.44 H new ATOM 0 HH21 ARG A 85 -19.909 -25.088 -16.959 1.00 72.51 H new ATOM 0 HH22 ARG A 85 -20.814 -24.485 -18.351 1.00 72.51 H new ATOM 1329 N LEU A 86 -13.618 -24.316 -14.452 1.00 2.45 N ATOM 1330 CA LEU A 86 -13.679 -25.598 -13.758 1.00 41.40 C ATOM 1331 C LEU A 86 -14.232 -26.686 -14.673 1.00 11.33 C ATOM 1332 O LEU A 86 -14.956 -26.401 -15.627 1.00 74.33 O ATOM 1333 CB LEU A 86 -14.546 -25.480 -12.504 1.00 33.35 C ATOM 1334 CG LEU A 86 -13.809 -25.143 -11.207 1.00 31.51 C ATOM 1335 CD1 LEU A 86 -14.799 -24.835 -10.095 1.00 12.04 C ATOM 1336 CD2 LEU A 86 -12.890 -26.287 -10.803 1.00 71.33 C ATOM 0 H LEU A 86 -14.067 -23.546 -13.956 1.00 2.45 H new ATOM 0 HA LEU A 86 -12.666 -25.875 -13.467 1.00 41.40 H new ATOM 0 HB2 LEU A 86 -15.301 -24.713 -12.679 1.00 33.35 H new ATOM 0 HB3 LEU A 86 -15.076 -26.422 -12.363 1.00 33.35 H new ATOM 0 HG LEU A 86 -13.199 -24.256 -11.378 1.00 31.51 H new ATOM 0 HD11 LEU A 86 -14.256 -24.598 -9.180 1.00 12.04 H new ATOM 0 HD12 LEU A 86 -15.416 -23.983 -10.382 1.00 12.04 H new ATOM 0 HD13 LEU A 86 -15.436 -25.703 -9.924 1.00 12.04 H new ATOM 0 HD21 LEU A 86 -12.374 -26.030 -9.878 1.00 71.33 H new ATOM 0 HD22 LEU A 86 -13.480 -27.191 -10.650 1.00 71.33 H new ATOM 0 HD23 LEU A 86 -12.157 -26.461 -11.591 1.00 71.33 H new ATOM 1348 N THR A 87 -13.888 -27.935 -14.374 1.00 1.42 N ATOM 1349 CA THR A 87 -14.350 -29.066 -15.168 1.00 14.32 C ATOM 1350 C THR A 87 -15.766 -29.472 -14.773 1.00 63.35 C ATOM 1351 O THR A 87 -16.211 -30.579 -15.076 1.00 43.50 O ATOM 1352 CB THR A 87 -13.417 -30.281 -15.011 1.00 40.04 C ATOM 1353 OG1 THR A 87 -13.994 -31.228 -14.106 1.00 24.35 O ATOM 1354 CG2 THR A 87 -12.050 -29.851 -14.501 1.00 62.13 C ATOM 0 H THR A 87 -13.291 -28.188 -13.587 1.00 1.42 H new ATOM 0 HA THR A 87 -14.344 -28.745 -16.210 1.00 14.32 H new ATOM 0 HB THR A 87 -13.292 -30.745 -15.990 1.00 40.04 H new ATOM 0 HG1 THR A 87 -14.853 -31.539 -14.461 1.00 24.35 H new ATOM 0 HG21 THR A 87 -11.408 -30.726 -14.398 1.00 62.13 H new ATOM 0 HG22 THR A 87 -11.601 -29.153 -15.208 1.00 62.13 H new ATOM 0 HG23 THR A 87 -12.160 -29.365 -13.531 1.00 62.13 H new ATOM 1362 N ASN A 88 -16.469 -28.570 -14.097 1.00 2.12 N ATOM 1363 CA ASN A 88 -17.835 -28.835 -13.661 1.00 70.51 C ATOM 1364 C ASN A 88 -17.889 -30.065 -12.760 1.00 33.40 C ATOM 1365 O ASN A 88 -18.723 -30.950 -12.949 1.00 61.10 O ATOM 1366 CB ASN A 88 -18.749 -29.036 -14.872 1.00 3.21 C ATOM 1367 CG ASN A 88 -20.146 -28.493 -14.638 1.00 65.41 C ATOM 1368 OD1 ASN A 88 -21.127 -29.235 -14.684 1.00 31.12 O ATOM 1369 ND2 ASN A 88 -20.241 -27.193 -14.386 1.00 63.11 N ATOM 0 H ASN A 88 -16.115 -27.649 -13.839 1.00 2.12 H new ATOM 0 HA ASN A 88 -18.182 -27.973 -13.091 1.00 70.51 H new ATOM 0 HB2 ASN A 88 -18.311 -28.543 -15.740 1.00 3.21 H new ATOM 0 HB3 ASN A 88 -18.810 -30.099 -15.106 1.00 3.21 H new ATOM 0 HD21 ASN A 88 -21.155 -26.771 -14.221 1.00 63.11 H new ATOM 0 HD22 ASN A 88 -19.400 -26.616 -14.358 1.00 63.11 H new ATOM 1376 N GLY A 89 -16.994 -30.113 -11.778 1.00 61.11 N ATOM 1377 CA GLY A 89 -16.957 -31.238 -10.862 1.00 0.11 C ATOM 1378 C GLY A 89 -15.822 -31.134 -9.862 1.00 72.43 C ATOM 1379 O GLY A 89 -15.877 -31.731 -8.787 1.00 2.01 O ATOM 0 H GLY A 89 -16.294 -29.393 -11.600 1.00 61.11 H new ATOM 0 HA2 GLY A 89 -17.905 -31.298 -10.327 1.00 0.11 H new ATOM 0 HA3 GLY A 89 -16.853 -32.162 -11.430 1.00 0.11 H new ATOM 1383 N SER A 90 -14.790 -30.376 -10.218 1.00 22.43 N ATOM 1384 CA SER A 90 -13.634 -30.201 -9.346 1.00 31.22 C ATOM 1385 C SER A 90 -13.880 -29.084 -8.336 1.00 30.52 C ATOM 1386 O SER A 90 -13.921 -27.907 -8.693 1.00 71.24 O ATOM 1387 CB SER A 90 -12.386 -29.889 -10.174 1.00 73.42 C ATOM 1388 OG SER A 90 -12.293 -30.747 -11.299 1.00 12.24 O ATOM 0 H SER A 90 -14.730 -29.873 -11.104 1.00 22.43 H new ATOM 0 HA SER A 90 -13.477 -31.132 -8.802 1.00 31.22 H new ATOM 0 HB2 SER A 90 -12.416 -28.851 -10.506 1.00 73.42 H new ATOM 0 HB3 SER A 90 -11.497 -30.000 -9.553 1.00 73.42 H new ATOM 0 HG SER A 90 -11.841 -31.577 -11.041 1.00 12.24 H new ATOM 1394 N ARG A 91 -14.043 -29.463 -7.072 1.00 60.34 N ATOM 1395 CA ARG A 91 -14.286 -28.495 -6.010 1.00 31.22 C ATOM 1396 C ARG A 91 -13.097 -28.424 -5.056 1.00 61.24 C ATOM 1397 O ARG A 91 -12.265 -29.331 -5.017 1.00 42.21 O ATOM 1398 CB ARG A 91 -15.553 -28.863 -5.235 1.00 70.44 C ATOM 1399 CG ARG A 91 -16.604 -27.765 -5.230 1.00 31.43 C ATOM 1400 CD ARG A 91 -16.120 -26.535 -4.479 1.00 13.14 C ATOM 1401 NE ARG A 91 -17.229 -25.740 -3.958 1.00 34.54 N ATOM 1402 CZ ARG A 91 -17.123 -24.924 -2.915 1.00 22.31 C ATOM 1403 NH1 ARG A 91 -15.963 -24.795 -2.286 1.00 21.53 N ATOM 1404 NH2 ARG A 91 -18.178 -24.235 -2.500 1.00 43.41 N ATOM 0 H ARG A 91 -14.011 -30.433 -6.759 1.00 60.34 H new ATOM 0 HA ARG A 91 -14.420 -27.516 -6.470 1.00 31.22 H new ATOM 0 HB2 ARG A 91 -15.984 -29.765 -5.668 1.00 70.44 H new ATOM 0 HB3 ARG A 91 -15.283 -29.101 -4.206 1.00 70.44 H new ATOM 0 HG2 ARG A 91 -16.852 -27.492 -6.256 1.00 31.43 H new ATOM 0 HG3 ARG A 91 -17.519 -28.138 -4.769 1.00 31.43 H new ATOM 0 HD2 ARG A 91 -15.477 -26.843 -3.655 1.00 13.14 H new ATOM 0 HD3 ARG A 91 -15.514 -25.920 -5.144 1.00 13.14 H new ATOM 0 HE ARG A 91 -18.135 -25.815 -4.421 1.00 34.54 H new ATOM 0 HH11 ARG A 91 -15.150 -25.323 -2.603 1.00 21.53 H new ATOM 0 HH12 ARG A 91 -15.884 -24.168 -1.485 1.00 21.53 H new ATOM 0 HH21 ARG A 91 -19.072 -24.331 -2.982 1.00 43.41 H new ATOM 0 HH22 ARG A 91 -18.095 -23.609 -1.699 1.00 43.41 H new ATOM 1418 N TYR A 92 -13.023 -27.342 -4.290 1.00 54.53 N ATOM 1419 CA TYR A 92 -11.935 -27.151 -3.339 1.00 42.43 C ATOM 1420 C TYR A 92 -11.783 -28.368 -2.433 1.00 33.41 C ATOM 1421 O TYR A 92 -12.761 -28.951 -1.964 1.00 73.34 O ATOM 1422 CB TYR A 92 -12.181 -25.900 -2.494 1.00 52.44 C ATOM 1423 CG TYR A 92 -11.012 -25.526 -1.611 1.00 55.51 C ATOM 1424 CD1 TYR A 92 -10.578 -26.377 -0.603 1.00 32.23 C ATOM 1425 CD2 TYR A 92 -10.343 -24.320 -1.784 1.00 31.40 C ATOM 1426 CE1 TYR A 92 -9.511 -26.040 0.207 1.00 12.53 C ATOM 1427 CE2 TYR A 92 -9.274 -23.975 -0.980 1.00 34.23 C ATOM 1428 CZ TYR A 92 -8.862 -24.838 0.015 1.00 53.25 C ATOM 1429 OH TYR A 92 -7.799 -24.497 0.819 1.00 50.13 O ATOM 0 H TYR A 92 -13.704 -26.583 -4.309 1.00 54.53 H new ATOM 0 HA TYR A 92 -11.012 -27.024 -3.904 1.00 42.43 H new ATOM 0 HB2 TYR A 92 -12.408 -25.064 -3.155 1.00 52.44 H new ATOM 0 HB3 TYR A 92 -13.060 -26.060 -1.870 1.00 52.44 H new ATOM 0 HD1 TYR A 92 -11.084 -27.319 -0.450 1.00 32.23 H new ATOM 0 HD2 TYR A 92 -10.664 -23.641 -2.560 1.00 31.40 H new ATOM 0 HE1 TYR A 92 -9.187 -26.714 0.986 1.00 12.53 H new ATOM 0 HE2 TYR A 92 -8.763 -23.035 -1.129 1.00 34.23 H new ATOM 0 HH TYR A 92 -7.728 -23.521 0.870 1.00 50.13 H new ATOM 1439 N PRO A 93 -10.527 -28.763 -2.179 1.00 3.45 N ATOM 1440 CA PRO A 93 -9.355 -28.077 -2.731 1.00 42.11 C ATOM 1441 C PRO A 93 -9.219 -28.283 -4.236 1.00 1.41 C ATOM 1442 O PRO A 93 -8.553 -27.507 -4.920 1.00 3.10 O ATOM 1443 CB PRO A 93 -8.182 -28.729 -1.994 1.00 52.12 C ATOM 1444 CG PRO A 93 -8.683 -30.076 -1.602 1.00 13.25 C ATOM 1445 CD PRO A 93 -10.153 -29.908 -1.332 1.00 73.43 C ATOM 0 HA PRO A 93 -9.414 -26.997 -2.596 1.00 42.11 H new ATOM 0 HB2 PRO A 93 -7.304 -28.804 -2.636 1.00 52.12 H new ATOM 0 HB3 PRO A 93 -7.890 -28.146 -1.121 1.00 52.12 H new ATOM 0 HG2 PRO A 93 -8.513 -30.802 -2.397 1.00 13.25 H new ATOM 0 HG3 PRO A 93 -8.163 -30.444 -0.717 1.00 13.25 H new ATOM 0 HD2 PRO A 93 -10.715 -30.804 -1.596 1.00 73.43 H new ATOM 0 HD3 PRO A 93 -10.348 -29.709 -0.278 1.00 73.43 H new ATOM 1453 N ASN A 94 -9.855 -29.333 -4.745 1.00 11.41 N ATOM 1454 CA ASN A 94 -9.805 -29.640 -6.170 1.00 3.04 C ATOM 1455 C ASN A 94 -10.251 -28.441 -7.001 1.00 5.11 C ATOM 1456 O ASN A 94 -11.426 -28.074 -7.001 1.00 71.22 O ATOM 1457 CB ASN A 94 -10.688 -30.849 -6.483 1.00 72.13 C ATOM 1458 CG ASN A 94 -10.941 -31.713 -5.263 1.00 12.44 C ATOM 1459 OD1 ASN A 94 -12.088 -31.945 -4.880 1.00 1.13 O ATOM 1460 ND2 ASN A 94 -9.868 -32.193 -4.645 1.00 10.50 N ATOM 0 H ASN A 94 -10.411 -29.986 -4.192 1.00 11.41 H new ATOM 0 HA ASN A 94 -8.773 -29.875 -6.430 1.00 3.04 H new ATOM 0 HB2 ASN A 94 -11.641 -30.505 -6.885 1.00 72.13 H new ATOM 0 HB3 ASN A 94 -10.214 -31.450 -7.258 1.00 72.13 H new ATOM 0 HD21 ASN A 94 -9.976 -32.780 -3.818 1.00 10.50 H new ATOM 0 HD22 ASN A 94 -8.936 -31.975 -4.998 1.00 10.50 H new ATOM 1467 N CYS A 95 -9.304 -27.834 -7.709 1.00 1.00 N ATOM 1468 CA CYS A 95 -9.597 -26.676 -8.545 1.00 74.42 C ATOM 1469 C CYS A 95 -9.302 -26.976 -10.012 1.00 71.20 C ATOM 1470 O CYS A 95 -9.165 -26.064 -10.827 1.00 71.51 O ATOM 1471 CB CYS A 95 -8.779 -25.468 -8.085 1.00 71.24 C ATOM 1472 SG CYS A 95 -9.550 -24.518 -6.736 1.00 55.44 S ATOM 0 H CYS A 95 -8.327 -28.125 -7.720 1.00 1.00 H new ATOM 0 HA CYS A 95 -10.658 -26.446 -8.445 1.00 74.42 H new ATOM 0 HB2 CYS A 95 -7.797 -25.811 -7.759 1.00 71.24 H new ATOM 0 HB3 CYS A 95 -8.619 -24.806 -8.936 1.00 71.24 H new ATOM 1477 N ALA A 96 -9.206 -28.260 -10.340 1.00 22.50 N ATOM 1478 CA ALA A 96 -8.929 -28.681 -11.708 1.00 14.10 C ATOM 1479 C ALA A 96 -9.761 -27.883 -12.706 1.00 52.23 C ATOM 1480 O ALA A 96 -10.950 -28.145 -12.888 1.00 73.23 O ATOM 1481 CB ALA A 96 -9.197 -30.170 -11.867 1.00 21.34 C ATOM 0 H ALA A 96 -9.316 -29.027 -9.677 1.00 22.50 H new ATOM 0 HA ALA A 96 -7.876 -28.489 -11.915 1.00 14.10 H new ATOM 0 HB1 ALA A 96 -8.986 -30.470 -12.893 1.00 21.34 H new ATOM 0 HB2 ALA A 96 -8.556 -30.730 -11.186 1.00 21.34 H new ATOM 0 HB3 ALA A 96 -10.242 -30.378 -11.636 1.00 21.34 H new ATOM 1487 N TYR A 97 -9.129 -26.908 -13.350 1.00 10.11 N ATOM 1488 CA TYR A 97 -9.812 -26.069 -14.328 1.00 30.33 C ATOM 1489 C TYR A 97 -9.565 -26.575 -15.746 1.00 15.11 C ATOM 1490 O TYR A 97 -8.845 -27.552 -15.952 1.00 41.41 O ATOM 1491 CB TYR A 97 -9.343 -24.619 -14.203 1.00 12.31 C ATOM 1492 CG TYR A 97 -9.444 -24.069 -12.798 1.00 41.51 C ATOM 1493 CD1 TYR A 97 -10.627 -24.166 -12.076 1.00 72.21 C ATOM 1494 CD2 TYR A 97 -8.357 -23.450 -12.193 1.00 63.31 C ATOM 1495 CE1 TYR A 97 -10.724 -23.665 -10.793 1.00 13.54 C ATOM 1496 CE2 TYR A 97 -8.444 -22.947 -10.910 1.00 33.14 C ATOM 1497 CZ TYR A 97 -9.630 -23.056 -10.214 1.00 31.44 C ATOM 1498 OH TYR A 97 -9.722 -22.555 -8.935 1.00 63.04 O ATOM 0 H TYR A 97 -8.145 -26.679 -13.212 1.00 10.11 H new ATOM 0 HA TYR A 97 -10.882 -26.116 -14.126 1.00 30.33 H new ATOM 0 HB2 TYR A 97 -8.308 -24.551 -14.537 1.00 12.31 H new ATOM 0 HB3 TYR A 97 -9.936 -23.995 -14.872 1.00 12.31 H new ATOM 0 HD1 TYR A 97 -11.486 -24.642 -12.526 1.00 72.21 H new ATOM 0 HD2 TYR A 97 -7.428 -23.361 -12.736 1.00 63.31 H new ATOM 0 HE1 TYR A 97 -11.651 -23.749 -10.246 1.00 13.54 H new ATOM 0 HE2 TYR A 97 -7.588 -22.471 -10.454 1.00 33.14 H new ATOM 0 HH TYR A 97 -9.989 -23.271 -8.322 1.00 63.04 H new ATOM 1508 N ARG A 98 -10.169 -25.902 -16.720 1.00 41.02 N ATOM 1509 CA ARG A 98 -10.016 -26.282 -18.119 1.00 73.14 C ATOM 1510 C ARG A 98 -9.284 -25.196 -18.901 1.00 41.42 C ATOM 1511 O ARG A 98 -9.857 -24.156 -19.227 1.00 55.33 O ATOM 1512 CB ARG A 98 -11.385 -26.545 -18.751 1.00 22.13 C ATOM 1513 CG ARG A 98 -11.657 -28.015 -19.025 1.00 23.23 C ATOM 1514 CD ARG A 98 -12.847 -28.520 -18.224 1.00 62.21 C ATOM 1515 NE ARG A 98 -13.164 -29.912 -18.533 1.00 44.14 N ATOM 1516 CZ ARG A 98 -13.675 -30.309 -19.693 1.00 52.12 C ATOM 1517 NH1 ARG A 98 -13.926 -29.424 -20.648 1.00 70.34 N ATOM 1518 NH2 ARG A 98 -13.936 -31.593 -19.900 1.00 34.44 N ATOM 0 H ARG A 98 -10.769 -25.091 -16.566 1.00 41.02 H new ATOM 0 HA ARG A 98 -9.423 -27.196 -18.158 1.00 73.14 H new ATOM 0 HB2 ARG A 98 -12.161 -26.158 -18.091 1.00 22.13 H new ATOM 0 HB3 ARG A 98 -11.456 -25.990 -19.687 1.00 22.13 H new ATOM 0 HG2 ARG A 98 -11.846 -28.159 -20.089 1.00 23.23 H new ATOM 0 HG3 ARG A 98 -10.773 -28.602 -18.775 1.00 23.23 H new ATOM 0 HD2 ARG A 98 -12.634 -28.425 -17.159 1.00 62.21 H new ATOM 0 HD3 ARG A 98 -13.716 -27.896 -18.433 1.00 62.21 H new ATOM 0 HE ARG A 98 -12.983 -30.618 -17.819 1.00 44.14 H new ATOM 0 HH11 ARG A 98 -13.727 -28.436 -20.493 1.00 70.34 H new ATOM 0 HH12 ARG A 98 -14.318 -29.731 -21.538 1.00 70.34 H new ATOM 0 HH21 ARG A 98 -13.744 -32.277 -19.168 1.00 34.44 H new ATOM 0 HH22 ARG A 98 -14.328 -31.896 -20.791 1.00 34.44 H new ATOM 1532 N THR A 99 -8.012 -25.443 -19.199 1.00 70.20 N ATOM 1533 CA THR A 99 -7.200 -24.486 -19.941 1.00 35.45 C ATOM 1534 C THR A 99 -7.508 -24.544 -21.432 1.00 62.45 C ATOM 1535 O THR A 99 -7.102 -25.478 -22.124 1.00 23.53 O ATOM 1536 CB THR A 99 -5.696 -24.741 -19.727 1.00 74.45 C ATOM 1537 OG1 THR A 99 -5.428 -24.956 -18.337 1.00 41.24 O ATOM 1538 CG2 THR A 99 -4.872 -23.567 -20.233 1.00 65.53 C ATOM 0 H THR A 99 -7.522 -26.298 -18.938 1.00 70.20 H new ATOM 0 HA THR A 99 -7.450 -23.496 -19.560 1.00 35.45 H new ATOM 0 HB THR A 99 -5.416 -25.631 -20.291 1.00 74.45 H new ATOM 0 HG1 THR A 99 -4.780 -25.684 -18.238 1.00 41.24 H new ATOM 0 HG21 THR A 99 -3.813 -23.769 -20.072 1.00 65.53 H new ATOM 0 HG22 THR A 99 -5.056 -23.425 -21.298 1.00 65.53 H new ATOM 0 HG23 THR A 99 -5.155 -22.664 -19.693 1.00 65.53 H new ATOM 1546 N SER A 100 -8.227 -23.540 -21.923 1.00 61.04 N ATOM 1547 CA SER A 100 -8.591 -23.479 -23.334 1.00 14.20 C ATOM 1548 C SER A 100 -7.783 -22.406 -24.058 1.00 31.32 C ATOM 1549 O SER A 100 -8.078 -21.213 -23.981 1.00 63.35 O ATOM 1550 CB SER A 100 -10.087 -23.194 -23.484 1.00 71.51 C ATOM 1551 OG SER A 100 -10.586 -23.717 -24.703 1.00 63.32 O ATOM 0 H SER A 100 -8.569 -22.758 -21.365 1.00 61.04 H new ATOM 0 HA SER A 100 -8.365 -24.445 -23.784 1.00 14.20 H new ATOM 0 HB2 SER A 100 -10.630 -23.633 -22.647 1.00 71.51 H new ATOM 0 HB3 SER A 100 -10.261 -22.119 -23.448 1.00 71.51 H new ATOM 0 HG SER A 100 -11.544 -23.523 -24.774 1.00 63.32 H new ATOM 1557 N PRO A 101 -6.738 -22.840 -24.778 1.00 40.32 N ATOM 1558 CA PRO A 101 -5.865 -21.934 -25.531 1.00 10.23 C ATOM 1559 C PRO A 101 -6.568 -21.321 -26.737 1.00 43.12 C ATOM 1560 O PRO A 101 -7.116 -22.034 -27.578 1.00 42.21 O ATOM 1561 CB PRO A 101 -4.718 -22.841 -25.984 1.00 33.14 C ATOM 1562 CG PRO A 101 -5.308 -24.209 -26.018 1.00 53.42 C ATOM 1563 CD PRO A 101 -6.328 -24.248 -24.914 1.00 53.41 C ATOM 0 HA PRO A 101 -5.542 -21.085 -24.929 1.00 10.23 H new ATOM 0 HB2 PRO A 101 -4.344 -22.547 -26.965 1.00 33.14 H new ATOM 0 HB3 PRO A 101 -3.876 -22.790 -25.293 1.00 33.14 H new ATOM 0 HG2 PRO A 101 -5.771 -24.410 -26.984 1.00 53.42 H new ATOM 0 HG3 PRO A 101 -4.541 -24.969 -25.868 1.00 53.42 H new ATOM 0 HD2 PRO A 101 -7.172 -24.889 -25.169 1.00 53.41 H new ATOM 0 HD3 PRO A 101 -5.903 -24.634 -23.988 1.00 53.41 H new ATOM 1571 N LYS A 102 -6.548 -19.995 -26.817 1.00 3.30 N ATOM 1572 CA LYS A 102 -7.181 -19.285 -27.922 1.00 13.54 C ATOM 1573 C LYS A 102 -6.707 -17.836 -27.980 1.00 55.21 C ATOM 1574 O LYS A 102 -6.033 -17.357 -27.069 1.00 61.31 O ATOM 1575 CB LYS A 102 -8.704 -19.329 -27.777 1.00 11.21 C ATOM 1576 CG LYS A 102 -9.395 -20.135 -28.863 1.00 31.33 C ATOM 1577 CD LYS A 102 -10.907 -20.024 -28.763 1.00 52.35 C ATOM 1578 CE LYS A 102 -11.591 -20.616 -29.986 1.00 53.21 C ATOM 1579 NZ LYS A 102 -12.734 -19.777 -30.443 1.00 44.12 N ATOM 0 H LYS A 102 -6.100 -19.390 -26.129 1.00 3.30 H new ATOM 0 HA LYS A 102 -6.896 -19.780 -28.850 1.00 13.54 H new ATOM 0 HB2 LYS A 102 -8.956 -19.753 -26.805 1.00 11.21 H new ATOM 0 HB3 LYS A 102 -9.091 -18.310 -27.790 1.00 11.21 H new ATOM 0 HG2 LYS A 102 -9.067 -19.784 -29.842 1.00 31.33 H new ATOM 0 HG3 LYS A 102 -9.100 -21.181 -28.784 1.00 31.33 H new ATOM 0 HD2 LYS A 102 -11.252 -20.539 -27.867 1.00 52.35 H new ATOM 0 HD3 LYS A 102 -11.190 -18.977 -28.658 1.00 52.35 H new ATOM 0 HE2 LYS A 102 -10.867 -20.715 -30.795 1.00 53.21 H new ATOM 0 HE3 LYS A 102 -11.947 -21.619 -29.753 1.00 53.21 H new ATOM 0 HZ1 LYS A 102 -13.173 -20.214 -31.278 1.00 44.12 H new ATOM 0 HZ2 LYS A 102 -13.437 -19.703 -29.680 1.00 44.12 H new ATOM 0 HZ3 LYS A 102 -12.390 -18.827 -30.690 1.00 44.12 H new ATOM 1593 N GLU A 103 -7.067 -17.143 -29.057 1.00 24.43 N ATOM 1594 CA GLU A 103 -6.678 -15.749 -29.232 1.00 2.01 C ATOM 1595 C GLU A 103 -7.788 -14.957 -29.916 1.00 42.54 C ATOM 1596 O GLU A 103 -7.967 -15.041 -31.132 1.00 4.05 O ATOM 1597 CB GLU A 103 -5.389 -15.655 -30.052 1.00 11.14 C ATOM 1598 CG GLU A 103 -5.366 -16.578 -31.258 1.00 33.41 C ATOM 1599 CD GLU A 103 -4.201 -16.296 -32.187 1.00 33.13 C ATOM 1600 OE1 GLU A 103 -4.255 -15.281 -32.913 1.00 24.24 O ATOM 1601 OE2 GLU A 103 -3.237 -17.090 -32.188 1.00 52.51 O ATOM 0 H GLU A 103 -7.627 -17.524 -29.820 1.00 24.43 H new ATOM 0 HA GLU A 103 -6.504 -15.320 -28.245 1.00 2.01 H new ATOM 0 HB2 GLU A 103 -5.257 -14.627 -30.389 1.00 11.14 H new ATOM 0 HB3 GLU A 103 -4.541 -15.890 -29.409 1.00 11.14 H new ATOM 0 HG2 GLU A 103 -5.313 -17.612 -30.918 1.00 33.41 H new ATOM 0 HG3 GLU A 103 -6.300 -16.472 -31.810 1.00 33.41 H new ATOM 1608 N ARG A 104 -8.531 -14.188 -29.127 1.00 42.52 N ATOM 1609 CA ARG A 104 -9.625 -13.381 -29.656 1.00 25.43 C ATOM 1610 C ARG A 104 -9.802 -12.104 -28.840 1.00 61.01 C ATOM 1611 O ARG A 104 -9.165 -11.924 -27.802 1.00 22.44 O ATOM 1612 CB ARG A 104 -10.926 -14.185 -29.654 1.00 31.22 C ATOM 1613 CG ARG A 104 -11.614 -14.233 -31.008 1.00 73.22 C ATOM 1614 CD ARG A 104 -10.926 -15.210 -31.949 1.00 4.42 C ATOM 1615 NE ARG A 104 -11.837 -16.246 -32.425 1.00 74.14 N ATOM 1616 CZ ARG A 104 -12.628 -16.100 -33.483 1.00 2.11 C ATOM 1617 NH1 ARG A 104 -12.618 -14.966 -34.171 1.00 22.44 N ATOM 1618 NH2 ARG A 104 -13.430 -17.089 -33.855 1.00 32.22 N ATOM 0 H ARG A 104 -8.396 -14.106 -28.119 1.00 42.52 H new ATOM 0 HA ARG A 104 -9.378 -13.105 -30.681 1.00 25.43 H new ATOM 0 HB2 ARG A 104 -10.714 -15.203 -29.328 1.00 31.22 H new ATOM 0 HB3 ARG A 104 -11.610 -13.752 -28.924 1.00 31.22 H new ATOM 0 HG2 ARG A 104 -12.656 -14.525 -30.878 1.00 73.22 H new ATOM 0 HG3 ARG A 104 -11.615 -13.238 -31.452 1.00 73.22 H new ATOM 0 HD2 ARG A 104 -10.519 -14.666 -32.801 1.00 4.42 H new ATOM 0 HD3 ARG A 104 -10.084 -15.675 -31.436 1.00 4.42 H new ATOM 0 HE ARG A 104 -11.868 -17.131 -31.918 1.00 74.14 H new ATOM 0 HH11 ARG A 104 -12.002 -14.203 -33.888 1.00 22.44 H new ATOM 0 HH12 ARG A 104 -13.226 -14.857 -34.983 1.00 22.44 H new ATOM 0 HH21 ARG A 104 -13.440 -17.963 -33.329 1.00 32.22 H new ATOM 0 HH22 ARG A 104 -14.037 -16.976 -34.667 1.00 32.22 H new ATOM 1632 N HIS A 105 -10.671 -11.219 -29.318 1.00 12.14 N ATOM 1633 CA HIS A 105 -10.932 -9.958 -28.633 1.00 15.12 C ATOM 1634 C HIS A 105 -11.275 -10.197 -27.165 1.00 63.34 C ATOM 1635 O HIS A 105 -11.340 -11.340 -26.712 1.00 74.32 O ATOM 1636 CB HIS A 105 -12.074 -9.208 -29.319 1.00 53.41 C ATOM 1637 CG HIS A 105 -11.972 -9.199 -30.813 1.00 55.33 C ATOM 1638 ND1 HIS A 105 -11.619 -8.079 -31.537 1.00 24.51 N ATOM 1639 CD2 HIS A 105 -12.179 -10.182 -31.721 1.00 2.34 C ATOM 1640 CE1 HIS A 105 -11.613 -8.374 -32.825 1.00 14.13 C ATOM 1641 NE2 HIS A 105 -11.949 -9.644 -32.963 1.00 54.21 N ATOM 0 H HIS A 105 -11.206 -11.352 -30.176 1.00 12.14 H new ATOM 0 HA HIS A 105 -10.027 -9.352 -28.683 1.00 15.12 H new ATOM 0 HB2 HIS A 105 -13.022 -9.663 -29.030 1.00 53.41 H new ATOM 0 HB3 HIS A 105 -12.091 -8.180 -28.958 1.00 53.41 H new ATOM 0 HD2 HIS A 105 -12.471 -11.200 -31.508 1.00 2.34 H new ATOM 0 HE1 HIS A 105 -11.374 -7.693 -33.628 1.00 14.13 H new ATOM 0 HE2 HIS A 105 -12.025 -10.144 -33.849 1.00 54.21 H new ATOM 1649 N ILE A 106 -11.491 -9.113 -26.429 1.00 2.22 N ATOM 1650 CA ILE A 106 -11.826 -9.206 -25.013 1.00 54.24 C ATOM 1651 C ILE A 106 -12.486 -7.923 -24.520 1.00 15.15 C ATOM 1652 O ILE A 106 -12.238 -6.841 -25.052 1.00 1.44 O ATOM 1653 CB ILE A 106 -10.579 -9.491 -24.156 1.00 42.35 C ATOM 1654 CG1 ILE A 106 -9.309 -9.129 -24.930 1.00 21.24 C ATOM 1655 CG2 ILE A 106 -10.550 -10.952 -23.733 1.00 3.54 C ATOM 1656 CD1 ILE A 106 -8.055 -9.172 -24.085 1.00 43.41 C ATOM 0 H ILE A 106 -11.440 -8.160 -26.789 1.00 2.22 H new ATOM 0 HA ILE A 106 -12.525 -10.036 -24.908 1.00 54.24 H new ATOM 0 HB ILE A 106 -10.623 -8.874 -23.258 1.00 42.35 H new ATOM 0 HG12 ILE A 106 -9.196 -9.816 -25.769 1.00 21.24 H new ATOM 0 HG13 ILE A 106 -9.421 -8.129 -25.349 1.00 21.24 H new ATOM 0 HG21 ILE A 106 -9.663 -11.138 -23.128 1.00 3.54 H new ATOM 0 HG22 ILE A 106 -11.442 -11.179 -23.149 1.00 3.54 H new ATOM 0 HG23 ILE A 106 -10.525 -11.587 -24.619 1.00 3.54 H new ATOM 0 HD11 ILE A 106 -7.194 -8.905 -24.698 1.00 43.41 H new ATOM 0 HD12 ILE A 106 -8.147 -8.465 -23.261 1.00 43.41 H new ATOM 0 HD13 ILE A 106 -7.919 -10.178 -23.687 1.00 43.41 H new ATOM 1668 N ILE A 107 -13.327 -8.052 -23.498 1.00 42.34 N ATOM 1669 CA ILE A 107 -14.020 -6.902 -22.931 1.00 32.13 C ATOM 1670 C ILE A 107 -13.689 -6.736 -21.452 1.00 3.44 C ATOM 1671 O ILE A 107 -14.020 -7.591 -20.630 1.00 4.41 O ATOM 1672 CB ILE A 107 -15.547 -7.029 -23.092 1.00 25.20 C ATOM 1673 CG1 ILE A 107 -15.883 -8.020 -24.208 1.00 65.41 C ATOM 1674 CG2 ILE A 107 -16.164 -5.669 -23.381 1.00 3.13 C ATOM 1675 CD1 ILE A 107 -17.349 -8.386 -24.270 1.00 60.20 C ATOM 0 H ILE A 107 -13.544 -8.941 -23.047 1.00 42.34 H new ATOM 0 HA ILE A 107 -13.677 -6.025 -23.479 1.00 32.13 H new ATOM 0 HB ILE A 107 -15.966 -7.405 -22.159 1.00 25.20 H new ATOM 0 HG12 ILE A 107 -15.583 -7.593 -25.165 1.00 65.41 H new ATOM 0 HG13 ILE A 107 -15.296 -8.927 -24.066 1.00 65.41 H new ATOM 0 HG21 ILE A 107 -17.243 -5.775 -23.492 1.00 3.13 H new ATOM 0 HG22 ILE A 107 -15.949 -4.989 -22.556 1.00 3.13 H new ATOM 0 HG23 ILE A 107 -15.742 -5.266 -24.302 1.00 3.13 H new ATOM 0 HD11 ILE A 107 -17.514 -9.092 -25.084 1.00 60.20 H new ATOM 0 HD12 ILE A 107 -17.650 -8.843 -23.327 1.00 60.20 H new ATOM 0 HD13 ILE A 107 -17.941 -7.488 -24.443 1.00 60.20 H new ATOM 1687 N VAL A 108 -13.034 -5.628 -21.118 1.00 51.45 N ATOM 1688 CA VAL A 108 -12.660 -5.347 -19.738 1.00 11.54 C ATOM 1689 C VAL A 108 -13.203 -3.996 -19.285 1.00 53.22 C ATOM 1690 O VAL A 108 -13.479 -3.120 -20.105 1.00 21.13 O ATOM 1691 CB VAL A 108 -11.131 -5.359 -19.557 1.00 24.13 C ATOM 1692 CG1 VAL A 108 -10.644 -6.761 -19.222 1.00 42.22 C ATOM 1693 CG2 VAL A 108 -10.442 -4.831 -20.806 1.00 54.32 C ATOM 0 H VAL A 108 -12.752 -4.910 -21.786 1.00 51.45 H new ATOM 0 HA VAL A 108 -13.097 -6.135 -19.125 1.00 11.54 H new ATOM 0 HB VAL A 108 -10.876 -4.703 -18.725 1.00 24.13 H new ATOM 0 HG11 VAL A 108 -9.561 -6.750 -19.098 1.00 42.22 H new ATOM 0 HG12 VAL A 108 -11.112 -7.097 -18.297 1.00 42.22 H new ATOM 0 HG13 VAL A 108 -10.909 -7.441 -20.031 1.00 42.22 H new ATOM 0 HG21 VAL A 108 -9.362 -4.847 -20.660 1.00 54.32 H new ATOM 0 HG22 VAL A 108 -10.702 -5.459 -21.658 1.00 54.32 H new ATOM 0 HG23 VAL A 108 -10.767 -3.808 -20.996 1.00 54.32 H new ATOM 1703 N ALA A 109 -13.354 -3.834 -17.975 1.00 13.22 N ATOM 1704 CA ALA A 109 -13.862 -2.589 -17.413 1.00 12.45 C ATOM 1705 C ALA A 109 -12.746 -1.792 -16.745 1.00 51.15 C ATOM 1706 O ALA A 109 -12.330 -2.101 -15.629 1.00 34.55 O ATOM 1707 CB ALA A 109 -14.977 -2.875 -16.417 1.00 4.21 C ATOM 0 H ALA A 109 -13.132 -4.550 -17.283 1.00 13.22 H new ATOM 0 HA ALA A 109 -14.264 -1.989 -18.229 1.00 12.45 H new ATOM 0 HB1 ALA A 109 -15.347 -1.936 -16.005 1.00 4.21 H new ATOM 0 HB2 ALA A 109 -15.791 -3.396 -16.922 1.00 4.21 H new ATOM 0 HB3 ALA A 109 -14.593 -3.499 -15.610 1.00 4.21 H new ATOM 1713 N CYS A 110 -12.264 -0.765 -17.437 1.00 41.21 N ATOM 1714 CA CYS A 110 -11.195 0.076 -16.913 1.00 2.32 C ATOM 1715 C CYS A 110 -11.762 1.336 -16.264 1.00 70.05 C ATOM 1716 O CYS A 110 -12.853 1.787 -16.612 1.00 31.45 O ATOM 1717 CB CYS A 110 -10.223 0.458 -18.031 1.00 51.41 C ATOM 1718 SG CYS A 110 -10.970 0.474 -19.692 1.00 73.44 S ATOM 0 H CYS A 110 -12.597 -0.495 -18.363 1.00 41.21 H new ATOM 0 HA CYS A 110 -10.659 -0.493 -16.153 1.00 2.32 H new ATOM 0 HB2 CYS A 110 -9.812 1.445 -17.819 1.00 51.41 H new ATOM 0 HB3 CYS A 110 -9.388 -0.242 -18.027 1.00 51.41 H new ATOM 1723 N GLU A 111 -11.012 1.898 -15.322 1.00 14.54 N ATOM 1724 CA GLU A 111 -11.441 3.106 -14.625 1.00 31.42 C ATOM 1725 C GLU A 111 -10.265 3.773 -13.919 1.00 24.05 C ATOM 1726 O GLU A 111 -9.142 3.271 -13.950 1.00 21.13 O ATOM 1727 CB GLU A 111 -12.537 2.773 -13.610 1.00 54.53 C ATOM 1728 CG GLU A 111 -13.504 3.919 -13.362 1.00 73.02 C ATOM 1729 CD GLU A 111 -13.482 4.400 -11.924 1.00 52.13 C ATOM 1730 OE1 GLU A 111 -12.630 5.253 -11.598 1.00 22.42 O ATOM 1731 OE2 GLU A 111 -14.316 3.924 -11.126 1.00 52.41 O ATOM 0 H GLU A 111 -10.106 1.537 -15.024 1.00 14.54 H new ATOM 0 HA GLU A 111 -11.839 3.800 -15.365 1.00 31.42 H new ATOM 0 HB2 GLU A 111 -13.096 1.906 -13.963 1.00 54.53 H new ATOM 0 HB3 GLU A 111 -12.072 2.490 -12.666 1.00 54.53 H new ATOM 0 HG2 GLU A 111 -13.255 4.749 -14.023 1.00 73.02 H new ATOM 0 HG3 GLU A 111 -14.514 3.599 -13.619 1.00 73.02 H new ATOM 1738 N GLY A 112 -10.531 4.910 -13.282 1.00 72.40 N ATOM 1739 CA GLY A 112 -9.486 5.628 -12.578 1.00 4.32 C ATOM 1740 C GLY A 112 -8.437 6.192 -13.516 1.00 24.13 C ATOM 1741 O GLY A 112 -8.378 5.820 -14.688 1.00 13.42 O ATOM 0 H GLY A 112 -11.452 5.346 -13.242 1.00 72.40 H new ATOM 0 HA2 GLY A 112 -9.931 6.441 -12.005 1.00 4.32 H new ATOM 0 HA3 GLY A 112 -9.008 4.958 -11.863 1.00 4.32 H new ATOM 1745 N SER A 113 -7.606 7.093 -13.000 1.00 34.21 N ATOM 1746 CA SER A 113 -6.558 7.713 -13.801 1.00 42.02 C ATOM 1747 C SER A 113 -5.181 7.216 -13.372 1.00 64.12 C ATOM 1748 O SER A 113 -4.820 7.247 -12.195 1.00 60.25 O ATOM 1749 CB SER A 113 -6.624 9.236 -13.676 1.00 15.33 C ATOM 1750 OG SER A 113 -7.378 9.803 -14.734 1.00 21.41 O ATOM 0 H SER A 113 -7.639 7.409 -12.031 1.00 34.21 H new ATOM 0 HA SER A 113 -6.718 7.434 -14.842 1.00 42.02 H new ATOM 0 HB2 SER A 113 -7.073 9.506 -12.720 1.00 15.33 H new ATOM 0 HB3 SER A 113 -5.615 9.649 -13.683 1.00 15.33 H new ATOM 0 HG SER A 113 -7.406 10.777 -14.630 1.00 21.41 H new ATOM 1756 N PRO A 114 -4.391 6.746 -14.350 1.00 34.24 N ATOM 1757 CA PRO A 114 -4.810 6.704 -15.754 1.00 31.42 C ATOM 1758 C PRO A 114 -5.901 5.668 -16.003 1.00 31.45 C ATOM 1759 O PRO A 114 -6.222 4.867 -15.124 1.00 60.21 O ATOM 1760 CB PRO A 114 -3.528 6.318 -16.495 1.00 25.10 C ATOM 1761 CG PRO A 114 -2.712 5.586 -15.486 1.00 33.24 C ATOM 1762 CD PRO A 114 -3.030 6.219 -14.159 1.00 63.30 C ATOM 0 HA PRO A 114 -5.239 7.652 -16.080 1.00 31.42 H new ATOM 0 HB2 PRO A 114 -3.744 5.690 -17.360 1.00 25.10 H new ATOM 0 HB3 PRO A 114 -3.004 7.199 -16.864 1.00 25.10 H new ATOM 0 HG2 PRO A 114 -2.958 4.524 -15.481 1.00 33.24 H new ATOM 0 HG3 PRO A 114 -1.649 5.666 -15.712 1.00 33.24 H new ATOM 0 HD2 PRO A 114 -2.991 5.492 -13.347 1.00 63.30 H new ATOM 0 HD3 PRO A 114 -2.323 7.011 -13.912 1.00 63.30 H new ATOM 1770 N TYR A 115 -6.467 5.688 -17.204 1.00 12.50 N ATOM 1771 CA TYR A 115 -7.524 4.752 -17.567 1.00 60.13 C ATOM 1772 C TYR A 115 -6.953 3.362 -17.830 1.00 32.41 C ATOM 1773 O TYR A 115 -6.386 3.101 -18.891 1.00 74.42 O ATOM 1774 CB TYR A 115 -8.273 5.250 -18.805 1.00 3.15 C ATOM 1775 CG TYR A 115 -9.760 5.415 -18.587 1.00 2.22 C ATOM 1776 CD1 TYR A 115 -10.261 5.808 -17.352 1.00 13.50 C ATOM 1777 CD2 TYR A 115 -10.663 5.177 -19.615 1.00 13.20 C ATOM 1778 CE1 TYR A 115 -11.619 5.960 -17.148 1.00 32.01 C ATOM 1779 CE2 TYR A 115 -12.023 5.328 -19.420 1.00 64.35 C ATOM 1780 CZ TYR A 115 -12.496 5.719 -18.185 1.00 63.03 C ATOM 1781 OH TYR A 115 -13.849 5.869 -17.987 1.00 72.51 O ATOM 0 H TYR A 115 -6.211 6.343 -17.943 1.00 12.50 H new ATOM 0 HA TYR A 115 -8.220 4.688 -16.731 1.00 60.13 H new ATOM 0 HB2 TYR A 115 -7.851 6.206 -19.114 1.00 3.15 H new ATOM 0 HB3 TYR A 115 -8.110 4.550 -19.624 1.00 3.15 H new ATOM 0 HD1 TYR A 115 -9.577 5.998 -16.538 1.00 13.50 H new ATOM 0 HD2 TYR A 115 -10.296 4.869 -20.583 1.00 13.20 H new ATOM 0 HE1 TYR A 115 -11.992 6.266 -16.182 1.00 32.01 H new ATOM 0 HE2 TYR A 115 -12.712 5.141 -20.231 1.00 64.35 H new ATOM 0 HH TYR A 115 -14.329 5.156 -18.457 1.00 72.51 H new ATOM 1791 N VAL A 116 -7.108 2.472 -16.855 1.00 22.33 N ATOM 1792 CA VAL A 116 -6.610 1.107 -16.979 1.00 72.13 C ATOM 1793 C VAL A 116 -7.668 0.095 -16.554 1.00 13.23 C ATOM 1794 O VAL A 116 -8.562 0.391 -15.760 1.00 72.04 O ATOM 1795 CB VAL A 116 -5.341 0.893 -16.133 1.00 71.31 C ATOM 1796 CG1 VAL A 116 -4.281 1.923 -16.490 1.00 42.23 C ATOM 1797 CG2 VAL A 116 -5.674 0.950 -14.650 1.00 12.41 C ATOM 0 H VAL A 116 -7.575 2.672 -15.970 1.00 22.33 H new ATOM 0 HA VAL A 116 -6.366 0.954 -18.030 1.00 72.13 H new ATOM 0 HB VAL A 116 -4.940 -0.096 -16.354 1.00 71.31 H new ATOM 0 HG11 VAL A 116 -3.392 1.756 -15.882 1.00 42.23 H new ATOM 0 HG12 VAL A 116 -4.022 1.829 -17.545 1.00 42.23 H new ATOM 0 HG13 VAL A 116 -4.668 2.924 -16.300 1.00 42.23 H new ATOM 0 HG21 VAL A 116 -4.766 0.797 -14.067 1.00 12.41 H new ATOM 0 HG22 VAL A 116 -6.099 1.924 -14.410 1.00 12.41 H new ATOM 0 HG23 VAL A 116 -6.396 0.170 -14.409 1.00 12.41 H new ATOM 1807 N PRO A 117 -7.567 -1.129 -17.092 1.00 63.10 N ATOM 1808 CA PRO A 117 -8.506 -2.211 -16.782 1.00 12.23 C ATOM 1809 C PRO A 117 -8.353 -2.720 -15.352 1.00 42.44 C ATOM 1810 O PRO A 117 -7.299 -3.231 -14.975 1.00 5.25 O ATOM 1811 CB PRO A 117 -8.129 -3.306 -17.783 1.00 13.05 C ATOM 1812 CG PRO A 117 -6.700 -3.044 -18.110 1.00 62.20 C ATOM 1813 CD PRO A 117 -6.526 -1.552 -18.045 1.00 15.13 C ATOM 0 HA PRO A 117 -9.543 -1.884 -16.858 1.00 12.23 H new ATOM 0 HB2 PRO A 117 -8.261 -4.299 -17.352 1.00 13.05 H new ATOM 0 HB3 PRO A 117 -8.754 -3.260 -18.675 1.00 13.05 H new ATOM 0 HG2 PRO A 117 -6.040 -3.545 -17.402 1.00 62.20 H new ATOM 0 HG3 PRO A 117 -6.451 -3.423 -19.101 1.00 62.20 H new ATOM 0 HD2 PRO A 117 -5.529 -1.278 -17.699 1.00 15.13 H new ATOM 0 HD3 PRO A 117 -6.663 -1.088 -19.022 1.00 15.13 H new ATOM 1821 N VAL A 118 -9.412 -2.577 -14.561 1.00 45.24 N ATOM 1822 CA VAL A 118 -9.395 -3.024 -13.174 1.00 2.33 C ATOM 1823 C VAL A 118 -10.374 -4.171 -12.954 1.00 61.51 C ATOM 1824 O VAL A 118 -10.693 -4.521 -11.817 1.00 54.52 O ATOM 1825 CB VAL A 118 -9.744 -1.874 -12.210 1.00 22.23 C ATOM 1826 CG1 VAL A 118 -8.678 -0.790 -12.263 1.00 21.44 C ATOM 1827 CG2 VAL A 118 -11.115 -1.302 -12.538 1.00 4.12 C ATOM 0 H VAL A 118 -10.292 -2.155 -14.858 1.00 45.24 H new ATOM 0 HA VAL A 118 -8.383 -3.370 -12.965 1.00 2.33 H new ATOM 0 HB VAL A 118 -9.774 -2.270 -11.195 1.00 22.23 H new ATOM 0 HG11 VAL A 118 -8.942 0.014 -11.576 1.00 21.44 H new ATOM 0 HG12 VAL A 118 -7.715 -1.212 -11.975 1.00 21.44 H new ATOM 0 HG13 VAL A 118 -8.612 -0.394 -13.276 1.00 21.44 H new ATOM 0 HG21 VAL A 118 -11.346 -0.491 -11.847 1.00 4.12 H new ATOM 0 HG22 VAL A 118 -11.115 -0.920 -13.559 1.00 4.12 H new ATOM 0 HG23 VAL A 118 -11.868 -2.084 -12.443 1.00 4.12 H new ATOM 1837 N HIS A 119 -10.847 -4.756 -14.050 1.00 73.11 N ATOM 1838 CA HIS A 119 -11.790 -5.867 -13.978 1.00 12.43 C ATOM 1839 C HIS A 119 -11.949 -6.534 -15.340 1.00 64.53 C ATOM 1840 O HIS A 119 -11.777 -5.897 -16.379 1.00 53.44 O ATOM 1841 CB HIS A 119 -13.149 -5.378 -13.475 1.00 41.33 C ATOM 1842 CG HIS A 119 -14.311 -6.053 -14.137 1.00 44.33 C ATOM 1843 ND1 HIS A 119 -15.310 -6.692 -13.434 1.00 51.24 N ATOM 1844 CD2 HIS A 119 -14.630 -6.184 -15.446 1.00 64.51 C ATOM 1845 CE1 HIS A 119 -16.193 -7.189 -14.282 1.00 43.03 C ATOM 1846 NE2 HIS A 119 -15.803 -6.895 -15.510 1.00 13.54 N ATOM 0 H HIS A 119 -10.593 -4.479 -14.998 1.00 73.11 H new ATOM 0 HA HIS A 119 -11.394 -6.602 -13.277 1.00 12.43 H new ATOM 0 HB2 HIS A 119 -13.209 -5.541 -12.399 1.00 41.33 H new ATOM 0 HB3 HIS A 119 -13.222 -4.303 -13.639 1.00 41.33 H new ATOM 0 HD1 HIS A 119 -15.360 -6.769 -12.418 1.00 51.24 H new ATOM 0 HD2 HIS A 119 -14.067 -5.801 -16.284 1.00 64.51 H new ATOM 0 HE1 HIS A 119 -17.082 -7.742 -14.017 1.00 43.03 H new ATOM 1854 N PHE A 120 -12.276 -7.822 -15.328 1.00 62.41 N ATOM 1855 CA PHE A 120 -12.456 -8.577 -16.563 1.00 25.32 C ATOM 1856 C PHE A 120 -13.887 -9.091 -16.682 1.00 72.44 C ATOM 1857 O PHE A 120 -14.451 -9.618 -15.723 1.00 54.30 O ATOM 1858 CB PHE A 120 -11.474 -9.750 -16.616 1.00 33.11 C ATOM 1859 CG PHE A 120 -10.952 -10.032 -17.995 1.00 65.34 C ATOM 1860 CD1 PHE A 120 -11.746 -10.671 -18.934 1.00 44.13 C ATOM 1861 CD2 PHE A 120 -9.666 -9.659 -18.353 1.00 53.44 C ATOM 1862 CE1 PHE A 120 -11.267 -10.932 -20.204 1.00 24.50 C ATOM 1863 CE2 PHE A 120 -9.182 -9.917 -19.622 1.00 21.11 C ATOM 1864 CZ PHE A 120 -9.984 -10.554 -20.549 1.00 3.03 C ATOM 0 H PHE A 120 -12.422 -8.365 -14.477 1.00 62.41 H new ATOM 0 HA PHE A 120 -12.258 -7.908 -17.401 1.00 25.32 H new ATOM 0 HB2 PHE A 120 -10.634 -9.540 -15.954 1.00 33.11 H new ATOM 0 HB3 PHE A 120 -11.967 -10.644 -16.233 1.00 33.11 H new ATOM 0 HD1 PHE A 120 -12.750 -10.968 -18.671 1.00 44.13 H new ATOM 0 HD2 PHE A 120 -9.035 -9.161 -17.632 1.00 53.44 H new ATOM 0 HE1 PHE A 120 -11.896 -11.431 -20.926 1.00 24.50 H new ATOM 0 HE2 PHE A 120 -8.178 -9.621 -19.888 1.00 21.11 H new ATOM 0 HZ PHE A 120 -9.609 -10.756 -21.541 1.00 3.03 H new ATOM 1874 N ASP A 121 -14.469 -8.934 -17.866 1.00 63.44 N ATOM 1875 CA ASP A 121 -15.834 -9.383 -18.113 1.00 53.31 C ATOM 1876 C ASP A 121 -15.843 -10.746 -18.799 1.00 13.54 C ATOM 1877 O ASP A 121 -16.130 -11.765 -18.172 1.00 15.34 O ATOM 1878 CB ASP A 121 -16.582 -8.361 -18.972 1.00 21.25 C ATOM 1879 CG ASP A 121 -17.803 -7.799 -18.270 1.00 44.53 C ATOM 1880 OD1 ASP A 121 -18.803 -8.534 -18.140 1.00 52.15 O ATOM 1881 OD2 ASP A 121 -17.758 -6.622 -17.852 1.00 65.41 O ATOM 0 H ASP A 121 -14.016 -8.499 -18.670 1.00 63.44 H new ATOM 0 HA ASP A 121 -16.339 -9.477 -17.151 1.00 53.31 H new ATOM 0 HB2 ASP A 121 -15.907 -7.545 -19.231 1.00 21.25 H new ATOM 0 HB3 ASP A 121 -16.888 -8.831 -19.907 1.00 21.25 H new ATOM 1886 N ALA A 122 -15.528 -10.755 -20.090 1.00 11.14 N ATOM 1887 CA ALA A 122 -15.499 -11.992 -20.860 1.00 30.01 C ATOM 1888 C ALA A 122 -14.917 -11.760 -22.250 1.00 2.30 C ATOM 1889 O ALA A 122 -15.009 -10.660 -22.796 1.00 70.42 O ATOM 1890 CB ALA A 122 -16.898 -12.582 -20.963 1.00 64.42 C ATOM 0 H ALA A 122 -15.289 -9.920 -20.624 1.00 11.14 H new ATOM 0 HA ALA A 122 -14.855 -12.700 -20.339 1.00 30.01 H new ATOM 0 HB1 ALA A 122 -16.862 -13.506 -21.541 1.00 64.42 H new ATOM 0 HB2 ALA A 122 -17.278 -12.794 -19.964 1.00 64.42 H new ATOM 0 HB3 ALA A 122 -17.558 -11.870 -21.459 1.00 64.42 H new ATOM 1896 N SER A 123 -14.317 -12.801 -22.817 1.00 24.42 N ATOM 1897 CA SER A 123 -13.715 -12.709 -24.142 1.00 31.10 C ATOM 1898 C SER A 123 -14.784 -12.768 -25.229 1.00 60.11 C ATOM 1899 O SER A 123 -15.845 -13.363 -25.041 1.00 60.51 O ATOM 1900 CB SER A 123 -12.702 -13.837 -24.345 1.00 71.52 C ATOM 1901 OG SER A 123 -11.703 -13.813 -23.340 1.00 50.15 O ATOM 0 H SER A 123 -14.235 -13.719 -22.379 1.00 24.42 H new ATOM 0 HA SER A 123 -13.200 -11.751 -24.214 1.00 31.10 H new ATOM 0 HB2 SER A 123 -13.216 -14.798 -24.329 1.00 71.52 H new ATOM 0 HB3 SER A 123 -12.237 -13.740 -25.326 1.00 71.52 H new ATOM 0 HG SER A 123 -10.824 -13.694 -23.756 1.00 50.15 H new ATOM 1907 N VAL A 124 -14.496 -12.145 -26.368 1.00 30.53 N ATOM 1908 CA VAL A 124 -15.431 -12.127 -27.486 1.00 62.05 C ATOM 1909 C VAL A 124 -15.067 -13.183 -28.524 1.00 44.23 C ATOM 1910 O VAL A 124 -14.077 -13.898 -28.374 1.00 60.45 O ATOM 1911 CB VAL A 124 -15.465 -10.745 -28.166 1.00 74.32 C ATOM 1912 CG1 VAL A 124 -16.813 -10.511 -28.832 1.00 62.21 C ATOM 1913 CG2 VAL A 124 -15.162 -9.648 -27.157 1.00 53.12 C ATOM 0 H VAL A 124 -13.623 -11.647 -26.540 1.00 30.53 H new ATOM 0 HA VAL A 124 -16.417 -12.348 -27.078 1.00 62.05 H new ATOM 0 HB VAL A 124 -14.696 -10.720 -28.938 1.00 74.32 H new ATOM 0 HG11 VAL A 124 -16.819 -9.530 -29.307 1.00 62.21 H new ATOM 0 HG12 VAL A 124 -16.985 -11.280 -29.585 1.00 62.21 H new ATOM 0 HG13 VAL A 124 -17.602 -10.555 -28.081 1.00 62.21 H new ATOM 0 HG21 VAL A 124 -15.190 -8.678 -27.654 1.00 53.12 H new ATOM 0 HG22 VAL A 124 -15.907 -9.670 -26.361 1.00 53.12 H new ATOM 0 HG23 VAL A 124 -14.172 -9.809 -26.731 1.00 53.12 H new ATOM 1923 N GLU A 125 -15.874 -13.273 -29.577 1.00 24.21 N ATOM 1924 CA GLU A 125 -15.636 -14.242 -30.640 1.00 24.40 C ATOM 1925 C GLU A 125 -15.226 -13.543 -31.933 1.00 14.52 C ATOM 1926 O GLU A 125 -14.393 -14.046 -32.687 1.00 12.33 O ATOM 1927 CB GLU A 125 -16.888 -15.088 -30.879 1.00 53.14 C ATOM 1928 CG GLU A 125 -16.594 -16.462 -31.458 1.00 1.30 C ATOM 1929 CD GLU A 125 -17.783 -17.399 -31.370 1.00 50.45 C ATOM 1930 OE1 GLU A 125 -18.640 -17.189 -30.487 1.00 74.13 O ATOM 1931 OE2 GLU A 125 -17.856 -18.342 -32.186 1.00 43.42 O ATOM 0 H GLU A 125 -16.697 -12.687 -29.716 1.00 24.21 H new ATOM 0 HA GLU A 125 -14.821 -14.894 -30.326 1.00 24.40 H new ATOM 0 HB2 GLU A 125 -17.421 -15.207 -29.936 1.00 53.14 H new ATOM 0 HB3 GLU A 125 -17.554 -14.553 -31.556 1.00 53.14 H new ATOM 0 HG2 GLU A 125 -16.296 -16.356 -32.501 1.00 1.30 H new ATOM 0 HG3 GLU A 125 -15.749 -16.902 -30.928 1.00 1.30 H new