USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 857 hydrogens (66 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 102 THR OG1 : rot -113:sc= 0.597 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.121 K(o=0.72,f=-1) USER MOD Set 2.1: A 89 ASN :FLIP amide:sc= -1.48 X(o=-1.8!,f=-1.8) USER MOD Set 2.2: A 105 ASN :FLIP amide:sc= -0.296 F(o=-6!,f=-1.8) USER MOD Set 3.1: A 94 THR OG1 : rot 170:sc= 0 USER MOD Set 3.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 73 THR OG1 : rot -74:sc= 2.02 USER MOD Set 4.2: A 75 THR OG1 : rot -61:sc= 0.773 USER MOD Set 5.1: A 19 MET CE :methyl -146:sc= -5.49! (180deg=-6.12!) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -130:sc= -0.127 (180deg=-0.265) USER MOD Set 6.1: A 8 GLN :FLIP amide:sc= -3.93 F(o=-9.7!,f=-4.4) USER MOD Set 6.2: A 10 GLN : amide:sc= -0.473 X(o=-4.4,f=-4.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.335 (180deg=-0.354) USER MOD Single : A 2 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.55) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -3.03! (180deg=-4.17!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.219 USER MOD Single : A 12 GLN :FLIP amide:sc= -5.16! C(o=-7.5!,f=-5.2!) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.217 F(o=-1.4!,f=-0.22) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.6) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0735) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -38:sc= 1.03 USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.202 (180deg=-0.772) USER MOD Single : A 60 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.4) USER MOD Single : A 61 ASN : amide:sc= -1.69 X(o=-1.7,f=-2) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -154:sc= 0.63 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= -0.0668 (180deg=-0.575) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0446 (180deg=-0.282) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 170:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -0.0213 (180deg=-0.234) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 78:sc= 0.107 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -55:sc= -0.359 USER MOD Single : A 125 LYS NZ :NH3+ 162:sc= -0.138 (180deg=-0.616) USER MOD Single : A 128 OLA O2 : rot 160:sc= 0 USER MOD Single : A 129 OLA O2 : rot 110:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.257 10.871 1.078 1.00 4.30 N ATOM 2 CA MET A 1 16.708 11.534 -0.173 1.00 3.84 C ATOM 3 C MET A 1 16.082 10.873 -1.397 1.00 2.89 C ATOM 4 O MET A 1 15.846 11.526 -2.415 1.00 2.87 O ATOM 5 CB MET A 1 18.233 11.479 -0.278 1.00 4.46 C ATOM 6 CG MET A 1 18.784 10.066 -0.376 1.00 5.10 C ATOM 7 SD MET A 1 20.584 10.025 -0.470 1.00 6.04 S ATOM 8 CE MET A 1 20.869 8.272 -0.699 1.00 6.91 C ATOM 0 H1 MET A 1 16.669 11.360 1.898 1.00 4.30 H new ATOM 0 H2 MET A 1 15.219 10.911 1.137 1.00 4.30 H new ATOM 0 H3 MET A 1 16.566 9.878 1.075 1.00 4.30 H new ATOM 0 HA MET A 1 16.386 12.575 -0.140 1.00 3.84 H new ATOM 0 HB2 MET A 1 18.549 12.045 -1.154 1.00 4.46 H new ATOM 0 HB3 MET A 1 18.667 11.970 0.593 1.00 4.46 H new ATOM 0 HG2 MET A 1 18.457 9.492 0.491 1.00 5.10 H new ATOM 0 HG3 MET A 1 18.367 9.578 -1.257 1.00 5.10 H new ATOM 0 HE1 MET A 1 21.940 8.084 -0.775 1.00 6.91 H new ATOM 0 HE2 MET A 1 20.464 7.723 0.151 1.00 6.91 H new ATOM 0 HE3 MET A 1 20.377 7.940 -1.613 1.00 6.91 H new ATOM 20 N ASN A 2 15.818 9.574 -1.291 1.00 2.46 N ATOM 21 CA ASN A 2 15.220 8.823 -2.389 1.00 1.86 C ATOM 22 C ASN A 2 13.728 8.614 -2.158 1.00 1.11 C ATOM 23 O ASN A 2 13.309 8.190 -1.080 1.00 1.62 O ATOM 24 CB ASN A 2 15.919 7.470 -2.548 1.00 2.52 C ATOM 25 CG ASN A 2 15.898 6.655 -1.270 1.00 2.76 C ATOM 26 OD1 ASN A 2 14.976 5.876 -1.031 1.00 3.46 O ATOM 27 ND2 ASN A 2 16.918 6.831 -0.439 1.00 2.73 N ATOM 0 H ASN A 2 16.009 9.020 -0.456 1.00 2.46 H new ATOM 0 HA ASN A 2 15.348 9.401 -3.304 1.00 1.86 H new ATOM 0 HB2 ASN A 2 15.434 6.905 -3.344 1.00 2.52 H new ATOM 0 HB3 ASN A 2 16.952 7.632 -2.856 1.00 2.52 H new ATOM 0 HD21 ASN A 2 16.958 6.310 0.437 1.00 2.73 H new ATOM 0 HD22 ASN A 2 17.662 7.487 -0.676 1.00 2.73 H new ATOM 32 N PHE A 3 12.926 8.916 -3.176 1.00 0.84 N ATOM 33 CA PHE A 3 11.479 8.763 -3.084 1.00 1.21 C ATOM 34 C PHE A 3 10.902 8.215 -4.385 1.00 1.09 C ATOM 35 O PHE A 3 9.970 7.412 -4.373 1.00 1.86 O ATOM 36 CB PHE A 3 10.823 10.105 -2.752 1.00 2.02 C ATOM 37 CG PHE A 3 11.225 10.661 -1.416 1.00 2.36 C ATOM 38 CD1 PHE A 3 10.625 10.205 -0.254 1.00 2.57 C ATOM 39 CD2 PHE A 3 12.204 11.638 -1.324 1.00 2.79 C ATOM 40 CE1 PHE A 3 10.994 10.714 0.977 1.00 3.08 C ATOM 41 CE2 PHE A 3 12.577 12.150 -0.096 1.00 3.29 C ATOM 42 CZ PHE A 3 11.970 11.687 1.057 1.00 3.40 C ATOM 0 H PHE A 3 13.256 9.268 -4.075 1.00 0.84 H new ATOM 0 HA PHE A 3 11.267 8.052 -2.285 1.00 1.21 H new ATOM 0 HB2 PHE A 3 11.080 10.826 -3.528 1.00 2.02 H new ATOM 0 HB3 PHE A 3 9.740 9.985 -2.774 1.00 2.02 H new ATOM 0 HD1 PHE A 3 9.861 9.444 -0.310 1.00 2.57 H new ATOM 0 HD2 PHE A 3 12.680 12.003 -2.222 1.00 2.79 H new ATOM 0 HE1 PHE A 3 10.519 10.351 1.876 1.00 3.08 H new ATOM 0 HE2 PHE A 3 13.341 12.911 -0.037 1.00 3.29 H new ATOM 0 HZ PHE A 3 12.259 12.086 2.018 1.00 3.40 H new ATOM 52 N SER A 4 11.466 8.656 -5.506 1.00 0.64 N ATOM 53 CA SER A 4 11.006 8.212 -6.816 1.00 0.56 C ATOM 54 C SER A 4 11.617 6.866 -7.183 1.00 0.52 C ATOM 55 O SER A 4 12.801 6.623 -6.942 1.00 0.75 O ATOM 56 CB SER A 4 11.357 9.252 -7.881 1.00 0.69 C ATOM 57 OG SER A 4 12.759 9.450 -7.957 1.00 1.53 O ATOM 0 H SER A 4 12.241 9.319 -5.533 1.00 0.64 H new ATOM 0 HA SER A 4 9.923 8.097 -6.772 1.00 0.56 H new ATOM 0 HB2 SER A 4 10.979 8.927 -8.850 1.00 0.69 H new ATOM 0 HB3 SER A 4 10.865 10.196 -7.648 1.00 0.69 H new ATOM 0 HG SER A 4 12.958 10.118 -8.646 1.00 1.53 H new ATOM 63 N GLY A 5 10.803 5.994 -7.769 1.00 0.43 N ATOM 64 CA GLY A 5 11.279 4.680 -8.163 1.00 0.45 C ATOM 65 C GLY A 5 10.145 3.705 -8.400 1.00 0.40 C ATOM 66 O GLY A 5 9.047 3.879 -7.871 1.00 0.54 O ATOM 0 H GLY A 5 9.821 6.174 -7.978 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.874 4.769 -9.072 1.00 0.45 H new ATOM 0 HA3 GLY A 5 11.937 4.287 -7.388 1.00 0.45 H new ATOM 70 N LYS A 6 10.409 2.674 -9.197 1.00 0.36 N ATOM 71 CA LYS A 6 9.397 1.669 -9.504 1.00 0.35 C ATOM 72 C LYS A 6 9.680 0.372 -8.754 1.00 0.30 C ATOM 73 O LYS A 6 10.795 -0.148 -8.789 1.00 0.36 O ATOM 74 CB LYS A 6 9.347 1.410 -11.011 1.00 0.47 C ATOM 75 CG LYS A 6 8.091 0.683 -11.462 1.00 1.02 C ATOM 76 CD LYS A 6 8.030 0.542 -12.978 1.00 1.43 C ATOM 77 CE LYS A 6 8.971 -0.539 -13.487 1.00 1.75 C ATOM 78 NZ LYS A 6 10.401 -0.127 -13.409 1.00 2.38 N ATOM 0 H LYS A 6 11.313 2.513 -9.641 1.00 0.36 H new ATOM 0 HA LYS A 6 8.428 2.048 -9.180 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.414 2.362 -11.537 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.219 0.824 -11.300 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.059 -0.306 -11.004 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.212 1.225 -11.112 1.00 1.02 H new ATOM 0 HD2 LYS A 6 7.009 0.306 -13.280 1.00 1.43 H new ATOM 0 HD3 LYS A 6 8.287 1.494 -13.442 1.00 1.43 H new ATOM 0 HE2 LYS A 6 8.825 -1.448 -12.904 1.00 1.75 H new ATOM 0 HE3 LYS A 6 8.720 -0.779 -14.520 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 10.957 -0.668 -14.102 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 10.482 0.889 -13.618 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 10.764 -0.313 -12.453 1.00 2.38 H new ATOM 92 N TYR A 7 8.659 -0.144 -8.076 1.00 0.30 N ATOM 93 CA TYR A 7 8.787 -1.373 -7.310 1.00 0.29 C ATOM 94 C TYR A 7 7.586 -2.284 -7.558 1.00 0.30 C ATOM 95 O TYR A 7 6.440 -1.873 -7.377 1.00 0.42 O ATOM 96 CB TYR A 7 8.894 -1.060 -5.814 1.00 0.34 C ATOM 97 CG TYR A 7 9.771 0.134 -5.501 1.00 0.49 C ATOM 98 CD1 TYR A 7 11.133 -0.019 -5.271 1.00 0.70 C ATOM 99 CD2 TYR A 7 9.231 1.411 -5.433 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.931 1.072 -4.983 1.00 0.89 C ATOM 101 CE2 TYR A 7 10.024 2.506 -5.146 1.00 0.93 C ATOM 102 CZ TYR A 7 11.371 2.331 -4.921 1.00 0.91 C ATOM 103 OH TYR A 7 12.163 3.419 -4.633 1.00 1.13 O ATOM 0 H TYR A 7 7.730 0.275 -8.044 1.00 0.30 H new ATOM 0 HA TYR A 7 9.694 -1.884 -7.634 1.00 0.29 H new ATOM 0 HB2 TYR A 7 7.895 -0.879 -5.418 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.289 -1.934 -5.297 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.574 -1.004 -5.318 1.00 0.70 H new ATOM 0 HD2 TYR A 7 8.174 1.551 -5.607 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.988 0.939 -4.807 1.00 0.89 H new ATOM 0 HE2 TYR A 7 9.589 3.494 -5.098 1.00 0.93 H new ATOM 0 HH TYR A 7 11.614 4.231 -4.629 1.00 1.13 H new ATOM 113 N GLN A 8 7.851 -3.517 -7.969 1.00 0.31 N ATOM 114 CA GLN A 8 6.791 -4.479 -8.234 1.00 0.35 C ATOM 115 C GLN A 8 6.673 -5.466 -7.067 1.00 0.35 C ATOM 116 O GLN A 8 7.669 -5.885 -6.488 1.00 0.38 O ATOM 117 CB GLN A 8 7.044 -5.218 -9.559 1.00 0.44 C ATOM 118 CG GLN A 8 8.066 -6.329 -9.458 1.00 0.41 C ATOM 119 CD GLN A 8 9.459 -5.787 -9.255 1.00 0.92 C ATOM 120 OE1 GLN A 8 9.788 -5.511 -8.009 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 10.221 -5.611 -10.204 1.00 1.23 N flip ATOM 0 H GLN A 8 8.793 -3.875 -8.126 1.00 0.31 H new ATOM 0 HA GLN A 8 5.847 -3.943 -8.329 1.00 0.35 H new ATOM 0 HB2 GLN A 8 6.103 -5.636 -9.916 1.00 0.44 H new ATOM 0 HB3 GLN A 8 7.377 -4.498 -10.307 1.00 0.44 H new ATOM 0 HG2 GLN A 8 7.807 -6.988 -8.629 1.00 0.41 H new ATOM 0 HG3 GLN A 8 8.039 -6.933 -10.365 1.00 0.41 H new ATOM 0 HE21 GLN A 8 9.918 -5.841 -11.151 1.00 1.23 H new ATOM 0 HE22 GLN A 8 11.156 -5.235 -10.045 1.00 1.23 H new ATOM 128 N VAL A 9 5.450 -5.818 -6.713 1.00 0.40 N ATOM 129 CA VAL A 9 5.215 -6.739 -5.609 1.00 0.45 C ATOM 130 C VAL A 9 5.700 -8.139 -5.970 1.00 0.52 C ATOM 131 O VAL A 9 5.590 -8.565 -7.120 1.00 0.67 O ATOM 132 CB VAL A 9 3.727 -6.799 -5.237 1.00 0.56 C ATOM 133 CG1 VAL A 9 3.491 -7.766 -4.087 1.00 1.18 C ATOM 134 CG2 VAL A 9 3.207 -5.411 -4.895 1.00 1.24 C ATOM 0 H VAL A 9 4.603 -5.482 -7.172 1.00 0.40 H new ATOM 0 HA VAL A 9 5.774 -6.368 -4.750 1.00 0.45 H new ATOM 0 HB VAL A 9 3.174 -7.168 -6.101 1.00 0.56 H new ATOM 0 HG11 VAL A 9 2.429 -7.789 -3.843 1.00 1.18 H new ATOM 0 HG12 VAL A 9 3.819 -8.764 -4.378 1.00 1.18 H new ATOM 0 HG13 VAL A 9 4.056 -7.438 -3.214 1.00 1.18 H new ATOM 0 HG21 VAL A 9 2.151 -5.472 -4.634 1.00 1.24 H new ATOM 0 HG22 VAL A 9 3.767 -5.011 -4.050 1.00 1.24 H new ATOM 0 HG23 VAL A 9 3.330 -4.754 -5.756 1.00 1.24 H new ATOM 138 N GLN A 10 6.240 -8.850 -4.985 1.00 0.50 N ATOM 139 CA GLN A 10 6.759 -10.194 -5.212 1.00 0.61 C ATOM 140 C GLN A 10 5.977 -11.246 -4.429 1.00 0.72 C ATOM 141 O GLN A 10 5.472 -12.209 -5.006 1.00 1.01 O ATOM 142 CB GLN A 10 8.236 -10.257 -4.827 1.00 0.71 C ATOM 143 CG GLN A 10 9.126 -9.376 -5.687 1.00 0.90 C ATOM 144 CD GLN A 10 9.164 -9.824 -7.135 1.00 1.52 C ATOM 145 OE1 GLN A 10 8.997 -11.005 -7.436 1.00 2.20 O ATOM 146 NE2 GLN A 10 9.387 -8.880 -8.042 1.00 2.11 N ATOM 0 H GLN A 10 6.329 -8.519 -4.024 1.00 0.50 H new ATOM 0 HA GLN A 10 6.645 -10.415 -6.273 1.00 0.61 H new ATOM 0 HB2 GLN A 10 8.344 -9.960 -3.784 1.00 0.71 H new ATOM 0 HB3 GLN A 10 8.579 -11.289 -4.902 1.00 0.71 H new ATOM 0 HG2 GLN A 10 8.769 -8.347 -5.638 1.00 0.90 H new ATOM 0 HG3 GLN A 10 10.138 -9.382 -5.282 1.00 0.90 H new ATOM 0 HE21 GLN A 10 9.520 -7.912 -7.749 1.00 2.11 H new ATOM 0 HE22 GLN A 10 9.425 -9.123 -9.032 1.00 2.11 H new ATOM 153 N SER A 11 5.881 -11.062 -3.115 1.00 0.56 N ATOM 154 CA SER A 11 5.172 -12.016 -2.265 1.00 0.70 C ATOM 155 C SER A 11 4.534 -11.330 -1.061 1.00 0.54 C ATOM 156 O SER A 11 4.807 -10.164 -0.774 1.00 0.54 O ATOM 157 CB SER A 11 6.130 -13.109 -1.796 1.00 0.97 C ATOM 158 OG SER A 11 5.462 -14.064 -0.988 1.00 1.72 O ATOM 0 H SER A 11 6.282 -10.267 -2.618 1.00 0.56 H new ATOM 0 HA SER A 11 4.373 -12.461 -2.857 1.00 0.70 H new ATOM 0 HB2 SER A 11 6.571 -13.605 -2.660 1.00 0.97 H new ATOM 0 HB3 SER A 11 6.949 -12.661 -1.233 1.00 0.97 H new ATOM 0 HG SER A 11 6.098 -14.753 -0.703 1.00 1.72 H new ATOM 164 N GLN A 12 3.677 -12.071 -0.362 1.00 0.56 N ATOM 165 CA GLN A 12 2.987 -11.556 0.816 1.00 0.50 C ATOM 166 C GLN A 12 2.885 -12.633 1.898 1.00 0.46 C ATOM 167 O GLN A 12 2.592 -13.792 1.607 1.00 0.59 O ATOM 168 CB GLN A 12 1.587 -11.067 0.430 1.00 0.70 C ATOM 169 CG GLN A 12 0.693 -10.754 1.621 1.00 0.85 C ATOM 170 CD GLN A 12 1.226 -9.620 2.473 1.00 0.99 C ATOM 171 OE1 GLN A 12 0.977 -9.694 3.775 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 1.851 -8.688 1.967 1.00 0.82 N flip ATOM 0 H GLN A 12 3.443 -13.036 -0.594 1.00 0.56 H new ATOM 0 HA GLN A 12 3.562 -10.720 1.215 1.00 0.50 H new ATOM 0 HB2 GLN A 12 1.682 -10.172 -0.185 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.104 -11.827 -0.185 1.00 0.70 H new ATOM 0 HG2 GLN A 12 -0.304 -10.496 1.263 1.00 0.85 H new ATOM 0 HG3 GLN A 12 0.590 -11.647 2.237 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.019 -8.673 0.961 1.00 0.82 H new ATOM 0 HE22 GLN A 12 2.201 -7.931 2.554 1.00 0.82 H new ATOM 179 N GLU A 13 3.130 -12.242 3.147 1.00 0.47 N ATOM 180 CA GLU A 13 3.061 -13.173 4.271 1.00 0.52 C ATOM 181 C GLU A 13 1.779 -12.963 5.072 1.00 0.45 C ATOM 182 O GLU A 13 1.353 -11.829 5.285 1.00 0.47 O ATOM 183 CB GLU A 13 4.278 -13.000 5.185 1.00 0.71 C ATOM 184 CG GLU A 13 4.398 -11.606 5.780 1.00 1.16 C ATOM 185 CD GLU A 13 5.584 -11.473 6.715 1.00 1.72 C ATOM 186 OE1 GLU A 13 6.714 -11.291 6.216 1.00 2.39 O ATOM 187 OE2 GLU A 13 5.382 -11.551 7.945 1.00 2.07 O ATOM 0 H GLU A 13 3.378 -11.287 3.406 1.00 0.47 H new ATOM 0 HA GLU A 13 3.059 -14.186 3.869 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.221 -13.728 5.994 1.00 0.71 H new ATOM 0 HB3 GLU A 13 5.182 -13.224 4.619 1.00 0.71 H new ATOM 0 HG2 GLU A 13 4.491 -10.878 4.974 1.00 1.16 H new ATOM 0 HG3 GLU A 13 3.483 -11.366 6.322 1.00 1.16 H new ATOM 194 N ASN A 14 1.172 -14.060 5.520 1.00 0.47 N ATOM 195 CA ASN A 14 -0.066 -13.988 6.290 1.00 0.52 C ATOM 196 C ASN A 14 -1.139 -13.236 5.513 1.00 0.56 C ATOM 197 O ASN A 14 -1.390 -12.057 5.766 1.00 0.92 O ATOM 198 CB ASN A 14 0.177 -13.298 7.636 1.00 0.62 C ATOM 199 CG ASN A 14 0.566 -14.274 8.729 1.00 1.26 C ATOM 200 OD1 ASN A 14 -0.058 -15.445 8.727 1.00 1.88 O flip ATOM 201 ND2 ASN A 14 1.411 -13.974 9.574 1.00 1.78 N flip ATOM 0 H ASN A 14 1.517 -15.007 5.363 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.410 -15.006 6.471 1.00 0.52 H new ATOM 0 HB2 ASN A 14 0.965 -12.553 7.522 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -0.725 -12.764 7.935 1.00 0.62 H new ATOM 0 HD21 ASN A 14 1.867 -13.062 9.538 1.00 1.78 H new ATOM 0 HD22 ASN A 14 1.655 -14.638 10.309 1.00 1.78 H new ATOM 206 N PHE A 15 -1.762 -13.919 4.560 1.00 0.52 N ATOM 207 CA PHE A 15 -2.798 -13.315 3.746 1.00 0.59 C ATOM 208 C PHE A 15 -4.168 -13.894 4.093 1.00 0.59 C ATOM 209 O PHE A 15 -5.163 -13.173 4.134 1.00 0.66 O ATOM 210 CB PHE A 15 -2.480 -13.547 2.269 1.00 0.73 C ATOM 211 CG PHE A 15 -2.783 -12.373 1.368 1.00 1.40 C ATOM 212 CD1 PHE A 15 -3.695 -11.409 1.764 1.00 2.40 C ATOM 213 CD2 PHE A 15 -2.166 -12.235 0.132 1.00 1.85 C ATOM 214 CE1 PHE A 15 -3.986 -10.330 0.951 1.00 3.26 C ATOM 215 CE2 PHE A 15 -2.455 -11.157 -0.686 1.00 2.66 C ATOM 216 CZ PHE A 15 -3.313 -10.218 -0.309 1.00 3.24 C ATOM 0 H PHE A 15 -1.564 -14.894 4.335 1.00 0.52 H new ATOM 0 HA PHE A 15 -2.827 -12.244 3.947 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -1.424 -13.798 2.174 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.046 -14.411 1.921 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.186 -11.502 2.722 1.00 2.40 H new ATOM 0 HD2 PHE A 15 -1.453 -12.977 -0.195 1.00 1.85 H new ATOM 0 HE1 PHE A 15 -4.706 -9.586 1.259 1.00 3.26 H new ATOM 0 HE2 PHE A 15 -1.973 -11.079 -1.649 1.00 2.66 H new ATOM 0 HZ PHE A 15 -3.504 -9.371 -0.951 1.00 3.24 H new ATOM 226 N GLU A 16 -4.205 -15.203 4.346 1.00 0.65 N ATOM 227 CA GLU A 16 -5.449 -15.894 4.693 1.00 0.72 C ATOM 228 C GLU A 16 -6.192 -15.190 5.834 1.00 0.62 C ATOM 229 O GLU A 16 -7.403 -14.998 5.753 1.00 0.68 O ATOM 230 CB GLU A 16 -5.163 -17.349 5.074 1.00 0.86 C ATOM 231 CG GLU A 16 -4.529 -18.157 3.956 1.00 1.03 C ATOM 232 CD GLU A 16 -4.228 -19.586 4.366 1.00 1.53 C ATOM 233 OE1 GLU A 16 -5.138 -20.437 4.268 1.00 1.92 O ATOM 234 OE2 GLU A 16 -3.084 -19.856 4.788 1.00 1.96 O ATOM 0 H GLU A 16 -3.385 -15.809 4.317 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.091 -15.872 3.812 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.504 -17.366 5.942 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -6.096 -17.828 5.373 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -5.196 -18.163 3.094 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -3.606 -17.671 3.641 1.00 1.03 H new ATOM 241 N PRO A 17 -5.498 -14.811 6.930 1.00 0.54 N ATOM 242 CA PRO A 17 -6.146 -14.117 8.047 1.00 0.52 C ATOM 243 C PRO A 17 -6.511 -12.683 7.678 1.00 0.45 C ATOM 244 O PRO A 17 -7.527 -12.151 8.126 1.00 0.50 O ATOM 245 CB PRO A 17 -5.082 -14.136 9.145 1.00 0.59 C ATOM 246 CG PRO A 17 -3.788 -14.215 8.413 1.00 0.72 C ATOM 247 CD PRO A 17 -4.059 -15.035 7.181 1.00 0.59 C ATOM 0 HA PRO A 17 -7.082 -14.590 8.345 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -5.134 -13.239 9.763 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.214 -14.989 9.810 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.428 -13.221 8.149 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -3.018 -14.679 9.030 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.449 -14.709 6.339 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -3.839 -16.090 7.344 1.00 0.59 H new ATOM 255 N PHE A 18 -5.670 -12.070 6.849 1.00 0.44 N ATOM 256 CA PHE A 18 -5.882 -10.699 6.399 1.00 0.54 C ATOM 257 C PHE A 18 -7.202 -10.572 5.635 1.00 0.62 C ATOM 258 O PHE A 18 -8.024 -9.709 5.941 1.00 0.68 O ATOM 259 CB PHE A 18 -4.710 -10.259 5.518 1.00 0.65 C ATOM 260 CG PHE A 18 -4.830 -8.853 4.999 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.462 -7.775 5.788 1.00 1.08 C ATOM 262 CD2 PHE A 18 -5.309 -8.610 3.722 1.00 1.08 C ATOM 263 CE1 PHE A 18 -4.567 -6.482 5.311 1.00 1.36 C ATOM 264 CE2 PHE A 18 -5.418 -7.321 3.241 1.00 1.35 C ATOM 265 CZ PHE A 18 -5.047 -6.253 4.036 1.00 1.46 C ATOM 0 H PHE A 18 -4.828 -12.507 6.473 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.937 -10.050 7.273 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.786 -10.347 6.090 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -4.628 -10.942 4.672 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -4.089 -7.947 6.787 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -5.601 -9.440 3.095 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -4.274 -5.651 5.935 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -5.793 -7.147 2.243 1.00 1.35 H new ATOM 0 HZ PHE A 18 -5.132 -5.243 3.662 1.00 1.46 H new ATOM 275 N MET A 19 -7.392 -11.434 4.638 1.00 0.68 N ATOM 276 CA MET A 19 -8.610 -11.426 3.830 1.00 0.83 C ATOM 277 C MET A 19 -9.845 -11.643 4.699 1.00 0.81 C ATOM 278 O MET A 19 -10.895 -11.049 4.460 1.00 0.90 O ATOM 279 CB MET A 19 -8.521 -12.480 2.723 1.00 0.96 C ATOM 280 CG MET A 19 -8.572 -13.919 3.205 1.00 1.91 C ATOM 281 SD MET A 19 -10.251 -14.517 3.482 1.00 3.37 S ATOM 282 CE MET A 19 -9.941 -16.245 3.842 1.00 4.48 C ATOM 0 H MET A 19 -6.716 -12.149 4.370 1.00 0.68 H new ATOM 0 HA MET A 19 -8.706 -10.446 3.362 1.00 0.83 H new ATOM 0 HB2 MET A 19 -9.339 -12.318 2.021 1.00 0.96 H new ATOM 0 HB3 MET A 19 -7.593 -12.329 2.172 1.00 0.96 H new ATOM 0 HG2 MET A 19 -8.082 -14.559 2.471 1.00 1.91 H new ATOM 0 HG3 MET A 19 -8.005 -14.005 4.132 1.00 1.91 H new ATOM 0 HE1 MET A 19 -10.762 -16.850 3.456 1.00 4.48 H new ATOM 0 HE2 MET A 19 -9.009 -16.554 3.369 1.00 4.48 H new ATOM 0 HE3 MET A 19 -9.863 -16.384 4.920 1.00 4.48 H new ATOM 292 N LYS A 20 -9.716 -12.494 5.712 1.00 0.73 N ATOM 293 CA LYS A 20 -10.829 -12.781 6.611 1.00 0.79 C ATOM 294 C LYS A 20 -11.242 -11.539 7.397 1.00 0.72 C ATOM 295 O LYS A 20 -12.431 -11.252 7.542 1.00 0.79 O ATOM 296 CB LYS A 20 -10.446 -13.898 7.583 1.00 0.85 C ATOM 297 CG LYS A 20 -10.395 -15.273 6.944 1.00 1.02 C ATOM 298 CD LYS A 20 -10.260 -16.369 7.990 1.00 1.37 C ATOM 299 CE LYS A 20 -10.157 -17.742 7.345 1.00 1.63 C ATOM 300 NZ LYS A 20 -11.341 -18.047 6.496 1.00 2.27 N ATOM 0 H LYS A 20 -8.855 -12.995 5.931 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.675 -13.100 6.002 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.472 -13.672 8.016 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.163 -13.915 8.404 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -11.300 -15.437 6.358 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -9.554 -15.323 6.252 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.376 -16.185 8.600 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.120 -16.343 8.659 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -9.253 -17.791 6.738 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -10.062 -18.501 8.121 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -11.716 -18.984 6.747 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -12.075 -17.327 6.652 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -11.060 -18.044 5.495 1.00 2.27 H new ATOM 314 N ALA A 21 -10.254 -10.808 7.905 1.00 0.64 N ATOM 315 CA ALA A 21 -10.510 -9.598 8.679 1.00 0.64 C ATOM 316 C ALA A 21 -11.014 -8.461 7.794 1.00 0.65 C ATOM 317 O ALA A 21 -12.178 -8.066 7.872 1.00 0.85 O ATOM 318 CB ALA A 21 -9.254 -9.173 9.424 1.00 0.67 C ATOM 0 H ALA A 21 -9.266 -11.034 7.794 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.293 -9.825 9.403 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.459 -8.269 9.997 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.945 -9.970 10.101 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.456 -8.975 8.708 1.00 0.67 H new ATOM 324 N MET A 22 -10.121 -7.942 6.956 1.00 0.66 N ATOM 325 CA MET A 22 -10.445 -6.844 6.049 1.00 0.72 C ATOM 326 C MET A 22 -11.717 -7.126 5.252 1.00 0.74 C ATOM 327 O MET A 22 -12.408 -6.202 4.821 1.00 0.90 O ATOM 328 CB MET A 22 -9.272 -6.596 5.096 1.00 0.75 C ATOM 329 CG MET A 22 -9.578 -5.611 3.980 1.00 0.88 C ATOM 330 SD MET A 22 -10.144 -4.015 4.600 1.00 1.45 S ATOM 331 CE MET A 22 -10.498 -3.162 3.067 1.00 2.05 C ATOM 0 H MET A 22 -9.157 -8.268 6.886 1.00 0.66 H new ATOM 0 HA MET A 22 -10.623 -5.953 6.651 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.423 -6.226 5.670 1.00 0.75 H new ATOM 0 HB3 MET A 22 -8.969 -7.546 4.655 1.00 0.75 H new ATOM 0 HG2 MET A 22 -8.684 -5.465 3.374 1.00 0.88 H new ATOM 0 HG3 MET A 22 -10.341 -6.034 3.326 1.00 0.88 H new ATOM 0 HE1 MET A 22 -10.859 -2.157 3.285 1.00 2.05 H new ATOM 0 HE2 MET A 22 -9.590 -3.099 2.467 1.00 2.05 H new ATOM 0 HE3 MET A 22 -11.261 -3.710 2.514 1.00 2.05 H new ATOM 341 N GLY A 23 -12.025 -8.404 5.063 1.00 0.79 N ATOM 342 CA GLY A 23 -13.208 -8.776 4.309 1.00 0.85 C ATOM 343 C GLY A 23 -12.867 -9.196 2.894 1.00 0.84 C ATOM 344 O GLY A 23 -13.755 -9.401 2.064 1.00 0.97 O ATOM 0 H GLY A 23 -11.478 -9.188 5.418 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.720 -9.593 4.817 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -13.900 -7.935 4.281 1.00 0.85 H new ATOM 348 N LEU A 24 -11.572 -9.319 2.624 1.00 0.77 N ATOM 349 CA LEU A 24 -11.092 -9.719 1.307 1.00 0.78 C ATOM 350 C LEU A 24 -11.305 -11.217 1.096 1.00 0.71 C ATOM 351 O LEU A 24 -11.223 -12.003 2.035 1.00 0.68 O ATOM 352 CB LEU A 24 -9.605 -9.337 1.167 1.00 0.78 C ATOM 353 CG LEU A 24 -8.794 -10.056 0.076 1.00 0.89 C ATOM 354 CD1 LEU A 24 -8.894 -9.310 -1.246 1.00 1.45 C ATOM 355 CD2 LEU A 24 -7.338 -10.171 0.498 1.00 1.26 C ATOM 0 H LEU A 24 -10.832 -9.146 3.305 1.00 0.77 H new ATOM 0 HA LEU A 24 -11.658 -9.196 0.537 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.548 -8.265 0.979 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.118 -9.519 2.125 1.00 0.78 H new ATOM 0 HG LEU A 24 -9.207 -11.056 -0.058 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -8.313 -9.835 -2.005 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -9.937 -9.260 -1.558 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -8.503 -8.300 -1.124 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -6.773 -10.682 -0.281 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -6.924 -9.175 0.653 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -7.272 -10.739 1.426 1.00 1.26 H new ATOM 361 N PRO A 25 -11.664 -11.615 -0.131 1.00 0.76 N ATOM 362 CA PRO A 25 -11.877 -13.028 -0.492 1.00 0.74 C ATOM 363 C PRO A 25 -10.575 -13.789 -0.728 1.00 0.67 C ATOM 364 O PRO A 25 -9.688 -13.312 -1.438 1.00 0.67 O ATOM 365 CB PRO A 25 -12.617 -12.909 -1.817 1.00 0.85 C ATOM 366 CG PRO A 25 -12.015 -11.689 -2.404 1.00 0.94 C ATOM 367 CD PRO A 25 -11.962 -10.725 -1.269 1.00 0.89 C ATOM 0 HA PRO A 25 -12.395 -13.573 0.298 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -12.463 -13.783 -2.449 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -13.693 -12.804 -1.675 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -11.021 -11.888 -2.804 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -12.618 -11.303 -3.226 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -11.189 -9.969 -1.410 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -12.906 -10.196 -1.138 1.00 0.89 H new ATOM 375 N GLU A 26 -10.461 -14.966 -0.125 1.00 0.64 N ATOM 376 CA GLU A 26 -9.298 -15.808 -0.308 1.00 0.60 C ATOM 377 C GLU A 26 -9.051 -16.064 -1.794 1.00 0.60 C ATOM 378 O GLU A 26 -7.917 -16.287 -2.214 1.00 0.59 O ATOM 379 CB GLU A 26 -9.517 -17.130 0.421 1.00 0.64 C ATOM 380 CG GLU A 26 -10.592 -18.004 -0.204 1.00 1.42 C ATOM 381 CD GLU A 26 -10.804 -19.301 0.552 1.00 1.61 C ATOM 382 OE1 GLU A 26 -11.600 -19.305 1.513 1.00 1.99 O ATOM 383 OE2 GLU A 26 -10.171 -20.313 0.182 1.00 1.74 O ATOM 0 H GLU A 26 -11.168 -15.356 0.498 1.00 0.64 H new ATOM 0 HA GLU A 26 -8.423 -15.304 0.102 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -8.578 -17.683 0.441 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -9.787 -16.923 1.457 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -11.530 -17.450 -0.238 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -10.318 -18.230 -1.234 1.00 1.42 H new ATOM 390 N ASP A 27 -10.124 -16.031 -2.584 1.00 0.65 N ATOM 391 CA ASP A 27 -10.022 -16.252 -4.024 1.00 0.70 C ATOM 392 C ASP A 27 -9.075 -15.237 -4.649 1.00 0.70 C ATOM 393 O ASP A 27 -8.201 -15.594 -5.440 1.00 0.71 O ATOM 394 CB ASP A 27 -11.400 -16.153 -4.681 1.00 0.80 C ATOM 395 CG ASP A 27 -12.328 -17.275 -4.253 1.00 1.44 C ATOM 396 OD1 ASP A 27 -12.950 -17.154 -3.177 1.00 2.29 O ATOM 397 OD2 ASP A 27 -12.432 -18.273 -4.995 1.00 1.62 O ATOM 0 H ASP A 27 -11.072 -15.854 -2.251 1.00 0.65 H new ATOM 0 HA ASP A 27 -9.626 -17.254 -4.190 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -11.852 -15.194 -4.427 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -11.285 -16.174 -5.765 1.00 0.80 H new ATOM 402 N LEU A 28 -9.256 -13.970 -4.291 1.00 0.73 N ATOM 403 CA LEU A 28 -8.403 -12.907 -4.801 1.00 0.78 C ATOM 404 C LEU A 28 -6.967 -13.121 -4.341 1.00 0.74 C ATOM 405 O LEU A 28 -6.021 -12.828 -5.072 1.00 0.77 O ATOM 406 CB LEU A 28 -8.908 -11.536 -4.346 1.00 0.90 C ATOM 407 CG LEU A 28 -9.769 -10.785 -5.369 1.00 1.08 C ATOM 408 CD1 LEU A 28 -8.944 -10.413 -6.593 1.00 1.65 C ATOM 409 CD2 LEU A 28 -10.976 -11.620 -5.777 1.00 1.60 C ATOM 0 H LEU A 28 -9.985 -13.656 -3.650 1.00 0.73 H new ATOM 0 HA LEU A 28 -8.434 -12.936 -5.890 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -9.488 -11.665 -3.432 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -8.048 -10.915 -4.093 1.00 0.90 H new ATOM 0 HG LEU A 28 -10.128 -9.868 -4.901 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.572 -9.881 -7.307 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -8.115 -9.773 -6.292 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -8.553 -11.318 -7.057 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -11.572 -11.067 -6.503 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -10.637 -12.556 -6.222 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -11.583 -11.836 -4.898 1.00 1.60 H new ATOM 415 N ILE A 29 -6.815 -13.628 -3.119 1.00 0.70 N ATOM 416 CA ILE A 29 -5.492 -13.890 -2.565 1.00 0.72 C ATOM 417 C ILE A 29 -4.709 -14.842 -3.464 1.00 0.66 C ATOM 418 O ILE A 29 -3.550 -14.590 -3.793 1.00 0.70 O ATOM 419 CB ILE A 29 -5.572 -14.506 -1.150 1.00 0.76 C ATOM 420 CG1 ILE A 29 -5.904 -13.429 -0.111 1.00 1.01 C ATOM 421 CG2 ILE A 29 -4.263 -15.208 -0.797 1.00 0.90 C ATOM 422 CD1 ILE A 29 -5.881 -13.944 1.314 1.00 1.27 C ATOM 0 H ILE A 29 -7.589 -13.864 -2.498 1.00 0.70 H new ATOM 0 HA ILE A 29 -4.983 -12.928 -2.504 1.00 0.72 H new ATOM 0 HB ILE A 29 -6.372 -15.247 -1.142 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -5.191 -12.610 -0.206 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -6.891 -13.019 -0.326 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -4.338 -15.636 0.203 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.070 -16.002 -1.518 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -3.445 -14.488 -0.823 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -6.124 -13.131 1.999 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -6.614 -14.743 1.424 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -4.888 -14.328 1.546 1.00 1.27 H new ATOM 426 N GLN A 30 -5.350 -15.939 -3.856 1.00 0.61 N ATOM 427 CA GLN A 30 -4.715 -16.935 -4.713 1.00 0.62 C ATOM 428 C GLN A 30 -4.266 -16.318 -6.036 1.00 0.62 C ATOM 429 O GLN A 30 -3.163 -16.583 -6.513 1.00 0.64 O ATOM 430 CB GLN A 30 -5.674 -18.097 -4.978 1.00 0.68 C ATOM 431 CG GLN A 30 -6.305 -18.667 -3.716 1.00 0.73 C ATOM 432 CD GLN A 30 -5.278 -19.085 -2.683 1.00 0.99 C ATOM 433 OE1 GLN A 30 -4.169 -19.502 -3.023 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.639 -18.971 -1.410 1.00 1.08 N ATOM 0 H GLN A 30 -6.310 -16.161 -3.593 1.00 0.61 H new ATOM 0 HA GLN A 30 -3.833 -17.310 -4.194 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -6.464 -17.759 -5.648 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.135 -18.891 -5.495 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -6.970 -17.922 -3.279 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -6.920 -19.528 -3.979 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -6.567 -18.621 -1.172 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.988 -19.233 -0.670 1.00 1.08 H new ATOM 441 N LYS A 31 -5.129 -15.500 -6.626 1.00 0.65 N ATOM 442 CA LYS A 31 -4.824 -14.847 -7.895 1.00 0.72 C ATOM 443 C LYS A 31 -3.732 -13.791 -7.735 1.00 0.72 C ATOM 444 O LYS A 31 -2.950 -13.553 -8.655 1.00 0.76 O ATOM 445 CB LYS A 31 -6.084 -14.205 -8.475 1.00 0.86 C ATOM 446 CG LYS A 31 -7.151 -15.209 -8.875 1.00 1.19 C ATOM 447 CD LYS A 31 -8.439 -14.514 -9.290 1.00 1.49 C ATOM 448 CE LYS A 31 -9.406 -15.478 -9.954 1.00 2.17 C ATOM 449 NZ LYS A 31 -10.686 -14.810 -10.326 1.00 2.84 N ATOM 0 H LYS A 31 -6.048 -15.272 -6.246 1.00 0.65 H new ATOM 0 HA LYS A 31 -4.457 -15.612 -8.580 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -6.502 -13.517 -7.740 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -5.810 -13.612 -9.347 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -6.785 -15.822 -9.698 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.351 -15.881 -8.041 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -8.912 -14.069 -8.414 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.208 -13.699 -9.976 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -8.943 -15.900 -10.846 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -9.612 -16.309 -9.279 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -11.320 -15.501 -10.777 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -11.140 -14.429 -9.471 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.492 -14.033 -10.990 1.00 2.84 H new ATOM 463 N GLY A 32 -3.684 -13.161 -6.565 1.00 0.73 N ATOM 464 CA GLY A 32 -2.700 -12.118 -6.320 1.00 0.81 C ATOM 465 C GLY A 32 -1.355 -12.645 -5.846 1.00 0.76 C ATOM 466 O GLY A 32 -0.335 -11.976 -6.012 1.00 0.83 O ATOM 0 H GLY A 32 -4.308 -13.353 -5.781 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -2.554 -11.547 -7.237 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.093 -11.428 -5.573 1.00 0.81 H new ATOM 470 N LYS A 33 -1.342 -13.835 -5.254 1.00 0.72 N ATOM 471 CA LYS A 33 -0.101 -14.418 -4.752 1.00 0.76 C ATOM 472 C LYS A 33 0.743 -15.003 -5.882 1.00 0.70 C ATOM 473 O LYS A 33 1.972 -14.951 -5.837 1.00 0.77 O ATOM 474 CB LYS A 33 -0.400 -15.501 -3.713 1.00 0.83 C ATOM 475 CG LYS A 33 -1.177 -16.683 -4.269 1.00 0.79 C ATOM 476 CD LYS A 33 -1.354 -17.780 -3.232 1.00 0.92 C ATOM 477 CE LYS A 33 -0.028 -18.444 -2.890 1.00 1.16 C ATOM 478 NZ LYS A 33 -0.194 -19.524 -1.878 1.00 1.82 N ATOM 0 H LYS A 33 -2.171 -14.412 -5.110 1.00 0.72 H new ATOM 0 HA LYS A 33 0.470 -13.617 -4.283 1.00 0.76 H new ATOM 0 HB2 LYS A 33 0.540 -15.860 -3.295 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -0.966 -15.059 -2.893 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.155 -16.346 -4.612 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -0.655 -17.085 -5.138 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -1.795 -17.360 -2.328 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.051 -18.529 -3.609 1.00 0.92 H new ATOM 0 HE2 LYS A 33 0.414 -18.859 -3.795 1.00 1.16 H new ATOM 0 HE3 LYS A 33 0.667 -17.694 -2.511 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.731 -19.952 -1.672 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -0.593 -19.123 -1.005 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -0.837 -20.252 -2.250 1.00 1.82 H new ATOM 492 N ASP A 34 0.080 -15.554 -6.895 1.00 0.64 N ATOM 493 CA ASP A 34 0.780 -16.151 -8.029 1.00 0.65 C ATOM 494 C ASP A 34 1.201 -15.093 -9.043 1.00 0.57 C ATOM 495 O ASP A 34 2.016 -15.358 -9.927 1.00 0.60 O ATOM 496 CB ASP A 34 -0.102 -17.203 -8.707 1.00 0.74 C ATOM 497 CG ASP A 34 -0.345 -18.411 -7.824 1.00 1.17 C ATOM 498 OD1 ASP A 34 -1.282 -18.367 -6.999 1.00 1.89 O ATOM 499 OD2 ASP A 34 0.402 -19.402 -7.958 1.00 1.17 O ATOM 0 H ASP A 34 -0.937 -15.600 -6.954 1.00 0.64 H new ATOM 0 HA ASP A 34 1.680 -16.631 -7.646 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.058 -16.754 -8.974 1.00 0.74 H new ATOM 0 HB3 ASP A 34 0.370 -17.524 -9.636 1.00 0.74 H new ATOM 504 N ILE A 35 0.643 -13.892 -8.913 1.00 0.52 N ATOM 505 CA ILE A 35 0.967 -12.797 -9.821 1.00 0.48 C ATOM 506 C ILE A 35 1.692 -11.674 -9.092 1.00 0.43 C ATOM 507 O ILE A 35 1.318 -11.301 -7.980 1.00 0.46 O ATOM 508 CB ILE A 35 -0.300 -12.212 -10.480 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.143 -13.323 -11.116 1.00 0.61 C ATOM 510 CG2 ILE A 35 0.078 -11.162 -11.518 1.00 0.55 C ATOM 511 CD1 ILE A 35 -0.437 -14.072 -12.228 1.00 1.28 C ATOM 0 H ILE A 35 -0.034 -13.653 -8.189 1.00 0.52 H new ATOM 0 HA ILE A 35 1.615 -13.215 -10.591 1.00 0.48 H new ATOM 0 HB ILE A 35 -0.900 -11.732 -9.707 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -1.434 -14.033 -10.342 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -2.061 -12.888 -11.511 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.826 -10.759 -11.974 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.631 -10.356 -11.036 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.700 -11.619 -12.288 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -1.099 -14.841 -12.626 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -0.170 -13.376 -13.023 1.00 1.28 H new ATOM 0 HD13 ILE A 35 0.467 -14.539 -11.836 1.00 1.28 H new ATOM 515 N LYS A 36 2.731 -11.142 -9.723 1.00 0.40 N ATOM 516 CA LYS A 36 3.494 -10.047 -9.138 1.00 0.38 C ATOM 517 C LYS A 36 2.743 -8.735 -9.318 1.00 0.38 C ATOM 518 O LYS A 36 2.066 -8.531 -10.326 1.00 0.51 O ATOM 519 CB LYS A 36 4.879 -9.955 -9.785 1.00 0.41 C ATOM 520 CG LYS A 36 4.830 -9.795 -11.295 1.00 1.03 C ATOM 521 CD LYS A 36 6.222 -9.802 -11.908 1.00 1.53 C ATOM 522 CE LYS A 36 6.873 -11.172 -11.801 1.00 2.02 C ATOM 523 NZ LYS A 36 8.209 -11.201 -12.457 1.00 2.58 N ATOM 0 H LYS A 36 3.064 -11.450 -10.637 1.00 0.40 H new ATOM 0 HA LYS A 36 3.621 -10.240 -8.073 1.00 0.38 H new ATOM 0 HB2 LYS A 36 5.417 -9.111 -9.355 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.447 -10.853 -9.540 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.238 -10.602 -11.727 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.327 -8.861 -11.546 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.160 -9.509 -12.956 1.00 1.53 H new ATOM 0 HD3 LYS A 36 6.845 -9.062 -11.406 1.00 1.53 H new ATOM 0 HE2 LYS A 36 6.978 -11.444 -10.751 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.226 -11.919 -12.261 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 8.621 -12.151 -12.363 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 8.106 -10.966 -13.465 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 8.834 -10.506 -12.002 1.00 2.58 H new ATOM 537 N GLY A 37 2.865 -7.846 -8.340 1.00 0.45 N ATOM 538 CA GLY A 37 2.180 -6.570 -8.421 1.00 0.49 C ATOM 539 C GLY A 37 3.084 -5.497 -8.973 1.00 0.40 C ATOM 540 O GLY A 37 4.268 -5.736 -9.162 1.00 0.39 O ATOM 0 H GLY A 37 3.422 -7.984 -7.497 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.299 -6.668 -9.055 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.830 -6.279 -7.431 1.00 0.49 H new ATOM 544 N VAL A 38 2.535 -4.322 -9.252 1.00 0.42 N ATOM 545 CA VAL A 38 3.340 -3.226 -9.779 1.00 0.40 C ATOM 546 C VAL A 38 3.015 -1.921 -9.068 1.00 0.40 C ATOM 547 O VAL A 38 1.850 -1.565 -8.906 1.00 0.48 O ATOM 548 CB VAL A 38 3.124 -3.038 -11.292 1.00 0.51 C ATOM 549 CG1 VAL A 38 4.150 -2.066 -11.860 1.00 0.67 C ATOM 550 CG2 VAL A 38 3.185 -4.375 -12.017 1.00 0.80 C ATOM 0 H VAL A 38 1.547 -4.104 -9.124 1.00 0.42 H new ATOM 0 HA VAL A 38 4.383 -3.489 -9.602 1.00 0.40 H new ATOM 0 HB VAL A 38 2.131 -2.617 -11.447 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.983 -1.945 -12.930 1.00 0.67 H new ATOM 0 HG12 VAL A 38 4.049 -1.100 -11.365 1.00 0.67 H new ATOM 0 HG13 VAL A 38 5.154 -2.457 -11.692 1.00 0.67 H new ATOM 0 HG21 VAL A 38 3.030 -4.218 -13.084 1.00 0.80 H new ATOM 0 HG22 VAL A 38 4.161 -4.832 -11.856 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.408 -5.034 -11.631 1.00 0.80 H new ATOM 554 N SER A 39 4.055 -1.212 -8.650 1.00 0.37 N ATOM 555 CA SER A 39 3.883 0.060 -7.961 1.00 0.40 C ATOM 556 C SER A 39 4.866 1.097 -8.484 1.00 0.39 C ATOM 557 O SER A 39 6.023 0.785 -8.763 1.00 0.44 O ATOM 558 CB SER A 39 4.069 -0.119 -6.453 1.00 0.47 C ATOM 559 OG SER A 39 3.887 1.110 -5.769 1.00 1.40 O ATOM 0 H SER A 39 5.027 -1.496 -8.776 1.00 0.37 H new ATOM 0 HA SER A 39 2.870 0.413 -8.154 1.00 0.40 H new ATOM 0 HB2 SER A 39 3.357 -0.856 -6.080 1.00 0.47 H new ATOM 0 HB3 SER A 39 5.067 -0.508 -6.250 1.00 0.47 H new ATOM 0 HG SER A 39 4.009 0.970 -4.807 1.00 1.40 H new ATOM 565 N GLU A 40 4.395 2.326 -8.626 1.00 0.38 N ATOM 566 CA GLU A 40 5.234 3.415 -9.104 1.00 0.39 C ATOM 567 C GLU A 40 5.015 4.659 -8.251 1.00 0.39 C ATOM 568 O GLU A 40 3.882 5.103 -8.070 1.00 0.45 O ATOM 569 CB GLU A 40 4.929 3.718 -10.570 1.00 0.43 C ATOM 570 CG GLU A 40 5.827 4.787 -11.168 1.00 1.21 C ATOM 571 CD GLU A 40 5.256 5.387 -12.435 1.00 1.54 C ATOM 572 OE1 GLU A 40 4.510 6.384 -12.338 1.00 2.16 O ATOM 573 OE2 GLU A 40 5.557 4.863 -13.530 1.00 1.57 O ATOM 0 H GLU A 40 3.434 2.595 -8.417 1.00 0.38 H new ATOM 0 HA GLU A 40 6.278 3.113 -9.023 1.00 0.39 H new ATOM 0 HB2 GLU A 40 5.032 2.802 -11.151 1.00 0.43 H new ATOM 0 HB3 GLU A 40 3.890 4.036 -10.658 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.982 5.578 -10.434 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.805 4.356 -11.383 1.00 1.21 H new ATOM 580 N ILE A 41 6.101 5.219 -7.726 1.00 0.39 N ATOM 581 CA ILE A 41 6.006 6.402 -6.879 1.00 0.41 C ATOM 582 C ILE A 41 6.623 7.624 -7.544 1.00 0.40 C ATOM 583 O ILE A 41 7.815 7.639 -7.855 1.00 0.43 O ATOM 584 CB ILE A 41 6.704 6.178 -5.524 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.319 4.814 -4.946 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.343 7.295 -4.557 1.00 0.55 C ATOM 587 CD1 ILE A 41 7.085 4.446 -3.694 1.00 1.16 C ATOM 0 H ILE A 41 7.050 4.875 -7.871 1.00 0.39 H new ATOM 0 HA ILE A 41 4.942 6.579 -6.720 1.00 0.41 H new ATOM 0 HB ILE A 41 7.783 6.191 -5.677 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.252 4.812 -4.722 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.487 4.048 -5.703 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.842 7.126 -3.603 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.664 8.251 -4.970 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.264 7.309 -4.404 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.759 3.467 -3.342 1.00 1.16 H new ATOM 0 HD12 ILE A 41 8.152 4.415 -3.916 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.897 5.191 -2.920 1.00 1.16 H new ATOM 591 N VAL A 42 5.805 8.648 -7.755 1.00 0.39 N ATOM 592 CA VAL A 42 6.270 9.887 -8.355 1.00 0.41 C ATOM 593 C VAL A 42 6.339 10.982 -7.298 1.00 0.41 C ATOM 594 O VAL A 42 5.313 11.399 -6.759 1.00 0.42 O ATOM 595 CB VAL A 42 5.353 10.343 -9.503 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.966 11.522 -10.243 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.079 9.189 -10.456 1.00 0.50 C ATOM 0 H VAL A 42 4.813 8.642 -7.518 1.00 0.39 H new ATOM 0 HA VAL A 42 7.262 9.702 -8.766 1.00 0.41 H new ATOM 0 HB VAL A 42 4.403 10.667 -9.078 1.00 0.45 H new ATOM 0 HG11 VAL A 42 5.302 11.829 -11.051 1.00 0.52 H new ATOM 0 HG12 VAL A 42 6.105 12.353 -9.552 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.931 11.230 -10.657 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.429 9.529 -11.262 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.020 8.832 -10.875 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.592 8.378 -9.915 1.00 0.50 H new ATOM 601 N HIS A 43 7.547 11.446 -7.003 1.00 0.45 N ATOM 602 CA HIS A 43 7.736 12.483 -5.998 1.00 0.48 C ATOM 603 C HIS A 43 7.891 13.858 -6.638 1.00 0.51 C ATOM 604 O HIS A 43 8.851 14.117 -7.364 1.00 0.58 O ATOM 605 CB HIS A 43 8.958 12.156 -5.135 1.00 0.57 C ATOM 606 CG HIS A 43 9.371 13.275 -4.228 1.00 0.72 C ATOM 607 ND1 HIS A 43 10.501 14.037 -4.435 1.00 1.30 N ATOM 608 CD2 HIS A 43 8.794 13.758 -3.102 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.603 14.940 -3.476 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.579 14.792 -2.655 1.00 0.87 N ATOM 0 H HIS A 43 8.408 11.122 -7.444 1.00 0.45 H new ATOM 0 HA HIS A 43 6.847 12.510 -5.367 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.741 11.273 -4.533 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.794 11.900 -5.786 1.00 0.57 H new ATOM 0 HD2 HIS A 43 7.886 13.397 -2.642 1.00 0.78 H new ATOM 0 HE1 HIS A 43 11.389 15.674 -3.380 1.00 1.31 H new ATOM 0 HE2 HIS A 43 9.400 15.355 -1.823 1.00 0.87 H new ATOM 619 N GLU A 44 6.932 14.738 -6.358 1.00 0.51 N ATOM 620 CA GLU A 44 6.950 16.096 -6.888 1.00 0.58 C ATOM 621 C GLU A 44 6.550 17.096 -5.809 1.00 0.61 C ATOM 622 O GLU A 44 5.367 17.256 -5.506 1.00 0.64 O ATOM 623 CB GLU A 44 6.005 16.214 -8.086 1.00 0.63 C ATOM 624 CG GLU A 44 6.486 15.465 -9.318 1.00 1.32 C ATOM 625 CD GLU A 44 7.727 16.086 -9.929 1.00 1.93 C ATOM 626 OE1 GLU A 44 8.843 15.741 -9.488 1.00 2.53 O ATOM 627 OE2 GLU A 44 7.583 16.916 -10.852 1.00 2.45 O ATOM 0 H GLU A 44 6.129 14.531 -5.764 1.00 0.51 H new ATOM 0 HA GLU A 44 7.965 16.322 -7.216 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.023 15.836 -7.802 1.00 0.63 H new ATOM 0 HB3 GLU A 44 5.880 17.267 -8.337 1.00 0.63 H new ATOM 0 HG2 GLU A 44 6.696 14.430 -9.050 1.00 1.32 H new ATOM 0 HG3 GLU A 44 5.689 15.447 -10.062 1.00 1.32 H new ATOM 634 N GLY A 45 7.540 17.768 -5.231 1.00 0.65 N ATOM 635 CA GLY A 45 7.267 18.738 -4.188 1.00 0.70 C ATOM 636 C GLY A 45 6.774 18.088 -2.910 1.00 0.81 C ATOM 637 O GLY A 45 7.489 17.297 -2.294 1.00 1.77 O ATOM 0 H GLY A 45 8.526 17.658 -5.467 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.173 19.306 -3.978 1.00 0.70 H new ATOM 0 HA3 GLY A 45 6.520 19.449 -4.543 1.00 0.70 H new ATOM 641 N LYS A 46 5.548 18.418 -2.511 1.00 0.68 N ATOM 642 CA LYS A 46 4.960 17.853 -1.301 1.00 0.64 C ATOM 643 C LYS A 46 3.900 16.813 -1.645 1.00 0.57 C ATOM 644 O LYS A 46 3.450 16.063 -0.779 1.00 0.60 O ATOM 645 CB LYS A 46 4.349 18.958 -0.435 1.00 0.69 C ATOM 646 CG LYS A 46 3.424 19.890 -1.195 1.00 1.50 C ATOM 647 CD LYS A 46 2.832 20.946 -0.277 1.00 1.65 C ATOM 648 CE LYS A 46 1.860 21.842 -1.025 1.00 2.57 C ATOM 649 NZ LYS A 46 0.609 21.124 -1.388 1.00 3.15 N ATOM 0 H LYS A 46 4.944 19.073 -3.008 1.00 0.68 H new ATOM 0 HA LYS A 46 5.755 17.363 -0.739 1.00 0.64 H new ATOM 0 HB2 LYS A 46 3.795 18.500 0.385 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.153 19.543 0.011 1.00 0.69 H new ATOM 0 HG2 LYS A 46 3.974 20.373 -2.003 1.00 1.50 H new ATOM 0 HG3 LYS A 46 2.622 19.314 -1.656 1.00 1.50 H new ATOM 0 HD2 LYS A 46 2.319 20.463 0.554 1.00 1.65 H new ATOM 0 HD3 LYS A 46 3.632 21.550 0.150 1.00 1.65 H new ATOM 0 HE2 LYS A 46 1.616 22.707 -0.408 1.00 2.57 H new ATOM 0 HE3 LYS A 46 2.337 22.220 -1.929 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 -0.092 21.806 -1.743 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 0.814 20.422 -2.127 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 0.229 20.642 -0.548 1.00 3.15 H new ATOM 663 N LYS A 47 3.505 16.769 -2.915 1.00 0.55 N ATOM 664 CA LYS A 47 2.496 15.818 -3.369 1.00 0.52 C ATOM 665 C LYS A 47 3.145 14.626 -4.069 1.00 0.47 C ATOM 666 O LYS A 47 3.988 14.792 -4.950 1.00 0.53 O ATOM 667 CB LYS A 47 1.500 16.505 -4.309 1.00 0.61 C ATOM 668 CG LYS A 47 2.133 17.062 -5.573 1.00 1.25 C ATOM 669 CD LYS A 47 1.102 17.708 -6.481 1.00 1.65 C ATOM 670 CE LYS A 47 1.675 17.992 -7.859 1.00 2.25 C ATOM 671 NZ LYS A 47 0.685 18.658 -8.748 1.00 2.71 N ATOM 0 H LYS A 47 3.868 17.380 -3.646 1.00 0.55 H new ATOM 0 HA LYS A 47 1.960 15.450 -2.494 1.00 0.52 H new ATOM 0 HB2 LYS A 47 0.725 15.791 -4.587 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.008 17.316 -3.772 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.893 17.796 -5.306 1.00 1.25 H new ATOM 0 HG3 LYS A 47 2.639 16.260 -6.110 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.236 17.053 -6.574 1.00 1.65 H new ATOM 0 HD3 LYS A 47 0.752 18.638 -6.032 1.00 1.65 H new ATOM 0 HE2 LYS A 47 2.558 18.624 -7.761 1.00 2.25 H new ATOM 0 HE3 LYS A 47 2.001 17.058 -8.316 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 1.116 18.834 -9.678 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -0.147 18.044 -8.863 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 0.392 19.562 -8.326 1.00 2.71 H new ATOM 685 N VAL A 48 2.746 13.423 -3.667 1.00 0.44 N ATOM 686 CA VAL A 48 3.287 12.201 -4.249 1.00 0.44 C ATOM 687 C VAL A 48 2.185 11.364 -4.891 1.00 0.43 C ATOM 688 O VAL A 48 1.185 11.040 -4.250 1.00 0.52 O ATOM 689 CB VAL A 48 4.011 11.350 -3.188 1.00 0.50 C ATOM 690 CG1 VAL A 48 4.603 10.098 -3.813 1.00 1.36 C ATOM 691 CG2 VAL A 48 5.087 12.167 -2.493 1.00 1.31 C ATOM 0 H VAL A 48 2.048 13.269 -2.939 1.00 0.44 H new ATOM 0 HA VAL A 48 4.002 12.502 -5.014 1.00 0.44 H new ATOM 0 HB VAL A 48 3.280 11.041 -2.441 1.00 0.50 H new ATOM 0 HG11 VAL A 48 5.109 9.513 -3.045 1.00 1.36 H new ATOM 0 HG12 VAL A 48 3.806 9.502 -4.258 1.00 1.36 H new ATOM 0 HG13 VAL A 48 5.319 10.380 -4.585 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.588 11.550 -1.747 1.00 1.31 H new ATOM 0 HG22 VAL A 48 5.815 12.510 -3.228 1.00 1.31 H new ATOM 0 HG23 VAL A 48 4.631 13.028 -2.005 1.00 1.31 H new ATOM 695 N LYS A 49 2.376 11.013 -6.160 1.00 0.43 N ATOM 696 CA LYS A 49 1.403 10.213 -6.886 1.00 0.44 C ATOM 697 C LYS A 49 1.766 8.732 -6.816 1.00 0.42 C ATOM 698 O LYS A 49 2.867 8.334 -7.194 1.00 0.44 O ATOM 699 CB LYS A 49 1.338 10.678 -8.344 1.00 0.51 C ATOM 700 CG LYS A 49 0.713 9.661 -9.280 1.00 1.22 C ATOM 701 CD LYS A 49 0.566 10.208 -10.692 1.00 1.35 C ATOM 702 CE LYS A 49 1.918 10.433 -11.351 1.00 1.95 C ATOM 703 NZ LYS A 49 1.782 10.965 -12.736 1.00 2.54 N ATOM 0 H LYS A 49 3.198 11.272 -6.705 1.00 0.43 H new ATOM 0 HA LYS A 49 0.424 10.345 -6.425 1.00 0.44 H new ATOM 0 HB2 LYS A 49 0.767 11.605 -8.395 1.00 0.51 H new ATOM 0 HB3 LYS A 49 2.347 10.905 -8.689 1.00 0.51 H new ATOM 0 HG2 LYS A 49 1.327 8.761 -9.301 1.00 1.22 H new ATOM 0 HG3 LYS A 49 -0.266 9.370 -8.899 1.00 1.22 H new ATOM 0 HD2 LYS A 49 -0.020 9.513 -11.293 1.00 1.35 H new ATOM 0 HD3 LYS A 49 0.014 11.148 -10.663 1.00 1.35 H new ATOM 0 HE2 LYS A 49 2.502 11.130 -10.751 1.00 1.95 H new ATOM 0 HE3 LYS A 49 2.470 9.493 -11.376 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 2.726 11.104 -13.149 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 1.246 10.289 -13.317 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 1.278 11.874 -12.711 1.00 2.54 H new ATOM 717 N LEU A 50 0.832 7.919 -6.330 1.00 0.40 N ATOM 718 CA LEU A 50 1.059 6.484 -6.211 1.00 0.40 C ATOM 719 C LEU A 50 0.128 5.707 -7.136 1.00 0.36 C ATOM 720 O LEU A 50 -1.094 5.849 -7.062 1.00 0.38 O ATOM 721 CB LEU A 50 0.855 6.031 -4.764 1.00 0.48 C ATOM 722 CG LEU A 50 1.156 4.554 -4.495 1.00 0.74 C ATOM 723 CD1 LEU A 50 2.618 4.245 -4.775 1.00 1.34 C ATOM 724 CD2 LEU A 50 0.799 4.189 -3.061 1.00 1.69 C ATOM 0 H LEU A 50 -0.087 8.229 -6.013 1.00 0.40 H new ATOM 0 HA LEU A 50 2.088 6.279 -6.506 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.489 6.638 -4.117 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.178 6.233 -4.479 1.00 0.48 H new ATOM 0 HG LEU A 50 0.544 3.952 -5.167 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.811 3.191 -4.578 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.843 4.466 -5.818 1.00 1.34 H new ATOM 0 HD13 LEU A 50 3.249 4.856 -4.130 1.00 1.34 H new ATOM 0 HD21 LEU A 50 1.020 3.136 -2.888 1.00 1.69 H new ATOM 0 HD22 LEU A 50 1.384 4.800 -2.374 1.00 1.69 H new ATOM 0 HD23 LEU A 50 -0.263 4.370 -2.893 1.00 1.69 H new ATOM 730 N THR A 51 0.713 4.886 -8.001 1.00 0.36 N ATOM 731 CA THR A 51 -0.066 4.087 -8.938 1.00 0.37 C ATOM 732 C THR A 51 0.277 2.605 -8.820 1.00 0.39 C ATOM 733 O THR A 51 1.443 2.218 -8.896 1.00 0.45 O ATOM 734 CB THR A 51 0.171 4.542 -10.392 1.00 0.47 C ATOM 735 OG1 THR A 51 -0.131 5.935 -10.525 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.688 3.741 -11.360 1.00 0.63 C ATOM 0 H THR A 51 1.722 4.757 -8.072 1.00 0.36 H new ATOM 0 HA THR A 51 -1.115 4.234 -8.682 1.00 0.37 H new ATOM 0 HB THR A 51 1.220 4.371 -10.634 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.024 6.216 -11.451 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.502 4.081 -12.379 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.437 2.683 -11.279 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.741 3.884 -11.116 1.00 0.63 H new ATOM 741 N ILE A 52 -0.750 1.781 -8.634 1.00 0.41 N ATOM 742 CA ILE A 52 -0.568 0.338 -8.515 1.00 0.47 C ATOM 743 C ILE A 52 -1.499 -0.392 -9.476 1.00 0.56 C ATOM 744 O ILE A 52 -2.700 -0.134 -9.504 1.00 0.63 O ATOM 745 CB ILE A 52 -0.839 -0.151 -7.077 1.00 0.55 C ATOM 746 CG1 ILE A 52 0.028 0.621 -6.078 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.577 -1.648 -6.969 1.00 1.10 C ATOM 748 CD1 ILE A 52 -0.283 0.304 -4.628 1.00 1.76 C ATOM 0 H ILE A 52 -1.720 2.089 -8.562 1.00 0.41 H new ATOM 0 HA ILE A 52 0.470 0.118 -8.766 1.00 0.47 H new ATOM 0 HB ILE A 52 -1.886 0.034 -6.838 1.00 0.55 H new ATOM 0 HG12 ILE A 52 1.077 0.398 -6.272 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.106 1.690 -6.244 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -0.772 -1.979 -5.949 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.233 -2.183 -7.656 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.462 -1.855 -7.225 1.00 1.10 H new ATOM 0 HD11 ILE A 52 0.370 0.888 -3.980 1.00 1.76 H new ATOM 0 HD12 ILE A 52 -1.323 0.554 -4.416 1.00 1.76 H new ATOM 0 HD13 ILE A 52 -0.121 -0.758 -4.445 1.00 1.76 H new ATOM 752 N THR A 53 -0.942 -1.306 -10.266 1.00 0.63 N ATOM 753 CA THR A 53 -1.742 -2.054 -11.227 1.00 0.76 C ATOM 754 C THR A 53 -1.709 -3.553 -10.950 1.00 0.81 C ATOM 755 O THR A 53 -0.642 -4.143 -10.775 1.00 0.80 O ATOM 756 CB THR A 53 -1.258 -1.802 -12.669 1.00 0.85 C ATOM 757 OG1 THR A 53 -1.291 -0.399 -12.959 1.00 0.87 O ATOM 758 CG2 THR A 53 -2.124 -2.549 -13.674 1.00 1.00 C ATOM 0 H THR A 53 0.050 -1.544 -10.259 1.00 0.63 H new ATOM 0 HA THR A 53 -2.767 -1.699 -11.118 1.00 0.76 H new ATOM 0 HB THR A 53 -0.235 -2.169 -12.751 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.981 -0.247 -13.876 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.761 -2.354 -14.683 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.076 -3.619 -13.472 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.156 -2.210 -13.588 1.00 1.00 H new ATOM 763 N TYR A 54 -2.892 -4.159 -10.910 1.00 0.93 N ATOM 764 CA TYR A 54 -3.019 -5.594 -10.675 1.00 1.04 C ATOM 765 C TYR A 54 -3.744 -6.260 -11.838 1.00 1.18 C ATOM 766 O TYR A 54 -4.948 -6.073 -12.018 1.00 1.53 O ATOM 767 CB TYR A 54 -3.773 -5.863 -9.372 1.00 1.11 C ATOM 768 CG TYR A 54 -2.990 -5.517 -8.126 1.00 1.63 C ATOM 769 CD1 TYR A 54 -1.803 -6.173 -7.822 1.00 1.53 C ATOM 770 CD2 TYR A 54 -3.439 -4.534 -7.252 1.00 2.57 C ATOM 771 CE1 TYR A 54 -1.086 -5.859 -6.683 1.00 2.31 C ATOM 772 CE2 TYR A 54 -2.727 -4.216 -6.110 1.00 3.42 C ATOM 773 CZ TYR A 54 -1.553 -4.880 -5.832 1.00 3.28 C ATOM 774 OH TYR A 54 -0.842 -4.565 -4.696 1.00 4.18 O ATOM 0 H TYR A 54 -3.781 -3.676 -11.038 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.017 -6.015 -10.593 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -4.701 -5.291 -9.376 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.049 -6.917 -9.335 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -1.435 -6.941 -8.487 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.358 -4.010 -7.468 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -0.165 -6.378 -6.461 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.090 -3.451 -5.440 1.00 3.42 H new ATOM 0 HH TYR A 54 -1.306 -3.855 -4.206 1.00 4.18 H new ATOM 784 N GLY A 55 -3.009 -7.036 -12.626 1.00 1.09 N ATOM 785 CA GLY A 55 -3.604 -7.709 -13.766 1.00 1.20 C ATOM 786 C GLY A 55 -3.991 -6.741 -14.869 1.00 1.22 C ATOM 787 O GLY A 55 -3.244 -6.559 -15.830 1.00 2.00 O ATOM 0 H GLY A 55 -2.013 -7.211 -12.496 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.901 -8.443 -14.160 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.488 -8.258 -13.441 1.00 1.20 H new ATOM 791 N SER A 56 -5.158 -6.119 -14.731 1.00 0.89 N ATOM 792 CA SER A 56 -5.638 -5.164 -15.725 1.00 1.23 C ATOM 793 C SER A 56 -6.367 -3.994 -15.065 1.00 1.14 C ATOM 794 O SER A 56 -7.086 -3.247 -15.728 1.00 1.30 O ATOM 795 CB SER A 56 -6.566 -5.863 -16.719 1.00 1.66 C ATOM 796 OG SER A 56 -6.993 -4.971 -17.737 1.00 2.20 O ATOM 0 H SER A 56 -5.788 -6.259 -13.941 1.00 0.89 H new ATOM 0 HA SER A 56 -4.772 -4.767 -16.256 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.049 -6.711 -17.168 1.00 1.66 H new ATOM 0 HB3 SER A 56 -7.434 -6.261 -16.193 1.00 1.66 H new ATOM 0 HG SER A 56 -7.160 -4.087 -17.348 1.00 2.20 H new ATOM 802 N LYS A 57 -6.172 -3.835 -13.759 1.00 0.92 N ATOM 803 CA LYS A 57 -6.815 -2.755 -13.016 1.00 0.86 C ATOM 804 C LYS A 57 -5.799 -1.689 -12.623 1.00 0.77 C ATOM 805 O LYS A 57 -4.765 -1.995 -12.033 1.00 0.77 O ATOM 806 CB LYS A 57 -7.498 -3.303 -11.763 1.00 0.89 C ATOM 807 CG LYS A 57 -8.189 -2.236 -10.926 1.00 0.91 C ATOM 808 CD LYS A 57 -8.809 -2.833 -9.673 1.00 1.02 C ATOM 809 CE LYS A 57 -9.819 -1.887 -9.045 1.00 1.79 C ATOM 810 NZ LYS A 57 -10.941 -1.576 -9.973 1.00 2.51 N ATOM 0 H LYS A 57 -5.575 -4.439 -13.194 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.566 -2.301 -13.663 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.232 -4.052 -12.059 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.755 -3.810 -11.147 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.469 -1.467 -10.647 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.962 -1.749 -11.520 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -9.297 -3.775 -9.921 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -8.025 -3.061 -8.951 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.215 -2.333 -8.133 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -9.319 -0.962 -8.757 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -11.782 -1.306 -9.423 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.668 -0.790 -10.597 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -11.158 -2.415 -10.548 1.00 2.51 H new ATOM 824 N VAL A 58 -6.102 -0.439 -12.951 1.00 0.75 N ATOM 825 CA VAL A 58 -5.213 0.667 -12.625 1.00 0.70 C ATOM 826 C VAL A 58 -5.683 1.393 -11.369 1.00 0.63 C ATOM 827 O VAL A 58 -6.833 1.825 -11.281 1.00 0.66 O ATOM 828 CB VAL A 58 -5.123 1.676 -13.789 1.00 0.76 C ATOM 829 CG1 VAL A 58 -4.186 2.822 -13.436 1.00 1.38 C ATOM 830 CG2 VAL A 58 -4.671 0.980 -15.063 1.00 1.31 C ATOM 0 H VAL A 58 -6.954 -0.167 -13.441 1.00 0.75 H new ATOM 0 HA VAL A 58 -4.225 0.242 -12.447 1.00 0.70 H new ATOM 0 HB VAL A 58 -6.115 2.092 -13.961 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -4.137 3.522 -14.270 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -4.559 3.338 -12.551 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -3.190 2.428 -13.234 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -4.613 1.706 -15.874 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.689 0.533 -14.905 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -5.386 0.200 -15.325 1.00 1.31 H new ATOM 834 N ILE A 59 -4.782 1.527 -10.403 1.00 0.59 N ATOM 835 CA ILE A 59 -5.097 2.203 -9.150 1.00 0.56 C ATOM 836 C ILE A 59 -4.293 3.487 -9.019 1.00 0.50 C ATOM 837 O ILE A 59 -3.067 3.454 -8.944 1.00 0.48 O ATOM 838 CB ILE A 59 -4.810 1.299 -7.933 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.595 -0.013 -8.040 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.147 2.024 -6.636 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.099 0.171 -8.058 1.00 1.60 C ATOM 0 H ILE A 59 -3.826 1.176 -10.463 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.161 2.438 -9.168 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.746 1.061 -7.925 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.292 -0.533 -8.948 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.327 -0.655 -7.201 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -4.938 1.371 -5.789 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.541 2.927 -6.556 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.203 2.294 -6.634 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -7.584 -0.802 -8.135 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -7.416 0.662 -7.138 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.380 0.785 -8.913 1.00 1.60 H new ATOM 845 N HIS A 60 -4.988 4.615 -8.990 1.00 0.50 N ATOM 846 CA HIS A 60 -4.331 5.912 -8.869 1.00 0.48 C ATOM 847 C HIS A 60 -4.722 6.610 -7.571 1.00 0.49 C ATOM 848 O HIS A 60 -5.896 6.635 -7.195 1.00 0.57 O ATOM 849 CB HIS A 60 -4.683 6.800 -10.065 1.00 0.55 C ATOM 850 CG HIS A 60 -6.151 7.048 -10.217 1.00 1.14 C ATOM 851 ND1 HIS A 60 -6.808 8.089 -9.591 1.00 1.39 N ATOM 852 CD2 HIS A 60 -7.094 6.387 -10.928 1.00 2.15 C ATOM 853 CE1 HIS A 60 -8.090 8.054 -9.910 1.00 2.24 C ATOM 854 NE2 HIS A 60 -8.288 7.031 -10.721 1.00 2.74 N ATOM 0 H HIS A 60 -6.005 4.660 -9.048 1.00 0.50 H new ATOM 0 HA HIS A 60 -3.255 5.741 -8.854 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -4.171 7.756 -9.960 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -4.306 6.335 -10.976 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.936 5.514 -11.544 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -8.846 8.744 -9.566 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -9.184 6.763 -11.128 1.00 2.74 H new ATOM 863 N ASN A 61 -3.731 7.175 -6.887 1.00 0.45 N ATOM 864 CA ASN A 61 -3.970 7.880 -5.631 1.00 0.50 C ATOM 865 C ASN A 61 -2.977 9.025 -5.454 1.00 0.47 C ATOM 866 O ASN A 61 -1.937 9.065 -6.110 1.00 0.69 O ATOM 867 CB ASN A 61 -3.864 6.914 -4.448 1.00 0.58 C ATOM 868 CG ASN A 61 -4.930 5.837 -4.484 1.00 0.86 C ATOM 869 OD1 ASN A 61 -4.727 4.767 -5.059 1.00 1.79 O ATOM 870 ND2 ASN A 61 -6.073 6.112 -3.868 1.00 1.01 N ATOM 0 H ASN A 61 -2.755 7.158 -7.181 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.978 8.294 -5.663 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.879 6.447 -4.451 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.948 7.474 -3.517 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -6.826 5.424 -3.859 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -6.199 7.012 -3.404 1.00 1.01 H new ATOM 875 N GLU A 62 -3.310 9.961 -4.569 1.00 0.49 N ATOM 876 CA GLU A 62 -2.447 11.107 -4.304 1.00 0.50 C ATOM 877 C GLU A 62 -2.519 11.507 -2.832 1.00 0.49 C ATOM 878 O GLU A 62 -3.596 11.511 -2.235 1.00 0.57 O ATOM 879 CB GLU A 62 -2.847 12.287 -5.192 1.00 0.69 C ATOM 880 CG GLU A 62 -1.946 13.501 -5.037 1.00 1.45 C ATOM 881 CD GLU A 62 -2.404 14.677 -5.879 1.00 1.63 C ATOM 882 OE1 GLU A 62 -1.963 14.783 -7.041 1.00 2.01 O ATOM 883 OE2 GLU A 62 -3.204 15.492 -5.373 1.00 1.80 O ATOM 0 H GLU A 62 -4.172 9.948 -4.023 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.420 10.824 -4.534 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -2.834 11.967 -6.234 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -3.872 12.574 -4.959 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -1.919 13.798 -3.989 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.928 13.232 -5.318 1.00 1.45 H new ATOM 890 N PHE A 63 -1.369 11.845 -2.252 1.00 0.44 N ATOM 891 CA PHE A 63 -1.311 12.238 -0.847 1.00 0.45 C ATOM 892 C PHE A 63 -0.206 13.258 -0.591 1.00 0.44 C ATOM 893 O PHE A 63 0.808 13.284 -1.292 1.00 0.45 O ATOM 894 CB PHE A 63 -1.100 11.009 0.040 1.00 0.49 C ATOM 895 CG PHE A 63 0.026 10.122 -0.411 1.00 0.70 C ATOM 896 CD1 PHE A 63 1.335 10.420 -0.072 1.00 0.98 C ATOM 897 CD2 PHE A 63 -0.224 8.992 -1.176 1.00 1.10 C ATOM 898 CE1 PHE A 63 2.376 9.609 -0.487 1.00 1.45 C ATOM 899 CE2 PHE A 63 0.812 8.179 -1.594 1.00 1.54 C ATOM 900 CZ PHE A 63 2.105 8.474 -1.242 1.00 1.66 C ATOM 0 H PHE A 63 -0.469 11.855 -2.731 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.264 12.705 -0.598 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -0.904 11.338 1.061 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.021 10.427 0.064 1.00 0.49 H new ATOM 0 HD1 PHE A 63 1.546 11.296 0.523 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -1.240 8.745 -1.448 1.00 1.10 H new ATOM 0 HE1 PHE A 63 3.394 9.857 -0.226 1.00 1.45 H new ATOM 0 HE2 PHE A 63 0.604 7.309 -2.199 1.00 1.54 H new ATOM 0 HZ PHE A 63 2.911 7.825 -1.551 1.00 1.66 H new ATOM 910 N THR A 64 -0.414 14.095 0.420 1.00 0.47 N ATOM 911 CA THR A 64 0.556 15.120 0.788 1.00 0.49 C ATOM 912 C THR A 64 1.395 14.670 1.981 1.00 0.49 C ATOM 913 O THR A 64 0.858 14.206 2.988 1.00 0.55 O ATOM 914 CB THR A 64 -0.139 16.451 1.136 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.942 16.888 0.034 1.00 0.62 O ATOM 916 CG2 THR A 64 0.882 17.527 1.479 1.00 0.62 C ATOM 0 H THR A 64 -1.251 14.083 1.002 1.00 0.47 H new ATOM 0 HA THR A 64 1.204 15.273 -0.075 1.00 0.49 H new ATOM 0 HB THR A 64 -0.773 16.283 2.007 1.00 0.57 H new ATOM 0 HG1 THR A 64 -1.381 17.733 0.264 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.365 18.456 1.720 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.473 17.207 2.337 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.540 17.690 0.625 1.00 0.62 H new ATOM 921 N LEU A 65 2.712 14.808 1.861 1.00 0.47 N ATOM 922 CA LEU A 65 3.624 14.410 2.926 1.00 0.50 C ATOM 923 C LEU A 65 3.544 15.377 4.103 1.00 0.53 C ATOM 924 O LEU A 65 3.819 16.567 3.959 1.00 0.99 O ATOM 925 CB LEU A 65 5.061 14.348 2.401 1.00 0.72 C ATOM 926 CG LEU A 65 5.283 13.402 1.219 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.722 13.486 0.733 1.00 1.57 C ATOM 928 CD2 LEU A 65 4.932 11.972 1.603 1.00 1.42 C ATOM 0 H LEU A 65 3.171 15.193 1.036 1.00 0.47 H new ATOM 0 HA LEU A 65 3.326 13.420 3.271 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.366 15.352 2.105 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.716 14.044 3.217 1.00 0.72 H new ATOM 0 HG LEU A 65 4.625 13.709 0.406 1.00 1.05 H new ATOM 0 HD11 LEU A 65 6.862 12.807 -0.108 1.00 1.57 H new ATOM 0 HD12 LEU A 65 6.940 14.506 0.416 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.396 13.206 1.542 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.097 11.315 0.749 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.562 11.653 2.433 1.00 1.42 H new ATOM 0 HD23 LEU A 65 3.885 11.922 1.902 1.00 1.42 H new ATOM 934 N GLY A 66 3.164 14.856 5.267 1.00 0.46 N ATOM 935 CA GLY A 66 3.057 15.684 6.454 1.00 0.60 C ATOM 936 C GLY A 66 1.633 16.120 6.736 1.00 0.61 C ATOM 937 O GLY A 66 1.343 16.655 7.807 1.00 0.80 O ATOM 0 H GLY A 66 2.928 13.874 5.408 1.00 0.46 H new ATOM 0 HA2 GLY A 66 3.441 15.133 7.312 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.686 16.566 6.335 1.00 0.60 H new ATOM 941 N GLU A 67 0.742 15.888 5.778 1.00 0.54 N ATOM 942 CA GLU A 67 -0.658 16.263 5.929 1.00 0.57 C ATOM 943 C GLU A 67 -1.569 15.053 5.752 1.00 0.55 C ATOM 944 O GLU A 67 -1.184 14.058 5.138 1.00 0.55 O ATOM 945 CB GLU A 67 -1.031 17.348 4.917 1.00 0.60 C ATOM 946 CG GLU A 67 -0.254 18.642 5.096 1.00 1.30 C ATOM 947 CD GLU A 67 -0.518 19.299 6.437 1.00 1.85 C ATOM 948 OE1 GLU A 67 -1.528 20.025 6.554 1.00 2.14 O ATOM 949 OE2 GLU A 67 0.285 19.089 7.370 1.00 2.66 O ATOM 0 H GLU A 67 0.965 15.442 4.888 1.00 0.54 H new ATOM 0 HA GLU A 67 -0.795 16.654 6.937 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.860 16.968 3.910 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -2.097 17.560 5.001 1.00 0.60 H new ATOM 0 HG2 GLU A 67 0.812 18.438 4.999 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -0.520 19.335 4.297 1.00 1.30 H new ATOM 956 N GLU A 68 -2.777 15.147 6.298 1.00 0.60 N ATOM 957 CA GLU A 68 -3.751 14.066 6.203 1.00 0.61 C ATOM 958 C GLU A 68 -4.562 14.185 4.916 1.00 0.63 C ATOM 959 O GLU A 68 -5.252 15.181 4.699 1.00 0.71 O ATOM 960 CB GLU A 68 -4.685 14.093 7.414 1.00 0.71 C ATOM 961 CG GLU A 68 -5.771 13.029 7.376 1.00 0.74 C ATOM 962 CD GLU A 68 -6.739 13.142 8.537 1.00 1.01 C ATOM 963 OE1 GLU A 68 -6.477 12.521 9.589 1.00 1.32 O ATOM 964 OE2 GLU A 68 -7.756 13.850 8.395 1.00 1.05 O ATOM 0 H GLU A 68 -3.106 15.964 6.813 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.214 13.118 6.188 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.093 13.963 8.320 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.154 15.075 7.478 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.322 13.111 6.439 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.308 12.042 7.388 1.00 0.74 H new ATOM 971 N CYS A 69 -4.473 13.166 4.068 1.00 0.61 N ATOM 972 CA CYS A 69 -5.206 13.159 2.807 1.00 0.67 C ATOM 973 C CYS A 69 -6.300 12.097 2.828 1.00 0.67 C ATOM 974 O CYS A 69 -6.228 11.133 3.589 1.00 0.64 O ATOM 975 CB CYS A 69 -4.255 12.904 1.637 1.00 0.73 C ATOM 976 SG CYS A 69 -5.014 13.120 0.010 1.00 1.86 S ATOM 0 H CYS A 69 -3.902 12.336 4.230 1.00 0.61 H new ATOM 0 HA CYS A 69 -5.670 14.137 2.678 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -3.403 13.579 1.721 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -3.866 11.889 1.713 1.00 0.73 H new ATOM 0 HG CYS A 69 -4.376 12.402 -0.865 1.00 1.86 H new ATOM 982 N GLU A 70 -7.312 12.280 1.986 1.00 0.75 N ATOM 983 CA GLU A 70 -8.422 11.338 1.915 1.00 0.77 C ATOM 984 C GLU A 70 -8.238 10.367 0.751 1.00 0.81 C ATOM 985 O GLU A 70 -8.145 10.780 -0.405 1.00 0.87 O ATOM 986 CB GLU A 70 -9.747 12.091 1.771 1.00 0.84 C ATOM 987 CG GLU A 70 -10.971 11.207 1.940 1.00 0.91 C ATOM 988 CD GLU A 70 -12.265 11.996 1.943 1.00 1.22 C ATOM 989 OE1 GLU A 70 -12.692 12.437 3.032 1.00 1.25 O ATOM 990 OE2 GLU A 70 -12.853 12.175 0.856 1.00 1.71 O ATOM 0 H GLU A 70 -7.386 13.070 1.345 1.00 0.75 H new ATOM 0 HA GLU A 70 -8.441 10.762 2.840 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -9.782 12.891 2.510 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -9.782 12.562 0.789 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -10.999 10.474 1.134 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -10.887 10.651 2.874 1.00 0.91 H new ATOM 997 N LEU A 71 -8.182 9.077 1.068 1.00 0.83 N ATOM 998 CA LEU A 71 -8.001 8.043 0.054 1.00 0.91 C ATOM 999 C LEU A 71 -9.211 7.126 -0.009 1.00 0.94 C ATOM 1000 O LEU A 71 -9.721 6.675 1.015 1.00 0.96 O ATOM 1001 CB LEU A 71 -6.742 7.215 0.347 1.00 0.99 C ATOM 1002 CG LEU A 71 -5.401 7.944 0.171 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.300 8.572 -1.212 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.211 8.996 1.256 1.00 1.91 C ATOM 0 H LEU A 71 -8.260 8.722 2.021 1.00 0.83 H new ATOM 0 HA LEU A 71 -7.887 8.539 -0.910 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.802 6.849 1.372 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -6.746 6.341 -0.304 1.00 0.99 H new ATOM 0 HG LEU A 71 -4.603 7.208 0.267 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -4.342 9.082 -1.311 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -5.377 7.794 -1.971 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -6.109 9.291 -1.345 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -4.255 9.499 1.111 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -6.018 9.727 1.200 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.224 8.516 2.235 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.663 6.852 -1.226 1.00 0.99 N ATOM 1011 CA GLU A 72 -10.808 5.983 -1.441 1.00 1.05 C ATOM 1012 C GLU A 72 -10.369 4.521 -1.482 1.00 1.11 C ATOM 1013 O GLU A 72 -9.505 4.143 -2.274 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.523 6.373 -2.738 1.00 1.13 C ATOM 1015 CG GLU A 72 -12.232 5.218 -3.421 1.00 1.52 C ATOM 1016 CD GLU A 72 -13.003 5.653 -4.651 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -14.194 6.003 -4.513 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -12.415 5.647 -5.754 1.00 1.82 O ATOM 0 H GLU A 72 -9.250 7.222 -2.082 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.504 6.103 -0.611 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -12.250 7.155 -2.519 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -10.795 6.799 -3.429 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -11.499 4.463 -3.705 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -12.917 4.748 -2.715 1.00 1.52 H new ATOM 1025 N THR A 73 -10.971 3.706 -0.622 1.00 1.12 N ATOM 1026 CA THR A 73 -10.643 2.286 -0.555 1.00 1.22 C ATOM 1027 C THR A 73 -11.210 1.531 -1.751 1.00 1.35 C ATOM 1028 O THR A 73 -11.990 2.078 -2.531 1.00 1.38 O ATOM 1029 CB THR A 73 -11.176 1.651 0.743 1.00 1.24 C ATOM 1030 OG1 THR A 73 -12.598 1.799 0.813 1.00 1.76 O ATOM 1031 CG2 THR A 73 -10.535 2.296 1.964 1.00 1.63 C ATOM 0 H THR A 73 -11.689 4.004 0.038 1.00 1.12 H new ATOM 0 HA THR A 73 -9.556 2.210 -0.569 1.00 1.22 H new ATOM 0 HB THR A 73 -10.921 0.591 0.734 1.00 1.24 H new ATOM 0 HG1 THR A 73 -12.820 2.731 1.021 1.00 1.76 H new ATOM 0 HG21 THR A 73 -10.927 1.831 2.869 1.00 1.63 H new ATOM 0 HG22 THR A 73 -9.455 2.158 1.924 1.00 1.63 H new ATOM 0 HG23 THR A 73 -10.764 3.362 1.975 1.00 1.63 H new ATOM 1036 N MET A 74 -10.813 0.269 -1.889 1.00 1.45 N ATOM 1037 CA MET A 74 -11.277 -0.568 -2.990 1.00 1.60 C ATOM 1038 C MET A 74 -12.793 -0.731 -2.948 1.00 1.65 C ATOM 1039 O MET A 74 -13.444 -0.851 -3.987 1.00 1.81 O ATOM 1040 CB MET A 74 -10.603 -1.941 -2.929 1.00 1.70 C ATOM 1041 CG MET A 74 -10.982 -2.861 -4.078 1.00 2.32 C ATOM 1042 SD MET A 74 -10.321 -4.527 -3.874 1.00 3.10 S ATOM 1043 CE MET A 74 -10.858 -5.295 -5.399 1.00 3.79 C ATOM 0 H MET A 74 -10.169 -0.197 -1.250 1.00 1.45 H new ATOM 0 HA MET A 74 -11.009 -0.078 -3.926 1.00 1.60 H new ATOM 0 HB2 MET A 74 -9.522 -1.805 -2.926 1.00 1.70 H new ATOM 0 HB3 MET A 74 -10.866 -2.423 -1.988 1.00 1.70 H new ATOM 0 HG2 MET A 74 -12.068 -2.911 -4.156 1.00 2.32 H new ATOM 0 HG3 MET A 74 -10.614 -2.439 -5.014 1.00 2.32 H new ATOM 0 HE1 MET A 74 -10.524 -6.332 -5.421 1.00 3.79 H new ATOM 0 HE2 MET A 74 -11.946 -5.263 -5.459 1.00 3.79 H new ATOM 0 HE3 MET A 74 -10.432 -4.758 -6.246 1.00 3.79 H new ATOM 1053 N THR A 75 -13.347 -0.731 -1.741 1.00 1.57 N ATOM 1054 CA THR A 75 -14.785 -0.880 -1.556 1.00 1.67 C ATOM 1055 C THR A 75 -15.543 0.275 -2.199 1.00 1.56 C ATOM 1056 O THR A 75 -16.541 0.070 -2.891 1.00 1.74 O ATOM 1057 CB THR A 75 -15.151 -0.943 -0.062 1.00 1.89 C ATOM 1058 OG1 THR A 75 -14.923 0.331 0.552 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.330 -2.002 0.653 1.00 2.00 C ATOM 0 H THR A 75 -12.820 -0.629 -0.874 1.00 1.57 H new ATOM 0 HA THR A 75 -15.072 -1.815 -2.037 1.00 1.67 H new ATOM 0 HB THR A 75 -16.206 -1.205 0.018 1.00 1.89 H new ATOM 0 HG1 THR A 75 -13.975 0.568 0.472 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.607 -2.027 1.707 1.00 2.00 H new ATOM 0 HG22 THR A 75 -14.523 -2.976 0.204 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.270 -1.764 0.562 1.00 2.00 H new ATOM 1064 N GLY A 76 -15.059 1.490 -1.963 1.00 1.40 N ATOM 1065 CA GLY A 76 -15.698 2.668 -2.515 1.00 1.47 C ATOM 1066 C GLY A 76 -15.836 3.770 -1.486 1.00 1.35 C ATOM 1067 O GLY A 76 -16.127 4.917 -1.826 1.00 1.39 O ATOM 0 H GLY A 76 -14.232 1.679 -1.397 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -15.117 3.033 -3.362 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -16.684 2.401 -2.896 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.627 3.415 -0.221 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.722 4.375 0.872 1.00 1.22 C ATOM 1073 C GLU A 77 -14.376 5.045 1.121 1.00 1.12 C ATOM 1074 O GLU A 77 -13.368 4.372 1.343 1.00 1.11 O ATOM 1075 CB GLU A 77 -16.198 3.682 2.149 1.00 1.28 C ATOM 1076 CG GLU A 77 -16.293 4.616 3.346 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.736 3.903 4.608 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -17.961 3.742 4.799 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -15.862 3.506 5.404 1.00 1.94 O ATOM 0 H GLU A 77 -15.390 2.467 0.072 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.446 5.139 0.589 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -17.176 3.235 1.968 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -15.515 2.867 2.387 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.322 5.081 3.517 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.995 5.419 3.121 1.00 1.30 H new ATOM 1086 N LYS A 78 -14.368 6.372 1.085 1.00 1.12 N ATOM 1087 CA LYS A 78 -13.150 7.135 1.314 1.00 1.06 C ATOM 1088 C LYS A 78 -12.904 7.356 2.805 1.00 0.97 C ATOM 1089 O LYS A 78 -13.838 7.577 3.576 1.00 1.03 O ATOM 1090 CB LYS A 78 -13.203 8.478 0.574 1.00 1.19 C ATOM 1091 CG LYS A 78 -14.609 9.016 0.348 1.00 1.29 C ATOM 1092 CD LYS A 78 -15.363 9.182 1.655 1.00 1.78 C ATOM 1093 CE LYS A 78 -16.792 9.649 1.422 1.00 2.39 C ATOM 1094 NZ LYS A 78 -17.508 8.787 0.440 1.00 2.94 N ATOM 0 H LYS A 78 -15.193 6.942 0.899 1.00 1.12 H new ATOM 0 HA LYS A 78 -12.317 6.554 0.919 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -12.632 9.214 1.140 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -12.710 8.367 -0.392 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -14.553 9.976 -0.165 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.158 8.338 -0.305 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -15.373 8.234 2.193 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.843 9.902 2.287 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -17.333 9.647 2.368 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -16.783 10.678 1.062 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -18.512 8.723 0.702 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -17.424 9.200 -0.511 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -17.088 7.836 0.442 1.00 2.94 H new ATOM 1108 N VAL A 79 -11.639 7.277 3.204 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.258 7.467 4.600 1.00 0.86 C ATOM 1110 C VAL A 79 -10.118 8.470 4.724 1.00 0.81 C ATOM 1111 O VAL A 79 -9.398 8.727 3.761 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.829 6.140 5.254 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -12.006 5.183 5.348 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.682 5.509 4.479 1.00 1.05 C ATOM 0 H VAL A 79 -10.857 7.082 2.578 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.138 7.850 5.118 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.482 6.352 6.265 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.682 4.252 5.813 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.794 5.634 5.951 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.387 4.976 4.348 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.392 4.573 4.956 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.000 5.312 3.455 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.831 6.190 4.470 1.00 1.05 H new ATOM 1118 N LYS A 80 -9.960 9.035 5.917 1.00 0.79 N ATOM 1119 CA LYS A 80 -8.904 10.010 6.165 1.00 0.76 C ATOM 1120 C LYS A 80 -7.662 9.339 6.741 1.00 0.68 C ATOM 1121 O LYS A 80 -7.740 8.590 7.715 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.399 11.102 7.116 1.00 0.84 C ATOM 1123 CG LYS A 80 -9.927 10.571 8.439 1.00 1.48 C ATOM 1124 CD LYS A 80 -10.319 11.702 9.380 1.00 1.82 C ATOM 1125 CE LYS A 80 -11.468 12.526 8.823 1.00 2.54 C ATOM 1126 NZ LYS A 80 -12.690 11.702 8.610 1.00 3.13 N ATOM 0 H LYS A 80 -10.549 8.835 6.726 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.636 10.464 5.211 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -8.582 11.796 7.314 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -10.188 11.670 6.623 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.791 9.932 8.257 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -9.166 9.950 8.912 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -10.604 11.288 10.347 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -9.458 12.348 9.551 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -11.695 13.342 9.509 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -11.166 12.978 7.878 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -13.508 12.326 8.460 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -12.559 11.096 7.775 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -12.858 11.107 9.446 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.517 9.613 6.125 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.251 9.045 6.572 1.00 0.62 C ATOM 1142 C ALA A 81 -4.113 10.039 6.383 1.00 0.58 C ATOM 1143 O ALA A 81 -4.073 10.767 5.392 1.00 0.60 O ATOM 1144 CB ALA A 81 -4.956 7.758 5.818 1.00 0.69 C ATOM 0 H ALA A 81 -6.440 10.226 5.313 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.335 8.820 7.635 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.008 7.344 6.161 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.754 7.038 6.001 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.895 7.968 4.750 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.190 10.063 7.337 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.051 10.966 7.272 1.00 0.56 C ATOM 1152 C VAL A 82 -0.743 10.195 7.115 1.00 0.50 C ATOM 1153 O VAL A 82 -0.360 9.408 7.983 1.00 0.48 O ATOM 1154 CB VAL A 82 -1.972 11.870 8.522 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -1.971 11.037 9.795 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -0.745 12.768 8.460 1.00 1.34 C ATOM 0 H VAL A 82 -3.209 9.467 8.164 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.197 11.597 6.395 1.00 0.56 H new ATOM 0 HB VAL A 82 -2.857 12.506 8.537 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -1.915 11.696 10.661 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -2.887 10.449 9.846 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.110 10.368 9.792 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -0.709 13.396 9.350 1.00 1.34 H new ATOM 0 HG22 VAL A 82 0.154 12.153 8.413 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -0.800 13.399 7.573 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.073 10.418 5.991 1.00 0.50 N ATOM 1161 CA VAL A 83 1.196 9.762 5.708 1.00 0.47 C ATOM 1162 C VAL A 83 2.346 10.761 5.785 1.00 0.45 C ATOM 1163 O VAL A 83 2.351 11.775 5.088 1.00 0.53 O ATOM 1164 CB VAL A 83 1.182 9.090 4.320 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.722 10.072 3.253 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.554 8.525 3.979 1.00 1.11 C ATOM 0 H VAL A 83 -0.390 11.052 5.257 1.00 0.50 H new ATOM 0 HA VAL A 83 1.342 8.990 6.463 1.00 0.47 H new ATOM 0 HB VAL A 83 0.473 8.262 4.350 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.719 9.578 2.281 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.285 10.418 3.487 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.402 10.924 3.225 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.520 8.056 2.996 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.288 9.331 3.971 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.838 7.783 4.725 1.00 1.11 H new ATOM 1170 N LYS A 84 3.319 10.470 6.642 1.00 0.41 N ATOM 1171 CA LYS A 84 4.472 11.348 6.816 1.00 0.43 C ATOM 1172 C LYS A 84 5.775 10.563 6.726 1.00 0.42 C ATOM 1173 O LYS A 84 5.819 9.376 7.046 1.00 0.44 O ATOM 1174 CB LYS A 84 4.406 12.050 8.171 1.00 0.48 C ATOM 1175 CG LYS A 84 3.033 12.618 8.503 1.00 0.78 C ATOM 1176 CD LYS A 84 3.008 13.246 9.889 1.00 0.91 C ATOM 1177 CE LYS A 84 3.929 14.453 9.974 1.00 1.51 C ATOM 1178 NZ LYS A 84 3.925 15.061 11.335 1.00 2.11 N ATOM 0 H LYS A 84 3.333 9.634 7.227 1.00 0.41 H new ATOM 0 HA LYS A 84 4.447 12.089 6.017 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.695 11.344 8.950 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.137 12.859 8.187 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.758 13.366 7.759 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.287 11.825 8.449 1.00 0.78 H new ATOM 0 HD2 LYS A 84 1.989 13.547 10.134 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.309 12.505 10.630 1.00 0.91 H new ATOM 0 HE2 LYS A 84 4.944 14.154 9.713 1.00 1.51 H new ATOM 0 HE3 LYS A 84 3.618 15.199 9.242 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 4.565 15.881 11.351 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 2.961 15.370 11.574 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 4.246 14.357 12.030 1.00 2.11 H new ATOM 1192 N MET A 85 6.833 11.236 6.292 1.00 0.48 N ATOM 1193 CA MET A 85 8.139 10.603 6.176 1.00 0.52 C ATOM 1194 C MET A 85 8.943 10.806 7.457 1.00 0.57 C ATOM 1195 O MET A 85 8.859 11.859 8.088 1.00 0.67 O ATOM 1196 CB MET A 85 8.905 11.163 4.973 1.00 0.68 C ATOM 1197 CG MET A 85 9.340 12.613 5.134 1.00 1.26 C ATOM 1198 SD MET A 85 7.964 13.775 5.037 1.00 1.83 S ATOM 1199 CE MET A 85 8.815 15.331 5.297 1.00 2.62 C ATOM 0 H MET A 85 6.812 12.218 6.015 1.00 0.48 H new ATOM 0 HA MET A 85 7.990 9.534 6.023 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.787 10.547 4.799 1.00 0.68 H new ATOM 0 HB3 MET A 85 8.278 11.079 4.085 1.00 0.68 H new ATOM 0 HG2 MET A 85 9.842 12.732 6.094 1.00 1.26 H new ATOM 0 HG3 MET A 85 10.069 12.856 4.361 1.00 1.26 H new ATOM 0 HE1 MET A 85 8.095 16.149 5.265 1.00 2.62 H new ATOM 0 HE2 MET A 85 9.307 15.319 6.270 1.00 2.62 H new ATOM 0 HE3 MET A 85 9.561 15.473 4.515 1.00 2.62 H new ATOM 1209 N GLU A 86 9.714 9.794 7.840 1.00 0.60 N ATOM 1210 CA GLU A 86 10.523 9.876 9.051 1.00 0.73 C ATOM 1211 C GLU A 86 11.979 10.173 8.721 1.00 0.84 C ATOM 1212 O GLU A 86 12.733 10.656 9.565 1.00 1.00 O ATOM 1213 CB GLU A 86 10.415 8.581 9.860 1.00 0.77 C ATOM 1214 CG GLU A 86 11.116 8.647 11.207 1.00 1.07 C ATOM 1215 CD GLU A 86 10.607 9.781 12.078 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.612 9.574 12.802 1.00 1.48 O ATOM 1217 OE2 GLU A 86 11.208 10.875 12.035 1.00 2.06 O ATOM 0 H GLU A 86 9.796 8.913 7.333 1.00 0.60 H new ATOM 0 HA GLU A 86 10.138 10.698 9.654 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.362 8.348 10.018 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.839 7.762 9.279 1.00 0.77 H new ATOM 0 HG2 GLU A 86 10.977 7.701 11.731 1.00 1.07 H new ATOM 0 HG3 GLU A 86 12.188 8.769 11.049 1.00 1.07 H new ATOM 1224 N GLY A 87 12.368 9.884 7.487 1.00 0.80 N ATOM 1225 CA GLY A 87 13.735 10.137 7.070 1.00 0.95 C ATOM 1226 C GLY A 87 14.297 9.072 6.148 1.00 0.81 C ATOM 1227 O GLY A 87 13.966 9.032 4.962 1.00 1.62 O ATOM 0 H GLY A 87 11.766 9.481 6.769 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.779 11.102 6.565 1.00 0.95 H new ATOM 0 HA3 GLY A 87 14.368 10.210 7.954 1.00 0.95 H new ATOM 1231 N ASP A 88 15.148 8.211 6.695 1.00 0.89 N ATOM 1232 CA ASP A 88 15.781 7.157 5.914 1.00 1.05 C ATOM 1233 C ASP A 88 15.190 5.791 6.230 1.00 0.98 C ATOM 1234 O ASP A 88 15.224 5.342 7.374 1.00 1.56 O ATOM 1235 CB ASP A 88 17.281 7.122 6.198 1.00 1.46 C ATOM 1236 CG ASP A 88 18.052 6.348 5.148 1.00 2.14 C ATOM 1237 OD1 ASP A 88 18.109 6.812 3.990 1.00 2.84 O ATOM 1238 OD2 ASP A 88 18.595 5.274 5.481 1.00 2.57 O ATOM 0 H ASP A 88 15.415 8.223 7.679 1.00 0.89 H new ATOM 0 HA ASP A 88 15.601 7.380 4.862 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.662 8.142 6.246 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.452 6.671 7.176 1.00 1.46 H new ATOM 1243 N ASN A 89 14.658 5.137 5.206 1.00 0.54 N ATOM 1244 CA ASN A 89 14.084 3.806 5.355 1.00 0.51 C ATOM 1245 C ASN A 89 12.962 3.772 6.385 1.00 0.46 C ATOM 1246 O ASN A 89 12.544 2.697 6.795 1.00 0.55 O ATOM 1247 CB ASN A 89 15.168 2.799 5.767 1.00 0.61 C ATOM 1248 CG ASN A 89 16.552 3.139 5.233 1.00 1.42 C ATOM 1249 OD1 ASN A 89 16.612 3.806 4.086 1.00 2.19 O flip ATOM 1250 ND2 ASN A 89 17.562 2.803 5.853 1.00 2.22 N flip ATOM 0 H ASN A 89 14.612 5.509 4.258 1.00 0.54 H new ATOM 0 HA ASN A 89 13.666 3.535 4.386 1.00 0.51 H new ATOM 0 HB2 ASN A 89 15.210 2.748 6.855 1.00 0.61 H new ATOM 0 HB3 ASN A 89 14.885 1.808 5.413 1.00 0.61 H new ATOM 0 HD21 ASN A 89 17.475 2.291 6.731 1.00 2.22 H new ATOM 0 HD22 ASN A 89 18.486 3.036 5.488 1.00 2.22 H new ATOM 1255 N LYS A 90 12.457 4.928 6.796 1.00 0.46 N ATOM 1256 CA LYS A 90 11.397 4.953 7.801 1.00 0.49 C ATOM 1257 C LYS A 90 10.272 5.920 7.438 1.00 0.46 C ATOM 1258 O LYS A 90 10.506 7.097 7.168 1.00 0.53 O ATOM 1259 CB LYS A 90 11.984 5.325 9.162 1.00 0.70 C ATOM 1260 CG LYS A 90 13.171 4.478 9.570 1.00 0.64 C ATOM 1261 CD LYS A 90 12.823 3.006 9.672 1.00 1.25 C ATOM 1262 CE LYS A 90 13.232 2.423 11.016 1.00 1.43 C ATOM 1263 NZ LYS A 90 12.951 0.964 11.098 1.00 2.05 N ATOM 0 H LYS A 90 12.755 5.844 6.459 1.00 0.46 H new ATOM 0 HA LYS A 90 10.963 3.954 7.842 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.287 6.372 9.142 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.206 5.232 9.920 1.00 0.70 H new ATOM 0 HG2 LYS A 90 13.974 4.609 8.845 1.00 0.64 H new ATOM 0 HG3 LYS A 90 13.549 4.827 10.531 1.00 0.64 H new ATOM 0 HD2 LYS A 90 11.750 2.875 9.530 1.00 1.25 H new ATOM 0 HD3 LYS A 90 13.320 2.458 8.871 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.296 2.597 11.178 1.00 1.43 H new ATOM 0 HE3 LYS A 90 12.699 2.941 11.813 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 13.244 0.606 12.029 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 11.932 0.799 10.969 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 13.480 0.466 10.353 1.00 2.05 H new ATOM 1277 N MET A 91 9.048 5.396 7.428 1.00 0.42 N ATOM 1278 CA MET A 91 7.861 6.191 7.131 1.00 0.45 C ATOM 1279 C MET A 91 6.700 5.756 8.019 1.00 0.42 C ATOM 1280 O MET A 91 6.412 4.564 8.137 1.00 0.46 O ATOM 1281 CB MET A 91 7.479 6.062 5.657 1.00 0.49 C ATOM 1282 CG MET A 91 8.384 6.854 4.730 1.00 1.03 C ATOM 1283 SD MET A 91 7.760 6.929 3.041 1.00 1.51 S ATOM 1284 CE MET A 91 8.879 8.129 2.326 1.00 1.96 C ATOM 0 H MET A 91 8.853 4.414 7.624 1.00 0.42 H new ATOM 0 HA MET A 91 8.087 7.237 7.336 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.509 5.010 5.372 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.451 6.399 5.525 1.00 0.49 H new ATOM 0 HG2 MET A 91 8.495 7.867 5.117 1.00 1.03 H new ATOM 0 HG3 MET A 91 9.376 6.403 4.726 1.00 1.03 H new ATOM 0 HE1 MET A 91 8.623 8.286 1.278 1.00 1.96 H new ATOM 0 HE2 MET A 91 8.794 9.072 2.866 1.00 1.96 H new ATOM 0 HE3 MET A 91 9.902 7.760 2.398 1.00 1.96 H new ATOM 1294 N VAL A 92 6.031 6.723 8.642 1.00 0.40 N ATOM 1295 CA VAL A 92 4.914 6.421 9.530 1.00 0.39 C ATOM 1296 C VAL A 92 3.588 6.949 8.984 1.00 0.38 C ATOM 1297 O VAL A 92 3.420 8.149 8.768 1.00 0.42 O ATOM 1298 CB VAL A 92 5.152 6.997 10.942 1.00 0.45 C ATOM 1299 CG1 VAL A 92 5.470 8.484 10.876 1.00 1.46 C ATOM 1300 CG2 VAL A 92 3.948 6.741 11.838 1.00 1.45 C ATOM 0 H VAL A 92 6.242 7.717 8.549 1.00 0.40 H new ATOM 0 HA VAL A 92 4.853 5.334 9.590 1.00 0.39 H new ATOM 0 HB VAL A 92 6.013 6.487 11.374 1.00 0.45 H new ATOM 0 HG11 VAL A 92 5.634 8.866 11.884 1.00 1.46 H new ATOM 0 HG12 VAL A 92 6.369 8.638 10.279 1.00 1.46 H new ATOM 0 HG13 VAL A 92 4.635 9.015 10.418 1.00 1.46 H new ATOM 0 HG21 VAL A 92 4.137 7.155 12.828 1.00 1.45 H new ATOM 0 HG22 VAL A 92 3.067 7.217 11.408 1.00 1.45 H new ATOM 0 HG23 VAL A 92 3.777 5.668 11.920 1.00 1.45 H new ATOM 1304 N THR A 93 2.653 6.030 8.753 1.00 0.37 N ATOM 1305 CA THR A 93 1.329 6.382 8.252 1.00 0.40 C ATOM 1306 C THR A 93 0.248 5.652 9.047 1.00 0.41 C ATOM 1307 O THR A 93 0.290 4.428 9.184 1.00 0.44 O ATOM 1308 CB THR A 93 1.185 6.046 6.755 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.173 6.225 6.339 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.624 4.618 6.470 1.00 0.47 C ATOM 0 H THR A 93 2.790 5.031 8.906 1.00 0.37 H new ATOM 0 HA THR A 93 1.207 7.458 8.376 1.00 0.40 H new ATOM 0 HB THR A 93 1.829 6.723 6.194 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.226 6.167 5.362 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.512 4.408 5.406 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.669 4.495 6.756 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.007 3.926 7.043 1.00 0.47 H new ATOM 1315 N THR A 94 -0.717 6.403 9.574 1.00 0.42 N ATOM 1316 CA THR A 94 -1.793 5.810 10.364 1.00 0.46 C ATOM 1317 C THR A 94 -3.169 6.194 9.823 1.00 0.51 C ATOM 1318 O THR A 94 -3.407 7.348 9.465 1.00 0.57 O ATOM 1319 CB THR A 94 -1.701 6.240 11.841 1.00 0.52 C ATOM 1320 OG1 THR A 94 -0.401 5.938 12.359 1.00 1.23 O ATOM 1321 CG2 THR A 94 -2.758 5.534 12.678 1.00 1.12 C ATOM 0 H THR A 94 -0.776 7.416 9.469 1.00 0.42 H new ATOM 0 HA THR A 94 -1.672 4.729 10.291 1.00 0.46 H new ATOM 0 HB THR A 94 -1.874 7.315 11.894 1.00 0.52 H new ATOM 0 HG1 THR A 94 -0.295 6.355 13.239 1.00 1.23 H new ATOM 0 HG21 THR A 94 -2.673 5.854 13.717 1.00 1.12 H new ATOM 0 HG22 THR A 94 -3.749 5.786 12.301 1.00 1.12 H new ATOM 0 HG23 THR A 94 -2.610 4.456 12.617 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.070 5.215 9.769 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.428 5.448 9.282 1.00 0.61 C ATOM 1328 C PHE A 95 -6.451 4.711 10.145 1.00 0.67 C ATOM 1329 O PHE A 95 -6.314 3.515 10.402 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.556 5.012 7.818 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.302 3.549 7.590 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -4.015 3.037 7.648 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.349 2.687 7.312 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.779 1.694 7.434 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -6.120 1.342 7.098 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.832 0.844 7.159 1.00 0.96 C ATOM 0 H PHE A 95 -3.884 4.254 10.056 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.631 6.517 9.348 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.558 5.256 7.464 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.855 5.590 7.215 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -3.187 3.697 7.863 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.357 3.071 7.262 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.771 1.308 7.482 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.946 0.680 6.883 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.650 -0.207 6.992 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.472 5.439 10.591 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.528 4.872 11.428 1.00 0.83 C ATOM 1348 C LYS A 96 -7.965 4.324 12.738 1.00 0.85 C ATOM 1349 O LYS A 96 -7.929 5.027 13.749 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.278 3.767 10.675 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.912 4.236 9.376 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.580 3.089 8.633 1.00 1.53 C ATOM 1353 CE LYS A 96 -11.804 2.575 9.376 1.00 1.76 C ATOM 1354 NZ LYS A 96 -12.884 3.600 9.450 1.00 2.52 N ATOM 0 H LYS A 96 -7.591 6.431 10.385 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.226 5.674 11.667 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.586 2.953 10.458 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -10.055 3.361 11.323 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.649 5.010 9.589 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -9.150 4.687 8.741 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.872 3.422 7.637 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -9.866 2.276 8.501 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -12.184 1.684 8.876 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -11.517 2.277 10.385 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.776 3.144 9.729 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -12.629 4.322 10.154 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -13.001 4.049 8.519 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.527 3.067 12.716 1.00 0.78 N ATOM 1369 CA GLY A 97 -6.973 2.452 13.909 1.00 0.80 C ATOM 1370 C GLY A 97 -5.958 1.373 13.587 1.00 0.70 C ATOM 1371 O GLY A 97 -5.690 0.494 14.407 1.00 0.83 O ATOM 0 H GLY A 97 -7.546 2.464 11.893 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.501 3.219 14.524 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.781 2.022 14.501 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.394 1.442 12.387 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.401 0.470 11.944 1.00 0.50 C ATOM 1377 C ILE A 98 -3.021 1.113 11.853 1.00 0.45 C ATOM 1378 O ILE A 98 -2.885 2.246 11.391 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.781 -0.136 10.578 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.116 -0.879 10.685 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.686 -1.071 10.084 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.682 -1.319 9.351 1.00 1.45 C ATOM 0 H ILE A 98 -5.609 2.165 11.700 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.375 -0.331 12.683 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.889 0.673 9.855 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -5.983 -1.756 11.319 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.841 -0.234 11.181 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.972 -1.489 9.119 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.754 -0.516 9.977 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.546 -1.879 10.802 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.627 -1.838 9.510 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -6.849 -0.446 8.721 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -5.978 -1.991 8.861 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.002 0.384 12.295 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.635 0.895 12.267 1.00 0.39 C ATOM 1388 C LYS A 99 0.090 0.424 11.017 1.00 0.37 C ATOM 1389 O LYS A 99 0.264 -0.778 10.802 1.00 0.40 O ATOM 1390 CB LYS A 99 0.134 0.429 13.504 1.00 0.42 C ATOM 1391 CG LYS A 99 1.154 1.438 14.008 1.00 0.95 C ATOM 1392 CD LYS A 99 0.482 2.692 14.543 1.00 1.46 C ATOM 1393 CE LYS A 99 1.497 3.650 15.146 1.00 2.05 C ATOM 1394 NZ LYS A 99 0.850 4.884 15.671 1.00 2.71 N ATOM 0 H LYS A 99 -2.095 -0.558 12.675 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.684 1.984 12.261 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.576 0.214 14.303 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.645 -0.505 13.272 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.758 0.984 14.794 1.00 0.95 H new ATOM 0 HG3 LYS A 99 1.833 1.705 13.198 1.00 0.95 H new ATOM 0 HD2 LYS A 99 -0.057 3.190 13.737 1.00 1.46 H new ATOM 0 HD3 LYS A 99 -0.255 2.418 15.298 1.00 1.46 H new ATOM 0 HE2 LYS A 99 2.034 3.150 15.952 1.00 2.05 H new ATOM 0 HE3 LYS A 99 2.235 3.920 14.391 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 1.575 5.512 16.074 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 0.359 5.375 14.897 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 0.164 4.629 16.410 1.00 2.71 H new ATOM 1408 N SER A 100 0.509 1.374 10.193 1.00 0.36 N ATOM 1409 CA SER A 100 1.220 1.054 8.967 1.00 0.36 C ATOM 1410 C SER A 100 2.595 1.712 8.948 1.00 0.34 C ATOM 1411 O SER A 100 2.710 2.935 9.023 1.00 0.34 O ATOM 1412 CB SER A 100 0.410 1.499 7.748 1.00 0.40 C ATOM 1413 OG SER A 100 1.104 1.224 6.544 1.00 1.23 O ATOM 0 H SER A 100 0.368 2.372 10.353 1.00 0.36 H new ATOM 0 HA SER A 100 1.354 -0.027 8.927 1.00 0.36 H new ATOM 0 HB2 SER A 100 -0.552 0.987 7.741 1.00 0.40 H new ATOM 0 HB3 SER A 100 0.203 2.567 7.816 1.00 0.40 H new ATOM 0 HG SER A 100 0.563 1.517 5.781 1.00 1.23 H new ATOM 1419 N VAL A 101 3.635 0.890 8.849 1.00 0.34 N ATOM 1420 CA VAL A 101 5.002 1.391 8.809 1.00 0.33 C ATOM 1421 C VAL A 101 5.713 0.897 7.557 1.00 0.33 C ATOM 1422 O VAL A 101 5.822 -0.308 7.327 1.00 0.36 O ATOM 1423 CB VAL A 101 5.802 0.955 10.052 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.209 1.535 10.016 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.079 1.368 11.324 1.00 0.59 C ATOM 0 H VAL A 101 3.556 -0.126 8.795 1.00 0.34 H new ATOM 0 HA VAL A 101 4.948 2.480 8.796 1.00 0.33 H new ATOM 0 HB VAL A 101 5.884 -0.132 10.044 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.757 1.215 10.902 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.725 1.182 9.123 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.153 2.623 9.997 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.659 1.052 12.191 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.963 2.452 11.341 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.096 0.897 11.353 1.00 0.59 H new ATOM 1429 N THR A 102 6.199 1.835 6.753 1.00 0.35 N ATOM 1430 CA THR A 102 6.891 1.497 5.519 1.00 0.40 C ATOM 1431 C THR A 102 8.358 1.903 5.568 1.00 0.37 C ATOM 1432 O THR A 102 8.688 3.039 5.910 1.00 0.39 O ATOM 1433 CB THR A 102 6.225 2.174 4.306 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.834 1.834 4.257 1.00 0.55 O ATOM 1435 CG2 THR A 102 6.898 1.748 3.008 1.00 0.59 C ATOM 0 H THR A 102 6.126 2.836 6.935 1.00 0.35 H new ATOM 0 HA THR A 102 6.827 0.414 5.412 1.00 0.40 H new ATOM 0 HB THR A 102 6.334 3.253 4.418 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.661 1.279 3.468 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.410 2.240 2.167 1.00 0.59 H new ATOM 0 HG22 THR A 102 7.950 2.032 3.033 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.817 0.667 2.894 1.00 0.59 H new ATOM 1440 N GLU A 103 9.234 0.966 5.222 1.00 0.37 N ATOM 1441 CA GLU A 103 10.666 1.231 5.192 1.00 0.38 C ATOM 1442 C GLU A 103 11.073 1.587 3.769 1.00 0.41 C ATOM 1443 O GLU A 103 10.883 0.792 2.848 1.00 0.47 O ATOM 1444 CB GLU A 103 11.448 0.013 5.695 1.00 0.43 C ATOM 1445 CG GLU A 103 12.950 0.102 5.472 1.00 1.12 C ATOM 1446 CD GLU A 103 13.640 -1.239 5.624 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.592 -2.042 4.670 1.00 2.10 O ATOM 1448 OE2 GLU A 103 14.231 -1.485 6.697 1.00 2.08 O ATOM 0 H GLU A 103 8.976 0.015 4.958 1.00 0.37 H new ATOM 0 HA GLU A 103 10.897 2.067 5.852 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.257 -0.113 6.761 1.00 0.43 H new ATOM 0 HB3 GLU A 103 11.070 -0.879 5.196 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.143 0.495 4.474 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.378 0.810 6.182 1.00 1.12 H new ATOM 1455 N PHE A 104 11.630 2.781 3.587 1.00 0.43 N ATOM 1456 CA PHE A 104 12.003 3.235 2.251 1.00 0.49 C ATOM 1457 C PHE A 104 13.483 3.038 1.939 1.00 0.52 C ATOM 1458 O PHE A 104 14.351 3.677 2.534 1.00 0.62 O ATOM 1459 CB PHE A 104 11.648 4.713 2.105 1.00 0.64 C ATOM 1460 CG PHE A 104 11.040 5.046 0.780 1.00 0.56 C ATOM 1461 CD1 PHE A 104 11.833 5.187 -0.345 1.00 0.69 C ATOM 1462 CD2 PHE A 104 9.673 5.215 0.659 1.00 0.61 C ATOM 1463 CE1 PHE A 104 11.272 5.489 -1.569 1.00 0.78 C ATOM 1464 CE2 PHE A 104 9.104 5.516 -0.559 1.00 0.79 C ATOM 1465 CZ PHE A 104 9.904 5.656 -1.677 1.00 0.83 C ATOM 0 H PHE A 104 11.831 3.443 4.336 1.00 0.43 H new ATOM 0 HA PHE A 104 11.446 2.625 1.540 1.00 0.49 H new ATOM 0 HB2 PHE A 104 10.953 4.993 2.897 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.548 5.312 2.245 1.00 0.64 H new ATOM 0 HD1 PHE A 104 12.902 5.059 -0.264 1.00 0.69 H new ATOM 0 HD2 PHE A 104 9.043 5.110 1.530 1.00 0.61 H new ATOM 0 HE1 PHE A 104 11.900 5.595 -2.441 1.00 0.78 H new ATOM 0 HE2 PHE A 104 8.034 5.642 -0.640 1.00 0.79 H new ATOM 0 HZ PHE A 104 9.462 5.895 -2.633 1.00 0.83 H new ATOM 1475 N ASN A 105 13.750 2.185 0.953 1.00 0.53 N ATOM 1476 CA ASN A 105 15.111 1.911 0.511 1.00 0.62 C ATOM 1477 C ASN A 105 15.220 2.136 -0.992 1.00 0.67 C ATOM 1478 O ASN A 105 14.232 2.009 -1.716 1.00 0.81 O ATOM 1479 CB ASN A 105 15.522 0.477 0.851 1.00 0.69 C ATOM 1480 CG ASN A 105 15.324 0.137 2.315 1.00 1.24 C ATOM 1481 OD1 ASN A 105 15.482 1.127 3.184 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 15.034 -1.008 2.662 1.00 1.53 N flip ATOM 0 H ASN A 105 13.034 1.669 0.442 1.00 0.53 H new ATOM 0 HA ASN A 105 15.783 2.592 1.033 1.00 0.62 H new ATOM 0 HB2 ASN A 105 14.942 -0.216 0.241 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.570 0.333 0.588 1.00 0.69 H new ATOM 0 HD21 ASN A 105 14.922 -1.740 1.961 1.00 1.53 H new ATOM 0 HD22 ASN A 105 14.906 -1.224 3.651 1.00 1.53 H new ATOM 1487 N GLY A 106 16.416 2.469 -1.458 1.00 0.78 N ATOM 1488 CA GLY A 106 16.611 2.700 -2.877 1.00 0.82 C ATOM 1489 C GLY A 106 16.781 1.410 -3.659 1.00 0.94 C ATOM 1490 O GLY A 106 17.314 1.417 -4.769 1.00 1.44 O ATOM 0 H GLY A 106 17.251 2.583 -0.883 1.00 0.78 H new ATOM 0 HA2 GLY A 106 15.758 3.251 -3.273 1.00 0.82 H new ATOM 0 HA3 GLY A 106 17.490 3.327 -3.022 1.00 0.82 H new ATOM 1494 N ASP A 107 16.326 0.297 -3.082 1.00 0.74 N ATOM 1495 CA ASP A 107 16.441 -1.003 -3.736 1.00 0.93 C ATOM 1496 C ASP A 107 15.284 -1.929 -3.357 1.00 0.75 C ATOM 1497 O ASP A 107 14.825 -2.722 -4.180 1.00 0.67 O ATOM 1498 CB ASP A 107 17.772 -1.663 -3.370 1.00 1.22 C ATOM 1499 CG ASP A 107 18.968 -0.852 -3.833 1.00 1.91 C ATOM 1500 OD1 ASP A 107 19.401 -1.040 -4.988 1.00 2.43 O ATOM 1501 OD2 ASP A 107 19.470 -0.030 -3.038 1.00 2.55 O ATOM 0 H ASP A 107 15.876 0.271 -2.167 1.00 0.74 H new ATOM 0 HA ASP A 107 16.401 -0.835 -4.812 1.00 0.93 H new ATOM 0 HB2 ASP A 107 17.823 -1.796 -2.289 1.00 1.22 H new ATOM 0 HB3 ASP A 107 17.816 -2.657 -3.816 1.00 1.22 H new ATOM 1506 N THR A 108 14.815 -1.828 -2.114 1.00 0.74 N ATOM 1507 CA THR A 108 13.722 -2.675 -1.644 1.00 0.63 C ATOM 1508 C THR A 108 12.758 -1.900 -0.750 1.00 0.59 C ATOM 1509 O THR A 108 13.162 -1.296 0.240 1.00 0.77 O ATOM 1510 CB THR A 108 14.252 -3.894 -0.867 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.162 -4.641 -1.684 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.106 -4.796 -0.430 1.00 1.53 C ATOM 0 H THR A 108 15.172 -1.172 -1.419 1.00 0.74 H new ATOM 0 HA THR A 108 13.190 -3.017 -2.532 1.00 0.63 H new ATOM 0 HB THR A 108 14.772 -3.532 0.020 1.00 0.75 H new ATOM 0 HG1 THR A 108 15.495 -5.413 -1.181 1.00 1.39 H new ATOM 0 HG21 THR A 108 13.504 -5.651 0.117 1.00 1.53 H new ATOM 0 HG22 THR A 108 12.428 -4.236 0.214 1.00 1.53 H new ATOM 0 HG23 THR A 108 12.564 -5.148 -1.308 1.00 1.53 H new ATOM 1517 N ILE A 109 11.479 -1.938 -1.101 1.00 0.45 N ATOM 1518 CA ILE A 109 10.451 -1.244 -0.332 1.00 0.44 C ATOM 1519 C ILE A 109 9.578 -2.235 0.433 1.00 0.37 C ATOM 1520 O ILE A 109 8.952 -3.111 -0.163 1.00 0.36 O ATOM 1521 CB ILE A 109 9.564 -0.379 -1.251 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.388 0.742 -1.895 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.384 0.195 -0.478 1.00 0.70 C ATOM 1524 CD1 ILE A 109 10.986 1.716 -0.900 1.00 1.54 C ATOM 0 H ILE A 109 11.127 -2.443 -1.915 1.00 0.45 H new ATOM 0 HA ILE A 109 10.959 -0.596 0.382 1.00 0.44 H new ATOM 0 HB ILE A 109 9.172 -1.015 -2.045 1.00 0.51 H new ATOM 0 HG12 ILE A 109 11.192 0.297 -2.481 1.00 0.72 H new ATOM 0 HG13 ILE A 109 9.754 1.292 -2.590 1.00 0.72 H new ATOM 0 HG21 ILE A 109 7.772 0.802 -1.146 1.00 0.70 H new ATOM 0 HG22 ILE A 109 7.783 -0.620 -0.074 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.752 0.814 0.340 1.00 0.70 H new ATOM 0 HD11 ILE A 109 11.554 2.478 -1.433 1.00 1.54 H new ATOM 0 HD12 ILE A 109 10.187 2.191 -0.330 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.648 1.180 -0.220 1.00 1.54 H new ATOM 1528 N THR A 110 9.537 -2.087 1.754 1.00 0.37 N ATOM 1529 CA THR A 110 8.743 -2.973 2.599 1.00 0.34 C ATOM 1530 C THR A 110 7.614 -2.218 3.295 1.00 0.32 C ATOM 1531 O THR A 110 7.807 -1.105 3.785 1.00 0.37 O ATOM 1532 CB THR A 110 9.616 -3.660 3.667 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.694 -4.362 3.037 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.793 -4.633 4.499 1.00 0.41 C ATOM 0 H THR A 110 10.044 -1.362 2.262 1.00 0.37 H new ATOM 0 HA THR A 110 8.315 -3.730 1.941 1.00 0.34 H new ATOM 0 HB THR A 110 10.015 -2.890 4.327 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.246 -4.795 3.721 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.432 -5.105 5.245 1.00 0.41 H new ATOM 0 HG22 THR A 110 7.988 -4.094 4.999 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.368 -5.398 3.849 1.00 0.41 H new ATOM 1539 N ASN A 111 6.436 -2.834 3.336 1.00 0.31 N ATOM 1540 CA ASN A 111 5.273 -2.231 3.978 1.00 0.33 C ATOM 1541 C ASN A 111 4.759 -3.128 5.099 1.00 0.31 C ATOM 1542 O ASN A 111 4.656 -4.342 4.931 1.00 0.32 O ATOM 1543 CB ASN A 111 4.166 -1.991 2.951 1.00 0.39 C ATOM 1544 CG ASN A 111 4.615 -1.091 1.817 1.00 1.15 C ATOM 1545 OD1 ASN A 111 4.463 0.128 1.879 1.00 1.89 O ATOM 1546 ND2 ASN A 111 5.173 -1.691 0.771 1.00 1.95 N ATOM 0 H ASN A 111 6.262 -3.754 2.931 1.00 0.31 H new ATOM 0 HA ASN A 111 5.572 -1.274 4.405 1.00 0.33 H new ATOM 0 HB2 ASN A 111 3.838 -2.948 2.544 1.00 0.39 H new ATOM 0 HB3 ASN A 111 3.305 -1.544 3.447 1.00 0.39 H new ATOM 0 HD21 ASN A 111 5.495 -1.137 -0.023 1.00 1.95 H new ATOM 0 HD22 ASN A 111 5.279 -2.705 0.762 1.00 1.95 H new ATOM 1551 N THR A 112 4.439 -2.529 6.245 1.00 0.31 N ATOM 1552 CA THR A 112 3.945 -3.292 7.385 1.00 0.30 C ATOM 1553 C THR A 112 2.552 -2.838 7.803 1.00 0.30 C ATOM 1554 O THR A 112 2.361 -1.698 8.217 1.00 0.32 O ATOM 1555 CB THR A 112 4.880 -3.161 8.602 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.248 -3.228 8.180 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.604 -4.262 9.613 1.00 0.57 C ATOM 0 H THR A 112 4.513 -1.525 6.406 1.00 0.31 H new ATOM 0 HA THR A 112 3.909 -4.332 7.061 1.00 0.30 H new ATOM 0 HB THR A 112 4.693 -2.197 9.074 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.515 -2.366 7.798 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.275 -4.151 10.464 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.571 -4.192 9.954 1.00 0.57 H new ATOM 0 HG23 THR A 112 4.768 -5.234 9.147 1.00 0.57 H new ATOM 1562 N MET A 113 1.583 -3.740 7.689 1.00 0.31 N ATOM 1563 CA MET A 113 0.210 -3.446 8.078 1.00 0.33 C ATOM 1564 C MET A 113 -0.276 -4.478 9.087 1.00 0.33 C ATOM 1565 O MET A 113 -0.308 -5.672 8.793 1.00 0.35 O ATOM 1566 CB MET A 113 -0.703 -3.436 6.850 1.00 0.36 C ATOM 1567 CG MET A 113 -0.260 -2.465 5.768 1.00 0.45 C ATOM 1568 SD MET A 113 -1.382 -2.439 4.357 1.00 0.55 S ATOM 1569 CE MET A 113 -0.569 -1.246 3.296 1.00 1.51 C ATOM 0 H MET A 113 1.725 -4.684 7.329 1.00 0.31 H new ATOM 0 HA MET A 113 0.180 -2.458 8.538 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.743 -4.441 6.430 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.715 -3.181 7.163 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.191 -1.463 6.191 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.739 -2.737 5.428 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.146 -1.122 2.380 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.497 -0.289 3.813 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.432 -1.601 3.049 1.00 1.51 H new ATOM 1579 N THR A 114 -0.658 -4.021 10.276 1.00 0.34 N ATOM 1580 CA THR A 114 -1.129 -4.932 11.312 1.00 0.35 C ATOM 1581 C THR A 114 -2.554 -4.609 11.745 1.00 0.39 C ATOM 1582 O THR A 114 -2.840 -3.505 12.208 1.00 0.43 O ATOM 1583 CB THR A 114 -0.208 -4.895 12.547 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.146 -5.161 12.160 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.650 -5.916 13.586 1.00 0.56 C ATOM 0 H THR A 114 -0.651 -3.037 10.543 1.00 0.34 H new ATOM 0 HA THR A 114 -1.112 -5.931 10.877 1.00 0.35 H new ATOM 0 HB THR A 114 -0.272 -3.900 12.987 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.724 -5.134 12.951 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.016 -5.870 14.448 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.669 -5.695 13.903 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.614 -6.915 13.152 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.440 -5.587 11.587 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.835 -5.431 11.970 1.00 0.50 C ATOM 1592 C LEU A 115 -5.393 -6.749 12.501 1.00 0.60 C ATOM 1593 O LEU A 115 -5.474 -7.738 11.773 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.668 -4.930 10.785 1.00 0.56 C ATOM 1595 CG LEU A 115 -5.646 -5.809 9.531 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -6.802 -5.447 8.613 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -4.322 -5.663 8.793 1.00 1.85 C ATOM 0 H LEU A 115 -3.213 -6.500 11.194 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.892 -4.688 12.765 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -6.702 -4.824 11.112 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.316 -3.935 10.514 1.00 0.56 H new ATOM 0 HG LEU A 115 -5.754 -6.849 9.840 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -6.774 -6.080 7.726 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.745 -5.600 9.138 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -6.717 -4.402 8.316 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -4.328 -6.296 7.906 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -4.184 -4.623 8.496 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -3.505 -5.965 9.448 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.771 -6.760 13.774 1.00 0.69 N ATOM 1604 CA GLY A 116 -6.311 -7.966 14.375 1.00 0.84 C ATOM 1605 C GLY A 116 -5.260 -9.044 14.560 1.00 0.93 C ATOM 1606 O GLY A 116 -5.495 -10.209 14.239 1.00 1.80 O ATOM 0 H GLY A 116 -5.714 -5.957 14.400 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.750 -7.721 15.342 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -7.116 -8.351 13.749 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.095 -8.647 15.072 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.988 -9.575 15.312 1.00 0.54 C ATOM 1612 C ASP A 117 -2.429 -10.136 14.003 1.00 0.50 C ATOM 1613 O ASP A 117 -1.530 -10.976 14.014 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.440 -10.721 16.225 1.00 0.61 C ATOM 1615 CG ASP A 117 -2.282 -11.574 16.703 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -1.621 -11.182 17.687 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -2.033 -12.634 16.091 1.00 2.14 O ATOM 0 H ASP A 117 -3.892 -7.681 15.331 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.192 -9.017 15.805 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -3.964 -10.309 17.088 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -4.152 -11.348 15.689 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.958 -9.660 12.880 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.505 -10.117 11.571 1.00 0.45 C ATOM 1624 C ILE A 118 -1.314 -9.299 11.085 1.00 0.38 C ATOM 1625 O ILE A 118 -1.284 -8.079 11.237 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.632 -10.028 10.526 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.926 -10.611 11.096 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -3.226 -10.758 9.253 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -6.118 -10.456 10.177 1.00 0.83 C ATOM 0 H ILE A 118 -3.699 -8.960 12.850 1.00 0.45 H new ATOM 0 HA ILE A 118 -2.205 -11.159 11.686 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.806 -8.980 10.280 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.776 -11.670 11.306 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -5.145 -10.125 12.047 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -4.031 -10.688 8.521 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -2.324 -10.303 8.845 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -3.032 -11.806 9.481 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.999 -10.892 10.647 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -6.295 -9.398 9.986 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.920 -10.966 9.234 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.329 -9.980 10.506 1.00 0.40 N ATOM 1634 CA VAL A 119 0.867 -9.315 10.002 1.00 0.36 C ATOM 1635 C VAL A 119 0.901 -9.317 8.478 1.00 0.35 C ATOM 1636 O VAL A 119 0.949 -10.372 7.849 1.00 0.38 O ATOM 1637 CB VAL A 119 2.150 -9.978 10.540 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.389 -9.289 9.985 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.161 -9.959 12.062 1.00 1.31 C ATOM 0 H VAL A 119 -0.336 -10.991 10.375 1.00 0.40 H new ATOM 0 HA VAL A 119 0.827 -8.285 10.356 1.00 0.36 H new ATOM 0 HB VAL A 119 2.163 -11.016 10.208 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.282 -9.774 10.379 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.388 -9.359 8.897 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.385 -8.240 10.281 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.074 -10.431 12.425 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.121 -8.928 12.413 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.296 -10.504 12.439 1.00 1.31 H new ATOM 1643 N TYR A 120 0.880 -8.123 7.893 1.00 0.38 N ATOM 1644 CA TYR A 120 0.912 -7.979 6.444 1.00 0.38 C ATOM 1645 C TYR A 120 2.221 -7.325 6.011 1.00 0.37 C ATOM 1646 O TYR A 120 2.518 -6.196 6.402 1.00 0.41 O ATOM 1647 CB TYR A 120 -0.283 -7.136 5.982 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.457 -7.055 4.480 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.323 -6.198 3.712 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -1.410 -7.833 3.832 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.159 -6.119 2.342 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.580 -7.760 2.463 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.793 -6.902 1.722 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.959 -6.825 0.358 1.00 1.67 O ATOM 0 H TYR A 120 0.841 -7.240 8.403 1.00 0.38 H new ATOM 0 HA TYR A 120 0.848 -8.965 5.984 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -1.192 -7.550 6.418 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -0.172 -6.126 6.376 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.069 -5.584 4.194 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -2.028 -8.506 4.409 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.773 -5.448 1.760 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -2.325 -8.371 1.975 1.00 1.08 H new ATOM 0 HH TYR A 120 -1.668 -7.441 0.079 1.00 1.67 H new ATOM 1664 N LYS A 121 3.003 -8.036 5.204 1.00 0.35 N ATOM 1665 CA LYS A 121 4.278 -7.512 4.725 1.00 0.36 C ATOM 1666 C LYS A 121 4.391 -7.636 3.209 1.00 0.35 C ATOM 1667 O LYS A 121 4.288 -8.731 2.659 1.00 0.36 O ATOM 1668 CB LYS A 121 5.440 -8.246 5.395 1.00 0.39 C ATOM 1669 CG LYS A 121 6.797 -7.618 5.116 1.00 0.91 C ATOM 1670 CD LYS A 121 7.926 -8.400 5.769 1.00 1.08 C ATOM 1671 CE LYS A 121 7.830 -8.362 7.286 1.00 1.35 C ATOM 1672 NZ LYS A 121 8.952 -9.096 7.933 1.00 2.05 N ATOM 0 H LYS A 121 2.778 -8.973 4.869 1.00 0.35 H new ATOM 0 HA LYS A 121 4.324 -6.455 4.986 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.273 -8.267 6.472 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.451 -9.281 5.054 1.00 0.39 H new ATOM 0 HG2 LYS A 121 6.962 -7.572 4.040 1.00 0.91 H new ATOM 0 HG3 LYS A 121 6.805 -6.592 5.484 1.00 0.91 H new ATOM 0 HD2 LYS A 121 7.897 -9.435 5.428 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.885 -7.987 5.454 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.832 -7.326 7.624 1.00 1.35 H new ATOM 0 HE3 LYS A 121 6.882 -8.798 7.601 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 8.849 -9.046 8.967 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 8.936 -10.091 7.631 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.856 -8.664 7.654 1.00 2.05 H new ATOM 1686 N ARG A 122 4.623 -6.509 2.543 1.00 0.35 N ATOM 1687 CA ARG A 122 4.757 -6.496 1.091 1.00 0.36 C ATOM 1688 C ARG A 122 6.213 -6.307 0.681 1.00 0.34 C ATOM 1689 O ARG A 122 6.852 -5.325 1.061 1.00 0.36 O ATOM 1690 CB ARG A 122 3.897 -5.383 0.484 1.00 0.39 C ATOM 1691 CG ARG A 122 4.238 -5.056 -0.962 1.00 0.73 C ATOM 1692 CD ARG A 122 3.428 -3.875 -1.472 1.00 0.64 C ATOM 1693 NE ARG A 122 1.992 -4.122 -1.393 1.00 1.23 N ATOM 1694 CZ ARG A 122 1.070 -3.224 -1.728 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.432 -2.027 -2.169 1.00 1.14 N ATOM 1696 NH2 ARG A 122 -0.217 -3.524 -1.623 1.00 2.32 N ATOM 0 H ARG A 122 4.722 -5.595 2.985 1.00 0.35 H new ATOM 0 HA ARG A 122 4.412 -7.458 0.713 1.00 0.36 H new ATOM 0 HB2 ARG A 122 2.849 -5.676 0.542 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.010 -4.481 1.086 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.302 -4.832 -1.044 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.046 -5.927 -1.588 1.00 0.73 H new ATOM 0 HD2 ARG A 122 3.676 -2.987 -0.890 1.00 0.64 H new ATOM 0 HD3 ARG A 122 3.704 -3.666 -2.506 1.00 0.64 H new ATOM 0 HE ARG A 122 1.678 -5.034 -1.062 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.421 -1.792 -2.252 1.00 1.14 H new ATOM 0 HH12 ARG A 122 0.721 -1.341 -2.425 1.00 1.14 H new ATOM 0 HH21 ARG A 122 -0.500 -4.444 -1.285 1.00 2.32 H new ATOM 0 HH22 ARG A 122 -0.924 -2.835 -1.880 1.00 2.32 H new ATOM 1710 N VAL A 123 6.729 -7.251 -0.098 1.00 0.32 N ATOM 1711 CA VAL A 123 8.103 -7.183 -0.572 1.00 0.32 C ATOM 1712 C VAL A 123 8.141 -6.814 -2.051 1.00 0.30 C ATOM 1713 O VAL A 123 7.613 -7.540 -2.893 1.00 0.33 O ATOM 1714 CB VAL A 123 8.842 -8.520 -0.363 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.268 -8.438 -0.889 1.00 0.41 C ATOM 1716 CG2 VAL A 123 8.834 -8.912 1.106 1.00 0.40 C ATOM 0 H VAL A 123 6.214 -8.073 -0.414 1.00 0.32 H new ATOM 0 HA VAL A 123 8.608 -6.413 0.011 1.00 0.32 H new ATOM 0 HB VAL A 123 8.316 -9.291 -0.927 1.00 0.36 H new ATOM 0 HG11 VAL A 123 10.770 -9.393 -0.731 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.250 -8.210 -1.955 1.00 0.41 H new ATOM 0 HG13 VAL A 123 10.807 -7.653 -0.359 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.360 -9.858 1.233 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.331 -8.139 1.692 1.00 0.40 H new ATOM 0 HG23 VAL A 123 7.805 -9.021 1.448 1.00 0.40 H new ATOM 1720 N SER A 124 8.766 -5.685 -2.357 1.00 0.30 N ATOM 1721 CA SER A 124 8.869 -5.215 -3.734 1.00 0.31 C ATOM 1722 C SER A 124 10.323 -4.918 -4.093 1.00 0.32 C ATOM 1723 O SER A 124 11.106 -4.499 -3.241 1.00 0.36 O ATOM 1724 CB SER A 124 8.015 -3.961 -3.930 1.00 0.35 C ATOM 1725 OG SER A 124 8.445 -2.915 -3.077 1.00 1.14 O ATOM 0 H SER A 124 9.210 -5.076 -1.670 1.00 0.30 H new ATOM 0 HA SER A 124 8.502 -6.001 -4.394 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.074 -3.635 -4.969 1.00 0.35 H new ATOM 0 HB3 SER A 124 6.969 -4.193 -3.728 1.00 0.35 H new ATOM 0 HG SER A 124 8.440 -3.227 -2.148 1.00 1.14 H new ATOM 1731 N LYS A 125 10.677 -5.137 -5.354 1.00 0.35 N ATOM 1732 CA LYS A 125 12.039 -4.891 -5.821 1.00 0.39 C ATOM 1733 C LYS A 125 12.103 -3.634 -6.679 1.00 0.35 C ATOM 1734 O LYS A 125 11.146 -3.297 -7.373 1.00 0.38 O ATOM 1735 CB LYS A 125 12.546 -6.079 -6.636 1.00 0.52 C ATOM 1736 CG LYS A 125 12.382 -7.411 -5.952 1.00 0.88 C ATOM 1737 CD LYS A 125 13.078 -8.517 -6.725 1.00 1.37 C ATOM 1738 CE LYS A 125 14.592 -8.378 -6.661 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.085 -8.329 -5.257 1.00 2.04 N ATOM 0 H LYS A 125 10.041 -5.484 -6.072 1.00 0.35 H new ATOM 0 HA LYS A 125 12.670 -4.754 -4.943 1.00 0.39 H new ATOM 0 HB2 LYS A 125 12.017 -6.104 -7.588 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.601 -5.927 -6.862 1.00 0.52 H new ATOM 0 HG2 LYS A 125 12.791 -7.357 -4.943 1.00 0.88 H new ATOM 0 HG3 LYS A 125 11.322 -7.644 -5.854 1.00 0.88 H new ATOM 0 HD2 LYS A 125 12.784 -9.485 -6.320 1.00 1.37 H new ATOM 0 HD3 LYS A 125 12.754 -8.494 -7.765 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.056 -9.217 -7.180 1.00 1.37 H new ATOM 0 HE3 LYS A 125 14.896 -7.472 -7.185 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.103 -8.540 -5.239 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 14.921 -7.380 -4.864 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 14.576 -9.033 -4.685 1.00 2.04 H new ATOM 1753 N ARG A 126 13.238 -2.946 -6.634 1.00 0.37 N ATOM 1754 CA ARG A 126 13.424 -1.734 -7.421 1.00 0.40 C ATOM 1755 C ARG A 126 13.938 -2.083 -8.815 1.00 0.44 C ATOM 1756 O ARG A 126 15.010 -2.672 -8.960 1.00 0.52 O ATOM 1757 CB ARG A 126 14.403 -0.789 -6.716 1.00 0.51 C ATOM 1758 CG ARG A 126 14.450 0.612 -7.307 1.00 0.63 C ATOM 1759 CD ARG A 126 15.446 0.710 -8.452 1.00 1.14 C ATOM 1760 NE ARG A 126 15.506 2.060 -9.006 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.599 2.588 -9.551 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.718 1.877 -9.620 1.00 2.51 N ATOM 1763 NH2 ARG A 126 16.572 3.825 -10.029 1.00 3.09 N ATOM 0 H ARG A 126 14.041 -3.206 -6.062 1.00 0.37 H new ATOM 0 HA ARG A 126 12.462 -1.231 -7.519 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.129 -0.718 -5.663 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.402 -1.222 -6.757 1.00 0.51 H new ATOM 0 HG2 ARG A 126 13.458 0.889 -7.664 1.00 0.63 H new ATOM 0 HG3 ARG A 126 14.720 1.326 -6.529 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.435 0.418 -8.099 1.00 1.14 H new ATOM 0 HD3 ARG A 126 15.167 0.007 -9.237 1.00 1.14 H new ATOM 0 HE ARG A 126 14.661 2.631 -8.973 1.00 1.70 H new ATOM 0 HH11 ARG A 126 17.741 0.925 -9.255 1.00 2.51 H new ATOM 0 HH12 ARG A 126 18.555 2.283 -10.038 1.00 2.51 H new ATOM 0 HH21 ARG A 126 15.713 4.372 -9.979 1.00 3.09 H new ATOM 0 HH22 ARG A 126 17.410 4.229 -10.447 1.00 3.09 H new ATOM 1777 N ILE A 127 13.170 -1.718 -9.834 1.00 0.48 N ATOM 1778 CA ILE A 127 13.549 -1.997 -11.215 1.00 0.58 C ATOM 1779 C ILE A 127 13.260 -0.802 -12.117 1.00 0.75 C ATOM 1780 O ILE A 127 14.136 0.028 -12.362 1.00 1.31 O ATOM 1781 CB ILE A 127 12.809 -3.233 -11.767 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.298 -3.072 -11.605 1.00 0.82 C ATOM 1783 CG2 ILE A 127 13.284 -4.496 -11.062 1.00 1.23 C ATOM 1784 CD1 ILE A 127 10.494 -3.862 -12.615 1.00 1.21 C ATOM 0 H ILE A 127 12.281 -1.228 -9.731 1.00 0.48 H new ATOM 0 HA ILE A 127 14.620 -2.197 -11.212 1.00 0.58 H new ATOM 0 HB ILE A 127 13.035 -3.321 -12.830 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.013 -3.385 -10.601 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.042 -2.016 -11.694 1.00 0.82 H new ATOM 0 HG21 ILE A 127 12.752 -5.359 -11.463 1.00 1.23 H new ATOM 0 HG22 ILE A 127 14.354 -4.622 -11.224 1.00 1.23 H new ATOM 0 HG23 ILE A 127 13.086 -4.413 -9.993 1.00 1.23 H new ATOM 0 HD11 ILE A 127 9.430 -3.700 -12.440 1.00 1.21 H new ATOM 0 HD12 ILE A 127 10.750 -3.533 -13.622 1.00 1.21 H new ATOM 0 HD13 ILE A 127 10.721 -4.923 -12.511 1.00 1.21 H new TER 1788 ILE A 127 HETATM 1789 C1 OLA A 128 -10.275 -7.886 -12.227 1.00 4.80 C HETATM 1790 O1 OLA A 128 -10.776 -7.273 -13.193 1.00 5.27 O HETATM 1791 O2 OLA A 128 -10.919 -8.681 -11.510 1.00 5.34 O HETATM 1792 C2 OLA A 128 -8.811 -7.654 -11.908 1.00 3.99 C HETATM 1793 C3 OLA A 128 -8.593 -7.160 -10.488 1.00 2.99 C HETATM 1794 C4 OLA A 128 -7.969 -8.234 -9.613 1.00 2.27 C HETATM 1795 C5 OLA A 128 -6.603 -7.810 -9.102 1.00 1.37 C HETATM 1796 C6 OLA A 128 -6.714 -7.019 -7.808 1.00 1.21 C HETATM 1797 C7 OLA A 128 -5.830 -7.601 -6.718 1.00 1.40 C HETATM 1798 C8 OLA A 128 -5.929 -6.793 -5.434 1.00 1.72 C HETATM 1799 C9 OLA A 128 -5.936 -7.678 -4.301 1.00 2.12 C HETATM 1800 C10 OLA A 128 -6.500 -7.288 -3.091 1.00 2.24 C HETATM 1801 C11 OLA A 128 -7.096 -5.989 -2.932 1.00 1.95 C HETATM 1802 C12 OLA A 128 -6.038 -4.980 -2.510 1.00 1.93 C HETATM 1803 C13 OLA A 128 -5.844 -3.901 -3.563 1.00 2.05 C HETATM 1804 C14 OLA A 128 -5.949 -2.510 -2.962 1.00 2.14 C HETATM 1805 C15 OLA A 128 -6.495 -1.509 -3.967 1.00 2.46 C HETATM 1806 C16 OLA A 128 -6.296 -0.078 -3.493 1.00 2.76 C HETATM 1807 C17 OLA A 128 -7.604 0.698 -3.495 1.00 3.48 C HETATM 1808 C18 OLA A 128 -7.329 2.184 -3.545 1.00 4.18 C HETATM 0 H183 OLA A 128 -6.743 2.475 -2.673 1.00 4.18 H new HETATM 0 H182 OLA A 128 -6.773 2.421 -4.452 1.00 4.18 H new HETATM 0 H181 OLA A 128 -8.273 2.729 -3.546 1.00 4.18 H new HETATM 0 H172 OLA A 128 -8.209 0.404 -4.353 1.00 3.48 H new HETATM 0 H171 OLA A 128 -8.180 0.457 -2.601 1.00 3.48 H new HETATM 0 H162 OLA A 128 -5.876 -0.082 -2.487 1.00 2.76 H new HETATM 0 H161 OLA A 128 -5.574 0.423 -4.138 1.00 2.76 H new HETATM 0 H152 OLA A 128 -5.998 -1.648 -4.927 1.00 2.46 H new HETATM 0 H151 OLA A 128 -7.557 -1.696 -4.128 1.00 2.46 H new HETATM 0 H142 OLA A 128 -6.598 -2.539 -2.086 1.00 2.14 H new HETATM 0 H141 OLA A 128 -4.966 -2.185 -2.620 1.00 2.14 H new HETATM 0 H132 OLA A 128 -4.868 -4.022 -4.034 1.00 2.05 H new HETATM 0 H131 OLA A 128 -6.593 -4.017 -4.347 1.00 2.05 H new HETATM 0 H122 OLA A 128 -6.329 -4.520 -1.566 1.00 1.93 H new HETATM 0 H121 OLA A 128 -5.093 -5.494 -2.336 1.00 1.93 H new HETATM 0 H112 OLA A 128 -7.558 -5.674 -3.868 1.00 1.95 H new HETATM 0 H111 OLA A 128 -7.888 -6.032 -2.184 1.00 1.95 H new HETATM 0 HO2 OLA A 128 -10.297 -9.275 -11.040 1.00 5.34 H new HETATM 0 H9 OLA A 128 -5.493 -8.670 -4.392 1.00 2.12 H new HETATM 0 H82 OLA A 128 -5.089 -6.102 -5.362 1.00 1.72 H new HETATM 0 H81 OLA A 128 -6.837 -6.190 -5.442 1.00 1.72 H new HETATM 0 H72 OLA A 128 -6.121 -8.633 -6.524 1.00 1.40 H new HETATM 0 H71 OLA A 128 -4.795 -7.621 -7.059 1.00 1.40 H new HETATM 0 H62 OLA A 128 -6.433 -5.982 -7.990 1.00 1.21 H new HETATM 0 H61 OLA A 128 -7.751 -7.014 -7.472 1.00 1.21 H new HETATM 0 H52 OLA A 128 -5.984 -8.692 -8.939 1.00 1.37 H new HETATM 0 H51 OLA A 128 -6.102 -7.205 -9.858 1.00 1.37 H new HETATM 0 H42 OLA A 128 -8.626 -8.444 -8.769 1.00 2.27 H new HETATM 0 H41 OLA A 128 -7.875 -9.159 -10.182 1.00 2.27 H new HETATM 0 H32 OLA A 128 -7.948 -6.281 -10.503 1.00 2.99 H new HETATM 0 H31 OLA A 128 -9.546 -6.849 -10.060 1.00 2.99 H new HETATM 0 H22 OLA A 128 -8.260 -8.583 -12.054 1.00 3.99 H new HETATM 0 H21 OLA A 128 -8.401 -6.926 -12.609 1.00 3.99 H new HETATM 0 H10 OLA A 128 -6.490 -7.979 -2.248 1.00 2.24 H new HETATM 1842 C1 OLA A 129 2.876 1.366 -0.995 1.00 2.32 C HETATM 1843 O1 OLA A 129 3.733 2.136 -0.514 1.00 2.82 O HETATM 1844 O2 OLA A 129 2.834 1.061 -2.206 1.00 2.88 O HETATM 1845 C2 OLA A 129 1.883 0.715 -0.054 1.00 1.83 C HETATM 1846 C3 OLA A 129 1.157 1.724 0.819 1.00 1.51 C HETATM 1847 C4 OLA A 129 1.958 2.059 2.066 1.00 1.30 C HETATM 1848 C5 OLA A 129 1.398 3.278 2.780 1.00 1.27 C HETATM 1849 C6 OLA A 129 1.885 4.570 2.144 1.00 1.29 C HETATM 1850 C7 OLA A 129 0.800 5.225 1.305 1.00 1.40 C HETATM 1851 C8 OLA A 129 0.147 6.381 2.045 1.00 1.59 C HETATM 1852 C9 OLA A 129 -1.151 6.646 1.487 1.00 1.46 C HETATM 1853 C10 OLA A 129 -2.280 5.987 1.959 1.00 1.19 C HETATM 1854 C11 OLA A 129 -2.179 5.022 3.018 1.00 1.04 C HETATM 1855 C12 OLA A 129 -3.568 4.553 3.421 1.00 1.25 C HETATM 1856 C13 OLA A 129 -3.858 3.156 2.896 1.00 1.80 C HETATM 1857 C14 OLA A 129 -4.354 3.191 1.459 1.00 2.20 C HETATM 1858 C15 OLA A 129 -3.250 2.821 0.480 1.00 2.16 C HETATM 1859 C16 OLA A 129 -3.817 2.262 -0.815 1.00 2.10 C HETATM 1860 C17 OLA A 129 -2.898 2.546 -1.992 1.00 1.84 C HETATM 1861 C18 OLA A 129 -3.594 2.207 -3.293 1.00 2.46 C HETATM 0 H183 OLA A 129 -3.863 1.151 -3.297 1.00 2.46 H new HETATM 0 H182 OLA A 129 -4.496 2.811 -3.391 1.00 2.46 H new HETATM 0 H181 OLA A 129 -2.925 2.415 -4.128 1.00 2.46 H new HETATM 0 H172 OLA A 129 -2.607 3.596 -1.990 1.00 1.84 H new HETATM 0 H171 OLA A 129 -1.983 1.961 -1.898 1.00 1.84 H new HETATM 0 H162 OLA A 129 -3.962 1.186 -0.716 1.00 2.10 H new HETATM 0 H161 OLA A 129 -4.797 2.700 -1.003 1.00 2.10 H new HETATM 0 H152 OLA A 129 -2.645 3.701 0.263 1.00 2.16 H new HETATM 0 H151 OLA A 129 -2.589 2.084 0.937 1.00 2.16 H new HETATM 0 H142 OLA A 129 -5.190 2.501 1.344 1.00 2.20 H new HETATM 0 H141 OLA A 129 -4.729 4.188 1.226 1.00 2.20 H new HETATM 0 H132 OLA A 129 -2.954 2.549 2.955 1.00 1.80 H new HETATM 0 H131 OLA A 129 -4.606 2.677 3.528 1.00 1.80 H new HETATM 0 H122 OLA A 129 -3.655 4.560 4.508 1.00 1.25 H new HETATM 0 H121 OLA A 129 -4.314 5.249 3.037 1.00 1.25 H new HETATM 0 H112 OLA A 129 -1.579 4.173 2.692 1.00 1.04 H new HETATM 0 H111 OLA A 129 -1.670 5.462 3.876 1.00 1.04 H new HETATM 0 HO2 OLA A 129 3.094 0.123 -2.316 1.00 2.88 H new HETATM 0 H9 OLA A 129 -1.251 7.374 0.682 1.00 1.46 H new HETATM 0 H82 OLA A 129 0.055 6.141 3.104 1.00 1.59 H new HETATM 0 H81 OLA A 129 0.773 7.271 1.973 1.00 1.59 H new HETATM 0 H72 OLA A 129 1.229 5.586 0.370 1.00 1.40 H new HETATM 0 H71 OLA A 129 0.044 4.485 1.044 1.00 1.40 H new HETATM 0 H62 OLA A 129 2.209 5.260 2.923 1.00 1.29 H new HETATM 0 H61 OLA A 129 2.754 4.364 1.519 1.00 1.29 H new HETATM 0 H52 OLA A 129 0.309 3.247 2.755 1.00 1.27 H new HETATM 0 H51 OLA A 129 1.693 3.254 3.829 1.00 1.27 H new HETATM 0 H42 OLA A 129 1.952 1.205 2.743 1.00 1.30 H new HETATM 0 H41 OLA A 129 2.997 2.242 1.793 1.00 1.30 H new HETATM 0 H32 OLA A 129 0.972 2.634 0.248 1.00 1.51 H new HETATM 0 H31 OLA A 129 0.184 1.325 1.106 1.00 1.51 H new HETATM 0 H22 OLA A 129 1.153 0.151 -0.635 1.00 1.83 H new HETATM 0 H21 OLA A 129 2.405 -0.000 0.581 1.00 1.83 H new HETATM 0 H10 OLA A 129 -3.254 6.205 1.520 1.00 1.19 H new