USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1118 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 150:sc= -0.076 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.355 USER MOD Set 2.1: A 90 MET CE :methyl -153:sc= -0.129 (180deg=-0.747) USER MOD Set 2.2: A 93 GLN :FLIP amide:sc= -0.2 F(o=-3.8,f=-0.33) USER MOD Set 3.1: A 87 GLN : amide:sc= -1.86! C(o=-5.2!,f=-6!) USER MOD Set 3.2: A 88 ASN : amide:sc= -3.36! C(o=-5.2!,f=-7.8!) USER MOD Set 4.1: A 71 THR OG1 : rot -140:sc= 1.04 USER MOD Set 4.2: A 77 THR OG1 : rot 134:sc= -1.03! USER MOD Set 5.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 85 ASN :FLIP amide:sc= -0.373 F(o=-3.8!,f=-0.37) USER MOD Set 6.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0898) USER MOD Single : A 2 SER OG : rot 180:sc= -0.161 USER MOD Single : A 4 SER OG : rot 6:sc= 1.26 USER MOD Single : A 5 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0468! USER MOD Single : A 10 GLN : amide:sc= -0.334 X(o=-0.33,f=0.0056) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.12! C(o=-2.1!,f=-3.9!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.164 X(o=-0.16,f=0.099) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 175:sc= -1.43 (180deg=-1.63) USER MOD Single : A 34 THR OG1 : rot -70:sc= 1.3 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.098 (180deg=0.0679) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.65) USER MOD Single : A 54 SER OG : rot -125:sc= -0.454 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc=-0.00834 (180deg=-0.105) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -7.67! C(o=-7.7!,f=-7.6!) USER MOD Single : A 70 MET CE :methyl -123:sc= -3.76! (180deg=-6.13!) USER MOD Single : A 73 MET CE :methyl -125:sc= -3.93 (180deg=-8.74!) USER MOD Single : A 74 TYR OH : rot 160:sc= -3.22! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 MET CE :methyl 161:sc= -3.01 (180deg=-5.91!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 106 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 120:sc= -0.507 USER MOD Single : A 111 GLN : amide:sc= -1 K(o=-1,f=-3.8!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -79:sc= 0.869 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 124 LYS NZ :NH3+ -176:sc= 0.229 (180deg=0.0422) USER MOD Single : A 129 GLN : amide:sc= -7.04! C(o=-7!,f=-9.3!) USER MOD Single : A 130 ASN : amide:sc= -0.395 K(o=-0.4,f=-3.2!) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.391 K(o=-0.39,f=-2.1!) USER MOD Single : A 136 SER OG : rot 69:sc= 0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.816 19.030 10.147 1.00 73.04 N ATOM 2 CA MET A 1 -3.043 19.389 11.330 1.00 71.12 C ATOM 3 C MET A 1 -1.592 19.684 10.962 1.00 33.44 C ATOM 4 O MET A 1 -0.994 20.632 11.470 1.00 51.43 O ATOM 5 CB MET A 1 -3.101 18.263 12.364 1.00 61.10 C ATOM 6 CG MET A 1 -3.840 18.644 13.636 1.00 33.33 C ATOM 7 SD MET A 1 -4.475 17.210 14.527 1.00 64.24 S ATOM 8 CE MET A 1 -6.229 17.572 14.546 1.00 63.25 C ATOM 0 H1 MET A 1 -4.827 18.999 10.389 1.00 73.04 H new ATOM 0 H2 MET A 1 -3.660 19.739 9.402 1.00 73.04 H new ATOM 0 H3 MET A 1 -3.513 18.096 9.805 1.00 73.04 H new ATOM 0 HA MET A 1 -3.480 20.290 11.760 1.00 71.12 H new ATOM 0 HB2 MET A 1 -3.587 17.395 11.917 1.00 61.10 H new ATOM 0 HB3 MET A 1 -2.085 17.963 12.620 1.00 61.10 H new ATOM 0 HG2 MET A 1 -3.169 19.204 14.288 1.00 33.33 H new ATOM 0 HG3 MET A 1 -4.668 19.307 13.386 1.00 33.33 H new ATOM 0 HE1 MET A 1 -6.760 16.774 15.065 1.00 63.25 H new ATOM 0 HE2 MET A 1 -6.400 18.517 15.062 1.00 63.25 H new ATOM 0 HE3 MET A 1 -6.596 17.646 13.522 1.00 63.25 H new ATOM 18 N SER A 2 -1.032 18.864 10.078 1.00 12.40 N ATOM 19 CA SER A 2 0.350 19.035 9.646 1.00 0.31 C ATOM 20 C SER A 2 0.560 18.449 8.253 1.00 4.14 C ATOM 21 O SER A 2 1.159 19.084 7.384 1.00 62.43 O ATOM 22 CB SER A 2 1.303 18.371 10.641 1.00 63.50 C ATOM 23 OG SER A 2 1.054 16.979 10.734 1.00 63.43 O ATOM 0 H SER A 2 -1.514 18.075 9.647 1.00 12.40 H new ATOM 0 HA SER A 2 0.564 20.103 9.607 1.00 0.31 H new ATOM 0 HB2 SER A 2 2.334 18.539 10.330 1.00 63.50 H new ATOM 0 HB3 SER A 2 1.187 18.831 11.623 1.00 63.50 H new ATOM 0 HG SER A 2 1.677 16.577 11.375 1.00 63.43 H new ATOM 29 N LEU A 3 0.064 17.234 8.049 1.00 50.12 N ATOM 30 CA LEU A 3 0.197 16.560 6.762 1.00 55.01 C ATOM 31 C LEU A 3 -1.002 16.857 5.866 1.00 65.03 C ATOM 32 O LEU A 3 -2.127 16.999 6.344 1.00 61.12 O ATOM 33 CB LEU A 3 0.333 15.050 6.966 1.00 2.33 C ATOM 34 CG LEU A 3 -0.761 14.384 7.802 1.00 43.32 C ATOM 35 CD1 LEU A 3 -1.265 13.125 7.115 1.00 63.42 C ATOM 36 CD2 LEU A 3 -0.245 14.063 9.197 1.00 11.20 C ATOM 0 H LEU A 3 -0.434 16.695 8.758 1.00 50.12 H new ATOM 0 HA LEU A 3 1.096 16.937 6.273 1.00 55.01 H new ATOM 0 HB2 LEU A 3 0.356 14.572 5.987 1.00 2.33 H new ATOM 0 HB3 LEU A 3 1.295 14.853 7.439 1.00 2.33 H new ATOM 0 HG LEU A 3 -1.594 15.080 7.896 1.00 43.32 H new ATOM 0 HD11 LEU A 3 -2.043 12.665 7.724 1.00 63.42 H new ATOM 0 HD12 LEU A 3 -1.674 13.383 6.138 1.00 63.42 H new ATOM 0 HD13 LEU A 3 -0.440 12.424 6.989 1.00 63.42 H new ATOM 0 HD21 LEU A 3 -1.037 13.590 9.778 1.00 11.20 H new ATOM 0 HD22 LEU A 3 0.606 13.385 9.123 1.00 11.20 H new ATOM 0 HD23 LEU A 3 0.066 14.984 9.691 1.00 11.20 H new ATOM 48 N SER A 4 -0.752 16.948 4.563 1.00 22.43 N ATOM 49 CA SER A 4 -1.810 17.229 3.600 1.00 44.01 C ATOM 50 C SER A 4 -1.330 16.969 2.175 1.00 0.31 C ATOM 51 O SER A 4 -0.128 16.894 1.916 1.00 34.52 O ATOM 52 CB SER A 4 -2.280 18.679 3.736 1.00 64.44 C ATOM 53 OG SER A 4 -3.100 18.844 4.879 1.00 75.31 O ATOM 0 H SER A 4 0.174 16.831 4.151 1.00 22.43 H new ATOM 0 HA SER A 4 -2.646 16.562 3.810 1.00 44.01 H new ATOM 0 HB2 SER A 4 -1.416 19.340 3.806 1.00 64.44 H new ATOM 0 HB3 SER A 4 -2.833 18.971 2.843 1.00 64.44 H new ATOM 0 HG SER A 4 -3.121 18.008 5.390 1.00 75.31 H new ATOM 59 N HIS A 5 -2.278 16.833 1.254 1.00 54.44 N ATOM 60 CA HIS A 5 -1.954 16.583 -0.146 1.00 60.51 C ATOM 61 C HIS A 5 -1.560 15.124 -0.360 1.00 35.03 C ATOM 62 O HIS A 5 -0.613 14.630 0.253 1.00 70.41 O ATOM 63 CB HIS A 5 -0.819 17.501 -0.601 1.00 73.11 C ATOM 64 CG HIS A 5 -1.046 18.109 -1.951 1.00 1.42 C ATOM 65 ND1 HIS A 5 -0.142 18.000 -2.987 1.00 15.22 N ATOM 66 CD2 HIS A 5 -2.082 18.835 -2.432 1.00 50.20 C ATOM 67 CE1 HIS A 5 -0.612 18.634 -4.046 1.00 53.13 C ATOM 68 NE2 HIS A 5 -1.788 19.149 -3.736 1.00 53.32 N ATOM 0 H HIS A 5 -3.277 16.892 1.452 1.00 54.44 H new ATOM 0 HA HIS A 5 -2.842 16.793 -0.742 1.00 60.51 H new ATOM 0 HB2 HIS A 5 -0.692 18.299 0.131 1.00 73.11 H new ATOM 0 HB3 HIS A 5 0.111 16.934 -0.619 1.00 73.11 H new ATOM 0 HD2 HIS A 5 -2.974 19.115 -1.891 1.00 50.20 H new ATOM 0 HE1 HIS A 5 -0.118 18.717 -5.003 1.00 53.13 H new ATOM 0 HE2 HIS A 5 -2.381 19.692 -4.363 1.00 53.32 H new ATOM 76 N LEU A 6 -2.294 14.440 -1.231 1.00 2.01 N ATOM 77 CA LEU A 6 -2.022 13.037 -1.525 1.00 0.20 C ATOM 78 C LEU A 6 -1.599 12.289 -0.265 1.00 30.20 C ATOM 79 O LEU A 6 -0.408 12.113 -0.004 1.00 14.25 O ATOM 80 CB LEU A 6 -0.931 12.921 -2.591 1.00 52.21 C ATOM 81 CG LEU A 6 -1.270 12.058 -3.807 1.00 12.10 C ATOM 82 CD1 LEU A 6 -1.795 12.921 -4.944 1.00 64.34 C ATOM 83 CD2 LEU A 6 -0.051 11.265 -4.255 1.00 1.32 C ATOM 0 H LEU A 6 -3.082 14.834 -1.746 1.00 2.01 H new ATOM 0 HA LEU A 6 -2.940 12.586 -1.903 1.00 0.20 H new ATOM 0 HB2 LEU A 6 -0.684 13.924 -2.940 1.00 52.21 H new ATOM 0 HB3 LEU A 6 -0.034 12.516 -2.122 1.00 52.21 H new ATOM 0 HG LEU A 6 -2.052 11.354 -3.522 1.00 12.10 H new ATOM 0 HD11 LEU A 6 -2.031 12.290 -5.801 1.00 64.34 H new ATOM 0 HD12 LEU A 6 -2.695 13.443 -4.619 1.00 64.34 H new ATOM 0 HD13 LEU A 6 -1.036 13.650 -5.228 1.00 64.34 H new ATOM 0 HD21 LEU A 6 -0.311 10.657 -5.121 1.00 1.32 H new ATOM 0 HD22 LEU A 6 0.752 11.952 -4.522 1.00 1.32 H new ATOM 0 HD23 LEU A 6 0.280 10.617 -3.443 1.00 1.32 H new ATOM 95 N THR A 7 -2.582 11.847 0.513 1.00 14.01 N ATOM 96 CA THR A 7 -2.313 11.116 1.745 1.00 42.40 C ATOM 97 C THR A 7 -3.605 10.788 2.484 1.00 53.14 C ATOM 98 O THR A 7 -4.701 11.051 1.986 1.00 61.13 O ATOM 99 CB THR A 7 -1.389 11.917 2.682 1.00 65.30 C ATOM 100 OG1 THR A 7 -1.186 11.196 3.903 1.00 52.41 O ATOM 101 CG2 THR A 7 -1.980 13.285 2.986 1.00 21.24 C ATOM 0 H THR A 7 -3.573 11.983 0.311 1.00 14.01 H new ATOM 0 HA THR A 7 -1.816 10.189 1.460 1.00 42.40 H new ATOM 0 HB THR A 7 -0.432 12.057 2.180 1.00 65.30 H new ATOM 0 HG1 THR A 7 -0.596 11.711 4.493 1.00 52.41 H new ATOM 0 HG21 THR A 7 -1.310 13.832 3.649 1.00 21.24 H new ATOM 0 HG22 THR A 7 -2.105 13.842 2.057 1.00 21.24 H new ATOM 0 HG23 THR A 7 -2.949 13.163 3.470 1.00 21.24 H new ATOM 109 N LEU A 8 -3.471 10.213 3.674 1.00 53.24 N ATOM 110 CA LEU A 8 -4.630 9.849 4.482 1.00 3.33 C ATOM 111 C LEU A 8 -5.396 11.091 4.926 1.00 40.42 C ATOM 112 O LEU A 8 -6.605 11.039 5.153 1.00 22.02 O ATOM 113 CB LEU A 8 -4.190 9.044 5.706 1.00 65.32 C ATOM 114 CG LEU A 8 -3.494 7.713 5.418 1.00 30.43 C ATOM 115 CD1 LEU A 8 -3.266 6.940 6.708 1.00 31.11 C ATOM 116 CD2 LEU A 8 -4.311 6.885 4.436 1.00 4.51 C ATOM 0 H LEU A 8 -2.572 9.989 4.101 1.00 53.24 H new ATOM 0 HA LEU A 8 -5.291 9.236 3.869 1.00 3.33 H new ATOM 0 HB2 LEU A 8 -3.517 9.662 6.300 1.00 65.32 H new ATOM 0 HB3 LEU A 8 -5.068 8.847 6.321 1.00 65.32 H new ATOM 0 HG LEU A 8 -2.524 7.922 4.967 1.00 30.43 H new ATOM 0 HD11 LEU A 8 -2.770 5.996 6.484 1.00 31.11 H new ATOM 0 HD12 LEU A 8 -2.640 7.528 7.379 1.00 31.11 H new ATOM 0 HD13 LEU A 8 -4.225 6.741 7.187 1.00 31.11 H new ATOM 0 HD21 LEU A 8 -3.801 5.942 4.243 1.00 4.51 H new ATOM 0 HD22 LEU A 8 -5.295 6.685 4.859 1.00 4.51 H new ATOM 0 HD23 LEU A 8 -4.423 7.435 3.502 1.00 4.51 H new ATOM 128 N ASP A 9 -4.685 12.207 5.045 1.00 52.42 N ATOM 129 CA ASP A 9 -5.299 13.464 5.458 1.00 42.23 C ATOM 130 C ASP A 9 -6.538 13.765 4.621 1.00 73.32 C ATOM 131 O ASP A 9 -7.486 14.386 5.100 1.00 32.13 O ATOM 132 CB ASP A 9 -4.295 14.611 5.335 1.00 44.34 C ATOM 133 CG ASP A 9 -4.851 15.926 5.846 1.00 74.45 C ATOM 134 OD1 ASP A 9 -5.092 16.033 7.066 1.00 72.10 O ATOM 135 OD2 ASP A 9 -5.047 16.847 5.025 1.00 72.42 O ATOM 0 H ASP A 9 -3.683 12.267 4.861 1.00 52.42 H new ATOM 0 HA ASP A 9 -5.602 13.366 6.500 1.00 42.23 H new ATOM 0 HB2 ASP A 9 -3.392 14.361 5.892 1.00 44.34 H new ATOM 0 HB3 ASP A 9 -4.004 14.724 4.291 1.00 44.34 H new ATOM 140 N GLN A 10 -6.522 13.320 3.368 1.00 12.42 N ATOM 141 CA GLN A 10 -7.645 13.544 2.465 1.00 65.25 C ATOM 142 C GLN A 10 -8.873 12.761 2.918 1.00 44.41 C ATOM 143 O GLN A 10 -9.998 13.257 2.848 1.00 65.24 O ATOM 144 CB GLN A 10 -7.266 13.141 1.038 1.00 32.22 C ATOM 145 CG GLN A 10 -6.012 13.829 0.524 1.00 52.11 C ATOM 146 CD GLN A 10 -6.215 15.313 0.291 1.00 41.21 C ATOM 147 OE1 GLN A 10 -7.031 15.718 -0.538 1.00 30.52 O ATOM 148 NE2 GLN A 10 -5.471 16.135 1.023 1.00 73.32 N ATOM 0 H GLN A 10 -5.745 12.803 2.956 1.00 12.42 H new ATOM 0 HA GLN A 10 -7.888 14.606 2.483 1.00 65.25 H new ATOM 0 HB2 GLN A 10 -7.119 12.062 1.001 1.00 32.22 H new ATOM 0 HB3 GLN A 10 -8.097 13.373 0.371 1.00 32.22 H new ATOM 0 HG2 GLN A 10 -5.203 13.685 1.241 1.00 52.11 H new ATOM 0 HG3 GLN A 10 -5.700 13.358 -0.408 1.00 52.11 H new ATOM 0 HE21 GLN A 10 -4.807 15.757 1.699 1.00 73.32 H new ATOM 0 HE22 GLN A 10 -5.564 17.144 0.909 1.00 73.32 H new ATOM 157 N TYR A 11 -8.649 11.537 3.382 1.00 14.15 N ATOM 158 CA TYR A 11 -9.738 10.685 3.845 1.00 73.22 C ATOM 159 C TYR A 11 -10.494 11.343 4.995 1.00 34.31 C ATOM 160 O TYR A 11 -11.670 11.058 5.224 1.00 72.24 O ATOM 161 CB TYR A 11 -9.196 9.325 4.288 1.00 74.32 C ATOM 162 CG TYR A 11 -8.784 8.434 3.138 1.00 22.40 C ATOM 163 CD1 TYR A 11 -9.628 8.229 2.054 1.00 73.10 C ATOM 164 CD2 TYR A 11 -7.549 7.797 3.135 1.00 4.25 C ATOM 165 CE1 TYR A 11 -9.256 7.415 1.002 1.00 65.01 C ATOM 166 CE2 TYR A 11 -7.167 6.983 2.087 1.00 62.31 C ATOM 167 CZ TYR A 11 -8.024 6.794 1.023 1.00 41.32 C ATOM 168 OH TYR A 11 -7.648 5.984 -0.024 1.00 73.00 O ATOM 0 H TYR A 11 -7.724 11.113 3.448 1.00 14.15 H new ATOM 0 HA TYR A 11 -10.430 10.540 3.015 1.00 73.22 H new ATOM 0 HB2 TYR A 11 -8.338 9.481 4.942 1.00 74.32 H new ATOM 0 HB3 TYR A 11 -9.957 8.814 4.878 1.00 74.32 H new ATOM 0 HD1 TYR A 11 -10.592 8.715 2.033 1.00 73.10 H new ATOM 0 HD2 TYR A 11 -6.876 7.941 3.967 1.00 4.25 H new ATOM 0 HE1 TYR A 11 -9.925 7.265 0.168 1.00 65.01 H new ATOM 0 HE2 TYR A 11 -6.203 6.497 2.100 1.00 62.31 H new ATOM 0 HH TYR A 11 -6.752 5.625 0.146 1.00 73.00 H new ATOM 178 N TYR A 12 -9.811 12.225 5.716 1.00 62.44 N ATOM 179 CA TYR A 12 -10.416 12.923 6.844 1.00 64.13 C ATOM 180 C TYR A 12 -11.632 13.728 6.397 1.00 11.02 C ATOM 181 O TYR A 12 -12.640 13.790 7.100 1.00 12.31 O ATOM 182 CB TYR A 12 -9.393 13.848 7.506 1.00 61.22 C ATOM 183 CG TYR A 12 -9.593 14.003 8.996 1.00 1.34 C ATOM 184 CD1 TYR A 12 -9.730 12.891 9.818 1.00 3.34 C ATOM 185 CD2 TYR A 12 -9.646 15.262 9.583 1.00 61.32 C ATOM 186 CE1 TYR A 12 -9.913 13.028 11.181 1.00 53.33 C ATOM 187 CE2 TYR A 12 -9.828 15.408 10.944 1.00 4.23 C ATOM 188 CZ TYR A 12 -9.961 14.289 11.739 1.00 70.30 C ATOM 189 OH TYR A 12 -10.144 14.430 13.095 1.00 4.55 O ATOM 0 H TYR A 12 -8.838 12.474 5.539 1.00 62.44 H new ATOM 0 HA TYR A 12 -10.743 12.177 7.568 1.00 64.13 H new ATOM 0 HB2 TYR A 12 -8.391 13.460 7.321 1.00 61.22 H new ATOM 0 HB3 TYR A 12 -9.446 14.830 7.037 1.00 61.22 H new ATOM 0 HD1 TYR A 12 -9.693 11.903 9.384 1.00 3.34 H new ATOM 0 HD2 TYR A 12 -9.543 16.141 8.964 1.00 61.32 H new ATOM 0 HE1 TYR A 12 -10.018 12.153 11.806 1.00 53.33 H new ATOM 0 HE2 TYR A 12 -9.866 16.394 11.384 1.00 4.23 H new ATOM 0 HH TYR A 12 -10.153 15.382 13.327 1.00 4.55 H new ATOM 199 N GLU A 13 -11.529 14.342 5.223 1.00 45.32 N ATOM 200 CA GLU A 13 -12.620 15.144 4.682 1.00 61.11 C ATOM 201 C GLU A 13 -13.865 14.290 4.461 1.00 30.45 C ATOM 202 O GLU A 13 -14.981 14.710 4.768 1.00 31.01 O ATOM 203 CB GLU A 13 -12.197 15.798 3.365 1.00 54.41 C ATOM 204 CG GLU A 13 -10.866 16.526 3.447 1.00 51.24 C ATOM 205 CD GLU A 13 -10.982 17.996 3.091 1.00 22.30 C ATOM 206 OE1 GLU A 13 -11.271 18.805 3.997 1.00 60.01 O ATOM 207 OE2 GLU A 13 -10.783 18.336 1.906 1.00 44.20 O ATOM 0 H GLU A 13 -10.701 14.300 4.628 1.00 45.32 H new ATOM 0 HA GLU A 13 -12.858 15.923 5.406 1.00 61.11 H new ATOM 0 HB2 GLU A 13 -12.136 15.032 2.592 1.00 54.41 H new ATOM 0 HB3 GLU A 13 -12.969 16.503 3.055 1.00 54.41 H new ATOM 0 HG2 GLU A 13 -10.466 16.431 4.456 1.00 51.24 H new ATOM 0 HG3 GLU A 13 -10.153 16.048 2.775 1.00 51.24 H new ATOM 214 N ILE A 14 -13.665 13.089 3.928 1.00 41.54 N ATOM 215 CA ILE A 14 -14.770 12.176 3.667 1.00 54.15 C ATOM 216 C ILE A 14 -15.399 11.687 4.967 1.00 4.42 C ATOM 217 O ILE A 14 -16.621 11.602 5.083 1.00 22.41 O ATOM 218 CB ILE A 14 -14.312 10.959 2.842 1.00 72.22 C ATOM 219 CG1 ILE A 14 -13.948 11.387 1.419 1.00 53.23 C ATOM 220 CG2 ILE A 14 -15.400 9.895 2.819 1.00 64.02 C ATOM 221 CD1 ILE A 14 -12.458 11.503 1.185 1.00 73.11 C ATOM 0 H ILE A 14 -12.748 12.726 3.669 1.00 41.54 H new ATOM 0 HA ILE A 14 -15.511 12.734 3.095 1.00 54.15 H new ATOM 0 HB ILE A 14 -13.425 10.534 3.311 1.00 72.22 H new ATOM 0 HG12 ILE A 14 -14.363 10.667 0.714 1.00 53.23 H new ATOM 0 HG13 ILE A 14 -14.417 12.348 1.206 1.00 53.23 H new ATOM 0 HG21 ILE A 14 -15.062 9.041 2.232 1.00 64.02 H new ATOM 0 HG22 ILE A 14 -15.615 9.573 3.838 1.00 64.02 H new ATOM 0 HG23 ILE A 14 -16.304 10.308 2.371 1.00 64.02 H new ATOM 0 HD11 ILE A 14 -12.274 11.810 0.155 1.00 73.11 H new ATOM 0 HD12 ILE A 14 -12.040 12.245 1.865 1.00 73.11 H new ATOM 0 HD13 ILE A 14 -11.985 10.538 1.366 1.00 73.11 H new ATOM 233 N GLN A 15 -14.554 11.370 5.943 1.00 11.23 N ATOM 234 CA GLN A 15 -15.027 10.891 7.237 1.00 53.24 C ATOM 235 C GLN A 15 -15.902 11.938 7.918 1.00 1.52 C ATOM 236 O GLN A 15 -16.962 11.620 8.459 1.00 25.30 O ATOM 237 CB GLN A 15 -13.843 10.535 8.137 1.00 61.34 C ATOM 238 CG GLN A 15 -13.118 9.267 7.715 1.00 73.34 C ATOM 239 CD GLN A 15 -12.031 8.863 8.691 1.00 11.51 C ATOM 240 OE1 GLN A 15 -12.255 8.812 9.901 1.00 41.21 O ATOM 241 NE2 GLN A 15 -10.844 8.574 8.170 1.00 55.10 N ATOM 0 H GLN A 15 -13.539 11.436 5.863 1.00 11.23 H new ATOM 0 HA GLN A 15 -15.627 9.997 7.068 1.00 53.24 H new ATOM 0 HB2 GLN A 15 -13.136 11.365 8.138 1.00 61.34 H new ATOM 0 HB3 GLN A 15 -14.198 10.417 9.161 1.00 61.34 H new ATOM 0 HG2 GLN A 15 -13.839 8.454 7.623 1.00 73.34 H new ATOM 0 HG3 GLN A 15 -12.678 9.416 6.729 1.00 73.34 H new ATOM 0 HE21 GLN A 15 -10.703 8.629 7.161 1.00 55.10 H new ATOM 0 HE22 GLN A 15 -10.074 8.297 8.779 1.00 55.10 H new ATOM 250 N CYS A 16 -15.452 13.188 7.889 1.00 64.22 N ATOM 251 CA CYS A 16 -16.193 14.282 8.505 1.00 0.41 C ATOM 252 C CYS A 16 -17.536 14.488 7.812 1.00 62.14 C ATOM 253 O CYS A 16 -18.547 14.751 8.461 1.00 1.30 O ATOM 254 CB CYS A 16 -15.375 15.573 8.452 1.00 1.50 C ATOM 255 SG CYS A 16 -15.908 16.834 9.634 1.00 42.14 S ATOM 0 H CYS A 16 -14.577 13.468 7.445 1.00 64.22 H new ATOM 0 HA CYS A 16 -16.379 14.020 9.547 1.00 0.41 H new ATOM 0 HB2 CYS A 16 -14.328 15.335 8.639 1.00 1.50 H new ATOM 0 HB3 CYS A 16 -15.433 15.986 7.445 1.00 1.50 H new ATOM 0 HG CYS A 16 -15.155 17.887 9.514 1.00 42.14 H new ATOM 261 N ASN A 17 -17.537 14.367 6.488 1.00 0.20 N ATOM 262 CA ASN A 17 -18.755 14.542 5.706 1.00 53.03 C ATOM 263 C ASN A 17 -19.836 13.563 6.156 1.00 41.53 C ATOM 264 O ASN A 17 -21.024 13.882 6.132 1.00 50.43 O ATOM 265 CB ASN A 17 -18.463 14.347 4.217 1.00 65.43 C ATOM 266 CG ASN A 17 -18.249 15.661 3.492 1.00 55.51 C ATOM 267 OD1 ASN A 17 -18.996 16.620 3.690 1.00 40.22 O ATOM 268 ND2 ASN A 17 -17.227 15.712 2.646 1.00 24.15 N ATOM 0 H ASN A 17 -16.708 14.149 5.935 1.00 0.20 H new ATOM 0 HA ASN A 17 -19.118 15.557 5.868 1.00 53.03 H new ATOM 0 HB2 ASN A 17 -17.576 13.724 4.102 1.00 65.43 H new ATOM 0 HB3 ASN A 17 -19.292 13.811 3.754 1.00 65.43 H new ATOM 0 HD21 ASN A 17 -17.035 16.570 2.129 1.00 24.15 H new ATOM 0 HD22 ASN A 17 -16.634 14.893 2.513 1.00 24.15 H new ATOM 275 N GLU A 18 -19.414 12.372 6.566 1.00 24.40 N ATOM 276 CA GLU A 18 -20.346 11.347 7.021 1.00 23.23 C ATOM 277 C GLU A 18 -21.053 11.784 8.301 1.00 5.11 C ATOM 278 O GLU A 18 -22.239 11.515 8.492 1.00 73.44 O ATOM 279 CB GLU A 18 -19.611 10.026 7.257 1.00 24.25 C ATOM 280 CG GLU A 18 -18.626 9.672 6.156 1.00 71.33 C ATOM 281 CD GLU A 18 -19.097 8.509 5.304 1.00 31.21 C ATOM 282 OE1 GLU A 18 -19.667 7.552 5.868 1.00 20.15 O ATOM 283 OE2 GLU A 18 -18.896 8.556 4.072 1.00 5.54 O ATOM 0 H GLU A 18 -18.433 12.093 6.593 1.00 24.40 H new ATOM 0 HA GLU A 18 -21.096 11.203 6.243 1.00 23.23 H new ATOM 0 HB2 GLU A 18 -19.078 10.081 8.206 1.00 24.25 H new ATOM 0 HB3 GLU A 18 -20.343 9.224 7.349 1.00 24.25 H new ATOM 0 HG2 GLU A 18 -18.469 10.543 5.520 1.00 71.33 H new ATOM 0 HG3 GLU A 18 -17.662 9.425 6.601 1.00 71.33 H new ATOM 290 N LEU A 19 -20.315 12.460 9.176 1.00 73.34 N ATOM 291 CA LEU A 19 -20.870 12.935 10.438 1.00 30.35 C ATOM 292 C LEU A 19 -21.933 14.002 10.199 1.00 10.11 C ATOM 293 O LEU A 19 -23.046 13.909 10.715 1.00 12.11 O ATOM 294 CB LEU A 19 -19.759 13.496 11.327 1.00 23.34 C ATOM 295 CG LEU A 19 -18.952 12.468 12.123 1.00 53.35 C ATOM 296 CD1 LEU A 19 -18.562 11.295 11.237 1.00 32.13 C ATOM 297 CD2 LEU A 19 -17.716 13.115 12.730 1.00 63.04 C ATOM 0 H LEU A 19 -19.332 12.691 9.034 1.00 73.34 H new ATOM 0 HA LEU A 19 -21.338 12.089 10.942 1.00 30.35 H new ATOM 0 HB2 LEU A 19 -19.070 14.062 10.700 1.00 23.34 H new ATOM 0 HB3 LEU A 19 -20.204 14.201 12.029 1.00 23.34 H new ATOM 0 HG LEU A 19 -19.576 12.093 12.934 1.00 53.35 H new ATOM 0 HD11 LEU A 19 -17.989 10.574 11.820 1.00 32.13 H new ATOM 0 HD12 LEU A 19 -19.462 10.816 10.850 1.00 32.13 H new ATOM 0 HD13 LEU A 19 -17.956 11.653 10.405 1.00 32.13 H new ATOM 0 HD21 LEU A 19 -17.154 12.369 13.293 1.00 63.04 H new ATOM 0 HD22 LEU A 19 -17.089 13.518 11.935 1.00 63.04 H new ATOM 0 HD23 LEU A 19 -18.018 13.921 13.398 1.00 63.04 H new ATOM 309 N GLU A 20 -21.582 15.014 9.412 1.00 64.13 N ATOM 310 CA GLU A 20 -22.507 16.098 9.103 1.00 22.12 C ATOM 311 C GLU A 20 -23.650 15.603 8.221 1.00 2.33 C ATOM 312 O GLU A 20 -24.782 16.071 8.335 1.00 74.02 O ATOM 313 CB GLU A 20 -21.770 17.244 8.407 1.00 13.30 C ATOM 314 CG GLU A 20 -20.610 16.785 7.541 1.00 64.12 C ATOM 315 CD GLU A 20 -20.184 17.833 6.531 1.00 11.54 C ATOM 316 OE1 GLU A 20 -20.731 17.831 5.409 1.00 40.45 O ATOM 317 OE2 GLU A 20 -19.305 18.655 6.864 1.00 41.43 O ATOM 0 H GLU A 20 -20.664 15.106 8.977 1.00 64.13 H new ATOM 0 HA GLU A 20 -22.926 16.462 10.041 1.00 22.12 H new ATOM 0 HB2 GLU A 20 -22.477 17.797 7.789 1.00 13.30 H new ATOM 0 HB3 GLU A 20 -21.397 17.936 9.162 1.00 13.30 H new ATOM 0 HG2 GLU A 20 -19.762 16.535 8.179 1.00 64.12 H new ATOM 0 HG3 GLU A 20 -20.893 15.873 7.015 1.00 64.12 H new ATOM 324 N ALA A 21 -23.343 14.655 7.342 1.00 33.24 N ATOM 325 CA ALA A 21 -24.344 14.095 6.442 1.00 1.41 C ATOM 326 C ALA A 21 -25.426 13.352 7.218 1.00 52.41 C ATOM 327 O ALA A 21 -26.618 13.588 7.019 1.00 53.32 O ATOM 328 CB ALA A 21 -23.685 13.168 5.432 1.00 71.03 C ATOM 0 H ALA A 21 -22.409 14.259 7.234 1.00 33.24 H new ATOM 0 HA ALA A 21 -24.818 14.918 5.908 1.00 1.41 H new ATOM 0 HB1 ALA A 21 -24.444 12.757 4.766 1.00 71.03 H new ATOM 0 HB2 ALA A 21 -22.954 13.727 4.848 1.00 71.03 H new ATOM 0 HB3 ALA A 21 -23.184 12.355 5.957 1.00 71.03 H new ATOM 334 N ILE A 22 -25.004 12.454 8.101 1.00 4.43 N ATOM 335 CA ILE A 22 -25.938 11.678 8.907 1.00 64.43 C ATOM 336 C ILE A 22 -26.539 12.526 10.022 1.00 21.33 C ATOM 337 O ILE A 22 -27.701 12.353 10.390 1.00 70.33 O ATOM 338 CB ILE A 22 -25.256 10.443 9.526 1.00 5.52 C ATOM 339 CG1 ILE A 22 -25.191 9.304 8.507 1.00 42.10 C ATOM 340 CG2 ILE A 22 -25.998 10.000 10.778 1.00 53.32 C ATOM 341 CD1 ILE A 22 -25.010 9.778 7.082 1.00 62.21 C ATOM 0 H ILE A 22 -24.021 12.246 8.277 1.00 4.43 H new ATOM 0 HA ILE A 22 -26.732 11.347 8.238 1.00 64.43 H new ATOM 0 HB ILE A 22 -24.238 10.712 9.807 1.00 5.52 H new ATOM 0 HG12 ILE A 22 -24.367 8.640 8.768 1.00 42.10 H new ATOM 0 HG13 ILE A 22 -26.107 8.716 8.572 1.00 42.10 H new ATOM 0 HG21 ILE A 22 -25.504 9.127 11.204 1.00 53.32 H new ATOM 0 HG22 ILE A 22 -25.996 10.810 11.508 1.00 53.32 H new ATOM 0 HG23 ILE A 22 -27.026 9.746 10.521 1.00 53.32 H new ATOM 0 HD11 ILE A 22 -24.972 8.917 6.414 1.00 62.21 H new ATOM 0 HD12 ILE A 22 -25.847 10.418 6.802 1.00 62.21 H new ATOM 0 HD13 ILE A 22 -24.080 10.341 7.001 1.00 62.21 H new ATOM 353 N ARG A 23 -25.740 13.444 10.556 1.00 30.00 N ATOM 354 CA ARG A 23 -26.193 14.320 11.629 1.00 14.25 C ATOM 355 C ARG A 23 -27.497 15.017 11.249 1.00 64.31 C ATOM 356 O ARG A 23 -28.361 15.245 12.096 1.00 64.54 O ATOM 357 CB ARG A 23 -25.121 15.362 11.953 1.00 13.31 C ATOM 358 CG ARG A 23 -24.226 14.974 13.118 1.00 31.44 C ATOM 359 CD ARG A 23 -22.798 15.450 12.907 1.00 64.04 C ATOM 360 NE ARG A 23 -22.361 16.358 13.964 1.00 61.30 N ATOM 361 CZ ARG A 23 -22.828 17.593 14.111 1.00 25.35 C ATOM 362 NH1 ARG A 23 -23.741 18.064 13.274 1.00 43.31 N ATOM 363 NH2 ARG A 23 -22.381 18.358 15.099 1.00 41.52 N ATOM 0 H ARG A 23 -24.776 13.600 10.263 1.00 30.00 H new ATOM 0 HA ARG A 23 -26.373 13.707 12.512 1.00 14.25 H new ATOM 0 HB2 ARG A 23 -24.503 15.522 11.069 1.00 13.31 H new ATOM 0 HB3 ARG A 23 -25.606 16.312 12.179 1.00 13.31 H new ATOM 0 HG2 ARG A 23 -24.621 15.402 14.039 1.00 31.44 H new ATOM 0 HG3 ARG A 23 -24.235 13.891 13.240 1.00 31.44 H new ATOM 0 HD2 ARG A 23 -22.131 14.589 12.870 1.00 64.04 H new ATOM 0 HD3 ARG A 23 -22.722 15.953 11.943 1.00 64.04 H new ATOM 0 HE ARG A 23 -21.659 16.026 14.625 1.00 61.30 H new ATOM 0 HH11 ARG A 23 -24.087 17.478 12.514 1.00 43.31 H new ATOM 0 HH12 ARG A 23 -24.098 19.013 13.389 1.00 43.31 H new ATOM 0 HH21 ARG A 23 -21.679 17.998 15.745 1.00 41.52 H new ATOM 0 HH22 ARG A 23 -22.739 19.306 15.212 1.00 41.52 H new ATOM 377 N SER A 24 -27.630 15.353 9.970 1.00 74.21 N ATOM 378 CA SER A 24 -28.826 16.027 9.478 1.00 41.33 C ATOM 379 C SER A 24 -30.034 15.097 9.527 1.00 22.31 C ATOM 380 O SER A 24 -31.172 15.546 9.669 1.00 25.13 O ATOM 381 CB SER A 24 -28.606 16.521 8.046 1.00 30.34 C ATOM 382 OG SER A 24 -28.563 17.936 7.996 1.00 44.21 O ATOM 0 H SER A 24 -26.925 15.170 9.256 1.00 74.21 H new ATOM 0 HA SER A 24 -29.022 16.882 10.124 1.00 41.33 H new ATOM 0 HB2 SER A 24 -27.674 16.112 7.656 1.00 30.34 H new ATOM 0 HB3 SER A 24 -29.408 16.155 7.405 1.00 30.34 H new ATOM 0 HG SER A 24 -28.420 18.226 7.071 1.00 44.21 H new ATOM 388 N ILE A 25 -29.778 13.798 9.409 1.00 44.34 N ATOM 389 CA ILE A 25 -30.843 12.804 9.441 1.00 61.04 C ATOM 390 C ILE A 25 -31.207 12.434 10.875 1.00 40.44 C ATOM 391 O ILE A 25 -32.384 12.356 11.227 1.00 52.13 O ATOM 392 CB ILE A 25 -30.444 11.526 8.679 1.00 44.42 C ATOM 393 CG1 ILE A 25 -30.106 11.859 7.224 1.00 72.52 C ATOM 394 CG2 ILE A 25 -31.562 10.497 8.747 1.00 11.53 C ATOM 395 CD1 ILE A 25 -28.827 11.214 6.738 1.00 3.40 C ATOM 0 H ILE A 25 -28.842 13.410 9.290 1.00 44.34 H new ATOM 0 HA ILE A 25 -31.708 13.253 8.953 1.00 61.04 H new ATOM 0 HB ILE A 25 -29.558 11.101 9.150 1.00 44.42 H new ATOM 0 HG12 ILE A 25 -30.930 11.539 6.586 1.00 72.52 H new ATOM 0 HG13 ILE A 25 -30.021 12.940 7.117 1.00 72.52 H new ATOM 0 HG21 ILE A 25 -31.264 9.600 8.204 1.00 11.53 H new ATOM 0 HG22 ILE A 25 -31.759 10.242 9.788 1.00 11.53 H new ATOM 0 HG23 ILE A 25 -32.465 10.910 8.298 1.00 11.53 H new ATOM 0 HD11 ILE A 25 -28.650 11.494 5.699 1.00 3.40 H new ATOM 0 HD12 ILE A 25 -27.993 11.553 7.352 1.00 3.40 H new ATOM 0 HD13 ILE A 25 -28.915 10.130 6.812 1.00 3.40 H new ATOM 407 N TYR A 26 -30.189 12.210 11.698 1.00 34.02 N ATOM 408 CA TYR A 26 -30.402 11.848 13.095 1.00 42.24 C ATOM 409 C TYR A 26 -30.073 13.018 14.017 1.00 45.13 C ATOM 410 O TYR A 26 -29.813 12.832 15.205 1.00 15.13 O ATOM 411 CB TYR A 26 -29.546 10.636 13.465 1.00 23.20 C ATOM 412 CG TYR A 26 -29.946 9.369 12.744 1.00 73.31 C ATOM 413 CD1 TYR A 26 -31.261 8.920 12.766 1.00 72.14 C ATOM 414 CD2 TYR A 26 -29.010 8.620 12.042 1.00 71.22 C ATOM 415 CE1 TYR A 26 -31.632 7.762 12.109 1.00 42.42 C ATOM 416 CE2 TYR A 26 -29.372 7.462 11.381 1.00 60.01 C ATOM 417 CZ TYR A 26 -30.684 7.037 11.417 1.00 2.35 C ATOM 418 OH TYR A 26 -31.048 5.884 10.762 1.00 61.34 O ATOM 0 H TYR A 26 -29.209 12.272 11.423 1.00 34.02 H new ATOM 0 HA TYR A 26 -31.454 11.594 13.222 1.00 42.24 H new ATOM 0 HB2 TYR A 26 -28.502 10.857 13.241 1.00 23.20 H new ATOM 0 HB3 TYR A 26 -29.613 10.469 14.540 1.00 23.20 H new ATOM 0 HD1 TYR A 26 -32.006 9.486 13.306 1.00 72.14 H new ATOM 0 HD2 TYR A 26 -27.982 8.949 12.012 1.00 71.22 H new ATOM 0 HE1 TYR A 26 -32.658 7.427 12.137 1.00 42.42 H new ATOM 0 HE2 TYR A 26 -28.632 6.892 10.839 1.00 60.01 H new ATOM 0 HH TYR A 26 -30.469 5.754 9.982 1.00 61.34 H new ATOM 428 N MET A 27 -30.086 14.224 13.459 1.00 45.40 N ATOM 429 CA MET A 27 -29.790 15.426 14.231 1.00 73.02 C ATOM 430 C MET A 27 -30.289 15.287 15.666 1.00 73.25 C ATOM 431 O MET A 27 -29.577 15.614 16.615 1.00 50.32 O ATOM 432 CB MET A 27 -30.429 16.650 13.573 1.00 53.42 C ATOM 433 CG MET A 27 -31.798 16.373 12.973 1.00 60.14 C ATOM 434 SD MET A 27 -33.137 16.613 14.156 1.00 40.10 S ATOM 435 CE MET A 27 -34.130 15.155 13.844 1.00 51.50 C ATOM 0 H MET A 27 -30.298 14.395 12.476 1.00 45.40 H new ATOM 0 HA MET A 27 -28.708 15.557 14.252 1.00 73.02 H new ATOM 0 HB2 MET A 27 -30.520 17.444 14.314 1.00 53.42 H new ATOM 0 HB3 MET A 27 -29.766 17.019 12.790 1.00 53.42 H new ATOM 0 HG2 MET A 27 -31.954 17.028 12.116 1.00 60.14 H new ATOM 0 HG3 MET A 27 -31.827 15.349 12.601 1.00 60.14 H new ATOM 0 HE1 MET A 27 -34.950 15.113 14.561 1.00 51.50 H new ATOM 0 HE2 MET A 27 -34.534 15.200 12.833 1.00 51.50 H new ATOM 0 HE3 MET A 27 -33.511 14.264 13.948 1.00 51.50 H new ATOM 445 N ASP A 28 -31.516 14.800 15.816 1.00 70.12 N ATOM 446 CA ASP A 28 -32.110 14.617 17.135 1.00 23.22 C ATOM 447 C ASP A 28 -31.722 13.263 17.723 1.00 43.54 C ATOM 448 O ASP A 28 -31.602 13.115 18.939 1.00 71.11 O ATOM 449 CB ASP A 28 -33.633 14.734 17.053 1.00 25.43 C ATOM 450 CG ASP A 28 -34.301 14.537 18.400 1.00 74.35 C ATOM 451 OD1 ASP A 28 -34.239 15.464 19.235 1.00 73.55 O ATOM 452 OD2 ASP A 28 -34.888 13.456 18.618 1.00 42.22 O ATOM 0 H ASP A 28 -32.119 14.525 15.040 1.00 70.12 H new ATOM 0 HA ASP A 28 -31.728 15.400 17.790 1.00 23.22 H new ATOM 0 HB2 ASP A 28 -33.899 15.715 16.659 1.00 25.43 H new ATOM 0 HB3 ASP A 28 -34.014 13.994 16.350 1.00 25.43 H new ATOM 457 N ASP A 29 -31.528 12.280 16.851 1.00 22.22 N ATOM 458 CA ASP A 29 -31.153 10.938 17.283 1.00 14.33 C ATOM 459 C ASP A 29 -29.669 10.684 17.043 1.00 44.45 C ATOM 460 O ASP A 29 -29.270 9.582 16.665 1.00 4.45 O ATOM 461 CB ASP A 29 -31.989 9.890 16.546 1.00 3.32 C ATOM 462 CG ASP A 29 -33.264 9.540 17.288 1.00 42.11 C ATOM 463 OD1 ASP A 29 -33.895 10.459 17.850 1.00 10.54 O ATOM 464 OD2 ASP A 29 -33.631 8.347 17.305 1.00 20.20 O ATOM 0 H ASP A 29 -31.624 12.387 15.841 1.00 22.22 H new ATOM 0 HA ASP A 29 -31.347 10.860 18.353 1.00 14.33 H new ATOM 0 HB2 ASP A 29 -32.241 10.263 15.553 1.00 3.32 H new ATOM 0 HB3 ASP A 29 -31.394 8.987 16.406 1.00 3.32 H new ATOM 469 N PHE A 30 -28.855 11.712 17.262 1.00 63.21 N ATOM 470 CA PHE A 30 -27.414 11.601 17.067 1.00 62.11 C ATOM 471 C PHE A 30 -26.680 11.638 18.404 1.00 65.40 C ATOM 472 O PHE A 30 -26.979 12.462 19.268 1.00 10.41 O ATOM 473 CB PHE A 30 -26.911 12.730 16.165 1.00 14.21 C ATOM 474 CG PHE A 30 -25.479 13.105 16.416 1.00 44.04 C ATOM 475 CD1 PHE A 30 -25.145 13.968 17.447 1.00 64.12 C ATOM 476 CD2 PHE A 30 -24.466 12.595 15.619 1.00 21.23 C ATOM 477 CE1 PHE A 30 -23.827 14.315 17.680 1.00 31.43 C ATOM 478 CE2 PHE A 30 -23.147 12.938 15.848 1.00 22.53 C ATOM 479 CZ PHE A 30 -22.827 13.799 16.879 1.00 10.42 C ATOM 0 H PHE A 30 -29.169 12.631 17.574 1.00 63.21 H new ATOM 0 HA PHE A 30 -27.210 10.644 16.587 1.00 62.11 H new ATOM 0 HB2 PHE A 30 -27.022 12.429 15.123 1.00 14.21 H new ATOM 0 HB3 PHE A 30 -27.539 13.609 16.312 1.00 14.21 H new ATOM 0 HD1 PHE A 30 -25.923 14.374 18.076 1.00 64.12 H new ATOM 0 HD2 PHE A 30 -24.710 11.922 14.810 1.00 21.23 H new ATOM 0 HE1 PHE A 30 -23.580 14.989 18.487 1.00 31.43 H new ATOM 0 HE2 PHE A 30 -22.367 12.533 15.221 1.00 22.53 H new ATOM 0 HZ PHE A 30 -21.797 14.068 17.059 1.00 10.42 H new ATOM 489 N THR A 31 -25.716 10.737 18.568 1.00 24.11 N ATOM 490 CA THR A 31 -24.939 10.664 19.799 1.00 31.03 C ATOM 491 C THR A 31 -23.474 10.998 19.546 1.00 64.04 C ATOM 492 O THR A 31 -22.854 10.460 18.628 1.00 72.50 O ATOM 493 CB THR A 31 -25.032 9.266 20.440 1.00 1.30 C ATOM 494 OG1 THR A 31 -26.404 8.909 20.640 1.00 51.12 O ATOM 495 CG2 THR A 31 -24.295 9.231 21.770 1.00 25.31 C ATOM 0 H THR A 31 -25.455 10.047 17.863 1.00 24.11 H new ATOM 0 HA THR A 31 -25.363 11.399 20.484 1.00 31.03 H new ATOM 0 HB THR A 31 -24.565 8.549 19.765 1.00 1.30 H new ATOM 0 HG1 THR A 31 -26.454 8.019 21.046 1.00 51.12 H new ATOM 0 HG21 THR A 31 -24.374 8.234 22.204 1.00 25.31 H new ATOM 0 HG22 THR A 31 -23.245 9.475 21.610 1.00 25.31 H new ATOM 0 HG23 THR A 31 -24.737 9.959 22.450 1.00 25.31 H new ATOM 503 N ASP A 32 -22.924 11.888 20.364 1.00 14.33 N ATOM 504 CA ASP A 32 -21.530 12.293 20.230 1.00 62.14 C ATOM 505 C ASP A 32 -20.671 11.655 21.317 1.00 34.04 C ATOM 506 O ASP A 32 -20.846 11.934 22.504 1.00 1.34 O ATOM 507 CB ASP A 32 -21.410 13.816 20.296 1.00 42.24 C ATOM 508 CG ASP A 32 -20.120 14.267 20.953 1.00 14.40 C ATOM 509 OD1 ASP A 32 -19.046 14.073 20.347 1.00 53.43 O ATOM 510 OD2 ASP A 32 -20.185 14.814 22.074 1.00 33.24 O ATOM 0 H ASP A 32 -23.423 12.343 21.128 1.00 14.33 H new ATOM 0 HA ASP A 32 -21.170 11.950 19.260 1.00 62.14 H new ATOM 0 HB2 ASP A 32 -21.463 14.226 19.287 1.00 42.24 H new ATOM 0 HB3 ASP A 32 -22.257 14.221 20.850 1.00 42.24 H new ATOM 515 N LEU A 33 -19.745 10.797 20.905 1.00 31.45 N ATOM 516 CA LEU A 33 -18.859 10.117 21.845 1.00 54.51 C ATOM 517 C LEU A 33 -17.401 10.467 21.568 1.00 2.53 C ATOM 518 O LEU A 33 -16.491 9.939 22.208 1.00 33.55 O ATOM 519 CB LEU A 33 -19.058 8.603 21.759 1.00 5.13 C ATOM 520 CG LEU A 33 -18.940 7.989 20.364 1.00 21.41 C ATOM 521 CD1 LEU A 33 -17.613 8.366 19.725 1.00 42.44 C ATOM 522 CD2 LEU A 33 -19.089 6.476 20.433 1.00 31.23 C ATOM 0 H LEU A 33 -19.587 10.555 19.927 1.00 31.45 H new ATOM 0 HA LEU A 33 -19.109 10.453 22.851 1.00 54.51 H new ATOM 0 HB2 LEU A 33 -18.326 8.123 22.409 1.00 5.13 H new ATOM 0 HB3 LEU A 33 -20.044 8.363 22.158 1.00 5.13 H new ATOM 0 HG LEU A 33 -19.744 8.386 19.744 1.00 21.41 H new ATOM 0 HD11 LEU A 33 -17.547 7.920 18.733 1.00 42.44 H new ATOM 0 HD12 LEU A 33 -17.545 9.451 19.640 1.00 42.44 H new ATOM 0 HD13 LEU A 33 -16.794 7.998 20.343 1.00 42.44 H new ATOM 0 HD21 LEU A 33 -19.002 6.056 19.431 1.00 31.23 H new ATOM 0 HD22 LEU A 33 -18.307 6.062 21.069 1.00 31.23 H new ATOM 0 HD23 LEU A 33 -20.065 6.225 20.848 1.00 31.23 H new ATOM 534 N THR A 34 -17.184 11.364 20.611 1.00 1.53 N ATOM 535 CA THR A 34 -15.836 11.786 20.250 1.00 14.45 C ATOM 536 C THR A 34 -15.199 12.605 21.367 1.00 21.14 C ATOM 537 O THR A 34 -15.777 13.583 21.842 1.00 23.12 O ATOM 538 CB THR A 34 -15.837 12.620 18.955 1.00 64.52 C ATOM 539 OG1 THR A 34 -16.856 12.146 18.068 1.00 33.10 O ATOM 540 CG2 THR A 34 -14.483 12.547 18.264 1.00 30.34 C ATOM 0 H THR A 34 -17.925 11.812 20.072 1.00 1.53 H new ATOM 0 HA THR A 34 -15.253 10.879 20.090 1.00 14.45 H new ATOM 0 HB THR A 34 -16.039 13.659 19.218 1.00 64.52 H new ATOM 0 HG1 THR A 34 -16.606 11.263 17.725 1.00 33.10 H new ATOM 0 HG21 THR A 34 -14.507 13.143 17.352 1.00 30.34 H new ATOM 0 HG22 THR A 34 -13.713 12.935 18.931 1.00 30.34 H new ATOM 0 HG23 THR A 34 -14.258 11.510 18.014 1.00 30.34 H new ATOM 548 N LYS A 35 -14.004 12.200 21.783 1.00 23.22 N ATOM 549 CA LYS A 35 -13.285 12.897 22.844 1.00 74.44 C ATOM 550 C LYS A 35 -12.927 14.316 22.416 1.00 12.32 C ATOM 551 O LYS A 35 -11.847 14.558 21.877 1.00 54.24 O ATOM 552 CB LYS A 35 -12.015 12.129 23.217 1.00 51.12 C ATOM 553 CG LYS A 35 -11.130 11.803 22.027 1.00 63.04 C ATOM 554 CD LYS A 35 -10.673 10.354 22.052 1.00 71.13 C ATOM 555 CE LYS A 35 -9.536 10.145 23.040 1.00 33.33 C ATOM 556 NZ LYS A 35 -8.624 9.048 22.613 1.00 72.02 N ATOM 0 H LYS A 35 -13.512 11.392 21.401 1.00 23.22 H new ATOM 0 HA LYS A 35 -13.937 12.953 23.716 1.00 74.44 H new ATOM 0 HB2 LYS A 35 -11.443 12.717 23.935 1.00 51.12 H new ATOM 0 HB3 LYS A 35 -12.295 11.201 23.716 1.00 51.12 H new ATOM 0 HG2 LYS A 35 -11.675 11.998 21.103 1.00 63.04 H new ATOM 0 HG3 LYS A 35 -10.260 12.460 22.029 1.00 63.04 H new ATOM 0 HD2 LYS A 35 -11.512 9.711 22.320 1.00 71.13 H new ATOM 0 HD3 LYS A 35 -10.349 10.056 21.055 1.00 71.13 H new ATOM 0 HE2 LYS A 35 -8.969 11.070 23.141 1.00 33.33 H new ATOM 0 HE3 LYS A 35 -9.947 9.914 24.023 1.00 33.33 H new ATOM 0 HZ1 LYS A 35 -7.754 9.079 23.181 1.00 72.02 H new ATOM 0 HZ2 LYS A 35 -9.095 8.131 22.751 1.00 72.02 H new ATOM 0 HZ3 LYS A 35 -8.385 9.167 21.608 1.00 72.02 H new ATOM 570 N ARG A 36 -13.839 15.251 22.662 1.00 10.32 N ATOM 571 CA ARG A 36 -13.618 16.647 22.303 1.00 74.12 C ATOM 572 C ARG A 36 -13.137 17.449 23.508 1.00 5.11 C ATOM 573 O ARG A 36 -12.031 17.990 23.506 1.00 44.11 O ATOM 574 CB ARG A 36 -14.904 17.262 21.748 1.00 14.32 C ATOM 575 CG ARG A 36 -15.077 17.067 20.251 1.00 44.13 C ATOM 576 CD ARG A 36 -14.060 17.878 19.463 1.00 52.44 C ATOM 577 NE ARG A 36 -14.689 18.666 18.406 1.00 14.31 N ATOM 578 CZ ARG A 36 -15.237 18.134 17.319 1.00 32.24 C ATOM 579 NH1 ARG A 36 -15.233 16.819 17.147 1.00 13.22 N ATOM 580 NH2 ARG A 36 -15.791 18.917 16.402 1.00 22.23 N ATOM 0 H ARG A 36 -14.738 15.067 23.108 1.00 10.32 H new ATOM 0 HA ARG A 36 -12.846 16.681 21.535 1.00 74.12 H new ATOM 0 HB2 ARG A 36 -15.758 16.823 22.264 1.00 14.32 H new ATOM 0 HB3 ARG A 36 -14.911 18.329 21.970 1.00 14.32 H new ATOM 0 HG2 ARG A 36 -14.970 16.010 20.006 1.00 44.13 H new ATOM 0 HG3 ARG A 36 -16.085 17.362 19.958 1.00 44.13 H new ATOM 0 HD2 ARG A 36 -13.523 18.543 20.140 1.00 52.44 H new ATOM 0 HD3 ARG A 36 -13.322 17.206 19.024 1.00 52.44 H new ATOM 0 HE ARG A 36 -14.709 19.681 18.508 1.00 14.31 H new ATOM 0 HH11 ARG A 36 -14.809 16.214 17.850 1.00 13.22 H new ATOM 0 HH12 ARG A 36 -15.654 16.413 16.312 1.00 13.22 H new ATOM 0 HH21 ARG A 36 -15.796 19.929 16.531 1.00 22.23 H new ATOM 0 HH22 ARG A 36 -16.211 18.507 15.568 1.00 22.23 H new ATOM 594 N LYS A 37 -13.974 17.522 24.537 1.00 53.12 N ATOM 595 CA LYS A 37 -13.635 18.257 25.750 1.00 52.04 C ATOM 596 C LYS A 37 -12.144 18.152 26.050 1.00 24.35 C ATOM 597 O LYS A 37 -11.533 17.102 25.851 1.00 70.33 O ATOM 598 CB LYS A 37 -14.444 17.726 26.935 1.00 12.13 C ATOM 599 CG LYS A 37 -15.934 18.002 26.827 1.00 20.42 C ATOM 600 CD LYS A 37 -16.382 19.046 27.835 1.00 14.34 C ATOM 601 CE LYS A 37 -17.275 20.096 27.191 1.00 44.01 C ATOM 602 NZ LYS A 37 -18.366 20.533 28.105 1.00 51.12 N ATOM 0 H LYS A 37 -14.893 17.081 24.555 1.00 53.12 H new ATOM 0 HA LYS A 37 -13.882 19.307 25.591 1.00 52.04 H new ATOM 0 HB2 LYS A 37 -14.287 16.651 27.018 1.00 12.13 H new ATOM 0 HB3 LYS A 37 -14.065 18.175 27.853 1.00 12.13 H new ATOM 0 HG2 LYS A 37 -16.170 18.344 25.819 1.00 20.42 H new ATOM 0 HG3 LYS A 37 -16.489 17.078 26.988 1.00 20.42 H new ATOM 0 HD2 LYS A 37 -16.919 18.560 28.649 1.00 14.34 H new ATOM 0 HD3 LYS A 37 -15.508 19.529 28.273 1.00 14.34 H new ATOM 0 HE2 LYS A 37 -16.673 20.959 26.906 1.00 44.01 H new ATOM 0 HE3 LYS A 37 -17.708 19.692 26.276 1.00 44.01 H new ATOM 0 HZ1 LYS A 37 -18.952 21.248 27.629 1.00 51.12 H new ATOM 0 HZ2 LYS A 37 -18.956 19.715 28.358 1.00 51.12 H new ATOM 0 HZ3 LYS A 37 -17.953 20.942 28.968 1.00 51.12 H new ATOM 616 N SER A 38 -11.563 19.246 26.533 1.00 31.21 N ATOM 617 CA SER A 38 -10.142 19.277 26.859 1.00 32.44 C ATOM 618 C SER A 38 -9.849 18.422 28.089 1.00 45.22 C ATOM 619 O SER A 38 -10.761 18.009 28.804 1.00 54.03 O ATOM 620 CB SER A 38 -9.685 20.716 27.103 1.00 25.15 C ATOM 621 OG SER A 38 -8.292 20.853 26.882 1.00 64.41 O ATOM 0 H SER A 38 -12.055 20.123 26.707 1.00 31.21 H new ATOM 0 HA SER A 38 -9.590 18.867 26.013 1.00 32.44 H new ATOM 0 HB2 SER A 38 -10.229 21.391 26.442 1.00 25.15 H new ATOM 0 HB3 SER A 38 -9.925 21.009 28.125 1.00 25.15 H new ATOM 0 HG SER A 38 -8.025 21.782 27.043 1.00 64.41 H new ATOM 627 N SER A 39 -8.567 18.161 28.328 1.00 13.40 N ATOM 628 CA SER A 39 -8.152 17.353 29.468 1.00 3.13 C ATOM 629 C SER A 39 -8.780 15.964 29.407 1.00 2.03 C ATOM 630 O SER A 39 -9.737 15.736 28.667 1.00 23.23 O ATOM 631 CB SER A 39 -8.539 18.043 30.778 1.00 42.23 C ATOM 632 OG SER A 39 -8.280 19.435 30.717 1.00 40.14 O ATOM 0 H SER A 39 -7.799 18.497 27.747 1.00 13.40 H new ATOM 0 HA SER A 39 -7.068 17.245 29.429 1.00 3.13 H new ATOM 0 HB2 SER A 39 -9.596 17.875 30.982 1.00 42.23 H new ATOM 0 HB3 SER A 39 -7.981 17.602 31.604 1.00 42.23 H new ATOM 0 HG SER A 39 -8.537 19.853 31.565 1.00 40.14 H new ATOM 638 N TRP A 40 -8.234 15.040 30.190 1.00 12.42 N ATOM 639 CA TRP A 40 -8.740 13.673 30.226 1.00 74.02 C ATOM 640 C TRP A 40 -8.254 12.881 29.017 1.00 31.12 C ATOM 641 O TRP A 40 -7.868 11.718 29.140 1.00 52.21 O ATOM 642 CB TRP A 40 -10.269 13.674 30.269 1.00 53.32 C ATOM 643 CG TRP A 40 -10.898 13.026 29.072 1.00 3.14 C ATOM 644 CD1 TRP A 40 -11.670 13.632 28.123 1.00 11.00 C ATOM 645 CD2 TRP A 40 -10.808 11.647 28.699 1.00 33.32 C ATOM 646 NE1 TRP A 40 -12.066 12.712 27.182 1.00 14.42 N ATOM 647 CE2 TRP A 40 -11.550 11.487 27.512 1.00 12.34 C ATOM 648 CE3 TRP A 40 -10.172 10.531 29.251 1.00 53.33 C ATOM 649 CZ2 TRP A 40 -11.673 10.258 26.871 1.00 23.40 C ATOM 650 CZ3 TRP A 40 -10.295 9.312 28.613 1.00 32.51 C ATOM 651 CH2 TRP A 40 -11.040 9.182 27.433 1.00 2.51 C ATOM 0 H TRP A 40 -7.441 15.213 30.808 1.00 12.42 H new ATOM 0 HA TRP A 40 -8.359 13.195 31.128 1.00 74.02 H new ATOM 0 HB2 TRP A 40 -10.600 13.156 31.169 1.00 53.32 H new ATOM 0 HB3 TRP A 40 -10.622 14.702 30.344 1.00 53.32 H new ATOM 0 HD1 TRP A 40 -11.931 14.680 28.113 1.00 11.00 H new ATOM 0 HE1 TRP A 40 -12.650 12.910 26.369 1.00 14.42 H new ATOM 0 HE3 TRP A 40 -9.595 10.620 30.160 1.00 53.33 H new ATOM 0 HZ2 TRP A 40 -12.248 10.157 25.962 1.00 23.40 H new ATOM 0 HZ3 TRP A 40 -9.808 8.443 29.031 1.00 32.51 H new ATOM 0 HH2 TRP A 40 -11.116 8.215 26.958 1.00 2.51 H new ATOM 662 N ASP A 41 -8.275 13.517 27.851 1.00 20.12 N ATOM 663 CA ASP A 41 -7.835 12.871 26.620 1.00 5.10 C ATOM 664 C ASP A 41 -7.933 13.830 25.438 1.00 51.31 C ATOM 665 O ASP A 41 -8.806 14.697 25.399 1.00 13.50 O ATOM 666 CB ASP A 41 -8.670 11.619 26.348 1.00 15.42 C ATOM 667 CG ASP A 41 -7.923 10.593 25.520 1.00 30.44 C ATOM 668 OD1 ASP A 41 -7.192 10.997 24.593 1.00 43.41 O ATOM 669 OD2 ASP A 41 -8.070 9.384 25.799 1.00 11.05 O ATOM 0 H ASP A 41 -8.592 14.479 27.732 1.00 20.12 H new ATOM 0 HA ASP A 41 -6.792 12.581 26.744 1.00 5.10 H new ATOM 0 HB2 ASP A 41 -8.966 11.170 27.296 1.00 15.42 H new ATOM 0 HB3 ASP A 41 -9.586 11.902 25.830 1.00 15.42 H new ATOM 674 N LYS A 42 -7.031 13.670 24.475 1.00 33.35 N ATOM 675 CA LYS A 42 -7.015 14.520 23.291 1.00 15.44 C ATOM 676 C LYS A 42 -6.512 13.750 22.075 1.00 54.13 C ATOM 677 O LYS A 42 -5.370 13.921 21.651 1.00 61.25 O ATOM 678 CB LYS A 42 -6.133 15.748 23.532 1.00 75.33 C ATOM 679 CG LYS A 42 -6.332 16.381 24.898 1.00 41.32 C ATOM 680 CD LYS A 42 -5.580 17.696 25.017 1.00 4.13 C ATOM 681 CE LYS A 42 -4.101 17.469 25.292 1.00 10.24 C ATOM 682 NZ LYS A 42 -3.325 18.739 25.234 1.00 63.34 N ATOM 0 H LYS A 42 -6.301 12.958 24.492 1.00 33.35 H new ATOM 0 HA LYS A 42 -8.036 14.846 23.095 1.00 15.44 H new ATOM 0 HB2 LYS A 42 -5.087 15.461 23.423 1.00 75.33 H new ATOM 0 HB3 LYS A 42 -6.341 16.491 22.763 1.00 75.33 H new ATOM 0 HG2 LYS A 42 -7.395 16.552 25.070 1.00 41.32 H new ATOM 0 HG3 LYS A 42 -5.990 15.694 25.672 1.00 41.32 H new ATOM 0 HD2 LYS A 42 -5.696 18.268 24.096 1.00 4.13 H new ATOM 0 HD3 LYS A 42 -6.013 18.293 25.820 1.00 4.13 H new ATOM 0 HE2 LYS A 42 -3.980 17.014 26.275 1.00 10.24 H new ATOM 0 HE3 LYS A 42 -3.700 16.765 24.563 1.00 10.24 H new ATOM 0 HZ1 LYS A 42 -2.322 18.542 25.427 1.00 63.34 H new ATOM 0 HZ2 LYS A 42 -3.420 19.161 24.288 1.00 63.34 H new ATOM 0 HZ3 LYS A 42 -3.691 19.402 25.947 1.00 63.34 H new ATOM 696 N GLN A 43 -7.373 12.904 21.518 1.00 13.21 N ATOM 697 CA GLN A 43 -7.015 12.109 20.350 1.00 40.04 C ATOM 698 C GLN A 43 -8.254 11.491 19.711 1.00 54.22 C ATOM 699 O GLN A 43 -8.421 10.272 19.673 1.00 63.14 O ATOM 700 CB GLN A 43 -6.025 11.009 20.739 1.00 53.53 C ATOM 701 CG GLN A 43 -4.581 11.342 20.399 1.00 55.42 C ATOM 702 CD GLN A 43 -3.662 10.143 20.518 1.00 33.23 C ATOM 703 OE1 GLN A 43 -3.058 9.709 19.537 1.00 4.32 O ATOM 704 NE2 GLN A 43 -3.552 9.599 21.725 1.00 41.12 N ATOM 0 H GLN A 43 -8.323 12.752 21.857 1.00 13.21 H new ATOM 0 HA GLN A 43 -6.545 12.771 19.622 1.00 40.04 H new ATOM 0 HB2 GLN A 43 -6.104 10.823 21.810 1.00 53.53 H new ATOM 0 HB3 GLN A 43 -6.305 10.085 20.234 1.00 53.53 H new ATOM 0 HG2 GLN A 43 -4.532 11.733 19.383 1.00 55.42 H new ATOM 0 HG3 GLN A 43 -4.229 12.132 21.062 1.00 55.42 H new ATOM 0 HE21 GLN A 43 -4.071 9.991 22.510 1.00 41.12 H new ATOM 0 HE22 GLN A 43 -2.948 8.789 21.866 1.00 41.12 H new ATOM 713 N PRO A 44 -9.147 12.351 19.197 1.00 64.33 N ATOM 714 CA PRO A 44 -10.387 11.912 18.550 1.00 63.21 C ATOM 715 C PRO A 44 -10.131 11.225 17.213 1.00 74.23 C ATOM 716 O PRO A 44 -9.058 11.367 16.627 1.00 14.12 O ATOM 717 CB PRO A 44 -11.159 13.217 18.342 1.00 73.23 C ATOM 718 CG PRO A 44 -10.110 14.273 18.285 1.00 13.10 C ATOM 719 CD PRO A 44 -9.013 13.817 19.207 1.00 53.11 C ATOM 0 HA PRO A 44 -10.922 11.175 19.150 1.00 63.21 H new ATOM 0 HB2 PRO A 44 -11.743 13.189 17.422 1.00 73.23 H new ATOM 0 HB3 PRO A 44 -11.858 13.398 19.158 1.00 73.23 H new ATOM 0 HG2 PRO A 44 -9.738 14.399 17.268 1.00 13.10 H new ATOM 0 HG3 PRO A 44 -10.509 15.237 18.600 1.00 13.10 H new ATOM 0 HD2 PRO A 44 -8.032 14.133 18.852 1.00 53.11 H new ATOM 0 HD3 PRO A 44 -9.136 14.225 20.210 1.00 53.11 H new ATOM 727 N GLN A 45 -11.124 10.481 16.736 1.00 71.32 N ATOM 728 CA GLN A 45 -11.005 9.772 15.467 1.00 34.22 C ATOM 729 C GLN A 45 -12.240 9.997 14.600 1.00 23.02 C ATOM 730 O GLN A 45 -12.429 9.324 13.586 1.00 1.23 O ATOM 731 CB GLN A 45 -10.806 8.275 15.712 1.00 45.11 C ATOM 732 CG GLN A 45 -10.791 7.447 14.437 1.00 20.13 C ATOM 733 CD GLN A 45 -10.096 6.111 14.617 1.00 54.40 C ATOM 734 OE1 GLN A 45 -8.930 5.951 14.255 1.00 12.54 O ATOM 735 NE2 GLN A 45 -10.811 5.143 15.178 1.00 2.14 N ATOM 0 H GLN A 45 -12.019 10.354 17.209 1.00 71.32 H new ATOM 0 HA GLN A 45 -10.136 10.166 14.940 1.00 34.22 H new ATOM 0 HB2 GLN A 45 -9.867 8.124 16.245 1.00 45.11 H new ATOM 0 HB3 GLN A 45 -11.603 7.912 16.362 1.00 45.11 H new ATOM 0 HG2 GLN A 45 -11.816 7.278 14.106 1.00 20.13 H new ATOM 0 HG3 GLN A 45 -10.290 8.009 13.649 1.00 20.13 H new ATOM 0 HE21 GLN A 45 -11.774 5.320 15.463 1.00 2.14 H new ATOM 0 HE22 GLN A 45 -10.397 4.222 15.324 1.00 2.14 H new ATOM 744 N ILE A 46 -13.076 10.946 15.006 1.00 52.33 N ATOM 745 CA ILE A 46 -14.292 11.260 14.265 1.00 2.00 C ATOM 746 C ILE A 46 -15.412 10.283 14.608 1.00 43.53 C ATOM 747 O ILE A 46 -16.570 10.503 14.254 1.00 54.35 O ATOM 748 CB ILE A 46 -14.048 11.231 12.745 1.00 40.04 C ATOM 749 CG1 ILE A 46 -14.624 12.488 12.090 1.00 51.14 C ATOM 750 CG2 ILE A 46 -14.662 9.980 12.134 1.00 44.14 C ATOM 751 CD1 ILE A 46 -13.567 13.459 11.611 1.00 31.42 C ATOM 0 H ILE A 46 -12.934 11.511 15.843 1.00 52.33 H new ATOM 0 HA ILE A 46 -14.589 12.267 14.558 1.00 2.00 H new ATOM 0 HB ILE A 46 -12.973 11.210 12.565 1.00 40.04 H new ATOM 0 HG12 ILE A 46 -15.246 12.195 11.244 1.00 51.14 H new ATOM 0 HG13 ILE A 46 -15.274 12.994 12.804 1.00 51.14 H new ATOM 0 HG21 ILE A 46 -14.481 9.974 11.059 1.00 44.14 H new ATOM 0 HG22 ILE A 46 -14.209 9.096 12.583 1.00 44.14 H new ATOM 0 HG23 ILE A 46 -15.736 9.973 12.321 1.00 44.14 H new ATOM 0 HD11 ILE A 46 -14.048 14.326 11.158 1.00 31.42 H new ATOM 0 HD12 ILE A 46 -12.960 13.782 12.456 1.00 31.42 H new ATOM 0 HD13 ILE A 46 -12.931 12.970 10.873 1.00 31.42 H new ATOM 763 N ILE A 47 -15.058 9.206 15.300 1.00 73.20 N ATOM 764 CA ILE A 47 -16.034 8.197 15.693 1.00 13.23 C ATOM 765 C ILE A 47 -17.229 8.833 16.397 1.00 63.33 C ATOM 766 O ILE A 47 -17.101 9.872 17.044 1.00 24.13 O ATOM 767 CB ILE A 47 -15.408 7.140 16.622 1.00 13.34 C ATOM 768 CG1 ILE A 47 -15.064 7.761 17.978 1.00 44.13 C ATOM 769 CG2 ILE A 47 -14.169 6.537 15.979 1.00 5.31 C ATOM 770 CD1 ILE A 47 -13.660 8.321 18.046 1.00 20.24 C ATOM 0 H ILE A 47 -14.103 9.009 15.600 1.00 73.20 H new ATOM 0 HA ILE A 47 -16.371 7.710 14.778 1.00 13.23 H new ATOM 0 HB ILE A 47 -16.134 6.343 16.783 1.00 13.34 H new ATOM 0 HG12 ILE A 47 -15.775 8.558 18.195 1.00 44.13 H new ATOM 0 HG13 ILE A 47 -15.184 7.006 18.755 1.00 44.13 H new ATOM 0 HG21 ILE A 47 -13.738 5.792 16.648 1.00 5.31 H new ATOM 0 HG22 ILE A 47 -14.442 6.063 15.036 1.00 5.31 H new ATOM 0 HG23 ILE A 47 -13.437 7.323 15.792 1.00 5.31 H new ATOM 0 HD11 ILE A 47 -13.485 8.745 19.035 1.00 20.24 H new ATOM 0 HD12 ILE A 47 -12.941 7.523 17.861 1.00 20.24 H new ATOM 0 HD13 ILE A 47 -13.542 9.099 17.292 1.00 20.24 H new ATOM 782 N PHE A 48 -18.390 8.200 16.266 1.00 12.44 N ATOM 783 CA PHE A 48 -19.609 8.703 16.890 1.00 4.23 C ATOM 784 C PHE A 48 -20.669 7.609 16.972 1.00 12.22 C ATOM 785 O PHE A 48 -20.596 6.606 16.263 1.00 12.12 O ATOM 786 CB PHE A 48 -20.153 9.899 16.106 1.00 64.13 C ATOM 787 CG PHE A 48 -20.596 9.551 14.713 1.00 23.34 C ATOM 788 CD1 PHE A 48 -19.672 9.170 13.753 1.00 12.31 C ATOM 789 CD2 PHE A 48 -21.936 9.603 14.365 1.00 3.31 C ATOM 790 CE1 PHE A 48 -20.077 8.850 12.471 1.00 13.30 C ATOM 791 CE2 PHE A 48 -22.347 9.284 13.085 1.00 61.04 C ATOM 792 CZ PHE A 48 -21.416 8.906 12.137 1.00 73.03 C ATOM 0 H PHE A 48 -18.513 7.338 15.734 1.00 12.44 H new ATOM 0 HA PHE A 48 -19.364 9.023 17.903 1.00 4.23 H new ATOM 0 HB2 PHE A 48 -20.995 10.327 16.650 1.00 64.13 H new ATOM 0 HB3 PHE A 48 -19.383 10.669 16.052 1.00 64.13 H new ATOM 0 HD1 PHE A 48 -18.624 9.123 14.010 1.00 12.31 H new ATOM 0 HD2 PHE A 48 -22.668 9.896 15.103 1.00 3.31 H new ATOM 0 HE1 PHE A 48 -19.347 8.556 11.731 1.00 13.30 H new ATOM 0 HE2 PHE A 48 -23.394 9.330 12.826 1.00 61.04 H new ATOM 0 HZ PHE A 48 -21.735 8.655 11.136 1.00 73.03 H new ATOM 802 N GLU A 49 -21.653 7.811 17.843 1.00 52.22 N ATOM 803 CA GLU A 49 -22.728 6.841 18.019 1.00 41.35 C ATOM 804 C GLU A 49 -24.052 7.397 17.501 1.00 22.34 C ATOM 805 O GLU A 49 -24.208 8.607 17.340 1.00 14.43 O ATOM 806 CB GLU A 49 -22.864 6.459 19.494 1.00 40.31 C ATOM 807 CG GLU A 49 -22.184 5.148 19.848 1.00 21.42 C ATOM 808 CD GLU A 49 -21.847 5.045 21.323 1.00 33.32 C ATOM 809 OE1 GLU A 49 -22.531 5.702 22.136 1.00 71.34 O ATOM 810 OE2 GLU A 49 -20.900 4.306 21.665 1.00 44.43 O ATOM 0 H GLU A 49 -21.728 8.637 18.437 1.00 52.22 H new ATOM 0 HA GLU A 49 -22.478 5.950 17.443 1.00 41.35 H new ATOM 0 HB2 GLU A 49 -22.441 7.255 20.107 1.00 40.31 H new ATOM 0 HB3 GLU A 49 -23.922 6.390 19.747 1.00 40.31 H new ATOM 0 HG2 GLU A 49 -22.834 4.319 19.569 1.00 21.42 H new ATOM 0 HG3 GLU A 49 -21.270 5.047 19.262 1.00 21.42 H new ATOM 817 N ILE A 50 -25.001 6.503 17.243 1.00 43.22 N ATOM 818 CA ILE A 50 -26.311 6.903 16.745 1.00 43.44 C ATOM 819 C ILE A 50 -27.420 6.081 17.391 1.00 23.45 C ATOM 820 O ILE A 50 -27.337 4.854 17.464 1.00 20.12 O ATOM 821 CB ILE A 50 -26.401 6.753 15.215 1.00 72.15 C ATOM 822 CG1 ILE A 50 -25.589 7.850 14.523 1.00 23.14 C ATOM 823 CG2 ILE A 50 -27.853 6.798 14.763 1.00 73.52 C ATOM 824 CD1 ILE A 50 -26.289 9.190 14.490 1.00 1.42 C ATOM 0 H ILE A 50 -24.887 5.497 17.371 1.00 43.22 H new ATOM 0 HA ILE A 50 -26.441 7.953 17.008 1.00 43.44 H new ATOM 0 HB ILE A 50 -25.982 5.786 14.935 1.00 72.15 H new ATOM 0 HG12 ILE A 50 -24.633 7.961 15.035 1.00 23.14 H new ATOM 0 HG13 ILE A 50 -25.369 7.539 13.502 1.00 23.14 H new ATOM 0 HG21 ILE A 50 -27.900 6.691 13.679 1.00 73.52 H new ATOM 0 HG22 ILE A 50 -28.406 5.984 15.233 1.00 73.52 H new ATOM 0 HG23 ILE A 50 -28.295 7.751 15.053 1.00 73.52 H new ATOM 0 HD11 ILE A 50 -25.655 9.919 13.985 1.00 1.42 H new ATOM 0 HD12 ILE A 50 -27.232 9.095 13.952 1.00 1.42 H new ATOM 0 HD13 ILE A 50 -26.485 9.523 15.509 1.00 1.42 H new ATOM 836 N THR A 51 -28.460 6.764 17.860 1.00 62.44 N ATOM 837 CA THR A 51 -29.586 6.097 18.500 1.00 75.21 C ATOM 838 C THR A 51 -30.594 5.605 17.467 1.00 40.32 C ATOM 839 O THR A 51 -31.107 6.386 16.665 1.00 53.44 O ATOM 840 CB THR A 51 -30.302 7.032 19.494 1.00 63.55 C ATOM 841 OG1 THR A 51 -29.349 7.618 20.387 1.00 42.52 O ATOM 842 CG2 THR A 51 -31.351 6.272 20.291 1.00 14.31 C ATOM 0 H THR A 51 -28.545 7.779 17.808 1.00 62.44 H new ATOM 0 HA THR A 51 -29.180 5.243 19.043 1.00 75.21 H new ATOM 0 HB THR A 51 -30.799 7.819 18.927 1.00 63.55 H new ATOM 0 HG1 THR A 51 -29.811 8.212 21.015 1.00 42.52 H new ATOM 0 HG21 THR A 51 -31.843 6.952 20.986 1.00 14.31 H new ATOM 0 HG22 THR A 51 -32.091 5.851 19.610 1.00 14.31 H new ATOM 0 HG23 THR A 51 -30.872 5.467 20.849 1.00 14.31 H new ATOM 850 N LEU A 52 -30.874 4.307 17.492 1.00 61.05 N ATOM 851 CA LEU A 52 -31.822 3.711 16.557 1.00 61.23 C ATOM 852 C LEU A 52 -32.964 3.027 17.301 1.00 22.43 C ATOM 853 O LEU A 52 -32.874 2.780 18.504 1.00 11.11 O ATOM 854 CB LEU A 52 -31.111 2.702 15.652 1.00 0.44 C ATOM 855 CG LEU A 52 -30.239 3.293 14.544 1.00 54.15 C ATOM 856 CD1 LEU A 52 -29.645 2.187 13.686 1.00 43.02 C ATOM 857 CD2 LEU A 52 -31.047 4.258 13.688 1.00 43.42 C ATOM 0 H LEU A 52 -30.458 3.647 18.149 1.00 61.05 H new ATOM 0 HA LEU A 52 -32.239 4.509 15.943 1.00 61.23 H new ATOM 0 HB2 LEU A 52 -30.487 2.062 16.275 1.00 0.44 H new ATOM 0 HB3 LEU A 52 -31.864 2.063 15.192 1.00 0.44 H new ATOM 0 HG LEU A 52 -29.421 3.845 15.007 1.00 54.15 H new ATOM 0 HD11 LEU A 52 -29.027 2.626 12.903 1.00 43.02 H new ATOM 0 HD12 LEU A 52 -29.033 1.534 14.307 1.00 43.02 H new ATOM 0 HD13 LEU A 52 -30.449 1.607 13.232 1.00 43.02 H new ATOM 0 HD21 LEU A 52 -30.411 4.669 12.904 1.00 43.42 H new ATOM 0 HD22 LEU A 52 -31.885 3.728 13.235 1.00 43.42 H new ATOM 0 HD23 LEU A 52 -31.425 5.068 14.311 1.00 43.42 H new ATOM 869 N ARG A 53 -34.036 2.721 16.578 1.00 62.42 N ATOM 870 CA ARG A 53 -35.195 2.064 17.170 1.00 70.24 C ATOM 871 C ARG A 53 -36.321 1.925 16.149 1.00 12.34 C ATOM 872 O ARG A 53 -36.319 2.590 15.113 1.00 21.04 O ATOM 873 CB ARG A 53 -35.688 2.850 18.386 1.00 41.23 C ATOM 874 CG ARG A 53 -35.769 4.349 18.149 1.00 13.43 C ATOM 875 CD ARG A 53 -36.339 5.074 19.359 1.00 44.00 C ATOM 876 NE ARG A 53 -35.761 6.405 19.522 1.00 44.44 N ATOM 877 CZ ARG A 53 -35.832 7.105 20.649 1.00 71.05 C ATOM 878 NH1 ARG A 53 -36.453 6.602 21.707 1.00 51.25 N ATOM 879 NH2 ARG A 53 -35.281 8.310 20.719 1.00 52.02 N ATOM 0 H ARG A 53 -34.126 2.918 15.581 1.00 62.42 H new ATOM 0 HA ARG A 53 -34.892 1.067 17.490 1.00 70.24 H new ATOM 0 HB2 ARG A 53 -36.674 2.482 18.671 1.00 41.23 H new ATOM 0 HB3 ARG A 53 -35.021 2.659 19.227 1.00 41.23 H new ATOM 0 HG2 ARG A 53 -34.775 4.737 17.925 1.00 13.43 H new ATOM 0 HG3 ARG A 53 -36.393 4.548 17.277 1.00 13.43 H new ATOM 0 HD2 ARG A 53 -37.421 5.159 19.254 1.00 44.00 H new ATOM 0 HD3 ARG A 53 -36.151 4.485 20.256 1.00 44.00 H new ATOM 0 HE ARG A 53 -35.276 6.820 18.727 1.00 44.44 H new ATOM 0 HH11 ARG A 53 -36.877 5.676 21.657 1.00 51.25 H new ATOM 0 HH12 ARG A 53 -36.506 7.141 22.571 1.00 51.25 H new ATOM 0 HH21 ARG A 53 -34.802 8.700 19.907 1.00 52.02 H new ATOM 0 HH22 ARG A 53 -35.336 8.846 21.585 1.00 52.02 H new ATOM 893 N SER A 54 -37.282 1.057 16.450 1.00 2.22 N ATOM 894 CA SER A 54 -38.412 0.828 15.558 1.00 40.14 C ATOM 895 C SER A 54 -39.208 2.113 15.348 1.00 31.45 C ATOM 896 O SER A 54 -38.685 3.215 15.514 1.00 71.22 O ATOM 897 CB SER A 54 -39.323 -0.263 16.123 1.00 24.43 C ATOM 898 OG SER A 54 -40.003 -0.948 15.086 1.00 71.11 O ATOM 0 H SER A 54 -37.300 0.501 17.305 1.00 2.22 H new ATOM 0 HA SER A 54 -38.021 0.502 14.594 1.00 40.14 H new ATOM 0 HB2 SER A 54 -38.731 -0.971 16.703 1.00 24.43 H new ATOM 0 HB3 SER A 54 -40.048 0.181 16.805 1.00 24.43 H new ATOM 0 HG SER A 54 -40.968 -0.919 15.253 1.00 71.11 H new ATOM 904 N VAL A 55 -40.477 1.962 14.983 1.00 34.14 N ATOM 905 CA VAL A 55 -41.348 3.109 14.752 1.00 24.41 C ATOM 906 C VAL A 55 -42.579 3.054 15.649 1.00 32.41 C ATOM 907 O VAL A 55 -43.207 4.077 15.922 1.00 73.30 O ATOM 908 CB VAL A 55 -41.800 3.182 13.282 1.00 41.53 C ATOM 909 CG1 VAL A 55 -40.632 3.557 12.382 1.00 71.22 C ATOM 910 CG2 VAL A 55 -42.416 1.861 12.847 1.00 13.33 C ATOM 0 H VAL A 55 -40.925 1.057 14.841 1.00 34.14 H new ATOM 0 HA VAL A 55 -40.768 4.000 14.991 1.00 24.41 H new ATOM 0 HB VAL A 55 -42.561 3.958 13.192 1.00 41.53 H new ATOM 0 HG11 VAL A 55 -40.971 3.604 11.347 1.00 71.22 H new ATOM 0 HG12 VAL A 55 -40.241 4.530 12.680 1.00 71.22 H new ATOM 0 HG13 VAL A 55 -39.847 2.807 12.473 1.00 71.22 H new ATOM 0 HG21 VAL A 55 -42.730 1.931 11.805 1.00 13.33 H new ATOM 0 HG22 VAL A 55 -41.679 1.064 12.951 1.00 13.33 H new ATOM 0 HG23 VAL A 55 -43.281 1.640 13.472 1.00 13.33 H new ATOM 920 N ASP A 56 -42.919 1.853 16.105 1.00 3.01 N ATOM 921 CA ASP A 56 -44.075 1.664 16.974 1.00 61.15 C ATOM 922 C ASP A 56 -43.638 1.291 18.387 1.00 41.03 C ATOM 923 O ASP A 56 -42.446 1.268 18.694 1.00 61.40 O ATOM 924 CB ASP A 56 -44.993 0.579 16.407 1.00 2.43 C ATOM 925 CG ASP A 56 -44.250 -0.405 15.525 1.00 55.31 C ATOM 926 OD1 ASP A 56 -43.046 -0.630 15.769 1.00 35.23 O ATOM 927 OD2 ASP A 56 -44.874 -0.950 14.590 1.00 24.14 O ATOM 0 H ASP A 56 -42.411 0.996 15.887 1.00 3.01 H new ATOM 0 HA ASP A 56 -44.622 2.605 17.020 1.00 61.15 H new ATOM 0 HB2 ASP A 56 -45.465 0.041 17.229 1.00 2.43 H new ATOM 0 HB3 ASP A 56 -45.792 1.047 15.832 1.00 2.43 H new ATOM 932 N LYS A 57 -44.611 1.001 19.244 1.00 23.11 N ATOM 933 CA LYS A 57 -44.328 0.629 20.625 1.00 31.23 C ATOM 934 C LYS A 57 -44.826 -0.782 20.921 1.00 31.34 C ATOM 935 O LYS A 57 -44.509 -1.356 21.963 1.00 50.31 O ATOM 936 CB LYS A 57 -44.981 1.624 21.587 1.00 33.10 C ATOM 937 CG LYS A 57 -44.778 3.076 21.190 1.00 20.05 C ATOM 938 CD LYS A 57 -43.352 3.531 21.452 1.00 61.14 C ATOM 939 CE LYS A 57 -43.280 4.494 22.626 1.00 15.44 C ATOM 940 NZ LYS A 57 -43.908 5.807 22.306 1.00 23.44 N ATOM 0 H LYS A 57 -45.603 1.016 19.006 1.00 23.11 H new ATOM 0 HA LYS A 57 -43.248 0.651 20.767 1.00 31.23 H new ATOM 0 HB2 LYS A 57 -46.050 1.417 21.641 1.00 33.10 H new ATOM 0 HB3 LYS A 57 -44.576 1.469 22.587 1.00 33.10 H new ATOM 0 HG2 LYS A 57 -45.013 3.201 20.133 1.00 20.05 H new ATOM 0 HG3 LYS A 57 -45.470 3.707 21.747 1.00 20.05 H new ATOM 0 HD2 LYS A 57 -42.724 2.663 21.653 1.00 61.14 H new ATOM 0 HD3 LYS A 57 -42.953 4.014 20.560 1.00 61.14 H new ATOM 0 HE2 LYS A 57 -43.780 4.053 23.489 1.00 15.44 H new ATOM 0 HE3 LYS A 57 -42.238 4.648 22.906 1.00 15.44 H new ATOM 0 HZ1 LYS A 57 -43.582 6.523 22.987 1.00 23.44 H new ATOM 0 HZ2 LYS A 57 -43.638 6.096 21.344 1.00 23.44 H new ATOM 0 HZ3 LYS A 57 -44.943 5.720 22.363 1.00 23.44 H new ATOM 954 N GLU A 58 -45.606 -1.336 19.998 1.00 50.20 N ATOM 955 CA GLU A 58 -46.146 -2.680 20.162 1.00 74.25 C ATOM 956 C GLU A 58 -45.811 -3.552 18.955 1.00 25.10 C ATOM 957 O GLU A 58 -45.821 -3.101 17.809 1.00 22.24 O ATOM 958 CB GLU A 58 -47.663 -2.624 20.358 1.00 41.04 C ATOM 959 CG GLU A 58 -48.090 -1.824 21.577 1.00 43.44 C ATOM 960 CD GLU A 58 -49.595 -1.794 21.757 1.00 50.30 C ATOM 961 OE1 GLU A 58 -50.133 -2.708 22.415 1.00 24.35 O ATOM 962 OE2 GLU A 58 -50.235 -0.855 21.239 1.00 13.43 O ATOM 0 H GLU A 58 -45.878 -0.875 19.130 1.00 50.20 H new ATOM 0 HA GLU A 58 -45.688 -3.122 21.047 1.00 74.25 H new ATOM 0 HB2 GLU A 58 -48.120 -2.188 19.470 1.00 41.04 H new ATOM 0 HB3 GLU A 58 -48.047 -3.640 20.448 1.00 41.04 H new ATOM 0 HG2 GLU A 58 -47.630 -2.252 22.467 1.00 43.44 H new ATOM 0 HG3 GLU A 58 -47.718 -0.803 21.486 1.00 43.44 H new ATOM 969 N PRO A 59 -45.505 -4.832 19.217 1.00 43.51 N ATOM 970 CA PRO A 59 -45.489 -5.379 20.577 1.00 63.24 C ATOM 971 C PRO A 59 -44.335 -4.831 21.409 1.00 42.31 C ATOM 972 O PRO A 59 -44.208 -5.141 22.593 1.00 30.15 O ATOM 973 CB PRO A 59 -45.317 -6.884 20.351 1.00 15.50 C ATOM 974 CG PRO A 59 -44.642 -6.994 19.028 1.00 43.31 C ATOM 975 CD PRO A 59 -45.150 -5.842 18.206 1.00 54.11 C ATOM 0 HA PRO A 59 -46.389 -5.117 21.132 1.00 63.24 H new ATOM 0 HB2 PRO A 59 -44.717 -7.337 21.140 1.00 15.50 H new ATOM 0 HB3 PRO A 59 -46.279 -7.396 20.348 1.00 15.50 H new ATOM 0 HG2 PRO A 59 -43.559 -6.947 19.138 1.00 43.31 H new ATOM 0 HG3 PRO A 59 -44.873 -7.946 18.550 1.00 43.31 H new ATOM 0 HD2 PRO A 59 -44.389 -5.472 17.519 1.00 54.11 H new ATOM 0 HD3 PRO A 59 -46.012 -6.128 17.603 1.00 54.11 H new ATOM 983 N VAL A 60 -43.495 -4.013 20.782 1.00 51.11 N ATOM 984 CA VAL A 60 -42.352 -3.420 21.465 1.00 11.45 C ATOM 985 C VAL A 60 -41.886 -2.152 20.758 1.00 12.13 C ATOM 986 O VAL A 60 -42.529 -1.682 19.820 1.00 4.41 O ATOM 987 CB VAL A 60 -41.174 -4.408 21.552 1.00 74.53 C ATOM 988 CG1 VAL A 60 -41.611 -5.702 22.222 1.00 10.15 C ATOM 989 CG2 VAL A 60 -40.606 -4.682 20.167 1.00 12.32 C ATOM 0 H VAL A 60 -43.585 -3.746 19.802 1.00 51.11 H new ATOM 0 HA VAL A 60 -42.682 -3.170 22.473 1.00 11.45 H new ATOM 0 HB VAL A 60 -40.389 -3.958 22.160 1.00 74.53 H new ATOM 0 HG11 VAL A 60 -40.766 -6.388 22.275 1.00 10.15 H new ATOM 0 HG12 VAL A 60 -41.968 -5.488 23.229 1.00 10.15 H new ATOM 0 HG13 VAL A 60 -42.413 -6.159 21.643 1.00 10.15 H new ATOM 0 HG21 VAL A 60 -39.774 -5.382 20.247 1.00 12.32 H new ATOM 0 HG22 VAL A 60 -41.382 -5.111 19.534 1.00 12.32 H new ATOM 0 HG23 VAL A 60 -40.254 -3.749 19.727 1.00 12.32 H new ATOM 999 N GLU A 61 -40.764 -1.604 21.215 1.00 34.12 N ATOM 1000 CA GLU A 61 -40.213 -0.390 20.626 1.00 42.23 C ATOM 1001 C GLU A 61 -38.865 -0.669 19.966 1.00 54.20 C ATOM 1002 O GLU A 61 -38.426 0.075 19.089 1.00 62.30 O ATOM 1003 CB GLU A 61 -40.056 0.696 21.693 1.00 63.25 C ATOM 1004 CG GLU A 61 -39.182 1.859 21.253 1.00 31.23 C ATOM 1005 CD GLU A 61 -39.582 3.168 21.906 1.00 72.13 C ATOM 1006 OE1 GLU A 61 -39.748 3.187 23.143 1.00 23.15 O ATOM 1007 OE2 GLU A 61 -39.730 4.173 21.179 1.00 31.33 O ATOM 0 H GLU A 61 -40.220 -1.982 21.991 1.00 34.12 H new ATOM 0 HA GLU A 61 -40.907 -0.040 19.862 1.00 42.23 H new ATOM 0 HB2 GLU A 61 -41.042 1.075 21.962 1.00 63.25 H new ATOM 0 HB3 GLU A 61 -39.629 0.251 22.592 1.00 63.25 H new ATOM 0 HG2 GLU A 61 -38.142 1.639 21.495 1.00 31.23 H new ATOM 0 HG3 GLU A 61 -39.242 1.964 20.170 1.00 31.23 H new ATOM 1014 N SER A 62 -38.215 -1.745 20.395 1.00 23.42 N ATOM 1015 CA SER A 62 -36.915 -2.121 19.850 1.00 34.11 C ATOM 1016 C SER A 62 -35.965 -0.928 19.839 1.00 11.43 C ATOM 1017 O SER A 62 -36.050 -0.060 18.970 1.00 15.14 O ATOM 1018 CB SER A 62 -37.074 -2.674 18.433 1.00 61.15 C ATOM 1019 OG SER A 62 -37.017 -4.090 18.428 1.00 24.00 O ATOM 0 H SER A 62 -38.567 -2.372 21.118 1.00 23.42 H new ATOM 0 HA SER A 62 -36.490 -2.895 20.489 1.00 34.11 H new ATOM 0 HB2 SER A 62 -38.025 -2.344 18.015 1.00 61.15 H new ATOM 0 HB3 SER A 62 -36.288 -2.273 17.793 1.00 61.15 H new ATOM 0 HG SER A 62 -37.123 -4.418 17.511 1.00 24.00 H new ATOM 1025 N SER A 63 -35.060 -0.891 20.812 1.00 64.43 N ATOM 1026 CA SER A 63 -34.095 0.197 20.918 1.00 61.03 C ATOM 1027 C SER A 63 -32.669 -0.343 20.960 1.00 22.43 C ATOM 1028 O SER A 63 -32.327 -1.156 21.820 1.00 2.32 O ATOM 1029 CB SER A 63 -34.373 1.033 22.168 1.00 0.32 C ATOM 1030 OG SER A 63 -33.326 1.959 22.406 1.00 75.30 O ATOM 0 H SER A 63 -34.975 -1.602 21.538 1.00 64.43 H new ATOM 0 HA SER A 63 -34.199 0.829 20.036 1.00 61.03 H new ATOM 0 HB2 SER A 63 -35.316 1.568 22.050 1.00 0.32 H new ATOM 0 HB3 SER A 63 -34.485 0.376 23.031 1.00 0.32 H new ATOM 0 HG SER A 63 -33.528 2.482 23.210 1.00 75.30 H new ATOM 1036 N ILE A 64 -31.842 0.113 20.026 1.00 3.41 N ATOM 1037 CA ILE A 64 -30.453 -0.323 19.957 1.00 45.31 C ATOM 1038 C ILE A 64 -29.543 0.809 19.491 1.00 55.40 C ATOM 1039 O ILE A 64 -29.917 1.607 18.630 1.00 10.12 O ATOM 1040 CB ILE A 64 -30.286 -1.524 19.007 1.00 11.42 C ATOM 1041 CG1 ILE A 64 -31.206 -2.670 19.433 1.00 55.55 C ATOM 1042 CG2 ILE A 64 -28.836 -1.983 18.983 1.00 1.21 C ATOM 1043 CD1 ILE A 64 -31.178 -3.850 18.487 1.00 22.24 C ATOM 0 H ILE A 64 -32.110 0.784 19.306 1.00 3.41 H new ATOM 0 HA ILE A 64 -30.167 -0.624 20.965 1.00 45.31 H new ATOM 0 HB ILE A 64 -30.565 -1.214 18.000 1.00 11.42 H new ATOM 0 HG12 ILE A 64 -30.917 -3.006 20.429 1.00 55.55 H new ATOM 0 HG13 ILE A 64 -32.228 -2.297 19.506 1.00 55.55 H new ATOM 0 HG21 ILE A 64 -28.734 -2.832 18.307 1.00 1.21 H new ATOM 0 HG22 ILE A 64 -28.202 -1.167 18.638 1.00 1.21 H new ATOM 0 HG23 ILE A 64 -28.532 -2.280 19.987 1.00 1.21 H new ATOM 0 HD11 ILE A 64 -31.853 -4.624 18.851 1.00 22.24 H new ATOM 0 HD12 ILE A 64 -31.496 -3.529 17.495 1.00 22.24 H new ATOM 0 HD13 ILE A 64 -30.165 -4.249 18.432 1.00 22.24 H new ATOM 1055 N THR A 65 -28.346 0.873 20.064 1.00 4.42 N ATOM 1056 CA THR A 65 -27.382 1.907 19.708 1.00 40.02 C ATOM 1057 C THR A 65 -26.234 1.329 18.888 1.00 3.24 C ATOM 1058 O THR A 65 -25.503 0.454 19.355 1.00 11.23 O ATOM 1059 CB THR A 65 -26.808 2.596 20.960 1.00 11.02 C ATOM 1060 OG1 THR A 65 -27.873 3.016 21.820 1.00 34.30 O ATOM 1061 CG2 THR A 65 -25.957 3.797 20.575 1.00 32.12 C ATOM 0 H THR A 65 -28.020 0.221 20.777 1.00 4.42 H new ATOM 0 HA THR A 65 -27.917 2.645 19.110 1.00 40.02 H new ATOM 0 HB THR A 65 -26.178 1.878 21.486 1.00 11.02 H new ATOM 0 HG1 THR A 65 -27.499 3.452 22.614 1.00 34.30 H new ATOM 0 HG21 THR A 65 -25.563 4.267 21.476 1.00 32.12 H new ATOM 0 HG22 THR A 65 -25.130 3.470 19.945 1.00 32.12 H new ATOM 0 HG23 THR A 65 -26.568 4.515 20.028 1.00 32.12 H new ATOM 1069 N LEU A 66 -26.079 1.823 17.665 1.00 2.31 N ATOM 1070 CA LEU A 66 -25.017 1.356 16.780 1.00 55.20 C ATOM 1071 C LEU A 66 -23.830 2.314 16.801 1.00 72.42 C ATOM 1072 O LEU A 66 -23.912 3.432 16.292 1.00 12.23 O ATOM 1073 CB LEU A 66 -25.545 1.211 15.352 1.00 61.35 C ATOM 1074 CG LEU A 66 -26.445 0.003 15.088 1.00 11.02 C ATOM 1075 CD1 LEU A 66 -26.966 0.027 13.660 1.00 52.13 C ATOM 1076 CD2 LEU A 66 -25.694 -1.292 15.362 1.00 11.22 C ATOM 0 H LEU A 66 -26.675 2.547 17.263 1.00 2.31 H new ATOM 0 HA LEU A 66 -24.681 0.383 17.138 1.00 55.20 H new ATOM 0 HB2 LEU A 66 -26.099 2.114 15.098 1.00 61.35 H new ATOM 0 HB3 LEU A 66 -24.693 1.159 14.675 1.00 61.35 H new ATOM 0 HG LEU A 66 -27.298 0.055 15.765 1.00 11.02 H new ATOM 0 HD11 LEU A 66 -27.604 -0.840 13.491 1.00 52.13 H new ATOM 0 HD12 LEU A 66 -27.542 0.938 13.498 1.00 52.13 H new ATOM 0 HD13 LEU A 66 -26.126 0.000 12.966 1.00 52.13 H new ATOM 0 HD21 LEU A 66 -26.350 -2.141 15.169 1.00 11.22 H new ATOM 0 HD22 LEU A 66 -24.822 -1.352 14.711 1.00 11.22 H new ATOM 0 HD23 LEU A 66 -25.371 -1.312 16.403 1.00 11.22 H new ATOM 1088 N HIS A 67 -22.726 1.866 17.390 1.00 0.33 N ATOM 1089 CA HIS A 67 -21.520 2.682 17.475 1.00 51.52 C ATOM 1090 C HIS A 67 -20.551 2.338 16.348 1.00 41.02 C ATOM 1091 O HIS A 67 -19.955 1.261 16.336 1.00 64.04 O ATOM 1092 CB HIS A 67 -20.838 2.483 18.829 1.00 42.45 C ATOM 1093 CG HIS A 67 -19.508 3.164 18.935 1.00 61.12 C ATOM 1094 ND1 HIS A 67 -19.155 4.251 18.163 1.00 22.22 N ATOM 1095 CD2 HIS A 67 -18.443 2.907 19.730 1.00 40.01 C ATOM 1096 CE1 HIS A 67 -17.930 4.632 18.478 1.00 63.02 C ATOM 1097 NE2 HIS A 67 -17.475 3.833 19.427 1.00 55.05 N ATOM 0 H HIS A 67 -22.641 0.943 17.815 1.00 0.33 H new ATOM 0 HA HIS A 67 -21.811 3.728 17.374 1.00 51.52 H new ATOM 0 HB2 HIS A 67 -21.493 2.858 19.615 1.00 42.45 H new ATOM 0 HB3 HIS A 67 -20.706 1.416 19.007 1.00 42.45 H new ATOM 0 HD2 HIS A 67 -18.368 2.120 20.466 1.00 40.01 H new ATOM 0 HE1 HIS A 67 -17.392 5.457 18.035 1.00 63.02 H new ATOM 0 HE2 HIS A 67 -16.555 3.894 19.863 1.00 55.05 H new ATOM 1105 N PHE A 68 -20.399 3.259 15.402 1.00 13.22 N ATOM 1106 CA PHE A 68 -19.504 3.052 14.270 1.00 40.32 C ATOM 1107 C PHE A 68 -18.215 3.850 14.443 1.00 41.32 C ATOM 1108 O PHE A 68 -18.236 4.993 14.900 1.00 32.52 O ATOM 1109 CB PHE A 68 -20.195 3.455 12.966 1.00 73.14 C ATOM 1110 CG PHE A 68 -21.671 3.689 13.117 1.00 72.11 C ATOM 1111 CD1 PHE A 68 -22.155 4.935 13.480 1.00 3.54 C ATOM 1112 CD2 PHE A 68 -22.575 2.662 12.895 1.00 11.52 C ATOM 1113 CE1 PHE A 68 -23.512 5.153 13.621 1.00 13.00 C ATOM 1114 CE2 PHE A 68 -23.934 2.874 13.034 1.00 40.21 C ATOM 1115 CZ PHE A 68 -24.403 4.122 13.396 1.00 31.43 C ATOM 0 H PHE A 68 -20.884 4.156 15.397 1.00 13.22 H new ATOM 0 HA PHE A 68 -19.252 1.992 14.227 1.00 40.32 H new ATOM 0 HB2 PHE A 68 -19.729 4.363 12.583 1.00 73.14 H new ATOM 0 HB3 PHE A 68 -20.033 2.675 12.222 1.00 73.14 H new ATOM 0 HD1 PHE A 68 -21.463 5.746 13.655 1.00 3.54 H new ATOM 0 HD2 PHE A 68 -22.214 1.685 12.610 1.00 11.52 H new ATOM 0 HE1 PHE A 68 -23.876 6.129 13.907 1.00 13.00 H new ATOM 0 HE2 PHE A 68 -24.628 2.065 12.860 1.00 40.21 H new ATOM 0 HZ PHE A 68 -25.464 4.291 13.503 1.00 31.43 H new ATOM 1125 N ALA A 69 -17.094 3.239 14.074 1.00 41.31 N ATOM 1126 CA ALA A 69 -15.795 3.892 14.186 1.00 15.14 C ATOM 1127 C ALA A 69 -15.050 3.864 12.857 1.00 63.14 C ATOM 1128 O ALA A 69 -14.910 2.811 12.235 1.00 22.12 O ATOM 1129 CB ALA A 69 -14.964 3.229 15.274 1.00 22.03 C ATOM 0 H ALA A 69 -17.059 2.293 13.695 1.00 41.31 H new ATOM 0 HA ALA A 69 -15.962 4.935 14.456 1.00 15.14 H new ATOM 0 HB1 ALA A 69 -13.997 3.726 15.347 1.00 22.03 H new ATOM 0 HB2 ALA A 69 -15.485 3.307 16.228 1.00 22.03 H new ATOM 0 HB3 ALA A 69 -14.814 2.178 15.028 1.00 22.03 H new ATOM 1135 N MET A 70 -14.574 5.027 12.426 1.00 43.45 N ATOM 1136 CA MET A 70 -13.842 5.135 11.169 1.00 64.21 C ATOM 1137 C MET A 70 -12.338 5.045 11.407 1.00 45.24 C ATOM 1138 O MET A 70 -11.856 5.304 12.510 1.00 1.41 O ATOM 1139 CB MET A 70 -14.181 6.451 10.467 1.00 73.01 C ATOM 1140 CG MET A 70 -15.642 6.850 10.597 1.00 32.05 C ATOM 1141 SD MET A 70 -16.434 7.120 9.000 1.00 1.22 S ATOM 1142 CE MET A 70 -18.163 7.060 9.465 1.00 63.13 C ATOM 0 H MET A 70 -14.682 5.908 12.928 1.00 43.45 H new ATOM 0 HA MET A 70 -14.142 4.304 10.531 1.00 64.21 H new ATOM 0 HB2 MET A 70 -13.558 7.244 10.880 1.00 73.01 H new ATOM 0 HB3 MET A 70 -13.929 6.365 9.410 1.00 73.01 H new ATOM 0 HG2 MET A 70 -16.180 6.072 11.138 1.00 32.05 H new ATOM 0 HG3 MET A 70 -15.714 7.760 11.192 1.00 32.05 H new ATOM 0 HE1 MET A 70 -18.669 6.286 8.887 1.00 63.13 H new ATOM 0 HE2 MET A 70 -18.246 6.832 10.528 1.00 63.13 H new ATOM 0 HE3 MET A 70 -18.628 8.025 9.264 1.00 63.13 H new ATOM 1152 N THR A 71 -11.599 4.676 10.364 1.00 1.35 N ATOM 1153 CA THR A 71 -10.150 4.551 10.461 1.00 51.24 C ATOM 1154 C THR A 71 -9.450 5.620 9.629 1.00 24.23 C ATOM 1155 O THR A 71 -10.044 6.246 8.752 1.00 43.34 O ATOM 1156 CB THR A 71 -9.674 3.162 9.996 1.00 32.21 C ATOM 1157 OG1 THR A 71 -10.676 2.550 9.176 1.00 21.31 O ATOM 1158 CG2 THR A 71 -9.371 2.267 11.188 1.00 33.05 C ATOM 0 H THR A 71 -11.981 4.459 9.443 1.00 1.35 H new ATOM 0 HA THR A 71 -9.890 4.683 11.511 1.00 51.24 H new ATOM 0 HB THR A 71 -8.760 3.291 9.417 1.00 32.21 H new ATOM 0 HG1 THR A 71 -10.735 1.595 9.390 1.00 21.31 H new ATOM 0 HG21 THR A 71 -9.037 1.291 10.835 1.00 33.05 H new ATOM 0 HG22 THR A 71 -8.588 2.721 11.794 1.00 33.05 H new ATOM 0 HG23 THR A 71 -10.271 2.146 11.790 1.00 33.05 H new ATOM 1166 N PRO A 72 -8.156 5.835 9.909 1.00 25.42 N ATOM 1167 CA PRO A 72 -7.346 6.827 9.197 1.00 43.32 C ATOM 1168 C PRO A 72 -7.067 6.420 7.754 1.00 51.52 C ATOM 1169 O PRO A 72 -6.399 7.142 7.014 1.00 60.11 O ATOM 1170 CB PRO A 72 -6.044 6.867 10.002 1.00 53.12 C ATOM 1171 CG PRO A 72 -5.964 5.532 10.658 1.00 10.34 C ATOM 1172 CD PRO A 72 -7.383 5.124 10.942 1.00 12.55 C ATOM 0 HA PRO A 72 -7.851 7.791 9.128 1.00 43.32 H new ATOM 0 HB2 PRO A 72 -5.184 7.043 9.356 1.00 53.12 H new ATOM 0 HB3 PRO A 72 -6.058 7.670 10.739 1.00 53.12 H new ATOM 0 HG2 PRO A 72 -5.472 4.807 10.009 1.00 10.34 H new ATOM 0 HG3 PRO A 72 -5.381 5.584 11.578 1.00 10.34 H new ATOM 0 HD2 PRO A 72 -7.513 4.044 10.869 1.00 12.55 H new ATOM 0 HD3 PRO A 72 -7.691 5.415 11.946 1.00 12.55 H new ATOM 1180 N MET A 73 -7.584 5.261 7.360 1.00 10.05 N ATOM 1181 CA MET A 73 -7.392 4.760 6.005 1.00 63.24 C ATOM 1182 C MET A 73 -8.720 4.690 5.257 1.00 4.12 C ATOM 1183 O MET A 73 -8.757 4.775 4.029 1.00 31.15 O ATOM 1184 CB MET A 73 -6.738 3.377 6.037 1.00 32.11 C ATOM 1185 CG MET A 73 -5.219 3.422 6.035 1.00 42.53 C ATOM 1186 SD MET A 73 -4.507 2.782 4.507 1.00 51.54 S ATOM 1187 CE MET A 73 -5.126 3.973 3.320 1.00 34.21 C ATOM 0 H MET A 73 -8.139 4.651 7.960 1.00 10.05 H new ATOM 0 HA MET A 73 -6.735 5.453 5.479 1.00 63.24 H new ATOM 0 HB2 MET A 73 -7.076 2.845 6.926 1.00 32.11 H new ATOM 0 HB3 MET A 73 -7.077 2.804 5.174 1.00 32.11 H new ATOM 0 HG2 MET A 73 -4.890 4.451 6.182 1.00 42.53 H new ATOM 0 HG3 MET A 73 -4.841 2.843 6.878 1.00 42.53 H new ATOM 0 HE1 MET A 73 -5.660 3.451 2.526 1.00 34.21 H new ATOM 0 HE2 MET A 73 -5.804 4.665 3.819 1.00 34.21 H new ATOM 0 HE3 MET A 73 -4.291 4.528 2.892 1.00 34.21 H new ATOM 1197 N TYR A 74 -9.807 4.535 6.005 1.00 45.01 N ATOM 1198 CA TYR A 74 -11.136 4.451 5.412 1.00 11.24 C ATOM 1199 C TYR A 74 -11.331 5.534 4.356 1.00 51.50 C ATOM 1200 O TYR A 74 -10.734 6.610 4.415 1.00 72.33 O ATOM 1201 CB TYR A 74 -12.209 4.580 6.495 1.00 1.11 C ATOM 1202 CG TYR A 74 -13.457 5.294 6.029 1.00 52.44 C ATOM 1203 CD1 TYR A 74 -13.416 6.631 5.650 1.00 61.43 C ATOM 1204 CD2 TYR A 74 -14.678 4.634 5.968 1.00 61.22 C ATOM 1205 CE1 TYR A 74 -14.554 7.288 5.223 1.00 30.35 C ATOM 1206 CE2 TYR A 74 -15.821 5.282 5.541 1.00 4.44 C ATOM 1207 CZ TYR A 74 -15.754 6.609 5.171 1.00 43.24 C ATOM 1208 OH TYR A 74 -16.890 7.259 4.747 1.00 51.33 O ATOM 0 H TYR A 74 -9.794 4.465 7.023 1.00 45.01 H new ATOM 0 HA TYR A 74 -11.230 3.478 4.930 1.00 11.24 H new ATOM 0 HB2 TYR A 74 -12.480 3.584 6.846 1.00 1.11 H new ATOM 0 HB3 TYR A 74 -11.791 5.116 7.347 1.00 1.11 H new ATOM 0 HD1 TYR A 74 -12.478 7.165 5.690 1.00 61.43 H new ATOM 0 HD2 TYR A 74 -14.735 3.596 6.260 1.00 61.22 H new ATOM 0 HE1 TYR A 74 -14.505 8.327 4.932 1.00 30.35 H new ATOM 0 HE2 TYR A 74 -16.761 4.753 5.497 1.00 4.44 H new ATOM 0 HH TYR A 74 -17.558 6.600 4.464 1.00 51.33 H new ATOM 1218 N PRO A 75 -12.188 5.246 3.365 1.00 31.13 N ATOM 1219 CA PRO A 75 -12.904 3.969 3.285 1.00 41.13 C ATOM 1220 C PRO A 75 -11.977 2.805 2.954 1.00 23.41 C ATOM 1221 O PRO A 75 -12.422 1.665 2.811 1.00 44.51 O ATOM 1222 CB PRO A 75 -13.905 4.195 2.149 1.00 61.21 C ATOM 1223 CG PRO A 75 -13.287 5.255 1.304 1.00 22.22 C ATOM 1224 CD PRO A 75 -12.524 6.143 2.247 1.00 1.53 C ATOM 0 HA PRO A 75 -13.368 3.701 4.234 1.00 41.13 H new ATOM 0 HB2 PRO A 75 -14.070 3.281 1.579 1.00 61.21 H new ATOM 0 HB3 PRO A 75 -14.875 4.511 2.533 1.00 61.21 H new ATOM 0 HG2 PRO A 75 -12.625 4.821 0.555 1.00 22.22 H new ATOM 0 HG3 PRO A 75 -14.049 5.820 0.767 1.00 22.22 H new ATOM 0 HD2 PRO A 75 -11.629 6.553 1.778 1.00 1.53 H new ATOM 0 HD3 PRO A 75 -13.126 6.989 2.578 1.00 1.53 H new ATOM 1232 N TYR A 76 -10.687 3.097 2.834 1.00 4.35 N ATOM 1233 CA TYR A 76 -9.697 2.074 2.519 1.00 42.34 C ATOM 1234 C TYR A 76 -9.408 1.201 3.736 1.00 11.31 C ATOM 1235 O TYR A 76 -8.253 0.899 4.039 1.00 14.14 O ATOM 1236 CB TYR A 76 -8.403 2.723 2.024 1.00 62.54 C ATOM 1237 CG TYR A 76 -7.524 1.787 1.225 1.00 24.42 C ATOM 1238 CD1 TYR A 76 -7.756 1.567 -0.127 1.00 11.22 C ATOM 1239 CD2 TYR A 76 -6.460 1.122 1.823 1.00 4.32 C ATOM 1240 CE1 TYR A 76 -6.956 0.712 -0.860 1.00 2.33 C ATOM 1241 CE2 TYR A 76 -5.653 0.267 1.098 1.00 72.22 C ATOM 1242 CZ TYR A 76 -5.906 0.065 -0.243 1.00 64.31 C ATOM 1243 OH TYR A 76 -5.105 -0.787 -0.970 1.00 13.50 O ATOM 0 H TYR A 76 -10.302 4.034 2.950 1.00 4.35 H new ATOM 0 HA TYR A 76 -10.104 1.441 1.730 1.00 42.34 H new ATOM 0 HB2 TYR A 76 -8.652 3.588 1.409 1.00 62.54 H new ATOM 0 HB3 TYR A 76 -7.841 3.093 2.881 1.00 62.54 H new ATOM 0 HD1 TYR A 76 -8.576 2.073 -0.614 1.00 11.22 H new ATOM 0 HD2 TYR A 76 -6.261 1.277 2.873 1.00 4.32 H new ATOM 0 HE1 TYR A 76 -7.152 0.551 -1.910 1.00 2.33 H new ATOM 0 HE2 TYR A 76 -4.829 -0.240 1.578 1.00 72.22 H new ATOM 0 HH TYR A 76 -4.411 -1.161 -0.387 1.00 13.50 H new ATOM 1253 N THR A 77 -10.467 0.798 4.431 1.00 30.33 N ATOM 1254 CA THR A 77 -10.330 -0.040 5.616 1.00 44.01 C ATOM 1255 C THR A 77 -11.690 -0.509 6.119 1.00 52.33 C ATOM 1256 O THR A 77 -12.721 -0.213 5.515 1.00 0.01 O ATOM 1257 CB THR A 77 -9.605 0.707 6.751 1.00 1.24 C ATOM 1258 OG1 THR A 77 -9.823 2.117 6.628 1.00 73.13 O ATOM 1259 CG2 THR A 77 -8.112 0.416 6.724 1.00 30.14 C ATOM 0 H THR A 77 -11.429 1.038 4.194 1.00 30.33 H new ATOM 0 HA THR A 77 -9.736 -0.906 5.323 1.00 44.01 H new ATOM 0 HB THR A 77 -10.010 0.359 7.701 1.00 1.24 H new ATOM 0 HG1 THR A 77 -10.056 2.490 7.504 1.00 73.13 H new ATOM 0 HG21 THR A 77 -7.622 0.955 7.535 1.00 30.14 H new ATOM 0 HG22 THR A 77 -7.948 -0.654 6.848 1.00 30.14 H new ATOM 0 HG23 THR A 77 -7.696 0.739 5.770 1.00 30.14 H new ATOM 1267 N ALA A 78 -11.686 -1.241 7.228 1.00 42.21 N ATOM 1268 CA ALA A 78 -12.921 -1.748 7.813 1.00 4.13 C ATOM 1269 C ALA A 78 -13.128 -1.197 9.220 1.00 30.20 C ATOM 1270 O ALA A 78 -12.345 -1.454 10.135 1.00 73.10 O ATOM 1271 CB ALA A 78 -12.908 -3.269 7.837 1.00 63.24 C ATOM 0 H ALA A 78 -10.841 -1.496 7.739 1.00 42.21 H new ATOM 0 HA ALA A 78 -13.752 -1.412 7.193 1.00 4.13 H new ATOM 0 HB1 ALA A 78 -13.836 -3.634 8.276 1.00 63.24 H new ATOM 0 HB2 ALA A 78 -12.815 -3.648 6.819 1.00 63.24 H new ATOM 0 HB3 ALA A 78 -12.064 -3.616 8.432 1.00 63.24 H new ATOM 1277 N PRO A 79 -14.207 -0.420 9.399 1.00 22.52 N ATOM 1278 CA PRO A 79 -14.542 0.183 10.692 1.00 22.05 C ATOM 1279 C PRO A 79 -14.996 -0.853 11.715 1.00 13.21 C ATOM 1280 O PRO A 79 -14.792 -2.052 11.529 1.00 12.14 O ATOM 1281 CB PRO A 79 -15.689 1.137 10.352 1.00 50.50 C ATOM 1282 CG PRO A 79 -16.307 0.564 9.123 1.00 3.35 C ATOM 1283 CD PRO A 79 -15.183 -0.072 8.353 1.00 20.12 C ATOM 0 HA PRO A 79 -13.682 0.674 11.148 1.00 22.05 H new ATOM 0 HB2 PRO A 79 -16.410 1.195 11.167 1.00 50.50 H new ATOM 0 HB3 PRO A 79 -15.324 2.149 10.176 1.00 50.50 H new ATOM 0 HG2 PRO A 79 -17.071 -0.171 9.377 1.00 3.35 H new ATOM 0 HG3 PRO A 79 -16.794 1.340 8.533 1.00 3.35 H new ATOM 0 HD2 PRO A 79 -15.518 -0.954 7.807 1.00 20.12 H new ATOM 0 HD3 PRO A 79 -14.759 0.615 7.620 1.00 20.12 H new ATOM 1291 N GLU A 80 -15.613 -0.381 12.794 1.00 33.31 N ATOM 1292 CA GLU A 80 -16.096 -1.268 13.846 1.00 30.30 C ATOM 1293 C GLU A 80 -17.504 -0.876 14.285 1.00 71.44 C ATOM 1294 O GLU A 80 -17.802 0.304 14.468 1.00 11.14 O ATOM 1295 CB GLU A 80 -15.148 -1.235 15.047 1.00 52.02 C ATOM 1296 CG GLU A 80 -15.819 -1.596 16.362 1.00 42.33 C ATOM 1297 CD GLU A 80 -14.968 -2.514 17.217 1.00 34.44 C ATOM 1298 OE1 GLU A 80 -14.403 -3.483 16.667 1.00 54.53 O ATOM 1299 OE2 GLU A 80 -14.868 -2.266 18.437 1.00 51.21 O ATOM 0 H GLU A 80 -15.790 0.609 12.962 1.00 33.31 H new ATOM 0 HA GLU A 80 -16.128 -2.281 13.445 1.00 30.30 H new ATOM 0 HB2 GLU A 80 -14.324 -1.925 14.868 1.00 52.02 H new ATOM 0 HB3 GLU A 80 -14.716 -0.238 15.131 1.00 52.02 H new ATOM 0 HG2 GLU A 80 -16.035 -0.684 16.918 1.00 42.33 H new ATOM 0 HG3 GLU A 80 -16.775 -2.078 16.158 1.00 42.33 H new ATOM 1306 N ILE A 81 -18.365 -1.875 14.449 1.00 13.35 N ATOM 1307 CA ILE A 81 -19.741 -1.635 14.867 1.00 52.14 C ATOM 1308 C ILE A 81 -20.109 -2.496 16.071 1.00 44.54 C ATOM 1309 O ILE A 81 -19.665 -3.637 16.188 1.00 60.33 O ATOM 1310 CB ILE A 81 -20.734 -1.920 13.724 1.00 43.00 C ATOM 1311 CG1 ILE A 81 -20.180 -1.399 12.396 1.00 1.02 C ATOM 1312 CG2 ILE A 81 -22.084 -1.288 14.025 1.00 12.44 C ATOM 1313 CD1 ILE A 81 -19.988 0.101 12.369 1.00 42.24 C ATOM 0 H ILE A 81 -18.134 -2.857 14.299 1.00 13.35 H new ATOM 0 HA ILE A 81 -19.808 -0.582 15.142 1.00 52.14 H new ATOM 0 HB ILE A 81 -20.870 -2.998 13.641 1.00 43.00 H new ATOM 0 HG12 ILE A 81 -19.224 -1.883 12.195 1.00 1.02 H new ATOM 0 HG13 ILE A 81 -20.858 -1.685 11.592 1.00 1.02 H new ATOM 0 HG21 ILE A 81 -22.774 -1.498 13.208 1.00 12.44 H new ATOM 0 HG22 ILE A 81 -22.481 -1.702 14.952 1.00 12.44 H new ATOM 0 HG23 ILE A 81 -21.965 -0.210 14.131 1.00 12.44 H new ATOM 0 HD11 ILE A 81 -19.593 0.400 11.398 1.00 42.24 H new ATOM 0 HD12 ILE A 81 -20.946 0.593 12.538 1.00 42.24 H new ATOM 0 HD13 ILE A 81 -19.287 0.392 13.151 1.00 42.24 H new ATOM 1325 N GLU A 82 -20.923 -1.940 16.962 1.00 13.30 N ATOM 1326 CA GLU A 82 -21.351 -2.658 18.157 1.00 52.21 C ATOM 1327 C GLU A 82 -22.754 -2.228 18.577 1.00 4.53 C ATOM 1328 O GLU A 82 -23.134 -1.068 18.415 1.00 52.04 O ATOM 1329 CB GLU A 82 -20.367 -2.417 19.303 1.00 22.13 C ATOM 1330 CG GLU A 82 -20.793 -1.307 20.249 1.00 52.54 C ATOM 1331 CD GLU A 82 -19.614 -0.551 20.831 1.00 72.23 C ATOM 1332 OE1 GLU A 82 -18.511 -1.133 20.899 1.00 54.34 O ATOM 1333 OE2 GLU A 82 -19.795 0.622 21.218 1.00 12.33 O ATOM 0 H GLU A 82 -21.299 -0.996 16.879 1.00 13.30 H new ATOM 0 HA GLU A 82 -21.371 -3.722 17.923 1.00 52.21 H new ATOM 0 HB2 GLU A 82 -20.250 -3.341 19.870 1.00 22.13 H new ATOM 0 HB3 GLU A 82 -19.390 -2.172 18.886 1.00 22.13 H new ATOM 0 HG2 GLU A 82 -21.440 -0.610 19.717 1.00 52.54 H new ATOM 0 HG3 GLU A 82 -21.383 -1.733 21.061 1.00 52.54 H new ATOM 1340 N PHE A 83 -23.518 -3.170 19.118 1.00 31.32 N ATOM 1341 CA PHE A 83 -24.879 -2.890 19.561 1.00 70.41 C ATOM 1342 C PHE A 83 -24.925 -2.666 21.069 1.00 30.25 C ATOM 1343 O PHE A 83 -24.251 -3.358 21.833 1.00 71.32 O ATOM 1344 CB PHE A 83 -25.810 -4.042 19.176 1.00 31.15 C ATOM 1345 CG PHE A 83 -25.571 -4.569 17.790 1.00 31.14 C ATOM 1346 CD1 PHE A 83 -26.230 -4.019 16.703 1.00 42.13 C ATOM 1347 CD2 PHE A 83 -24.688 -5.615 17.575 1.00 10.13 C ATOM 1348 CE1 PHE A 83 -26.012 -4.501 15.426 1.00 61.23 C ATOM 1349 CE2 PHE A 83 -24.466 -6.101 16.301 1.00 62.02 C ATOM 1350 CZ PHE A 83 -25.129 -5.544 15.225 1.00 74.42 C ATOM 0 H PHE A 83 -23.218 -4.134 19.261 1.00 31.32 H new ATOM 0 HA PHE A 83 -25.216 -1.979 19.066 1.00 70.41 H new ATOM 0 HB2 PHE A 83 -25.684 -4.855 19.892 1.00 31.15 H new ATOM 0 HB3 PHE A 83 -26.844 -3.705 19.255 1.00 31.15 H new ATOM 0 HD1 PHE A 83 -26.922 -3.204 16.855 1.00 42.13 H new ATOM 0 HD2 PHE A 83 -24.168 -6.055 18.413 1.00 10.13 H new ATOM 0 HE1 PHE A 83 -26.531 -4.063 14.587 1.00 61.23 H new ATOM 0 HE2 PHE A 83 -23.774 -6.916 16.147 1.00 62.02 H new ATOM 0 HZ PHE A 83 -24.957 -5.923 14.228 1.00 74.42 H new ATOM 1360 N LYS A 84 -25.725 -1.693 21.493 1.00 63.22 N ATOM 1361 CA LYS A 84 -25.861 -1.376 22.909 1.00 0.04 C ATOM 1362 C LYS A 84 -27.328 -1.376 23.328 1.00 3.23 C ATOM 1363 O LYS A 84 -28.221 -1.505 22.493 1.00 53.13 O ATOM 1364 CB LYS A 84 -25.233 -0.013 23.211 1.00 74.13 C ATOM 1365 CG LYS A 84 -24.093 0.351 22.276 1.00 2.22 C ATOM 1366 CD LYS A 84 -22.880 -0.535 22.505 1.00 61.12 C ATOM 1367 CE LYS A 84 -22.559 -0.669 23.985 1.00 22.54 C ATOM 1368 NZ LYS A 84 -21.212 -1.265 24.209 1.00 13.12 N ATOM 0 H LYS A 84 -26.289 -1.110 20.875 1.00 63.22 H new ATOM 0 HA LYS A 84 -25.338 -2.144 23.479 1.00 0.04 H new ATOM 0 HB2 LYS A 84 -26.004 0.755 23.147 1.00 74.13 H new ATOM 0 HB3 LYS A 84 -24.865 -0.011 24.237 1.00 74.13 H new ATOM 0 HG2 LYS A 84 -24.425 0.255 21.242 1.00 2.22 H new ATOM 0 HG3 LYS A 84 -23.816 1.394 22.427 1.00 2.22 H new ATOM 0 HD2 LYS A 84 -23.064 -1.522 22.081 1.00 61.12 H new ATOM 0 HD3 LYS A 84 -22.020 -0.118 21.981 1.00 61.12 H new ATOM 0 HE2 LYS A 84 -22.605 0.313 24.457 1.00 22.54 H new ATOM 0 HE3 LYS A 84 -23.315 -1.289 24.466 1.00 22.54 H new ATOM 0 HZ1 LYS A 84 -21.031 -1.340 25.230 1.00 13.12 H new ATOM 0 HZ2 LYS A 84 -21.176 -2.212 23.781 1.00 13.12 H new ATOM 0 HZ3 LYS A 84 -20.488 -0.660 23.772 1.00 13.12 H new ATOM 1382 N ASN A 85 -27.567 -1.229 24.627 1.00 15.33 N ATOM 1383 CA ASN A 85 -28.926 -1.211 25.156 1.00 14.24 C ATOM 1384 C ASN A 85 -29.639 -2.529 24.870 1.00 11.11 C ATOM 1385 O ASN A 85 -29.810 -3.361 25.761 1.00 31.10 O ATOM 1386 CB ASN A 85 -29.716 -0.049 24.551 1.00 54.21 C ATOM 1387 CG ASN A 85 -29.171 1.302 24.972 1.00 55.43 C ATOM 1388 OD1 ASN A 85 -27.862 1.480 24.837 1.00 20.20 O flip ATOM 1389 ND2 ASN A 85 -29.919 2.176 25.412 1.00 13.05 N flip ATOM 0 H ASN A 85 -26.838 -1.121 25.332 1.00 15.33 H new ATOM 0 HA ASN A 85 -28.867 -1.078 26.236 1.00 14.24 H new ATOM 0 HB2 ASN A 85 -29.693 -0.124 23.464 1.00 54.21 H new ATOM 0 HB3 ASN A 85 -30.760 -0.127 24.853 1.00 54.21 H new ATOM 0 HD21 ASN A 85 -30.919 1.995 25.498 1.00 13.05 H new ATOM 0 HD22 ASN A 85 -29.538 3.081 25.690 1.00 13.05 H new ATOM 1396 N VAL A 86 -30.053 -2.712 23.620 1.00 23.51 N ATOM 1397 CA VAL A 86 -30.745 -3.930 23.215 1.00 53.20 C ATOM 1398 C VAL A 86 -31.731 -4.383 24.286 1.00 75.24 C ATOM 1399 O VAL A 86 -31.374 -5.133 25.194 1.00 54.12 O ATOM 1400 CB VAL A 86 -29.752 -5.072 22.930 1.00 34.33 C ATOM 1401 CG1 VAL A 86 -29.086 -4.876 21.577 1.00 0.11 C ATOM 1402 CG2 VAL A 86 -28.713 -5.163 24.037 1.00 12.35 C ATOM 0 H VAL A 86 -29.921 -2.033 22.871 1.00 23.51 H new ATOM 0 HA VAL A 86 -31.289 -3.696 22.300 1.00 53.20 H new ATOM 0 HB VAL A 86 -30.304 -6.012 22.903 1.00 34.33 H new ATOM 0 HG11 VAL A 86 -28.388 -5.693 21.393 1.00 0.11 H new ATOM 0 HG12 VAL A 86 -29.846 -4.866 20.796 1.00 0.11 H new ATOM 0 HG13 VAL A 86 -28.546 -3.929 21.571 1.00 0.11 H new ATOM 0 HG21 VAL A 86 -28.020 -5.975 23.819 1.00 12.35 H new ATOM 0 HG22 VAL A 86 -28.164 -4.224 24.099 1.00 12.35 H new ATOM 0 HG23 VAL A 86 -29.210 -5.355 24.988 1.00 12.35 H new ATOM 1412 N GLN A 87 -32.973 -3.923 24.171 1.00 33.43 N ATOM 1413 CA GLN A 87 -34.011 -4.282 25.130 1.00 34.14 C ATOM 1414 C GLN A 87 -34.852 -5.444 24.613 1.00 74.30 C ATOM 1415 O GLN A 87 -34.846 -6.532 25.188 1.00 51.20 O ATOM 1416 CB GLN A 87 -34.908 -3.077 25.418 1.00 1.41 C ATOM 1417 CG GLN A 87 -34.852 -2.006 24.341 1.00 43.42 C ATOM 1418 CD GLN A 87 -35.719 -0.805 24.665 1.00 21.32 C ATOM 1419 OE1 GLN A 87 -35.323 0.071 25.434 1.00 11.40 O ATOM 1420 NE2 GLN A 87 -36.910 -0.759 24.079 1.00 24.13 N ATOM 0 H GLN A 87 -33.284 -3.302 23.424 1.00 33.43 H new ATOM 0 HA GLN A 87 -33.524 -4.593 26.054 1.00 34.14 H new ATOM 0 HB2 GLN A 87 -35.937 -3.418 25.526 1.00 1.41 H new ATOM 0 HB3 GLN A 87 -34.616 -2.637 26.372 1.00 1.41 H new ATOM 0 HG2 GLN A 87 -33.820 -1.680 24.212 1.00 43.42 H new ATOM 0 HG3 GLN A 87 -35.172 -2.434 23.391 1.00 43.42 H new ATOM 0 HE21 GLN A 87 -37.197 -1.507 23.448 1.00 24.13 H new ATOM 0 HE22 GLN A 87 -37.537 0.025 24.260 1.00 24.13 H new ATOM 1429 N ASN A 88 -35.576 -5.206 23.524 1.00 42.03 N ATOM 1430 CA ASN A 88 -36.423 -6.233 22.929 1.00 33.22 C ATOM 1431 C ASN A 88 -35.620 -7.120 21.983 1.00 72.42 C ATOM 1432 O ASN A 88 -36.134 -7.587 20.966 1.00 20.00 O ATOM 1433 CB ASN A 88 -37.589 -5.589 22.176 1.00 31.02 C ATOM 1434 CG ASN A 88 -38.273 -4.505 22.987 1.00 23.11 C ATOM 1435 OD1 ASN A 88 -37.953 -3.323 22.858 1.00 31.23 O ATOM 1436 ND2 ASN A 88 -39.219 -4.904 23.829 1.00 74.14 N ATOM 0 H ASN A 88 -35.593 -4.311 23.036 1.00 42.03 H new ATOM 0 HA ASN A 88 -36.817 -6.854 23.733 1.00 33.22 H new ATOM 0 HB2 ASN A 88 -37.224 -5.164 21.241 1.00 31.02 H new ATOM 0 HB3 ASN A 88 -38.317 -6.357 21.914 1.00 31.02 H new ATOM 0 HD21 ASN A 88 -39.713 -4.220 24.402 1.00 74.14 H new ATOM 0 HD22 ASN A 88 -39.451 -5.894 23.903 1.00 74.14 H new ATOM 1443 N VAL A 89 -34.356 -7.350 22.325 1.00 54.40 N ATOM 1444 CA VAL A 89 -33.482 -8.182 21.508 1.00 60.14 C ATOM 1445 C VAL A 89 -32.634 -9.106 22.375 1.00 53.11 C ATOM 1446 O VAL A 89 -32.246 -8.747 23.486 1.00 32.12 O ATOM 1447 CB VAL A 89 -32.552 -7.325 20.628 1.00 31.13 C ATOM 1448 CG1 VAL A 89 -31.822 -8.195 19.617 1.00 61.23 C ATOM 1449 CG2 VAL A 89 -33.342 -6.229 19.929 1.00 4.44 C ATOM 0 H VAL A 89 -33.915 -6.971 23.163 1.00 54.40 H new ATOM 0 HA VAL A 89 -34.127 -8.782 20.866 1.00 60.14 H new ATOM 0 HB VAL A 89 -31.807 -6.853 21.269 1.00 31.13 H new ATOM 0 HG11 VAL A 89 -31.170 -7.572 19.005 1.00 61.23 H new ATOM 0 HG12 VAL A 89 -31.224 -8.940 20.142 1.00 61.23 H new ATOM 0 HG13 VAL A 89 -32.548 -8.698 18.978 1.00 61.23 H new ATOM 0 HG21 VAL A 89 -32.670 -5.633 19.312 1.00 4.44 H new ATOM 0 HG22 VAL A 89 -34.110 -6.679 19.299 1.00 4.44 H new ATOM 0 HG23 VAL A 89 -33.813 -5.588 20.674 1.00 4.44 H new ATOM 1459 N MET A 90 -32.350 -10.297 21.859 1.00 71.22 N ATOM 1460 CA MET A 90 -31.546 -11.273 22.586 1.00 12.40 C ATOM 1461 C MET A 90 -30.114 -11.297 22.060 1.00 35.42 C ATOM 1462 O MET A 90 -29.171 -10.987 22.787 1.00 2.33 O ATOM 1463 CB MET A 90 -32.168 -12.666 22.471 1.00 53.50 C ATOM 1464 CG MET A 90 -33.658 -12.693 22.774 1.00 43.32 C ATOM 1465 SD MET A 90 -34.515 -14.031 21.922 1.00 13.22 S ATOM 1466 CE MET A 90 -34.376 -13.493 20.220 1.00 41.25 C ATOM 0 H MET A 90 -32.664 -10.610 20.940 1.00 71.22 H new ATOM 0 HA MET A 90 -31.524 -10.979 23.635 1.00 12.40 H new ATOM 0 HB2 MET A 90 -32.004 -13.046 21.463 1.00 53.50 H new ATOM 0 HB3 MET A 90 -31.654 -13.342 23.154 1.00 53.50 H new ATOM 0 HG2 MET A 90 -33.804 -12.799 23.849 1.00 43.32 H new ATOM 0 HG3 MET A 90 -34.101 -11.740 22.484 1.00 43.32 H new ATOM 0 HE1 MET A 90 -35.207 -13.896 19.642 1.00 41.25 H new ATOM 0 HE2 MET A 90 -34.401 -12.404 20.179 1.00 41.25 H new ATOM 0 HE3 MET A 90 -33.435 -13.851 19.801 1.00 41.25 H new ATOM 1476 N ASP A 91 -29.960 -11.669 20.794 1.00 14.22 N ATOM 1477 CA ASP A 91 -28.643 -11.733 20.171 1.00 35.31 C ATOM 1478 C ASP A 91 -28.752 -12.176 18.715 1.00 12.32 C ATOM 1479 O ASP A 91 -27.964 -11.756 17.868 1.00 24.41 O ATOM 1480 CB ASP A 91 -27.737 -12.694 20.943 1.00 52.14 C ATOM 1481 CG ASP A 91 -28.495 -13.881 21.503 1.00 74.45 C ATOM 1482 OD1 ASP A 91 -28.870 -14.773 20.712 1.00 24.10 O ATOM 1483 OD2 ASP A 91 -28.714 -13.919 22.731 1.00 21.42 O ATOM 0 H ASP A 91 -30.731 -11.931 20.179 1.00 14.22 H new ATOM 0 HA ASP A 91 -28.207 -10.735 20.197 1.00 35.31 H new ATOM 0 HB2 ASP A 91 -26.945 -13.050 20.284 1.00 52.14 H new ATOM 0 HB3 ASP A 91 -27.255 -12.157 21.760 1.00 52.14 H new ATOM 1488 N SER A 92 -29.734 -13.026 18.432 1.00 22.11 N ATOM 1489 CA SER A 92 -29.943 -13.529 17.080 1.00 63.54 C ATOM 1490 C SER A 92 -30.071 -12.379 16.086 1.00 70.24 C ATOM 1491 O SER A 92 -29.516 -12.429 14.989 1.00 42.15 O ATOM 1492 CB SER A 92 -31.195 -14.406 17.027 1.00 74.22 C ATOM 1493 OG SER A 92 -31.461 -14.836 15.703 1.00 34.51 O ATOM 0 H SER A 92 -30.397 -13.381 19.121 1.00 22.11 H new ATOM 0 HA SER A 92 -29.076 -14.129 16.804 1.00 63.54 H new ATOM 0 HB2 SER A 92 -31.063 -15.273 17.675 1.00 74.22 H new ATOM 0 HB3 SER A 92 -32.050 -13.849 17.410 1.00 74.22 H new ATOM 0 HG SER A 92 -32.265 -15.396 15.696 1.00 34.51 H new ATOM 1499 N GLN A 93 -30.807 -11.345 16.479 1.00 12.20 N ATOM 1500 CA GLN A 93 -31.009 -10.182 15.623 1.00 74.13 C ATOM 1501 C GLN A 93 -29.723 -9.373 15.490 1.00 32.40 C ATOM 1502 O GLN A 93 -29.399 -8.875 14.411 1.00 20.41 O ATOM 1503 CB GLN A 93 -32.126 -9.299 16.182 1.00 41.41 C ATOM 1504 CG GLN A 93 -33.516 -9.889 16.004 1.00 45.41 C ATOM 1505 CD GLN A 93 -33.975 -10.675 17.216 1.00 54.13 C ATOM 1506 OE1 GLN A 93 -33.519 -11.917 17.324 1.00 51.33 O flip ATOM 1507 NE2 GLN A 93 -34.733 -10.172 18.046 1.00 63.11 N flip ATOM 0 H GLN A 93 -31.273 -11.289 17.384 1.00 12.20 H new ATOM 0 HA GLN A 93 -31.297 -10.537 14.633 1.00 74.13 H new ATOM 0 HB2 GLN A 93 -31.946 -9.129 17.243 1.00 41.41 H new ATOM 0 HB3 GLN A 93 -32.088 -8.326 15.692 1.00 41.41 H new ATOM 0 HG2 GLN A 93 -34.225 -9.085 15.807 1.00 45.41 H new ATOM 0 HG3 GLN A 93 -33.521 -10.540 15.130 1.00 45.41 H new ATOM 0 HE21 GLN A 93 -35.059 -9.213 17.924 1.00 63.11 H new ATOM 0 HE22 GLN A 93 -35.034 -10.714 18.856 1.00 63.11 H new ATOM 1516 N LEU A 94 -28.994 -9.246 16.593 1.00 20.11 N ATOM 1517 CA LEU A 94 -27.742 -8.497 16.600 1.00 31.14 C ATOM 1518 C LEU A 94 -26.743 -9.097 15.617 1.00 64.40 C ATOM 1519 O LEU A 94 -26.138 -8.382 14.819 1.00 63.22 O ATOM 1520 CB LEU A 94 -27.143 -8.481 18.008 1.00 51.42 C ATOM 1521 CG LEU A 94 -27.471 -7.256 18.862 1.00 3.35 C ATOM 1522 CD1 LEU A 94 -28.976 -7.070 18.975 1.00 61.31 C ATOM 1523 CD2 LEU A 94 -26.843 -7.385 20.243 1.00 42.14 C ATOM 0 H LEU A 94 -29.248 -9.652 17.494 1.00 20.11 H new ATOM 0 HA LEU A 94 -27.957 -7.474 16.291 1.00 31.14 H new ATOM 0 HB2 LEU A 94 -27.485 -9.370 18.537 1.00 51.42 H new ATOM 0 HB3 LEU A 94 -26.059 -8.559 17.921 1.00 51.42 H new ATOM 0 HG LEU A 94 -27.053 -6.375 18.374 1.00 3.35 H new ATOM 0 HD11 LEU A 94 -29.189 -6.193 19.586 1.00 61.31 H new ATOM 0 HD12 LEU A 94 -29.401 -6.931 17.981 1.00 61.31 H new ATOM 0 HD13 LEU A 94 -29.418 -7.952 19.439 1.00 61.31 H new ATOM 0 HD21 LEU A 94 -27.087 -6.504 20.837 1.00 42.14 H new ATOM 0 HD22 LEU A 94 -27.231 -8.275 20.738 1.00 42.14 H new ATOM 0 HD23 LEU A 94 -25.761 -7.468 20.144 1.00 42.14 H new ATOM 1535 N GLN A 95 -26.577 -10.415 15.680 1.00 43.42 N ATOM 1536 CA GLN A 95 -25.652 -11.111 14.793 1.00 3.43 C ATOM 1537 C GLN A 95 -26.114 -11.019 13.343 1.00 54.10 C ATOM 1538 O GLN A 95 -25.298 -10.953 12.424 1.00 14.11 O ATOM 1539 CB GLN A 95 -25.521 -12.577 15.208 1.00 71.34 C ATOM 1540 CG GLN A 95 -25.158 -12.766 16.672 1.00 54.12 C ATOM 1541 CD GLN A 95 -25.160 -14.223 17.090 1.00 11.15 C ATOM 1542 OE1 GLN A 95 -25.673 -15.085 16.377 1.00 62.34 O ATOM 1543 NE2 GLN A 95 -24.585 -14.506 18.253 1.00 3.43 N ATOM 0 H GLN A 95 -27.070 -11.021 16.335 1.00 43.42 H new ATOM 0 HA GLN A 95 -24.678 -10.629 14.875 1.00 3.43 H new ATOM 0 HB2 GLN A 95 -26.463 -13.088 15.007 1.00 71.34 H new ATOM 0 HB3 GLN A 95 -24.761 -13.054 14.589 1.00 71.34 H new ATOM 0 HG2 GLN A 95 -24.171 -12.341 16.856 1.00 54.12 H new ATOM 0 HG3 GLN A 95 -25.864 -12.213 17.292 1.00 54.12 H new ATOM 0 HE21 GLN A 95 -24.172 -13.760 18.812 1.00 3.43 H new ATOM 0 HE22 GLN A 95 -24.557 -15.469 18.587 1.00 3.43 H new ATOM 1552 N MET A 96 -27.429 -11.016 13.145 1.00 3.24 N ATOM 1553 CA MET A 96 -28.000 -10.931 11.806 1.00 25.32 C ATOM 1554 C MET A 96 -27.563 -9.647 11.109 1.00 45.11 C ATOM 1555 O MET A 96 -27.302 -9.640 9.905 1.00 3.11 O ATOM 1556 CB MET A 96 -29.527 -10.994 11.875 1.00 64.14 C ATOM 1557 CG MET A 96 -30.201 -10.866 10.519 1.00 75.54 C ATOM 1558 SD MET A 96 -31.970 -10.542 10.651 1.00 52.02 S ATOM 1559 CE MET A 96 -31.961 -8.864 11.277 1.00 4.11 C ATOM 0 H MET A 96 -28.118 -11.071 13.895 1.00 3.24 H new ATOM 0 HA MET A 96 -27.634 -11.779 11.227 1.00 25.32 H new ATOM 0 HB2 MET A 96 -29.823 -11.938 12.332 1.00 64.14 H new ATOM 0 HB3 MET A 96 -29.886 -10.198 12.527 1.00 64.14 H new ATOM 0 HG2 MET A 96 -29.729 -10.060 9.957 1.00 75.54 H new ATOM 0 HG3 MET A 96 -30.045 -11.784 9.952 1.00 75.54 H new ATOM 0 HE1 MET A 96 -32.933 -8.404 11.098 1.00 4.11 H new ATOM 0 HE2 MET A 96 -31.757 -8.876 12.348 1.00 4.11 H new ATOM 0 HE3 MET A 96 -31.188 -8.290 10.767 1.00 4.11 H new ATOM 1569 N LEU A 97 -27.485 -8.562 11.872 1.00 61.14 N ATOM 1570 CA LEU A 97 -27.079 -7.271 11.327 1.00 74.14 C ATOM 1571 C LEU A 97 -25.588 -7.258 11.009 1.00 24.31 C ATOM 1572 O LEU A 97 -25.161 -6.697 9.999 1.00 32.44 O ATOM 1573 CB LEU A 97 -27.412 -6.151 12.314 1.00 21.32 C ATOM 1574 CG LEU A 97 -28.866 -6.077 12.780 1.00 55.22 C ATOM 1575 CD1 LEU A 97 -28.996 -5.151 13.980 1.00 72.35 C ATOM 1576 CD2 LEU A 97 -29.767 -5.611 11.645 1.00 45.13 C ATOM 0 H LEU A 97 -27.697 -8.551 12.870 1.00 61.14 H new ATOM 0 HA LEU A 97 -27.630 -7.106 10.401 1.00 74.14 H new ATOM 0 HB2 LEU A 97 -26.776 -6.266 13.191 1.00 21.32 H new ATOM 0 HB3 LEU A 97 -27.150 -5.198 11.853 1.00 21.32 H new ATOM 0 HG LEU A 97 -29.182 -7.076 13.082 1.00 55.22 H new ATOM 0 HD11 LEU A 97 -30.038 -5.111 14.298 1.00 72.35 H new ATOM 0 HD12 LEU A 97 -28.382 -5.527 14.798 1.00 72.35 H new ATOM 0 HD13 LEU A 97 -28.662 -4.151 13.705 1.00 72.35 H new ATOM 0 HD21 LEU A 97 -30.798 -5.564 11.995 1.00 45.13 H new ATOM 0 HD22 LEU A 97 -29.451 -4.622 11.313 1.00 45.13 H new ATOM 0 HD23 LEU A 97 -29.697 -6.313 10.814 1.00 45.13 H new ATOM 1588 N LYS A 98 -24.798 -7.882 11.877 1.00 60.13 N ATOM 1589 CA LYS A 98 -23.354 -7.947 11.688 1.00 4.53 C ATOM 1590 C LYS A 98 -23.008 -8.583 10.346 1.00 23.42 C ATOM 1591 O LYS A 98 -22.068 -8.162 9.672 1.00 52.40 O ATOM 1592 CB LYS A 98 -22.705 -8.741 12.824 1.00 34.41 C ATOM 1593 CG LYS A 98 -22.914 -8.123 14.196 1.00 53.04 C ATOM 1594 CD LYS A 98 -22.180 -6.799 14.328 1.00 32.21 C ATOM 1595 CE LYS A 98 -21.132 -6.851 15.429 1.00 12.32 C ATOM 1596 NZ LYS A 98 -19.782 -7.179 14.895 1.00 44.44 N ATOM 0 H LYS A 98 -25.134 -8.350 12.719 1.00 60.13 H new ATOM 0 HA LYS A 98 -22.966 -6.928 11.697 1.00 4.53 H new ATOM 0 HB2 LYS A 98 -23.109 -9.753 12.825 1.00 34.41 H new ATOM 0 HB3 LYS A 98 -21.635 -8.825 12.632 1.00 34.41 H new ATOM 0 HG2 LYS A 98 -23.979 -7.968 14.368 1.00 53.04 H new ATOM 0 HG3 LYS A 98 -22.564 -8.813 14.964 1.00 53.04 H new ATOM 0 HD2 LYS A 98 -21.702 -6.551 13.380 1.00 32.21 H new ATOM 0 HD3 LYS A 98 -22.895 -6.005 14.542 1.00 32.21 H new ATOM 0 HE2 LYS A 98 -21.096 -5.890 15.942 1.00 12.32 H new ATOM 0 HE3 LYS A 98 -21.420 -7.597 16.170 1.00 12.32 H new ATOM 0 HZ1 LYS A 98 -19.096 -7.205 15.677 1.00 44.44 H new ATOM 0 HZ2 LYS A 98 -19.810 -8.108 14.428 1.00 44.44 H new ATOM 0 HZ3 LYS A 98 -19.495 -6.454 14.207 1.00 44.44 H new ATOM 1610 N SER A 99 -23.774 -9.600 9.964 1.00 62.13 N ATOM 1611 CA SER A 99 -23.547 -10.296 8.703 1.00 64.42 C ATOM 1612 C SER A 99 -23.751 -9.356 7.519 1.00 74.54 C ATOM 1613 O SER A 99 -23.001 -9.396 6.545 1.00 65.23 O ATOM 1614 CB SER A 99 -24.486 -11.498 8.583 1.00 22.10 C ATOM 1615 OG SER A 99 -23.992 -12.606 9.315 1.00 63.53 O ATOM 0 H SER A 99 -24.557 -9.960 10.510 1.00 62.13 H new ATOM 0 HA SER A 99 -22.515 -10.648 8.691 1.00 64.42 H new ATOM 0 HB2 SER A 99 -25.476 -11.228 8.950 1.00 22.10 H new ATOM 0 HB3 SER A 99 -24.599 -11.772 7.534 1.00 22.10 H new ATOM 0 HG SER A 99 -24.611 -13.360 9.224 1.00 63.53 H new ATOM 1621 N GLU A 100 -24.774 -8.512 7.611 1.00 0.03 N ATOM 1622 CA GLU A 100 -25.078 -7.562 6.547 1.00 34.44 C ATOM 1623 C GLU A 100 -24.073 -6.414 6.539 1.00 71.44 C ATOM 1624 O GLU A 100 -23.831 -5.794 5.503 1.00 72.20 O ATOM 1625 CB GLU A 100 -26.496 -7.012 6.715 1.00 32.01 C ATOM 1626 CG GLU A 100 -27.553 -8.092 6.876 1.00 12.33 C ATOM 1627 CD GLU A 100 -27.551 -9.086 5.731 1.00 0.23 C ATOM 1628 OE1 GLU A 100 -26.645 -9.944 5.691 1.00 4.34 O ATOM 1629 OE2 GLU A 100 -28.457 -9.006 4.875 1.00 2.42 O ATOM 0 H GLU A 100 -25.406 -8.467 8.411 1.00 0.03 H new ATOM 0 HA GLU A 100 -25.010 -8.088 5.595 1.00 34.44 H new ATOM 0 HB2 GLU A 100 -26.522 -6.357 7.586 1.00 32.01 H new ATOM 0 HB3 GLU A 100 -26.744 -6.399 5.848 1.00 32.01 H new ATOM 0 HG2 GLU A 100 -27.385 -8.623 7.813 1.00 12.33 H new ATOM 0 HG3 GLU A 100 -28.536 -7.626 6.946 1.00 12.33 H new ATOM 1636 N PHE A 101 -23.491 -6.137 7.700 1.00 2.25 N ATOM 1637 CA PHE A 101 -22.513 -5.063 7.828 1.00 2.31 C ATOM 1638 C PHE A 101 -21.320 -5.301 6.907 1.00 51.24 C ATOM 1639 O PHE A 101 -20.685 -4.356 6.437 1.00 72.32 O ATOM 1640 CB PHE A 101 -22.037 -4.947 9.278 1.00 63.43 C ATOM 1641 CG PHE A 101 -23.131 -4.585 10.241 1.00 64.21 C ATOM 1642 CD1 PHE A 101 -24.400 -4.272 9.782 1.00 31.12 C ATOM 1643 CD2 PHE A 101 -22.890 -4.558 11.605 1.00 22.21 C ATOM 1644 CE1 PHE A 101 -25.408 -3.938 10.667 1.00 52.45 C ATOM 1645 CE2 PHE A 101 -23.894 -4.225 12.494 1.00 12.13 C ATOM 1646 CZ PHE A 101 -25.155 -3.915 12.024 1.00 33.22 C ATOM 0 H PHE A 101 -23.679 -6.641 8.566 1.00 2.25 H new ATOM 0 HA PHE A 101 -22.995 -4.130 7.536 1.00 2.31 H new ATOM 0 HB2 PHE A 101 -21.594 -5.895 9.583 1.00 63.43 H new ATOM 0 HB3 PHE A 101 -21.250 -4.195 9.335 1.00 63.43 H new ATOM 0 HD1 PHE A 101 -24.604 -4.289 8.722 1.00 31.12 H new ATOM 0 HD2 PHE A 101 -21.906 -4.800 11.978 1.00 22.21 H new ATOM 0 HE1 PHE A 101 -26.393 -3.695 10.297 1.00 52.45 H new ATOM 0 HE2 PHE A 101 -23.693 -4.207 13.555 1.00 12.13 H new ATOM 0 HZ PHE A 101 -25.942 -3.655 12.717 1.00 33.22 H new ATOM 1656 N LYS A 102 -21.021 -6.570 6.652 1.00 23.14 N ATOM 1657 CA LYS A 102 -19.905 -6.935 5.787 1.00 33.11 C ATOM 1658 C LYS A 102 -20.250 -6.688 4.322 1.00 71.41 C ATOM 1659 O LYS A 102 -19.430 -6.179 3.557 1.00 31.34 O ATOM 1660 CB LYS A 102 -19.532 -8.405 5.994 1.00 54.12 C ATOM 1661 CG LYS A 102 -18.242 -8.808 5.301 1.00 32.23 C ATOM 1662 CD LYS A 102 -18.496 -9.814 4.191 1.00 52.22 C ATOM 1663 CE LYS A 102 -19.325 -9.208 3.069 1.00 41.53 C ATOM 1664 NZ LYS A 102 -19.320 -10.064 1.851 1.00 73.24 N ATOM 0 H LYS A 102 -21.536 -7.364 7.032 1.00 23.14 H new ATOM 0 HA LYS A 102 -19.052 -6.310 6.052 1.00 33.11 H new ATOM 0 HB2 LYS A 102 -19.437 -8.600 7.062 1.00 54.12 H new ATOM 0 HB3 LYS A 102 -20.344 -9.033 5.626 1.00 54.12 H new ATOM 0 HG2 LYS A 102 -17.758 -7.923 4.888 1.00 32.23 H new ATOM 0 HG3 LYS A 102 -17.554 -9.236 6.031 1.00 32.23 H new ATOM 0 HD2 LYS A 102 -17.544 -10.166 3.793 1.00 52.22 H new ATOM 0 HD3 LYS A 102 -19.012 -10.684 4.598 1.00 52.22 H new ATOM 0 HE2 LYS A 102 -20.351 -9.068 3.410 1.00 41.53 H new ATOM 0 HE3 LYS A 102 -18.934 -8.221 2.821 1.00 41.53 H new ATOM 0 HZ1 LYS A 102 -19.896 -9.616 1.110 1.00 73.24 H new ATOM 0 HZ2 LYS A 102 -18.344 -10.177 1.510 1.00 73.24 H new ATOM 0 HZ3 LYS A 102 -19.717 -10.997 2.081 1.00 73.24 H new ATOM 1678 N LYS A 103 -21.469 -7.051 3.936 1.00 21.04 N ATOM 1679 CA LYS A 103 -21.924 -6.867 2.564 1.00 51.25 C ATOM 1680 C LYS A 103 -22.128 -5.388 2.252 1.00 54.31 C ATOM 1681 O LYS A 103 -21.833 -4.930 1.148 1.00 64.14 O ATOM 1682 CB LYS A 103 -23.228 -7.633 2.330 1.00 71.03 C ATOM 1683 CG LYS A 103 -24.473 -6.777 2.487 1.00 70.21 C ATOM 1684 CD LYS A 103 -25.725 -7.630 2.603 1.00 71.22 C ATOM 1685 CE LYS A 103 -26.982 -6.811 2.354 1.00 35.21 C ATOM 1686 NZ LYS A 103 -27.732 -7.293 1.161 1.00 65.52 N ATOM 0 H LYS A 103 -22.160 -7.475 4.556 1.00 21.04 H new ATOM 0 HA LYS A 103 -21.155 -7.258 1.897 1.00 51.25 H new ATOM 0 HB2 LYS A 103 -23.214 -8.059 1.327 1.00 71.03 H new ATOM 0 HB3 LYS A 103 -23.280 -8.467 3.030 1.00 71.03 H new ATOM 0 HG2 LYS A 103 -24.375 -6.150 3.373 1.00 70.21 H new ATOM 0 HG3 LYS A 103 -24.566 -6.108 1.632 1.00 70.21 H new ATOM 0 HD2 LYS A 103 -25.676 -8.450 1.886 1.00 71.22 H new ATOM 0 HD3 LYS A 103 -25.771 -8.077 3.596 1.00 71.22 H new ATOM 0 HE2 LYS A 103 -27.626 -6.859 3.232 1.00 35.21 H new ATOM 0 HE3 LYS A 103 -26.712 -5.764 2.214 1.00 35.21 H new ATOM 0 HZ1 LYS A 103 -28.582 -6.709 1.026 1.00 65.52 H new ATOM 0 HZ2 LYS A 103 -27.126 -7.223 0.319 1.00 65.52 H new ATOM 0 HZ3 LYS A 103 -28.013 -8.284 1.304 1.00 65.52 H new ATOM 1700 N ILE A 104 -22.634 -4.646 3.231 1.00 10.33 N ATOM 1701 CA ILE A 104 -22.875 -3.218 3.061 1.00 23.23 C ATOM 1702 C ILE A 104 -21.570 -2.466 2.821 1.00 14.40 C ATOM 1703 O ILE A 104 -21.473 -1.646 1.907 1.00 71.32 O ATOM 1704 CB ILE A 104 -23.583 -2.616 4.290 1.00 63.55 C ATOM 1705 CG1 ILE A 104 -25.073 -2.963 4.267 1.00 41.10 C ATOM 1706 CG2 ILE A 104 -23.384 -1.109 4.329 1.00 15.42 C ATOM 1707 CD1 ILE A 104 -25.617 -3.379 5.616 1.00 40.23 C ATOM 0 H ILE A 104 -22.885 -5.010 4.150 1.00 10.33 H new ATOM 0 HA ILE A 104 -23.521 -3.108 2.190 1.00 23.23 H new ATOM 0 HB ILE A 104 -23.144 -3.044 5.191 1.00 63.55 H new ATOM 0 HG12 ILE A 104 -25.633 -2.099 3.909 1.00 41.10 H new ATOM 0 HG13 ILE A 104 -25.239 -3.769 3.553 1.00 41.10 H new ATOM 0 HG21 ILE A 104 -23.890 -0.698 5.203 1.00 15.42 H new ATOM 0 HG22 ILE A 104 -22.319 -0.884 4.387 1.00 15.42 H new ATOM 0 HG23 ILE A 104 -23.800 -0.664 3.426 1.00 15.42 H new ATOM 0 HD11 ILE A 104 -26.678 -3.610 5.525 1.00 40.23 H new ATOM 0 HD12 ILE A 104 -25.082 -4.261 5.968 1.00 40.23 H new ATOM 0 HD13 ILE A 104 -25.483 -2.566 6.329 1.00 40.23 H new ATOM 1719 N HIS A 105 -20.568 -2.750 3.647 1.00 74.31 N ATOM 1720 CA HIS A 105 -19.268 -2.102 3.523 1.00 43.02 C ATOM 1721 C HIS A 105 -18.632 -2.413 2.171 1.00 33.21 C ATOM 1722 O HIS A 105 -18.042 -1.540 1.537 1.00 65.43 O ATOM 1723 CB HIS A 105 -18.340 -2.553 4.651 1.00 0.35 C ATOM 1724 CG HIS A 105 -16.885 -2.425 4.318 1.00 34.12 C ATOM 1725 ND1 HIS A 105 -16.364 -1.356 3.620 1.00 72.31 N ATOM 1726 CD2 HIS A 105 -15.839 -3.239 4.593 1.00 74.10 C ATOM 1727 CE1 HIS A 105 -15.061 -1.519 3.478 1.00 21.31 C ATOM 1728 NE2 HIS A 105 -14.717 -2.654 4.060 1.00 31.02 N ATOM 0 H HIS A 105 -20.632 -3.425 4.409 1.00 74.31 H new ATOM 0 HA HIS A 105 -19.419 -1.025 3.595 1.00 43.02 H new ATOM 0 HB2 HIS A 105 -18.553 -1.964 5.543 1.00 0.35 H new ATOM 0 HB3 HIS A 105 -18.558 -3.593 4.896 1.00 0.35 H new ATOM 0 HD1 HIS A 105 -16.901 -0.563 3.268 1.00 72.31 H new ATOM 0 HD2 HIS A 105 -15.879 -4.174 5.131 1.00 74.10 H new ATOM 0 HE1 HIS A 105 -14.391 -0.840 2.972 1.00 21.31 H new ATOM 1736 N ASN A 106 -18.758 -3.663 1.738 1.00 64.35 N ATOM 1737 CA ASN A 106 -18.194 -4.090 0.462 1.00 52.13 C ATOM 1738 C ASN A 106 -18.819 -3.316 -0.695 1.00 14.00 C ATOM 1739 O ASN A 106 -18.130 -2.915 -1.633 1.00 50.42 O ATOM 1740 CB ASN A 106 -18.411 -5.591 0.261 1.00 24.35 C ATOM 1741 CG ASN A 106 -17.105 -6.351 0.128 1.00 2.22 C ATOM 1742 OD1 ASN A 106 -16.901 -7.333 0.998 1.00 3.44 O flip ATOM 1743 ND2 ASN A 106 -16.290 -6.058 -0.747 1.00 64.30 N flip ATOM 0 H ASN A 106 -19.245 -4.398 2.251 1.00 64.35 H new ATOM 0 HA ASN A 106 -17.124 -3.883 0.479 1.00 52.13 H new ATOM 0 HB2 ASN A 106 -18.976 -5.990 1.103 1.00 24.35 H new ATOM 0 HB3 ASN A 106 -19.014 -5.752 -0.632 1.00 24.35 H new ATOM 0 HD21 ASN A 106 -16.489 -5.295 -1.394 1.00 64.30 H new ATOM 0 HD22 ASN A 106 -15.416 -6.578 -0.825 1.00 64.30 H new ATOM 1750 N THR A 107 -20.131 -3.109 -0.621 1.00 44.13 N ATOM 1751 CA THR A 107 -20.849 -2.384 -1.661 1.00 54.13 C ATOM 1752 C THR A 107 -20.710 -0.877 -1.478 1.00 23.10 C ATOM 1753 O THR A 107 -20.765 -0.117 -2.444 1.00 51.25 O ATOM 1754 CB THR A 107 -22.345 -2.752 -1.671 1.00 52.12 C ATOM 1755 OG1 THR A 107 -23.009 -2.074 -2.743 1.00 54.05 O ATOM 1756 CG2 THR A 107 -23.001 -2.385 -0.349 1.00 34.02 C ATOM 0 H THR A 107 -20.717 -3.433 0.148 1.00 44.13 H new ATOM 0 HA THR A 107 -20.404 -2.674 -2.613 1.00 54.13 H new ATOM 0 HB THR A 107 -22.431 -3.829 -1.814 1.00 52.12 H new ATOM 0 HG1 THR A 107 -23.959 -2.314 -2.743 1.00 54.05 H new ATOM 0 HG21 THR A 107 -24.057 -2.654 -0.380 1.00 34.02 H new ATOM 0 HG22 THR A 107 -22.512 -2.925 0.462 1.00 34.02 H new ATOM 0 HG23 THR A 107 -22.905 -1.312 -0.180 1.00 34.02 H new ATOM 1764 N SER A 108 -20.528 -0.452 -0.232 1.00 5.40 N ATOM 1765 CA SER A 108 -20.383 0.966 0.078 1.00 23.12 C ATOM 1766 C SER A 108 -18.915 1.331 0.278 1.00 41.23 C ATOM 1767 O SER A 108 -18.596 2.374 0.848 1.00 4.33 O ATOM 1768 CB SER A 108 -21.183 1.319 1.333 1.00 11.33 C ATOM 1769 OG SER A 108 -22.566 1.080 1.140 1.00 55.40 O ATOM 0 H SER A 108 -20.477 -1.069 0.579 1.00 5.40 H new ATOM 0 HA SER A 108 -20.770 1.539 -0.765 1.00 23.12 H new ATOM 0 HB2 SER A 108 -20.823 0.729 2.176 1.00 11.33 H new ATOM 0 HB3 SER A 108 -21.024 2.367 1.587 1.00 11.33 H new ATOM 0 HG SER A 108 -22.878 0.420 1.794 1.00 55.40 H new ATOM 1775 N ARG A 109 -18.026 0.464 -0.197 1.00 13.34 N ATOM 1776 CA ARG A 109 -16.592 0.694 -0.070 1.00 31.22 C ATOM 1777 C ARG A 109 -16.160 1.903 -0.895 1.00 30.43 C ATOM 1778 O ARG A 109 -15.822 1.776 -2.071 1.00 33.31 O ATOM 1779 CB ARG A 109 -15.814 -0.546 -0.516 1.00 13.34 C ATOM 1780 CG ARG A 109 -14.305 -0.371 -0.458 1.00 75.24 C ATOM 1781 CD ARG A 109 -13.620 -1.618 0.080 1.00 55.35 C ATOM 1782 NE ARG A 109 -12.499 -2.031 -0.760 1.00 21.25 N ATOM 1783 CZ ARG A 109 -12.624 -2.377 -2.036 1.00 53.30 C ATOM 1784 NH1 ARG A 109 -13.816 -2.358 -2.617 1.00 42.14 N ATOM 1785 NH2 ARG A 109 -11.556 -2.741 -2.734 1.00 33.41 N ATOM 0 H ARG A 109 -18.274 -0.403 -0.673 1.00 13.34 H new ATOM 0 HA ARG A 109 -16.373 0.895 0.979 1.00 31.22 H new ATOM 0 HB2 ARG A 109 -16.098 -1.389 0.114 1.00 13.34 H new ATOM 0 HB3 ARG A 109 -16.103 -0.799 -1.536 1.00 13.34 H new ATOM 0 HG2 ARG A 109 -13.925 -0.147 -1.455 1.00 75.24 H new ATOM 0 HG3 ARG A 109 -14.061 0.482 0.175 1.00 75.24 H new ATOM 0 HD2 ARG A 109 -13.264 -1.428 1.092 1.00 55.35 H new ATOM 0 HD3 ARG A 109 -14.344 -2.430 0.144 1.00 55.35 H new ATOM 0 HE ARG A 109 -11.568 -2.055 -0.343 1.00 21.25 H new ATOM 0 HH11 ARG A 109 -14.639 -2.077 -2.084 1.00 42.14 H new ATOM 0 HH12 ARG A 109 -13.910 -2.624 -3.597 1.00 42.14 H new ATOM 0 HH21 ARG A 109 -10.638 -2.755 -2.291 1.00 33.41 H new ATOM 0 HH22 ARG A 109 -11.653 -3.007 -3.714 1.00 33.41 H new ATOM 1799 N GLY A 110 -16.174 3.076 -0.269 1.00 31.33 N ATOM 1800 CA GLY A 110 -15.782 4.290 -0.960 1.00 55.10 C ATOM 1801 C GLY A 110 -16.700 5.456 -0.648 1.00 63.05 C ATOM 1802 O GLY A 110 -16.307 6.615 -0.780 1.00 63.34 O ATOM 0 H GLY A 110 -16.450 3.207 0.704 1.00 31.33 H new ATOM 0 HA2 GLY A 110 -14.761 4.550 -0.680 1.00 55.10 H new ATOM 0 HA3 GLY A 110 -15.782 4.109 -2.035 1.00 55.10 H new ATOM 1806 N GLN A 111 -17.925 5.149 -0.236 1.00 32.12 N ATOM 1807 CA GLN A 111 -18.901 6.181 0.093 1.00 52.23 C ATOM 1808 C GLN A 111 -19.344 6.069 1.548 1.00 62.32 C ATOM 1809 O GLN A 111 -18.629 5.514 2.382 1.00 74.21 O ATOM 1810 CB GLN A 111 -20.116 6.077 -0.832 1.00 5.33 C ATOM 1811 CG GLN A 111 -21.029 4.906 -0.507 1.00 0.42 C ATOM 1812 CD GLN A 111 -21.672 4.308 -1.742 1.00 73.21 C ATOM 1813 OE1 GLN A 111 -21.346 3.191 -2.147 1.00 14.52 O ATOM 1814 NE2 GLN A 111 -22.592 5.049 -2.349 1.00 32.31 N ATOM 0 H GLN A 111 -18.266 4.194 -0.122 1.00 32.12 H new ATOM 0 HA GLN A 111 -18.427 7.152 -0.049 1.00 52.23 H new ATOM 0 HB2 GLN A 111 -20.689 7.002 -0.771 1.00 5.33 H new ATOM 0 HB3 GLN A 111 -19.771 5.983 -1.862 1.00 5.33 H new ATOM 0 HG2 GLN A 111 -20.456 4.136 0.009 1.00 0.42 H new ATOM 0 HG3 GLN A 111 -21.808 5.237 0.180 1.00 0.42 H new ATOM 0 HE21 GLN A 111 -22.831 5.969 -1.979 1.00 32.31 H new ATOM 0 HE22 GLN A 111 -23.059 4.698 -3.185 1.00 32.31 H new ATOM 1823 N GLU A 112 -20.526 6.599 1.844 1.00 11.44 N ATOM 1824 CA GLU A 112 -21.062 6.559 3.200 1.00 74.12 C ATOM 1825 C GLU A 112 -21.515 5.148 3.564 1.00 73.23 C ATOM 1826 O GLU A 112 -22.103 4.443 2.743 1.00 32.52 O ATOM 1827 CB GLU A 112 -22.233 7.534 3.338 1.00 35.10 C ATOM 1828 CG GLU A 112 -21.844 8.987 3.126 1.00 41.12 C ATOM 1829 CD GLU A 112 -23.047 9.896 2.966 1.00 0.32 C ATOM 1830 OE1 GLU A 112 -24.036 9.708 3.705 1.00 4.43 O ATOM 1831 OE2 GLU A 112 -22.999 10.796 2.102 1.00 50.25 O ATOM 0 H GLU A 112 -21.130 7.061 1.164 1.00 11.44 H new ATOM 0 HA GLU A 112 -20.269 6.856 3.886 1.00 74.12 H new ATOM 0 HB2 GLU A 112 -23.006 7.265 2.618 1.00 35.10 H new ATOM 0 HB3 GLU A 112 -22.670 7.425 4.330 1.00 35.10 H new ATOM 0 HG2 GLU A 112 -21.247 9.326 3.972 1.00 41.12 H new ATOM 0 HG3 GLU A 112 -21.214 9.065 2.240 1.00 41.12 H new ATOM 1838 N ILE A 113 -21.237 4.743 4.798 1.00 1.54 N ATOM 1839 CA ILE A 113 -21.616 3.418 5.271 1.00 22.23 C ATOM 1840 C ILE A 113 -22.485 3.508 6.521 1.00 60.40 C ATOM 1841 O ILE A 113 -23.263 2.600 6.814 1.00 35.32 O ATOM 1842 CB ILE A 113 -20.378 2.556 5.581 1.00 22.34 C ATOM 1843 CG1 ILE A 113 -19.386 3.340 6.444 1.00 73.34 C ATOM 1844 CG2 ILE A 113 -19.717 2.094 4.291 1.00 1.41 C ATOM 1845 CD1 ILE A 113 -18.529 2.462 7.328 1.00 20.22 C ATOM 0 H ILE A 113 -20.750 5.314 5.489 1.00 1.54 H new ATOM 0 HA ILE A 113 -22.185 2.947 4.469 1.00 22.23 H new ATOM 0 HB ILE A 113 -20.698 1.675 6.138 1.00 22.34 H new ATOM 0 HG12 ILE A 113 -18.739 3.930 5.795 1.00 73.34 H new ATOM 0 HG13 ILE A 113 -19.937 4.043 7.069 1.00 73.34 H new ATOM 0 HG21 ILE A 113 -18.844 1.486 4.527 1.00 1.41 H new ATOM 0 HG22 ILE A 113 -20.425 1.502 3.711 1.00 1.41 H new ATOM 0 HG23 ILE A 113 -19.408 2.962 3.709 1.00 1.41 H new ATOM 0 HD11 ILE A 113 -17.850 3.085 7.911 1.00 20.22 H new ATOM 0 HD12 ILE A 113 -19.167 1.891 8.002 1.00 20.22 H new ATOM 0 HD13 ILE A 113 -17.951 1.776 6.709 1.00 20.22 H new ATOM 1857 N ILE A 114 -22.348 4.608 7.252 1.00 2.35 N ATOM 1858 CA ILE A 114 -23.123 4.818 8.469 1.00 21.10 C ATOM 1859 C ILE A 114 -24.620 4.798 8.178 1.00 45.35 C ATOM 1860 O ILE A 114 -25.395 4.169 8.897 1.00 21.53 O ATOM 1861 CB ILE A 114 -22.760 6.154 9.144 1.00 33.44 C ATOM 1862 CG1 ILE A 114 -21.245 6.263 9.328 1.00 71.24 C ATOM 1863 CG2 ILE A 114 -23.472 6.280 10.483 1.00 3.52 C ATOM 1864 CD1 ILE A 114 -20.664 5.180 10.209 1.00 65.30 C ATOM 0 H ILE A 114 -21.708 5.368 7.023 1.00 2.35 H new ATOM 0 HA ILE A 114 -22.876 4.000 9.146 1.00 21.10 H new ATOM 0 HB ILE A 114 -23.088 6.971 8.501 1.00 33.44 H new ATOM 0 HG12 ILE A 114 -20.765 6.222 8.350 1.00 71.24 H new ATOM 0 HG13 ILE A 114 -21.009 7.236 9.758 1.00 71.24 H new ATOM 0 HG21 ILE A 114 -23.206 7.229 10.949 1.00 3.52 H new ATOM 0 HG22 ILE A 114 -24.550 6.242 10.327 1.00 3.52 H new ATOM 0 HG23 ILE A 114 -23.171 5.459 11.134 1.00 3.52 H new ATOM 0 HD11 ILE A 114 -19.586 5.320 10.295 1.00 65.30 H new ATOM 0 HD12 ILE A 114 -21.117 5.234 11.199 1.00 65.30 H new ATOM 0 HD13 ILE A 114 -20.869 4.204 9.769 1.00 65.30 H new ATOM 1876 N PHE A 115 -25.019 5.491 7.116 1.00 31.31 N ATOM 1877 CA PHE A 115 -26.423 5.553 6.728 1.00 75.51 C ATOM 1878 C PHE A 115 -26.919 4.187 6.262 1.00 74.14 C ATOM 1879 O PHE A 115 -28.071 3.821 6.495 1.00 23.12 O ATOM 1880 CB PHE A 115 -26.623 6.586 5.618 1.00 43.42 C ATOM 1881 CG PHE A 115 -28.052 7.014 5.446 1.00 33.03 C ATOM 1882 CD1 PHE A 115 -28.594 8.005 6.248 1.00 3.44 C ATOM 1883 CD2 PHE A 115 -28.855 6.424 4.483 1.00 21.22 C ATOM 1884 CE1 PHE A 115 -29.909 8.402 6.093 1.00 61.50 C ATOM 1885 CE2 PHE A 115 -30.170 6.816 4.323 1.00 54.01 C ATOM 1886 CZ PHE A 115 -30.698 7.805 5.130 1.00 54.25 C ATOM 0 H PHE A 115 -24.390 6.017 6.509 1.00 31.31 H new ATOM 0 HA PHE A 115 -27.002 5.852 7.602 1.00 75.51 H new ATOM 0 HB2 PHE A 115 -26.013 7.463 5.835 1.00 43.42 H new ATOM 0 HB3 PHE A 115 -26.261 6.171 4.677 1.00 43.42 H new ATOM 0 HD1 PHE A 115 -27.981 8.473 7.004 1.00 3.44 H new ATOM 0 HD2 PHE A 115 -28.448 5.649 3.850 1.00 21.22 H new ATOM 0 HE1 PHE A 115 -30.318 9.177 6.724 1.00 61.50 H new ATOM 0 HE2 PHE A 115 -30.785 6.350 3.567 1.00 54.01 H new ATOM 0 HZ PHE A 115 -31.727 8.111 5.008 1.00 54.25 H new ATOM 1896 N GLU A 116 -26.041 3.439 5.601 1.00 53.14 N ATOM 1897 CA GLU A 116 -26.390 2.115 5.100 1.00 35.31 C ATOM 1898 C GLU A 116 -26.641 1.146 6.252 1.00 11.35 C ATOM 1899 O GLU A 116 -27.641 0.428 6.267 1.00 71.22 O ATOM 1900 CB GLU A 116 -25.277 1.576 4.199 1.00 32.34 C ATOM 1901 CG GLU A 116 -24.834 2.556 3.127 1.00 43.22 C ATOM 1902 CD GLU A 116 -25.872 2.737 2.036 1.00 22.23 C ATOM 1903 OE1 GLU A 116 -27.071 2.836 2.369 1.00 73.43 O ATOM 1904 OE2 GLU A 116 -25.484 2.780 0.850 1.00 62.31 O ATOM 0 H GLU A 116 -25.083 3.727 5.400 1.00 53.14 H new ATOM 0 HA GLU A 116 -27.307 2.205 4.518 1.00 35.31 H new ATOM 0 HB2 GLU A 116 -24.418 1.312 4.816 1.00 32.34 H new ATOM 0 HB3 GLU A 116 -25.620 0.658 3.721 1.00 32.34 H new ATOM 0 HG2 GLU A 116 -24.624 3.522 3.587 1.00 43.22 H new ATOM 0 HG3 GLU A 116 -23.903 2.206 2.682 1.00 43.22 H new ATOM 1911 N ILE A 117 -25.726 1.133 7.216 1.00 70.22 N ATOM 1912 CA ILE A 117 -25.848 0.254 8.372 1.00 23.30 C ATOM 1913 C ILE A 117 -27.068 0.615 9.211 1.00 15.03 C ATOM 1914 O ILE A 117 -27.797 -0.261 9.679 1.00 64.33 O ATOM 1915 CB ILE A 117 -24.591 0.315 9.261 1.00 53.23 C ATOM 1916 CG1 ILE A 117 -24.203 -1.088 9.731 1.00 35.21 C ATOM 1917 CG2 ILE A 117 -24.829 1.232 10.451 1.00 11.03 C ATOM 1918 CD1 ILE A 117 -23.285 -1.090 10.933 1.00 63.32 C ATOM 0 H ILE A 117 -24.893 1.721 7.219 1.00 70.22 H new ATOM 0 HA ILE A 117 -25.962 -0.759 7.987 1.00 23.30 H new ATOM 0 HB ILE A 117 -23.767 0.721 8.673 1.00 53.23 H new ATOM 0 HG12 ILE A 117 -25.108 -1.644 9.974 1.00 35.21 H new ATOM 0 HG13 ILE A 117 -23.716 -1.615 8.911 1.00 35.21 H new ATOM 0 HG21 ILE A 117 -23.932 1.265 11.070 1.00 11.03 H new ATOM 0 HG22 ILE A 117 -25.062 2.236 10.096 1.00 11.03 H new ATOM 0 HG23 ILE A 117 -25.663 0.853 11.041 1.00 11.03 H new ATOM 0 HD11 ILE A 117 -23.052 -2.118 11.211 1.00 63.32 H new ATOM 0 HD12 ILE A 117 -22.363 -0.562 10.688 1.00 63.32 H new ATOM 0 HD13 ILE A 117 -23.778 -0.591 11.768 1.00 63.32 H new ATOM 1930 N THR A 118 -27.289 1.913 9.398 1.00 64.20 N ATOM 1931 CA THR A 118 -28.421 2.391 10.180 1.00 15.21 C ATOM 1932 C THR A 118 -29.740 2.096 9.475 1.00 53.13 C ATOM 1933 O THR A 118 -30.712 1.679 10.105 1.00 53.45 O ATOM 1934 CB THR A 118 -28.322 3.905 10.445 1.00 2.23 C ATOM 1935 OG1 THR A 118 -28.236 4.615 9.205 1.00 40.32 O ATOM 1936 CG2 THR A 118 -27.107 4.225 11.304 1.00 54.42 C ATOM 0 H THR A 118 -26.698 2.652 9.018 1.00 64.20 H new ATOM 0 HA THR A 118 -28.394 1.860 11.132 1.00 15.21 H new ATOM 0 HB THR A 118 -29.219 4.218 10.980 1.00 2.23 H new ATOM 0 HG1 THR A 118 -28.175 5.577 9.382 1.00 40.32 H new ATOM 0 HG21 THR A 118 -27.057 5.300 11.478 1.00 54.42 H new ATOM 0 HG22 THR A 118 -27.190 3.706 12.259 1.00 54.42 H new ATOM 0 HG23 THR A 118 -26.202 3.899 10.791 1.00 54.42 H new ATOM 1944 N SER A 119 -29.767 2.314 8.164 1.00 43.32 N ATOM 1945 CA SER A 119 -30.968 2.074 7.373 1.00 12.41 C ATOM 1946 C SER A 119 -31.304 0.587 7.333 1.00 33.23 C ATOM 1947 O SER A 119 -32.461 0.195 7.491 1.00 40.42 O ATOM 1948 CB SER A 119 -30.782 2.605 5.950 1.00 12.12 C ATOM 1949 OG SER A 119 -32.030 2.761 5.297 1.00 60.11 O ATOM 0 H SER A 119 -28.970 2.657 7.627 1.00 43.32 H new ATOM 0 HA SER A 119 -31.796 2.603 7.845 1.00 12.41 H new ATOM 0 HB2 SER A 119 -30.262 3.562 5.981 1.00 12.12 H new ATOM 0 HB3 SER A 119 -30.154 1.919 5.382 1.00 12.12 H new ATOM 0 HG SER A 119 -31.884 3.103 4.390 1.00 60.11 H new ATOM 1955 N PHE A 120 -30.284 -0.238 7.122 1.00 73.35 N ATOM 1956 CA PHE A 120 -30.470 -1.683 7.060 1.00 71.43 C ATOM 1957 C PHE A 120 -30.932 -2.230 8.407 1.00 35.40 C ATOM 1958 O PHE A 120 -31.876 -3.018 8.480 1.00 32.32 O ATOM 1959 CB PHE A 120 -29.169 -2.369 6.638 1.00 43.42 C ATOM 1960 CG PHE A 120 -29.282 -3.128 5.347 1.00 53.02 C ATOM 1961 CD1 PHE A 120 -29.381 -2.456 4.139 1.00 23.10 C ATOM 1962 CD2 PHE A 120 -29.290 -4.513 5.341 1.00 30.40 C ATOM 1963 CE1 PHE A 120 -29.486 -3.153 2.950 1.00 52.51 C ATOM 1964 CE2 PHE A 120 -29.395 -5.215 4.155 1.00 62.31 C ATOM 1965 CZ PHE A 120 -29.492 -4.534 2.958 1.00 41.33 C ATOM 0 H PHE A 120 -29.320 0.069 6.991 1.00 73.35 H new ATOM 0 HA PHE A 120 -31.241 -1.893 6.318 1.00 71.43 H new ATOM 0 HB2 PHE A 120 -28.386 -1.617 6.540 1.00 43.42 H new ATOM 0 HB3 PHE A 120 -28.857 -3.054 7.426 1.00 43.42 H new ATOM 0 HD1 PHE A 120 -29.376 -1.376 4.127 1.00 23.10 H new ATOM 0 HD2 PHE A 120 -29.213 -5.051 6.274 1.00 30.40 H new ATOM 0 HE1 PHE A 120 -29.563 -2.618 2.015 1.00 52.51 H new ATOM 0 HE2 PHE A 120 -29.401 -6.295 4.165 1.00 62.31 H new ATOM 0 HZ PHE A 120 -29.572 -5.080 2.030 1.00 41.33 H new ATOM 1975 N THR A 121 -30.260 -1.807 9.473 1.00 32.31 N ATOM 1976 CA THR A 121 -30.600 -2.255 10.818 1.00 44.11 C ATOM 1977 C THR A 121 -31.960 -1.719 11.249 1.00 72.32 C ATOM 1978 O THR A 121 -32.737 -2.422 11.895 1.00 2.43 O ATOM 1979 CB THR A 121 -29.538 -1.811 11.842 1.00 31.42 C ATOM 1980 OG1 THR A 121 -29.440 -0.383 11.859 1.00 51.11 O ATOM 1981 CG2 THR A 121 -28.181 -2.414 11.511 1.00 72.02 C ATOM 0 H THR A 121 -29.477 -1.155 9.431 1.00 32.31 H new ATOM 0 HA THR A 121 -30.635 -3.344 10.789 1.00 44.11 H new ATOM 0 HB THR A 121 -29.845 -2.165 12.826 1.00 31.42 H new ATOM 0 HG1 THR A 121 -28.904 -0.083 11.096 1.00 51.11 H new ATOM 0 HG21 THR A 121 -27.448 -2.086 12.248 1.00 72.02 H new ATOM 0 HG22 THR A 121 -28.252 -3.502 11.529 1.00 72.02 H new ATOM 0 HG23 THR A 121 -27.870 -2.087 10.519 1.00 72.02 H new ATOM 1989 N GLN A 122 -32.242 -0.472 10.886 1.00 61.13 N ATOM 1990 CA GLN A 122 -33.510 0.157 11.236 1.00 71.23 C ATOM 1991 C GLN A 122 -34.675 -0.550 10.551 1.00 34.14 C ATOM 1992 O GLN A 122 -35.678 -0.872 11.188 1.00 23.33 O ATOM 1993 CB GLN A 122 -33.495 1.636 10.845 1.00 20.31 C ATOM 1994 CG GLN A 122 -34.775 2.373 11.203 1.00 34.44 C ATOM 1995 CD GLN A 122 -35.074 3.518 10.256 1.00 31.11 C ATOM 1996 OE1 GLN A 122 -34.181 4.278 9.881 1.00 22.13 O ATOM 1997 NE2 GLN A 122 -36.336 3.648 9.863 1.00 21.42 N ATOM 0 H GLN A 122 -31.610 0.122 10.350 1.00 61.13 H new ATOM 0 HA GLN A 122 -33.642 0.075 12.315 1.00 71.23 H new ATOM 0 HB2 GLN A 122 -32.654 2.125 11.337 1.00 20.31 H new ATOM 0 HB3 GLN A 122 -33.327 1.718 9.771 1.00 20.31 H new ATOM 0 HG2 GLN A 122 -35.609 1.671 11.193 1.00 34.44 H new ATOM 0 HG3 GLN A 122 -34.695 2.759 12.219 1.00 34.44 H new ATOM 0 HE21 GLN A 122 -37.044 2.995 10.199 1.00 21.42 H new ATOM 0 HE22 GLN A 122 -36.597 4.400 9.226 1.00 21.42 H new ATOM 2006 N GLU A 123 -34.536 -0.788 9.251 1.00 41.41 N ATOM 2007 CA GLU A 123 -35.579 -1.455 8.481 1.00 64.52 C ATOM 2008 C GLU A 123 -35.793 -2.882 8.978 1.00 31.13 C ATOM 2009 O GLU A 123 -36.924 -3.363 9.053 1.00 12.53 O ATOM 2010 CB GLU A 123 -35.215 -1.471 6.995 1.00 72.14 C ATOM 2011 CG GLU A 123 -34.507 -2.741 6.555 1.00 61.45 C ATOM 2012 CD GLU A 123 -34.249 -2.778 5.061 1.00 50.13 C ATOM 2013 OE1 GLU A 123 -33.764 -1.763 4.518 1.00 24.11 O ATOM 2014 OE2 GLU A 123 -34.532 -3.820 4.434 1.00 35.34 O ATOM 0 H GLU A 123 -33.712 -0.529 8.709 1.00 41.41 H new ATOM 0 HA GLU A 123 -36.507 -0.898 8.615 1.00 64.52 H new ATOM 0 HB2 GLU A 123 -36.124 -1.349 6.406 1.00 72.14 H new ATOM 0 HB3 GLU A 123 -34.576 -0.615 6.777 1.00 72.14 H new ATOM 0 HG2 GLU A 123 -33.559 -2.826 7.086 1.00 61.45 H new ATOM 0 HG3 GLU A 123 -35.109 -3.605 6.837 1.00 61.45 H new ATOM 2021 N LYS A 124 -34.699 -3.555 9.317 1.00 64.13 N ATOM 2022 CA LYS A 124 -34.764 -4.926 9.808 1.00 72.42 C ATOM 2023 C LYS A 124 -35.439 -4.983 11.175 1.00 65.01 C ATOM 2024 O LYS A 124 -36.238 -5.880 11.448 1.00 43.24 O ATOM 2025 CB LYS A 124 -33.359 -5.526 9.895 1.00 31.52 C ATOM 2026 CG LYS A 124 -33.159 -6.738 9.002 1.00 63.41 C ATOM 2027 CD LYS A 124 -33.330 -6.384 7.534 1.00 3.22 C ATOM 2028 CE LYS A 124 -32.187 -5.514 7.034 1.00 3.22 C ATOM 2029 NZ LYS A 124 -31.524 -6.102 5.837 1.00 34.23 N ATOM 0 H LYS A 124 -33.755 -3.172 9.261 1.00 64.13 H new ATOM 0 HA LYS A 124 -35.358 -5.509 9.105 1.00 72.42 H new ATOM 0 HB2 LYS A 124 -32.630 -4.762 9.625 1.00 31.52 H new ATOM 0 HB3 LYS A 124 -33.157 -5.809 10.928 1.00 31.52 H new ATOM 0 HG2 LYS A 124 -32.163 -7.150 9.164 1.00 63.41 H new ATOM 0 HG3 LYS A 124 -33.874 -7.514 9.276 1.00 63.41 H new ATOM 0 HD2 LYS A 124 -33.379 -7.298 6.942 1.00 3.22 H new ATOM 0 HD3 LYS A 124 -34.276 -5.861 7.392 1.00 3.22 H new ATOM 0 HE2 LYS A 124 -32.566 -4.522 6.788 1.00 3.22 H new ATOM 0 HE3 LYS A 124 -31.453 -5.386 7.830 1.00 3.22 H new ATOM 0 HZ1 LYS A 124 -30.709 -5.515 5.568 1.00 34.23 H new ATOM 0 HZ2 LYS A 124 -31.199 -7.065 6.058 1.00 34.23 H new ATOM 0 HZ3 LYS A 124 -32.200 -6.137 5.048 1.00 34.23 H new ATOM 2043 N LEU A 125 -35.113 -4.020 12.030 1.00 20.23 N ATOM 2044 CA LEU A 125 -35.689 -3.960 13.369 1.00 3.43 C ATOM 2045 C LEU A 125 -37.173 -3.612 13.309 1.00 62.52 C ATOM 2046 O LEU A 125 -37.973 -4.125 14.092 1.00 3.40 O ATOM 2047 CB LEU A 125 -34.946 -2.927 14.219 1.00 41.11 C ATOM 2048 CG LEU A 125 -35.677 -1.606 14.461 1.00 33.14 C ATOM 2049 CD1 LEU A 125 -36.878 -1.820 15.370 1.00 4.25 C ATOM 2050 CD2 LEU A 125 -34.731 -0.574 15.058 1.00 72.22 C ATOM 0 H LEU A 125 -34.454 -3.271 11.820 1.00 20.23 H new ATOM 0 HA LEU A 125 -35.584 -4.943 13.827 1.00 3.43 H new ATOM 0 HB2 LEU A 125 -34.720 -3.377 15.186 1.00 41.11 H new ATOM 0 HB3 LEU A 125 -33.992 -2.709 13.738 1.00 41.11 H new ATOM 0 HG LEU A 125 -36.035 -1.230 13.503 1.00 33.14 H new ATOM 0 HD11 LEU A 125 -37.386 -0.869 15.531 1.00 4.25 H new ATOM 0 HD12 LEU A 125 -37.566 -2.525 14.904 1.00 4.25 H new ATOM 0 HD13 LEU A 125 -36.543 -2.219 16.327 1.00 4.25 H new ATOM 0 HD21 LEU A 125 -35.269 0.360 15.223 1.00 72.22 H new ATOM 0 HD22 LEU A 125 -34.343 -0.942 16.008 1.00 72.22 H new ATOM 0 HD23 LEU A 125 -33.903 -0.399 14.371 1.00 72.22 H new ATOM 2062 N ASP A 126 -37.533 -2.741 12.373 1.00 74.41 N ATOM 2063 CA ASP A 126 -38.922 -2.328 12.207 1.00 32.24 C ATOM 2064 C ASP A 126 -39.795 -3.509 11.794 1.00 21.10 C ATOM 2065 O ASP A 126 -40.910 -3.671 12.288 1.00 21.44 O ATOM 2066 CB ASP A 126 -39.024 -1.213 11.165 1.00 31.24 C ATOM 2067 CG ASP A 126 -40.210 -0.300 11.408 1.00 20.54 C ATOM 2068 OD1 ASP A 126 -41.229 -0.783 11.944 1.00 14.21 O ATOM 2069 OD2 ASP A 126 -40.119 0.896 11.062 1.00 41.20 O ATOM 0 H ASP A 126 -36.883 -2.307 11.718 1.00 74.41 H new ATOM 0 HA ASP A 126 -39.280 -1.953 13.166 1.00 32.24 H new ATOM 0 HB2 ASP A 126 -38.107 -0.624 11.177 1.00 31.24 H new ATOM 0 HB3 ASP A 126 -39.106 -1.654 10.172 1.00 31.24 H new ATOM 2074 N GLU A 127 -39.279 -4.329 10.884 1.00 75.52 N ATOM 2075 CA GLU A 127 -40.014 -5.494 10.403 1.00 64.00 C ATOM 2076 C GLU A 127 -40.123 -6.556 11.493 1.00 22.40 C ATOM 2077 O GLU A 127 -41.147 -7.227 11.622 1.00 55.24 O ATOM 2078 CB GLU A 127 -39.328 -6.083 9.168 1.00 22.05 C ATOM 2079 CG GLU A 127 -37.868 -6.439 9.395 1.00 41.43 C ATOM 2080 CD GLU A 127 -37.277 -7.236 8.248 1.00 33.11 C ATOM 2081 OE1 GLU A 127 -36.889 -6.618 7.235 1.00 44.02 O ATOM 2082 OE2 GLU A 127 -37.204 -8.477 8.364 1.00 61.24 O ATOM 0 H GLU A 127 -38.357 -4.209 10.465 1.00 75.52 H new ATOM 0 HA GLU A 127 -41.019 -5.172 10.132 1.00 64.00 H new ATOM 0 HB2 GLU A 127 -39.867 -6.977 8.855 1.00 22.05 H new ATOM 0 HB3 GLU A 127 -39.396 -5.367 8.349 1.00 22.05 H new ATOM 0 HG2 GLU A 127 -37.292 -5.524 9.532 1.00 41.43 H new ATOM 0 HG3 GLU A 127 -37.777 -7.014 10.317 1.00 41.43 H new ATOM 2089 N PHE A 128 -39.059 -6.704 12.275 1.00 20.45 N ATOM 2090 CA PHE A 128 -39.034 -7.686 13.354 1.00 44.13 C ATOM 2091 C PHE A 128 -40.278 -7.565 14.229 1.00 42.22 C ATOM 2092 O PHE A 128 -40.986 -8.545 14.456 1.00 12.02 O ATOM 2093 CB PHE A 128 -37.777 -7.505 14.207 1.00 5.01 C ATOM 2094 CG PHE A 128 -36.649 -8.416 13.814 1.00 42.22 C ATOM 2095 CD1 PHE A 128 -36.880 -9.759 13.566 1.00 21.32 C ATOM 2096 CD2 PHE A 128 -35.357 -7.928 13.692 1.00 35.41 C ATOM 2097 CE1 PHE A 128 -35.844 -10.600 13.204 1.00 74.13 C ATOM 2098 CE2 PHE A 128 -34.318 -8.764 13.330 1.00 72.24 C ATOM 2099 CZ PHE A 128 -34.562 -10.102 13.086 1.00 3.13 C ATOM 0 H PHE A 128 -38.203 -6.157 12.182 1.00 20.45 H new ATOM 0 HA PHE A 128 -39.022 -8.680 12.907 1.00 44.13 H new ATOM 0 HB2 PHE A 128 -37.442 -6.471 14.130 1.00 5.01 H new ATOM 0 HB3 PHE A 128 -38.029 -7.682 15.253 1.00 5.01 H new ATOM 0 HD1 PHE A 128 -37.881 -10.154 13.656 1.00 21.32 H new ATOM 0 HD2 PHE A 128 -35.161 -6.883 13.882 1.00 35.41 H new ATOM 0 HE1 PHE A 128 -36.038 -11.645 13.014 1.00 74.13 H new ATOM 0 HE2 PHE A 128 -33.316 -8.372 13.238 1.00 72.24 H new ATOM 0 HZ PHE A 128 -33.751 -10.757 12.803 1.00 3.13 H new ATOM 2109 N GLN A 129 -40.535 -6.356 14.716 1.00 14.55 N ATOM 2110 CA GLN A 129 -41.693 -6.106 15.568 1.00 61.35 C ATOM 2111 C GLN A 129 -42.975 -6.592 14.899 1.00 23.32 C ATOM 2112 O GLN A 129 -43.837 -7.184 15.546 1.00 34.32 O ATOM 2113 CB GLN A 129 -41.805 -4.615 15.889 1.00 42.15 C ATOM 2114 CG GLN A 129 -41.435 -4.272 17.323 1.00 55.13 C ATOM 2115 CD GLN A 129 -41.764 -2.836 17.682 1.00 22.34 C ATOM 2116 OE1 GLN A 129 -40.890 -2.071 18.089 1.00 4.43 O ATOM 2117 NE2 GLN A 129 -43.030 -2.463 17.534 1.00 65.11 N ATOM 0 H GLN A 129 -39.958 -5.534 14.536 1.00 14.55 H new ATOM 0 HA GLN A 129 -41.556 -6.660 16.496 1.00 61.35 H new ATOM 0 HB2 GLN A 129 -41.158 -4.057 15.212 1.00 42.15 H new ATOM 0 HB3 GLN A 129 -42.826 -4.286 15.698 1.00 42.15 H new ATOM 0 HG2 GLN A 129 -41.963 -4.942 18.001 1.00 55.13 H new ATOM 0 HG3 GLN A 129 -40.369 -4.445 17.471 1.00 55.13 H new ATOM 0 HE21 GLN A 129 -43.722 -3.131 17.193 1.00 65.11 H new ATOM 0 HE22 GLN A 129 -43.310 -1.509 17.761 1.00 65.11 H new ATOM 2126 N ASN A 130 -43.092 -6.337 13.600 1.00 32.31 N ATOM 2127 CA ASN A 130 -44.270 -6.748 12.844 1.00 63.20 C ATOM 2128 C ASN A 130 -44.676 -8.174 13.203 1.00 73.22 C ATOM 2129 O ASN A 130 -45.863 -8.488 13.296 1.00 20.22 O ATOM 2130 CB ASN A 130 -43.998 -6.646 11.342 1.00 70.13 C ATOM 2131 CG ASN A 130 -45.053 -5.832 10.618 1.00 42.15 C ATOM 2132 OD1 ASN A 130 -45.878 -5.167 11.244 1.00 43.51 O ATOM 2133 ND2 ASN A 130 -45.030 -5.882 9.291 1.00 55.43 N ATOM 0 H ASN A 130 -42.386 -5.848 13.049 1.00 32.31 H new ATOM 0 HA ASN A 130 -45.090 -6.079 13.104 1.00 63.20 H new ATOM 0 HB2 ASN A 130 -43.020 -6.192 11.183 1.00 70.13 H new ATOM 0 HB3 ASN A 130 -43.958 -7.648 10.914 1.00 70.13 H new ATOM 0 HD21 ASN A 130 -45.715 -5.355 8.749 1.00 55.43 H new ATOM 0 HD22 ASN A 130 -44.327 -6.447 8.814 1.00 55.43 H new ATOM 2140 N VAL A 131 -43.683 -9.034 13.404 1.00 62.35 N ATOM 2141 CA VAL A 131 -43.936 -10.427 13.754 1.00 51.31 C ATOM 2142 C VAL A 131 -42.674 -11.098 14.284 1.00 73.40 C ATOM 2143 O VAL A 131 -42.045 -11.898 13.591 1.00 54.14 O ATOM 2144 CB VAL A 131 -44.459 -11.224 12.544 1.00 11.31 C ATOM 2145 CG1 VAL A 131 -43.683 -10.859 11.288 1.00 25.11 C ATOM 2146 CG2 VAL A 131 -44.378 -12.718 12.816 1.00 71.31 C ATOM 0 H VAL A 131 -42.695 -8.791 13.330 1.00 62.35 H new ATOM 0 HA VAL A 131 -44.697 -10.424 14.534 1.00 51.31 H new ATOM 0 HB VAL A 131 -45.505 -10.963 12.384 1.00 11.31 H new ATOM 0 HG11 VAL A 131 -44.067 -11.432 10.444 1.00 25.11 H new ATOM 0 HG12 VAL A 131 -43.798 -9.794 11.086 1.00 25.11 H new ATOM 0 HG13 VAL A 131 -42.627 -11.089 11.433 1.00 25.11 H new ATOM 0 HG21 VAL A 131 -44.751 -13.266 11.951 1.00 71.31 H new ATOM 0 HG22 VAL A 131 -43.341 -12.998 13.003 1.00 71.31 H new ATOM 0 HG23 VAL A 131 -44.983 -12.962 13.689 1.00 71.31 H new ATOM 2156 N VAL A 132 -42.309 -10.769 15.519 1.00 51.42 N ATOM 2157 CA VAL A 132 -41.123 -11.341 16.144 1.00 44.02 C ATOM 2158 C VAL A 132 -41.479 -12.562 16.984 1.00 11.13 C ATOM 2159 O VAL A 132 -42.467 -12.556 17.718 1.00 64.01 O ATOM 2160 CB VAL A 132 -40.405 -10.310 17.035 1.00 43.14 C ATOM 2161 CG1 VAL A 132 -41.346 -9.783 18.107 1.00 52.44 C ATOM 2162 CG2 VAL A 132 -39.160 -10.922 17.660 1.00 13.43 C ATOM 0 H VAL A 132 -42.818 -10.109 16.107 1.00 51.42 H new ATOM 0 HA VAL A 132 -40.454 -11.641 15.337 1.00 44.02 H new ATOM 0 HB VAL A 132 -40.096 -9.470 16.413 1.00 43.14 H new ATOM 0 HG11 VAL A 132 -40.821 -9.056 18.727 1.00 52.44 H new ATOM 0 HG12 VAL A 132 -42.204 -9.305 17.635 1.00 52.44 H new ATOM 0 HG13 VAL A 132 -41.688 -10.610 18.729 1.00 52.44 H new ATOM 0 HG21 VAL A 132 -38.665 -10.180 18.286 1.00 13.43 H new ATOM 0 HG22 VAL A 132 -39.443 -11.780 18.269 1.00 13.43 H new ATOM 0 HG23 VAL A 132 -38.479 -11.245 16.873 1.00 13.43 H new ATOM 2172 N ASN A 133 -40.667 -13.608 16.872 1.00 32.22 N ATOM 2173 CA ASN A 133 -40.897 -14.838 17.622 1.00 1.33 C ATOM 2174 C ASN A 133 -40.655 -14.619 19.113 1.00 40.23 C ATOM 2175 O ASN A 133 -39.530 -14.749 19.597 1.00 40.44 O ATOM 2176 CB ASN A 133 -39.986 -15.953 17.105 1.00 74.12 C ATOM 2177 CG ASN A 133 -40.767 -17.163 16.630 1.00 32.42 C ATOM 2178 OD1 ASN A 133 -41.101 -18.049 17.418 1.00 45.21 O ATOM 2179 ND2 ASN A 133 -41.063 -17.207 15.336 1.00 5.42 N ATOM 0 H ASN A 133 -39.844 -13.629 16.270 1.00 32.22 H new ATOM 0 HA ASN A 133 -41.937 -15.132 17.480 1.00 1.33 H new ATOM 0 HB2 ASN A 133 -39.378 -15.571 16.285 1.00 74.12 H new ATOM 0 HB3 ASN A 133 -39.300 -16.254 17.897 1.00 74.12 H new ATOM 0 HD21 ASN A 133 -41.587 -17.997 14.959 1.00 5.42 H new ATOM 0 HD22 ASN A 133 -40.766 -16.451 14.719 1.00 5.42 H new ATOM 2186 N THR A 134 -41.719 -14.286 19.837 1.00 71.31 N ATOM 2187 CA THR A 134 -41.623 -14.049 21.272 1.00 53.23 C ATOM 2188 C THR A 134 -42.951 -13.559 21.838 1.00 52.13 C ATOM 2189 O THR A 134 -43.360 -13.965 22.925 1.00 4.03 O ATOM 2190 CB THR A 134 -40.527 -13.017 21.598 1.00 31.34 C ATOM 2191 OG1 THR A 134 -40.722 -12.497 22.918 1.00 2.21 O ATOM 2192 CG2 THR A 134 -40.539 -11.877 20.591 1.00 33.33 C ATOM 0 H THR A 134 -42.657 -14.174 19.453 1.00 71.31 H new ATOM 0 HA THR A 134 -41.364 -15.002 21.734 1.00 53.23 H new ATOM 0 HB THR A 134 -39.560 -13.517 21.544 1.00 31.34 H new ATOM 0 HG1 THR A 134 -40.021 -11.843 23.119 1.00 2.21 H new ATOM 0 HG21 THR A 134 -39.756 -11.161 20.842 1.00 33.33 H new ATOM 0 HG22 THR A 134 -40.361 -12.273 19.591 1.00 33.33 H new ATOM 0 HG23 THR A 134 -41.508 -11.379 20.617 1.00 33.33 H new ATOM 2200 N GLN A 135 -43.620 -12.685 21.093 1.00 54.02 N ATOM 2201 CA GLN A 135 -44.903 -12.140 21.522 1.00 60.20 C ATOM 2202 C GLN A 135 -44.906 -11.874 23.024 1.00 74.33 C ATOM 2203 O GLN A 135 -45.526 -12.609 23.793 1.00 63.32 O ATOM 2204 CB GLN A 135 -46.036 -13.102 21.160 1.00 52.43 C ATOM 2205 CG GLN A 135 -47.300 -12.402 20.688 1.00 55.51 C ATOM 2206 CD GLN A 135 -48.496 -12.696 21.573 1.00 65.00 C ATOM 2207 OE1 GLN A 135 -48.496 -13.664 22.334 1.00 63.33 O ATOM 2208 NE2 GLN A 135 -49.523 -11.860 21.478 1.00 1.05 N ATOM 0 H GLN A 135 -43.295 -12.339 20.190 1.00 54.02 H new ATOM 0 HA GLN A 135 -45.060 -11.194 21.004 1.00 60.20 H new ATOM 0 HB2 GLN A 135 -45.691 -13.778 20.378 1.00 52.43 H new ATOM 0 HB3 GLN A 135 -46.273 -13.715 22.030 1.00 52.43 H new ATOM 0 HG2 GLN A 135 -47.127 -11.326 20.663 1.00 55.51 H new ATOM 0 HG3 GLN A 135 -47.523 -12.713 19.667 1.00 55.51 H new ATOM 0 HE21 GLN A 135 -49.480 -11.070 20.834 1.00 1.05 H new ATOM 0 HE22 GLN A 135 -50.355 -12.007 22.049 1.00 1.05 H new ATOM 2217 N SER A 136 -44.210 -10.819 23.434 1.00 33.15 N ATOM 2218 CA SER A 136 -44.130 -10.459 24.845 1.00 4.41 C ATOM 2219 C SER A 136 -43.191 -9.274 25.050 1.00 3.41 C ATOM 2220 O SER A 136 -42.526 -8.824 24.115 1.00 14.35 O ATOM 2221 CB SER A 136 -43.650 -11.653 25.672 1.00 63.01 C ATOM 2222 OG SER A 136 -44.652 -12.082 26.577 1.00 2.04 O ATOM 0 H SER A 136 -43.694 -10.199 22.810 1.00 33.15 H new ATOM 0 HA SER A 136 -45.127 -10.173 25.179 1.00 4.41 H new ATOM 0 HB2 SER A 136 -43.380 -12.474 25.008 1.00 63.01 H new ATOM 0 HB3 SER A 136 -42.750 -11.379 26.223 1.00 63.01 H new ATOM 0 HG SER A 136 -45.394 -12.483 26.078 1.00 2.04 H new ATOM 2228 N LEU A 137 -43.141 -8.772 26.279 1.00 21.43 N ATOM 2229 CA LEU A 137 -42.284 -7.639 26.609 1.00 24.13 C ATOM 2230 C LEU A 137 -40.872 -8.105 26.949 1.00 65.20 C ATOM 2231 O LEU A 137 -40.553 -9.287 26.828 1.00 25.51 O ATOM 2232 CB LEU A 137 -42.871 -6.855 27.784 1.00 23.35 C ATOM 2233 CG LEU A 137 -43.784 -5.684 27.421 1.00 43.13 C ATOM 2234 CD1 LEU A 137 -45.210 -5.959 27.871 1.00 1.24 C ATOM 2235 CD2 LEU A 137 -43.267 -4.393 28.039 1.00 44.15 C ATOM 0 H LEU A 137 -43.684 -9.132 27.064 1.00 21.43 H new ATOM 0 HA LEU A 137 -42.232 -6.988 25.736 1.00 24.13 H new ATOM 0 HB2 LEU A 137 -43.433 -7.547 28.412 1.00 23.35 H new ATOM 0 HB3 LEU A 137 -42.048 -6.474 28.388 1.00 23.35 H new ATOM 0 HG LEU A 137 -43.783 -5.570 26.337 1.00 43.13 H new ATOM 0 HD11 LEU A 137 -45.845 -5.114 27.604 1.00 1.24 H new ATOM 0 HD12 LEU A 137 -45.579 -6.860 27.381 1.00 1.24 H new ATOM 0 HD13 LEU A 137 -45.230 -6.100 28.952 1.00 1.24 H new ATOM 0 HD21 LEU A 137 -43.929 -3.570 27.770 1.00 44.15 H new ATOM 0 HD22 LEU A 137 -43.237 -4.495 29.124 1.00 44.15 H new ATOM 0 HD23 LEU A 137 -42.263 -4.188 27.666 1.00 44.15 H new ATOM 2247 N GLU A 138 -40.031 -7.168 27.376 1.00 31.03 N ATOM 2248 CA GLU A 138 -38.653 -7.484 27.735 1.00 75.22 C ATOM 2249 C GLU A 138 -38.600 -8.291 29.029 1.00 64.42 C ATOM 2250 O GLU A 138 -39.597 -8.879 29.447 1.00 3.42 O ATOM 2251 CB GLU A 138 -37.835 -6.200 27.887 1.00 32.33 C ATOM 2252 CG GLU A 138 -38.237 -5.362 29.089 1.00 40.52 C ATOM 2253 CD GLU A 138 -39.035 -4.132 28.701 1.00 1.32 C ATOM 2254 OE1 GLU A 138 -38.544 -3.347 27.863 1.00 50.22 O ATOM 2255 OE2 GLU A 138 -40.149 -3.954 29.236 1.00 52.12 O ATOM 0 H GLU A 138 -40.280 -6.184 27.482 1.00 31.03 H new ATOM 0 HA GLU A 138 -38.224 -8.086 26.934 1.00 75.22 H new ATOM 0 HB2 GLU A 138 -36.780 -6.459 27.972 1.00 32.33 H new ATOM 0 HB3 GLU A 138 -37.944 -5.600 26.983 1.00 32.33 H new ATOM 0 HG2 GLU A 138 -38.827 -5.973 29.772 1.00 40.52 H new ATOM 0 HG3 GLU A 138 -37.341 -5.054 29.629 1.00 40.52 H new TER 2262 GLU A 138