USER MOD reduce.3.24.130724 H: found=0, std=0, add=1267, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1268 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: B 66 MET CE :methyl -111:sc= -3.39 (180deg=-8.73!) USER MOD Set 1.2: B 67 THR OG1 : rot 180:sc= -0.28 USER MOD Set 2.1: B 19 SER OG : rot 180:sc= 0.0303 USER MOD Set 2.2: B 22 GLN : amide:sc= -0.131 K(o=-0.1,f=-2.8!) USER MOD Set 3.1: A 66 MET CE :methyl -113:sc= -3.76 (180deg=-8.91!) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= -0.404 USER MOD Set 4.1: A 62 THR OG1 : rot 97:sc= 0.833 USER MOD Set 4.2: A 76 GLN :FLIP amide:sc= -1.36! F(o=-1.4,f=-0.53!) USER MOD Set 5.1: A 15 SER OG : rot -74:sc= 1.21 USER MOD Set 5.2: A 60 LYS NZ :NH3+ 135:sc= -0.681 (180deg=-2.64!) USER MOD Set 5.3: A 61 TYR OH : rot -102:sc= 0.0504 USER MOD Set 6.1: A 51 ASN :FLIP amide:sc= 0 X(o=-1.6,f=-1.4) USER MOD Set 6.2: A 54 GLN :FLIP amide:sc= -1.42 X(o=-1.8,f=-1.4) USER MOD Set 7.1: A 50 MET CE :methyl -166:sc= -0.696 (180deg=-1.37) USER MOD Set 7.2: B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: B 50 MET CE :methyl -166:sc= -0.436 (180deg=-1.3) USER MOD Single : A 4 THR OG1 : rot 18:sc= 0.779 USER MOD Single : A 6 SER OG : rot 96:sc= 0.699 USER MOD Single : A 12 MET CE :methyl -149:sc= -1.87 (180deg=-3.65!) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.163 (180deg=-0.681) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.31) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00996 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 112:sc= 0.89 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 81:sc= 0.156 USER MOD Single : A 46 THR OG1 : rot -130:sc= 0 USER MOD Single : A 49 MET CE :methyl 147:sc= -3.32 (180deg=-6.49!) USER MOD Single : A 55 THR OG1 : rot -101:sc= 0.521 USER MOD Single : A 57 GLN : amide:sc= -3.78! C(o=-3.8!,f=-7.6!) USER MOD Single : A 59 THR OG1 : rot 15:sc= 0.251 USER MOD Single : A 68 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.32) USER MOD Single : A 69 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 74 SER OG : rot -150:sc= -0.04 USER MOD Single : A 83 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : B 4 THR OG1 : rot 27:sc= 0.34 USER MOD Single : B 6 SER OG : rot 92:sc= 1.09 USER MOD Single : B 12 MET CE :methyl 147:sc= -4.87! (180deg=-5.06!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= -0.0735 (180deg=-0.0735) USER MOD Single : B 15 SER OG : rot -82:sc= 1.1 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : B 27 THR OG1 : rot -65:sc= 0.138 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 113:sc= 1.28 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0.138 USER MOD Single : B 46 THR OG1 : rot -170:sc= 0 USER MOD Single : B 49 MET CE :methyl 154:sc= -2.61 (180deg=-4.8!) USER MOD Single : B 51 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : B 54 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : B 55 THR OG1 : rot -97:sc= 0.141 USER MOD Single : B 57 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.9!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 LYS NZ :NH3+ -127:sc= -0.0784 (180deg=-0.738) USER MOD Single : B 61 TYR OH : rot 180:sc= -0.0816 USER MOD Single : B 62 THR OG1 : rot -73:sc= 0.803 USER MOD Single : B 68 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : B 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 SER OG : rot 110:sc= -1.64 USER MOD Single : B 76 GLN : amide:sc= -2.94! C(o=-2.9!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 4.920 5.875 -6.762 1.00 55.11 N ATOM 44 CA THR A 4 5.944 6.713 -7.373 1.00 61.02 C ATOM 45 C THR A 4 5.542 8.184 -7.339 1.00 34.12 C ATOM 46 O THR A 4 4.368 8.512 -7.161 1.00 24.32 O ATOM 47 CB THR A 4 6.213 6.299 -8.832 1.00 65.03 C ATOM 48 OG1 THR A 4 5.566 5.053 -9.115 1.00 41.45 O ATOM 49 CG2 THR A 4 7.706 6.172 -9.091 1.00 24.23 C ATOM 0 HA THR A 4 6.855 6.574 -6.791 1.00 61.02 H new ATOM 0 HB THR A 4 5.811 7.073 -9.487 1.00 65.03 H new ATOM 0 HG1 THR A 4 4.878 4.881 -8.439 1.00 41.45 H new ATOM 0 HG21 THR A 4 7.872 5.879 -10.128 1.00 24.23 H new ATOM 0 HG22 THR A 4 8.191 7.130 -8.903 1.00 24.23 H new ATOM 0 HG23 THR A 4 8.127 5.416 -8.428 1.00 24.23 H new ATOM 57 N ILE A 5 6.522 9.064 -7.513 1.00 21.33 N ATOM 58 CA ILE A 5 6.268 10.499 -7.504 1.00 1.35 C ATOM 59 C ILE A 5 5.139 10.864 -8.462 1.00 62.20 C ATOM 60 O ILE A 5 4.197 11.564 -8.090 1.00 53.40 O ATOM 61 CB ILE A 5 7.530 11.296 -7.888 1.00 73.54 C ATOM 62 CG1 ILE A 5 8.685 10.947 -6.948 1.00 25.20 C ATOM 63 CG2 ILE A 5 7.244 12.790 -7.853 1.00 34.15 C ATOM 64 CD1 ILE A 5 9.986 10.665 -7.668 1.00 64.05 C ATOM 0 H ILE A 5 7.498 8.809 -7.662 1.00 21.33 H new ATOM 0 HA ILE A 5 5.977 10.762 -6.487 1.00 1.35 H new ATOM 0 HB ILE A 5 7.818 11.025 -8.904 1.00 73.54 H new ATOM 0 HG12 ILE A 5 8.836 11.771 -6.250 1.00 25.20 H new ATOM 0 HG13 ILE A 5 8.410 10.074 -6.356 1.00 25.20 H new ATOM 0 HG21 ILE A 5 8.145 13.339 -8.126 1.00 34.15 H new ATOM 0 HG22 ILE A 5 6.447 13.025 -8.559 1.00 34.15 H new ATOM 0 HG23 ILE A 5 6.935 13.078 -6.848 1.00 34.15 H new ATOM 0 HD11 ILE A 5 10.760 10.425 -6.939 1.00 64.05 H new ATOM 0 HD12 ILE A 5 9.851 9.822 -8.346 1.00 64.05 H new ATOM 0 HD13 ILE A 5 10.284 11.545 -8.238 1.00 64.05 H new ATOM 76 N SER A 6 5.240 10.384 -9.697 1.00 63.44 N ATOM 77 CA SER A 6 4.229 10.661 -10.710 1.00 34.41 C ATOM 78 C SER A 6 2.834 10.326 -10.191 1.00 2.22 C ATOM 79 O SER A 6 1.883 11.076 -10.409 1.00 53.23 O ATOM 80 CB SER A 6 4.517 9.860 -11.982 1.00 71.40 C ATOM 81 OG SER A 6 3.601 8.789 -12.128 1.00 42.32 O ATOM 0 H SER A 6 6.012 9.801 -10.020 1.00 63.44 H new ATOM 0 HA SER A 6 4.266 11.725 -10.943 1.00 34.41 H new ATOM 0 HB2 SER A 6 4.456 10.516 -12.850 1.00 71.40 H new ATOM 0 HB3 SER A 6 5.534 9.470 -11.948 1.00 71.40 H new ATOM 0 HG SER A 6 2.864 9.066 -12.712 1.00 42.32 H new ATOM 87 N GLU A 7 2.721 9.195 -9.502 1.00 61.11 N ATOM 88 CA GLU A 7 1.443 8.760 -8.952 1.00 23.42 C ATOM 89 C GLU A 7 0.909 9.777 -7.947 1.00 40.04 C ATOM 90 O GLU A 7 -0.301 9.967 -7.821 1.00 33.31 O ATOM 91 CB GLU A 7 1.589 7.392 -8.281 1.00 72.32 C ATOM 92 CG GLU A 7 2.118 6.313 -9.211 1.00 53.22 C ATOM 93 CD GLU A 7 1.029 5.693 -10.064 1.00 62.25 C ATOM 94 OE1 GLU A 7 0.116 6.432 -10.488 1.00 50.32 O ATOM 95 OE2 GLU A 7 1.089 4.470 -10.308 1.00 43.33 O ATOM 0 H GLU A 7 3.499 8.564 -9.312 1.00 61.11 H new ATOM 0 HA GLU A 7 0.732 8.679 -9.774 1.00 23.42 H new ATOM 0 HB2 GLU A 7 2.260 7.485 -7.427 1.00 72.32 H new ATOM 0 HB3 GLU A 7 0.619 7.082 -7.892 1.00 72.32 H new ATOM 0 HG2 GLU A 7 2.883 6.740 -9.859 1.00 53.22 H new ATOM 0 HG3 GLU A 7 2.600 5.534 -8.620 1.00 53.22 H new ATOM 102 N LYS A 8 1.821 10.428 -7.232 1.00 33.13 N ATOM 103 CA LYS A 8 1.445 11.426 -6.238 1.00 4.14 C ATOM 104 C LYS A 8 0.882 12.676 -6.907 1.00 74.14 C ATOM 105 O LYS A 8 0.342 13.558 -6.240 1.00 64.53 O ATOM 106 CB LYS A 8 2.653 11.797 -5.375 1.00 75.53 C ATOM 107 CG LYS A 8 3.490 10.601 -4.955 1.00 22.34 C ATOM 108 CD LYS A 8 4.333 10.913 -3.729 1.00 11.10 C ATOM 109 CE LYS A 8 3.994 9.987 -2.571 1.00 11.21 C ATOM 110 NZ LYS A 8 5.213 9.561 -1.828 1.00 5.33 N ATOM 0 H LYS A 8 2.826 10.282 -7.323 1.00 33.13 H new ATOM 0 HA LYS A 8 0.671 10.995 -5.603 1.00 4.14 H new ATOM 0 HB2 LYS A 8 3.283 12.495 -5.927 1.00 75.53 H new ATOM 0 HB3 LYS A 8 2.305 12.318 -4.483 1.00 75.53 H new ATOM 0 HG2 LYS A 8 2.836 9.755 -4.743 1.00 22.34 H new ATOM 0 HG3 LYS A 8 4.140 10.303 -5.778 1.00 22.34 H new ATOM 0 HD2 LYS A 8 5.390 10.815 -3.978 1.00 11.10 H new ATOM 0 HD3 LYS A 8 4.171 11.948 -3.428 1.00 11.10 H new ATOM 0 HE2 LYS A 8 3.311 10.493 -1.889 1.00 11.21 H new ATOM 0 HE3 LYS A 8 3.473 9.107 -2.949 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 4.941 8.931 -1.047 1.00 5.33 H new ATOM 0 HZ2 LYS A 8 5.854 9.056 -2.473 1.00 5.33 H new ATOM 0 HZ3 LYS A 8 5.697 10.398 -1.445 1.00 5.33 H new ATOM 124 N ILE A 9 1.012 12.743 -8.228 1.00 15.20 N ATOM 125 CA ILE A 9 0.514 13.884 -8.987 1.00 41.10 C ATOM 126 C ILE A 9 -0.665 13.485 -9.868 1.00 71.21 C ATOM 127 O ILE A 9 -1.278 14.329 -10.522 1.00 5.21 O ATOM 128 CB ILE A 9 1.617 14.497 -9.870 1.00 42.44 C ATOM 129 CG1 ILE A 9 2.916 14.640 -9.075 1.00 3.22 C ATOM 130 CG2 ILE A 9 1.171 15.846 -10.414 1.00 73.14 C ATOM 131 CD1 ILE A 9 4.055 15.228 -9.879 1.00 55.24 C ATOM 0 H ILE A 9 1.458 12.021 -8.794 1.00 15.20 H new ATOM 0 HA ILE A 9 0.186 14.628 -8.261 1.00 41.10 H new ATOM 0 HB ILE A 9 1.800 13.830 -10.712 1.00 42.44 H new ATOM 0 HG12 ILE A 9 2.733 15.271 -8.205 1.00 3.22 H new ATOM 0 HG13 ILE A 9 3.214 13.660 -8.701 1.00 3.22 H new ATOM 0 HG21 ILE A 9 1.961 16.267 -11.036 1.00 73.14 H new ATOM 0 HG22 ILE A 9 0.269 15.717 -11.012 1.00 73.14 H new ATOM 0 HG23 ILE A 9 0.963 16.522 -9.585 1.00 73.14 H new ATOM 0 HD11 ILE A 9 4.944 15.300 -9.252 1.00 55.24 H new ATOM 0 HD12 ILE A 9 4.266 14.586 -10.735 1.00 55.24 H new ATOM 0 HD13 ILE A 9 3.777 16.222 -10.230 1.00 55.24 H new ATOM 143 N VAL A 10 -0.977 12.193 -9.880 1.00 4.30 N ATOM 144 CA VAL A 10 -2.085 11.682 -10.679 1.00 43.34 C ATOM 145 C VAL A 10 -3.348 11.537 -9.838 1.00 34.04 C ATOM 146 O VAL A 10 -4.409 12.050 -10.197 1.00 71.51 O ATOM 147 CB VAL A 10 -1.741 10.319 -11.308 1.00 22.34 C ATOM 148 CG1 VAL A 10 -2.891 9.824 -12.172 1.00 23.30 C ATOM 149 CG2 VAL A 10 -0.458 10.416 -12.119 1.00 51.14 C ATOM 0 H VAL A 10 -0.479 11.481 -9.346 1.00 4.30 H new ATOM 0 HA VAL A 10 -2.263 12.406 -11.474 1.00 43.34 H new ATOM 0 HB VAL A 10 -1.584 9.598 -10.506 1.00 22.34 H new ATOM 0 HG11 VAL A 10 -2.630 8.860 -12.608 1.00 23.30 H new ATOM 0 HG12 VAL A 10 -3.786 9.715 -11.559 1.00 23.30 H new ATOM 0 HG13 VAL A 10 -3.083 10.543 -12.969 1.00 23.30 H new ATOM 0 HG21 VAL A 10 -0.230 9.444 -12.556 1.00 51.14 H new ATOM 0 HG22 VAL A 10 -0.585 11.151 -12.914 1.00 51.14 H new ATOM 0 HG23 VAL A 10 0.361 10.723 -11.469 1.00 51.14 H new ATOM 159 N LEU A 11 -3.228 10.837 -8.716 1.00 33.50 N ATOM 160 CA LEU A 11 -4.360 10.624 -7.821 1.00 22.11 C ATOM 161 C LEU A 11 -5.038 11.946 -7.477 1.00 23.40 C ATOM 162 O LEU A 11 -6.251 12.090 -7.623 1.00 73.14 O ATOM 163 CB LEU A 11 -3.900 9.925 -6.541 1.00 73.11 C ATOM 164 CG LEU A 11 -2.621 10.468 -5.902 1.00 24.02 C ATOM 165 CD1 LEU A 11 -2.956 11.414 -4.759 1.00 11.31 C ATOM 166 CD2 LEU A 11 -1.743 9.326 -5.413 1.00 62.13 C ATOM 0 H LEU A 11 -2.357 10.407 -8.404 1.00 33.50 H new ATOM 0 HA LEU A 11 -5.082 9.989 -8.334 1.00 22.11 H new ATOM 0 HB2 LEU A 11 -4.704 9.988 -5.807 1.00 73.11 H new ATOM 0 HB3 LEU A 11 -3.752 8.868 -6.761 1.00 73.11 H new ATOM 0 HG LEU A 11 -2.068 11.026 -6.658 1.00 24.02 H new ATOM 0 HD11 LEU A 11 -2.034 11.791 -4.316 1.00 11.31 H new ATOM 0 HD12 LEU A 11 -3.544 12.250 -5.139 1.00 11.31 H new ATOM 0 HD13 LEU A 11 -3.531 10.881 -4.002 1.00 11.31 H new ATOM 0 HD21 LEU A 11 -0.837 9.731 -4.961 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -2.287 8.740 -4.672 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -1.474 8.688 -6.255 1.00 62.13 H new ATOM 178 N MET A 12 -4.245 12.911 -7.021 1.00 51.31 N ATOM 179 CA MET A 12 -4.768 14.223 -6.660 1.00 35.35 C ATOM 180 C MET A 12 -5.311 14.949 -7.887 1.00 14.33 C ATOM 181 O MET A 12 -6.339 15.622 -7.817 1.00 15.55 O ATOM 182 CB MET A 12 -3.677 15.065 -5.995 1.00 43.44 C ATOM 183 CG MET A 12 -2.330 14.976 -6.694 1.00 42.04 C ATOM 184 SD MET A 12 -1.236 16.345 -6.271 1.00 23.34 S ATOM 185 CE MET A 12 -1.029 17.121 -7.872 1.00 1.34 C ATOM 0 H MET A 12 -3.238 12.808 -6.893 1.00 51.31 H new ATOM 0 HA MET A 12 -5.586 14.079 -5.954 1.00 35.35 H new ATOM 0 HB2 MET A 12 -3.997 16.107 -5.972 1.00 43.44 H new ATOM 0 HB3 MET A 12 -3.562 14.744 -4.960 1.00 43.44 H new ATOM 0 HG2 MET A 12 -1.848 14.035 -6.427 1.00 42.04 H new ATOM 0 HG3 MET A 12 -2.485 14.960 -7.773 1.00 42.04 H new ATOM 0 HE1 MET A 12 -0.042 17.579 -7.929 1.00 1.34 H new ATOM 0 HE2 MET A 12 -1.127 16.370 -8.656 1.00 1.34 H new ATOM 0 HE3 MET A 12 -1.793 17.887 -8.007 1.00 1.34 H new ATOM 195 N ARG A 13 -4.613 14.808 -9.009 1.00 72.22 N ATOM 196 CA ARG A 13 -5.025 15.452 -10.251 1.00 43.34 C ATOM 197 C ARG A 13 -6.441 15.034 -10.636 1.00 25.20 C ATOM 198 O ARG A 13 -7.255 15.863 -11.043 1.00 32.00 O ATOM 199 CB ARG A 13 -4.053 15.100 -11.379 1.00 43.40 C ATOM 200 CG ARG A 13 -4.540 15.521 -12.755 1.00 23.54 C ATOM 201 CD ARG A 13 -3.472 15.303 -13.815 1.00 1.24 C ATOM 202 NE ARG A 13 -4.049 14.950 -15.110 1.00 13.15 N ATOM 203 CZ ARG A 13 -4.627 13.781 -15.363 1.00 62.43 C ATOM 204 NH1 ARG A 13 -4.704 12.857 -14.415 1.00 34.04 N ATOM 205 NH2 ARG A 13 -5.129 13.535 -16.566 1.00 3.12 N ATOM 0 H ARG A 13 -3.760 14.254 -9.084 1.00 72.22 H new ATOM 0 HA ARG A 13 -5.013 16.531 -10.094 1.00 43.34 H new ATOM 0 HB2 ARG A 13 -3.093 15.576 -11.181 1.00 43.40 H new ATOM 0 HB3 ARG A 13 -3.882 14.024 -11.377 1.00 43.40 H new ATOM 0 HG2 ARG A 13 -5.434 14.954 -13.015 1.00 23.54 H new ATOM 0 HG3 ARG A 13 -4.825 16.573 -12.735 1.00 23.54 H new ATOM 0 HD2 ARG A 13 -2.875 16.209 -13.919 1.00 1.24 H new ATOM 0 HD3 ARG A 13 -2.796 14.511 -13.491 1.00 1.24 H new ATOM 0 HE ARG A 13 -4.006 15.639 -15.861 1.00 13.15 H new ATOM 0 HH11 ARG A 13 -4.319 13.043 -13.489 1.00 34.04 H new ATOM 0 HH12 ARG A 13 -5.148 11.960 -14.612 1.00 34.04 H new ATOM 0 HH21 ARG A 13 -5.071 14.244 -17.297 1.00 3.12 H new ATOM 0 HH22 ARG A 13 -5.573 12.637 -16.760 1.00 3.12 H new ATOM 219 N LYS A 14 -6.728 13.743 -10.505 1.00 43.14 N ATOM 220 CA LYS A 14 -8.045 13.214 -10.838 1.00 24.33 C ATOM 221 C LYS A 14 -9.078 13.631 -9.796 1.00 14.43 C ATOM 222 O LYS A 14 -10.278 13.650 -10.071 1.00 20.12 O ATOM 223 CB LYS A 14 -7.993 11.688 -10.940 1.00 73.54 C ATOM 224 CG LYS A 14 -7.770 11.180 -12.353 1.00 21.53 C ATOM 225 CD LYS A 14 -6.340 10.707 -12.557 1.00 2.42 C ATOM 226 CE LYS A 14 -6.039 9.470 -11.724 1.00 1.21 C ATOM 227 NZ LYS A 14 -5.628 8.317 -12.573 1.00 3.32 N ATOM 0 H LYS A 14 -6.065 13.044 -10.170 1.00 43.14 H new ATOM 0 HA LYS A 14 -8.342 13.626 -11.802 1.00 24.33 H new ATOM 0 HB2 LYS A 14 -7.193 11.317 -10.299 1.00 73.54 H new ATOM 0 HB3 LYS A 14 -8.926 11.275 -10.557 1.00 73.54 H new ATOM 0 HG2 LYS A 14 -8.458 10.360 -12.559 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -7.997 11.973 -13.066 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -6.176 10.486 -13.612 1.00 2.42 H new ATOM 0 HD3 LYS A 14 -5.649 11.506 -12.287 1.00 2.42 H new ATOM 0 HE2 LYS A 14 -5.247 9.696 -11.010 1.00 1.21 H new ATOM 0 HE3 LYS A 14 -6.922 9.198 -11.145 1.00 1.21 H new ATOM 0 HZ1 LYS A 14 -5.103 7.630 -11.995 1.00 3.32 H new ATOM 0 HZ2 LYS A 14 -6.473 7.860 -12.971 1.00 3.32 H new ATOM 0 HZ3 LYS A 14 -5.021 8.655 -13.347 1.00 3.32 H new ATOM 241 N SER A 15 -8.604 13.964 -8.600 1.00 0.52 N ATOM 242 CA SER A 15 -9.488 14.378 -7.516 1.00 34.52 C ATOM 243 C SER A 15 -10.121 15.733 -7.819 1.00 4.13 C ATOM 244 O SER A 15 -11.214 16.038 -7.344 1.00 42.32 O ATOM 245 CB SER A 15 -8.714 14.447 -6.198 1.00 23.33 C ATOM 246 OG SER A 15 -8.256 15.764 -5.944 1.00 1.04 O ATOM 0 H SER A 15 -7.613 13.955 -8.357 1.00 0.52 H new ATOM 0 HA SER A 15 -10.283 13.638 -7.425 1.00 34.52 H new ATOM 0 HB2 SER A 15 -9.353 14.117 -5.379 1.00 23.33 H new ATOM 0 HB3 SER A 15 -7.865 13.764 -6.235 1.00 23.33 H new ATOM 0 HG SER A 15 -7.505 15.970 -6.540 1.00 1.04 H new ATOM 252 N GLU A 16 -9.425 16.540 -8.613 1.00 24.43 N ATOM 253 CA GLU A 16 -9.919 17.863 -8.979 1.00 22.34 C ATOM 254 C GLU A 16 -10.834 17.784 -10.197 1.00 32.11 C ATOM 255 O GLU A 16 -11.453 18.774 -10.587 1.00 43.32 O ATOM 256 CB GLU A 16 -8.749 18.806 -9.266 1.00 13.35 C ATOM 257 CG GLU A 16 -9.135 20.276 -9.252 1.00 62.31 C ATOM 258 CD GLU A 16 -8.949 20.915 -7.890 1.00 2.34 C ATOM 259 OE1 GLU A 16 -7.854 20.761 -7.308 1.00 72.53 O ATOM 260 OE2 GLU A 16 -9.896 21.568 -7.406 1.00 14.23 O ATOM 0 H GLU A 16 -8.518 16.302 -9.015 1.00 24.43 H new ATOM 0 HA GLU A 16 -10.494 18.254 -8.140 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -7.967 18.637 -8.526 1.00 13.35 H new ATOM 0 HB3 GLU A 16 -8.325 18.560 -10.239 1.00 13.35 H new ATOM 0 HG2 GLU A 16 -8.534 20.813 -9.986 1.00 62.31 H new ATOM 0 HG3 GLU A 16 -10.176 20.377 -9.557 1.00 62.31 H new ATOM 267 N TYR A 17 -10.915 16.600 -10.793 1.00 34.24 N ATOM 268 CA TYR A 17 -11.752 16.391 -11.969 1.00 3.21 C ATOM 269 C TYR A 17 -11.278 17.253 -13.135 1.00 63.52 C ATOM 270 O TYR A 17 -12.086 17.794 -13.892 1.00 30.34 O ATOM 271 CB TYR A 17 -13.212 16.711 -11.644 1.00 21.42 C ATOM 272 CG TYR A 17 -13.724 16.014 -10.404 1.00 23.24 C ATOM 273 CD1 TYR A 17 -13.960 14.644 -10.401 1.00 54.02 C ATOM 274 CD2 TYR A 17 -13.970 16.724 -9.235 1.00 22.22 C ATOM 275 CE1 TYR A 17 -14.428 14.003 -9.270 1.00 50.43 C ATOM 276 CE2 TYR A 17 -14.437 16.090 -8.100 1.00 21.13 C ATOM 277 CZ TYR A 17 -14.664 14.730 -8.122 1.00 22.22 C ATOM 278 OH TYR A 17 -15.130 14.096 -6.993 1.00 41.24 O ATOM 0 H TYR A 17 -10.411 15.770 -10.481 1.00 34.24 H new ATOM 0 HA TYR A 17 -11.672 15.343 -12.260 1.00 3.21 H new ATOM 0 HB2 TYR A 17 -13.319 17.788 -11.515 1.00 21.42 H new ATOM 0 HB3 TYR A 17 -13.835 16.428 -12.493 1.00 21.42 H new ATOM 0 HD1 TYR A 17 -13.774 14.071 -11.298 1.00 54.02 H new ATOM 0 HD2 TYR A 17 -13.793 17.789 -9.213 1.00 22.22 H new ATOM 0 HE1 TYR A 17 -14.608 12.938 -9.285 1.00 50.43 H new ATOM 0 HE2 TYR A 17 -14.623 16.657 -7.200 1.00 21.13 H new ATOM 0 HH TYR A 17 -15.242 14.751 -6.273 1.00 41.24 H new ATOM 288 N LEU A 18 -9.963 17.377 -13.274 1.00 50.01 N ATOM 289 CA LEU A 18 -9.379 18.173 -14.348 1.00 55.21 C ATOM 290 C LEU A 18 -8.520 17.306 -15.263 1.00 11.42 C ATOM 291 O LEU A 18 -8.282 16.132 -14.978 1.00 23.51 O ATOM 292 CB LEU A 18 -8.537 19.310 -13.767 1.00 71.45 C ATOM 293 CG LEU A 18 -7.292 18.892 -12.984 1.00 20.12 C ATOM 294 CD1 LEU A 18 -6.121 18.662 -13.927 1.00 2.31 C ATOM 295 CD2 LEU A 18 -6.940 19.941 -11.940 1.00 52.43 C ATOM 0 H LEU A 18 -9.281 16.937 -12.657 1.00 50.01 H new ATOM 0 HA LEU A 18 -10.193 18.596 -14.937 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -8.226 19.959 -14.585 1.00 71.45 H new ATOM 0 HB3 LEU A 18 -9.171 19.906 -13.111 1.00 71.45 H new ATOM 0 HG LEU A 18 -7.508 17.956 -12.470 1.00 20.12 H new ATOM 0 HD11 LEU A 18 -5.244 18.365 -13.352 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -6.374 17.874 -14.636 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -5.905 19.582 -14.470 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -6.051 19.626 -11.393 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -6.744 20.893 -12.433 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -7.772 20.056 -11.245 1.00 52.43 H new ATOM 307 N SER A 19 -8.056 17.892 -16.362 1.00 75.14 N ATOM 308 CA SER A 19 -7.225 17.173 -17.320 1.00 42.32 C ATOM 309 C SER A 19 -5.819 17.764 -17.371 1.00 72.22 C ATOM 310 O SER A 19 -5.572 18.851 -16.849 1.00 2.13 O ATOM 311 CB SER A 19 -7.859 17.215 -18.711 1.00 3.34 C ATOM 312 OG SER A 19 -9.139 16.606 -18.707 1.00 61.02 O ATOM 0 H SER A 19 -8.242 18.864 -16.611 1.00 75.14 H new ATOM 0 HA SER A 19 -7.153 16.136 -16.993 1.00 42.32 H new ATOM 0 HB2 SER A 19 -7.946 18.249 -19.043 1.00 3.34 H new ATOM 0 HB3 SER A 19 -7.212 16.704 -19.424 1.00 3.34 H new ATOM 0 HG SER A 19 -9.524 16.647 -19.607 1.00 61.02 H new ATOM 318 N ARG A 20 -4.902 17.040 -18.004 1.00 71.01 N ATOM 319 CA ARG A 20 -3.521 17.491 -18.123 1.00 24.20 C ATOM 320 C ARG A 20 -3.459 18.911 -18.677 1.00 73.30 C ATOM 321 O ARG A 20 -2.599 19.701 -18.288 1.00 23.14 O ATOM 322 CB ARG A 20 -2.729 16.544 -19.027 1.00 14.35 C ATOM 323 CG ARG A 20 -1.992 15.452 -18.269 1.00 64.12 C ATOM 324 CD ARG A 20 -1.137 14.608 -19.201 1.00 52.12 C ATOM 325 NE ARG A 20 -1.853 13.430 -19.684 1.00 31.03 N ATOM 326 CZ ARG A 20 -2.040 12.334 -18.957 1.00 33.21 C ATOM 327 NH1 ARG A 20 -1.567 12.267 -17.720 1.00 13.10 N ATOM 328 NH2 ARG A 20 -2.702 11.303 -19.466 1.00 51.12 N ATOM 0 H ARG A 20 -5.091 16.139 -18.442 1.00 71.01 H new ATOM 0 HA ARG A 20 -3.077 17.488 -17.128 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -3.411 16.082 -19.741 1.00 14.35 H new ATOM 0 HB3 ARG A 20 -2.008 17.124 -19.604 1.00 14.35 H new ATOM 0 HG2 ARG A 20 -1.361 15.902 -17.502 1.00 64.12 H new ATOM 0 HG3 ARG A 20 -2.712 14.814 -17.756 1.00 64.12 H new ATOM 0 HD2 ARG A 20 -0.821 15.213 -20.050 1.00 52.12 H new ATOM 0 HD3 ARG A 20 -0.233 14.294 -18.679 1.00 52.12 H new ATOM 0 HE ARG A 20 -2.230 13.450 -20.632 1.00 31.03 H new ATOM 0 HH11 ARG A 20 -1.058 13.058 -17.325 1.00 13.10 H new ATOM 0 HH12 ARG A 20 -1.712 11.424 -17.164 1.00 13.10 H new ATOM 0 HH21 ARG A 20 -3.068 11.351 -20.417 1.00 51.12 H new ATOM 0 HH22 ARG A 20 -2.845 10.462 -18.907 1.00 51.12 H new ATOM 342 N GLN A 21 -4.375 19.227 -19.586 1.00 33.24 N ATOM 343 CA GLN A 21 -4.423 20.552 -20.194 1.00 62.13 C ATOM 344 C GLN A 21 -4.858 21.602 -19.177 1.00 32.54 C ATOM 345 O GLN A 21 -4.290 22.692 -19.115 1.00 15.25 O ATOM 346 CB GLN A 21 -5.379 20.554 -21.388 1.00 31.45 C ATOM 347 CG GLN A 21 -6.786 20.095 -21.041 1.00 12.41 C ATOM 348 CD GLN A 21 -7.426 19.285 -22.152 1.00 73.14 C ATOM 349 OE1 GLN A 21 -7.322 18.059 -22.181 1.00 3.42 O ATOM 350 NE2 GLN A 21 -8.093 19.969 -23.074 1.00 2.12 N ATOM 0 H GLN A 21 -5.094 18.584 -19.918 1.00 33.24 H new ATOM 0 HA GLN A 21 -3.420 20.802 -20.540 1.00 62.13 H new ATOM 0 HB2 GLN A 21 -5.426 21.561 -21.803 1.00 31.45 H new ATOM 0 HB3 GLN A 21 -4.976 19.906 -22.167 1.00 31.45 H new ATOM 0 HG2 GLN A 21 -6.755 19.496 -20.131 1.00 12.41 H new ATOM 0 HG3 GLN A 21 -7.406 20.966 -20.828 1.00 12.41 H new ATOM 0 HE21 GLN A 21 -8.154 20.985 -23.011 1.00 2.12 H new ATOM 0 HE22 GLN A 21 -8.545 19.478 -23.846 1.00 2.12 H new ATOM 359 N GLN A 22 -5.869 21.266 -18.382 1.00 51.23 N ATOM 360 CA GLN A 22 -6.381 22.181 -17.369 1.00 0.45 C ATOM 361 C GLN A 22 -5.252 22.700 -16.484 1.00 51.31 C ATOM 362 O GLN A 22 -5.089 23.908 -16.312 1.00 43.21 O ATOM 363 CB GLN A 22 -7.439 21.485 -16.510 1.00 11.44 C ATOM 364 CG GLN A 22 -8.043 22.384 -15.443 1.00 2.14 C ATOM 365 CD GLN A 22 -9.558 22.397 -15.481 1.00 62.24 C ATOM 366 OE1 GLN A 22 -10.218 22.028 -14.509 1.00 71.22 O ATOM 367 NE2 GLN A 22 -10.119 22.822 -16.607 1.00 62.52 N ATOM 0 H GLN A 22 -6.349 20.367 -18.420 1.00 51.23 H new ATOM 0 HA GLN A 22 -6.838 23.029 -17.879 1.00 0.45 H new ATOM 0 HB2 GLN A 22 -8.235 21.117 -17.157 1.00 11.44 H new ATOM 0 HB3 GLN A 22 -6.991 20.615 -16.030 1.00 11.44 H new ATOM 0 HG2 GLN A 22 -7.711 22.049 -14.460 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -7.671 23.400 -15.576 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -9.534 23.119 -17.388 1.00 62.52 H new ATOM 0 HE22 GLN A 22 -11.135 22.852 -16.691 1.00 62.52 H new ATOM 376 N LEU A 23 -4.475 21.779 -15.924 1.00 1.25 N ATOM 377 CA LEU A 23 -3.360 22.143 -15.056 1.00 22.42 C ATOM 378 C LEU A 23 -2.208 22.728 -15.866 1.00 63.10 C ATOM 379 O LEU A 23 -1.556 23.680 -15.438 1.00 73.44 O ATOM 380 CB LEU A 23 -2.879 20.921 -14.273 1.00 64.12 C ATOM 381 CG LEU A 23 -1.588 21.102 -13.473 1.00 63.23 C ATOM 382 CD1 LEU A 23 -1.611 20.240 -12.220 1.00 72.12 C ATOM 383 CD2 LEU A 23 -0.377 20.767 -14.331 1.00 24.14 C ATOM 0 H LEU A 23 -4.596 20.775 -16.055 1.00 1.25 H new ATOM 0 HA LEU A 23 -3.709 22.902 -14.356 1.00 22.42 H new ATOM 0 HB2 LEU A 23 -3.670 20.621 -13.586 1.00 64.12 H new ATOM 0 HB3 LEU A 23 -2.736 20.098 -14.974 1.00 64.12 H new ATOM 0 HG LEU A 23 -1.515 22.146 -13.169 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -0.684 20.382 -11.664 1.00 72.12 H new ATOM 0 HD12 LEU A 23 -2.457 20.528 -11.596 1.00 72.12 H new ATOM 0 HD13 LEU A 23 -1.708 19.191 -12.501 1.00 72.12 H new ATOM 0 HD21 LEU A 23 0.532 20.902 -13.745 1.00 24.14 H new ATOM 0 HD22 LEU A 23 -0.443 19.732 -14.666 1.00 24.14 H new ATOM 0 HD23 LEU A 23 -0.351 21.427 -15.198 1.00 24.14 H new ATOM 395 N ALA A 24 -1.965 22.154 -17.040 1.00 40.14 N ATOM 396 CA ALA A 24 -0.894 22.622 -17.912 1.00 33.11 C ATOM 397 C ALA A 24 -1.007 24.122 -18.163 1.00 23.23 C ATOM 398 O ALA A 24 -0.005 24.799 -18.393 1.00 34.43 O ATOM 399 CB ALA A 24 -0.917 21.861 -19.229 1.00 43.12 C ATOM 0 H ALA A 24 -2.495 21.365 -17.409 1.00 40.14 H new ATOM 0 HA ALA A 24 0.057 22.435 -17.413 1.00 33.11 H new ATOM 0 HB1 ALA A 24 -0.112 22.220 -19.871 1.00 43.12 H new ATOM 0 HB2 ALA A 24 -0.780 20.797 -19.037 1.00 43.12 H new ATOM 0 HB3 ALA A 24 -1.875 22.020 -19.724 1.00 43.12 H new ATOM 405 N ASP A 25 -2.231 24.634 -18.117 1.00 0.02 N ATOM 406 CA ASP A 25 -2.474 26.055 -18.339 1.00 72.22 C ATOM 407 C ASP A 25 -2.420 26.828 -17.025 1.00 62.10 C ATOM 408 O ASP A 25 -2.137 28.026 -17.009 1.00 11.21 O ATOM 409 CB ASP A 25 -3.832 26.263 -19.011 1.00 75.11 C ATOM 410 CG ASP A 25 -3.706 26.858 -20.400 1.00 52.02 C ATOM 411 OD1 ASP A 25 -3.450 28.076 -20.503 1.00 32.35 O ATOM 412 OD2 ASP A 25 -3.863 26.106 -21.385 1.00 73.30 O ATOM 0 H ASP A 25 -3.071 24.087 -17.928 1.00 0.02 H new ATOM 0 HA ASP A 25 -1.690 26.434 -18.995 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -4.353 25.308 -19.074 1.00 75.11 H new ATOM 0 HB3 ASP A 25 -4.444 26.919 -18.392 1.00 75.11 H new ATOM 417 N LEU A 26 -2.693 26.134 -15.925 1.00 11.45 N ATOM 418 CA LEU A 26 -2.676 26.755 -14.605 1.00 42.33 C ATOM 419 C LEU A 26 -1.249 27.070 -14.170 1.00 31.40 C ATOM 420 O LEU A 26 -1.018 27.966 -13.357 1.00 63.25 O ATOM 421 CB LEU A 26 -3.344 25.838 -13.580 1.00 5.25 C ATOM 422 CG LEU A 26 -4.732 26.264 -13.102 1.00 72.31 C ATOM 423 CD1 LEU A 26 -5.784 25.264 -13.557 1.00 51.25 C ATOM 424 CD2 LEU A 26 -4.753 26.410 -11.587 1.00 64.15 C ATOM 0 H LEU A 26 -2.929 25.142 -15.921 1.00 11.45 H new ATOM 0 HA LEU A 26 -3.233 27.690 -14.663 1.00 42.33 H new ATOM 0 HB2 LEU A 26 -3.421 24.840 -14.011 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -2.690 25.761 -12.711 1.00 5.25 H new ATOM 0 HG LEU A 26 -4.966 27.233 -13.544 1.00 72.31 H new ATOM 0 HD11 LEU A 26 -6.766 25.584 -13.207 1.00 51.25 H new ATOM 0 HD12 LEU A 26 -5.787 25.209 -14.646 1.00 51.25 H new ATOM 0 HD13 LEU A 26 -5.555 24.281 -13.145 1.00 51.25 H new ATOM 0 HD21 LEU A 26 -5.749 26.714 -11.265 1.00 64.15 H new ATOM 0 HD22 LEU A 26 -4.498 25.456 -11.126 1.00 64.15 H new ATOM 0 HD23 LEU A 26 -4.028 27.165 -11.284 1.00 64.15 H new ATOM 436 N THR A 27 -0.291 26.328 -14.718 1.00 4.14 N ATOM 437 CA THR A 27 1.114 26.528 -14.387 1.00 54.35 C ATOM 438 C THR A 27 1.899 27.023 -15.597 1.00 0.33 C ATOM 439 O THR A 27 2.927 27.684 -15.454 1.00 41.53 O ATOM 440 CB THR A 27 1.759 25.229 -13.868 1.00 71.31 C ATOM 441 OG1 THR A 27 1.974 24.320 -14.953 1.00 70.12 O ATOM 442 CG2 THR A 27 0.880 24.572 -12.815 1.00 31.12 C ATOM 0 H THR A 27 -0.463 25.583 -15.393 1.00 4.14 H new ATOM 0 HA THR A 27 1.149 27.282 -13.601 1.00 54.35 H new ATOM 0 HB THR A 27 2.717 25.482 -13.413 1.00 71.31 H new ATOM 0 HG1 THR A 27 2.386 23.498 -14.614 1.00 70.12 H new ATOM 0 HG21 THR A 27 1.356 23.657 -12.463 1.00 31.12 H new ATOM 0 HG22 THR A 27 0.744 25.255 -11.977 1.00 31.12 H new ATOM 0 HG23 THR A 27 -0.091 24.333 -13.249 1.00 31.12 H new ATOM 450 N GLY A 28 1.406 26.699 -16.789 1.00 71.14 N ATOM 451 CA GLY A 28 2.074 27.120 -18.006 1.00 55.42 C ATOM 452 C GLY A 28 3.036 26.073 -18.532 1.00 63.01 C ATOM 453 O GLY A 28 3.829 26.345 -19.434 1.00 24.43 O ATOM 0 H GLY A 28 0.557 26.153 -16.933 1.00 71.14 H new ATOM 0 HA2 GLY A 28 1.327 27.339 -18.769 1.00 55.42 H new ATOM 0 HA3 GLY A 28 2.617 28.046 -17.817 1.00 55.42 H new ATOM 457 N VAL A 29 2.969 24.873 -17.965 1.00 50.12 N ATOM 458 CA VAL A 29 3.841 23.781 -18.381 1.00 54.03 C ATOM 459 C VAL A 29 3.406 23.213 -19.727 1.00 24.12 C ATOM 460 O VAL A 29 2.226 23.216 -20.078 1.00 11.23 O ATOM 461 CB VAL A 29 3.858 22.648 -17.339 1.00 3.24 C ATOM 462 CG1 VAL A 29 3.448 21.329 -17.977 1.00 14.34 C ATOM 463 CG2 VAL A 29 5.233 22.534 -16.698 1.00 50.23 C ATOM 0 H VAL A 29 2.320 24.632 -17.216 1.00 50.12 H new ATOM 0 HA VAL A 29 4.845 24.195 -18.472 1.00 54.03 H new ATOM 0 HB VAL A 29 3.136 22.886 -16.558 1.00 3.24 H new ATOM 0 HG11 VAL A 29 3.466 20.540 -17.225 1.00 14.34 H new ATOM 0 HG12 VAL A 29 2.441 21.419 -18.384 1.00 14.34 H new ATOM 0 HG13 VAL A 29 4.143 21.081 -18.779 1.00 14.34 H new ATOM 0 HG21 VAL A 29 5.227 21.728 -15.964 1.00 50.23 H new ATOM 0 HG22 VAL A 29 5.976 22.319 -17.466 1.00 50.23 H new ATOM 0 HG23 VAL A 29 5.483 23.473 -16.204 1.00 50.23 H new ATOM 473 N PRO A 30 4.381 22.711 -20.501 1.00 5.34 N ATOM 474 CA PRO A 30 4.123 22.128 -21.821 1.00 54.13 C ATOM 475 C PRO A 30 3.377 20.802 -21.733 1.00 3.43 C ATOM 476 O PRO A 30 3.865 19.842 -21.136 1.00 5.21 O ATOM 477 CB PRO A 30 5.526 21.915 -22.394 1.00 44.23 C ATOM 478 CG PRO A 30 6.408 21.786 -21.201 1.00 71.13 C ATOM 479 CD PRO A 30 5.810 22.675 -20.146 1.00 14.15 C ATOM 0 HA PRO A 30 3.490 22.770 -22.434 1.00 54.13 H new ATOM 0 HB2 PRO A 30 5.568 21.021 -23.016 1.00 44.23 H new ATOM 0 HB3 PRO A 30 5.829 22.754 -23.021 1.00 44.23 H new ATOM 0 HG2 PRO A 30 6.454 20.752 -20.860 1.00 71.13 H new ATOM 0 HG3 PRO A 30 7.428 22.090 -21.435 1.00 71.13 H new ATOM 0 HD2 PRO A 30 5.966 22.272 -19.145 1.00 14.15 H new ATOM 0 HD3 PRO A 30 6.253 23.671 -20.161 1.00 14.15 H new ATOM 487 N TYR A 31 2.191 20.755 -22.330 1.00 25.44 N ATOM 488 CA TYR A 31 1.376 19.546 -22.317 1.00 32.30 C ATOM 489 C TYR A 31 2.104 18.391 -22.999 1.00 14.22 C ATOM 490 O TYR A 31 1.994 17.240 -22.580 1.00 34.33 O ATOM 491 CB TYR A 31 0.037 19.801 -23.012 1.00 63.02 C ATOM 492 CG TYR A 31 -0.841 18.573 -23.104 1.00 1.51 C ATOM 493 CD1 TYR A 31 -0.684 17.659 -24.138 1.00 12.33 C ATOM 494 CD2 TYR A 31 -1.828 18.329 -22.157 1.00 32.10 C ATOM 495 CE1 TYR A 31 -1.484 16.536 -24.226 1.00 62.12 C ATOM 496 CE2 TYR A 31 -2.632 17.208 -22.237 1.00 35.12 C ATOM 497 CZ TYR A 31 -2.456 16.315 -23.273 1.00 32.41 C ATOM 498 OH TYR A 31 -3.256 15.198 -23.357 1.00 11.03 O ATOM 0 H TYR A 31 1.773 21.540 -22.829 1.00 25.44 H new ATOM 0 HA TYR A 31 1.192 19.273 -21.278 1.00 32.30 H new ATOM 0 HB2 TYR A 31 -0.500 20.582 -22.473 1.00 63.02 H new ATOM 0 HB3 TYR A 31 0.225 20.179 -24.017 1.00 63.02 H new ATOM 0 HD1 TYR A 31 0.076 17.829 -24.886 1.00 12.33 H new ATOM 0 HD2 TYR A 31 -1.969 19.027 -21.345 1.00 32.10 H new ATOM 0 HE1 TYR A 31 -1.349 15.835 -25.037 1.00 62.12 H new ATOM 0 HE2 TYR A 31 -3.394 17.032 -21.492 1.00 35.12 H new ATOM 0 HH TYR A 31 -3.888 15.191 -22.608 1.00 11.03 H new ATOM 508 N GLY A 32 2.848 18.709 -24.054 1.00 2.44 N ATOM 509 CA GLY A 32 3.584 17.689 -24.777 1.00 73.33 C ATOM 510 C GLY A 32 4.496 16.882 -23.875 1.00 15.40 C ATOM 511 O GLY A 32 4.650 15.674 -24.054 1.00 5.33 O ATOM 0 H GLY A 32 2.954 19.655 -24.421 1.00 2.44 H new ATOM 0 HA2 GLY A 32 2.880 17.019 -25.270 1.00 73.33 H new ATOM 0 HA3 GLY A 32 4.178 18.160 -25.560 1.00 73.33 H new ATOM 515 N THR A 33 5.106 17.552 -22.901 1.00 2.10 N ATOM 516 CA THR A 33 6.010 16.890 -21.969 1.00 33.22 C ATOM 517 C THR A 33 5.284 16.488 -20.690 1.00 41.20 C ATOM 518 O THR A 33 5.653 15.513 -20.034 1.00 25.30 O ATOM 519 CB THR A 33 7.203 17.794 -21.606 1.00 51.23 C ATOM 520 OG1 THR A 33 7.609 18.552 -22.751 1.00 63.51 O ATOM 521 CG2 THR A 33 8.374 16.967 -21.097 1.00 43.02 C ATOM 0 H THR A 33 4.990 18.552 -22.738 1.00 2.10 H new ATOM 0 HA THR A 33 6.380 15.995 -22.470 1.00 33.22 H new ATOM 0 HB THR A 33 6.888 18.473 -20.814 1.00 51.23 H new ATOM 0 HG1 THR A 33 8.367 19.126 -22.512 1.00 63.51 H new ATOM 0 HG21 THR A 33 9.204 17.627 -20.847 1.00 43.02 H new ATOM 0 HG22 THR A 33 8.070 16.414 -20.208 1.00 43.02 H new ATOM 0 HG23 THR A 33 8.688 16.266 -21.871 1.00 43.02 H new ATOM 529 N LEU A 34 4.249 17.245 -20.340 1.00 24.43 N ATOM 530 CA LEU A 34 3.469 16.967 -19.139 1.00 43.23 C ATOM 531 C LEU A 34 2.989 15.519 -19.125 1.00 50.10 C ATOM 532 O LEU A 34 2.972 14.871 -18.078 1.00 64.13 O ATOM 533 CB LEU A 34 2.272 17.914 -19.054 1.00 34.41 C ATOM 534 CG LEU A 34 1.273 17.634 -17.931 1.00 14.43 C ATOM 535 CD1 LEU A 34 1.828 18.099 -16.594 1.00 3.32 C ATOM 536 CD2 LEU A 34 -0.060 18.309 -18.221 1.00 12.32 C ATOM 0 H LEU A 34 3.931 18.056 -20.871 1.00 24.43 H new ATOM 0 HA LEU A 34 4.112 17.126 -18.273 1.00 43.23 H new ATOM 0 HB2 LEU A 34 2.646 18.931 -18.935 1.00 34.41 H new ATOM 0 HB3 LEU A 34 1.739 17.880 -20.004 1.00 34.41 H new ATOM 0 HG LEU A 34 1.108 16.558 -17.878 1.00 14.43 H new ATOM 0 HD11 LEU A 34 1.103 17.891 -15.807 1.00 3.32 H new ATOM 0 HD12 LEU A 34 2.756 17.569 -16.381 1.00 3.32 H new ATOM 0 HD13 LEU A 34 2.023 19.171 -16.634 1.00 3.32 H new ATOM 0 HD21 LEU A 34 -0.758 18.099 -17.411 1.00 12.32 H new ATOM 0 HD22 LEU A 34 0.088 19.386 -18.302 1.00 12.32 H new ATOM 0 HD23 LEU A 34 -0.465 17.927 -19.158 1.00 12.32 H new ATOM 548 N SER A 35 2.601 15.018 -20.293 1.00 63.13 N ATOM 549 CA SER A 35 2.119 13.647 -20.415 1.00 73.31 C ATOM 550 C SER A 35 3.106 12.666 -19.788 1.00 51.22 C ATOM 551 O SER A 35 2.709 11.666 -19.190 1.00 50.40 O ATOM 552 CB SER A 35 1.894 13.292 -21.886 1.00 42.24 C ATOM 553 OG SER A 35 2.966 12.516 -22.393 1.00 24.01 O ATOM 0 H SER A 35 2.611 15.541 -21.169 1.00 63.13 H new ATOM 0 HA SER A 35 1.171 13.572 -19.882 1.00 73.31 H new ATOM 0 HB2 SER A 35 0.960 12.740 -21.991 1.00 42.24 H new ATOM 0 HB3 SER A 35 1.793 14.205 -22.472 1.00 42.24 H new ATOM 0 HG SER A 35 2.798 12.301 -23.334 1.00 24.01 H new ATOM 559 N TYR A 36 4.393 12.961 -19.930 1.00 24.31 N ATOM 560 CA TYR A 36 5.438 12.105 -19.380 1.00 24.32 C ATOM 561 C TYR A 36 5.738 12.474 -17.931 1.00 10.31 C ATOM 562 O TYR A 36 6.215 11.647 -17.154 1.00 72.52 O ATOM 563 CB TYR A 36 6.711 12.215 -20.221 1.00 60.32 C ATOM 564 CG TYR A 36 6.599 11.561 -21.579 1.00 21.33 C ATOM 565 CD1 TYR A 36 6.012 10.309 -21.722 1.00 33.34 C ATOM 566 CD2 TYR A 36 7.080 12.193 -22.719 1.00 21.51 C ATOM 567 CE1 TYR A 36 5.908 9.707 -22.961 1.00 14.13 C ATOM 568 CE2 TYR A 36 6.978 11.599 -23.962 1.00 11.33 C ATOM 569 CZ TYR A 36 6.392 10.356 -24.078 1.00 3.04 C ATOM 570 OH TYR A 36 6.290 9.760 -25.314 1.00 45.51 O ATOM 0 H TYR A 36 4.738 13.786 -20.421 1.00 24.31 H new ATOM 0 HA TYR A 36 5.081 11.075 -19.407 1.00 24.32 H new ATOM 0 HB2 TYR A 36 6.959 13.268 -20.354 1.00 60.32 H new ATOM 0 HB3 TYR A 36 7.537 11.760 -19.675 1.00 60.32 H new ATOM 0 HD1 TYR A 36 5.631 9.798 -20.850 1.00 33.34 H new ATOM 0 HD2 TYR A 36 7.542 13.165 -22.632 1.00 21.51 H new ATOM 0 HE1 TYR A 36 5.450 8.733 -23.055 1.00 14.13 H new ATOM 0 HE2 TYR A 36 7.355 12.105 -24.838 1.00 11.33 H new ATOM 0 HH TYR A 36 6.678 10.349 -25.994 1.00 45.51 H new ATOM 580 N TYR A 37 5.456 13.722 -17.575 1.00 54.21 N ATOM 581 CA TYR A 37 5.697 14.203 -16.219 1.00 5.01 C ATOM 582 C TYR A 37 4.869 13.417 -15.207 1.00 44.23 C ATOM 583 O TYR A 37 5.412 12.679 -14.386 1.00 51.30 O ATOM 584 CB TYR A 37 5.366 15.693 -16.118 1.00 11.33 C ATOM 585 CG TYR A 37 6.509 16.596 -16.524 1.00 63.44 C ATOM 586 CD1 TYR A 37 7.418 16.204 -17.499 1.00 74.01 C ATOM 587 CD2 TYR A 37 6.680 17.842 -15.933 1.00 44.14 C ATOM 588 CE1 TYR A 37 8.464 17.025 -17.872 1.00 44.51 C ATOM 589 CE2 TYR A 37 7.722 18.671 -16.301 1.00 1.34 C ATOM 590 CZ TYR A 37 8.612 18.258 -17.271 1.00 71.32 C ATOM 591 OH TYR A 37 9.652 19.079 -17.641 1.00 40.12 O ATOM 0 H TYR A 37 5.060 14.419 -18.206 1.00 54.21 H new ATOM 0 HA TYR A 37 6.753 14.056 -15.990 1.00 5.01 H new ATOM 0 HB2 TYR A 37 4.503 15.908 -16.748 1.00 11.33 H new ATOM 0 HB3 TYR A 37 5.078 15.924 -15.092 1.00 11.33 H new ATOM 0 HD1 TYR A 37 7.305 15.240 -17.973 1.00 74.01 H new ATOM 0 HD2 TYR A 37 5.986 18.168 -15.172 1.00 44.14 H new ATOM 0 HE1 TYR A 37 9.163 16.703 -18.630 1.00 44.51 H new ATOM 0 HE2 TYR A 37 7.839 19.637 -15.832 1.00 1.34 H new ATOM 0 HH TYR A 37 9.613 19.910 -17.123 1.00 40.12 H new ATOM 601 N GLU A 38 3.552 13.582 -15.274 1.00 3.11 N ATOM 602 CA GLU A 38 2.649 12.889 -14.364 1.00 5.14 C ATOM 603 C GLU A 38 2.729 11.378 -14.563 1.00 64.14 C ATOM 604 O GLU A 38 2.306 10.604 -13.704 1.00 41.42 O ATOM 605 CB GLU A 38 1.210 13.366 -14.575 1.00 45.31 C ATOM 606 CG GLU A 38 1.082 14.874 -14.708 1.00 24.31 C ATOM 607 CD GLU A 38 -0.290 15.381 -14.308 1.00 34.22 C ATOM 608 OE1 GLU A 38 -0.660 15.220 -13.126 1.00 33.41 O ATOM 609 OE2 GLU A 38 -0.993 15.937 -15.176 1.00 25.54 O ATOM 0 H GLU A 38 3.087 14.189 -15.949 1.00 3.11 H new ATOM 0 HA GLU A 38 2.955 13.121 -13.344 1.00 5.14 H new ATOM 0 HB2 GLU A 38 0.808 12.895 -15.472 1.00 45.31 H new ATOM 0 HB3 GLU A 38 0.598 13.030 -13.737 1.00 45.31 H new ATOM 0 HG2 GLU A 38 1.838 15.355 -14.087 1.00 24.31 H new ATOM 0 HG3 GLU A 38 1.285 15.163 -15.739 1.00 24.31 H new ATOM 616 N SER A 39 3.276 10.966 -15.702 1.00 60.13 N ATOM 617 CA SER A 39 3.409 9.548 -16.018 1.00 34.13 C ATOM 618 C SER A 39 4.618 8.945 -15.310 1.00 11.41 C ATOM 619 O SER A 39 4.709 7.731 -15.137 1.00 14.05 O ATOM 620 CB SER A 39 3.536 9.350 -17.529 1.00 51.23 C ATOM 621 OG SER A 39 2.264 9.192 -18.132 1.00 13.01 O ATOM 0 H SER A 39 3.634 11.594 -16.422 1.00 60.13 H new ATOM 0 HA SER A 39 2.513 9.037 -15.667 1.00 34.13 H new ATOM 0 HB2 SER A 39 4.047 10.206 -17.969 1.00 51.23 H new ATOM 0 HB3 SER A 39 4.150 8.473 -17.733 1.00 51.23 H new ATOM 0 HG SER A 39 2.073 9.967 -18.700 1.00 13.01 H new ATOM 627 N GLY A 40 5.547 9.805 -14.903 1.00 14.52 N ATOM 628 CA GLY A 40 6.740 9.340 -14.219 1.00 24.23 C ATOM 629 C GLY A 40 7.819 8.884 -15.181 1.00 45.11 C ATOM 630 O GLY A 40 8.771 8.213 -14.783 1.00 74.53 O ATOM 0 H GLY A 40 5.495 10.815 -15.035 1.00 14.52 H new ATOM 0 HA2 GLY A 40 7.131 10.141 -13.592 1.00 24.23 H new ATOM 0 HA3 GLY A 40 6.477 8.516 -13.556 1.00 24.23 H new ATOM 634 N ARG A 41 7.670 9.247 -16.451 1.00 4.24 N ATOM 635 CA ARG A 41 8.638 8.867 -17.473 1.00 13.35 C ATOM 636 C ARG A 41 10.023 9.415 -17.140 1.00 52.13 C ATOM 637 O ARG A 41 11.038 8.859 -17.558 1.00 61.34 O ATOM 638 CB ARG A 41 8.192 9.379 -18.844 1.00 40.30 C ATOM 639 CG ARG A 41 8.451 8.397 -19.974 1.00 52.51 C ATOM 640 CD ARG A 41 7.491 7.219 -19.921 1.00 42.11 C ATOM 641 NE ARG A 41 7.818 6.201 -20.915 1.00 62.55 N ATOM 642 CZ ARG A 41 7.240 5.006 -20.961 1.00 34.51 C ATOM 643 NH1 ARG A 41 6.311 4.681 -20.073 1.00 62.54 N ATOM 644 NH2 ARG A 41 7.591 4.133 -21.896 1.00 43.33 N ATOM 0 H ARG A 41 6.888 9.804 -16.797 1.00 4.24 H new ATOM 0 HA ARG A 41 8.693 7.779 -17.499 1.00 13.35 H new ATOM 0 HB2 ARG A 41 7.127 9.606 -18.809 1.00 40.30 H new ATOM 0 HB3 ARG A 41 8.710 10.313 -19.060 1.00 40.30 H new ATOM 0 HG2 ARG A 41 8.349 8.908 -20.932 1.00 52.51 H new ATOM 0 HG3 ARG A 41 9.477 8.034 -19.914 1.00 52.51 H new ATOM 0 HD2 ARG A 41 7.517 6.775 -18.926 1.00 42.11 H new ATOM 0 HD3 ARG A 41 6.473 7.573 -20.086 1.00 42.11 H new ATOM 0 HE ARG A 41 8.529 6.419 -21.613 1.00 62.55 H new ATOM 0 HH11 ARG A 41 6.038 5.349 -19.352 1.00 62.54 H new ATOM 0 HH12 ARG A 41 5.869 3.763 -20.111 1.00 62.54 H new ATOM 0 HH21 ARG A 41 8.306 4.379 -22.581 1.00 43.33 H new ATOM 0 HH22 ARG A 41 7.146 3.216 -21.930 1.00 43.33 H new ATOM 658 N SER A 42 10.055 10.508 -16.384 1.00 70.41 N ATOM 659 CA SER A 42 11.315 11.133 -15.998 1.00 61.23 C ATOM 660 C SER A 42 11.099 12.139 -14.871 1.00 5.23 C ATOM 661 O SER A 42 10.246 13.023 -14.966 1.00 13.14 O ATOM 662 CB SER A 42 11.953 11.829 -17.202 1.00 24.10 C ATOM 663 OG SER A 42 13.338 11.542 -17.281 1.00 12.30 O ATOM 0 H SER A 42 9.224 10.979 -16.027 1.00 70.41 H new ATOM 0 HA SER A 42 11.986 10.351 -15.641 1.00 61.23 H new ATOM 0 HB2 SER A 42 11.458 11.505 -18.118 1.00 24.10 H new ATOM 0 HB3 SER A 42 11.805 12.906 -17.124 1.00 24.10 H new ATOM 0 HG SER A 42 13.722 11.997 -18.059 1.00 12.30 H new ATOM 669 N THR A 43 11.878 11.998 -13.804 1.00 12.02 N ATOM 670 CA THR A 43 11.773 12.891 -12.657 1.00 14.23 C ATOM 671 C THR A 43 11.937 14.347 -13.078 1.00 53.01 C ATOM 672 O THR A 43 13.013 14.784 -13.486 1.00 0.33 O ATOM 673 CB THR A 43 12.828 12.557 -11.586 1.00 21.52 C ATOM 674 OG1 THR A 43 13.489 11.330 -11.915 1.00 2.04 O ATOM 675 CG2 THR A 43 12.186 12.441 -10.212 1.00 51.25 C ATOM 0 H THR A 43 12.589 11.273 -13.710 1.00 12.02 H new ATOM 0 HA THR A 43 10.779 12.747 -12.234 1.00 14.23 H new ATOM 0 HB THR A 43 13.558 13.366 -11.561 1.00 21.52 H new ATOM 0 HG1 THR A 43 14.185 11.502 -12.583 1.00 2.04 H new ATOM 0 HG21 THR A 43 12.951 12.205 -9.472 1.00 51.25 H new ATOM 0 HG22 THR A 43 11.709 13.386 -9.952 1.00 51.25 H new ATOM 0 HG23 THR A 43 11.437 11.649 -10.226 1.00 51.25 H new ATOM 683 N PRO A 44 10.844 15.119 -12.978 1.00 21.02 N ATOM 684 CA PRO A 44 10.842 16.539 -13.343 1.00 52.42 C ATOM 685 C PRO A 44 11.652 17.389 -12.370 1.00 70.25 C ATOM 686 O PRO A 44 12.029 16.945 -11.285 1.00 3.54 O ATOM 687 CB PRO A 44 9.361 16.919 -13.280 1.00 71.00 C ATOM 688 CG PRO A 44 8.760 15.947 -12.324 1.00 72.24 C ATOM 689 CD PRO A 44 9.527 14.666 -12.500 1.00 61.30 C ATOM 0 HA PRO A 44 11.299 16.710 -14.318 1.00 52.42 H new ATOM 0 HB2 PRO A 44 9.230 17.945 -12.936 1.00 71.00 H new ATOM 0 HB3 PRO A 44 8.893 16.850 -14.262 1.00 71.00 H new ATOM 0 HG2 PRO A 44 8.836 16.310 -11.299 1.00 72.24 H new ATOM 0 HG3 PRO A 44 7.700 15.799 -12.532 1.00 72.24 H new ATOM 0 HD2 PRO A 44 9.608 14.114 -11.563 1.00 61.30 H new ATOM 0 HD3 PRO A 44 9.044 14.004 -13.219 1.00 61.30 H new ATOM 697 N PRO A 45 11.927 18.641 -12.764 1.00 71.15 N ATOM 698 CA PRO A 45 12.694 19.580 -11.939 1.00 45.31 C ATOM 699 C PRO A 45 11.922 20.033 -10.705 1.00 45.42 C ATOM 700 O PRO A 45 10.762 19.665 -10.515 1.00 14.40 O ATOM 701 CB PRO A 45 12.938 20.762 -12.881 1.00 13.01 C ATOM 702 CG PRO A 45 11.822 20.698 -13.866 1.00 51.14 C ATOM 703 CD PRO A 45 11.509 19.238 -14.044 1.00 25.43 C ATOM 0 HA PRO A 45 13.608 19.129 -11.552 1.00 45.31 H new ATOM 0 HB2 PRO A 45 12.934 21.708 -12.339 1.00 13.01 H new ATOM 0 HB3 PRO A 45 13.907 20.682 -13.374 1.00 13.01 H new ATOM 0 HG2 PRO A 45 10.950 21.243 -13.504 1.00 51.14 H new ATOM 0 HG3 PRO A 45 12.111 21.153 -14.813 1.00 51.14 H new ATOM 0 HD2 PRO A 45 10.449 19.075 -14.236 1.00 25.43 H new ATOM 0 HD3 PRO A 45 12.055 18.810 -14.885 1.00 25.43 H new ATOM 711 N THR A 46 12.572 20.835 -9.868 1.00 13.11 N ATOM 712 CA THR A 46 11.946 21.338 -8.651 1.00 31.11 C ATOM 713 C THR A 46 11.186 22.632 -8.918 1.00 24.32 C ATOM 714 O THR A 46 10.161 22.902 -8.292 1.00 10.01 O ATOM 715 CB THR A 46 12.989 21.588 -7.545 1.00 23.32 C ATOM 716 OG1 THR A 46 13.849 20.451 -7.417 1.00 51.14 O ATOM 717 CG2 THR A 46 12.308 21.868 -6.214 1.00 20.13 C ATOM 0 H THR A 46 13.532 21.150 -10.010 1.00 13.11 H new ATOM 0 HA THR A 46 11.247 20.572 -8.315 1.00 31.11 H new ATOM 0 HB THR A 46 13.580 22.460 -7.823 1.00 23.32 H new ATOM 0 HG1 THR A 46 13.904 20.187 -6.475 1.00 51.14 H new ATOM 0 HG21 THR A 46 13.064 22.041 -5.448 1.00 20.13 H new ATOM 0 HG22 THR A 46 11.676 22.751 -6.307 1.00 20.13 H new ATOM 0 HG23 THR A 46 11.695 21.012 -5.932 1.00 20.13 H new ATOM 725 N ASP A 47 11.693 23.429 -9.852 1.00 42.22 N ATOM 726 CA ASP A 47 11.060 24.695 -10.204 1.00 11.00 C ATOM 727 C ASP A 47 9.662 24.465 -10.769 1.00 64.31 C ATOM 728 O ASP A 47 8.746 25.251 -10.528 1.00 65.11 O ATOM 729 CB ASP A 47 11.917 25.453 -11.220 1.00 53.22 C ATOM 730 CG ASP A 47 11.639 26.943 -11.213 1.00 65.03 C ATOM 731 OD1 ASP A 47 10.748 27.377 -10.454 1.00 61.13 O ATOM 732 OD2 ASP A 47 12.313 27.676 -11.968 1.00 21.44 O ATOM 0 H ASP A 47 12.541 23.221 -10.379 1.00 42.22 H new ATOM 0 HA ASP A 47 10.971 25.293 -9.297 1.00 11.00 H new ATOM 0 HB2 ASP A 47 12.971 25.282 -11.002 1.00 53.22 H new ATOM 0 HB3 ASP A 47 11.729 25.056 -12.218 1.00 53.22 H new ATOM 737 N VAL A 48 9.506 23.382 -11.524 1.00 60.11 N ATOM 738 CA VAL A 48 8.220 23.048 -12.124 1.00 45.24 C ATOM 739 C VAL A 48 7.354 22.246 -11.159 1.00 11.34 C ATOM 740 O VAL A 48 6.171 22.535 -10.983 1.00 1.53 O ATOM 741 CB VAL A 48 8.399 22.244 -13.426 1.00 14.52 C ATOM 742 CG1 VAL A 48 7.048 21.830 -13.989 1.00 74.34 C ATOM 743 CG2 VAL A 48 9.187 23.051 -14.446 1.00 62.30 C ATOM 0 H VAL A 48 10.254 22.721 -11.734 1.00 60.11 H new ATOM 0 HA VAL A 48 7.724 23.991 -12.354 1.00 45.24 H new ATOM 0 HB VAL A 48 8.963 21.339 -13.199 1.00 14.52 H new ATOM 0 HG11 VAL A 48 7.195 21.263 -14.908 1.00 74.34 H new ATOM 0 HG12 VAL A 48 6.525 21.211 -13.261 1.00 74.34 H new ATOM 0 HG13 VAL A 48 6.455 22.719 -14.202 1.00 74.34 H new ATOM 0 HG21 VAL A 48 9.304 22.468 -15.359 1.00 62.30 H new ATOM 0 HG22 VAL A 48 8.653 23.974 -14.671 1.00 62.30 H new ATOM 0 HG23 VAL A 48 10.170 23.290 -14.040 1.00 62.30 H new ATOM 753 N MET A 49 7.953 21.236 -10.536 1.00 23.51 N ATOM 754 CA MET A 49 7.237 20.392 -9.586 1.00 32.02 C ATOM 755 C MET A 49 6.462 21.240 -8.583 1.00 43.12 C ATOM 756 O MET A 49 5.268 21.029 -8.371 1.00 54.11 O ATOM 757 CB MET A 49 8.215 19.475 -8.849 1.00 51.33 C ATOM 758 CG MET A 49 7.566 18.659 -7.742 1.00 21.11 C ATOM 759 SD MET A 49 8.357 18.908 -6.141 1.00 71.53 S ATOM 760 CE MET A 49 7.499 20.370 -5.563 1.00 52.32 C ATOM 0 H MET A 49 8.932 20.982 -10.672 1.00 23.51 H new ATOM 0 HA MET A 49 6.527 19.781 -10.143 1.00 32.02 H new ATOM 0 HB2 MET A 49 8.676 18.797 -9.567 1.00 51.33 H new ATOM 0 HB3 MET A 49 9.016 20.079 -8.422 1.00 51.33 H new ATOM 0 HG2 MET A 49 6.512 18.928 -7.668 1.00 21.11 H new ATOM 0 HG3 MET A 49 7.608 17.602 -8.003 1.00 21.11 H new ATOM 0 HE1 MET A 49 7.402 20.330 -4.478 1.00 52.32 H new ATOM 0 HE2 MET A 49 8.064 21.259 -5.844 1.00 52.32 H new ATOM 0 HE3 MET A 49 6.508 20.413 -6.015 1.00 52.32 H new ATOM 770 N MET A 50 7.148 22.198 -7.969 1.00 13.33 N ATOM 771 CA MET A 50 6.522 23.077 -6.988 1.00 63.34 C ATOM 772 C MET A 50 5.477 23.971 -7.649 1.00 13.15 C ATOM 773 O MET A 50 4.502 24.375 -7.016 1.00 31.51 O ATOM 774 CB MET A 50 7.579 23.937 -6.294 1.00 63.11 C ATOM 775 CG MET A 50 8.099 25.076 -7.156 1.00 51.43 C ATOM 776 SD MET A 50 9.638 25.775 -6.530 1.00 41.12 S ATOM 777 CE MET A 50 9.314 25.785 -4.768 1.00 52.14 C ATOM 0 H MET A 50 8.137 22.386 -8.133 1.00 13.33 H new ATOM 0 HA MET A 50 6.025 22.454 -6.244 1.00 63.34 H new ATOM 0 HB2 MET A 50 7.156 24.350 -5.378 1.00 63.11 H new ATOM 0 HB3 MET A 50 8.416 23.303 -6.001 1.00 63.11 H new ATOM 0 HG2 MET A 50 8.256 24.715 -8.172 1.00 51.43 H new ATOM 0 HG3 MET A 50 7.344 25.860 -7.209 1.00 51.43 H new ATOM 0 HE1 MET A 50 10.054 26.408 -4.266 1.00 52.14 H new ATOM 0 HE2 MET A 50 8.317 26.185 -4.584 1.00 52.14 H new ATOM 0 HE3 MET A 50 9.374 24.768 -4.381 1.00 52.14 H new ATOM 787 N ASN A 51 5.687 24.276 -8.925 1.00 65.21 N ATOM 788 CA ASN A 51 4.763 25.123 -9.671 1.00 34.45 C ATOM 789 C ASN A 51 3.429 24.415 -9.886 1.00 20.22 C ATOM 790 O ASN A 51 2.439 25.039 -10.270 1.00 30.14 O ATOM 791 CB ASN A 51 5.371 25.511 -11.021 1.00 31.11 C ATOM 792 CG ASN A 51 5.978 26.901 -11.003 1.00 2.32 C ATOM 793 OD1 ASN A 51 6.745 27.198 -9.961 1.00 22.00 O flip ATOM 794 ND2 ASN A 51 5.761 27.697 -11.917 1.00 22.11 N flip ATOM 0 H ASN A 51 6.489 23.949 -9.464 1.00 65.21 H new ATOM 0 HA ASN A 51 4.585 26.026 -9.087 1.00 34.45 H new ATOM 0 HB2 ASN A 51 6.138 24.786 -11.293 1.00 31.11 H new ATOM 0 HB3 ASN A 51 4.601 25.464 -11.791 1.00 31.11 H new ATOM 0 HD21 ASN A 51 5.165 27.426 -12.699 1.00 22.11 H new ATOM 0 HD22 ASN A 51 6.178 28.628 -11.892 1.00 22.11 H new ATOM 801 N ILE A 52 3.411 23.111 -9.634 1.00 3.55 N ATOM 802 CA ILE A 52 2.198 22.319 -9.798 1.00 73.42 C ATOM 803 C ILE A 52 1.414 22.237 -8.493 1.00 71.13 C ATOM 804 O ILE A 52 0.182 22.243 -8.494 1.00 32.44 O ATOM 805 CB ILE A 52 2.518 20.892 -10.282 1.00 62.11 C ATOM 806 CG1 ILE A 52 3.458 20.938 -11.488 1.00 74.14 C ATOM 807 CG2 ILE A 52 1.236 20.151 -10.630 1.00 33.12 C ATOM 808 CD1 ILE A 52 3.139 22.052 -12.461 1.00 62.23 C ATOM 0 H ILE A 52 4.222 22.580 -9.316 1.00 3.55 H new ATOM 0 HA ILE A 52 1.593 22.822 -10.552 1.00 73.42 H new ATOM 0 HB ILE A 52 3.018 20.354 -9.476 1.00 62.11 H new ATOM 0 HG12 ILE A 52 4.483 21.057 -11.135 1.00 74.14 H new ATOM 0 HG13 ILE A 52 3.410 19.984 -12.012 1.00 74.14 H new ATOM 0 HG21 ILE A 52 1.479 19.144 -10.970 1.00 33.12 H new ATOM 0 HG22 ILE A 52 0.599 20.092 -9.748 1.00 33.12 H new ATOM 0 HG23 ILE A 52 0.711 20.685 -11.422 1.00 33.12 H new ATOM 0 HD11 ILE A 52 3.845 22.024 -13.291 1.00 62.23 H new ATOM 0 HD12 ILE A 52 2.126 21.923 -12.842 1.00 62.23 H new ATOM 0 HD13 ILE A 52 3.215 23.013 -11.952 1.00 62.23 H new ATOM 820 N LEU A 53 2.135 22.163 -7.380 1.00 51.45 N ATOM 821 CA LEU A 53 1.507 22.082 -6.066 1.00 74.54 C ATOM 822 C LEU A 53 1.191 23.474 -5.527 1.00 34.01 C ATOM 823 O LEU A 53 0.228 23.657 -4.782 1.00 42.22 O ATOM 824 CB LEU A 53 2.419 21.340 -5.088 1.00 74.22 C ATOM 825 CG LEU A 53 1.960 19.942 -4.671 1.00 41.43 C ATOM 826 CD1 LEU A 53 1.560 19.126 -5.890 1.00 53.22 C ATOM 827 CD2 LEU A 53 3.054 19.233 -3.887 1.00 13.23 C ATOM 0 H LEU A 53 3.155 22.157 -7.361 1.00 51.45 H new ATOM 0 HA LEU A 53 0.572 21.532 -6.171 1.00 74.54 H new ATOM 0 HB2 LEU A 53 3.409 21.257 -5.537 1.00 74.22 H new ATOM 0 HB3 LEU A 53 2.527 21.948 -4.190 1.00 74.22 H new ATOM 0 HG LEU A 53 1.087 20.044 -4.026 1.00 41.43 H new ATOM 0 HD11 LEU A 53 1.236 18.134 -5.574 1.00 53.22 H new ATOM 0 HD12 LEU A 53 0.743 19.626 -6.410 1.00 53.22 H new ATOM 0 HD13 LEU A 53 2.414 19.032 -6.561 1.00 53.22 H new ATOM 0 HD21 LEU A 53 2.710 18.240 -3.599 1.00 13.23 H new ATOM 0 HD22 LEU A 53 3.946 19.142 -4.507 1.00 13.23 H new ATOM 0 HD23 LEU A 53 3.292 19.808 -2.992 1.00 13.23 H new ATOM 839 N GLN A 54 2.007 24.451 -5.910 1.00 35.22 N ATOM 840 CA GLN A 54 1.813 25.826 -5.466 1.00 5.24 C ATOM 841 C GLN A 54 0.408 26.314 -5.804 1.00 40.02 C ATOM 842 O GLN A 54 -0.128 27.205 -5.144 1.00 11.30 O ATOM 843 CB GLN A 54 2.853 26.744 -6.110 1.00 13.40 C ATOM 844 CG GLN A 54 2.629 26.968 -7.597 1.00 75.21 C ATOM 845 CD GLN A 54 3.507 28.067 -8.161 1.00 20.35 C ATOM 846 OE1 GLN A 54 4.779 28.064 -7.778 1.00 45.45 O flip ATOM 847 NE2 GLN A 54 3.048 28.910 -8.932 1.00 73.44 N flip ATOM 0 H GLN A 54 2.808 24.316 -6.526 1.00 35.22 H new ATOM 0 HA GLN A 54 1.937 25.852 -4.383 1.00 5.24 H new ATOM 0 HB2 GLN A 54 2.841 27.707 -5.600 1.00 13.40 H new ATOM 0 HB3 GLN A 54 3.845 26.317 -5.961 1.00 13.40 H new ATOM 0 HG2 GLN A 54 2.826 26.040 -8.134 1.00 75.21 H new ATOM 0 HG3 GLN A 54 1.583 27.220 -7.769 1.00 75.21 H new ATOM 0 HE21 GLN A 54 2.064 28.874 -9.200 1.00 73.44 H new ATOM 0 HE22 GLN A 54 3.651 29.644 -9.303 1.00 73.44 H new ATOM 856 N THR A 55 -0.185 25.724 -6.838 1.00 23.53 N ATOM 857 CA THR A 55 -1.527 26.100 -7.265 1.00 24.25 C ATOM 858 C THR A 55 -2.506 26.065 -6.096 1.00 71.25 C ATOM 859 O THR A 55 -2.368 25.275 -5.162 1.00 30.33 O ATOM 860 CB THR A 55 -2.043 25.169 -8.379 1.00 54.30 C ATOM 861 OG1 THR A 55 -1.872 23.801 -7.993 1.00 42.52 O ATOM 862 CG2 THR A 55 -1.307 25.429 -9.684 1.00 51.14 C ATOM 0 H THR A 55 0.243 24.984 -7.395 1.00 23.53 H new ATOM 0 HA THR A 55 -1.463 27.117 -7.652 1.00 24.25 H new ATOM 0 HB THR A 55 -3.103 25.373 -8.531 1.00 54.30 H new ATOM 0 HG1 THR A 55 -1.080 23.432 -8.437 1.00 42.52 H new ATOM 0 HG21 THR A 55 -1.688 24.760 -10.456 1.00 51.14 H new ATOM 0 HG22 THR A 55 -1.464 26.463 -9.990 1.00 51.14 H new ATOM 0 HG23 THR A 55 -0.241 25.250 -9.543 1.00 51.14 H new ATOM 870 N PRO A 56 -3.520 26.942 -6.147 1.00 53.52 N ATOM 871 CA PRO A 56 -4.543 27.030 -5.100 1.00 12.33 C ATOM 872 C PRO A 56 -5.464 25.816 -5.086 1.00 31.34 C ATOM 873 O PRO A 56 -6.083 25.507 -4.068 1.00 43.31 O ATOM 874 CB PRO A 56 -5.326 28.291 -5.475 1.00 41.51 C ATOM 875 CG PRO A 56 -5.127 28.437 -6.944 1.00 31.12 C ATOM 876 CD PRO A 56 -3.747 27.913 -7.230 1.00 2.04 C ATOM 0 HA PRO A 56 -4.104 27.065 -4.103 1.00 12.33 H new ATOM 0 HB2 PRO A 56 -6.382 28.190 -5.227 1.00 41.51 H new ATOM 0 HB3 PRO A 56 -4.954 29.163 -4.936 1.00 41.51 H new ATOM 0 HG2 PRO A 56 -5.880 27.876 -7.497 1.00 31.12 H new ATOM 0 HG3 PRO A 56 -5.219 29.480 -7.248 1.00 31.12 H new ATOM 0 HD2 PRO A 56 -3.692 27.441 -8.211 1.00 2.04 H new ATOM 0 HD3 PRO A 56 -3.004 28.710 -7.217 1.00 2.04 H new ATOM 884 N GLN A 57 -5.549 25.130 -6.221 1.00 54.13 N ATOM 885 CA GLN A 57 -6.396 23.948 -6.337 1.00 35.45 C ATOM 886 C GLN A 57 -5.711 22.726 -5.735 1.00 15.23 C ATOM 887 O GLN A 57 -6.365 21.854 -5.162 1.00 55.15 O ATOM 888 CB GLN A 57 -6.740 23.684 -7.804 1.00 31.22 C ATOM 889 CG GLN A 57 -5.593 23.081 -8.599 1.00 70.00 C ATOM 890 CD GLN A 57 -5.763 23.257 -10.095 1.00 22.24 C ATOM 891 OE1 GLN A 57 -4.821 23.622 -10.800 1.00 74.05 O ATOM 892 NE2 GLN A 57 -6.968 22.997 -10.589 1.00 50.03 N ATOM 0 H GLN A 57 -5.042 25.372 -7.073 1.00 54.13 H new ATOM 0 HA GLN A 57 -7.316 24.135 -5.783 1.00 35.45 H new ATOM 0 HB2 GLN A 57 -7.597 23.012 -7.852 1.00 31.22 H new ATOM 0 HB3 GLN A 57 -7.042 24.621 -8.272 1.00 31.22 H new ATOM 0 HG2 GLN A 57 -4.657 23.544 -8.287 1.00 70.00 H new ATOM 0 HG3 GLN A 57 -5.516 22.018 -8.369 1.00 70.00 H new ATOM 0 HE21 GLN A 57 -7.720 22.697 -9.968 1.00 50.03 H new ATOM 0 HE22 GLN A 57 -7.142 23.097 -11.589 1.00 50.03 H new ATOM 901 N PHE A 58 -4.390 22.668 -5.869 1.00 44.33 N ATOM 902 CA PHE A 58 -3.616 21.552 -5.339 1.00 12.11 C ATOM 903 C PHE A 58 -2.878 21.957 -4.066 1.00 32.20 C ATOM 904 O PHE A 58 -1.857 21.368 -3.712 1.00 14.11 O ATOM 905 CB PHE A 58 -2.617 21.054 -6.385 1.00 65.32 C ATOM 906 CG PHE A 58 -3.265 20.389 -7.565 1.00 64.12 C ATOM 907 CD1 PHE A 58 -3.932 19.183 -7.417 1.00 54.23 C ATOM 908 CD2 PHE A 58 -3.208 20.968 -8.822 1.00 14.53 C ATOM 909 CE1 PHE A 58 -4.531 18.568 -8.501 1.00 13.32 C ATOM 910 CE2 PHE A 58 -3.804 20.358 -9.909 1.00 51.05 C ATOM 911 CZ PHE A 58 -4.466 19.156 -9.749 1.00 14.14 C ATOM 0 H PHE A 58 -3.833 23.381 -6.340 1.00 44.33 H new ATOM 0 HA PHE A 58 -4.308 20.746 -5.095 1.00 12.11 H new ATOM 0 HB2 PHE A 58 -2.020 21.896 -6.735 1.00 65.32 H new ATOM 0 HB3 PHE A 58 -1.930 20.351 -5.914 1.00 65.32 H new ATOM 0 HD1 PHE A 58 -3.984 18.718 -6.444 1.00 54.23 H new ATOM 0 HD2 PHE A 58 -2.692 21.907 -8.954 1.00 14.53 H new ATOM 0 HE1 PHE A 58 -5.049 17.629 -8.372 1.00 13.32 H new ATOM 0 HE2 PHE A 58 -3.752 20.821 -10.884 1.00 51.05 H new ATOM 0 HZ PHE A 58 -4.932 18.677 -10.598 1.00 14.14 H new ATOM 921 N THR A 59 -3.402 22.969 -3.382 1.00 4.20 N ATOM 922 CA THR A 59 -2.794 23.455 -2.150 1.00 22.31 C ATOM 923 C THR A 59 -3.034 22.486 -0.998 1.00 21.11 C ATOM 924 O THR A 59 -2.205 22.358 -0.098 1.00 21.14 O ATOM 925 CB THR A 59 -3.341 24.842 -1.763 1.00 62.34 C ATOM 926 OG1 THR A 59 -2.885 25.827 -2.696 1.00 4.22 O ATOM 927 CG2 THR A 59 -2.901 25.224 -0.358 1.00 32.12 C ATOM 0 H THR A 59 -4.247 23.468 -3.661 1.00 4.20 H new ATOM 0 HA THR A 59 -1.723 23.534 -2.336 1.00 22.31 H new ATOM 0 HB THR A 59 -4.430 24.798 -1.786 1.00 62.34 H new ATOM 0 HG1 THR A 59 -2.537 25.382 -3.497 1.00 4.22 H new ATOM 0 HG21 THR A 59 -3.299 26.207 -0.107 1.00 32.12 H new ATOM 0 HG22 THR A 59 -3.276 24.488 0.353 1.00 32.12 H new ATOM 0 HG23 THR A 59 -1.812 25.251 -0.312 1.00 32.12 H new ATOM 935 N LYS A 60 -4.174 21.805 -1.033 1.00 35.52 N ATOM 936 CA LYS A 60 -4.524 20.845 0.007 1.00 52.53 C ATOM 937 C LYS A 60 -3.651 19.598 -0.088 1.00 41.24 C ATOM 938 O LYS A 60 -3.602 18.790 0.841 1.00 22.22 O ATOM 939 CB LYS A 60 -6.000 20.456 -0.104 1.00 75.42 C ATOM 940 CG LYS A 60 -6.917 21.629 -0.406 1.00 41.34 C ATOM 941 CD LYS A 60 -8.377 21.262 -0.204 1.00 60.34 C ATOM 942 CE LYS A 60 -8.908 20.431 -1.361 1.00 4.52 C ATOM 943 NZ LYS A 60 -9.530 19.161 -0.893 1.00 64.02 N ATOM 0 H LYS A 60 -4.872 21.900 -1.771 1.00 35.52 H new ATOM 0 HA LYS A 60 -4.351 21.316 0.974 1.00 52.53 H new ATOM 0 HB2 LYS A 60 -6.112 19.707 -0.888 1.00 75.42 H new ATOM 0 HB3 LYS A 60 -6.315 19.990 0.829 1.00 75.42 H new ATOM 0 HG2 LYS A 60 -6.659 22.469 0.239 1.00 41.34 H new ATOM 0 HG3 LYS A 60 -6.762 21.958 -1.434 1.00 41.34 H new ATOM 0 HD2 LYS A 60 -8.488 20.705 0.726 1.00 60.34 H new ATOM 0 HD3 LYS A 60 -8.971 22.170 -0.104 1.00 60.34 H new ATOM 0 HE2 LYS A 60 -9.643 21.012 -1.918 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -8.094 20.204 -2.049 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -10.433 19.013 -1.388 1.00 64.02 H new ATOM 0 HZ2 LYS A 60 -8.890 18.366 -1.095 1.00 64.02 H new ATOM 0 HZ3 LYS A 60 -9.702 19.215 0.131 1.00 64.02 H new ATOM 957 N TYR A 61 -2.962 19.448 -1.213 1.00 14.05 N ATOM 958 CA TYR A 61 -2.091 18.298 -1.429 1.00 71.14 C ATOM 959 C TYR A 61 -0.656 18.744 -1.694 1.00 30.13 C ATOM 960 O TYR A 61 -0.153 18.629 -2.812 1.00 60.54 O ATOM 961 CB TYR A 61 -2.601 17.459 -2.602 1.00 71.25 C ATOM 962 CG TYR A 61 -4.108 17.438 -2.722 1.00 2.03 C ATOM 963 CD1 TYR A 61 -4.871 16.545 -1.981 1.00 71.04 C ATOM 964 CD2 TYR A 61 -4.768 18.313 -3.576 1.00 2.40 C ATOM 965 CE1 TYR A 61 -6.249 16.522 -2.088 1.00 44.31 C ATOM 966 CE2 TYR A 61 -6.145 18.299 -3.689 1.00 73.23 C ATOM 967 CZ TYR A 61 -6.881 17.401 -2.943 1.00 4.15 C ATOM 968 OH TYR A 61 -8.252 17.383 -3.052 1.00 1.43 O ATOM 0 H TYR A 61 -2.989 20.108 -1.990 1.00 14.05 H new ATOM 0 HA TYR A 61 -2.102 17.690 -0.524 1.00 71.14 H new ATOM 0 HB2 TYR A 61 -2.177 17.848 -3.528 1.00 71.25 H new ATOM 0 HB3 TYR A 61 -2.240 16.437 -2.491 1.00 71.25 H new ATOM 0 HD1 TYR A 61 -4.379 15.857 -1.310 1.00 71.04 H new ATOM 0 HD2 TYR A 61 -4.195 19.016 -4.162 1.00 2.40 H new ATOM 0 HE1 TYR A 61 -6.827 15.820 -1.506 1.00 44.31 H new ATOM 0 HE2 TYR A 61 -6.642 18.987 -4.357 1.00 73.23 H new ATOM 0 HH TYR A 61 -8.509 16.914 -3.873 1.00 1.43 H new ATOM 978 N THR A 62 -0.001 19.254 -0.656 1.00 71.44 N ATOM 979 CA THR A 62 1.376 19.718 -0.774 1.00 10.10 C ATOM 980 C THR A 62 2.347 18.722 -0.150 1.00 71.52 C ATOM 981 O THR A 62 3.206 18.165 -0.835 1.00 70.23 O ATOM 982 CB THR A 62 1.565 21.091 -0.103 1.00 54.41 C ATOM 983 OG1 THR A 62 0.291 21.694 0.148 1.00 54.14 O ATOM 984 CG2 THR A 62 2.403 22.010 -0.979 1.00 32.11 C ATOM 0 H THR A 62 -0.402 19.356 0.276 1.00 71.44 H new ATOM 0 HA THR A 62 1.589 19.810 -1.839 1.00 10.10 H new ATOM 0 HB THR A 62 2.087 20.940 0.842 1.00 54.41 H new ATOM 0 HG1 THR A 62 0.028 21.527 1.077 1.00 54.14 H new ATOM 0 HG21 THR A 62 2.523 22.974 -0.485 1.00 32.11 H new ATOM 0 HG22 THR A 62 3.383 21.562 -1.144 1.00 32.11 H new ATOM 0 HG23 THR A 62 1.904 22.154 -1.937 1.00 32.11 H new ATOM 992 N LEU A 63 2.206 18.501 1.152 1.00 70.40 N ATOM 993 CA LEU A 63 3.071 17.571 1.868 1.00 22.45 C ATOM 994 C LEU A 63 2.298 16.328 2.297 1.00 21.32 C ATOM 995 O LEU A 63 2.865 15.400 2.874 1.00 24.35 O ATOM 996 CB LEU A 63 3.683 18.252 3.094 1.00 14.53 C ATOM 997 CG LEU A 63 2.895 18.120 4.398 1.00 33.33 C ATOM 998 CD1 LEU A 63 3.436 16.970 5.233 1.00 44.54 C ATOM 999 CD2 LEU A 63 2.944 19.422 5.185 1.00 34.14 C ATOM 0 H LEU A 63 1.501 18.953 1.733 1.00 70.40 H new ATOM 0 HA LEU A 63 3.870 17.265 1.193 1.00 22.45 H new ATOM 0 HB2 LEU A 63 4.680 17.842 3.252 1.00 14.53 H new ATOM 0 HB3 LEU A 63 3.806 19.312 2.873 1.00 14.53 H new ATOM 0 HG LEU A 63 1.855 17.906 4.152 1.00 33.33 H new ATOM 0 HD11 LEU A 63 2.864 16.891 6.157 1.00 44.54 H new ATOM 0 HD12 LEU A 63 3.349 16.040 4.671 1.00 44.54 H new ATOM 0 HD13 LEU A 63 4.484 17.154 5.470 1.00 44.54 H new ATOM 0 HD21 LEU A 63 2.378 19.310 6.110 1.00 34.14 H new ATOM 0 HD22 LEU A 63 3.980 19.666 5.421 1.00 34.14 H new ATOM 0 HD23 LEU A 63 2.509 20.224 4.589 1.00 34.14 H new ATOM 1011 N TRP A 64 1.002 16.316 2.009 1.00 4.53 N ATOM 1012 CA TRP A 64 0.151 15.185 2.363 1.00 50.12 C ATOM 1013 C TRP A 64 0.744 13.877 1.852 1.00 52.11 C ATOM 1014 O TRP A 64 0.477 12.807 2.400 1.00 52.14 O ATOM 1015 CB TRP A 64 -1.255 15.380 1.792 1.00 45.11 C ATOM 1016 CG TRP A 64 -1.477 14.653 0.500 1.00 5.32 C ATOM 1017 CD1 TRP A 64 -2.322 13.602 0.286 1.00 25.31 C ATOM 1018 CD2 TRP A 64 -0.843 14.923 -0.755 1.00 40.31 C ATOM 1019 NE1 TRP A 64 -2.252 13.201 -1.027 1.00 23.33 N ATOM 1020 CE2 TRP A 64 -1.352 13.996 -1.686 1.00 24.22 C ATOM 1021 CE3 TRP A 64 0.103 15.857 -1.184 1.00 53.41 C ATOM 1022 CZ2 TRP A 64 -0.944 13.979 -3.018 1.00 70.32 C ATOM 1023 CZ3 TRP A 64 0.507 15.839 -2.505 1.00 55.11 C ATOM 1024 CH2 TRP A 64 -0.017 14.905 -3.409 1.00 13.15 C ATOM 0 H TRP A 64 0.517 17.076 1.532 1.00 4.53 H new ATOM 0 HA TRP A 64 0.090 15.134 3.450 1.00 50.12 H new ATOM 0 HB2 TRP A 64 -1.987 15.038 2.524 1.00 45.11 H new ATOM 0 HB3 TRP A 64 -1.432 16.444 1.637 1.00 45.11 H new ATOM 0 HD1 TRP A 64 -2.953 13.152 1.038 1.00 25.31 H new ATOM 0 HE1 TRP A 64 -2.784 12.436 -1.443 1.00 23.33 H new ATOM 0 HE3 TRP A 64 0.512 16.581 -0.495 1.00 53.41 H new ATOM 0 HZ2 TRP A 64 -1.346 13.260 -3.717 1.00 70.32 H new ATOM 0 HZ3 TRP A 64 1.239 16.556 -2.847 1.00 55.11 H new ATOM 0 HH2 TRP A 64 0.318 14.917 -4.436 1.00 13.15 H new ATOM 1035 N PHE A 65 1.550 13.969 0.799 1.00 21.42 N ATOM 1036 CA PHE A 65 2.180 12.791 0.214 1.00 54.41 C ATOM 1037 C PHE A 65 3.700 12.922 0.234 1.00 55.14 C ATOM 1038 O PHE A 65 4.418 11.924 0.298 1.00 43.01 O ATOM 1039 CB PHE A 65 1.693 12.586 -1.222 1.00 0.51 C ATOM 1040 CG PHE A 65 0.748 11.429 -1.375 1.00 35.13 C ATOM 1041 CD1 PHE A 65 -0.194 11.152 -0.398 1.00 1.23 C ATOM 1042 CD2 PHE A 65 0.803 10.616 -2.496 1.00 72.04 C ATOM 1043 CE1 PHE A 65 -1.065 10.088 -0.536 1.00 74.41 C ATOM 1044 CE2 PHE A 65 -0.066 9.551 -2.640 1.00 63.43 C ATOM 1045 CZ PHE A 65 -1.000 9.286 -1.658 1.00 12.20 C ATOM 0 H PHE A 65 1.782 14.847 0.334 1.00 21.42 H new ATOM 0 HA PHE A 65 1.899 11.924 0.812 1.00 54.41 H new ATOM 0 HB2 PHE A 65 1.199 13.496 -1.563 1.00 0.51 H new ATOM 0 HB3 PHE A 65 2.555 12.429 -1.871 1.00 0.51 H new ATOM 0 HD1 PHE A 65 -0.248 11.775 0.482 1.00 1.23 H new ATOM 0 HD2 PHE A 65 1.533 10.817 -3.266 1.00 72.04 H new ATOM 0 HE1 PHE A 65 -1.796 9.884 0.233 1.00 74.41 H new ATOM 0 HE2 PHE A 65 -0.015 8.927 -3.520 1.00 63.43 H new ATOM 0 HZ PHE A 65 -1.678 8.453 -1.767 1.00 12.20 H new ATOM 1055 N MET A 66 4.183 14.159 0.177 1.00 21.31 N ATOM 1056 CA MET A 66 5.617 14.420 0.188 1.00 54.24 C ATOM 1057 C MET A 66 6.283 13.748 1.386 1.00 62.12 C ATOM 1058 O MET A 66 7.427 13.300 1.303 1.00 43.23 O ATOM 1059 CB MET A 66 5.882 15.927 0.222 1.00 0.42 C ATOM 1060 CG MET A 66 7.112 16.345 -0.569 1.00 60.21 C ATOM 1061 SD MET A 66 8.207 17.425 0.371 1.00 74.33 S ATOM 1062 CE MET A 66 8.935 16.256 1.516 1.00 12.21 C ATOM 0 H MET A 66 3.602 14.996 0.123 1.00 21.31 H new ATOM 0 HA MET A 66 6.044 14.003 -0.724 1.00 54.24 H new ATOM 0 HB2 MET A 66 5.011 16.450 -0.173 1.00 0.42 H new ATOM 0 HB3 MET A 66 6.001 16.244 1.258 1.00 0.42 H new ATOM 0 HG2 MET A 66 7.661 15.455 -0.876 1.00 60.21 H new ATOM 0 HG3 MET A 66 6.798 16.856 -1.479 1.00 60.21 H new ATOM 0 HE1 MET A 66 8.603 16.484 2.529 1.00 12.21 H new ATOM 0 HE2 MET A 66 8.624 15.245 1.251 1.00 12.21 H new ATOM 0 HE3 MET A 66 10.022 16.326 1.466 1.00 12.21 H new ATOM 1072 N THR A 67 5.559 13.682 2.499 1.00 35.53 N ATOM 1073 CA THR A 67 6.080 13.067 3.713 1.00 25.30 C ATOM 1074 C THR A 67 5.058 12.119 4.331 1.00 54.02 C ATOM 1075 O THR A 67 5.267 11.593 5.423 1.00 4.44 O ATOM 1076 CB THR A 67 6.474 14.129 4.757 1.00 34.44 C ATOM 1077 OG1 THR A 67 7.161 15.211 4.119 1.00 54.41 O ATOM 1078 CG2 THR A 67 7.361 13.525 5.835 1.00 3.14 C ATOM 0 H THR A 67 4.610 14.047 2.584 1.00 35.53 H new ATOM 0 HA THR A 67 6.968 12.504 3.426 1.00 25.30 H new ATOM 0 HB THR A 67 5.563 14.502 5.225 1.00 34.44 H new ATOM 0 HG1 THR A 67 7.407 15.883 4.789 1.00 54.41 H new ATOM 0 HG21 THR A 67 7.626 14.294 6.561 1.00 3.14 H new ATOM 0 HG22 THR A 67 6.825 12.720 6.338 1.00 3.14 H new ATOM 0 HG23 THR A 67 8.268 13.128 5.379 1.00 3.14 H new ATOM 1086 N ASN A 68 3.953 11.905 3.624 1.00 30.33 N ATOM 1087 CA ASN A 68 2.899 11.019 4.103 1.00 74.32 C ATOM 1088 C ASN A 68 2.280 11.557 5.390 1.00 52.13 C ATOM 1089 O ASN A 68 2.023 10.803 6.328 1.00 64.53 O ATOM 1090 CB ASN A 68 3.453 9.613 4.340 1.00 33.53 C ATOM 1091 CG ASN A 68 4.386 9.165 3.231 1.00 60.54 C ATOM 1092 OD1 ASN A 68 4.154 9.451 2.056 1.00 41.20 O ATOM 1093 ND2 ASN A 68 5.447 8.457 3.601 1.00 22.32 N ATOM 0 H ASN A 68 3.765 12.333 2.718 1.00 30.33 H new ATOM 0 HA ASN A 68 2.123 10.972 3.339 1.00 74.32 H new ATOM 0 HB2 ASN A 68 3.986 9.591 5.291 1.00 33.53 H new ATOM 0 HB3 ASN A 68 2.625 8.908 4.422 1.00 33.53 H new ATOM 0 HD21 ASN A 68 6.110 8.127 2.899 1.00 22.32 H new ATOM 0 HD22 ASN A 68 5.599 8.244 4.587 1.00 22.32 H new ATOM 1100 N GLN A 69 2.042 12.864 5.424 1.00 44.34 N ATOM 1101 CA GLN A 69 1.454 13.502 6.595 1.00 22.34 C ATOM 1102 C GLN A 69 0.378 14.504 6.187 1.00 11.24 C ATOM 1103 O GLN A 69 0.679 15.556 5.622 1.00 12.43 O ATOM 1104 CB GLN A 69 2.536 14.205 7.418 1.00 24.40 C ATOM 1105 CG GLN A 69 2.005 14.879 8.672 1.00 53.41 C ATOM 1106 CD GLN A 69 1.854 13.915 9.833 1.00 3.24 C ATOM 1107 OE1 GLN A 69 2.669 13.904 10.756 1.00 30.13 O ATOM 1108 NE2 GLN A 69 0.807 13.100 9.793 1.00 3.22 N ATOM 0 H GLN A 69 2.247 13.501 4.654 1.00 44.34 H new ATOM 0 HA GLN A 69 0.991 12.726 7.205 1.00 22.34 H new ATOM 0 HB2 GLN A 69 3.296 13.477 7.701 1.00 24.40 H new ATOM 0 HB3 GLN A 69 3.027 14.952 6.794 1.00 24.40 H new ATOM 0 HG2 GLN A 69 2.679 15.686 8.960 1.00 53.41 H new ATOM 0 HG3 GLN A 69 1.039 15.334 8.454 1.00 53.41 H new ATOM 0 HE21 GLN A 69 0.157 13.143 9.008 1.00 3.22 H new ATOM 0 HE22 GLN A 69 0.653 12.430 10.547 1.00 3.22 H new ATOM 1117 N ILE A 70 -0.875 14.170 6.476 1.00 53.02 N ATOM 1118 CA ILE A 70 -1.994 15.040 6.139 1.00 1.12 C ATOM 1119 C ILE A 70 -2.162 16.146 7.175 1.00 5.32 C ATOM 1120 O ILE A 70 -2.283 15.877 8.370 1.00 35.42 O ATOM 1121 CB ILE A 70 -3.311 14.248 6.031 1.00 22.12 C ATOM 1122 CG1 ILE A 70 -3.580 13.485 7.330 1.00 23.30 C ATOM 1123 CG2 ILE A 70 -3.259 13.292 4.849 1.00 74.23 C ATOM 1124 CD1 ILE A 70 -4.805 13.970 8.073 1.00 41.24 C ATOM 0 H ILE A 70 -1.141 13.303 6.943 1.00 53.02 H new ATOM 0 HA ILE A 70 -1.767 15.485 5.170 1.00 1.12 H new ATOM 0 HB ILE A 70 -4.128 14.950 5.868 1.00 22.12 H new ATOM 0 HG12 ILE A 70 -3.699 12.426 7.102 1.00 23.30 H new ATOM 0 HG13 ILE A 70 -2.711 13.575 7.981 1.00 23.30 H new ATOM 0 HG21 ILE A 70 -4.197 12.740 4.786 1.00 74.23 H new ATOM 0 HG22 ILE A 70 -3.109 13.858 3.930 1.00 74.23 H new ATOM 0 HG23 ILE A 70 -2.434 12.592 4.983 1.00 74.23 H new ATOM 0 HD11 ILE A 70 -4.934 13.384 8.983 1.00 41.24 H new ATOM 0 HD12 ILE A 70 -4.681 15.021 8.333 1.00 41.24 H new ATOM 0 HD13 ILE A 70 -5.684 13.854 7.439 1.00 41.24 H new ATOM 1136 N ALA A 71 -2.170 17.390 6.709 1.00 53.21 N ATOM 1137 CA ALA A 71 -2.328 18.537 7.595 1.00 71.32 C ATOM 1138 C ALA A 71 -3.659 19.240 7.352 1.00 23.44 C ATOM 1139 O ALA A 71 -3.723 20.302 6.733 1.00 55.01 O ATOM 1140 CB ALA A 71 -1.173 19.510 7.409 1.00 72.44 C ATOM 0 H ALA A 71 -2.069 17.630 5.723 1.00 53.21 H new ATOM 0 HA ALA A 71 -2.322 18.174 8.623 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -1.304 20.362 8.077 1.00 72.44 H new ATOM 0 HB2 ALA A 71 -0.234 19.008 7.641 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -1.153 19.858 6.376 1.00 72.44 H new ATOM 1146 N PRO A 72 -4.748 18.636 7.849 1.00 32.32 N ATOM 1147 CA PRO A 72 -6.098 19.187 7.698 1.00 40.23 C ATOM 1148 C PRO A 72 -6.303 20.452 8.524 1.00 33.14 C ATOM 1149 O PRO A 72 -7.228 21.224 8.273 1.00 11.03 O ATOM 1150 CB PRO A 72 -7.000 18.061 8.211 1.00 14.40 C ATOM 1151 CG PRO A 72 -6.142 17.286 9.150 1.00 21.53 C ATOM 1152 CD PRO A 72 -4.745 17.368 8.598 1.00 55.43 C ATOM 0 HA PRO A 72 -6.305 19.483 6.669 1.00 40.23 H new ATOM 0 HB2 PRO A 72 -7.881 18.458 8.716 1.00 14.40 H new ATOM 0 HB3 PRO A 72 -7.357 17.435 7.393 1.00 14.40 H new ATOM 0 HG2 PRO A 72 -6.189 17.703 10.156 1.00 21.53 H new ATOM 0 HG3 PRO A 72 -6.475 16.250 9.218 1.00 21.53 H new ATOM 0 HD2 PRO A 72 -3.999 17.372 9.392 1.00 55.43 H new ATOM 0 HD3 PRO A 72 -4.518 16.520 7.952 1.00 55.43 H new ATOM 1160 N GLU A 73 -5.434 20.658 9.508 1.00 23.32 N ATOM 1161 CA GLU A 73 -5.522 21.831 10.371 1.00 5.13 C ATOM 1162 C GLU A 73 -5.601 23.111 9.543 1.00 20.24 C ATOM 1163 O GLU A 73 -6.199 24.100 9.965 1.00 42.23 O ATOM 1164 CB GLU A 73 -4.316 21.892 11.310 1.00 31.42 C ATOM 1165 CG GLU A 73 -4.649 21.544 12.751 1.00 1.34 C ATOM 1166 CD GLU A 73 -3.985 20.260 13.210 1.00 12.40 C ATOM 1167 OE1 GLU A 73 -4.596 19.184 13.040 1.00 62.13 O ATOM 1168 OE2 GLU A 73 -2.857 20.331 13.739 1.00 50.44 O ATOM 0 H GLU A 73 -4.662 20.029 9.728 1.00 23.32 H new ATOM 0 HA GLU A 73 -6.432 21.746 10.965 1.00 5.13 H new ATOM 0 HB2 GLU A 73 -3.549 21.208 10.948 1.00 31.42 H new ATOM 0 HB3 GLU A 73 -3.890 22.895 11.276 1.00 31.42 H new ATOM 0 HG2 GLU A 73 -4.337 22.362 13.400 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -5.730 21.448 12.857 1.00 1.34 H new ATOM 1175 N SER A 74 -4.992 23.082 8.361 1.00 3.44 N ATOM 1176 CA SER A 74 -4.989 24.241 7.475 1.00 51.31 C ATOM 1177 C SER A 74 -5.806 23.964 6.217 1.00 0.10 C ATOM 1178 O SER A 74 -6.186 24.885 5.495 1.00 72.23 O ATOM 1179 CB SER A 74 -3.555 24.614 7.094 1.00 74.54 C ATOM 1180 OG SER A 74 -2.813 25.017 8.233 1.00 24.41 O ATOM 0 H SER A 74 -4.495 22.270 7.995 1.00 3.44 H new ATOM 0 HA SER A 74 -5.445 25.076 8.007 1.00 51.31 H new ATOM 0 HB2 SER A 74 -3.067 23.761 6.621 1.00 74.54 H new ATOM 0 HB3 SER A 74 -3.568 25.420 6.361 1.00 74.54 H new ATOM 0 HG SER A 74 -2.130 25.667 7.965 1.00 24.41 H new ATOM 1186 N GLY A 75 -6.071 22.687 5.960 1.00 44.22 N ATOM 1187 CA GLY A 75 -6.841 22.310 4.789 1.00 41.33 C ATOM 1188 C GLY A 75 -6.075 21.386 3.864 1.00 61.32 C ATOM 1189 O GLY A 75 -6.266 21.415 2.649 1.00 21.02 O ATOM 0 H GLY A 75 -5.766 21.907 6.542 1.00 44.22 H new ATOM 0 HA2 GLY A 75 -7.762 21.820 5.106 1.00 41.33 H new ATOM 0 HA3 GLY A 75 -7.129 23.208 4.243 1.00 41.33 H new ATOM 1193 N GLN A 76 -5.203 20.564 4.440 1.00 43.44 N ATOM 1194 CA GLN A 76 -4.403 19.629 3.658 1.00 71.34 C ATOM 1195 C GLN A 76 -4.792 18.187 3.969 1.00 22.20 C ATOM 1196 O GLN A 76 -4.599 17.710 5.088 1.00 15.14 O ATOM 1197 CB GLN A 76 -2.914 19.840 3.938 1.00 1.44 C ATOM 1198 CG GLN A 76 -2.501 21.303 3.960 1.00 0.22 C ATOM 1199 CD GLN A 76 -1.005 21.489 3.799 1.00 70.30 C ATOM 1200 OE1 GLN A 76 -0.461 20.987 2.696 1.00 4.14 O flip ATOM 1201 NE2 GLN A 76 -0.345 22.076 4.656 1.00 55.24 N flip ATOM 0 H GLN A 76 -5.033 20.527 5.445 1.00 43.44 H new ATOM 0 HA GLN A 76 -4.597 19.819 2.602 1.00 71.34 H new ATOM 0 HB2 GLN A 76 -2.665 19.386 4.897 1.00 1.44 H new ATOM 0 HB3 GLN A 76 -2.332 19.318 3.178 1.00 1.44 H new ATOM 0 HG2 GLN A 76 -3.018 21.835 3.161 1.00 0.22 H new ATOM 0 HG3 GLN A 76 -2.820 21.753 4.900 1.00 0.22 H new ATOM 0 HE21 GLN A 76 -0.804 22.446 5.488 1.00 55.24 H new ATOM 0 HE22 GLN A 76 0.661 22.192 4.534 1.00 55.24 H new ATOM 1210 N ILE A 77 -5.340 17.499 2.973 1.00 35.21 N ATOM 1211 CA ILE A 77 -5.755 16.112 3.141 1.00 50.55 C ATOM 1212 C ILE A 77 -5.560 15.320 1.853 1.00 25.22 C ATOM 1213 O ILE A 77 -5.223 15.883 0.811 1.00 5.00 O ATOM 1214 CB ILE A 77 -7.231 16.014 3.572 1.00 45.42 C ATOM 1215 CG1 ILE A 77 -8.152 16.252 2.373 1.00 11.52 C ATOM 1216 CG2 ILE A 77 -7.526 17.014 4.680 1.00 62.31 C ATOM 1217 CD1 ILE A 77 -7.963 17.605 1.725 1.00 65.21 C ATOM 0 H ILE A 77 -5.507 17.879 2.041 1.00 35.21 H new ATOM 0 HA ILE A 77 -5.127 15.688 3.924 1.00 50.55 H new ATOM 0 HB ILE A 77 -7.417 15.011 3.955 1.00 45.42 H new ATOM 0 HG12 ILE A 77 -7.976 15.474 1.630 1.00 11.52 H new ATOM 0 HG13 ILE A 77 -9.188 16.155 2.696 1.00 11.52 H new ATOM 0 HG21 ILE A 77 -8.572 16.933 4.974 1.00 62.31 H new ATOM 0 HG22 ILE A 77 -6.890 16.803 5.540 1.00 62.31 H new ATOM 0 HG23 ILE A 77 -7.327 18.024 4.321 1.00 62.31 H new ATOM 0 HD11 ILE A 77 -8.648 17.704 0.883 1.00 65.21 H new ATOM 0 HD12 ILE A 77 -8.168 18.389 2.454 1.00 65.21 H new ATOM 0 HD13 ILE A 77 -6.936 17.698 1.371 1.00 65.21 H new ATOM 1229 N ALA A 78 -5.775 14.011 1.931 1.00 44.32 N ATOM 1230 CA ALA A 78 -5.627 13.142 0.770 1.00 35.42 C ATOM 1231 C ALA A 78 -6.944 13.005 0.015 1.00 61.12 C ATOM 1232 O ALA A 78 -8.024 12.959 0.604 1.00 40.31 O ATOM 1233 CB ALA A 78 -5.117 11.774 1.198 1.00 72.54 C ATOM 0 H ALA A 78 -6.052 13.529 2.786 1.00 44.32 H new ATOM 0 HA ALA A 78 -4.899 13.596 0.097 1.00 35.42 H new ATOM 0 HB1 ALA A 78 -5.011 11.135 0.322 1.00 72.54 H new ATOM 0 HB2 ALA A 78 -4.149 11.883 1.687 1.00 72.54 H new ATOM 0 HB3 ALA A 78 -5.825 11.323 1.893 1.00 72.54 H new ATOM 1239 N PRO A 79 -6.857 12.940 -1.322 1.00 45.11 N ATOM 1240 CA PRO A 79 -8.033 12.808 -2.187 1.00 73.10 C ATOM 1241 C PRO A 79 -8.691 11.438 -2.066 1.00 74.34 C ATOM 1242 O PRO A 79 -8.362 10.658 -1.172 1.00 72.43 O ATOM 1243 CB PRO A 79 -7.462 13.004 -3.594 1.00 3.43 C ATOM 1244 CG PRO A 79 -6.031 12.606 -3.481 1.00 4.55 C ATOM 1245 CD PRO A 79 -5.602 12.990 -2.092 1.00 54.14 C ATOM 0 HA PRO A 79 -8.814 13.522 -1.925 1.00 73.10 H new ATOM 0 HB2 PRO A 79 -7.988 12.388 -4.324 1.00 3.43 H new ATOM 0 HB3 PRO A 79 -7.560 14.039 -3.920 1.00 3.43 H new ATOM 0 HG2 PRO A 79 -5.910 11.535 -3.645 1.00 4.55 H new ATOM 0 HG3 PRO A 79 -5.424 13.114 -4.231 1.00 4.55 H new ATOM 0 HD2 PRO A 79 -4.859 12.298 -1.695 1.00 54.14 H new ATOM 0 HD3 PRO A 79 -5.156 13.984 -2.069 1.00 54.14 H new ATOM 1253 N ALA A 80 -9.622 11.151 -2.970 1.00 1.11 N ATOM 1254 CA ALA A 80 -10.324 9.874 -2.965 1.00 34.34 C ATOM 1255 C ALA A 80 -9.504 8.794 -3.662 1.00 51.31 C ATOM 1256 O ALA A 80 -9.378 7.676 -3.162 1.00 70.35 O ATOM 1257 CB ALA A 80 -11.685 10.018 -3.629 1.00 63.50 C ATOM 0 H ALA A 80 -9.907 11.786 -3.715 1.00 1.11 H new ATOM 0 HA ALA A 80 -10.468 9.570 -1.928 1.00 34.34 H new ATOM 0 HB1 ALA A 80 -12.199 9.057 -3.618 1.00 63.50 H new ATOM 0 HB2 ALA A 80 -12.279 10.753 -3.086 1.00 63.50 H new ATOM 0 HB3 ALA A 80 -11.554 10.348 -4.660 1.00 63.50 H new ATOM 1263 N LEU A 81 -8.949 9.135 -4.820 1.00 5.22 N ATOM 1264 CA LEU A 81 -8.141 8.193 -5.587 1.00 2.43 C ATOM 1265 C LEU A 81 -6.910 7.762 -4.797 1.00 54.42 C ATOM 1266 O LEU A 81 -6.475 6.614 -4.884 1.00 41.41 O ATOM 1267 CB LEU A 81 -7.715 8.821 -6.915 1.00 34.21 C ATOM 1268 CG LEU A 81 -8.836 9.098 -7.917 1.00 32.21 C ATOM 1269 CD1 LEU A 81 -9.053 10.595 -8.076 1.00 11.43 C ATOM 1270 CD2 LEU A 81 -8.521 8.457 -9.261 1.00 41.44 C ATOM 0 H LEU A 81 -9.044 10.056 -5.248 1.00 5.22 H new ATOM 0 HA LEU A 81 -8.748 7.310 -5.787 1.00 2.43 H new ATOM 0 HB2 LEU A 81 -7.205 9.760 -6.702 1.00 34.21 H new ATOM 0 HB3 LEU A 81 -6.987 8.162 -7.388 1.00 34.21 H new ATOM 0 HG LEU A 81 -9.756 8.657 -7.534 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -9.855 10.772 -8.793 1.00 11.43 H new ATOM 0 HD12 LEU A 81 -9.325 11.027 -7.113 1.00 11.43 H new ATOM 0 HD13 LEU A 81 -8.135 11.060 -8.436 1.00 11.43 H new ATOM 0 HD21 LEU A 81 -9.330 8.665 -9.962 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -7.589 8.867 -9.650 1.00 41.44 H new ATOM 0 HD23 LEU A 81 -8.418 7.379 -9.135 1.00 41.44 H new ATOM 1282 N ALA A 82 -6.354 8.690 -4.025 1.00 61.40 N ATOM 1283 CA ALA A 82 -5.175 8.405 -3.216 1.00 42.42 C ATOM 1284 C ALA A 82 -5.377 7.149 -2.376 1.00 41.25 C ATOM 1285 O ALA A 82 -6.380 7.012 -1.675 1.00 1.31 O ATOM 1286 CB ALA A 82 -4.849 9.593 -2.322 1.00 60.33 C ATOM 0 H ALA A 82 -6.701 9.646 -3.943 1.00 61.40 H new ATOM 0 HA ALA A 82 -4.336 8.230 -3.889 1.00 42.42 H new ATOM 0 HB1 ALA A 82 -3.967 9.367 -1.723 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -4.654 10.470 -2.939 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -5.693 9.794 -1.662 1.00 60.33 H new ATOM 1292 N HIS A 83 -4.417 6.232 -2.451 1.00 52.44 N ATOM 1293 CA HIS A 83 -4.490 4.985 -1.698 1.00 62.14 C ATOM 1294 C HIS A 83 -3.735 5.104 -0.377 1.00 43.04 C ATOM 1295 O HIS A 83 -3.104 4.149 0.077 1.00 74.24 O ATOM 1296 CB HIS A 83 -3.919 3.832 -2.523 1.00 52.01 C ATOM 1297 CG HIS A 83 -4.826 3.376 -3.623 1.00 71.45 C ATOM 1298 ND1 HIS A 83 -5.529 2.190 -3.577 1.00 72.31 N ATOM 1299 CD2 HIS A 83 -5.145 3.954 -4.805 1.00 33.10 C ATOM 1300 CE1 HIS A 83 -6.240 2.059 -4.682 1.00 41.15 C ATOM 1301 NE2 HIS A 83 -6.025 3.116 -5.444 1.00 35.44 N ATOM 0 H HIS A 83 -3.580 6.329 -3.025 1.00 52.44 H new ATOM 0 HA HIS A 83 -5.538 4.781 -1.481 1.00 62.14 H new ATOM 0 HB2 HIS A 83 -2.966 4.141 -2.953 1.00 52.01 H new ATOM 0 HB3 HIS A 83 -3.712 2.991 -1.862 1.00 52.01 H new ATOM 0 HD2 HIS A 83 -4.776 4.899 -5.176 1.00 33.10 H new ATOM 0 HE1 HIS A 83 -6.887 1.228 -4.922 1.00 41.15 H new ATOM 0 HE2 HIS A 83 -6.445 3.283 -6.359 1.00 35.44 H new ATOM 1309 N PHE A 84 -3.804 6.282 0.234 1.00 61.54 N ATOM 1310 CA PHE A 84 -3.126 6.526 1.502 1.00 21.02 C ATOM 1311 C PHE A 84 -4.069 7.184 2.505 1.00 45.34 C ATOM 1312 O PHE A 84 -4.553 6.539 3.434 1.00 11.55 O ATOM 1313 CB PHE A 84 -1.896 7.411 1.285 1.00 72.42 C ATOM 1314 CG PHE A 84 -0.595 6.675 1.431 1.00 14.02 C ATOM 1315 CD1 PHE A 84 0.025 6.577 2.666 1.00 20.34 C ATOM 1316 CD2 PHE A 84 0.008 6.082 0.333 1.00 43.32 C ATOM 1317 CE1 PHE A 84 1.223 5.900 2.804 1.00 14.32 C ATOM 1318 CE2 PHE A 84 1.205 5.404 0.466 1.00 15.34 C ATOM 1319 CZ PHE A 84 1.814 5.314 1.702 1.00 4.42 C ATOM 0 H PHE A 84 -4.322 7.082 -0.128 1.00 61.54 H new ATOM 0 HA PHE A 84 -2.807 5.565 1.906 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -1.946 7.851 0.289 1.00 72.42 H new ATOM 0 HB3 PHE A 84 -1.920 8.235 1.999 1.00 72.42 H new ATOM 0 HD1 PHE A 84 -0.432 7.034 3.531 1.00 20.34 H new ATOM 0 HD2 PHE A 84 -0.462 6.150 -0.637 1.00 43.32 H new ATOM 0 HE1 PHE A 84 1.696 5.830 3.772 1.00 14.32 H new ATOM 0 HE2 PHE A 84 1.664 4.945 -0.397 1.00 15.34 H new ATOM 0 HZ PHE A 84 2.751 4.786 1.807 1.00 4.42 H new ATOM 1573 N THR B 4 15.993 31.602 -4.546 1.00 72.34 N ATOM 1574 CA THR B 4 16.050 30.485 -5.480 1.00 42.42 C ATOM 1575 C THR B 4 15.647 29.180 -4.801 1.00 52.45 C ATOM 1576 O THR B 4 15.721 29.058 -3.578 1.00 62.33 O ATOM 1577 CB THR B 4 17.460 30.325 -6.079 1.00 14.31 C ATOM 1578 OG1 THR B 4 18.017 31.612 -6.370 1.00 24.44 O ATOM 1579 CG2 THR B 4 17.417 29.487 -7.348 1.00 44.11 C ATOM 0 HA THR B 4 15.346 30.707 -6.282 1.00 42.42 H new ATOM 0 HB THR B 4 18.086 29.815 -5.347 1.00 14.31 H new ATOM 0 HG1 THR B 4 17.621 32.282 -5.774 1.00 24.44 H new ATOM 0 HG21 THR B 4 18.424 29.388 -7.753 1.00 44.11 H new ATOM 0 HG22 THR B 4 17.019 28.499 -7.118 1.00 44.11 H new ATOM 0 HG23 THR B 4 16.777 29.973 -8.084 1.00 44.11 H new ATOM 1587 N ILE B 5 15.223 28.209 -5.602 1.00 72.43 N ATOM 1588 CA ILE B 5 14.811 26.913 -5.078 1.00 60.40 C ATOM 1589 C ILE B 5 15.872 26.333 -4.149 1.00 73.52 C ATOM 1590 O ILE B 5 15.555 25.778 -3.097 1.00 14.01 O ATOM 1591 CB ILE B 5 14.535 25.908 -6.213 1.00 41.35 C ATOM 1592 CG1 ILE B 5 13.438 26.440 -7.138 1.00 41.00 C ATOM 1593 CG2 ILE B 5 14.141 24.556 -5.639 1.00 64.43 C ATOM 1594 CD1 ILE B 5 13.624 26.043 -8.586 1.00 71.13 C ATOM 0 H ILE B 5 15.156 28.295 -6.616 1.00 72.43 H new ATOM 0 HA ILE B 5 13.891 27.078 -4.518 1.00 60.40 H new ATOM 0 HB ILE B 5 15.447 25.781 -6.796 1.00 41.35 H new ATOM 0 HG12 ILE B 5 12.472 26.074 -6.791 1.00 41.00 H new ATOM 0 HG13 ILE B 5 13.411 27.527 -7.068 1.00 41.00 H new ATOM 0 HG21 ILE B 5 13.949 23.857 -6.453 1.00 64.43 H new ATOM 0 HG22 ILE B 5 14.951 24.175 -5.017 1.00 64.43 H new ATOM 0 HG23 ILE B 5 13.240 24.666 -5.035 1.00 64.43 H new ATOM 0 HD11 ILE B 5 12.810 26.454 -9.183 1.00 71.13 H new ATOM 0 HD12 ILE B 5 14.575 26.432 -8.951 1.00 71.13 H new ATOM 0 HD13 ILE B 5 13.621 24.956 -8.669 1.00 71.13 H new ATOM 1606 N SER B 6 17.134 26.467 -4.544 1.00 1.32 N ATOM 1607 CA SER B 6 18.243 25.955 -3.748 1.00 35.53 C ATOM 1608 C SER B 6 18.332 26.682 -2.409 1.00 22.31 C ATOM 1609 O SER B 6 18.526 26.060 -1.365 1.00 0.21 O ATOM 1610 CB SER B 6 19.560 26.106 -4.511 1.00 41.32 C ATOM 1611 OG SER B 6 20.238 27.290 -4.129 1.00 21.35 O ATOM 0 H SER B 6 17.414 26.926 -5.411 1.00 1.32 H new ATOM 0 HA SER B 6 18.062 24.897 -3.557 1.00 35.53 H new ATOM 0 HB2 SER B 6 20.196 25.241 -4.320 1.00 41.32 H new ATOM 0 HB3 SER B 6 19.363 26.126 -5.583 1.00 41.32 H new ATOM 0 HG SER B 6 20.861 27.089 -3.400 1.00 21.35 H new ATOM 1617 N GLU B 7 18.189 28.003 -2.450 1.00 32.11 N ATOM 1618 CA GLU B 7 18.254 28.815 -1.241 1.00 62.35 C ATOM 1619 C GLU B 7 17.215 28.357 -0.221 1.00 42.41 C ATOM 1620 O GLU B 7 17.412 28.491 0.987 1.00 11.21 O ATOM 1621 CB GLU B 7 18.036 30.292 -1.579 1.00 23.21 C ATOM 1622 CG GLU B 7 19.324 31.093 -1.661 1.00 1.43 C ATOM 1623 CD GLU B 7 19.420 32.154 -0.581 1.00 1.34 C ATOM 1624 OE1 GLU B 7 18.381 32.762 -0.252 1.00 64.22 O ATOM 1625 OE2 GLU B 7 20.536 32.376 -0.066 1.00 2.32 O ATOM 0 H GLU B 7 18.028 28.533 -3.306 1.00 32.11 H new ATOM 0 HA GLU B 7 19.245 28.692 -0.805 1.00 62.35 H new ATOM 0 HB2 GLU B 7 17.511 30.365 -2.532 1.00 23.21 H new ATOM 0 HB3 GLU B 7 17.388 30.737 -0.824 1.00 23.21 H new ATOM 0 HG2 GLU B 7 20.174 30.416 -1.577 1.00 1.43 H new ATOM 0 HG3 GLU B 7 19.390 31.569 -2.640 1.00 1.43 H new ATOM 1632 N LYS B 8 16.107 27.817 -0.717 1.00 33.03 N ATOM 1633 CA LYS B 8 15.035 27.338 0.149 1.00 74.20 C ATOM 1634 C LYS B 8 15.506 26.162 0.998 1.00 72.42 C ATOM 1635 O LYS B 8 14.883 25.822 2.004 1.00 55.43 O ATOM 1636 CB LYS B 8 13.823 26.923 -0.688 1.00 61.22 C ATOM 1637 CG LYS B 8 13.487 27.903 -1.799 1.00 10.12 C ATOM 1638 CD LYS B 8 12.034 27.783 -2.228 1.00 72.53 C ATOM 1639 CE LYS B 8 11.313 29.119 -2.130 1.00 74.45 C ATOM 1640 NZ LYS B 8 10.449 29.371 -3.317 1.00 44.13 N ATOM 0 H LYS B 8 15.927 27.700 -1.714 1.00 33.03 H new ATOM 0 HA LYS B 8 14.748 28.152 0.815 1.00 74.20 H new ATOM 0 HB2 LYS B 8 14.012 25.942 -1.125 1.00 61.22 H new ATOM 0 HB3 LYS B 8 12.958 26.819 -0.033 1.00 61.22 H new ATOM 0 HG2 LYS B 8 13.684 28.920 -1.460 1.00 10.12 H new ATOM 0 HG3 LYS B 8 14.136 27.720 -2.655 1.00 10.12 H new ATOM 0 HD2 LYS B 8 11.985 27.416 -3.253 1.00 72.53 H new ATOM 0 HD3 LYS B 8 11.528 27.048 -1.602 1.00 72.53 H new ATOM 0 HE2 LYS B 8 10.703 29.137 -1.227 1.00 74.45 H new ATOM 0 HE3 LYS B 8 12.045 29.921 -2.037 1.00 74.45 H new ATOM 0 HZ1 LYS B 8 9.975 30.291 -3.212 1.00 44.13 H new ATOM 0 HZ2 LYS B 8 11.034 29.379 -4.177 1.00 44.13 H new ATOM 0 HZ3 LYS B 8 9.734 28.620 -3.392 1.00 44.13 H new ATOM 1654 N ILE B 9 16.610 25.546 0.587 1.00 12.54 N ATOM 1655 CA ILE B 9 17.165 24.410 1.312 1.00 14.12 C ATOM 1656 C ILE B 9 18.452 24.794 2.034 1.00 2.44 C ATOM 1657 O ILE B 9 19.091 23.959 2.674 1.00 32.42 O ATOM 1658 CB ILE B 9 17.452 23.226 0.369 1.00 61.41 C ATOM 1659 CG1 ILE B 9 16.287 23.026 -0.603 1.00 2.42 C ATOM 1660 CG2 ILE B 9 17.702 21.958 1.172 1.00 21.54 C ATOM 1661 CD1 ILE B 9 16.513 21.907 -1.594 1.00 4.43 C ATOM 0 H ILE B 9 17.137 25.815 -0.244 1.00 12.54 H new ATOM 0 HA ILE B 9 16.417 24.107 2.045 1.00 14.12 H new ATOM 0 HB ILE B 9 18.349 23.450 -0.209 1.00 61.41 H new ATOM 0 HG12 ILE B 9 15.381 22.819 -0.034 1.00 2.42 H new ATOM 0 HG13 ILE B 9 16.116 23.954 -1.148 1.00 2.42 H new ATOM 0 HG21 ILE B 9 17.903 21.130 0.492 1.00 21.54 H new ATOM 0 HG22 ILE B 9 18.560 22.106 1.828 1.00 21.54 H new ATOM 0 HG23 ILE B 9 16.822 21.728 1.773 1.00 21.54 H new ATOM 0 HD11 ILE B 9 15.647 21.822 -2.251 1.00 4.43 H new ATOM 0 HD12 ILE B 9 17.401 22.122 -2.189 1.00 4.43 H new ATOM 0 HD13 ILE B 9 16.654 20.969 -1.057 1.00 4.43 H new ATOM 1673 N VAL B 10 18.827 26.065 1.927 1.00 31.43 N ATOM 1674 CA VAL B 10 20.037 26.562 2.572 1.00 4.14 C ATOM 1675 C VAL B 10 19.701 27.393 3.805 1.00 20.24 C ATOM 1676 O VAL B 10 20.272 27.192 4.877 1.00 25.00 O ATOM 1677 CB VAL B 10 20.878 27.415 1.604 1.00 14.00 C ATOM 1678 CG1 VAL B 10 22.220 27.765 2.230 1.00 0.51 C ATOM 1679 CG2 VAL B 10 21.071 26.688 0.282 1.00 13.31 C ATOM 0 H VAL B 10 18.310 26.769 1.400 1.00 31.43 H new ATOM 0 HA VAL B 10 20.617 25.690 2.873 1.00 4.14 H new ATOM 0 HB VAL B 10 20.342 28.343 1.406 1.00 14.00 H new ATOM 0 HG11 VAL B 10 22.801 28.368 1.532 1.00 0.51 H new ATOM 0 HG12 VAL B 10 22.057 28.329 3.148 1.00 0.51 H new ATOM 0 HG13 VAL B 10 22.765 26.849 2.459 1.00 0.51 H new ATOM 0 HG21 VAL B 10 21.667 27.306 -0.389 1.00 13.31 H new ATOM 0 HG22 VAL B 10 21.585 25.743 0.458 1.00 13.31 H new ATOM 0 HG23 VAL B 10 20.099 26.493 -0.172 1.00 13.31 H new ATOM 1689 N LEU B 11 18.770 28.327 3.645 1.00 4.44 N ATOM 1690 CA LEU B 11 18.356 29.190 4.746 1.00 2.34 C ATOM 1691 C LEU B 11 17.851 28.365 5.925 1.00 45.43 C ATOM 1692 O LEU B 11 18.268 28.570 7.064 1.00 75.44 O ATOM 1693 CB LEU B 11 17.265 30.157 4.281 1.00 4.21 C ATOM 1694 CG LEU B 11 16.121 29.539 3.476 1.00 62.10 C ATOM 1695 CD1 LEU B 11 14.919 29.280 4.371 1.00 1.11 C ATOM 1696 CD2 LEU B 11 15.737 30.444 2.314 1.00 42.24 C ATOM 0 H LEU B 11 18.288 28.506 2.764 1.00 4.44 H new ATOM 0 HA LEU B 11 19.225 29.762 5.072 1.00 2.34 H new ATOM 0 HB2 LEU B 11 16.843 30.646 5.159 1.00 4.21 H new ATOM 0 HB3 LEU B 11 17.730 30.935 3.676 1.00 4.21 H new ATOM 0 HG LEU B 11 16.460 28.585 3.071 1.00 62.10 H new ATOM 0 HD11 LEU B 11 14.115 28.840 3.782 1.00 1.11 H new ATOM 0 HD12 LEU B 11 15.201 28.594 5.169 1.00 1.11 H new ATOM 0 HD13 LEU B 11 14.579 30.220 4.805 1.00 1.11 H new ATOM 0 HD21 LEU B 11 14.922 29.989 1.752 1.00 42.24 H new ATOM 0 HD22 LEU B 11 15.417 31.413 2.698 1.00 42.24 H new ATOM 0 HD23 LEU B 11 16.597 30.580 1.659 1.00 42.24 H new ATOM 1708 N MET B 12 16.950 27.429 5.642 1.00 15.32 N ATOM 1709 CA MET B 12 16.391 26.569 6.679 1.00 4.44 C ATOM 1710 C MET B 12 17.436 25.584 7.192 1.00 75.53 C ATOM 1711 O MET B 12 17.540 25.344 8.395 1.00 31.24 O ATOM 1712 CB MET B 12 15.177 25.809 6.141 1.00 24.25 C ATOM 1713 CG MET B 12 15.457 25.049 4.855 1.00 13.14 C ATOM 1714 SD MET B 12 15.651 23.277 5.124 1.00 25.25 S ATOM 1715 CE MET B 12 14.961 22.627 3.604 1.00 64.33 C ATOM 0 H MET B 12 16.592 27.247 4.704 1.00 15.32 H new ATOM 0 HA MET B 12 16.077 27.201 7.509 1.00 4.44 H new ATOM 0 HB2 MET B 12 14.832 25.107 6.900 1.00 24.25 H new ATOM 0 HB3 MET B 12 14.365 26.515 5.967 1.00 24.25 H new ATOM 0 HG2 MET B 12 14.641 25.219 4.152 1.00 13.14 H new ATOM 0 HG3 MET B 12 16.362 25.444 4.394 1.00 13.14 H new ATOM 0 HE1 MET B 12 15.485 21.712 3.329 1.00 64.33 H new ATOM 0 HE2 MET B 12 13.903 22.410 3.749 1.00 64.33 H new ATOM 0 HE3 MET B 12 15.075 23.364 2.809 1.00 64.33 H new ATOM 1725 N ARG B 13 18.208 25.016 6.271 1.00 31.24 N ATOM 1726 CA ARG B 13 19.245 24.055 6.630 1.00 74.51 C ATOM 1727 C ARG B 13 20.183 24.636 7.685 1.00 20.12 C ATOM 1728 O ARG B 13 20.383 24.046 8.746 1.00 41.34 O ATOM 1729 CB ARG B 13 20.043 23.647 5.391 1.00 32.34 C ATOM 1730 CG ARG B 13 21.295 22.846 5.710 1.00 45.45 C ATOM 1731 CD ARG B 13 21.915 22.257 4.452 1.00 63.05 C ATOM 1732 NE ARG B 13 23.357 22.483 4.395 1.00 42.01 N ATOM 1733 CZ ARG B 13 23.907 23.681 4.228 1.00 41.31 C ATOM 1734 NH1 ARG B 13 23.139 24.755 4.104 1.00 23.35 N ATOM 1735 NH2 ARG B 13 25.227 23.806 4.187 1.00 12.23 N ATOM 0 H ARG B 13 18.135 25.204 5.271 1.00 31.24 H new ATOM 0 HA ARG B 13 18.759 23.173 7.047 1.00 74.51 H new ATOM 0 HB2 ARG B 13 19.403 23.058 4.734 1.00 32.34 H new ATOM 0 HB3 ARG B 13 20.326 24.544 4.840 1.00 32.34 H new ATOM 0 HG2 ARG B 13 22.021 23.487 6.209 1.00 45.45 H new ATOM 0 HG3 ARG B 13 21.048 22.044 6.405 1.00 45.45 H new ATOM 0 HD2 ARG B 13 21.714 21.186 4.416 1.00 63.05 H new ATOM 0 HD3 ARG B 13 21.444 22.699 3.574 1.00 63.05 H new ATOM 0 HE ARG B 13 23.975 21.677 4.488 1.00 42.01 H new ATOM 0 HH11 ARG B 13 22.124 24.663 4.137 1.00 23.35 H new ATOM 0 HH12 ARG B 13 23.564 25.674 3.976 1.00 23.35 H new ATOM 0 HH21 ARG B 13 25.821 22.982 4.284 1.00 12.23 H new ATOM 0 HH22 ARG B 13 25.648 24.726 4.059 1.00 12.23 H new ATOM 1749 N LYS B 14 20.756 25.797 7.384 1.00 12.22 N ATOM 1750 CA LYS B 14 21.672 26.459 8.305 1.00 65.30 C ATOM 1751 C LYS B 14 20.969 26.814 9.611 1.00 55.42 C ATOM 1752 O LYS B 14 21.616 27.063 10.628 1.00 72.04 O ATOM 1753 CB LYS B 14 22.247 27.723 7.663 1.00 13.55 C ATOM 1754 CG LYS B 14 23.390 27.451 6.700 1.00 13.50 C ATOM 1755 CD LYS B 14 23.913 28.734 6.078 1.00 31.23 C ATOM 1756 CE LYS B 14 22.871 29.384 5.180 1.00 22.12 C ATOM 1757 NZ LYS B 14 23.495 30.260 4.150 1.00 72.34 N ATOM 0 H LYS B 14 20.602 26.299 6.509 1.00 12.22 H new ATOM 0 HA LYS B 14 22.486 25.769 8.527 1.00 65.30 H new ATOM 0 HB2 LYS B 14 21.451 28.244 7.131 1.00 13.55 H new ATOM 0 HB3 LYS B 14 22.597 28.393 8.449 1.00 13.55 H new ATOM 0 HG2 LYS B 14 24.199 26.946 7.228 1.00 13.50 H new ATOM 0 HG3 LYS B 14 23.052 26.776 5.914 1.00 13.50 H new ATOM 0 HD2 LYS B 14 24.201 29.430 6.866 1.00 31.23 H new ATOM 0 HD3 LYS B 14 24.811 28.519 5.499 1.00 31.23 H new ATOM 0 HE2 LYS B 14 22.281 28.610 4.689 1.00 22.12 H new ATOM 0 HE3 LYS B 14 22.183 29.972 5.788 1.00 22.12 H new ATOM 0 HZ1 LYS B 14 22.752 30.684 3.559 1.00 72.34 H new ATOM 0 HZ2 LYS B 14 24.037 31.014 4.618 1.00 72.34 H new ATOM 0 HZ3 LYS B 14 24.132 29.695 3.553 1.00 72.34 H new ATOM 1771 N SER B 15 19.640 26.834 9.576 1.00 70.12 N ATOM 1772 CA SER B 15 18.849 27.161 10.757 1.00 60.13 C ATOM 1773 C SER B 15 18.896 26.025 11.773 1.00 64.13 C ATOM 1774 O SER B 15 18.646 26.230 12.961 1.00 73.31 O ATOM 1775 CB SER B 15 17.399 27.449 10.362 1.00 63.31 C ATOM 1776 OG SER B 15 16.563 26.342 10.652 1.00 42.11 O ATOM 0 H SER B 15 19.089 26.628 8.743 1.00 70.12 H new ATOM 0 HA SER B 15 19.277 28.053 11.215 1.00 60.13 H new ATOM 0 HB2 SER B 15 17.041 28.329 10.896 1.00 63.31 H new ATOM 0 HB3 SER B 15 17.347 27.679 9.298 1.00 63.31 H new ATOM 0 HG SER B 15 16.633 25.681 9.931 1.00 42.11 H new ATOM 1782 N GLU B 16 19.217 24.826 11.297 1.00 40.41 N ATOM 1783 CA GLU B 16 19.295 23.656 12.164 1.00 13.44 C ATOM 1784 C GLU B 16 20.703 23.492 12.730 1.00 32.01 C ATOM 1785 O GLU B 16 20.973 22.563 13.492 1.00 23.44 O ATOM 1786 CB GLU B 16 18.892 22.396 11.396 1.00 54.12 C ATOM 1787 CG GLU B 16 18.595 21.205 12.292 1.00 50.43 C ATOM 1788 CD GLU B 16 17.109 20.937 12.430 1.00 43.22 C ATOM 1789 OE1 GLU B 16 16.435 20.775 11.392 1.00 51.44 O ATOM 1790 OE2 GLU B 16 16.621 20.887 13.579 1.00 35.53 O ATOM 0 H GLU B 16 19.427 24.639 10.316 1.00 40.41 H new ATOM 0 HA GLU B 16 18.603 23.803 12.993 1.00 13.44 H new ATOM 0 HB2 GLU B 16 18.011 22.615 10.793 1.00 54.12 H new ATOM 0 HB3 GLU B 16 19.693 22.130 10.706 1.00 54.12 H new ATOM 0 HG2 GLU B 16 19.084 20.319 11.887 1.00 50.43 H new ATOM 0 HG3 GLU B 16 19.022 21.382 13.279 1.00 50.43 H new ATOM 1797 N TYR B 17 21.596 24.399 12.352 1.00 34.32 N ATOM 1798 CA TYR B 17 22.976 24.354 12.819 1.00 12.14 C ATOM 1799 C TYR B 17 23.676 23.090 12.328 1.00 53.41 C ATOM 1800 O TYR B 17 24.400 22.435 13.080 1.00 71.22 O ATOM 1801 CB TYR B 17 23.023 24.416 14.346 1.00 12.25 C ATOM 1802 CG TYR B 17 22.131 25.485 14.936 1.00 11.31 C ATOM 1803 CD1 TYR B 17 22.121 26.774 14.418 1.00 24.11 C ATOM 1804 CD2 TYR B 17 21.297 25.205 16.012 1.00 4.33 C ATOM 1805 CE1 TYR B 17 21.308 27.754 14.954 1.00 12.34 C ATOM 1806 CE2 TYR B 17 20.479 26.178 16.554 1.00 21.33 C ATOM 1807 CZ TYR B 17 20.489 27.451 16.022 1.00 21.44 C ATOM 1808 OH TYR B 17 19.677 28.424 16.558 1.00 40.42 O ATOM 0 H TYR B 17 21.389 25.175 11.723 1.00 34.32 H new ATOM 0 HA TYR B 17 23.499 25.219 12.411 1.00 12.14 H new ATOM 0 HB2 TYR B 17 22.730 23.447 14.750 1.00 12.25 H new ATOM 0 HB3 TYR B 17 24.050 24.596 14.663 1.00 12.25 H new ATOM 0 HD1 TYR B 17 22.760 27.014 13.581 1.00 24.11 H new ATOM 0 HD2 TYR B 17 21.288 24.210 16.432 1.00 4.33 H new ATOM 0 HE1 TYR B 17 21.314 28.751 14.539 1.00 12.34 H new ATOM 0 HE2 TYR B 17 19.836 25.943 17.389 1.00 21.33 H new ATOM 0 HH TYR B 17 19.163 28.048 17.303 1.00 40.42 H new ATOM 1818 N LEU B 18 23.456 22.753 11.062 1.00 12.20 N ATOM 1819 CA LEU B 18 24.065 21.568 10.469 1.00 24.40 C ATOM 1820 C LEU B 18 24.619 21.877 9.081 1.00 52.21 C ATOM 1821 O LEU B 18 24.150 22.792 8.405 1.00 53.11 O ATOM 1822 CB LEU B 18 23.042 20.434 10.381 1.00 20.43 C ATOM 1823 CG LEU B 18 21.917 20.622 9.363 1.00 13.14 C ATOM 1824 CD1 LEU B 18 22.352 20.131 7.991 1.00 73.11 C ATOM 1825 CD2 LEU B 18 20.659 19.897 9.818 1.00 4.13 C ATOM 0 H LEU B 18 22.860 23.284 10.426 1.00 12.20 H new ATOM 0 HA LEU B 18 24.890 21.256 11.109 1.00 24.40 H new ATOM 0 HB2 LEU B 18 23.571 19.512 10.141 1.00 20.43 H new ATOM 0 HB3 LEU B 18 22.595 20.298 11.366 1.00 20.43 H new ATOM 0 HG LEU B 18 21.692 21.686 9.291 1.00 13.14 H new ATOM 0 HD11 LEU B 18 21.539 20.273 7.279 1.00 73.11 H new ATOM 0 HD12 LEU B 18 23.224 20.696 7.662 1.00 73.11 H new ATOM 0 HD13 LEU B 18 22.605 19.072 8.047 1.00 73.11 H new ATOM 0 HD21 LEU B 18 19.869 20.042 9.081 1.00 4.13 H new ATOM 0 HD22 LEU B 18 20.869 18.832 9.920 1.00 4.13 H new ATOM 0 HD23 LEU B 18 20.336 20.297 10.779 1.00 4.13 H new ATOM 1837 N SER B 19 25.618 21.107 8.663 1.00 12.41 N ATOM 1838 CA SER B 19 26.236 21.299 7.357 1.00 64.34 C ATOM 1839 C SER B 19 25.665 20.320 6.336 1.00 33.32 C ATOM 1840 O SER B 19 24.969 19.369 6.693 1.00 1.23 O ATOM 1841 CB SER B 19 27.753 21.123 7.456 1.00 15.24 C ATOM 1842 OG SER B 19 28.099 20.295 8.553 1.00 63.44 O ATOM 0 H SER B 19 26.017 20.344 9.210 1.00 12.41 H new ATOM 0 HA SER B 19 26.016 22.313 7.024 1.00 64.34 H new ATOM 0 HB2 SER B 19 28.133 20.686 6.532 1.00 15.24 H new ATOM 0 HB3 SER B 19 28.229 22.097 7.567 1.00 15.24 H new ATOM 0 HG SER B 19 29.073 20.196 8.594 1.00 63.44 H new ATOM 1848 N ARG B 20 25.965 20.559 5.063 1.00 0.34 N ATOM 1849 CA ARG B 20 25.481 19.700 3.990 1.00 13.34 C ATOM 1850 C ARG B 20 25.808 18.237 4.274 1.00 61.45 C ATOM 1851 O ARG B 20 25.017 17.345 3.971 1.00 32.35 O ATOM 1852 CB ARG B 20 26.097 20.121 2.654 1.00 32.01 C ATOM 1853 CG ARG B 20 25.243 21.105 1.872 1.00 12.30 C ATOM 1854 CD ARG B 20 25.825 21.376 0.494 1.00 43.42 C ATOM 1855 NE ARG B 20 25.933 22.805 0.216 1.00 33.34 N ATOM 1856 CZ ARG B 20 26.857 23.591 0.759 1.00 13.22 C ATOM 1857 NH1 ARG B 20 27.747 23.089 1.603 1.00 45.34 N ATOM 1858 NH2 ARG B 20 26.891 24.883 0.457 1.00 44.43 N ATOM 0 H ARG B 20 26.541 21.341 4.750 1.00 0.34 H new ATOM 0 HA ARG B 20 24.398 19.808 3.934 1.00 13.34 H new ATOM 0 HB2 ARG B 20 27.074 20.568 2.839 1.00 32.01 H new ATOM 0 HB3 ARG B 20 26.263 19.233 2.044 1.00 32.01 H new ATOM 0 HG2 ARG B 20 24.232 20.710 1.770 1.00 12.30 H new ATOM 0 HG3 ARG B 20 25.165 22.041 2.426 1.00 12.30 H new ATOM 0 HD2 ARG B 20 26.811 20.917 0.421 1.00 43.42 H new ATOM 0 HD3 ARG B 20 25.197 20.906 -0.263 1.00 43.42 H new ATOM 0 HE ARG B 20 25.263 23.223 -0.430 1.00 33.34 H new ATOM 0 HH11 ARG B 20 27.724 22.097 1.838 1.00 45.34 H new ATOM 0 HH12 ARG B 20 28.455 23.695 2.018 1.00 45.34 H new ATOM 0 HH21 ARG B 20 26.208 25.273 -0.192 1.00 44.43 H new ATOM 0 HH22 ARG B 20 27.600 25.486 0.874 1.00 44.43 H new ATOM 1872 N GLN B 21 26.978 18.001 4.858 1.00 14.43 N ATOM 1873 CA GLN B 21 27.410 16.646 5.183 1.00 43.34 C ATOM 1874 C GLN B 21 26.465 16.001 6.191 1.00 62.14 C ATOM 1875 O GLN B 21 26.194 14.802 6.122 1.00 41.54 O ATOM 1876 CB GLN B 21 28.835 16.661 5.738 1.00 2.32 C ATOM 1877 CG GLN B 21 29.040 17.665 6.861 1.00 23.52 C ATOM 1878 CD GLN B 21 29.447 17.008 8.165 1.00 53.34 C ATOM 1879 OE1 GLN B 21 28.519 16.279 8.775 1.00 14.14 O flip ATOM 1880 NE2 GLN B 21 30.582 17.153 8.619 1.00 71.20 N flip ATOM 0 H GLN B 21 27.644 18.729 5.116 1.00 14.43 H new ATOM 0 HA GLN B 21 27.392 16.056 4.267 1.00 43.34 H new ATOM 0 HB2 GLN B 21 29.084 15.665 6.103 1.00 2.32 H new ATOM 0 HB3 GLN B 21 29.529 16.887 4.928 1.00 2.32 H new ATOM 0 HG2 GLN B 21 29.805 18.383 6.566 1.00 23.52 H new ATOM 0 HG3 GLN B 21 28.118 18.226 7.014 1.00 23.52 H new ATOM 0 HE21 GLN B 21 31.263 17.722 8.117 1.00 71.20 H new ATOM 0 HE22 GLN B 21 30.841 16.704 9.497 1.00 71.20 H new ATOM 1889 N GLN B 22 25.969 16.803 7.127 1.00 33.40 N ATOM 1890 CA GLN B 22 25.056 16.309 8.151 1.00 53.02 C ATOM 1891 C GLN B 22 23.776 15.767 7.523 1.00 53.44 C ATOM 1892 O GLN B 22 23.430 14.598 7.702 1.00 72.23 O ATOM 1893 CB GLN B 22 24.718 17.422 9.144 1.00 4.03 C ATOM 1894 CG GLN B 22 25.058 17.075 10.585 1.00 5.22 C ATOM 1895 CD GLN B 22 26.461 17.500 10.972 1.00 40.14 C ATOM 1896 OE1 GLN B 22 26.934 18.562 10.568 1.00 24.31 O ATOM 1897 NE2 GLN B 22 27.134 16.671 11.761 1.00 70.34 N ATOM 0 H GLN B 22 26.184 17.798 7.198 1.00 33.40 H new ATOM 0 HA GLN B 22 25.552 15.496 8.682 1.00 53.02 H new ATOM 0 HB2 GLN B 22 25.256 18.327 8.860 1.00 4.03 H new ATOM 0 HB3 GLN B 22 23.654 17.649 9.075 1.00 4.03 H new ATOM 0 HG2 GLN B 22 24.340 17.556 11.250 1.00 5.22 H new ATOM 0 HG3 GLN B 22 24.955 16.000 10.730 1.00 5.22 H new ATOM 0 HE21 GLN B 22 26.703 15.801 12.072 1.00 70.34 H new ATOM 0 HE22 GLN B 22 28.082 16.905 12.056 1.00 70.34 H new ATOM 1906 N LEU B 23 23.076 16.623 6.786 1.00 15.24 N ATOM 1907 CA LEU B 23 21.833 16.230 6.130 1.00 60.42 C ATOM 1908 C LEU B 23 22.087 15.146 5.088 1.00 74.31 C ATOM 1909 O LEU B 23 21.321 14.189 4.974 1.00 34.01 O ATOM 1910 CB LEU B 23 21.176 17.444 5.471 1.00 62.13 C ATOM 1911 CG LEU B 23 19.835 17.189 4.781 1.00 44.52 C ATOM 1912 CD1 LEU B 23 18.987 18.451 4.781 1.00 33.53 C ATOM 1913 CD2 LEU B 23 20.053 16.689 3.361 1.00 12.23 C ATOM 0 H LEU B 23 23.348 17.593 6.628 1.00 15.24 H new ATOM 0 HA LEU B 23 21.161 15.828 6.888 1.00 60.42 H new ATOM 0 HB2 LEU B 23 21.030 18.211 6.232 1.00 62.13 H new ATOM 0 HB3 LEU B 23 21.869 17.852 4.735 1.00 62.13 H new ATOM 0 HG LEU B 23 19.302 16.418 5.337 1.00 44.52 H new ATOM 0 HD11 LEU B 23 18.037 18.251 4.286 1.00 33.53 H new ATOM 0 HD12 LEU B 23 18.802 18.765 5.808 1.00 33.53 H new ATOM 0 HD13 LEU B 23 19.514 19.243 4.249 1.00 33.53 H new ATOM 0 HD21 LEU B 23 19.088 16.513 2.885 1.00 12.23 H new ATOM 0 HD22 LEU B 23 20.607 17.437 2.793 1.00 12.23 H new ATOM 0 HD23 LEU B 23 20.621 15.759 3.386 1.00 12.23 H new ATOM 1925 N ALA B 24 23.167 15.302 4.330 1.00 31.24 N ATOM 1926 CA ALA B 24 23.524 14.334 3.300 1.00 75.43 C ATOM 1927 C ALA B 24 23.579 12.921 3.870 1.00 63.14 C ATOM 1928 O ALA B 24 23.349 11.944 3.156 1.00 31.23 O ATOM 1929 CB ALA B 24 24.858 14.703 2.668 1.00 65.45 C ATOM 0 H ALA B 24 23.810 16.090 4.410 1.00 31.24 H new ATOM 0 HA ALA B 24 22.752 14.357 2.531 1.00 75.43 H new ATOM 0 HB1 ALA B 24 25.112 13.972 1.901 1.00 65.45 H new ATOM 0 HB2 ALA B 24 24.785 15.692 2.216 1.00 65.45 H new ATOM 0 HB3 ALA B 24 25.634 14.710 3.434 1.00 65.45 H new ATOM 1935 N ASP B 25 23.885 12.819 5.158 1.00 53.33 N ATOM 1936 CA ASP B 25 23.969 11.524 5.824 1.00 63.20 C ATOM 1937 C ASP B 25 22.643 11.166 6.487 1.00 41.34 C ATOM 1938 O ASP B 25 22.354 9.994 6.729 1.00 55.50 O ATOM 1939 CB ASP B 25 25.088 11.536 6.867 1.00 35.03 C ATOM 1940 CG ASP B 25 26.236 10.617 6.495 1.00 31.34 C ATOM 1941 OD1 ASP B 25 25.976 9.430 6.208 1.00 43.25 O ATOM 1942 OD2 ASP B 25 27.394 11.085 6.492 1.00 75.51 O ATOM 0 H ASP B 25 24.079 13.617 5.762 1.00 53.33 H new ATOM 0 HA ASP B 25 24.192 10.769 5.070 1.00 63.20 H new ATOM 0 HB2 ASP B 25 25.463 12.553 6.982 1.00 35.03 H new ATOM 0 HB3 ASP B 25 24.683 11.235 7.833 1.00 35.03 H new ATOM 1947 N LEU B 26 21.840 12.184 6.780 1.00 71.41 N ATOM 1948 CA LEU B 26 20.544 11.977 7.416 1.00 64.24 C ATOM 1949 C LEU B 26 19.500 11.535 6.395 1.00 43.13 C ATOM 1950 O LEU B 26 18.515 10.883 6.740 1.00 10.22 O ATOM 1951 CB LEU B 26 20.084 13.260 8.110 1.00 4.31 C ATOM 1952 CG LEU B 26 20.294 13.316 9.624 1.00 10.30 C ATOM 1953 CD1 LEU B 26 21.378 14.323 9.975 1.00 61.54 C ATOM 1954 CD2 LEU B 26 18.991 13.663 10.330 1.00 62.25 C ATOM 0 H LEU B 26 22.064 13.160 6.587 1.00 71.41 H new ATOM 0 HA LEU B 26 20.654 11.188 8.160 1.00 64.24 H new ATOM 0 HB2 LEU B 26 20.609 14.102 7.659 1.00 4.31 H new ATOM 0 HB3 LEU B 26 19.023 13.400 7.905 1.00 4.31 H new ATOM 0 HG LEU B 26 20.617 12.332 9.964 1.00 10.30 H new ATOM 0 HD11 LEU B 26 21.514 14.349 11.056 1.00 61.54 H new ATOM 0 HD12 LEU B 26 22.314 14.031 9.499 1.00 61.54 H new ATOM 0 HD13 LEU B 26 21.084 15.312 9.622 1.00 61.54 H new ATOM 0 HD21 LEU B 26 19.159 13.699 11.406 1.00 62.25 H new ATOM 0 HD22 LEU B 26 18.638 14.635 9.985 1.00 62.25 H new ATOM 0 HD23 LEU B 26 18.242 12.904 10.104 1.00 62.25 H new ATOM 1966 N THR B 27 19.725 11.894 5.134 1.00 72.41 N ATOM 1967 CA THR B 27 18.805 11.534 4.063 1.00 53.05 C ATOM 1968 C THR B 27 19.423 10.496 3.133 1.00 51.22 C ATOM 1969 O THR B 27 18.729 9.882 2.324 1.00 32.24 O ATOM 1970 CB THR B 27 18.396 12.768 3.236 1.00 52.21 C ATOM 1971 OG1 THR B 27 19.530 13.283 2.531 1.00 2.43 O ATOM 1972 CG2 THR B 27 17.814 13.851 4.132 1.00 64.34 C ATOM 0 H THR B 27 20.536 12.433 4.831 1.00 72.41 H new ATOM 0 HA THR B 27 17.918 11.112 4.536 1.00 53.05 H new ATOM 0 HB THR B 27 17.633 12.462 2.520 1.00 52.21 H new ATOM 0 HG1 THR B 27 20.192 13.613 3.173 1.00 2.43 H new ATOM 0 HG21 THR B 27 17.533 14.712 3.526 1.00 64.34 H new ATOM 0 HG22 THR B 27 16.933 13.465 4.645 1.00 64.34 H new ATOM 0 HG23 THR B 27 18.559 14.153 4.868 1.00 64.34 H new ATOM 1980 N GLY B 28 20.733 10.304 3.255 1.00 31.12 N ATOM 1981 CA GLY B 28 21.422 9.338 2.420 1.00 0.51 C ATOM 1982 C GLY B 28 21.956 9.954 1.142 1.00 21.43 C ATOM 1983 O GLY B 28 22.686 9.307 0.390 1.00 31.15 O ATOM 0 H GLY B 28 21.329 10.800 3.917 1.00 31.12 H new ATOM 0 HA2 GLY B 28 22.247 8.900 2.981 1.00 0.51 H new ATOM 0 HA3 GLY B 28 20.740 8.525 2.171 1.00 0.51 H new ATOM 1987 N VAL B 29 21.591 11.208 0.893 1.00 41.33 N ATOM 1988 CA VAL B 29 22.038 11.911 -0.304 1.00 64.40 C ATOM 1989 C VAL B 29 23.547 12.125 -0.284 1.00 1.32 C ATOM 1990 O VAL B 29 24.136 12.473 0.740 1.00 12.41 O ATOM 1991 CB VAL B 29 21.338 13.276 -0.446 1.00 61.44 C ATOM 1992 CG1 VAL B 29 22.265 14.284 -1.109 1.00 50.43 C ATOM 1993 CG2 VAL B 29 20.044 13.131 -1.232 1.00 55.14 C ATOM 0 H VAL B 29 20.987 11.758 1.504 1.00 41.33 H new ATOM 0 HA VAL B 29 21.775 11.285 -1.157 1.00 64.40 H new ATOM 0 HB VAL B 29 21.092 13.645 0.550 1.00 61.44 H new ATOM 0 HG11 VAL B 29 21.754 15.242 -1.201 1.00 50.43 H new ATOM 0 HG12 VAL B 29 23.162 14.408 -0.502 1.00 50.43 H new ATOM 0 HG13 VAL B 29 22.544 13.925 -2.100 1.00 50.43 H new ATOM 0 HG21 VAL B 29 19.562 14.105 -1.323 1.00 55.14 H new ATOM 0 HG22 VAL B 29 20.264 12.741 -2.226 1.00 55.14 H new ATOM 0 HG23 VAL B 29 19.377 12.444 -0.711 1.00 55.14 H new ATOM 2003 N PRO B 30 24.190 11.914 -1.442 1.00 64.31 N ATOM 2004 CA PRO B 30 25.639 12.079 -1.584 1.00 44.21 C ATOM 2005 C PRO B 30 26.067 13.540 -1.500 1.00 55.44 C ATOM 2006 O PRO B 30 25.507 14.401 -2.179 1.00 52.10 O ATOM 2007 CB PRO B 30 25.925 11.518 -2.980 1.00 72.05 C ATOM 2008 CG PRO B 30 24.642 11.675 -3.721 1.00 25.14 C ATOM 2009 CD PRO B 30 23.551 11.498 -2.702 1.00 2.43 C ATOM 0 HA PRO B 30 26.186 11.576 -0.787 1.00 44.21 H new ATOM 0 HB2 PRO B 30 26.733 12.063 -3.468 1.00 72.05 H new ATOM 0 HB3 PRO B 30 26.229 10.472 -2.932 1.00 72.05 H new ATOM 0 HG2 PRO B 30 24.581 12.656 -4.192 1.00 25.14 H new ATOM 0 HG3 PRO B 30 24.557 10.934 -4.516 1.00 25.14 H new ATOM 0 HD2 PRO B 30 22.681 12.113 -2.934 1.00 2.43 H new ATOM 0 HD3 PRO B 30 23.208 10.464 -2.656 1.00 2.43 H new ATOM 2017 N TYR B 31 27.063 13.813 -0.664 1.00 55.04 N ATOM 2018 CA TYR B 31 27.565 15.171 -0.490 1.00 73.24 C ATOM 2019 C TYR B 31 28.180 15.694 -1.784 1.00 50.10 C ATOM 2020 O TYR B 31 28.073 16.878 -2.102 1.00 14.12 O ATOM 2021 CB TYR B 31 28.601 15.214 0.634 1.00 71.51 C ATOM 2022 CG TYR B 31 29.103 16.606 0.942 1.00 71.30 C ATOM 2023 CD1 TYR B 31 30.162 17.157 0.231 1.00 4.21 C ATOM 2024 CD2 TYR B 31 28.520 17.371 1.945 1.00 11.35 C ATOM 2025 CE1 TYR B 31 30.625 18.429 0.509 1.00 23.24 C ATOM 2026 CE2 TYR B 31 28.975 18.644 2.229 1.00 75.30 C ATOM 2027 CZ TYR B 31 30.027 19.168 1.508 1.00 13.24 C ATOM 2028 OH TYR B 31 30.485 20.435 1.789 1.00 2.20 O ATOM 0 H TYR B 31 27.539 13.112 -0.096 1.00 55.04 H new ATOM 0 HA TYR B 31 26.724 15.811 -0.224 1.00 73.24 H new ATOM 0 HB2 TYR B 31 28.164 14.787 1.536 1.00 71.51 H new ATOM 0 HB3 TYR B 31 29.447 14.584 0.361 1.00 71.51 H new ATOM 0 HD1 TYR B 31 30.632 16.581 -0.553 1.00 4.21 H new ATOM 0 HD2 TYR B 31 27.697 16.963 2.512 1.00 11.35 H new ATOM 0 HE1 TYR B 31 31.450 18.842 -0.053 1.00 23.24 H new ATOM 0 HE2 TYR B 31 28.509 19.225 3.011 1.00 75.30 H new ATOM 0 HH TYR B 31 29.955 20.820 2.518 1.00 2.20 H new ATOM 2038 N GLY B 32 28.826 14.801 -2.529 1.00 45.13 N ATOM 2039 CA GLY B 32 29.449 15.190 -3.780 1.00 74.01 C ATOM 2040 C GLY B 32 28.483 15.890 -4.716 1.00 73.43 C ATOM 2041 O GLY B 32 28.875 16.773 -5.479 1.00 1.33 O ATOM 0 H GLY B 32 28.929 13.815 -2.288 1.00 45.13 H new ATOM 0 HA2 GLY B 32 30.292 15.850 -3.573 1.00 74.01 H new ATOM 0 HA3 GLY B 32 29.851 14.305 -4.273 1.00 74.01 H new ATOM 2045 N THR B 33 27.215 15.494 -4.659 1.00 10.04 N ATOM 2046 CA THR B 33 26.190 16.086 -5.510 1.00 11.04 C ATOM 2047 C THR B 33 25.382 17.132 -4.750 1.00 2.51 C ATOM 2048 O THR B 33 24.999 18.161 -5.308 1.00 23.25 O ATOM 2049 CB THR B 33 25.232 15.016 -6.064 1.00 3.23 C ATOM 2050 OG1 THR B 33 25.904 13.755 -6.153 1.00 14.15 O ATOM 2051 CG2 THR B 33 24.709 15.415 -7.436 1.00 42.22 C ATOM 0 H THR B 33 26.873 14.766 -4.032 1.00 10.04 H new ATOM 0 HA THR B 33 26.707 16.564 -6.342 1.00 11.04 H new ATOM 0 HB THR B 33 24.387 14.930 -5.381 1.00 3.23 H new ATOM 0 HG1 THR B 33 25.287 13.080 -6.505 1.00 14.15 H new ATOM 0 HG21 THR B 33 24.034 14.643 -7.807 1.00 42.22 H new ATOM 0 HG22 THR B 33 24.172 16.361 -7.360 1.00 42.22 H new ATOM 0 HG23 THR B 33 25.546 15.527 -8.126 1.00 42.22 H new ATOM 2059 N LEU B 34 25.126 16.862 -3.475 1.00 5.42 N ATOM 2060 CA LEU B 34 24.362 17.781 -2.637 1.00 11.23 C ATOM 2061 C LEU B 34 24.941 19.190 -2.707 1.00 53.41 C ATOM 2062 O LEU B 34 24.204 20.176 -2.704 1.00 25.43 O ATOM 2063 CB LEU B 34 24.353 17.293 -1.187 1.00 44.11 C ATOM 2064 CG LEU B 34 23.744 18.248 -0.161 1.00 20.43 C ATOM 2065 CD1 LEU B 34 22.227 18.249 -0.267 1.00 30.33 C ATOM 2066 CD2 LEU B 34 24.181 17.869 1.246 1.00 54.42 C ATOM 0 H LEU B 34 25.436 16.015 -2.999 1.00 5.42 H new ATOM 0 HA LEU B 34 23.339 17.809 -3.011 1.00 11.23 H new ATOM 0 HB2 LEU B 34 23.807 16.351 -1.145 1.00 44.11 H new ATOM 0 HB3 LEU B 34 25.380 17.080 -0.890 1.00 44.11 H new ATOM 0 HG LEU B 34 24.104 19.255 -0.373 1.00 20.43 H new ATOM 0 HD11 LEU B 34 21.811 18.935 0.471 1.00 30.33 H new ATOM 0 HD12 LEU B 34 21.932 18.569 -1.266 1.00 30.33 H new ATOM 0 HD13 LEU B 34 21.849 17.244 -0.082 1.00 30.33 H new ATOM 0 HD21 LEU B 34 23.738 18.560 1.963 1.00 54.42 H new ATOM 0 HD22 LEU B 34 23.851 16.854 1.468 1.00 54.42 H new ATOM 0 HD23 LEU B 34 25.268 17.921 1.316 1.00 54.42 H new ATOM 2078 N SER B 35 26.266 19.278 -2.773 1.00 61.31 N ATOM 2079 CA SER B 35 26.944 20.567 -2.842 1.00 34.14 C ATOM 2080 C SER B 35 26.354 21.432 -3.952 1.00 4.52 C ATOM 2081 O SER B 35 26.195 22.643 -3.792 1.00 30.41 O ATOM 2082 CB SER B 35 28.442 20.367 -3.078 1.00 14.21 C ATOM 2083 OG SER B 35 28.999 21.465 -3.779 1.00 62.41 O ATOM 0 H SER B 35 26.891 18.472 -2.780 1.00 61.31 H new ATOM 0 HA SER B 35 26.798 21.078 -1.890 1.00 34.14 H new ATOM 0 HB2 SER B 35 28.951 20.246 -2.122 1.00 14.21 H new ATOM 0 HB3 SER B 35 28.605 19.450 -3.644 1.00 14.21 H new ATOM 0 HG SER B 35 29.957 21.313 -3.916 1.00 62.41 H new ATOM 2089 N TYR B 36 26.032 20.802 -5.076 1.00 41.34 N ATOM 2090 CA TYR B 36 25.462 21.514 -6.214 1.00 34.30 C ATOM 2091 C TYR B 36 23.956 21.692 -6.046 1.00 45.21 C ATOM 2092 O TYR B 36 23.370 22.641 -6.568 1.00 45.01 O ATOM 2093 CB TYR B 36 25.755 20.760 -7.512 1.00 40.31 C ATOM 2094 CG TYR B 36 27.210 20.805 -7.923 1.00 34.30 C ATOM 2095 CD1 TYR B 36 27.934 21.989 -7.856 1.00 32.43 C ATOM 2096 CD2 TYR B 36 27.859 19.665 -8.380 1.00 45.14 C ATOM 2097 CE1 TYR B 36 29.263 22.035 -8.231 1.00 62.53 C ATOM 2098 CE2 TYR B 36 29.188 19.701 -8.755 1.00 64.54 C ATOM 2099 CZ TYR B 36 29.885 20.889 -8.679 1.00 62.20 C ATOM 2100 OH TYR B 36 31.209 20.930 -9.054 1.00 51.03 O ATOM 0 H TYR B 36 26.156 19.800 -5.224 1.00 41.34 H new ATOM 0 HA TYR B 36 25.924 22.500 -6.262 1.00 34.30 H new ATOM 0 HB2 TYR B 36 25.451 19.720 -7.395 1.00 40.31 H new ATOM 0 HB3 TYR B 36 25.147 21.181 -8.312 1.00 40.31 H new ATOM 0 HD1 TYR B 36 27.450 22.888 -7.505 1.00 32.43 H new ATOM 0 HD2 TYR B 36 27.315 18.734 -8.443 1.00 45.14 H new ATOM 0 HE1 TYR B 36 29.812 22.964 -8.174 1.00 62.53 H new ATOM 0 HE2 TYR B 36 29.678 18.805 -9.105 1.00 64.54 H new ATOM 0 HH TYR B 36 31.495 20.038 -9.344 1.00 51.03 H new ATOM 2110 N TYR B 37 23.336 20.775 -5.312 1.00 23.03 N ATOM 2111 CA TYR B 37 21.899 20.828 -5.075 1.00 71.53 C ATOM 2112 C TYR B 37 21.512 22.121 -4.363 1.00 1.34 C ATOM 2113 O TYR B 37 20.880 23.000 -4.949 1.00 12.02 O ATOM 2114 CB TYR B 37 21.452 19.623 -4.247 1.00 44.25 C ATOM 2115 CG TYR B 37 21.146 18.397 -5.078 1.00 22.43 C ATOM 2116 CD1 TYR B 37 21.827 18.149 -6.263 1.00 52.14 C ATOM 2117 CD2 TYR B 37 20.175 17.487 -4.677 1.00 15.42 C ATOM 2118 CE1 TYR B 37 21.550 17.030 -7.025 1.00 2.53 C ATOM 2119 CE2 TYR B 37 19.892 16.365 -5.432 1.00 0.41 C ATOM 2120 CZ TYR B 37 20.582 16.142 -6.606 1.00 71.12 C ATOM 2121 OH TYR B 37 20.304 15.026 -7.362 1.00 2.50 O ATOM 0 H TYR B 37 23.807 19.985 -4.871 1.00 23.03 H new ATOM 0 HA TYR B 37 21.396 20.802 -6.042 1.00 71.53 H new ATOM 0 HB2 TYR B 37 22.233 19.378 -3.527 1.00 44.25 H new ATOM 0 HB3 TYR B 37 20.565 19.895 -3.675 1.00 44.25 H new ATOM 0 HD1 TYR B 37 22.586 18.842 -6.594 1.00 52.14 H new ATOM 0 HD2 TYR B 37 19.632 17.660 -3.759 1.00 15.42 H new ATOM 0 HE1 TYR B 37 22.089 16.852 -7.944 1.00 2.53 H new ATOM 0 HE2 TYR B 37 19.135 15.667 -5.105 1.00 0.41 H new ATOM 0 HH TYR B 37 19.598 14.504 -6.927 1.00 2.50 H new ATOM 2131 N GLU B 38 21.896 22.228 -3.095 1.00 43.22 N ATOM 2132 CA GLU B 38 21.590 23.413 -2.302 1.00 44.31 C ATOM 2133 C GLU B 38 22.198 24.662 -2.933 1.00 24.45 C ATOM 2134 O GLU B 38 21.764 25.781 -2.661 1.00 42.22 O ATOM 2135 CB GLU B 38 22.110 23.245 -0.873 1.00 11.21 C ATOM 2136 CG GLU B 38 21.794 21.889 -0.265 1.00 54.50 C ATOM 2137 CD GLU B 38 22.062 21.841 1.227 1.00 35.11 C ATOM 2138 OE1 GLU B 38 22.796 22.721 1.725 1.00 63.32 O ATOM 2139 OE2 GLU B 38 21.540 20.925 1.895 1.00 70.20 O ATOM 0 H GLU B 38 22.419 21.509 -2.595 1.00 43.22 H new ATOM 0 HA GLU B 38 20.507 23.532 -2.275 1.00 44.31 H new ATOM 0 HB2 GLU B 38 23.190 23.393 -0.869 1.00 11.21 H new ATOM 0 HB3 GLU B 38 21.679 24.025 -0.245 1.00 11.21 H new ATOM 0 HG2 GLU B 38 20.747 21.647 -0.450 1.00 54.50 H new ATOM 0 HG3 GLU B 38 22.391 21.124 -0.762 1.00 54.50 H new ATOM 2146 N SER B 39 23.205 24.461 -3.777 1.00 53.34 N ATOM 2147 CA SER B 39 23.876 25.571 -4.444 1.00 70.11 C ATOM 2148 C SER B 39 23.045 26.083 -5.616 1.00 24.54 C ATOM 2149 O SER B 39 23.220 27.213 -6.069 1.00 41.42 O ATOM 2150 CB SER B 39 25.259 25.138 -4.935 1.00 1.22 C ATOM 2151 OG SER B 39 26.222 25.241 -3.901 1.00 11.15 O ATOM 0 H SER B 39 23.574 23.540 -4.015 1.00 53.34 H new ATOM 0 HA SER B 39 23.991 26.380 -3.722 1.00 70.11 H new ATOM 0 HB2 SER B 39 25.215 24.110 -5.295 1.00 1.22 H new ATOM 0 HB3 SER B 39 25.559 25.759 -5.779 1.00 1.22 H new ATOM 0 HG SER B 39 26.535 24.345 -3.655 1.00 11.15 H new ATOM 2157 N GLY B 40 22.139 25.240 -6.104 1.00 41.23 N ATOM 2158 CA GLY B 40 21.294 25.624 -7.220 1.00 73.32 C ATOM 2159 C GLY B 40 21.962 25.392 -8.560 1.00 71.50 C ATOM 2160 O GLY B 40 21.455 25.820 -9.597 1.00 64.32 O ATOM 0 H GLY B 40 21.975 24.299 -5.746 1.00 41.23 H new ATOM 0 HA2 GLY B 40 20.363 25.058 -7.179 1.00 73.32 H new ATOM 0 HA3 GLY B 40 21.031 26.678 -7.126 1.00 73.32 H new ATOM 2164 N ARG B 41 23.104 24.712 -8.540 1.00 73.33 N ATOM 2165 CA ARG B 41 23.844 24.426 -9.763 1.00 73.31 C ATOM 2166 C ARG B 41 22.942 23.768 -10.803 1.00 30.24 C ATOM 2167 O ARG B 41 23.027 24.069 -11.994 1.00 23.15 O ATOM 2168 CB ARG B 41 25.039 23.519 -9.461 1.00 2.45 C ATOM 2169 CG ARG B 41 26.311 23.927 -10.186 1.00 71.20 C ATOM 2170 CD ARG B 41 26.940 25.160 -9.557 1.00 3.45 C ATOM 2171 NE ARG B 41 27.990 25.729 -10.398 1.00 73.34 N ATOM 2172 CZ ARG B 41 28.905 26.582 -9.954 1.00 44.45 C ATOM 2173 NH1 ARG B 41 28.901 26.964 -8.685 1.00 73.10 N ATOM 2174 NH2 ARG B 41 29.829 27.056 -10.781 1.00 72.43 N ATOM 0 H ARG B 41 23.537 24.349 -7.691 1.00 73.33 H new ATOM 0 HA ARG B 41 24.207 25.371 -10.168 1.00 73.31 H new ATOM 0 HB2 ARG B 41 25.226 23.523 -8.387 1.00 2.45 H new ATOM 0 HB3 ARG B 41 24.786 22.495 -9.736 1.00 2.45 H new ATOM 0 HG2 ARG B 41 27.024 23.103 -10.164 1.00 71.20 H new ATOM 0 HG3 ARG B 41 26.086 24.126 -11.234 1.00 71.20 H new ATOM 0 HD2 ARG B 41 26.169 25.911 -9.382 1.00 3.45 H new ATOM 0 HD3 ARG B 41 27.357 24.898 -8.584 1.00 3.45 H new ATOM 0 HE ARG B 41 28.022 25.456 -11.380 1.00 73.34 H new ATOM 0 HH11 ARG B 41 28.193 26.602 -8.046 1.00 73.10 H new ATOM 0 HH12 ARG B 41 29.606 27.620 -8.348 1.00 73.10 H new ATOM 0 HH21 ARG B 41 29.836 26.765 -11.759 1.00 72.43 H new ATOM 0 HH22 ARG B 41 30.532 27.711 -10.439 1.00 72.43 H new ATOM 2188 N SER B 42 22.079 22.866 -10.345 1.00 53.33 N ATOM 2189 CA SER B 42 21.165 22.162 -11.236 1.00 23.23 C ATOM 2190 C SER B 42 19.930 21.683 -10.478 1.00 3.44 C ATOM 2191 O SER B 42 20.038 21.010 -9.453 1.00 55.33 O ATOM 2192 CB SER B 42 21.870 20.972 -11.888 1.00 33.02 C ATOM 2193 OG SER B 42 20.939 19.974 -12.270 1.00 14.24 O ATOM 0 H SER B 42 21.994 22.606 -9.362 1.00 53.33 H new ATOM 0 HA SER B 42 20.847 22.857 -12.013 1.00 23.23 H new ATOM 0 HB2 SER B 42 22.426 21.309 -12.763 1.00 33.02 H new ATOM 0 HB3 SER B 42 22.596 20.550 -11.193 1.00 33.02 H new ATOM 0 HG SER B 42 21.415 19.225 -12.686 1.00 14.24 H new ATOM 2199 N THR B 43 18.755 22.035 -10.991 1.00 54.02 N ATOM 2200 CA THR B 43 17.499 21.644 -10.364 1.00 44.13 C ATOM 2201 C THR B 43 17.459 20.142 -10.104 1.00 62.42 C ATOM 2202 O THR B 43 17.443 19.328 -11.028 1.00 42.45 O ATOM 2203 CB THR B 43 16.290 22.035 -11.235 1.00 15.34 C ATOM 2204 OG1 THR B 43 16.729 22.781 -12.376 1.00 15.25 O ATOM 2205 CG2 THR B 43 15.292 22.860 -10.437 1.00 51.13 C ATOM 0 H THR B 43 18.647 22.591 -11.840 1.00 54.02 H new ATOM 0 HA THR B 43 17.440 22.177 -9.415 1.00 44.13 H new ATOM 0 HB THR B 43 15.798 21.120 -11.566 1.00 15.34 H new ATOM 0 HG1 THR B 43 15.955 23.024 -12.925 1.00 15.25 H new ATOM 0 HG21 THR B 43 14.447 23.124 -11.073 1.00 51.13 H new ATOM 0 HG22 THR B 43 14.938 22.279 -9.586 1.00 51.13 H new ATOM 0 HG23 THR B 43 15.775 23.769 -10.079 1.00 51.13 H new ATOM 2213 N PRO B 44 17.442 19.764 -8.817 1.00 34.10 N ATOM 2214 CA PRO B 44 17.402 18.357 -8.406 1.00 64.22 C ATOM 2215 C PRO B 44 16.062 17.699 -8.720 1.00 65.12 C ATOM 2216 O PRO B 44 15.075 18.365 -9.035 1.00 43.23 O ATOM 2217 CB PRO B 44 17.624 18.424 -6.893 1.00 42.35 C ATOM 2218 CG PRO B 44 17.151 19.780 -6.500 1.00 43.14 C ATOM 2219 CD PRO B 44 17.459 20.680 -7.665 1.00 4.14 C ATOM 0 HA PRO B 44 18.143 17.757 -8.933 1.00 64.22 H new ATOM 0 HB2 PRO B 44 17.064 17.644 -6.376 1.00 42.35 H new ATOM 0 HB3 PRO B 44 18.675 18.283 -6.641 1.00 42.35 H new ATOM 0 HG2 PRO B 44 16.083 19.773 -6.284 1.00 43.14 H new ATOM 0 HG3 PRO B 44 17.657 20.123 -5.597 1.00 43.14 H new ATOM 0 HD2 PRO B 44 16.716 21.471 -7.769 1.00 4.14 H new ATOM 0 HD3 PRO B 44 18.428 21.166 -7.552 1.00 4.14 H new ATOM 2227 N PRO B 45 16.024 16.362 -8.631 1.00 22.42 N ATOM 2228 CA PRO B 45 14.811 15.585 -8.901 1.00 43.51 C ATOM 2229 C PRO B 45 13.745 15.784 -7.829 1.00 62.05 C ATOM 2230 O PRO B 45 13.942 16.536 -6.873 1.00 14.40 O ATOM 2231 CB PRO B 45 15.308 14.137 -8.898 1.00 65.34 C ATOM 2232 CG PRO B 45 16.529 14.158 -8.045 1.00 42.52 C ATOM 2233 CD PRO B 45 17.163 15.504 -8.261 1.00 44.51 C ATOM 0 HA PRO B 45 14.335 15.884 -9.835 1.00 43.51 H new ATOM 0 HB2 PRO B 45 14.555 13.461 -8.494 1.00 65.34 H new ATOM 0 HB3 PRO B 45 15.536 13.794 -9.907 1.00 65.34 H new ATOM 0 HG2 PRO B 45 16.274 14.011 -6.995 1.00 42.52 H new ATOM 0 HG3 PRO B 45 17.213 13.356 -8.323 1.00 42.52 H new ATOM 0 HD2 PRO B 45 17.661 15.863 -7.360 1.00 44.51 H new ATOM 0 HD3 PRO B 45 17.915 15.472 -9.049 1.00 44.51 H new ATOM 2241 N THR B 46 12.613 15.105 -7.992 1.00 11.44 N ATOM 2242 CA THR B 46 11.516 15.208 -7.038 1.00 63.42 C ATOM 2243 C THR B 46 11.585 14.096 -5.998 1.00 5.13 C ATOM 2244 O THR B 46 11.051 14.229 -4.897 1.00 4.01 O ATOM 2245 CB THR B 46 10.149 15.149 -7.746 1.00 52.33 C ATOM 2246 OG1 THR B 46 10.063 16.184 -8.732 1.00 33.31 O ATOM 2247 CG2 THR B 46 9.014 15.299 -6.745 1.00 3.02 C ATOM 0 H THR B 46 12.433 14.478 -8.776 1.00 11.44 H new ATOM 0 HA THR B 46 11.619 16.173 -6.541 1.00 63.42 H new ATOM 0 HB THR B 46 10.058 14.177 -8.231 1.00 52.33 H new ATOM 0 HG1 THR B 46 9.143 16.242 -9.066 1.00 33.31 H new ATOM 0 HG21 THR B 46 8.059 15.254 -7.268 1.00 3.02 H new ATOM 0 HG22 THR B 46 9.065 14.493 -6.013 1.00 3.02 H new ATOM 0 HG23 THR B 46 9.103 16.258 -6.235 1.00 3.02 H new ATOM 2255 N ASP B 47 12.247 13.000 -6.353 1.00 1.43 N ATOM 2256 CA ASP B 47 12.388 11.865 -5.449 1.00 54.30 C ATOM 2257 C ASP B 47 13.385 12.176 -4.337 1.00 63.03 C ATOM 2258 O ASP B 47 13.253 11.687 -3.215 1.00 32.00 O ATOM 2259 CB ASP B 47 12.837 10.624 -6.221 1.00 61.00 C ATOM 2260 CG ASP B 47 12.218 9.350 -5.681 1.00 74.43 C ATOM 2261 OD1 ASP B 47 11.818 9.341 -4.498 1.00 53.32 O ATOM 2262 OD2 ASP B 47 12.133 8.362 -6.441 1.00 4.34 O ATOM 0 H ASP B 47 12.694 12.874 -7.261 1.00 1.43 H new ATOM 0 HA ASP B 47 11.416 11.670 -4.996 1.00 54.30 H new ATOM 0 HB2 ASP B 47 12.570 10.737 -7.272 1.00 61.00 H new ATOM 0 HB3 ASP B 47 13.923 10.544 -6.175 1.00 61.00 H new ATOM 2267 N VAL B 48 14.385 12.992 -4.657 1.00 74.22 N ATOM 2268 CA VAL B 48 15.405 13.369 -3.686 1.00 22.51 C ATOM 2269 C VAL B 48 14.973 14.589 -2.880 1.00 4.50 C ATOM 2270 O VAL B 48 15.089 14.610 -1.655 1.00 11.21 O ATOM 2271 CB VAL B 48 16.750 13.671 -4.373 1.00 0.11 C ATOM 2272 CG1 VAL B 48 17.779 14.132 -3.352 1.00 24.23 C ATOM 2273 CG2 VAL B 48 17.247 12.449 -5.130 1.00 54.21 C ATOM 0 H VAL B 48 14.510 13.404 -5.581 1.00 74.22 H new ATOM 0 HA VAL B 48 15.531 12.520 -3.014 1.00 22.51 H new ATOM 0 HB VAL B 48 16.599 14.478 -5.091 1.00 0.11 H new ATOM 0 HG11 VAL B 48 18.723 14.341 -3.856 1.00 24.23 H new ATOM 0 HG12 VAL B 48 17.423 15.037 -2.859 1.00 24.23 H new ATOM 0 HG13 VAL B 48 17.930 13.349 -2.608 1.00 24.23 H new ATOM 0 HG21 VAL B 48 18.198 12.680 -5.609 1.00 54.21 H new ATOM 0 HG22 VAL B 48 17.383 11.621 -4.435 1.00 54.21 H new ATOM 0 HG23 VAL B 48 16.517 12.169 -5.889 1.00 54.21 H new ATOM 2283 N MET B 49 14.473 15.604 -3.577 1.00 33.43 N ATOM 2284 CA MET B 49 14.021 16.829 -2.926 1.00 40.22 C ATOM 2285 C MET B 49 13.103 16.512 -1.749 1.00 4.22 C ATOM 2286 O MET B 49 13.266 17.058 -0.658 1.00 1.31 O ATOM 2287 CB MET B 49 13.294 17.726 -3.928 1.00 44.14 C ATOM 2288 CG MET B 49 12.684 18.969 -3.300 1.00 51.34 C ATOM 2289 SD MET B 49 10.917 19.117 -3.627 1.00 51.12 S ATOM 2290 CE MET B 49 10.252 17.975 -2.417 1.00 51.15 C ATOM 0 H MET B 49 14.370 15.603 -4.592 1.00 33.43 H new ATOM 0 HA MET B 49 14.898 17.355 -2.549 1.00 40.22 H new ATOM 0 HB2 MET B 49 13.994 18.029 -4.707 1.00 44.14 H new ATOM 0 HB3 MET B 49 12.506 17.150 -4.414 1.00 44.14 H new ATOM 0 HG2 MET B 49 12.849 18.946 -2.223 1.00 51.34 H new ATOM 0 HG3 MET B 49 13.195 19.853 -3.682 1.00 51.34 H new ATOM 0 HE1 MET B 49 9.234 18.268 -2.161 1.00 51.15 H new ATOM 0 HE2 MET B 49 10.246 16.967 -2.832 1.00 51.15 H new ATOM 0 HE3 MET B 49 10.871 17.994 -1.520 1.00 51.15 H new ATOM 2300 N MET B 50 12.138 15.627 -1.979 1.00 73.41 N ATOM 2301 CA MET B 50 11.195 15.238 -0.937 1.00 53.21 C ATOM 2302 C MET B 50 11.892 14.429 0.152 1.00 3.12 C ATOM 2303 O MET B 50 11.493 14.463 1.315 1.00 20.05 O ATOM 2304 CB MET B 50 10.047 14.425 -1.537 1.00 34.20 C ATOM 2305 CG MET B 50 10.463 13.040 -2.007 1.00 34.23 C ATOM 2306 SD MET B 50 9.296 12.325 -3.180 1.00 14.43 S ATOM 2307 CE MET B 50 7.737 12.847 -2.468 1.00 65.11 C ATOM 0 H MET B 50 11.989 15.166 -2.877 1.00 73.41 H new ATOM 0 HA MET B 50 10.792 16.146 -0.488 1.00 53.21 H new ATOM 0 HB2 MET B 50 9.256 14.325 -0.794 1.00 34.20 H new ATOM 0 HB3 MET B 50 9.625 14.974 -2.379 1.00 34.20 H new ATOM 0 HG2 MET B 50 11.448 13.098 -2.470 1.00 34.23 H new ATOM 0 HG3 MET B 50 10.555 12.380 -1.144 1.00 34.23 H new ATOM 0 HE1 MET B 50 6.922 12.286 -2.925 1.00 65.11 H new ATOM 0 HE2 MET B 50 7.747 12.662 -1.394 1.00 65.11 H new ATOM 0 HE3 MET B 50 7.592 13.912 -2.651 1.00 65.11 H new ATOM 2317 N ASN B 51 12.935 13.701 -0.233 1.00 10.42 N ATOM 2318 CA ASN B 51 13.687 12.882 0.711 1.00 73.03 C ATOM 2319 C ASN B 51 14.435 13.756 1.714 1.00 51.31 C ATOM 2320 O ASN B 51 14.923 13.269 2.734 1.00 61.22 O ATOM 2321 CB ASN B 51 14.675 11.983 -0.035 1.00 41.34 C ATOM 2322 CG ASN B 51 14.135 10.582 -0.247 1.00 53.40 C ATOM 2323 OD1 ASN B 51 14.823 9.594 0.010 1.00 40.12 O ATOM 2324 ND2 ASN B 51 12.897 10.490 -0.717 1.00 25.24 N ATOM 0 H ASN B 51 13.279 13.661 -1.192 1.00 10.42 H new ATOM 0 HA ASN B 51 12.979 12.258 1.256 1.00 73.03 H new ATOM 0 HB2 ASN B 51 14.910 12.429 -1.001 1.00 41.34 H new ATOM 0 HB3 ASN B 51 15.608 11.929 0.526 1.00 41.34 H new ATOM 0 HD21 ASN B 51 12.480 9.573 -0.879 1.00 25.24 H new ATOM 0 HD22 ASN B 51 12.363 11.336 -0.916 1.00 25.24 H new ATOM 2331 N ILE B 52 14.519 15.049 1.416 1.00 15.14 N ATOM 2332 CA ILE B 52 15.206 15.990 2.292 1.00 71.33 C ATOM 2333 C ILE B 52 14.226 16.672 3.242 1.00 63.34 C ATOM 2334 O ILE B 52 14.548 16.931 4.402 1.00 22.32 O ATOM 2335 CB ILE B 52 15.954 17.067 1.484 1.00 0.12 C ATOM 2336 CG1 ILE B 52 16.804 16.417 0.391 1.00 22.15 C ATOM 2337 CG2 ILE B 52 16.822 17.912 2.405 1.00 64.33 C ATOM 2338 CD1 ILE B 52 17.493 15.146 0.837 1.00 3.43 C ATOM 0 H ILE B 52 14.120 15.468 0.576 1.00 15.14 H new ATOM 0 HA ILE B 52 15.928 15.414 2.871 1.00 71.33 H new ATOM 0 HB ILE B 52 15.221 17.718 1.009 1.00 0.12 H new ATOM 0 HG12 ILE B 52 16.170 16.195 -0.467 1.00 22.15 H new ATOM 0 HG13 ILE B 52 17.557 17.130 0.055 1.00 22.15 H new ATOM 0 HG21 ILE B 52 17.344 18.669 1.820 1.00 64.33 H new ATOM 0 HG22 ILE B 52 16.194 18.400 3.151 1.00 64.33 H new ATOM 0 HG23 ILE B 52 17.550 17.274 2.905 1.00 64.33 H new ATOM 0 HD11 ILE B 52 18.078 14.740 0.011 1.00 3.43 H new ATOM 0 HD12 ILE B 52 18.153 15.365 1.676 1.00 3.43 H new ATOM 0 HD13 ILE B 52 16.745 14.416 1.145 1.00 3.43 H new ATOM 2350 N LEU B 53 13.029 16.958 2.742 1.00 63.51 N ATOM 2351 CA LEU B 53 12.000 17.608 3.547 1.00 30.02 C ATOM 2352 C LEU B 53 11.227 16.585 4.373 1.00 3.01 C ATOM 2353 O LEU B 53 10.724 16.897 5.452 1.00 32.54 O ATOM 2354 CB LEU B 53 11.037 18.386 2.648 1.00 71.32 C ATOM 2355 CG LEU B 53 11.160 19.909 2.692 1.00 24.34 C ATOM 2356 CD1 LEU B 53 12.617 20.331 2.572 1.00 64.42 C ATOM 2357 CD2 LEU B 53 10.326 20.544 1.589 1.00 70.41 C ATOM 0 H LEU B 53 12.747 16.750 1.784 1.00 63.51 H new ATOM 0 HA LEU B 53 12.492 18.301 4.229 1.00 30.02 H new ATOM 0 HB2 LEU B 53 11.188 18.059 1.619 1.00 71.32 H new ATOM 0 HB3 LEU B 53 10.017 18.116 2.922 1.00 71.32 H new ATOM 0 HG LEU B 53 10.780 20.257 3.653 1.00 24.34 H new ATOM 0 HD11 LEU B 53 12.685 21.418 2.605 1.00 64.42 H new ATOM 0 HD12 LEU B 53 13.188 19.906 3.398 1.00 64.42 H new ATOM 0 HD13 LEU B 53 13.023 19.971 1.627 1.00 64.42 H new ATOM 0 HD21 LEU B 53 10.426 21.628 1.636 1.00 70.41 H new ATOM 0 HD22 LEU B 53 10.675 20.189 0.619 1.00 70.41 H new ATOM 0 HD23 LEU B 53 9.279 20.270 1.721 1.00 70.41 H new ATOM 2369 N GLN B 54 11.140 15.362 3.860 1.00 45.30 N ATOM 2370 CA GLN B 54 10.430 14.292 4.552 1.00 4.44 C ATOM 2371 C GLN B 54 11.016 14.060 5.941 1.00 73.55 C ATOM 2372 O GLN B 54 10.347 13.530 6.828 1.00 22.03 O ATOM 2373 CB GLN B 54 10.492 13.000 3.736 1.00 31.43 C ATOM 2374 CG GLN B 54 11.877 12.373 3.692 1.00 54.24 C ATOM 2375 CD GLN B 54 11.870 10.985 3.085 1.00 53.44 C ATOM 2376 OE1 GLN B 54 12.505 10.065 3.602 1.00 62.11 O ATOM 2377 NE2 GLN B 54 11.150 10.825 1.980 1.00 32.34 N ATOM 0 H GLN B 54 11.552 15.087 2.968 1.00 45.30 H new ATOM 0 HA GLN B 54 9.388 14.593 4.663 1.00 4.44 H new ATOM 0 HB2 GLN B 54 9.790 12.280 4.157 1.00 31.43 H new ATOM 0 HB3 GLN B 54 10.164 13.207 2.717 1.00 31.43 H new ATOM 0 HG2 GLN B 54 12.544 13.014 3.115 1.00 54.24 H new ATOM 0 HG3 GLN B 54 12.280 12.321 4.703 1.00 54.24 H new ATOM 0 HE21 GLN B 54 10.639 11.615 1.585 1.00 32.34 H new ATOM 0 HE22 GLN B 54 11.108 9.912 1.526 1.00 32.34 H new ATOM 2386 N THR B 55 12.271 14.460 6.123 1.00 55.12 N ATOM 2387 CA THR B 55 12.947 14.293 7.403 1.00 13.51 C ATOM 2388 C THR B 55 12.129 14.894 8.540 1.00 42.11 C ATOM 2389 O THR B 55 11.355 15.833 8.351 1.00 72.25 O ATOM 2390 CB THR B 55 14.343 14.946 7.390 1.00 53.41 C ATOM 2391 OG1 THR B 55 14.219 16.362 7.220 1.00 50.54 O ATOM 2392 CG2 THR B 55 15.199 14.369 6.273 1.00 63.21 C ATOM 0 H THR B 55 12.839 14.902 5.400 1.00 55.12 H new ATOM 0 HA THR B 55 13.056 13.221 7.565 1.00 13.51 H new ATOM 0 HB THR B 55 14.828 14.736 8.343 1.00 53.41 H new ATOM 0 HG1 THR B 55 14.343 16.590 6.275 1.00 50.54 H new ATOM 0 HG21 THR B 55 16.180 14.845 6.283 1.00 63.21 H new ATOM 0 HG22 THR B 55 15.315 13.295 6.421 1.00 63.21 H new ATOM 0 HG23 THR B 55 14.717 14.553 5.313 1.00 63.21 H new ATOM 2400 N PRO B 56 12.302 14.343 9.750 1.00 31.25 N ATOM 2401 CA PRO B 56 11.588 14.810 10.942 1.00 41.22 C ATOM 2402 C PRO B 56 12.056 16.189 11.395 1.00 3.50 C ATOM 2403 O PRO B 56 11.302 16.936 12.018 1.00 61.54 O ATOM 2404 CB PRO B 56 11.931 13.756 11.997 1.00 43.23 C ATOM 2405 CG PRO B 56 13.232 13.183 11.552 1.00 22.11 C ATOM 2406 CD PRO B 56 13.208 13.222 10.049 1.00 60.25 C ATOM 0 HA PRO B 56 10.519 14.918 10.760 1.00 41.22 H new ATOM 0 HB2 PRO B 56 12.013 14.201 12.989 1.00 43.23 H new ATOM 0 HB3 PRO B 56 11.159 12.988 12.055 1.00 43.23 H new ATOM 0 HG2 PRO B 56 14.068 13.762 11.944 1.00 22.11 H new ATOM 0 HG3 PRO B 56 13.353 12.162 11.914 1.00 22.11 H new ATOM 0 HD2 PRO B 56 14.203 13.388 9.636 1.00 60.25 H new ATOM 0 HD3 PRO B 56 12.841 12.286 9.629 1.00 60.25 H new ATOM 2414 N GLN B 57 13.303 16.519 11.077 1.00 42.31 N ATOM 2415 CA GLN B 57 13.871 17.809 11.452 1.00 55.32 C ATOM 2416 C GLN B 57 13.377 18.912 10.522 1.00 1.51 C ATOM 2417 O GLN B 57 13.187 20.054 10.942 1.00 23.51 O ATOM 2418 CB GLN B 57 15.399 17.746 11.422 1.00 61.00 C ATOM 2419 CG GLN B 57 15.978 17.680 10.018 1.00 72.54 C ATOM 2420 CD GLN B 57 17.253 16.863 9.950 1.00 74.05 C ATOM 2421 OE1 GLN B 57 17.814 16.481 10.977 1.00 63.42 O ATOM 2422 NE2 GLN B 57 17.718 16.591 8.736 1.00 41.13 N ATOM 0 H GLN B 57 13.939 15.912 10.561 1.00 42.31 H new ATOM 0 HA GLN B 57 13.544 18.040 12.466 1.00 55.32 H new ATOM 0 HB2 GLN B 57 15.800 18.622 11.931 1.00 61.00 H new ATOM 0 HB3 GLN B 57 15.729 16.872 11.984 1.00 61.00 H new ATOM 0 HG2 GLN B 57 15.238 17.248 9.344 1.00 72.54 H new ATOM 0 HG3 GLN B 57 16.180 18.691 9.664 1.00 72.54 H new ATOM 0 HE21 GLN B 57 17.220 16.928 7.912 1.00 41.13 H new ATOM 0 HE22 GLN B 57 18.573 16.045 8.628 1.00 41.13 H new ATOM 2431 N PHE B 58 13.172 18.564 9.256 1.00 72.25 N ATOM 2432 CA PHE B 58 12.702 19.525 8.265 1.00 73.52 C ATOM 2433 C PHE B 58 11.260 19.231 7.863 1.00 1.21 C ATOM 2434 O PHE B 58 10.905 19.296 6.686 1.00 54.13 O ATOM 2435 CB PHE B 58 13.603 19.498 7.029 1.00 21.34 C ATOM 2436 CG PHE B 58 15.017 19.922 7.308 1.00 1.42 C ATOM 2437 CD1 PHE B 58 15.293 21.202 7.761 1.00 54.32 C ATOM 2438 CD2 PHE B 58 16.069 19.040 7.118 1.00 51.33 C ATOM 2439 CE1 PHE B 58 16.593 21.595 8.018 1.00 23.24 C ATOM 2440 CE2 PHE B 58 17.371 19.428 7.374 1.00 4.43 C ATOM 2441 CZ PHE B 58 17.633 20.706 7.826 1.00 13.33 C ATOM 0 H PHE B 58 13.324 17.623 8.892 1.00 72.25 H new ATOM 0 HA PHE B 58 12.741 20.518 8.713 1.00 73.52 H new ATOM 0 HB2 PHE B 58 13.609 18.489 6.616 1.00 21.34 H new ATOM 0 HB3 PHE B 58 13.180 20.152 6.266 1.00 21.34 H new ATOM 0 HD1 PHE B 58 14.484 21.900 7.915 1.00 54.32 H new ATOM 0 HD2 PHE B 58 15.869 18.039 6.766 1.00 51.33 H new ATOM 0 HE1 PHE B 58 16.796 22.596 8.369 1.00 23.24 H new ATOM 0 HE2 PHE B 58 18.182 18.732 7.221 1.00 4.43 H new ATOM 0 HZ PHE B 58 18.649 21.010 8.029 1.00 13.33 H new ATOM 2451 N THR B 59 10.431 18.905 8.851 1.00 3.42 N ATOM 2452 CA THR B 59 9.028 18.599 8.602 1.00 32.14 C ATOM 2453 C THR B 59 8.182 19.867 8.592 1.00 21.44 C ATOM 2454 O THR B 59 7.194 19.961 7.863 1.00 24.22 O ATOM 2455 CB THR B 59 8.468 17.630 9.660 1.00 53.35 C ATOM 2456 OG1 THR B 59 7.126 17.262 9.326 1.00 50.44 O ATOM 2457 CG2 THR B 59 8.496 18.264 11.043 1.00 63.52 C ATOM 0 H THR B 59 10.708 18.846 9.831 1.00 3.42 H new ATOM 0 HA THR B 59 8.977 18.124 7.622 1.00 32.14 H new ATOM 0 HB THR B 59 9.096 16.739 9.673 1.00 53.35 H new ATOM 0 HG1 THR B 59 6.778 16.645 10.003 1.00 50.44 H new ATOM 0 HG21 THR B 59 8.096 17.561 11.774 1.00 63.52 H new ATOM 0 HG22 THR B 59 9.523 18.516 11.307 1.00 63.52 H new ATOM 0 HG23 THR B 59 7.889 19.170 11.041 1.00 63.52 H new ATOM 2465 N LYS B 60 8.575 20.841 9.405 1.00 13.34 N ATOM 2466 CA LYS B 60 7.854 22.106 9.489 1.00 2.41 C ATOM 2467 C LYS B 60 8.116 22.965 8.256 1.00 33.42 C ATOM 2468 O LYS B 60 7.325 23.847 7.922 1.00 21.23 O ATOM 2469 CB LYS B 60 8.265 22.868 10.751 1.00 14.22 C ATOM 2470 CG LYS B 60 9.749 23.184 10.814 1.00 61.42 C ATOM 2471 CD LYS B 60 10.171 23.601 12.213 1.00 54.34 C ATOM 2472 CE LYS B 60 11.231 22.668 12.777 1.00 31.41 C ATOM 2473 NZ LYS B 60 10.798 21.244 12.730 1.00 31.11 N ATOM 0 H LYS B 60 9.390 20.779 10.016 1.00 13.34 H new ATOM 0 HA LYS B 60 6.788 21.885 9.536 1.00 2.41 H new ATOM 0 HB2 LYS B 60 7.701 23.799 10.803 1.00 14.22 H new ATOM 0 HB3 LYS B 60 7.990 22.280 11.626 1.00 14.22 H new ATOM 0 HG2 LYS B 60 10.322 22.309 10.506 1.00 61.42 H new ATOM 0 HG3 LYS B 60 9.982 23.982 10.109 1.00 61.42 H new ATOM 0 HD2 LYS B 60 10.557 24.620 12.189 1.00 54.34 H new ATOM 0 HD3 LYS B 60 9.302 23.605 12.870 1.00 54.34 H new ATOM 0 HE2 LYS B 60 12.156 22.785 12.212 1.00 31.41 H new ATOM 0 HE3 LYS B 60 11.450 22.947 13.808 1.00 31.41 H new ATOM 0 HZ1 LYS B 60 10.893 20.821 13.675 1.00 31.11 H new ATOM 0 HZ2 LYS B 60 9.805 21.193 12.426 1.00 31.11 H new ATOM 0 HZ3 LYS B 60 11.393 20.722 12.055 1.00 31.11 H new ATOM 2487 N TYR B 61 9.230 22.700 7.582 1.00 63.31 N ATOM 2488 CA TYR B 61 9.597 23.450 6.387 1.00 12.35 C ATOM 2489 C TYR B 61 9.323 22.634 5.127 1.00 43.03 C ATOM 2490 O TYR B 61 10.234 22.336 4.354 1.00 15.42 O ATOM 2491 CB TYR B 61 11.073 23.846 6.440 1.00 51.41 C ATOM 2492 CG TYR B 61 11.546 24.238 7.822 1.00 52.31 C ATOM 2493 CD1 TYR B 61 11.232 25.481 8.357 1.00 24.22 C ATOM 2494 CD2 TYR B 61 12.306 23.366 8.591 1.00 43.25 C ATOM 2495 CE1 TYR B 61 11.662 25.845 9.619 1.00 72.43 C ATOM 2496 CE2 TYR B 61 12.738 23.720 9.854 1.00 20.34 C ATOM 2497 CZ TYR B 61 12.414 24.960 10.364 1.00 62.03 C ATOM 2498 OH TYR B 61 12.845 25.318 11.621 1.00 73.32 O ATOM 0 H TYR B 61 9.894 21.971 7.843 1.00 63.31 H new ATOM 0 HA TYR B 61 8.987 24.353 6.354 1.00 12.35 H new ATOM 0 HB2 TYR B 61 11.677 23.013 6.081 1.00 51.41 H new ATOM 0 HB3 TYR B 61 11.242 24.679 5.758 1.00 51.41 H new ATOM 0 HD1 TYR B 61 10.642 26.175 7.777 1.00 24.22 H new ATOM 0 HD2 TYR B 61 12.563 22.395 8.195 1.00 43.25 H new ATOM 0 HE1 TYR B 61 11.411 26.816 10.020 1.00 72.43 H new ATOM 0 HE2 TYR B 61 13.327 23.029 10.440 1.00 20.34 H new ATOM 0 HH TYR B 61 13.361 24.582 12.012 1.00 73.32 H new ATOM 2508 N THR B 62 8.058 22.275 4.925 1.00 34.42 N ATOM 2509 CA THR B 62 7.662 21.494 3.761 1.00 72.42 C ATOM 2510 C THR B 62 7.155 22.395 2.641 1.00 31.24 C ATOM 2511 O THR B 62 7.797 22.527 1.598 1.00 31.52 O ATOM 2512 CB THR B 62 6.567 20.471 4.117 1.00 33.53 C ATOM 2513 OG1 THR B 62 6.257 20.551 5.513 1.00 23.01 O ATOM 2514 CG2 THR B 62 7.013 19.058 3.772 1.00 4.41 C ATOM 0 H THR B 62 7.291 22.513 5.554 1.00 34.42 H new ATOM 0 HA THR B 62 8.550 20.961 3.421 1.00 72.42 H new ATOM 0 HB THR B 62 5.677 20.707 3.533 1.00 33.53 H new ATOM 0 HG1 THR B 62 6.989 20.159 6.034 1.00 23.01 H new ATOM 0 HG21 THR B 62 6.223 18.353 4.032 1.00 4.41 H new ATOM 0 HG22 THR B 62 7.220 18.992 2.704 1.00 4.41 H new ATOM 0 HG23 THR B 62 7.916 18.814 4.332 1.00 4.41 H new ATOM 2522 N LEU B 63 6.000 23.013 2.862 1.00 12.13 N ATOM 2523 CA LEU B 63 5.407 23.904 1.871 1.00 1.11 C ATOM 2524 C LEU B 63 5.557 25.363 2.290 1.00 22.24 C ATOM 2525 O LEU B 63 5.125 26.270 1.580 1.00 42.13 O ATOM 2526 CB LEU B 63 3.928 23.567 1.675 1.00 73.21 C ATOM 2527 CG LEU B 63 2.945 24.309 2.581 1.00 75.31 C ATOM 2528 CD1 LEU B 63 2.351 25.508 1.858 1.00 21.21 C ATOM 2529 CD2 LEU B 63 1.844 23.371 3.055 1.00 54.43 C ATOM 0 H LEU B 63 5.456 22.913 3.719 1.00 12.13 H new ATOM 0 HA LEU B 63 5.935 23.761 0.928 1.00 1.11 H new ATOM 0 HB2 LEU B 63 3.663 23.774 0.638 1.00 73.21 H new ATOM 0 HB3 LEU B 63 3.796 22.496 1.830 1.00 73.21 H new ATOM 0 HG LEU B 63 3.488 24.670 3.454 1.00 75.31 H new ATOM 0 HD11 LEU B 63 1.654 26.023 2.519 1.00 21.21 H new ATOM 0 HD12 LEU B 63 3.150 26.191 1.570 1.00 21.21 H new ATOM 0 HD13 LEU B 63 1.823 25.170 0.966 1.00 21.21 H new ATOM 0 HD21 LEU B 63 1.154 23.916 3.699 1.00 54.43 H new ATOM 0 HD22 LEU B 63 1.304 22.979 2.193 1.00 54.43 H new ATOM 0 HD23 LEU B 63 2.285 22.545 3.613 1.00 54.43 H new ATOM 2541 N TRP B 64 6.175 25.580 3.445 1.00 1.21 N ATOM 2542 CA TRP B 64 6.384 26.929 3.958 1.00 43.23 C ATOM 2543 C TRP B 64 7.022 27.821 2.898 1.00 72.02 C ATOM 2544 O TRP B 64 6.846 29.040 2.911 1.00 64.33 O ATOM 2545 CB TRP B 64 7.265 26.891 5.208 1.00 62.22 C ATOM 2546 CG TRP B 64 8.698 27.237 4.935 1.00 4.30 C ATOM 2547 CD1 TRP B 64 9.363 28.358 5.344 1.00 74.40 C ATOM 2548 CD2 TRP B 64 9.641 26.457 4.193 1.00 4.15 C ATOM 2549 NE1 TRP B 64 10.662 28.321 4.900 1.00 54.00 N ATOM 2550 CE2 TRP B 64 10.859 27.165 4.192 1.00 33.35 C ATOM 2551 CE3 TRP B 64 9.577 25.228 3.531 1.00 30.31 C ATOM 2552 CZ2 TRP B 64 11.999 26.684 3.554 1.00 50.25 C ATOM 2553 CZ3 TRP B 64 10.709 24.752 2.898 1.00 42.23 C ATOM 2554 CH2 TRP B 64 11.907 25.479 2.913 1.00 30.42 C ATOM 0 H TRP B 64 6.540 24.840 4.044 1.00 1.21 H new ATOM 0 HA TRP B 64 5.412 27.346 4.220 1.00 43.23 H new ATOM 0 HB2 TRP B 64 6.865 27.586 5.947 1.00 62.22 H new ATOM 0 HB3 TRP B 64 7.217 25.895 5.648 1.00 62.22 H new ATOM 0 HD1 TRP B 64 8.931 29.156 5.930 1.00 74.40 H new ATOM 0 HE1 TRP B 64 11.367 29.039 5.070 1.00 54.00 H new ATOM 0 HE3 TRP B 64 8.659 24.660 3.514 1.00 30.31 H new ATOM 0 HZ2 TRP B 64 12.923 27.242 3.565 1.00 50.25 H new ATOM 0 HZ3 TRP B 64 10.670 23.804 2.383 1.00 42.23 H new ATOM 0 HH2 TRP B 64 12.775 25.080 2.409 1.00 30.42 H new ATOM 2565 N PHE B 65 7.763 27.207 1.982 1.00 3.22 N ATOM 2566 CA PHE B 65 8.428 27.946 0.915 1.00 51.24 C ATOM 2567 C PHE B 65 7.975 27.449 -0.455 1.00 44.13 C ATOM 2568 O PHE B 65 7.933 28.211 -1.420 1.00 61.53 O ATOM 2569 CB PHE B 65 9.946 27.812 1.042 1.00 33.14 C ATOM 2570 CG PHE B 65 10.620 29.062 1.531 1.00 11.11 C ATOM 2571 CD1 PHE B 65 10.002 29.877 2.466 1.00 22.30 C ATOM 2572 CD2 PHE B 65 11.871 29.422 1.056 1.00 2.15 C ATOM 2573 CE1 PHE B 65 10.620 31.028 2.918 1.00 2.32 C ATOM 2574 CE2 PHE B 65 12.493 30.571 1.505 1.00 4.54 C ATOM 2575 CZ PHE B 65 11.866 31.376 2.436 1.00 1.24 C ATOM 0 H PHE B 65 7.918 26.199 1.957 1.00 3.22 H new ATOM 0 HA PHE B 65 8.154 28.997 1.010 1.00 51.24 H new ATOM 0 HB2 PHE B 65 10.174 26.994 1.726 1.00 33.14 H new ATOM 0 HB3 PHE B 65 10.361 27.541 0.071 1.00 33.14 H new ATOM 0 HD1 PHE B 65 9.027 29.610 2.846 1.00 22.30 H new ATOM 0 HD2 PHE B 65 12.365 28.797 0.327 1.00 2.15 H new ATOM 0 HE1 PHE B 65 10.128 31.654 3.648 1.00 2.32 H new ATOM 0 HE2 PHE B 65 13.469 30.840 1.128 1.00 4.54 H new ATOM 0 HZ PHE B 65 12.350 32.276 2.786 1.00 1.24 H new ATOM 2585 N MET B 66 7.637 26.166 -0.530 1.00 55.55 N ATOM 2586 CA MET B 66 7.186 25.568 -1.781 1.00 63.34 C ATOM 2587 C MET B 66 6.063 26.390 -2.404 1.00 2.10 C ATOM 2588 O MET B 66 5.913 26.431 -3.626 1.00 23.20 O ATOM 2589 CB MET B 66 6.711 24.133 -1.543 1.00 52.14 C ATOM 2590 CG MET B 66 7.071 23.178 -2.670 1.00 45.22 C ATOM 2591 SD MET B 66 5.681 22.150 -3.180 1.00 33.32 S ATOM 2592 CE MET B 66 4.643 23.363 -3.992 1.00 54.53 C ATOM 0 H MET B 66 7.667 25.521 0.260 1.00 55.55 H new ATOM 0 HA MET B 66 8.029 25.555 -2.472 1.00 63.34 H new ATOM 0 HB2 MET B 66 7.145 23.765 -0.613 1.00 52.14 H new ATOM 0 HB3 MET B 66 5.629 24.134 -1.411 1.00 52.14 H new ATOM 0 HG2 MET B 66 7.428 23.751 -3.526 1.00 45.22 H new ATOM 0 HG3 MET B 66 7.893 22.538 -2.350 1.00 45.22 H new ATOM 0 HE1 MET B 66 3.744 23.529 -3.398 1.00 54.53 H new ATOM 0 HE2 MET B 66 5.190 24.301 -4.093 1.00 54.53 H new ATOM 0 HE3 MET B 66 4.362 22.999 -4.980 1.00 54.53 H new ATOM 2602 N THR B 67 5.275 27.046 -1.557 1.00 4.01 N ATOM 2603 CA THR B 67 4.165 27.866 -2.025 1.00 64.01 C ATOM 2604 C THR B 67 4.111 29.195 -1.280 1.00 4.11 C ATOM 2605 O THR B 67 3.137 29.938 -1.386 1.00 25.32 O ATOM 2606 CB THR B 67 2.818 27.139 -1.853 1.00 50.32 C ATOM 2607 OG1 THR B 67 2.954 25.762 -2.221 1.00 43.04 O ATOM 2608 CG2 THR B 67 1.738 27.793 -2.703 1.00 73.01 C ATOM 0 H THR B 67 5.386 27.025 -0.543 1.00 4.01 H new ATOM 0 HA THR B 67 4.336 28.053 -3.085 1.00 64.01 H new ATOM 0 HB THR B 67 2.524 27.207 -0.805 1.00 50.32 H new ATOM 0 HG1 THR B 67 2.094 25.307 -2.107 1.00 43.04 H new ATOM 0 HG21 THR B 67 0.796 27.263 -2.565 1.00 73.01 H new ATOM 0 HG22 THR B 67 1.617 28.833 -2.400 1.00 73.01 H new ATOM 0 HG23 THR B 67 2.027 27.752 -3.753 1.00 73.01 H new ATOM 2616 N ASN B 68 5.166 29.488 -0.526 1.00 11.41 N ATOM 2617 CA ASN B 68 5.238 30.729 0.237 1.00 74.22 C ATOM 2618 C ASN B 68 4.054 30.851 1.191 1.00 14.40 C ATOM 2619 O ASN B 68 3.446 31.915 1.308 1.00 0.14 O ATOM 2620 CB ASN B 68 5.273 31.932 -0.707 1.00 72.14 C ATOM 2621 CG ASN B 68 6.197 31.712 -1.890 1.00 24.42 C ATOM 2622 OD1 ASN B 68 7.402 31.522 -1.723 1.00 31.00 O ATOM 2623 ND2 ASN B 68 5.634 31.738 -3.092 1.00 25.24 N ATOM 0 H ASN B 68 5.982 28.884 -0.427 1.00 11.41 H new ATOM 0 HA ASN B 68 6.155 30.711 0.825 1.00 74.22 H new ATOM 0 HB2 ASN B 68 4.265 32.135 -1.069 1.00 72.14 H new ATOM 0 HB3 ASN B 68 5.597 32.814 -0.155 1.00 72.14 H new ATOM 0 HD21 ASN B 68 6.205 31.597 -3.926 1.00 25.24 H new ATOM 0 HD22 ASN B 68 4.631 31.899 -3.182 1.00 25.24 H new ATOM 2630 N GLN B 69 3.732 29.755 1.870 1.00 42.21 N ATOM 2631 CA GLN B 69 2.620 29.739 2.813 1.00 70.13 C ATOM 2632 C GLN B 69 2.972 28.930 4.056 1.00 10.34 C ATOM 2633 O GLN B 69 3.165 27.716 3.984 1.00 41.40 O ATOM 2634 CB GLN B 69 1.369 29.160 2.150 1.00 35.41 C ATOM 2635 CG GLN B 69 0.074 29.573 2.829 1.00 60.42 C ATOM 2636 CD GLN B 69 -0.430 30.921 2.352 1.00 22.34 C ATOM 2637 OE1 GLN B 69 -0.892 31.059 1.219 1.00 42.13 O ATOM 2638 NE2 GLN B 69 -0.344 31.925 3.217 1.00 14.11 N ATOM 0 H GLN B 69 4.225 28.866 1.785 1.00 42.21 H new ATOM 0 HA GLN B 69 2.419 30.767 3.116 1.00 70.13 H new ATOM 0 HB2 GLN B 69 1.340 29.478 1.108 1.00 35.41 H new ATOM 0 HB3 GLN B 69 1.438 28.072 2.150 1.00 35.41 H new ATOM 0 HG2 GLN B 69 -0.688 28.817 2.640 1.00 60.42 H new ATOM 0 HG3 GLN B 69 0.229 29.608 3.907 1.00 60.42 H new ATOM 0 HE21 GLN B 69 0.046 31.766 4.146 1.00 14.11 H new ATOM 0 HE22 GLN B 69 -0.668 32.855 2.952 1.00 14.11 H new ATOM 2647 N ILE B 70 3.055 29.610 5.195 1.00 24.34 N ATOM 2648 CA ILE B 70 3.383 28.953 6.454 1.00 24.43 C ATOM 2649 C ILE B 70 2.142 28.344 7.097 1.00 41.10 C ATOM 2650 O ILE B 70 1.134 29.023 7.289 1.00 43.13 O ATOM 2651 CB ILE B 70 4.033 29.934 7.448 1.00 12.12 C ATOM 2652 CG1 ILE B 70 3.135 31.155 7.654 1.00 1.24 C ATOM 2653 CG2 ILE B 70 5.407 30.358 6.952 1.00 40.03 C ATOM 2654 CD1 ILE B 70 2.587 31.273 9.059 1.00 23.21 C ATOM 0 H ILE B 70 2.900 30.615 5.271 1.00 24.34 H new ATOM 0 HA ILE B 70 4.094 28.160 6.220 1.00 24.43 H new ATOM 0 HB ILE B 70 4.154 29.430 8.407 1.00 12.12 H new ATOM 0 HG12 ILE B 70 3.701 32.056 7.417 1.00 1.24 H new ATOM 0 HG13 ILE B 70 2.303 31.107 6.951 1.00 1.24 H new ATOM 0 HG21 ILE B 70 5.853 31.051 7.665 1.00 40.03 H new ATOM 0 HG22 ILE B 70 6.045 29.480 6.852 1.00 40.03 H new ATOM 0 HG23 ILE B 70 5.309 30.848 5.983 1.00 40.03 H new ATOM 0 HD11 ILE B 70 1.960 32.161 9.131 1.00 23.21 H new ATOM 0 HD12 ILE B 70 1.993 30.389 9.293 1.00 23.21 H new ATOM 0 HD13 ILE B 70 3.413 31.353 9.766 1.00 23.21 H new ATOM 2666 N ALA B 71 2.223 27.059 7.428 1.00 31.41 N ATOM 2667 CA ALA B 71 1.108 26.359 8.052 1.00 42.14 C ATOM 2668 C ALA B 71 1.444 25.959 9.485 1.00 13.21 C ATOM 2669 O ALA B 71 1.690 24.791 9.787 1.00 44.11 O ATOM 2670 CB ALA B 71 0.730 25.133 7.234 1.00 21.42 C ATOM 0 H ALA B 71 3.050 26.482 7.274 1.00 31.41 H new ATOM 0 HA ALA B 71 0.256 27.038 8.083 1.00 42.14 H new ATOM 0 HB1 ALA B 71 -0.104 24.620 7.712 1.00 21.42 H new ATOM 0 HB2 ALA B 71 0.439 25.441 6.230 1.00 21.42 H new ATOM 0 HB3 ALA B 71 1.584 24.459 7.173 1.00 21.42 H new ATOM 2676 N PRO B 72 1.456 26.949 10.389 1.00 64.10 N ATOM 2677 CA PRO B 72 1.760 26.724 11.805 1.00 11.04 C ATOM 2678 C PRO B 72 0.657 25.952 12.520 1.00 33.42 C ATOM 2679 O PRO B 72 0.899 25.309 13.541 1.00 25.43 O ATOM 2680 CB PRO B 72 1.876 28.141 12.373 1.00 2.43 C ATOM 2681 CG PRO B 72 1.046 28.982 11.465 1.00 51.11 C ATOM 2682 CD PRO B 72 1.172 28.365 10.099 1.00 31.23 C ATOM 0 HA PRO B 72 2.659 26.122 11.938 1.00 11.04 H new ATOM 0 HB2 PRO B 72 1.511 28.187 13.399 1.00 2.43 H new ATOM 0 HB3 PRO B 72 2.912 28.478 12.388 1.00 2.43 H new ATOM 0 HG2 PRO B 72 0.006 28.999 11.791 1.00 51.11 H new ATOM 0 HG3 PRO B 72 1.396 30.014 11.461 1.00 51.11 H new ATOM 0 HD2 PRO B 72 0.256 28.481 9.520 1.00 31.23 H new ATOM 0 HD3 PRO B 72 1.974 28.826 9.522 1.00 31.23 H new ATOM 2690 N GLU B 73 -0.555 26.022 11.978 1.00 4.23 N ATOM 2691 CA GLU B 73 -1.695 25.329 12.565 1.00 61.34 C ATOM 2692 C GLU B 73 -1.427 23.830 12.669 1.00 54.44 C ATOM 2693 O GLU B 73 -2.029 23.136 13.488 1.00 31.22 O ATOM 2694 CB GLU B 73 -2.955 25.576 11.733 1.00 60.13 C ATOM 2695 CG GLU B 73 -3.316 27.046 11.598 1.00 64.33 C ATOM 2696 CD GLU B 73 -3.622 27.697 12.933 1.00 11.13 C ATOM 2697 OE1 GLU B 73 -4.760 27.540 13.423 1.00 33.02 O ATOM 2698 OE2 GLU B 73 -2.723 28.363 13.487 1.00 41.10 O ATOM 0 H GLU B 73 -0.772 26.552 11.134 1.00 4.23 H new ATOM 0 HA GLU B 73 -1.848 25.724 13.569 1.00 61.34 H new ATOM 0 HB2 GLU B 73 -2.813 25.153 10.739 1.00 60.13 H new ATOM 0 HB3 GLU B 73 -3.791 25.045 12.189 1.00 60.13 H new ATOM 0 HG2 GLU B 73 -2.492 27.576 11.120 1.00 64.33 H new ATOM 0 HG3 GLU B 73 -4.182 27.145 10.943 1.00 64.33 H new ATOM 2705 N SER B 74 -0.519 23.338 11.832 1.00 3.13 N ATOM 2706 CA SER B 74 -0.173 21.922 11.826 1.00 54.43 C ATOM 2707 C SER B 74 1.252 21.708 12.326 1.00 41.34 C ATOM 2708 O SER B 74 1.586 20.645 12.848 1.00 62.25 O ATOM 2709 CB SER B 74 -0.323 21.345 10.417 1.00 12.33 C ATOM 2710 OG SER B 74 -1.585 21.673 9.863 1.00 21.43 O ATOM 0 H SER B 74 -0.010 23.899 11.149 1.00 3.13 H new ATOM 0 HA SER B 74 -0.857 21.404 12.498 1.00 54.43 H new ATOM 0 HB2 SER B 74 0.470 21.731 9.776 1.00 12.33 H new ATOM 0 HB3 SER B 74 -0.207 20.262 10.450 1.00 12.33 H new ATOM 0 HG SER B 74 -1.465 22.322 9.138 1.00 21.43 H new ATOM 2716 N GLY B 75 2.089 22.728 12.163 1.00 32.12 N ATOM 2717 CA GLY B 75 3.469 22.633 12.603 1.00 40.12 C ATOM 2718 C GLY B 75 4.453 22.983 11.504 1.00 61.53 C ATOM 2719 O GLY B 75 5.499 22.348 11.374 1.00 74.03 O ATOM 0 H GLY B 75 1.836 23.618 11.734 1.00 32.12 H new ATOM 0 HA2 GLY B 75 3.624 23.300 13.451 1.00 40.12 H new ATOM 0 HA3 GLY B 75 3.666 21.620 12.954 1.00 40.12 H new ATOM 2723 N GLN B 76 4.116 23.995 10.711 1.00 5.14 N ATOM 2724 CA GLN B 76 4.978 24.426 9.616 1.00 30.43 C ATOM 2725 C GLN B 76 5.184 25.937 9.647 1.00 1.04 C ATOM 2726 O GLN B 76 4.227 26.705 9.541 1.00 20.13 O ATOM 2727 CB GLN B 76 4.377 24.009 8.272 1.00 34.10 C ATOM 2728 CG GLN B 76 4.571 22.536 7.950 1.00 32.22 C ATOM 2729 CD GLN B 76 3.833 21.626 8.913 1.00 51.40 C ATOM 2730 OE1 GLN B 76 2.767 21.976 9.422 1.00 11.02 O ATOM 2731 NE2 GLN B 76 4.397 20.452 9.168 1.00 72.22 N ATOM 0 H GLN B 76 3.254 24.531 10.806 1.00 5.14 H new ATOM 0 HA GLN B 76 5.948 23.943 9.739 1.00 30.43 H new ATOM 0 HB2 GLN B 76 3.311 24.234 8.275 1.00 34.10 H new ATOM 0 HB3 GLN B 76 4.827 24.608 7.480 1.00 34.10 H new ATOM 0 HG2 GLN B 76 4.225 22.341 6.935 1.00 32.22 H new ATOM 0 HG3 GLN B 76 5.635 22.299 7.975 1.00 32.22 H new ATOM 0 HE21 GLN B 76 5.281 20.204 8.724 1.00 72.22 H new ATOM 0 HE22 GLN B 76 3.947 19.798 9.808 1.00 72.22 H new ATOM 2740 N ILE B 77 6.436 26.355 9.795 1.00 41.52 N ATOM 2741 CA ILE B 77 6.766 27.774 9.839 1.00 50.31 C ATOM 2742 C ILE B 77 8.106 28.048 9.164 1.00 5.22 C ATOM 2743 O ILE B 77 8.811 27.123 8.762 1.00 61.33 O ATOM 2744 CB ILE B 77 6.819 28.295 11.288 1.00 44.11 C ATOM 2745 CG1 ILE B 77 8.148 27.913 11.942 1.00 70.24 C ATOM 2746 CG2 ILE B 77 5.650 27.744 12.091 1.00 64.41 C ATOM 2747 CD1 ILE B 77 8.414 26.424 11.947 1.00 2.32 C ATOM 0 H ILE B 77 7.238 25.732 9.886 1.00 41.52 H new ATOM 0 HA ILE B 77 5.976 28.298 9.301 1.00 50.31 H new ATOM 0 HB ILE B 77 6.743 29.382 11.271 1.00 44.11 H new ATOM 0 HG12 ILE B 77 8.960 28.417 11.417 1.00 70.24 H new ATOM 0 HG13 ILE B 77 8.157 28.279 12.969 1.00 70.24 H new ATOM 0 HG21 ILE B 77 5.701 28.121 13.113 1.00 64.41 H new ATOM 0 HG22 ILE B 77 4.713 28.061 11.633 1.00 64.41 H new ATOM 0 HG23 ILE B 77 5.698 26.655 12.103 1.00 64.41 H new ATOM 0 HD11 ILE B 77 9.373 26.227 12.426 1.00 2.32 H new ATOM 0 HD12 ILE B 77 7.623 25.915 12.497 1.00 2.32 H new ATOM 0 HD13 ILE B 77 8.438 26.055 10.922 1.00 2.32 H new ATOM 2759 N ALA B 78 8.451 29.326 9.044 1.00 60.23 N ATOM 2760 CA ALA B 78 9.708 29.722 8.421 1.00 30.33 C ATOM 2761 C ALA B 78 10.802 29.915 9.466 1.00 42.43 C ATOM 2762 O ALA B 78 10.565 30.426 10.561 1.00 1.45 O ATOM 2763 CB ALA B 78 9.518 30.997 7.613 1.00 22.31 C ATOM 0 H ALA B 78 7.878 30.104 9.370 1.00 60.23 H new ATOM 0 HA ALA B 78 10.020 28.922 7.750 1.00 30.33 H new ATOM 0 HB1 ALA B 78 10.465 31.281 7.153 1.00 22.31 H new ATOM 0 HB2 ALA B 78 8.774 30.827 6.835 1.00 22.31 H new ATOM 0 HB3 ALA B 78 9.179 31.798 8.271 1.00 22.31 H new ATOM 2769 N PRO B 79 12.029 29.496 9.123 1.00 54.52 N ATOM 2770 CA PRO B 79 13.184 29.612 10.019 1.00 53.33 C ATOM 2771 C PRO B 79 13.625 31.058 10.211 1.00 52.42 C ATOM 2772 O PRO B 79 12.934 31.988 9.797 1.00 11.10 O ATOM 2773 CB PRO B 79 14.273 28.812 9.299 1.00 0.21 C ATOM 2774 CG PRO B 79 13.887 28.857 7.860 1.00 1.12 C ATOM 2775 CD PRO B 79 12.384 28.877 7.835 1.00 63.55 C ATOM 0 HA PRO B 79 12.960 29.248 11.022 1.00 53.33 H new ATOM 0 HB2 PRO B 79 15.258 29.251 9.459 1.00 0.21 H new ATOM 0 HB3 PRO B 79 14.318 27.786 9.665 1.00 0.21 H new ATOM 0 HG2 PRO B 79 14.297 29.742 7.373 1.00 1.12 H new ATOM 0 HG3 PRO B 79 14.275 27.990 7.325 1.00 1.12 H new ATOM 0 HD2 PRO B 79 12.004 29.455 6.993 1.00 63.55 H new ATOM 0 HD3 PRO B 79 11.970 27.873 7.744 1.00 63.55 H new ATOM 2783 N ALA B 80 14.781 31.241 10.841 1.00 25.42 N ATOM 2784 CA ALA B 80 15.315 32.575 11.086 1.00 0.54 C ATOM 2785 C ALA B 80 15.946 33.154 9.824 1.00 35.22 C ATOM 2786 O ALA B 80 15.659 34.288 9.439 1.00 62.14 O ATOM 2787 CB ALA B 80 16.333 32.536 12.217 1.00 73.13 C ATOM 0 H ALA B 80 15.366 30.482 11.191 1.00 25.42 H new ATOM 0 HA ALA B 80 14.488 33.223 11.378 1.00 0.54 H new ATOM 0 HB1 ALA B 80 16.724 33.539 12.389 1.00 73.13 H new ATOM 0 HB2 ALA B 80 15.853 32.172 13.126 1.00 73.13 H new ATOM 0 HB3 ALA B 80 17.152 31.869 11.947 1.00 73.13 H new ATOM 2793 N LEU B 81 16.805 32.369 9.184 1.00 30.02 N ATOM 2794 CA LEU B 81 17.477 32.804 7.965 1.00 34.04 C ATOM 2795 C LEU B 81 16.465 33.111 6.865 1.00 42.43 C ATOM 2796 O LEU B 81 16.673 34.009 6.050 1.00 23.42 O ATOM 2797 CB LEU B 81 18.456 31.730 7.487 1.00 64.45 C ATOM 2798 CG LEU B 81 19.617 31.413 8.431 1.00 64.45 C ATOM 2799 CD1 LEU B 81 19.320 30.162 9.242 1.00 35.40 C ATOM 2800 CD2 LEU B 81 20.911 31.248 7.647 1.00 62.22 C ATOM 0 H LEU B 81 17.053 31.428 9.489 1.00 30.02 H new ATOM 0 HA LEU B 81 18.030 33.716 8.190 1.00 34.04 H new ATOM 0 HB2 LEU B 81 17.898 30.811 7.309 1.00 64.45 H new ATOM 0 HB3 LEU B 81 18.869 32.044 6.528 1.00 64.45 H new ATOM 0 HG LEU B 81 19.737 32.248 9.121 1.00 64.45 H new ATOM 0 HD11 LEU B 81 20.157 29.953 9.908 1.00 35.40 H new ATOM 0 HD12 LEU B 81 18.417 30.317 9.832 1.00 35.40 H new ATOM 0 HD13 LEU B 81 19.172 29.318 8.568 1.00 35.40 H new ATOM 0 HD21 LEU B 81 21.727 31.023 8.334 1.00 62.22 H new ATOM 0 HD22 LEU B 81 20.802 30.432 6.933 1.00 62.22 H new ATOM 0 HD23 LEU B 81 21.132 32.171 7.111 1.00 62.22 H new ATOM 2812 N ALA B 82 15.369 32.359 6.850 1.00 60.51 N ATOM 2813 CA ALA B 82 14.323 32.554 5.854 1.00 44.45 C ATOM 2814 C ALA B 82 13.907 34.018 5.774 1.00 20.32 C ATOM 2815 O ALA B 82 14.035 34.655 4.728 1.00 2.23 O ATOM 2816 CB ALA B 82 13.121 31.678 6.174 1.00 40.20 C ATOM 0 H ALA B 82 15.183 31.609 7.516 1.00 60.51 H new ATOM 0 HA ALA B 82 14.722 32.264 4.882 1.00 44.45 H new ATOM 0 HB1 ALA B 82 12.347 31.833 5.422 1.00 40.20 H new ATOM 0 HB2 ALA B 82 13.423 30.631 6.172 1.00 40.20 H new ATOM 0 HB3 ALA B 82 12.730 31.941 7.157 1.00 40.20 H new