USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1238 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 119 LYS NZ :NH3+ -149:sc= 1.25 (180deg=-0.161) USER MOD Set 1.2: B 121 GLN : amide:sc= 0.813 K(o=2.1,f=1.1) USER MOD Set 2.1: B 117 ASN : amide:sc= -0.0355 X(o=-0.036,f=0) USER MOD Set 2.2: B 118 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 84 ASN : amide:sc= -0.646 K(o=-0.5,f=-5.4!) USER MOD Set 3.2: B 92 THR OG1 : rot 162:sc= 0.142 USER MOD Set 4.1: B 79 TYR OH : rot -76:sc= 0.135 USER MOD Set 4.2: B 100 ASN : amide:sc= 0.13 X(o=0.27,f=0.03) USER MOD Set 5.1: B 69 SER OG : rot 180:sc= 1.18 USER MOD Set 5.2: B 80 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0) USER MOD Set 6.1: B 59 TYR OH : rot 106:sc= 0.729 USER MOD Set 6.2: B 99 LYS NZ :NH3+ -149:sc= 0.797 (180deg=0) USER MOD Set 7.1: A 68 HIS : no HD1:sc= -0.439! C(o=-0.44!,f=-5.8!) USER MOD Set 7.2: B 109 GLN : amide:sc= 0 K(o=-0.44,f=-1.6) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.128) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.14 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= -2.7! K(o=-2.7!,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 2.22 (180deg=1.88) USER MOD Single : A 7 THR OG1 : rot -90:sc= -0.901 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0915) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 51:sc= 0.0744 USER MOD Single : A 22 THR OG1 : rot 149:sc= 1.43 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0.821 (180deg=0.792) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.967 K(o=-0.97,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.57 (180deg=1.48) USER MOD Single : A 40 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= -0.987! K(o=-0.99!,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -60:sc= 0.754 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -113:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 48:sc= 0.417 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : B 54 SER OG : rot 176:sc= 1.37 USER MOD Single : B 56 LYS NZ :NH3+ -157:sc= 1.19 (180deg=1.02) USER MOD Single : B 62 LYS NZ :NH3+ -162:sc= -0.039 (180deg=-0.291) USER MOD Single : B 66 TYR OH : rot 180:sc= 0.615 USER MOD Single : B 73 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot 82:sc= 1.27 USER MOD Single : B 86 SER OG : rot 180:sc= -0.206 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : B 98 GLN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : B 103 ASN : amide:sc= 0.291 K(o=0.29,f=-3.5!) USER MOD Single : B 105 MET CE :methyl -178:sc= 0 (180deg=-0.0037) USER MOD Single : B 112 LYS NZ :NH3+ -111:sc= 0.957 (180deg=-0.592) USER MOD Single : B 122 MET CE :methyl -139:sc= -0.13 (180deg=-0.618) USER MOD Single : B 127 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.794 4.973 -5.488 1.00 1.19 N ATOM 2 CA MET A 1 -19.865 5.420 -6.548 1.00 1.06 C ATOM 3 C MET A 1 -18.813 4.352 -6.801 1.00 1.03 C ATOM 4 O MET A 1 -18.569 3.496 -5.948 1.00 1.13 O ATOM 5 CB MET A 1 -19.184 6.737 -6.153 1.00 1.01 C ATOM 6 CG MET A 1 -18.175 6.593 -5.024 1.00 1.07 C ATOM 7 SD MET A 1 -17.247 8.106 -4.724 1.00 1.25 S ATOM 8 CE MET A 1 -18.519 9.169 -4.044 1.00 1.32 C ATOM 0 H1 MET A 1 -21.425 5.757 -5.226 1.00 1.19 H new ATOM 0 H2 MET A 1 -21.361 4.175 -5.838 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.250 4.672 -4.654 1.00 1.19 H new ATOM 0 HA MET A 1 -20.438 5.585 -7.460 1.00 1.06 H new ATOM 0 HB2 MET A 1 -18.681 7.151 -7.027 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.948 7.455 -5.855 1.00 1.01 H new ATOM 0 HG2 MET A 1 -18.696 6.304 -4.111 1.00 1.07 H new ATOM 0 HG3 MET A 1 -17.481 5.787 -5.263 1.00 1.07 H new ATOM 0 HE1 MET A 1 -18.062 10.075 -3.646 1.00 1.32 H new ATOM 0 HE2 MET A 1 -19.229 9.434 -4.828 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.041 8.645 -3.244 1.00 1.32 H new ATOM 20 N GLN A 2 -18.203 4.401 -7.975 1.00 0.93 N ATOM 21 CA GLN A 2 -17.166 3.455 -8.347 1.00 0.89 C ATOM 22 C GLN A 2 -15.804 4.014 -7.952 1.00 0.85 C ATOM 23 O GLN A 2 -15.422 5.101 -8.384 1.00 0.93 O ATOM 24 CB GLN A 2 -17.234 3.177 -9.854 1.00 0.94 C ATOM 25 CG GLN A 2 -16.071 2.367 -10.397 1.00 1.18 C ATOM 26 CD GLN A 2 -16.357 1.804 -11.776 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.214 2.491 -12.787 1.00 1.35 O ATOM 28 NE2 GLN A 2 -16.757 0.542 -11.825 1.00 1.61 N ATOM 0 H GLN A 2 -18.412 5.095 -8.693 1.00 0.93 H new ATOM 0 HA GLN A 2 -17.318 2.513 -7.821 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -18.162 2.648 -10.072 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -17.277 4.128 -10.385 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -15.182 2.996 -10.441 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.849 1.549 -9.712 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -16.863 0.007 -10.963 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -16.959 0.106 -12.725 1.00 1.61 H new ATOM 37 N ILE A 3 -15.086 3.274 -7.121 1.00 0.76 N ATOM 38 CA ILE A 3 -13.780 3.711 -6.650 1.00 0.72 C ATOM 39 C ILE A 3 -12.660 2.873 -7.256 1.00 0.68 C ATOM 40 O ILE A 3 -12.902 1.798 -7.814 1.00 0.66 O ATOM 41 CB ILE A 3 -13.674 3.665 -5.106 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.725 2.217 -4.578 1.00 0.60 C ATOM 43 CG2 ILE A 3 -14.765 4.517 -4.467 1.00 0.85 C ATOM 44 CD1 ILE A 3 -15.122 1.661 -4.385 1.00 0.78 C ATOM 0 H ILE A 3 -15.385 2.369 -6.759 1.00 0.76 H new ATOM 0 HA ILE A 3 -13.669 4.746 -6.975 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.706 4.080 -4.827 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -13.185 1.573 -5.272 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -13.197 2.173 -3.626 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -14.673 4.472 -3.382 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -14.660 5.550 -4.797 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.743 4.139 -4.765 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -15.058 0.639 -4.012 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.663 2.277 -3.666 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.651 1.667 -5.338 1.00 0.78 H new ATOM 56 N PHE A 4 -11.436 3.376 -7.143 1.00 0.68 N ATOM 57 CA PHE A 4 -10.267 2.691 -7.668 1.00 0.66 C ATOM 58 C PHE A 4 -9.367 2.259 -6.521 1.00 0.61 C ATOM 59 O PHE A 4 -8.887 3.090 -5.748 1.00 0.70 O ATOM 60 CB PHE A 4 -9.493 3.606 -8.624 1.00 0.73 C ATOM 61 CG PHE A 4 -10.311 4.112 -9.783 1.00 0.82 C ATOM 62 CD1 PHE A 4 -10.514 3.322 -10.902 1.00 1.03 C ATOM 63 CD2 PHE A 4 -10.878 5.379 -9.753 1.00 0.88 C ATOM 64 CE1 PHE A 4 -11.264 3.784 -11.967 1.00 1.12 C ATOM 65 CE2 PHE A 4 -11.629 5.843 -10.817 1.00 0.96 C ATOM 66 CZ PHE A 4 -11.821 5.045 -11.925 1.00 1.00 C ATOM 0 H PHE A 4 -11.230 4.265 -6.687 1.00 0.68 H new ATOM 0 HA PHE A 4 -10.595 1.811 -8.220 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -9.109 4.459 -8.064 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -8.630 3.064 -9.011 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -10.081 2.333 -10.943 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -10.731 6.009 -8.889 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -11.414 3.157 -12.833 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -12.065 6.830 -10.780 1.00 0.96 H new ATOM 0 HZ PHE A 4 -12.406 5.406 -12.758 1.00 1.00 H new ATOM 76 N VAL A 5 -9.144 0.964 -6.399 1.00 0.53 N ATOM 77 CA VAL A 5 -8.309 0.451 -5.330 1.00 0.51 C ATOM 78 C VAL A 5 -7.037 -0.187 -5.880 1.00 0.51 C ATOM 79 O VAL A 5 -7.077 -1.000 -6.804 1.00 0.53 O ATOM 80 CB VAL A 5 -9.083 -0.554 -4.446 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.585 -1.738 -5.257 1.00 0.56 C ATOM 82 CG2 VAL A 5 -8.223 -1.023 -3.283 1.00 0.54 C ATOM 0 H VAL A 5 -9.526 0.253 -7.022 1.00 0.53 H new ATOM 0 HA VAL A 5 -8.021 1.298 -4.707 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.954 -0.037 -4.043 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -10.124 -2.424 -4.604 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.253 -1.384 -6.042 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.738 -2.256 -5.707 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.788 -1.729 -2.674 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.327 -1.510 -3.667 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.937 -0.166 -2.673 1.00 0.54 H new ATOM 92 N LYS A 6 -5.903 0.220 -5.327 1.00 0.54 N ATOM 93 CA LYS A 6 -4.615 -0.309 -5.739 1.00 0.58 C ATOM 94 C LYS A 6 -4.136 -1.356 -4.742 1.00 0.56 C ATOM 95 O LYS A 6 -3.945 -1.064 -3.558 1.00 0.51 O ATOM 96 CB LYS A 6 -3.590 0.819 -5.876 1.00 0.63 C ATOM 97 CG LYS A 6 -3.777 1.645 -7.141 1.00 1.21 C ATOM 98 CD LYS A 6 -2.915 2.899 -7.129 1.00 1.17 C ATOM 99 CE LYS A 6 -3.685 4.098 -6.592 1.00 1.38 C ATOM 100 NZ LYS A 6 -2.841 5.320 -6.539 1.00 1.38 N ATOM 0 H LYS A 6 -5.852 0.920 -4.587 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.727 -0.784 -6.714 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.661 1.474 -5.008 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.587 0.393 -5.872 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -3.525 1.039 -8.011 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.826 1.926 -7.240 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.030 2.728 -6.515 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -2.566 3.112 -8.139 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -4.554 4.284 -7.223 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -4.059 3.872 -5.594 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -3.445 6.152 -6.382 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -2.158 5.236 -5.760 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -2.329 5.428 -7.438 1.00 1.38 H new ATOM 114 N THR A 7 -3.964 -2.574 -5.225 1.00 0.61 N ATOM 115 CA THR A 7 -3.533 -3.687 -4.394 1.00 0.62 C ATOM 116 C THR A 7 -2.028 -3.649 -4.115 1.00 0.63 C ATOM 117 O THR A 7 -1.331 -2.709 -4.506 1.00 0.74 O ATOM 118 CB THR A 7 -3.902 -5.019 -5.071 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.794 -4.766 -6.161 1.00 1.05 O ATOM 120 CG2 THR A 7 -4.564 -5.969 -4.088 1.00 0.90 C ATOM 0 H THR A 7 -4.119 -2.820 -6.203 1.00 0.61 H new ATOM 0 HA THR A 7 -4.048 -3.600 -3.438 1.00 0.62 H new ATOM 0 HB THR A 7 -2.986 -5.485 -5.435 1.00 0.69 H new ATOM 0 HG1 THR A 7 -5.720 -4.800 -5.841 1.00 1.05 H new ATOM 0 HG21 THR A 7 -4.813 -6.901 -4.595 1.00 0.90 H new ATOM 0 HG22 THR A 7 -3.880 -6.175 -3.265 1.00 0.90 H new ATOM 0 HG23 THR A 7 -5.474 -5.513 -3.698 1.00 0.90 H new ATOM 128 N LEU A 8 -1.544 -4.684 -3.436 1.00 0.62 N ATOM 129 CA LEU A 8 -0.135 -4.807 -3.078 1.00 0.65 C ATOM 130 C LEU A 8 0.749 -4.823 -4.321 1.00 0.67 C ATOM 131 O LEU A 8 1.784 -4.167 -4.368 1.00 0.73 O ATOM 132 CB LEU A 8 0.074 -6.095 -2.276 1.00 0.72 C ATOM 133 CG LEU A 8 1.043 -5.995 -1.095 1.00 0.84 C ATOM 134 CD1 LEU A 8 0.877 -7.199 -0.180 1.00 1.54 C ATOM 135 CD2 LEU A 8 2.481 -5.894 -1.581 1.00 0.94 C ATOM 0 H LEU A 8 -2.120 -5.464 -3.117 1.00 0.62 H new ATOM 0 HA LEU A 8 0.146 -3.944 -2.474 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.894 -6.428 -1.900 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.436 -6.868 -2.954 1.00 0.72 H new ATOM 0 HG LEU A 8 0.810 -5.090 -0.534 1.00 0.84 H new ATOM 0 HD11 LEU A 8 1.571 -7.118 0.657 1.00 1.54 H new ATOM 0 HD12 LEU A 8 -0.145 -7.231 0.198 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.086 -8.112 -0.738 1.00 1.54 H new ATOM 0 HD21 LEU A 8 3.151 -5.824 -0.724 1.00 0.94 H new ATOM 0 HD22 LEU A 8 2.731 -6.780 -2.165 1.00 0.94 H new ATOM 0 HD23 LEU A 8 2.593 -5.006 -2.203 1.00 0.94 H new ATOM 147 N THR A 9 0.310 -5.554 -5.334 1.00 0.67 N ATOM 148 CA THR A 9 1.058 -5.684 -6.578 1.00 0.74 C ATOM 149 C THR A 9 0.884 -4.469 -7.492 1.00 0.75 C ATOM 150 O THR A 9 1.212 -4.527 -8.679 1.00 0.90 O ATOM 151 CB THR A 9 0.607 -6.946 -7.330 1.00 0.80 C ATOM 152 OG1 THR A 9 -0.817 -7.071 -7.238 1.00 1.26 O ATOM 153 CG2 THR A 9 1.262 -8.191 -6.753 1.00 0.91 C ATOM 0 H THR A 9 -0.569 -6.071 -5.319 1.00 0.67 H new ATOM 0 HA THR A 9 2.112 -5.755 -6.311 1.00 0.74 H new ATOM 0 HB THR A 9 0.909 -6.851 -8.373 1.00 0.80 H new ATOM 0 HG1 THR A 9 -1.107 -7.874 -7.719 1.00 1.26 H new ATOM 0 HG21 THR A 9 0.925 -9.069 -7.305 1.00 0.91 H new ATOM 0 HG22 THR A 9 2.345 -8.104 -6.837 1.00 0.91 H new ATOM 0 HG23 THR A 9 0.986 -8.294 -5.703 1.00 0.91 H new ATOM 161 N GLY A 10 0.357 -3.380 -6.943 1.00 0.71 N ATOM 162 CA GLY A 10 0.146 -2.174 -7.724 1.00 0.75 C ATOM 163 C GLY A 10 -0.992 -2.320 -8.714 1.00 0.76 C ATOM 164 O GLY A 10 -1.123 -1.534 -9.650 1.00 0.89 O ATOM 0 H GLY A 10 0.071 -3.311 -5.966 1.00 0.71 H new ATOM 0 HA2 GLY A 10 -0.064 -1.342 -7.053 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.062 -1.927 -8.261 1.00 0.75 H new ATOM 168 N LYS A 11 -1.814 -3.336 -8.499 1.00 0.82 N ATOM 169 CA LYS A 11 -2.946 -3.612 -9.365 1.00 0.85 C ATOM 170 C LYS A 11 -4.079 -2.633 -9.084 1.00 0.77 C ATOM 171 O LYS A 11 -4.442 -2.413 -7.931 1.00 0.78 O ATOM 172 CB LYS A 11 -3.420 -5.049 -9.145 1.00 0.90 C ATOM 173 CG LYS A 11 -4.447 -5.526 -10.155 1.00 0.96 C ATOM 174 CD LYS A 11 -5.041 -6.859 -9.737 1.00 1.09 C ATOM 175 CE LYS A 11 -5.674 -7.585 -10.910 1.00 1.43 C ATOM 176 NZ LYS A 11 -4.653 -8.151 -11.832 1.00 1.63 N ATOM 0 H LYS A 11 -1.714 -3.989 -7.722 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.638 -3.492 -10.404 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -2.557 -5.714 -9.179 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -3.845 -5.130 -8.145 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -5.240 -4.784 -10.251 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.981 -5.623 -11.135 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -4.262 -7.484 -9.300 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -5.791 -6.696 -8.962 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -6.311 -8.387 -10.538 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -6.316 -6.896 -11.459 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -5.106 -8.829 -12.477 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -4.221 -7.383 -12.385 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -3.918 -8.637 -11.280 1.00 1.63 H new ATOM 190 N THR A 12 -4.625 -2.039 -10.131 1.00 0.85 N ATOM 191 CA THR A 12 -5.712 -1.089 -9.977 1.00 0.80 C ATOM 192 C THR A 12 -7.052 -1.748 -10.296 1.00 0.81 C ATOM 193 O THR A 12 -7.416 -1.915 -11.463 1.00 0.91 O ATOM 194 CB THR A 12 -5.503 0.138 -10.881 1.00 0.85 C ATOM 195 OG1 THR A 12 -4.115 0.500 -10.888 1.00 0.90 O ATOM 196 CG2 THR A 12 -6.336 1.317 -10.397 1.00 0.84 C ATOM 0 H THR A 12 -4.334 -2.198 -11.096 1.00 0.85 H new ATOM 0 HA THR A 12 -5.720 -0.757 -8.939 1.00 0.80 H new ATOM 0 HB THR A 12 -5.822 -0.119 -11.891 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.983 1.281 -11.466 1.00 0.90 H new ATOM 0 HG21 THR A 12 -6.171 2.172 -11.052 1.00 0.84 H new ATOM 0 HG22 THR A 12 -7.392 1.047 -10.412 1.00 0.84 H new ATOM 0 HG23 THR A 12 -6.042 1.577 -9.380 1.00 0.84 H new ATOM 204 N ILE A 13 -7.774 -2.133 -9.257 1.00 0.72 N ATOM 205 CA ILE A 13 -9.064 -2.785 -9.424 1.00 0.74 C ATOM 206 C ILE A 13 -10.200 -1.772 -9.328 1.00 0.71 C ATOM 207 O ILE A 13 -10.141 -0.831 -8.532 1.00 0.64 O ATOM 208 CB ILE A 13 -9.277 -3.893 -8.369 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.987 -4.696 -8.166 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.413 -4.818 -8.788 1.00 0.80 C ATOM 211 CD1 ILE A 13 -8.042 -5.657 -6.995 1.00 0.85 C ATOM 0 H ILE A 13 -7.489 -2.005 -8.286 1.00 0.72 H new ATOM 0 HA ILE A 13 -9.068 -3.240 -10.415 1.00 0.74 H new ATOM 0 HB ILE A 13 -9.545 -3.420 -7.424 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.773 -5.258 -9.075 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -7.159 -4.003 -8.017 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.549 -5.592 -8.033 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.333 -4.242 -8.887 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -10.171 -5.282 -9.744 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -7.094 -6.188 -6.916 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.224 -5.100 -6.076 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.848 -6.374 -7.150 1.00 0.85 H new ATOM 223 N THR A 14 -11.225 -1.964 -10.138 1.00 0.80 N ATOM 224 CA THR A 14 -12.364 -1.065 -10.150 1.00 0.81 C ATOM 225 C THR A 14 -13.573 -1.696 -9.459 1.00 0.78 C ATOM 226 O THR A 14 -14.048 -2.763 -9.863 1.00 0.83 O ATOM 227 CB THR A 14 -12.735 -0.689 -11.594 1.00 0.94 C ATOM 228 OG1 THR A 14 -11.645 -1.005 -12.477 1.00 1.01 O ATOM 229 CG2 THR A 14 -13.058 0.790 -11.693 1.00 1.07 C ATOM 0 H THR A 14 -11.292 -2.738 -10.799 1.00 0.80 H new ATOM 0 HA THR A 14 -12.082 -0.165 -9.603 1.00 0.81 H new ATOM 0 HB THR A 14 -13.616 -1.261 -11.885 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.888 -0.765 -13.396 1.00 1.01 H new ATOM 0 HG21 THR A 14 -13.318 1.038 -12.722 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.899 1.023 -11.040 1.00 1.07 H new ATOM 0 HG23 THR A 14 -12.189 1.373 -11.388 1.00 1.07 H new ATOM 237 N LEU A 15 -14.058 -1.045 -8.411 1.00 0.74 N ATOM 238 CA LEU A 15 -15.209 -1.542 -7.670 1.00 0.75 C ATOM 239 C LEU A 15 -16.374 -0.576 -7.793 1.00 0.79 C ATOM 240 O LEU A 15 -16.241 0.612 -7.501 1.00 0.81 O ATOM 241 CB LEU A 15 -14.857 -1.753 -6.194 1.00 0.74 C ATOM 242 CG LEU A 15 -14.343 -3.150 -5.830 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.245 -4.228 -6.410 1.00 0.97 C ATOM 244 CD2 LEU A 15 -12.908 -3.337 -6.299 1.00 0.93 C ATOM 0 H LEU A 15 -13.672 -0.171 -8.054 1.00 0.74 H new ATOM 0 HA LEU A 15 -15.498 -2.502 -8.097 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -14.100 -1.022 -5.911 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.743 -1.543 -5.594 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.360 -3.243 -4.744 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -14.859 -5.210 -6.138 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.253 -4.111 -6.013 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.270 -4.136 -7.496 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -12.564 -4.336 -6.030 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -12.860 -3.216 -7.381 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.270 -2.593 -5.823 1.00 0.93 H new ATOM 256 N GLU A 16 -17.514 -1.088 -8.230 1.00 0.84 N ATOM 257 CA GLU A 16 -18.701 -0.271 -8.405 1.00 0.90 C ATOM 258 C GLU A 16 -19.765 -0.626 -7.367 1.00 0.83 C ATOM 259 O GLU A 16 -20.255 -1.756 -7.318 1.00 0.87 O ATOM 260 CB GLU A 16 -19.256 -0.411 -9.833 1.00 1.04 C ATOM 261 CG GLU A 16 -19.663 -1.824 -10.239 1.00 1.10 C ATOM 262 CD GLU A 16 -18.500 -2.793 -10.323 1.00 1.18 C ATOM 263 OE1 GLU A 16 -17.822 -2.836 -11.368 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.254 -3.517 -9.333 1.00 1.26 O ATOM 0 H GLU A 16 -17.641 -2.071 -8.471 1.00 0.84 H new ATOM 0 HA GLU A 16 -18.420 0.771 -8.254 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -20.123 0.242 -9.934 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.503 -0.052 -10.535 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -20.390 -2.204 -9.521 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -20.162 -1.785 -11.207 1.00 1.10 H new ATOM 271 N VAL A 17 -20.098 0.346 -6.528 1.00 0.79 N ATOM 272 CA VAL A 17 -21.099 0.169 -5.477 1.00 0.77 C ATOM 273 C VAL A 17 -21.863 1.470 -5.256 1.00 0.78 C ATOM 274 O VAL A 17 -21.549 2.489 -5.873 1.00 0.77 O ATOM 275 CB VAL A 17 -20.460 -0.273 -4.137 1.00 0.73 C ATOM 276 CG1 VAL A 17 -20.236 -1.780 -4.109 1.00 0.76 C ATOM 277 CG2 VAL A 17 -19.153 0.466 -3.901 1.00 0.71 C ATOM 0 H VAL A 17 -19.685 1.278 -6.554 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.778 -0.616 -5.809 1.00 0.77 H new ATOM 0 HB VAL A 17 -21.151 -0.020 -3.333 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -19.786 -2.063 -3.157 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -21.191 -2.292 -4.226 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -19.570 -2.064 -4.924 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -18.718 0.143 -2.955 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -18.459 0.247 -4.713 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -19.343 1.539 -3.865 1.00 0.71 H new ATOM 287 N GLU A 18 -22.850 1.439 -4.377 1.00 0.86 N ATOM 288 CA GLU A 18 -23.646 2.622 -4.077 1.00 0.91 C ATOM 289 C GLU A 18 -23.076 3.336 -2.851 1.00 0.89 C ATOM 290 O GLU A 18 -22.349 2.732 -2.067 1.00 0.85 O ATOM 291 CB GLU A 18 -25.112 2.241 -3.841 1.00 1.00 C ATOM 292 CG GLU A 18 -25.840 1.798 -5.105 1.00 1.11 C ATOM 293 CD GLU A 18 -25.619 2.743 -6.272 1.00 1.10 C ATOM 294 OE1 GLU A 18 -25.619 3.975 -6.062 1.00 1.29 O ATOM 295 OE2 GLU A 18 -25.441 2.261 -7.407 1.00 1.46 O ATOM 0 H GLU A 18 -23.122 0.605 -3.856 1.00 0.86 H new ATOM 0 HA GLU A 18 -23.604 3.298 -4.931 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -25.156 1.437 -3.106 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.636 3.095 -3.411 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -25.502 0.800 -5.383 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.908 1.727 -4.898 1.00 1.11 H new ATOM 302 N PRO A 19 -23.383 4.633 -2.668 1.00 0.95 N ATOM 303 CA PRO A 19 -22.888 5.405 -1.520 1.00 0.99 C ATOM 304 C PRO A 19 -23.447 4.894 -0.198 1.00 1.05 C ATOM 305 O PRO A 19 -22.831 5.059 0.858 1.00 1.09 O ATOM 306 CB PRO A 19 -23.388 6.834 -1.785 1.00 1.08 C ATOM 307 CG PRO A 19 -23.787 6.856 -3.220 1.00 1.07 C ATOM 308 CD PRO A 19 -24.221 5.458 -3.554 1.00 1.04 C ATOM 0 HA PRO A 19 -21.804 5.332 -1.429 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -24.231 7.081 -1.139 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -22.607 7.567 -1.584 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -24.597 7.566 -3.388 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -22.954 7.167 -3.851 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -25.283 5.308 -3.361 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -24.052 5.223 -4.605 1.00 1.04 H new ATOM 316 N SER A 20 -24.608 4.258 -0.275 1.00 1.11 N ATOM 317 CA SER A 20 -25.280 3.725 0.900 1.00 1.22 C ATOM 318 C SER A 20 -24.825 2.301 1.209 1.00 1.11 C ATOM 319 O SER A 20 -25.225 1.719 2.218 1.00 1.16 O ATOM 320 CB SER A 20 -26.790 3.758 0.671 1.00 1.42 C ATOM 321 OG SER A 20 -27.093 3.619 -0.711 1.00 1.61 O ATOM 0 H SER A 20 -25.108 4.098 -1.150 1.00 1.11 H new ATOM 0 HA SER A 20 -25.020 4.344 1.758 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.266 2.956 1.235 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.199 4.697 1.045 1.00 1.42 H new ATOM 0 HG SER A 20 -26.621 2.840 -1.073 1.00 1.61 H new ATOM 327 N ASP A 21 -23.987 1.743 0.347 1.00 0.99 N ATOM 328 CA ASP A 21 -23.491 0.389 0.546 1.00 0.91 C ATOM 329 C ASP A 21 -22.436 0.376 1.638 1.00 0.86 C ATOM 330 O ASP A 21 -21.519 1.202 1.644 1.00 0.89 O ATOM 331 CB ASP A 21 -22.906 -0.190 -0.746 1.00 0.87 C ATOM 332 CG ASP A 21 -23.969 -0.694 -1.707 1.00 0.92 C ATOM 333 OD1 ASP A 21 -25.045 -1.138 -1.249 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.727 -0.663 -2.930 1.00 1.32 O ATOM 0 H ASP A 21 -23.638 2.204 -0.493 1.00 0.99 H new ATOM 0 HA ASP A 21 -24.334 -0.234 0.845 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.309 0.575 -1.242 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -22.231 -1.009 -0.497 1.00 0.87 H new ATOM 339 N THR A 22 -22.578 -0.552 2.569 1.00 0.83 N ATOM 340 CA THR A 22 -21.645 -0.679 3.671 1.00 0.82 C ATOM 341 C THR A 22 -20.309 -1.228 3.184 1.00 0.76 C ATOM 342 O THR A 22 -20.245 -1.897 2.149 1.00 0.75 O ATOM 343 CB THR A 22 -22.219 -1.603 4.752 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.128 -2.536 4.151 1.00 1.00 O ATOM 345 CG2 THR A 22 -22.940 -0.801 5.824 1.00 1.13 C ATOM 0 H THR A 22 -23.338 -1.233 2.581 1.00 0.83 H new ATOM 0 HA THR A 22 -21.485 0.312 4.096 1.00 0.82 H new ATOM 0 HB THR A 22 -21.396 -2.141 5.222 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.114 -3.377 4.654 1.00 1.00 H new ATOM 0 HG21 THR A 22 -23.338 -1.479 6.579 1.00 1.13 H new ATOM 0 HG22 THR A 22 -22.241 -0.107 6.291 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.758 -0.241 5.371 1.00 1.13 H new ATOM 353 N ILE A 23 -19.246 -0.957 3.932 1.00 0.74 N ATOM 354 CA ILE A 23 -17.911 -1.418 3.563 1.00 0.69 C ATOM 355 C ILE A 23 -17.871 -2.942 3.437 1.00 0.67 C ATOM 356 O ILE A 23 -17.196 -3.484 2.561 1.00 0.63 O ATOM 357 CB ILE A 23 -16.845 -0.934 4.572 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.757 0.597 4.567 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.486 -1.551 4.271 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.489 1.201 3.204 1.00 0.69 C ATOM 0 H ILE A 23 -19.282 -0.420 4.798 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.676 -0.984 2.591 1.00 0.69 H new ATOM 0 HB ILE A 23 -17.148 -1.260 5.567 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.691 1.004 4.955 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -15.966 0.906 5.250 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.755 -1.193 4.996 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.558 -2.637 4.334 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -15.171 -1.265 3.267 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.442 2.287 3.290 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.540 0.826 2.820 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.292 0.926 2.520 1.00 0.69 H new ATOM 372 N GLU A 24 -18.606 -3.634 4.299 1.00 0.71 N ATOM 373 CA GLU A 24 -18.660 -5.093 4.246 1.00 0.72 C ATOM 374 C GLU A 24 -19.257 -5.549 2.919 1.00 0.71 C ATOM 375 O GLU A 24 -18.826 -6.552 2.344 1.00 0.71 O ATOM 376 CB GLU A 24 -19.476 -5.656 5.410 1.00 0.80 C ATOM 377 CG GLU A 24 -20.590 -4.738 5.874 1.00 0.95 C ATOM 378 CD GLU A 24 -21.941 -5.407 5.850 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.172 -6.323 6.665 1.00 1.14 O ATOM 380 OE2 GLU A 24 -22.779 -5.016 5.020 1.00 1.64 O ATOM 0 H GLU A 24 -19.169 -3.214 5.038 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.642 -5.473 4.329 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.906 -6.612 5.112 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -18.808 -5.854 6.248 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.376 -4.396 6.887 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -20.615 -3.853 5.238 1.00 0.95 H new ATOM 387 N ASN A 25 -20.233 -4.793 2.424 1.00 0.72 N ATOM 388 CA ASN A 25 -20.875 -5.102 1.154 1.00 0.73 C ATOM 389 C ASN A 25 -19.880 -4.895 0.020 1.00 0.69 C ATOM 390 O ASN A 25 -19.885 -5.628 -0.971 1.00 0.70 O ATOM 391 CB ASN A 25 -22.112 -4.223 0.949 1.00 0.79 C ATOM 392 CG ASN A 25 -22.904 -4.609 -0.286 1.00 0.86 C ATOM 393 OD1 ASN A 25 -23.646 -5.592 -0.276 1.00 0.96 O ATOM 394 ND2 ASN A 25 -22.768 -3.835 -1.351 1.00 0.97 N ATOM 0 H ASN A 25 -20.596 -3.960 2.886 1.00 0.72 H new ATOM 0 HA ASN A 25 -21.198 -6.143 1.161 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.755 -4.297 1.826 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.803 -3.181 0.867 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.288 -4.044 -2.203 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -22.143 -3.029 -1.320 1.00 0.97 H new ATOM 401 N VAL A 26 -19.013 -3.897 0.187 1.00 0.65 N ATOM 402 CA VAL A 26 -17.983 -3.601 -0.800 1.00 0.62 C ATOM 403 C VAL A 26 -16.951 -4.723 -0.810 1.00 0.58 C ATOM 404 O VAL A 26 -16.470 -5.133 -1.866 1.00 0.57 O ATOM 405 CB VAL A 26 -17.286 -2.250 -0.508 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.297 -1.894 -1.611 1.00 0.59 C ATOM 407 CG2 VAL A 26 -18.313 -1.139 -0.337 1.00 0.63 C ATOM 0 H VAL A 26 -19.006 -3.280 0.999 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.461 -3.526 -1.777 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.732 -2.356 0.425 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.822 -0.940 -1.380 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.536 -2.671 -1.682 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.825 -1.816 -2.561 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.801 -0.199 -0.133 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.899 -1.042 -1.251 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.975 -1.380 0.495 1.00 0.63 H new ATOM 417 N LYS A 27 -16.628 -5.224 0.382 1.00 0.57 N ATOM 418 CA LYS A 27 -15.682 -6.324 0.522 1.00 0.54 C ATOM 419 C LYS A 27 -16.182 -7.539 -0.251 1.00 0.55 C ATOM 420 O LYS A 27 -15.419 -8.208 -0.944 1.00 0.52 O ATOM 421 CB LYS A 27 -15.502 -6.707 1.995 1.00 0.59 C ATOM 422 CG LYS A 27 -14.624 -5.757 2.798 1.00 0.67 C ATOM 423 CD LYS A 27 -14.412 -6.286 4.211 1.00 0.82 C ATOM 424 CE LYS A 27 -13.358 -5.495 4.974 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.971 -6.175 6.241 1.00 1.08 N ATOM 0 H LYS A 27 -17.010 -4.883 1.264 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.722 -5.998 0.122 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -16.484 -6.757 2.466 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -15.072 -7.707 2.046 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.661 -5.636 2.301 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -15.088 -4.772 2.839 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -15.355 -6.249 4.756 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -14.113 -7.333 4.163 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -12.476 -5.364 4.347 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -13.741 -4.499 5.197 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.181 -5.662 6.683 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -13.783 -6.187 6.891 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -12.678 -7.151 6.035 1.00 1.08 H new ATOM 439 N ALA A 28 -17.483 -7.798 -0.133 1.00 0.63 N ATOM 440 CA ALA A 28 -18.114 -8.924 -0.811 1.00 0.68 C ATOM 441 C ALA A 28 -18.034 -8.774 -2.329 1.00 0.68 C ATOM 442 O ALA A 28 -18.015 -9.763 -3.058 1.00 0.75 O ATOM 443 CB ALA A 28 -19.564 -9.054 -0.363 1.00 0.75 C ATOM 0 H ALA A 28 -18.123 -7.238 0.430 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.574 -9.831 -0.540 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -20.028 -9.897 -0.874 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.599 -9.218 0.714 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -20.104 -8.139 -0.608 1.00 0.75 H new ATOM 449 N LYS A 29 -17.977 -7.535 -2.802 1.00 0.65 N ATOM 450 CA LYS A 29 -17.885 -7.279 -4.232 1.00 0.70 C ATOM 451 C LYS A 29 -16.516 -7.713 -4.750 1.00 0.67 C ATOM 452 O LYS A 29 -16.406 -8.339 -5.804 1.00 0.76 O ATOM 453 CB LYS A 29 -18.129 -5.797 -4.528 1.00 0.72 C ATOM 454 CG LYS A 29 -19.260 -5.544 -5.514 1.00 1.05 C ATOM 455 CD LYS A 29 -18.976 -6.176 -6.868 1.00 1.00 C ATOM 456 CE LYS A 29 -20.171 -6.063 -7.800 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.409 -4.662 -8.237 1.00 1.23 N ATOM 0 H LYS A 29 -17.993 -6.698 -2.220 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.653 -7.858 -4.745 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -18.352 -5.282 -3.594 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.212 -5.359 -4.922 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -20.190 -5.946 -5.112 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -19.403 -4.470 -5.636 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -18.112 -5.691 -7.323 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.717 -7.226 -6.733 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -20.009 -6.693 -8.675 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.060 -6.441 -7.296 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -20.985 -4.662 -9.103 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.911 -4.145 -7.487 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -19.498 -4.198 -8.427 1.00 1.23 H new ATOM 471 N ILE A 30 -15.474 -7.393 -3.985 1.00 0.57 N ATOM 472 CA ILE A 30 -14.111 -7.767 -4.353 1.00 0.55 C ATOM 473 C ILE A 30 -13.934 -9.271 -4.169 1.00 0.61 C ATOM 474 O ILE A 30 -13.200 -9.931 -4.907 1.00 0.65 O ATOM 475 CB ILE A 30 -13.058 -7.027 -3.497 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.486 -5.579 -3.243 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.701 -7.065 -4.186 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.659 -4.878 -2.187 1.00 0.45 C ATOM 0 H ILE A 30 -15.548 -6.877 -3.108 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.958 -7.485 -5.395 1.00 0.55 H new ATOM 0 HB ILE A 30 -12.979 -7.533 -2.535 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.418 -5.020 -4.176 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.533 -5.566 -2.940 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.967 -6.541 -3.574 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.389 -8.101 -4.319 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.774 -6.581 -5.160 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -13.019 -3.857 -2.061 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.747 -5.413 -1.242 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.614 -4.858 -2.497 1.00 0.45 H new ATOM 490 N GLN A 31 -14.647 -9.794 -3.181 1.00 0.64 N ATOM 491 CA GLN A 31 -14.624 -11.212 -2.854 1.00 0.74 C ATOM 492 C GLN A 31 -15.190 -12.046 -4.000 1.00 0.81 C ATOM 493 O GLN A 31 -14.750 -13.167 -4.245 1.00 0.87 O ATOM 494 CB GLN A 31 -15.447 -11.447 -1.587 1.00 0.80 C ATOM 495 CG GLN A 31 -15.261 -12.818 -0.963 1.00 1.04 C ATOM 496 CD GLN A 31 -16.336 -13.140 0.056 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.959 -12.248 0.627 1.00 0.95 O ATOM 498 NE2 GLN A 31 -16.551 -14.420 0.302 1.00 1.53 N ATOM 0 H GLN A 31 -15.261 -9.243 -2.581 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.591 -11.518 -2.690 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -15.183 -10.688 -0.851 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -16.502 -11.309 -1.823 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -15.269 -13.575 -1.747 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -14.283 -12.866 -0.483 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -16.013 -15.132 -0.193 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -17.255 -14.697 0.987 1.00 1.53 H new ATOM 507 N ASP A 32 -16.160 -11.482 -4.702 1.00 0.85 N ATOM 508 CA ASP A 32 -16.798 -12.169 -5.817 1.00 0.94 C ATOM 509 C ASP A 32 -16.028 -11.942 -7.114 1.00 0.97 C ATOM 510 O ASP A 32 -16.000 -12.808 -7.988 1.00 1.05 O ATOM 511 CB ASP A 32 -18.240 -11.683 -5.970 1.00 1.01 C ATOM 512 CG ASP A 32 -19.064 -12.562 -6.888 1.00 1.17 C ATOM 513 OD1 ASP A 32 -19.282 -13.750 -6.555 1.00 1.33 O ATOM 514 OD2 ASP A 32 -19.524 -12.061 -7.938 1.00 1.32 O ATOM 0 H ASP A 32 -16.525 -10.547 -4.520 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.798 -13.238 -5.606 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.712 -11.648 -4.988 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -18.236 -10.664 -6.358 1.00 1.01 H new ATOM 519 N LYS A 33 -15.401 -10.777 -7.239 1.00 0.95 N ATOM 520 CA LYS A 33 -14.635 -10.445 -8.438 1.00 1.02 C ATOM 521 C LYS A 33 -13.269 -11.126 -8.447 1.00 0.98 C ATOM 522 O LYS A 33 -13.005 -12.001 -9.273 1.00 1.14 O ATOM 523 CB LYS A 33 -14.437 -8.936 -8.550 1.00 1.02 C ATOM 524 CG LYS A 33 -15.629 -8.193 -9.127 1.00 1.05 C ATOM 525 CD LYS A 33 -15.245 -6.781 -9.543 1.00 1.15 C ATOM 526 CE LYS A 33 -16.406 -6.040 -10.185 1.00 1.33 C ATOM 527 NZ LYS A 33 -15.958 -4.789 -10.862 1.00 1.55 N ATOM 0 H LYS A 33 -15.407 -10.047 -6.527 1.00 0.95 H new ATOM 0 HA LYS A 33 -15.210 -10.808 -9.290 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -14.218 -8.535 -7.560 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -13.565 -8.741 -9.174 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -16.018 -8.736 -9.988 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.429 -8.153 -8.388 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -14.900 -6.227 -8.670 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -14.411 -6.824 -10.243 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -16.896 -6.690 -10.910 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -17.147 -5.796 -9.424 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -16.784 -4.286 -11.244 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -15.468 -4.180 -10.176 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -15.309 -5.028 -11.639 1.00 1.55 H new ATOM 541 N GLU A 34 -12.404 -10.714 -7.525 1.00 0.84 N ATOM 542 CA GLU A 34 -11.055 -11.258 -7.436 1.00 0.82 C ATOM 543 C GLU A 34 -11.045 -12.580 -6.683 1.00 0.82 C ATOM 544 O GLU A 34 -10.344 -13.517 -7.062 1.00 1.08 O ATOM 545 CB GLU A 34 -10.121 -10.258 -6.748 1.00 0.75 C ATOM 546 CG GLU A 34 -9.967 -8.946 -7.506 1.00 1.08 C ATOM 547 CD GLU A 34 -9.178 -9.100 -8.791 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.957 -9.340 -8.714 1.00 1.88 O ATOM 549 OE2 GLU A 34 -9.776 -8.979 -9.885 1.00 2.06 O ATOM 0 H GLU A 34 -12.616 -10.002 -6.826 1.00 0.84 H new ATOM 0 HA GLU A 34 -10.700 -11.439 -8.450 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.501 -10.048 -5.748 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.139 -10.715 -6.627 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -10.955 -8.547 -7.737 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -9.471 -8.217 -6.865 1.00 1.08 H new ATOM 556 N GLY A 35 -11.830 -12.655 -5.620 1.00 0.96 N ATOM 557 CA GLY A 35 -11.890 -13.870 -4.832 1.00 0.98 C ATOM 558 C GLY A 35 -11.137 -13.745 -3.524 1.00 0.87 C ATOM 559 O GLY A 35 -10.647 -14.735 -2.983 1.00 1.01 O ATOM 0 H GLY A 35 -12.427 -11.897 -5.288 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -12.932 -14.116 -4.627 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -11.475 -14.696 -5.410 1.00 0.98 H new ATOM 563 N ILE A 36 -11.032 -12.523 -3.022 1.00 0.83 N ATOM 564 CA ILE A 36 -10.334 -12.266 -1.771 1.00 0.72 C ATOM 565 C ILE A 36 -11.339 -12.189 -0.625 1.00 0.68 C ATOM 566 O ILE A 36 -12.284 -11.403 -0.685 1.00 0.71 O ATOM 567 CB ILE A 36 -9.532 -10.946 -1.840 1.00 0.70 C ATOM 568 CG1 ILE A 36 -8.654 -10.923 -3.096 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.678 -10.766 -0.589 1.00 0.66 C ATOM 570 CD1 ILE A 36 -8.009 -9.578 -3.362 1.00 0.88 C ATOM 0 H ILE A 36 -11.423 -11.691 -3.464 1.00 0.83 H new ATOM 0 HA ILE A 36 -9.636 -13.086 -1.598 1.00 0.72 H new ATOM 0 HB ILE A 36 -10.238 -10.117 -1.892 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -7.873 -11.677 -2.997 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -9.260 -11.202 -3.958 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -8.122 -9.831 -0.659 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.322 -10.741 0.290 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.979 -11.598 -0.503 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -7.403 -9.638 -4.266 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -8.784 -8.823 -3.493 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -7.376 -9.305 -2.518 1.00 0.88 H new ATOM 582 N PRO A 37 -11.167 -13.018 0.419 1.00 0.70 N ATOM 583 CA PRO A 37 -12.070 -13.031 1.578 1.00 0.76 C ATOM 584 C PRO A 37 -12.087 -11.694 2.323 1.00 0.68 C ATOM 585 O PRO A 37 -11.083 -10.980 2.370 1.00 0.66 O ATOM 586 CB PRO A 37 -11.502 -14.140 2.476 1.00 0.91 C ATOM 587 CG PRO A 37 -10.098 -14.339 2.015 1.00 0.86 C ATOM 588 CD PRO A 37 -10.087 -14.009 0.552 1.00 0.75 C ATOM 0 HA PRO A 37 -13.104 -13.201 1.278 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -11.534 -13.850 3.526 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -12.081 -15.058 2.381 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -9.413 -13.694 2.565 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.774 -15.366 2.185 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -9.126 -13.601 0.239 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.273 -14.891 -0.061 1.00 0.75 H new ATOM 596 N PRO A 38 -13.234 -11.344 2.931 1.00 0.67 N ATOM 597 CA PRO A 38 -13.403 -10.082 3.668 1.00 0.65 C ATOM 598 C PRO A 38 -12.488 -9.976 4.889 1.00 0.74 C ATOM 599 O PRO A 38 -12.213 -8.875 5.378 1.00 0.75 O ATOM 600 CB PRO A 38 -14.870 -10.113 4.110 1.00 0.70 C ATOM 601 CG PRO A 38 -15.265 -11.550 4.059 1.00 0.76 C ATOM 602 CD PRO A 38 -14.462 -12.161 2.950 1.00 0.73 C ATOM 0 HA PRO A 38 -13.144 -9.224 3.047 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.987 -9.708 5.115 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.493 -9.510 3.449 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.059 -12.045 5.008 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -16.333 -11.654 3.870 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.244 -13.211 3.143 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.991 -12.115 1.998 1.00 0.73 H new ATOM 610 N ASP A 39 -12.022 -11.121 5.366 1.00 0.85 N ATOM 611 CA ASP A 39 -11.144 -11.181 6.530 1.00 1.00 C ATOM 612 C ASP A 39 -9.755 -10.658 6.189 1.00 0.95 C ATOM 613 O ASP A 39 -9.174 -9.874 6.938 1.00 1.05 O ATOM 614 CB ASP A 39 -11.035 -12.620 7.044 1.00 1.20 C ATOM 615 CG ASP A 39 -12.383 -13.264 7.288 1.00 1.18 C ATOM 616 OD1 ASP A 39 -13.062 -13.628 6.306 1.00 1.57 O ATOM 617 OD2 ASP A 39 -12.774 -13.415 8.466 1.00 1.53 O ATOM 0 H ASP A 39 -12.239 -12.032 4.961 1.00 0.85 H new ATOM 0 HA ASP A 39 -11.577 -10.552 7.308 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -10.479 -13.217 6.321 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -10.462 -12.626 7.971 1.00 1.20 H new ATOM 622 N GLN A 40 -9.228 -11.090 5.049 1.00 0.91 N ATOM 623 CA GLN A 40 -7.897 -10.669 4.616 1.00 0.94 C ATOM 624 C GLN A 40 -7.962 -9.350 3.855 1.00 0.84 C ATOM 625 O GLN A 40 -6.932 -8.794 3.466 1.00 0.93 O ATOM 626 CB GLN A 40 -7.245 -11.744 3.742 1.00 1.05 C ATOM 627 CG GLN A 40 -6.608 -12.886 4.526 1.00 1.25 C ATOM 628 CD GLN A 40 -7.612 -13.926 4.979 1.00 1.38 C ATOM 629 OE1 GLN A 40 -7.937 -14.850 4.239 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.095 -13.799 6.204 1.00 1.60 N ATOM 0 H GLN A 40 -9.699 -11.729 4.409 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.288 -10.525 5.509 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.998 -12.155 3.070 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.483 -11.276 3.119 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -5.850 -13.366 3.907 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -6.096 -12.479 5.398 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -7.801 -13.017 6.790 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -8.761 -14.483 6.563 1.00 1.60 H new ATOM 639 N GLN A 41 -9.179 -8.858 3.658 1.00 0.75 N ATOM 640 CA GLN A 41 -9.408 -7.609 2.944 1.00 0.70 C ATOM 641 C GLN A 41 -9.035 -6.414 3.817 1.00 0.60 C ATOM 642 O GLN A 41 -9.874 -5.865 4.538 1.00 0.68 O ATOM 643 CB GLN A 41 -10.873 -7.500 2.518 1.00 0.73 C ATOM 644 CG GLN A 41 -11.072 -6.736 1.220 1.00 0.74 C ATOM 645 CD GLN A 41 -11.117 -7.646 0.005 1.00 0.74 C ATOM 646 OE1 GLN A 41 -10.628 -7.295 -1.064 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.719 -8.815 0.155 1.00 0.87 N ATOM 0 H GLN A 41 -10.031 -9.312 3.987 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.777 -7.605 2.055 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -11.286 -8.502 2.407 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -11.438 -7.008 3.310 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -12.000 -6.167 1.277 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -10.263 -6.016 1.100 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -12.114 -9.073 1.059 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -11.788 -9.458 -0.634 1.00 0.87 H new ATOM 656 N ARG A 42 -7.769 -6.034 3.760 1.00 0.54 N ATOM 657 CA ARG A 42 -7.269 -4.907 4.531 1.00 0.55 C ATOM 658 C ARG A 42 -7.238 -3.652 3.663 1.00 0.47 C ATOM 659 O ARG A 42 -6.288 -3.416 2.914 1.00 0.51 O ATOM 660 CB ARG A 42 -5.876 -5.229 5.080 1.00 0.71 C ATOM 661 CG ARG A 42 -5.255 -4.117 5.912 1.00 0.83 C ATOM 662 CD ARG A 42 -4.028 -4.620 6.657 1.00 1.06 C ATOM 663 NE ARG A 42 -3.115 -3.544 7.023 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.181 -2.859 8.164 1.00 0.94 C ATOM 665 NH1 ARG A 42 -4.109 -3.148 9.067 1.00 1.58 N ATOM 666 NH2 ARG A 42 -2.310 -1.897 8.411 1.00 1.55 N ATOM 0 H ARG A 42 -7.064 -6.493 3.183 1.00 0.54 H new ATOM 0 HA ARG A 42 -7.936 -4.722 5.373 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -5.939 -6.130 5.690 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.213 -5.455 4.245 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -4.977 -3.285 5.265 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -5.988 -3.737 6.624 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.344 -5.145 7.558 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -3.501 -5.343 6.035 1.00 1.06 H new ATOM 0 HE ARG A 42 -2.377 -3.300 6.362 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -4.777 -3.898 8.890 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -4.154 -2.620 9.939 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -1.585 -1.677 7.728 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -2.362 -1.374 9.285 1.00 1.55 H new ATOM 680 N LEU A 43 -8.301 -2.865 3.760 1.00 0.47 N ATOM 681 CA LEU A 43 -8.431 -1.635 2.986 1.00 0.43 C ATOM 682 C LEU A 43 -8.003 -0.421 3.804 1.00 0.47 C ATOM 683 O LEU A 43 -8.516 -0.183 4.900 1.00 0.55 O ATOM 684 CB LEU A 43 -9.879 -1.457 2.522 1.00 0.44 C ATOM 685 CG LEU A 43 -10.331 -2.415 1.420 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.848 -2.530 1.401 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.812 -1.938 0.072 1.00 0.40 C ATOM 0 H LEU A 43 -9.093 -3.058 4.373 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.776 -1.714 2.118 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.537 -1.581 3.382 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -10.007 -0.434 2.168 1.00 0.44 H new ATOM 0 HG LEU A 43 -9.919 -3.404 1.623 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.151 -3.216 0.610 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.196 -2.908 2.362 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.285 -1.549 1.217 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -10.138 -2.626 -0.708 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -10.202 -0.942 -0.136 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.723 -1.904 0.093 1.00 0.40 H new ATOM 699 N ILE A 44 -7.059 0.338 3.264 1.00 0.45 N ATOM 700 CA ILE A 44 -6.558 1.534 3.928 1.00 0.50 C ATOM 701 C ILE A 44 -6.866 2.768 3.084 1.00 0.52 C ATOM 702 O ILE A 44 -6.542 2.815 1.896 1.00 0.52 O ATOM 703 CB ILE A 44 -5.032 1.455 4.181 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.673 0.157 4.914 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.562 2.669 4.977 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.182 -0.037 5.115 1.00 0.62 C ATOM 0 H ILE A 44 -6.623 0.145 2.363 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.060 1.607 4.893 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.522 1.455 3.218 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.166 0.151 5.886 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.068 -0.689 4.351 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.488 2.599 5.147 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.783 3.578 4.418 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.080 2.698 5.936 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.005 -0.976 5.640 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.685 -0.064 4.145 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.784 0.789 5.704 1.00 0.62 H new ATOM 718 N PHE A 45 -7.505 3.755 3.698 1.00 0.56 N ATOM 719 CA PHE A 45 -7.857 4.988 3.008 1.00 0.59 C ATOM 720 C PHE A 45 -7.703 6.178 3.946 1.00 0.68 C ATOM 721 O PHE A 45 -8.203 6.156 5.068 1.00 0.72 O ATOM 722 CB PHE A 45 -9.295 4.913 2.481 1.00 0.65 C ATOM 723 CG PHE A 45 -9.744 6.158 1.765 1.00 0.73 C ATOM 724 CD1 PHE A 45 -9.196 6.508 0.540 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.712 6.980 2.321 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.608 7.654 -0.116 1.00 0.92 C ATOM 727 CE2 PHE A 45 -11.127 8.124 1.671 1.00 0.96 C ATOM 728 CZ PHE A 45 -10.573 8.463 0.450 1.00 0.98 C ATOM 0 H PHE A 45 -7.791 3.725 4.677 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.182 5.118 2.162 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.380 4.064 1.803 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.969 4.722 3.316 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.440 5.879 0.094 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -11.147 6.722 3.275 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -9.175 7.916 -1.070 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -11.884 8.754 2.115 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.895 9.359 -0.060 1.00 0.98 H new ATOM 738 N ALA A 46 -6.978 7.197 3.484 1.00 0.79 N ATOM 739 CA ALA A 46 -6.745 8.421 4.258 1.00 0.95 C ATOM 740 C ALA A 46 -6.056 8.132 5.593 1.00 0.94 C ATOM 741 O ALA A 46 -6.221 8.870 6.562 1.00 1.10 O ATOM 742 CB ALA A 46 -8.057 9.168 4.472 1.00 1.05 C ATOM 0 H ALA A 46 -6.536 7.199 2.565 1.00 0.79 H new ATOM 0 HA ALA A 46 -6.070 9.054 3.682 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -7.870 10.074 5.048 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -8.486 9.434 3.506 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -8.754 8.530 5.016 1.00 1.05 H new ATOM 748 N GLY A 47 -5.280 7.054 5.634 1.00 0.93 N ATOM 749 CA GLY A 47 -4.572 6.691 6.849 1.00 0.93 C ATOM 750 C GLY A 47 -5.452 5.964 7.846 1.00 0.82 C ATOM 751 O GLY A 47 -5.046 5.716 8.980 1.00 0.91 O ATOM 0 H GLY A 47 -5.128 6.424 4.846 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.721 6.059 6.594 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -4.172 7.592 7.314 1.00 0.93 H new ATOM 755 N LYS A 48 -6.655 5.622 7.426 1.00 0.78 N ATOM 756 CA LYS A 48 -7.594 4.926 8.286 1.00 0.77 C ATOM 757 C LYS A 48 -8.064 3.644 7.614 1.00 0.68 C ATOM 758 O LYS A 48 -8.066 3.549 6.386 1.00 0.61 O ATOM 759 CB LYS A 48 -8.796 5.827 8.578 1.00 0.91 C ATOM 760 CG LYS A 48 -9.455 5.566 9.925 1.00 1.51 C ATOM 761 CD LYS A 48 -8.650 6.172 11.061 1.00 2.12 C ATOM 762 CE LYS A 48 -9.413 6.120 12.374 1.00 2.92 C ATOM 763 NZ LYS A 48 -8.691 6.831 13.460 1.00 3.57 N ATOM 0 H LYS A 48 -7.007 5.816 6.489 1.00 0.78 H new ATOM 0 HA LYS A 48 -7.097 4.675 9.223 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.475 6.868 8.538 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -9.537 5.692 7.791 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -10.462 5.984 9.927 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -9.556 4.492 10.081 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -7.707 5.636 11.166 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -8.404 7.207 10.823 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -10.398 6.566 12.240 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -9.570 5.081 12.662 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -9.243 6.773 14.340 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -7.761 6.389 13.606 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -8.563 7.829 13.196 1.00 3.57 H new ATOM 777 N GLN A 49 -8.443 2.656 8.406 1.00 0.77 N ATOM 778 CA GLN A 49 -8.937 1.406 7.855 1.00 0.74 C ATOM 779 C GLN A 49 -10.448 1.502 7.687 1.00 0.72 C ATOM 780 O GLN A 49 -11.129 2.134 8.497 1.00 0.78 O ATOM 781 CB GLN A 49 -8.557 0.211 8.741 1.00 0.80 C ATOM 782 CG GLN A 49 -9.096 0.282 10.161 1.00 1.06 C ATOM 783 CD GLN A 49 -8.769 -0.962 10.969 1.00 1.51 C ATOM 784 OE1 GLN A 49 -7.728 -1.594 10.772 1.00 1.83 O ATOM 785 NE2 GLN A 49 -9.656 -1.328 11.878 1.00 2.01 N ATOM 0 H GLN A 49 -8.419 2.694 9.425 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.473 1.239 6.883 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.922 -0.703 8.273 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.470 0.136 8.782 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -8.680 1.156 10.661 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -10.177 0.417 10.130 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -10.505 -0.779 12.012 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -9.491 -2.159 12.446 1.00 2.01 H new ATOM 794 N LEU A 50 -10.967 0.901 6.631 1.00 0.68 N ATOM 795 CA LEU A 50 -12.396 0.945 6.364 1.00 0.68 C ATOM 796 C LEU A 50 -13.146 -0.072 7.210 1.00 0.71 C ATOM 797 O LEU A 50 -13.072 -1.277 6.961 1.00 0.69 O ATOM 798 CB LEU A 50 -12.670 0.692 4.881 1.00 0.64 C ATOM 799 CG LEU A 50 -11.969 1.643 3.911 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.404 1.356 2.486 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.252 3.092 4.270 1.00 0.72 C ATOM 0 H LEU A 50 -10.423 0.378 5.945 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.753 1.940 6.629 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.370 -0.328 4.643 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.745 0.756 4.712 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.894 1.479 3.990 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.897 2.041 1.806 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -12.146 0.329 2.227 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.482 1.492 2.400 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.742 3.748 3.565 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.326 3.275 4.224 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.892 3.294 5.279 1.00 0.72 H new ATOM 813 N GLU A 51 -13.849 0.414 8.225 1.00 0.76 N ATOM 814 CA GLU A 51 -14.629 -0.454 9.094 1.00 0.79 C ATOM 815 C GLU A 51 -15.839 -0.972 8.327 1.00 0.76 C ATOM 816 O GLU A 51 -16.527 -0.201 7.662 1.00 0.77 O ATOM 817 CB GLU A 51 -15.080 0.300 10.350 1.00 0.88 C ATOM 818 CG GLU A 51 -13.985 1.147 10.984 1.00 0.94 C ATOM 819 CD GLU A 51 -14.411 1.792 12.289 1.00 1.04 C ATOM 820 OE1 GLU A 51 -15.341 2.626 12.281 1.00 1.33 O ATOM 821 OE2 GLU A 51 -13.809 1.474 13.336 1.00 1.25 O ATOM 0 H GLU A 51 -13.894 1.404 8.466 1.00 0.76 H new ATOM 0 HA GLU A 51 -14.009 -1.293 9.410 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.922 0.943 10.094 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.441 -0.420 11.085 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -13.109 0.523 11.163 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.684 1.925 10.283 1.00 0.94 H new ATOM 828 N ASP A 52 -16.098 -2.270 8.426 1.00 0.77 N ATOM 829 CA ASP A 52 -17.210 -2.896 7.705 1.00 0.77 C ATOM 830 C ASP A 52 -18.554 -2.225 7.991 1.00 0.82 C ATOM 831 O ASP A 52 -19.406 -2.142 7.106 1.00 0.81 O ATOM 832 CB ASP A 52 -17.295 -4.393 8.029 1.00 0.81 C ATOM 833 CG ASP A 52 -17.148 -4.697 9.502 1.00 1.32 C ATOM 834 OD1 ASP A 52 -18.137 -4.569 10.243 1.00 1.66 O ATOM 835 OD2 ASP A 52 -16.031 -5.067 9.923 1.00 1.87 O ATOM 0 H ASP A 52 -15.554 -2.915 8.999 1.00 0.77 H new ATOM 0 HA ASP A 52 -17.001 -2.765 6.643 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -18.253 -4.779 7.680 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -16.518 -4.921 7.477 1.00 0.81 H new ATOM 840 N GLY A 53 -18.732 -1.724 9.208 1.00 0.93 N ATOM 841 CA GLY A 53 -19.987 -1.084 9.572 1.00 1.01 C ATOM 842 C GLY A 53 -20.119 0.333 9.043 1.00 0.95 C ATOM 843 O GLY A 53 -21.159 0.967 9.218 1.00 1.04 O ATOM 0 H GLY A 53 -18.032 -1.748 9.950 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.815 -1.683 9.193 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -20.076 -1.068 10.658 1.00 1.01 H new ATOM 847 N ARG A 54 -19.074 0.833 8.399 1.00 0.92 N ATOM 848 CA ARG A 54 -19.092 2.181 7.851 1.00 0.87 C ATOM 849 C ARG A 54 -19.561 2.165 6.399 1.00 0.83 C ATOM 850 O ARG A 54 -19.790 1.102 5.819 1.00 0.82 O ATOM 851 CB ARG A 54 -17.701 2.815 7.936 1.00 0.87 C ATOM 852 CG ARG A 54 -17.175 2.957 9.352 1.00 0.92 C ATOM 853 CD ARG A 54 -17.675 4.225 10.022 1.00 1.02 C ATOM 854 NE ARG A 54 -17.018 4.452 11.307 1.00 1.23 N ATOM 855 CZ ARG A 54 -17.107 5.580 12.010 1.00 1.64 C ATOM 856 NH1 ARG A 54 -17.811 6.609 11.553 1.00 1.89 N ATOM 857 NH2 ARG A 54 -16.481 5.684 13.171 1.00 1.95 N ATOM 0 H ARG A 54 -18.203 0.325 8.243 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.789 2.775 8.441 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -17.001 2.211 7.358 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.732 3.800 7.470 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.481 2.092 9.940 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -16.085 2.962 9.335 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.497 5.078 9.367 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.753 4.157 10.171 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.453 3.695 11.692 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -18.290 6.540 10.655 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -17.872 7.468 12.100 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -15.932 4.901 13.526 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -16.548 6.547 13.711 1.00 1.95 H new ATOM 871 N THR A 55 -19.699 3.348 5.822 1.00 0.84 N ATOM 872 CA THR A 55 -20.132 3.484 4.439 1.00 0.82 C ATOM 873 C THR A 55 -19.175 4.393 3.673 1.00 0.80 C ATOM 874 O THR A 55 -18.217 4.919 4.247 1.00 0.83 O ATOM 875 CB THR A 55 -21.558 4.063 4.366 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.744 5.028 5.412 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.602 2.962 4.493 1.00 0.85 C ATOM 0 H THR A 55 -19.516 4.234 6.293 1.00 0.84 H new ATOM 0 HA THR A 55 -20.131 2.492 3.986 1.00 0.82 H new ATOM 0 HB THR A 55 -21.682 4.544 3.396 1.00 0.89 H new ATOM 0 HG1 THR A 55 -22.651 5.395 5.361 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.599 3.398 4.438 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.475 2.245 3.682 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.480 2.454 5.450 1.00 0.85 H new ATOM 885 N LEU A 56 -19.433 4.588 2.385 1.00 0.78 N ATOM 886 CA LEU A 56 -18.581 5.438 1.560 1.00 0.77 C ATOM 887 C LEU A 56 -18.699 6.904 1.980 1.00 0.83 C ATOM 888 O LEU A 56 -17.701 7.620 2.064 1.00 0.88 O ATOM 889 CB LEU A 56 -18.943 5.293 0.079 1.00 0.77 C ATOM 890 CG LEU A 56 -18.849 3.872 -0.487 1.00 0.73 C ATOM 891 CD1 LEU A 56 -19.175 3.868 -1.970 1.00 0.91 C ATOM 892 CD2 LEU A 56 -17.464 3.283 -0.255 1.00 1.12 C ATOM 0 H LEU A 56 -20.222 4.171 1.890 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.550 5.115 1.706 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.960 5.656 -0.066 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -18.287 5.941 -0.502 1.00 0.77 H new ATOM 0 HG LEU A 56 -19.578 3.253 0.036 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -19.103 2.851 -2.356 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -20.187 4.243 -2.121 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.469 4.507 -2.500 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -17.424 2.274 -0.666 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.717 3.905 -0.747 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -17.258 3.247 0.815 1.00 1.12 H new ATOM 904 N SER A 57 -19.922 7.340 2.259 1.00 0.84 N ATOM 905 CA SER A 57 -20.166 8.719 2.663 1.00 0.90 C ATOM 906 C SER A 57 -19.658 8.970 4.084 1.00 0.95 C ATOM 907 O SER A 57 -19.432 10.111 4.479 1.00 1.03 O ATOM 908 CB SER A 57 -21.661 9.038 2.570 1.00 0.93 C ATOM 909 OG SER A 57 -21.887 10.436 2.492 1.00 1.15 O ATOM 0 H SER A 57 -20.759 6.759 2.213 1.00 0.84 H new ATOM 0 HA SER A 57 -19.620 9.376 1.986 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.085 8.550 1.693 1.00 0.93 H new ATOM 0 HB3 SER A 57 -22.176 8.632 3.441 1.00 0.93 H new ATOM 0 HG SER A 57 -22.850 10.609 2.432 1.00 1.15 H new ATOM 915 N ASP A 58 -19.464 7.892 4.834 1.00 0.93 N ATOM 916 CA ASP A 58 -18.989 7.981 6.214 1.00 0.99 C ATOM 917 C ASP A 58 -17.601 8.610 6.279 1.00 0.99 C ATOM 918 O ASP A 58 -17.352 9.509 7.078 1.00 1.06 O ATOM 919 CB ASP A 58 -18.950 6.594 6.849 1.00 1.04 C ATOM 920 CG ASP A 58 -19.657 6.544 8.184 1.00 1.27 C ATOM 921 OD1 ASP A 58 -19.049 6.936 9.200 1.00 1.45 O ATOM 922 OD2 ASP A 58 -20.821 6.098 8.223 1.00 1.93 O ATOM 0 H ASP A 58 -19.629 6.939 4.509 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.683 8.615 6.766 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -19.411 5.875 6.171 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -17.912 6.288 6.980 1.00 1.04 H new ATOM 927 N TYR A 59 -16.708 8.138 5.417 1.00 0.95 N ATOM 928 CA TYR A 59 -15.341 8.648 5.372 1.00 0.97 C ATOM 929 C TYR A 59 -15.238 9.844 4.430 1.00 1.00 C ATOM 930 O TYR A 59 -14.142 10.342 4.174 1.00 1.06 O ATOM 931 CB TYR A 59 -14.375 7.554 4.902 1.00 0.94 C ATOM 932 CG TYR A 59 -14.188 6.418 5.882 1.00 0.89 C ATOM 933 CD1 TYR A 59 -13.279 6.520 6.927 1.00 0.91 C ATOM 934 CD2 TYR A 59 -14.904 5.236 5.750 1.00 0.87 C ATOM 935 CE1 TYR A 59 -13.088 5.477 7.813 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.722 4.190 6.634 1.00 0.88 C ATOM 937 CZ TYR A 59 -13.813 4.314 7.662 1.00 0.88 C ATOM 938 OH TYR A 59 -13.625 3.271 8.534 1.00 0.93 O ATOM 0 H TYR A 59 -16.905 7.402 4.739 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.071 8.963 6.380 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -14.739 7.147 3.959 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.404 8.007 4.701 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -12.711 7.431 7.049 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.615 5.132 4.943 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -12.375 5.572 8.619 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -15.290 3.279 6.520 1.00 0.88 H new ATOM 0 HH TYR A 59 -12.692 2.975 8.493 1.00 0.93 H new ATOM 948 N ASN A 60 -16.388 10.294 3.925 1.00 0.98 N ATOM 949 CA ASN A 60 -16.446 11.422 2.992 1.00 1.03 C ATOM 950 C ASN A 60 -15.610 11.115 1.753 1.00 1.00 C ATOM 951 O ASN A 60 -14.876 11.964 1.246 1.00 1.07 O ATOM 952 CB ASN A 60 -15.973 12.720 3.665 1.00 1.14 C ATOM 953 CG ASN A 60 -16.546 13.966 3.008 1.00 1.17 C ATOM 954 OD1 ASN A 60 -15.891 14.620 2.195 1.00 1.43 O ATOM 955 ND2 ASN A 60 -17.777 14.307 3.357 1.00 1.27 N ATOM 0 H ASN A 60 -17.298 9.891 4.148 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.482 11.568 2.688 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -16.260 12.704 4.716 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -14.884 12.765 3.632 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -18.212 15.135 2.949 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -18.290 13.742 4.034 1.00 1.27 H new ATOM 962 N ILE A 61 -15.730 9.880 1.278 1.00 0.92 N ATOM 963 CA ILE A 61 -14.993 9.431 0.108 1.00 0.90 C ATOM 964 C ILE A 61 -15.454 10.177 -1.136 1.00 0.96 C ATOM 965 O ILE A 61 -16.635 10.153 -1.484 1.00 1.00 O ATOM 966 CB ILE A 61 -15.152 7.908 -0.107 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.606 7.144 1.104 1.00 0.81 C ATOM 968 CG2 ILE A 61 -14.448 7.467 -1.382 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.699 5.637 0.975 1.00 0.77 C ATOM 0 H ILE A 61 -16.335 9.170 1.690 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.939 9.646 0.283 1.00 0.90 H new ATOM 0 HB ILE A 61 -16.213 7.682 -0.212 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.563 7.422 1.256 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -15.152 7.457 1.994 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -14.573 6.392 -1.513 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.880 7.989 -2.236 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -13.386 7.703 -1.312 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -14.293 5.169 1.872 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.743 5.346 0.855 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -14.129 5.310 0.105 1.00 0.77 H new ATOM 981 N GLN A 62 -14.519 10.850 -1.786 1.00 1.01 N ATOM 982 CA GLN A 62 -14.819 11.603 -2.990 1.00 1.09 C ATOM 983 C GLN A 62 -14.681 10.709 -4.214 1.00 1.01 C ATOM 984 O GLN A 62 -14.114 9.621 -4.133 1.00 0.95 O ATOM 985 CB GLN A 62 -13.879 12.800 -3.116 1.00 1.21 C ATOM 986 CG GLN A 62 -14.533 14.030 -3.719 1.00 1.47 C ATOM 987 CD GLN A 62 -13.533 15.127 -4.019 1.00 1.79 C ATOM 988 OE1 GLN A 62 -12.988 15.201 -5.117 1.00 2.18 O ATOM 989 NE2 GLN A 62 -13.276 15.982 -3.042 1.00 2.18 N ATOM 0 H GLN A 62 -13.542 10.889 -1.497 1.00 1.01 H new ATOM 0 HA GLN A 62 -15.845 11.965 -2.926 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -13.492 13.052 -2.129 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -13.024 12.516 -3.730 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -15.048 13.751 -4.638 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -15.289 14.410 -3.032 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -13.750 15.887 -2.144 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -12.604 16.736 -3.187 1.00 2.18 H new ATOM 998 N LYS A 63 -15.199 11.176 -5.341 1.00 1.04 N ATOM 999 CA LYS A 63 -15.132 10.433 -6.593 1.00 1.05 C ATOM 1000 C LYS A 63 -13.682 10.257 -7.041 1.00 0.99 C ATOM 1001 O LYS A 63 -12.819 11.072 -6.700 1.00 1.00 O ATOM 1002 CB LYS A 63 -15.923 11.168 -7.668 1.00 1.19 C ATOM 1003 CG LYS A 63 -15.395 12.566 -7.944 1.00 1.25 C ATOM 1004 CD LYS A 63 -16.223 13.288 -8.989 1.00 1.54 C ATOM 1005 CE LYS A 63 -15.549 14.581 -9.414 1.00 1.61 C ATOM 1006 NZ LYS A 63 -16.492 15.508 -10.093 1.00 2.42 N ATOM 0 H LYS A 63 -15.675 12.075 -5.414 1.00 1.04 H new ATOM 0 HA LYS A 63 -15.565 9.445 -6.436 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -15.898 10.588 -8.590 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.967 11.234 -7.362 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -15.395 13.143 -7.019 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -14.360 12.503 -8.281 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -16.363 12.644 -9.857 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -17.214 13.504 -8.589 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -15.126 15.073 -8.538 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -14.720 14.354 -10.084 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -15.989 16.377 -10.365 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -16.877 15.050 -10.943 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -17.270 15.747 -9.446 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.433 9.195 -7.805 1.00 1.01 N ATOM 1021 CA GLU A 64 -12.097 8.882 -8.313 1.00 1.02 C ATOM 1022 C GLU A 64 -11.083 8.784 -7.173 1.00 0.93 C ATOM 1023 O GLU A 64 -9.961 9.283 -7.272 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.645 9.927 -9.339 1.00 1.16 C ATOM 1025 CG GLU A 64 -12.286 9.762 -10.713 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.495 10.653 -10.917 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -13.485 11.801 -10.431 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -14.455 10.218 -11.590 1.00 1.50 O ATOM 0 H GLU A 64 -14.150 8.528 -8.089 1.00 1.01 H new ATOM 0 HA GLU A 64 -12.150 7.912 -8.807 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.878 10.921 -8.957 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.562 9.872 -9.445 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -11.545 9.983 -11.482 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -12.582 8.722 -10.846 1.00 1.41 H new ATOM 1035 N SER A 65 -11.490 8.135 -6.095 1.00 0.88 N ATOM 1036 CA SER A 65 -10.642 7.965 -4.929 1.00 0.92 C ATOM 1037 C SER A 65 -9.615 6.858 -5.151 1.00 0.80 C ATOM 1038 O SER A 65 -9.908 5.847 -5.788 1.00 0.74 O ATOM 1039 CB SER A 65 -11.520 7.636 -3.731 1.00 1.08 C ATOM 1040 OG SER A 65 -12.828 7.299 -4.163 1.00 1.07 O ATOM 0 H SER A 65 -12.414 7.713 -6.004 1.00 0.88 H new ATOM 0 HA SER A 65 -10.094 8.890 -4.748 1.00 0.92 H new ATOM 0 HB2 SER A 65 -11.089 6.806 -3.171 1.00 1.08 H new ATOM 0 HB3 SER A 65 -11.561 8.490 -3.055 1.00 1.08 H new ATOM 0 HG SER A 65 -13.459 7.985 -3.860 1.00 1.07 H new ATOM 1046 N THR A 66 -8.416 7.060 -4.627 1.00 0.82 N ATOM 1047 CA THR A 66 -7.349 6.088 -4.764 1.00 0.77 C ATOM 1048 C THR A 66 -7.152 5.313 -3.464 1.00 0.67 C ATOM 1049 O THR A 66 -6.461 5.771 -2.553 1.00 0.72 O ATOM 1050 CB THR A 66 -6.027 6.776 -5.158 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.759 7.865 -4.266 1.00 1.11 O ATOM 1052 CG2 THR A 66 -6.089 7.293 -6.587 1.00 1.37 C ATOM 0 H THR A 66 -8.159 7.895 -4.100 1.00 0.82 H new ATOM 0 HA THR A 66 -7.635 5.392 -5.553 1.00 0.77 H new ATOM 0 HB THR A 66 -5.226 6.040 -5.089 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.881 7.567 -3.340 1.00 1.11 H new ATOM 0 HG21 THR A 66 -5.145 7.774 -6.841 1.00 1.37 H new ATOM 0 HG22 THR A 66 -6.267 6.460 -7.268 1.00 1.37 H new ATOM 0 HG23 THR A 66 -6.900 8.015 -6.678 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.774 4.146 -3.379 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.671 3.310 -2.193 1.00 0.54 C ATOM 1062 C LEU A 67 -6.509 2.338 -2.317 1.00 0.48 C ATOM 1063 O LEU A 67 -5.933 2.178 -3.397 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.970 2.527 -1.969 1.00 0.53 C ATOM 1065 CG LEU A 67 -10.085 3.286 -1.245 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.705 4.333 -2.158 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -11.150 2.317 -0.753 1.00 0.77 C ATOM 0 H LEU A 67 -8.357 3.756 -4.120 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.496 3.965 -1.339 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -9.348 2.200 -2.938 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.737 1.628 -1.398 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.650 3.796 -0.385 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.495 4.860 -1.623 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.940 5.044 -2.468 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -11.125 3.846 -3.038 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.937 2.871 -0.240 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.577 1.783 -1.602 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.701 1.602 -0.064 1.00 0.77 H new ATOM 1079 N HIS A 68 -6.161 1.696 -1.212 1.00 0.49 N ATOM 1080 CA HIS A 68 -5.080 0.727 -1.204 1.00 0.49 C ATOM 1081 C HIS A 68 -5.513 -0.545 -0.492 1.00 0.46 C ATOM 1082 O HIS A 68 -6.034 -0.496 0.623 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.831 1.306 -0.535 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.797 1.783 -1.512 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.926 0.932 -2.166 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -2.493 3.028 -1.941 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.133 1.638 -2.950 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -1.459 2.912 -2.838 1.00 2.11 N ATOM 0 H HIS A 68 -6.614 1.830 -0.308 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.835 0.486 -2.238 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.124 2.137 0.107 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.388 0.546 0.109 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -2.974 3.945 -1.635 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.349 1.240 -3.578 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -1.016 3.684 -3.336 1.00 2.11 H new ATOM 1097 N LEU A 69 -5.306 -1.677 -1.150 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.675 -2.967 -0.589 1.00 0.44 C ATOM 1099 C LEU A 69 -4.432 -3.803 -0.316 1.00 0.49 C ATOM 1100 O LEU A 69 -3.642 -4.079 -1.220 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.621 -3.708 -1.542 1.00 0.48 C ATOM 1102 CG LEU A 69 -7.015 -5.123 -1.112 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.756 -5.098 0.215 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -7.868 -5.781 -2.183 1.00 0.64 C ATOM 0 H LEU A 69 -4.883 -1.727 -2.077 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.192 -2.801 0.356 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -7.529 -3.116 -1.657 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -6.150 -3.763 -2.523 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.104 -5.707 -0.982 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -8.026 -6.115 0.500 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -7.114 -4.664 0.982 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.660 -4.497 0.116 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -8.141 -6.787 -1.864 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -8.772 -5.193 -2.341 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -7.304 -5.836 -3.114 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.258 -4.193 0.933 1.00 0.56 N ATOM 1117 CA VAL A 70 -3.117 -5.001 1.331 1.00 0.66 C ATOM 1118 C VAL A 70 -3.577 -6.194 2.155 1.00 0.74 C ATOM 1119 O VAL A 70 -4.770 -6.354 2.405 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.088 -4.185 2.140 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -1.219 -3.349 1.213 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.786 -3.304 3.162 1.00 0.97 C ATOM 0 H VAL A 70 -4.896 -3.962 1.695 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.633 -5.347 0.418 1.00 0.66 H new ATOM 0 HB VAL A 70 -1.443 -4.882 2.675 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.500 -2.781 1.803 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -0.686 -4.005 0.524 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -1.847 -2.662 0.647 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -2.042 -2.737 3.722 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -3.458 -2.615 2.650 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.359 -3.927 3.848 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.639 -7.030 2.570 1.00 0.77 N ATOM 1133 CA LEU A 71 -2.967 -8.205 3.364 1.00 0.87 C ATOM 1134 C LEU A 71 -2.872 -7.902 4.855 1.00 0.90 C ATOM 1135 O LEU A 71 -2.082 -7.050 5.273 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.032 -9.366 3.015 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.509 -10.273 1.879 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -2.267 -9.620 0.526 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -1.810 -11.621 1.953 1.00 1.52 C ATOM 0 H LEU A 71 -1.645 -6.918 2.371 1.00 0.77 H new ATOM 0 HA LEU A 71 -3.993 -8.488 3.130 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.058 -8.958 2.747 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -1.888 -9.975 3.907 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.582 -10.429 1.992 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -2.614 -10.284 -0.266 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -2.812 -8.677 0.474 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.201 -9.430 0.399 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -2.159 -12.257 1.139 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -0.733 -11.478 1.866 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -2.037 -12.096 2.907 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.685 -8.596 5.646 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.698 -8.426 7.099 1.00 1.06 C ATOM 1153 C ARG A 72 -2.327 -8.713 7.701 1.00 0.98 C ATOM 1154 O ARG A 72 -1.631 -9.635 7.272 1.00 0.98 O ATOM 1155 CB ARG A 72 -4.745 -9.351 7.736 1.00 1.26 C ATOM 1156 CG ARG A 72 -4.790 -10.750 7.132 1.00 1.27 C ATOM 1157 CD ARG A 72 -4.338 -11.820 8.117 1.00 1.51 C ATOM 1158 NE ARG A 72 -2.887 -11.823 8.307 1.00 1.92 N ATOM 1159 CZ ARG A 72 -2.218 -12.781 8.943 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -2.847 -13.852 9.414 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -0.906 -12.675 9.096 1.00 2.72 N ATOM 0 H ARG A 72 -4.350 -9.289 5.302 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.957 -7.388 7.309 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.539 -9.434 8.803 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -5.729 -8.892 7.636 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -5.806 -10.969 6.803 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -4.154 -10.782 6.247 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -4.828 -11.657 9.077 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -4.657 -12.799 7.759 1.00 1.51 H new ATOM 0 HE ARG A 72 -2.354 -11.040 7.927 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -3.855 -13.947 9.290 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -2.322 -14.579 9.900 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -0.414 -11.862 8.727 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -0.389 -13.407 9.583 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.945 -7.932 8.698 1.00 1.04 N ATOM 1176 CA LEU A 73 -0.661 -8.119 9.357 1.00 1.05 C ATOM 1177 C LEU A 73 -0.739 -9.273 10.350 1.00 1.17 C ATOM 1178 O LEU A 73 0.098 -10.175 10.339 1.00 1.27 O ATOM 1179 CB LEU A 73 -0.231 -6.833 10.071 1.00 1.16 C ATOM 1180 CG LEU A 73 1.192 -6.848 10.636 1.00 1.25 C ATOM 1181 CD1 LEU A 73 2.216 -6.951 9.518 1.00 1.23 C ATOM 1182 CD2 LEU A 73 1.446 -5.608 11.479 1.00 1.44 C ATOM 0 H LEU A 73 -2.504 -7.164 9.069 1.00 1.04 H new ATOM 0 HA LEU A 73 0.084 -8.359 8.599 1.00 1.05 H new ATOM 0 HB2 LEU A 73 -0.319 -6.001 9.372 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -0.927 -6.639 10.887 1.00 1.16 H new ATOM 0 HG LEU A 73 1.295 -7.726 11.274 1.00 1.25 H new ATOM 0 HD11 LEU A 73 3.220 -6.960 9.943 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.051 -7.871 8.957 1.00 1.23 H new ATOM 0 HD13 LEU A 73 2.113 -6.096 8.850 1.00 1.23 H new ATOM 0 HD21 LEU A 73 2.462 -5.637 11.872 1.00 1.44 H new ATOM 0 HD22 LEU A 73 1.320 -4.717 10.863 1.00 1.44 H new ATOM 0 HD23 LEU A 73 0.738 -5.580 12.307 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.761 -9.248 11.194 1.00 1.29 N ATOM 1195 CA ARG A 74 -1.960 -10.288 12.194 1.00 1.48 C ATOM 1196 C ARG A 74 -3.417 -10.730 12.192 1.00 1.52 C ATOM 1197 O ARG A 74 -4.281 -10.023 11.671 1.00 1.42 O ATOM 1198 CB ARG A 74 -1.553 -9.783 13.583 1.00 1.65 C ATOM 1199 CG ARG A 74 -0.058 -9.541 13.718 1.00 1.66 C ATOM 1200 CD ARG A 74 0.264 -8.618 14.885 1.00 1.87 C ATOM 1201 NE ARG A 74 1.627 -8.092 14.794 1.00 2.02 N ATOM 1202 CZ ARG A 74 2.030 -6.955 15.365 1.00 2.49 C ATOM 1203 NH1 ARG A 74 1.182 -6.226 16.084 1.00 3.05 N ATOM 1204 NH2 ARG A 74 3.285 -6.549 15.209 1.00 2.67 N ATOM 0 H ARG A 74 -2.469 -8.514 11.206 1.00 1.29 H new ATOM 0 HA ARG A 74 -1.330 -11.143 11.946 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -2.085 -8.856 13.796 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -1.866 -10.510 14.333 1.00 1.65 H new ATOM 0 HG2 ARG A 74 0.453 -10.494 13.857 1.00 1.66 H new ATOM 0 HG3 ARG A 74 0.324 -9.106 12.795 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -0.446 -7.791 14.902 1.00 1.87 H new ATOM 0 HD3 ARG A 74 0.144 -9.160 15.823 1.00 1.87 H new ATOM 0 HE ARG A 74 2.312 -8.628 14.261 1.00 2.02 H new ATOM 0 HH11 ARG A 74 0.217 -6.535 16.202 1.00 3.05 H new ATOM 0 HH12 ARG A 74 1.496 -5.358 16.518 1.00 3.05 H new ATOM 0 HH21 ARG A 74 3.936 -7.105 14.655 1.00 2.67 H new ATOM 0 HH22 ARG A 74 3.598 -5.681 15.643 1.00 2.67 H new ATOM 1218 N GLY A 75 -3.689 -11.895 12.761 1.00 1.73 N ATOM 1219 CA GLY A 75 -5.049 -12.400 12.788 1.00 1.82 C ATOM 1220 C GLY A 75 -5.718 -12.217 14.136 1.00 1.97 C ATOM 1221 O GLY A 75 -6.882 -12.575 14.315 1.00 2.14 O ATOM 0 H GLY A 75 -2.996 -12.499 13.203 1.00 1.73 H new ATOM 0 HA2 GLY A 75 -5.636 -11.890 12.024 1.00 1.82 H new ATOM 0 HA3 GLY A 75 -5.043 -13.459 12.531 1.00 1.82 H new ATOM 1225 N GLY A 76 -4.987 -11.661 15.087 1.00 2.11 N ATOM 1226 CA GLY A 76 -5.529 -11.445 16.410 1.00 2.28 C ATOM 1227 C GLY A 76 -4.450 -11.072 17.392 1.00 2.59 C ATOM 1228 O GLY A 76 -3.419 -10.524 16.956 1.00 2.86 O ATOM 1229 OXT GLY A 76 -4.626 -11.318 18.601 1.00 2.74 O ATOM 0 H GLY A 76 -4.022 -11.354 14.965 1.00 2.11 H new ATOM 0 HA2 GLY A 76 -6.278 -10.654 16.373 1.00 2.28 H new ATOM 0 HA3 GLY A 76 -6.035 -12.349 16.749 1.00 2.28 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 34.786 -3.518 -0.546 1.00 6.94 N ATOM 1235 CA ALA B 49 33.919 -2.800 0.416 1.00 6.69 C ATOM 1236 C ALA B 49 33.085 -1.750 -0.298 1.00 5.91 C ATOM 1237 O ALA B 49 33.611 -0.980 -1.101 1.00 5.54 O ATOM 1238 CB ALA B 49 34.754 -2.154 1.505 1.00 6.99 C ATOM 0 HA ALA B 49 33.247 -3.524 0.876 1.00 6.69 H new ATOM 0 HB1 ALA B 49 34.100 -1.631 2.203 1.00 6.99 H new ATOM 0 HB2 ALA B 49 35.314 -2.922 2.039 1.00 6.99 H new ATOM 0 HB3 ALA B 49 35.449 -1.444 1.057 1.00 6.99 H new ATOM 1246 N ASN B 50 31.786 -1.734 0.005 1.00 5.87 N ATOM 1247 CA ASN B 50 30.839 -0.789 -0.593 1.00 5.30 C ATOM 1248 C ASN B 50 30.986 -0.746 -2.110 1.00 5.06 C ATOM 1249 O ASN B 50 31.390 0.269 -2.686 1.00 5.44 O ATOM 1250 CB ASN B 50 31.018 0.613 -0.009 1.00 6.03 C ATOM 1251 CG ASN B 50 29.777 1.475 -0.180 1.00 6.24 C ATOM 1252 OD1 ASN B 50 28.668 1.076 0.184 1.00 6.11 O ATOM 1253 ND2 ASN B 50 29.950 2.659 -0.746 1.00 6.90 N ATOM 0 H ASN B 50 31.359 -2.376 0.673 1.00 5.87 H new ATOM 0 HA ASN B 50 29.835 -1.139 -0.354 1.00 5.30 H new ATOM 0 HB2 ASN B 50 31.259 0.534 1.051 1.00 6.03 H new ATOM 0 HB3 ASN B 50 31.865 1.100 -0.493 1.00 6.03 H new ATOM 0 HD21 ASN B 50 29.151 3.275 -0.894 1.00 6.90 H new ATOM 0 HD22 ASN B 50 30.883 2.955 -1.034 1.00 6.90 H new ATOM 1260 N GLN B 51 30.677 -1.862 -2.748 1.00 4.75 N ATOM 1261 CA GLN B 51 30.771 -1.967 -4.195 1.00 4.80 C ATOM 1262 C GLN B 51 29.426 -1.692 -4.844 1.00 3.99 C ATOM 1263 O GLN B 51 28.378 -1.996 -4.272 1.00 4.10 O ATOM 1264 CB GLN B 51 31.267 -3.358 -4.597 1.00 5.49 C ATOM 1265 CG GLN B 51 32.769 -3.536 -4.463 1.00 6.37 C ATOM 1266 CD GLN B 51 33.228 -4.910 -4.906 1.00 7.07 C ATOM 1267 OE1 GLN B 51 33.518 -5.127 -6.080 1.00 7.23 O ATOM 1268 NE2 GLN B 51 33.302 -5.842 -3.972 1.00 7.70 N ATOM 0 H GLN B 51 30.357 -2.712 -2.284 1.00 4.75 H new ATOM 0 HA GLN B 51 31.485 -1.220 -4.543 1.00 4.80 H new ATOM 0 HB2 GLN B 51 30.766 -4.104 -3.981 1.00 5.49 H new ATOM 0 HB3 GLN B 51 30.978 -3.552 -5.630 1.00 5.49 H new ATOM 0 HG2 GLN B 51 33.277 -2.777 -5.058 1.00 6.37 H new ATOM 0 HG3 GLN B 51 33.060 -3.375 -3.425 1.00 6.37 H new ATOM 0 HE21 GLN B 51 33.052 -5.619 -3.009 1.00 7.70 H new ATOM 0 HE22 GLN B 51 33.609 -6.784 -4.215 1.00 7.70 H new ATOM 1277 N GLN B 52 29.457 -1.120 -6.038 1.00 3.53 N ATOM 1278 CA GLN B 52 28.240 -0.809 -6.770 1.00 3.01 C ATOM 1279 C GLN B 52 27.750 -2.045 -7.522 1.00 2.27 C ATOM 1280 O GLN B 52 27.701 -2.069 -8.753 1.00 2.36 O ATOM 1281 CB GLN B 52 28.487 0.342 -7.747 1.00 3.67 C ATOM 1282 CG GLN B 52 27.213 0.891 -8.367 1.00 4.51 C ATOM 1283 CD GLN B 52 27.469 2.064 -9.285 1.00 5.37 C ATOM 1284 OE1 GLN B 52 27.688 1.891 -10.483 1.00 5.48 O ATOM 1285 NE2 GLN B 52 27.443 3.262 -8.730 1.00 6.18 N ATOM 0 H GLN B 52 30.317 -0.861 -6.522 1.00 3.53 H new ATOM 0 HA GLN B 52 27.472 -0.502 -6.059 1.00 3.01 H new ATOM 0 HB2 GLN B 52 29.005 1.147 -7.225 1.00 3.67 H new ATOM 0 HB3 GLN B 52 29.150 -0.001 -8.541 1.00 3.67 H new ATOM 0 HG2 GLN B 52 26.716 0.099 -8.927 1.00 4.51 H new ATOM 0 HG3 GLN B 52 26.531 1.198 -7.574 1.00 4.51 H new ATOM 0 HE21 GLN B 52 27.257 3.358 -7.732 1.00 6.18 H new ATOM 0 HE22 GLN B 52 27.609 4.092 -9.300 1.00 6.18 H new ATOM 1294 N THR B 53 27.408 -3.074 -6.770 1.00 2.20 N ATOM 1295 CA THR B 53 26.928 -4.315 -7.349 1.00 2.16 C ATOM 1296 C THR B 53 25.450 -4.207 -7.712 1.00 1.98 C ATOM 1297 O THR B 53 24.976 -4.865 -8.636 1.00 2.60 O ATOM 1298 CB THR B 53 27.136 -5.489 -6.372 1.00 3.08 C ATOM 1299 OG1 THR B 53 28.162 -5.150 -5.422 1.00 3.59 O ATOM 1300 CG2 THR B 53 27.534 -6.753 -7.123 1.00 3.84 C ATOM 0 H THR B 53 27.454 -3.075 -5.751 1.00 2.20 H new ATOM 0 HA THR B 53 27.502 -4.503 -8.256 1.00 2.16 H new ATOM 0 HB THR B 53 26.197 -5.676 -5.850 1.00 3.08 H new ATOM 0 HG1 THR B 53 28.292 -5.897 -4.801 1.00 3.59 H new ATOM 0 HG21 THR B 53 27.676 -7.568 -6.414 1.00 3.84 H new ATOM 0 HG22 THR B 53 26.748 -7.019 -7.830 1.00 3.84 H new ATOM 0 HG23 THR B 53 28.464 -6.577 -7.664 1.00 3.84 H new ATOM 1308 N SER B 54 24.729 -3.369 -6.984 1.00 1.83 N ATOM 1309 CA SER B 54 23.313 -3.165 -7.228 1.00 2.46 C ATOM 1310 C SER B 54 23.092 -1.997 -8.186 1.00 2.41 C ATOM 1311 O SER B 54 23.991 -1.173 -8.390 1.00 3.09 O ATOM 1312 CB SER B 54 22.601 -2.909 -5.899 1.00 3.09 C ATOM 1313 OG SER B 54 23.510 -2.394 -4.932 1.00 3.01 O ATOM 0 H SER B 54 25.106 -2.816 -6.214 1.00 1.83 H new ATOM 0 HA SER B 54 22.900 -4.061 -7.691 1.00 2.46 H new ATOM 0 HB2 SER B 54 21.783 -2.204 -6.049 1.00 3.09 H new ATOM 0 HB3 SER B 54 22.159 -3.836 -5.533 1.00 3.09 H new ATOM 0 HG SER B 54 23.023 -2.173 -4.111 1.00 3.01 H new ATOM 1319 N GLY B 55 21.907 -1.937 -8.782 1.00 1.77 N ATOM 1320 CA GLY B 55 21.584 -0.857 -9.696 1.00 1.76 C ATOM 1321 C GLY B 55 21.239 0.411 -8.948 1.00 1.40 C ATOM 1322 O GLY B 55 20.071 0.780 -8.847 1.00 1.29 O ATOM 0 H GLY B 55 21.161 -2.620 -8.648 1.00 1.77 H new ATOM 0 HA2 GLY B 55 22.430 -0.673 -10.358 1.00 1.76 H new ATOM 0 HA3 GLY B 55 20.744 -1.150 -10.326 1.00 1.76 H new ATOM 1326 N LYS B 56 22.267 1.056 -8.412 1.00 1.43 N ATOM 1327 CA LYS B 56 22.117 2.282 -7.636 1.00 1.15 C ATOM 1328 C LYS B 56 21.332 3.355 -8.383 1.00 1.13 C ATOM 1329 O LYS B 56 21.699 3.758 -9.490 1.00 1.19 O ATOM 1330 CB LYS B 56 23.490 2.838 -7.262 1.00 1.16 C ATOM 1331 CG LYS B 56 24.375 1.852 -6.519 1.00 1.14 C ATOM 1332 CD LYS B 56 23.853 1.552 -5.125 1.00 1.03 C ATOM 1333 CE LYS B 56 24.865 0.756 -4.318 1.00 1.13 C ATOM 1334 NZ LYS B 56 24.385 0.486 -2.939 1.00 1.04 N ATOM 0 H LYS B 56 23.233 0.743 -8.503 1.00 1.43 H new ATOM 0 HA LYS B 56 21.555 2.020 -6.739 1.00 1.15 H new ATOM 0 HB2 LYS B 56 24.001 3.156 -8.170 1.00 1.16 H new ATOM 0 HB3 LYS B 56 23.355 3.726 -6.644 1.00 1.16 H new ATOM 0 HG2 LYS B 56 24.441 0.925 -7.088 1.00 1.14 H new ATOM 0 HG3 LYS B 56 25.385 2.255 -6.448 1.00 1.14 H new ATOM 0 HD2 LYS B 56 23.627 2.486 -4.610 1.00 1.03 H new ATOM 0 HD3 LYS B 56 22.920 0.993 -5.196 1.00 1.03 H new ATOM 0 HE2 LYS B 56 25.070 -0.188 -4.823 1.00 1.13 H new ATOM 0 HE3 LYS B 56 25.806 1.304 -4.274 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 25.199 0.306 -2.317 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.857 1.310 -2.588 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 23.763 -0.347 -2.945 1.00 1.04 H new ATOM 1348 N VAL B 57 20.259 3.813 -7.758 1.00 1.12 N ATOM 1349 CA VAL B 57 19.423 4.854 -8.330 1.00 1.13 C ATOM 1350 C VAL B 57 19.632 6.155 -7.560 1.00 1.07 C ATOM 1351 O VAL B 57 19.694 6.153 -6.328 1.00 0.99 O ATOM 1352 CB VAL B 57 17.923 4.478 -8.300 1.00 1.11 C ATOM 1353 CG1 VAL B 57 17.103 5.477 -9.107 1.00 1.23 C ATOM 1354 CG2 VAL B 57 17.708 3.065 -8.826 1.00 1.15 C ATOM 0 H VAL B 57 19.946 3.476 -6.848 1.00 1.12 H new ATOM 0 HA VAL B 57 19.715 4.976 -9.373 1.00 1.13 H new ATOM 0 HB VAL B 57 17.586 4.512 -7.264 1.00 1.11 H new ATOM 0 HG11 VAL B 57 16.051 5.195 -9.074 1.00 1.23 H new ATOM 0 HG12 VAL B 57 17.225 6.474 -8.684 1.00 1.23 H new ATOM 0 HG13 VAL B 57 17.446 5.477 -10.142 1.00 1.23 H new ATOM 0 HG21 VAL B 57 16.646 2.823 -8.795 1.00 1.15 H new ATOM 0 HG22 VAL B 57 18.065 3.001 -9.854 1.00 1.15 H new ATOM 0 HG23 VAL B 57 18.259 2.358 -8.206 1.00 1.15 H new ATOM 1364 N LEU B 58 19.755 7.256 -8.284 1.00 1.14 N ATOM 1365 CA LEU B 58 19.966 8.555 -7.665 1.00 1.13 C ATOM 1366 C LEU B 58 18.632 9.201 -7.305 1.00 1.12 C ATOM 1367 O LEU B 58 17.867 9.609 -8.180 1.00 1.20 O ATOM 1368 CB LEU B 58 20.761 9.465 -8.602 1.00 1.28 C ATOM 1369 CG LEU B 58 21.180 10.811 -8.011 1.00 1.36 C ATOM 1370 CD1 LEU B 58 22.326 10.624 -7.027 1.00 1.29 C ATOM 1371 CD2 LEU B 58 21.574 11.768 -9.124 1.00 1.76 C ATOM 0 H LEU B 58 19.712 7.276 -9.303 1.00 1.14 H new ATOM 0 HA LEU B 58 20.537 8.412 -6.748 1.00 1.13 H new ATOM 0 HB2 LEU B 58 21.657 8.934 -8.923 1.00 1.28 H new ATOM 0 HB3 LEU B 58 20.163 9.650 -9.495 1.00 1.28 H new ATOM 0 HG LEU B 58 20.336 11.239 -7.470 1.00 1.36 H new ATOM 0 HD11 LEU B 58 22.613 11.591 -6.615 1.00 1.29 H new ATOM 0 HD12 LEU B 58 22.008 9.965 -6.219 1.00 1.29 H new ATOM 0 HD13 LEU B 58 23.179 10.181 -7.542 1.00 1.29 H new ATOM 0 HD21 LEU B 58 21.871 12.724 -8.693 1.00 1.76 H new ATOM 0 HD22 LEU B 58 22.408 11.348 -9.686 1.00 1.76 H new ATOM 0 HD23 LEU B 58 20.726 11.919 -9.792 1.00 1.76 H new ATOM 1383 N TYR B 59 18.359 9.288 -6.016 1.00 1.06 N ATOM 1384 CA TYR B 59 17.123 9.876 -5.530 1.00 1.06 C ATOM 1385 C TYR B 59 17.411 11.155 -4.746 1.00 1.09 C ATOM 1386 O TYR B 59 18.056 11.121 -3.700 1.00 1.06 O ATOM 1387 CB TYR B 59 16.361 8.849 -4.674 1.00 0.97 C ATOM 1388 CG TYR B 59 15.649 9.423 -3.470 1.00 0.89 C ATOM 1389 CD1 TYR B 59 14.503 10.196 -3.610 1.00 1.03 C ATOM 1390 CD2 TYR B 59 16.132 9.193 -2.189 1.00 1.03 C ATOM 1391 CE1 TYR B 59 13.860 10.721 -2.506 1.00 1.27 C ATOM 1392 CE2 TYR B 59 15.494 9.716 -1.084 1.00 1.28 C ATOM 1393 CZ TYR B 59 14.361 10.479 -1.247 1.00 1.38 C ATOM 1394 OH TYR B 59 13.726 11.008 -0.148 1.00 1.77 O ATOM 0 H TYR B 59 18.983 8.956 -5.280 1.00 1.06 H new ATOM 0 HA TYR B 59 16.495 10.147 -6.378 1.00 1.06 H new ATOM 0 HB2 TYR B 59 15.628 8.345 -5.304 1.00 0.97 H new ATOM 0 HB3 TYR B 59 17.064 8.089 -4.333 1.00 0.97 H new ATOM 0 HD1 TYR B 59 14.109 10.389 -4.597 1.00 1.03 H new ATOM 0 HD2 TYR B 59 17.021 8.595 -2.056 1.00 1.03 H new ATOM 0 HE1 TYR B 59 12.969 11.318 -2.630 1.00 1.27 H new ATOM 0 HE2 TYR B 59 15.882 9.527 -0.094 1.00 1.28 H new ATOM 0 HH TYR B 59 13.248 10.297 0.327 1.00 1.77 H new ATOM 1404 N GLU B 60 16.953 12.283 -5.289 1.00 1.18 N ATOM 1405 CA GLU B 60 17.125 13.593 -4.657 1.00 1.24 C ATOM 1406 C GLU B 60 18.589 13.872 -4.308 1.00 1.34 C ATOM 1407 O GLU B 60 18.887 14.448 -3.260 1.00 1.90 O ATOM 1408 CB GLU B 60 16.253 13.695 -3.401 1.00 1.13 C ATOM 1409 CG GLU B 60 14.763 13.744 -3.697 1.00 1.09 C ATOM 1410 CD GLU B 60 14.240 15.154 -3.847 1.00 1.49 C ATOM 1411 OE1 GLU B 60 14.595 15.819 -4.838 1.00 1.66 O ATOM 1412 OE2 GLU B 60 13.466 15.603 -2.977 1.00 2.02 O ATOM 0 H GLU B 60 16.453 12.316 -6.178 1.00 1.18 H new ATOM 0 HA GLU B 60 16.809 14.348 -5.377 1.00 1.24 H new ATOM 0 HB2 GLU B 60 16.459 12.841 -2.756 1.00 1.13 H new ATOM 0 HB3 GLU B 60 16.534 14.590 -2.845 1.00 1.13 H new ATOM 0 HG2 GLU B 60 14.561 13.187 -4.612 1.00 1.09 H new ATOM 0 HG3 GLU B 60 14.221 13.244 -2.894 1.00 1.09 H new ATOM 1419 N GLY B 61 19.495 13.464 -5.193 1.00 1.27 N ATOM 1420 CA GLY B 61 20.912 13.686 -4.963 1.00 1.32 C ATOM 1421 C GLY B 61 21.548 12.636 -4.069 1.00 1.22 C ATOM 1422 O GLY B 61 22.739 12.712 -3.769 1.00 1.33 O ATOM 0 H GLY B 61 19.273 12.984 -6.065 1.00 1.27 H new ATOM 0 HA2 GLY B 61 21.431 13.699 -5.922 1.00 1.32 H new ATOM 0 HA3 GLY B 61 21.050 14.669 -4.512 1.00 1.32 H new ATOM 1426 N LYS B 62 20.762 11.660 -3.646 1.00 1.08 N ATOM 1427 CA LYS B 62 21.257 10.595 -2.788 1.00 1.02 C ATOM 1428 C LYS B 62 21.281 9.273 -3.547 1.00 1.00 C ATOM 1429 O LYS B 62 20.265 8.844 -4.096 1.00 1.00 O ATOM 1430 CB LYS B 62 20.380 10.474 -1.538 1.00 0.92 C ATOM 1431 CG LYS B 62 20.817 9.371 -0.585 1.00 0.90 C ATOM 1432 CD LYS B 62 19.943 9.324 0.661 1.00 0.94 C ATOM 1433 CE LYS B 62 20.210 10.509 1.584 1.00 1.30 C ATOM 1434 NZ LYS B 62 21.594 10.496 2.127 1.00 1.59 N ATOM 0 H LYS B 62 19.773 11.583 -3.884 1.00 1.08 H new ATOM 0 HA LYS B 62 22.274 10.837 -2.480 1.00 1.02 H new ATOM 0 HB2 LYS B 62 20.389 11.425 -1.006 1.00 0.92 H new ATOM 0 HB3 LYS B 62 19.350 10.290 -1.844 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.773 8.410 -1.097 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.856 9.531 -0.295 1.00 0.90 H new ATOM 0 HD2 LYS B 62 18.893 9.320 0.369 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.127 8.395 1.200 1.00 0.94 H new ATOM 0 HE2 LYS B 62 20.044 11.438 1.038 1.00 1.30 H new ATOM 0 HE3 LYS B 62 19.498 10.493 2.409 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 21.645 11.115 2.961 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 21.851 9.526 2.399 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 22.255 10.838 1.401 1.00 1.59 H new ATOM 1448 N GLU B 63 22.443 8.643 -3.590 1.00 1.03 N ATOM 1449 CA GLU B 63 22.591 7.374 -4.280 1.00 1.06 C ATOM 1450 C GLU B 63 22.253 6.222 -3.342 1.00 0.95 C ATOM 1451 O GLU B 63 22.970 5.954 -2.377 1.00 0.93 O ATOM 1452 CB GLU B 63 24.016 7.211 -4.809 1.00 1.22 C ATOM 1453 CG GLU B 63 24.231 5.909 -5.568 1.00 1.48 C ATOM 1454 CD GLU B 63 25.693 5.606 -5.816 1.00 1.64 C ATOM 1455 OE1 GLU B 63 26.240 6.082 -6.835 1.00 1.90 O ATOM 1456 OE2 GLU B 63 26.303 4.886 -5.000 1.00 2.14 O ATOM 0 H GLU B 63 23.298 8.990 -3.155 1.00 1.03 H new ATOM 0 HA GLU B 63 21.902 7.361 -5.124 1.00 1.06 H new ATOM 0 HB2 GLU B 63 24.251 8.049 -5.465 1.00 1.22 H new ATOM 0 HB3 GLU B 63 24.714 7.256 -3.973 1.00 1.22 H new ATOM 0 HG2 GLU B 63 23.786 5.089 -5.005 1.00 1.48 H new ATOM 0 HG3 GLU B 63 23.709 5.961 -6.523 1.00 1.48 H new ATOM 1463 N PHE B 64 21.155 5.549 -3.628 1.00 0.93 N ATOM 1464 CA PHE B 64 20.722 4.422 -2.822 1.00 0.85 C ATOM 1465 C PHE B 64 20.630 3.175 -3.687 1.00 0.91 C ATOM 1466 O PHE B 64 20.829 3.250 -4.900 1.00 1.02 O ATOM 1467 CB PHE B 64 19.368 4.715 -2.168 1.00 0.74 C ATOM 1468 CG PHE B 64 19.377 4.549 -0.672 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.909 5.533 0.143 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.848 3.411 -0.081 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.915 5.388 1.517 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.852 3.260 1.294 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.387 4.252 2.094 1.00 0.77 C ATOM 0 H PHE B 64 20.544 5.764 -4.416 1.00 0.93 H new ATOM 0 HA PHE B 64 21.454 4.255 -2.032 1.00 0.85 H new ATOM 0 HB2 PHE B 64 19.069 5.735 -2.411 1.00 0.74 H new ATOM 0 HB3 PHE B 64 18.616 4.052 -2.595 1.00 0.74 H new ATOM 0 HD1 PHE B 64 20.325 6.426 -0.301 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.428 2.634 -0.702 1.00 0.65 H new ATOM 0 HE1 PHE B 64 20.333 6.165 2.140 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.438 2.369 1.742 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.392 4.138 3.168 1.00 0.77 H new ATOM 1483 N ASP B 65 20.342 2.039 -3.064 1.00 0.87 N ATOM 1484 CA ASP B 65 20.218 0.777 -3.789 1.00 0.94 C ATOM 1485 C ASP B 65 19.084 0.871 -4.798 1.00 1.03 C ATOM 1486 O ASP B 65 19.315 1.016 -5.995 1.00 1.18 O ATOM 1487 CB ASP B 65 19.954 -0.382 -2.823 1.00 0.88 C ATOM 1488 CG ASP B 65 21.176 -1.238 -2.557 1.00 0.84 C ATOM 1489 OD1 ASP B 65 22.246 -0.955 -3.132 1.00 1.13 O ATOM 1490 OD2 ASP B 65 21.068 -2.195 -1.766 1.00 1.39 O ATOM 0 H ASP B 65 20.190 1.964 -2.058 1.00 0.87 H new ATOM 0 HA ASP B 65 21.156 0.587 -4.311 1.00 0.94 H new ATOM 0 HB2 ASP B 65 19.589 0.019 -1.878 1.00 0.88 H new ATOM 0 HB3 ASP B 65 19.162 -1.010 -3.230 1.00 0.88 H new ATOM 1495 N TYR B 66 17.857 0.814 -4.301 1.00 0.99 N ATOM 1496 CA TYR B 66 16.680 0.906 -5.149 1.00 1.12 C ATOM 1497 C TYR B 66 15.651 1.809 -4.488 1.00 0.95 C ATOM 1498 O TYR B 66 15.576 1.878 -3.262 1.00 0.88 O ATOM 1499 CB TYR B 66 16.095 -0.487 -5.415 1.00 1.31 C ATOM 1500 CG TYR B 66 17.052 -1.398 -6.154 1.00 1.57 C ATOM 1501 CD1 TYR B 66 17.280 -1.237 -7.516 1.00 1.79 C ATOM 1502 CD2 TYR B 66 17.743 -2.404 -5.488 1.00 1.64 C ATOM 1503 CE1 TYR B 66 18.168 -2.051 -8.193 1.00 2.05 C ATOM 1504 CE2 TYR B 66 18.629 -3.225 -6.159 1.00 1.89 C ATOM 1505 CZ TYR B 66 18.840 -3.042 -7.510 1.00 2.08 C ATOM 1506 OH TYR B 66 19.733 -3.846 -8.179 1.00 2.34 O ATOM 0 H TYR B 66 17.651 0.704 -3.308 1.00 0.99 H new ATOM 0 HA TYR B 66 16.963 1.335 -6.110 1.00 1.12 H new ATOM 0 HB2 TYR B 66 15.823 -0.948 -4.466 1.00 1.31 H new ATOM 0 HB3 TYR B 66 15.178 -0.385 -5.995 1.00 1.31 H new ATOM 0 HD1 TYR B 66 16.754 -0.462 -8.054 1.00 1.79 H new ATOM 0 HD2 TYR B 66 17.585 -2.546 -4.429 1.00 1.64 H new ATOM 0 HE1 TYR B 66 18.335 -1.912 -9.251 1.00 2.05 H new ATOM 0 HE2 TYR B 66 19.154 -4.006 -5.629 1.00 1.89 H new ATOM 0 HH TYR B 66 20.122 -4.493 -7.554 1.00 2.34 H new ATOM 1516 N VAL B 67 14.868 2.514 -5.290 1.00 0.97 N ATOM 1517 CA VAL B 67 13.865 3.421 -4.750 1.00 0.85 C ATOM 1518 C VAL B 67 12.462 3.050 -5.218 1.00 0.86 C ATOM 1519 O VAL B 67 12.261 2.646 -6.365 1.00 1.09 O ATOM 1520 CB VAL B 67 14.163 4.888 -5.127 1.00 0.87 C ATOM 1521 CG1 VAL B 67 15.346 5.407 -4.331 1.00 0.85 C ATOM 1522 CG2 VAL B 67 14.429 5.032 -6.620 1.00 1.05 C ATOM 0 H VAL B 67 14.906 2.477 -6.309 1.00 0.97 H new ATOM 0 HA VAL B 67 13.910 3.322 -3.665 1.00 0.85 H new ATOM 0 HB VAL B 67 13.283 5.482 -4.883 1.00 0.87 H new ATOM 0 HG11 VAL B 67 15.544 6.443 -4.607 1.00 0.85 H new ATOM 0 HG12 VAL B 67 15.120 5.353 -3.266 1.00 0.85 H new ATOM 0 HG13 VAL B 67 16.225 4.799 -4.547 1.00 0.85 H new ATOM 0 HG21 VAL B 67 14.635 6.076 -6.854 1.00 1.05 H new ATOM 0 HG22 VAL B 67 15.288 4.421 -6.897 1.00 1.05 H new ATOM 0 HG23 VAL B 67 13.554 4.701 -7.179 1.00 1.05 H new ATOM 1532 N PHE B 68 11.500 3.182 -4.314 1.00 0.75 N ATOM 1533 CA PHE B 68 10.110 2.873 -4.608 1.00 0.79 C ATOM 1534 C PHE B 68 9.292 4.157 -4.718 1.00 0.81 C ATOM 1535 O PHE B 68 9.389 5.043 -3.872 1.00 0.77 O ATOM 1536 CB PHE B 68 9.533 1.966 -3.515 1.00 0.78 C ATOM 1537 CG PHE B 68 8.040 1.787 -3.589 1.00 1.42 C ATOM 1538 CD1 PHE B 68 7.460 1.140 -4.666 1.00 1.76 C ATOM 1539 CD2 PHE B 68 7.221 2.275 -2.582 1.00 2.40 C ATOM 1540 CE1 PHE B 68 6.089 0.983 -4.739 1.00 2.77 C ATOM 1541 CE2 PHE B 68 5.852 2.121 -2.648 1.00 3.40 C ATOM 1542 CZ PHE B 68 5.284 1.473 -3.730 1.00 3.53 C ATOM 0 H PHE B 68 11.662 3.505 -3.360 1.00 0.75 H new ATOM 0 HA PHE B 68 10.060 2.350 -5.563 1.00 0.79 H new ATOM 0 HB2 PHE B 68 10.009 0.988 -3.581 1.00 0.78 H new ATOM 0 HB3 PHE B 68 9.791 2.381 -2.540 1.00 0.78 H new ATOM 0 HD1 PHE B 68 8.085 0.754 -5.457 1.00 1.76 H new ATOM 0 HD2 PHE B 68 7.661 2.782 -1.736 1.00 2.40 H new ATOM 0 HE1 PHE B 68 5.647 0.477 -5.585 1.00 2.77 H new ATOM 0 HE2 PHE B 68 5.225 2.505 -1.857 1.00 3.40 H new ATOM 0 HZ PHE B 68 4.212 1.351 -3.785 1.00 3.53 H new ATOM 1552 N SER B 69 8.495 4.253 -5.766 1.00 0.93 N ATOM 1553 CA SER B 69 7.658 5.420 -5.983 1.00 0.99 C ATOM 1554 C SER B 69 6.349 5.294 -5.205 1.00 1.07 C ATOM 1555 O SER B 69 5.558 4.384 -5.448 1.00 1.23 O ATOM 1556 CB SER B 69 7.381 5.570 -7.477 1.00 1.13 C ATOM 1557 OG SER B 69 8.542 5.257 -8.230 1.00 1.37 O ATOM 0 H SER B 69 8.409 3.533 -6.484 1.00 0.93 H new ATOM 0 HA SER B 69 8.178 6.307 -5.623 1.00 0.99 H new ATOM 0 HB2 SER B 69 6.562 4.912 -7.769 1.00 1.13 H new ATOM 0 HB3 SER B 69 7.063 6.590 -7.694 1.00 1.13 H new ATOM 0 HG SER B 69 8.349 5.356 -9.186 1.00 1.37 H new ATOM 1563 N ILE B 70 6.131 6.200 -4.260 1.00 1.01 N ATOM 1564 CA ILE B 70 4.919 6.178 -3.456 1.00 1.12 C ATOM 1565 C ILE B 70 3.823 7.003 -4.120 1.00 1.08 C ATOM 1566 O ILE B 70 4.010 8.188 -4.415 1.00 1.10 O ATOM 1567 CB ILE B 70 5.168 6.711 -2.031 1.00 1.21 C ATOM 1568 CG1 ILE B 70 6.497 6.178 -1.482 1.00 1.41 C ATOM 1569 CG2 ILE B 70 4.018 6.316 -1.115 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.863 6.745 -0.131 1.00 1.62 C ATOM 0 H ILE B 70 6.776 6.956 -4.033 1.00 1.01 H new ATOM 0 HA ILE B 70 4.601 5.138 -3.382 1.00 1.12 H new ATOM 0 HB ILE B 70 5.225 7.799 -2.071 1.00 1.21 H new ATOM 0 HG12 ILE B 70 6.441 5.092 -1.408 1.00 1.41 H new ATOM 0 HG13 ILE B 70 7.292 6.408 -2.191 1.00 1.41 H new ATOM 0 HG21 ILE B 70 4.205 6.698 -0.111 1.00 1.35 H new ATOM 0 HG22 ILE B 70 3.088 6.737 -1.496 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.937 5.230 -1.081 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.814 6.324 0.195 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.952 7.829 -0.203 1.00 1.62 H new ATOM 0 HD13 ILE B 70 6.087 6.492 0.592 1.00 1.62 H new ATOM 1582 N ASP B 71 2.678 6.373 -4.331 1.00 1.20 N ATOM 1583 CA ASP B 71 1.540 7.007 -4.984 1.00 1.30 C ATOM 1584 C ASP B 71 0.659 7.782 -4.000 1.00 1.30 C ATOM 1585 O ASP B 71 -0.564 7.625 -3.993 1.00 1.46 O ATOM 1586 CB ASP B 71 0.706 5.945 -5.710 1.00 1.55 C ATOM 1587 CG ASP B 71 0.154 4.885 -4.772 1.00 1.54 C ATOM 1588 OD1 ASP B 71 0.941 4.256 -4.035 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -1.076 4.666 -4.773 1.00 1.95 O ATOM 0 H ASP B 71 2.510 5.406 -4.054 1.00 1.20 H new ATOM 0 HA ASP B 71 1.933 7.729 -5.700 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -0.121 6.431 -6.228 1.00 1.55 H new ATOM 0 HB3 ASP B 71 1.321 5.465 -6.471 1.00 1.55 H new ATOM 1594 N VAL B 72 1.276 8.636 -3.185 1.00 1.31 N ATOM 1595 CA VAL B 72 0.528 9.446 -2.218 1.00 1.39 C ATOM 1596 C VAL B 72 -0.431 10.372 -2.957 1.00 1.60 C ATOM 1597 O VAL B 72 -1.592 10.538 -2.573 1.00 1.74 O ATOM 1598 CB VAL B 72 1.468 10.292 -1.326 1.00 1.41 C ATOM 1599 CG1 VAL B 72 0.665 11.158 -0.364 1.00 1.50 C ATOM 1600 CG2 VAL B 72 2.430 9.395 -0.563 1.00 1.98 C ATOM 0 H VAL B 72 2.285 8.786 -3.173 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.026 8.763 -1.574 1.00 1.39 H new ATOM 0 HB VAL B 72 2.050 10.950 -1.971 1.00 1.41 H new ATOM 0 HG11 VAL B 72 1.346 11.744 0.253 1.00 1.50 H new ATOM 0 HG12 VAL B 72 0.020 11.829 -0.931 1.00 1.50 H new ATOM 0 HG13 VAL B 72 0.053 10.521 0.275 1.00 1.50 H new ATOM 0 HG21 VAL B 72 3.083 10.007 0.059 1.00 1.98 H new ATOM 0 HG22 VAL B 72 1.865 8.710 0.069 1.00 1.98 H new ATOM 0 HG23 VAL B 72 3.033 8.824 -1.269 1.00 1.98 H new ATOM 1610 N ASN B 73 0.072 10.961 -4.030 1.00 1.74 N ATOM 1611 CA ASN B 73 -0.706 11.860 -4.866 1.00 2.04 C ATOM 1612 C ASN B 73 -0.244 11.717 -6.306 1.00 2.10 C ATOM 1613 O ASN B 73 0.855 12.147 -6.655 1.00 2.56 O ATOM 1614 CB ASN B 73 -0.549 13.313 -4.406 1.00 2.45 C ATOM 1615 CG ASN B 73 -1.457 14.262 -5.174 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -1.155 14.660 -6.299 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -2.577 14.636 -4.567 1.00 3.55 N ATOM 0 H ASN B 73 1.033 10.829 -4.346 1.00 1.74 H new ATOM 0 HA ASN B 73 -1.760 11.596 -4.785 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -0.773 13.381 -3.341 1.00 2.45 H new ATOM 0 HB3 ASN B 73 0.488 13.622 -4.534 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -3.221 15.274 -5.034 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -2.793 14.285 -3.634 1.00 3.55 H new ATOM 1624 N GLU B 74 -1.065 11.087 -7.129 1.00 2.11 N ATOM 1625 CA GLU B 74 -0.726 10.884 -8.527 1.00 2.37 C ATOM 1626 C GLU B 74 -0.855 12.192 -9.300 1.00 2.06 C ATOM 1627 O GLU B 74 -1.901 12.494 -9.880 1.00 2.44 O ATOM 1628 CB GLU B 74 -1.607 9.790 -9.130 1.00 3.12 C ATOM 1629 CG GLU B 74 -1.444 8.451 -8.428 1.00 3.50 C ATOM 1630 CD GLU B 74 -2.348 7.372 -8.985 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -3.422 7.708 -9.521 1.00 4.76 O ATOM 1632 OE2 GLU B 74 -1.997 6.179 -8.863 1.00 4.70 O ATOM 0 H GLU B 74 -1.971 10.707 -6.853 1.00 2.11 H new ATOM 0 HA GLU B 74 0.311 10.557 -8.598 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -2.651 10.099 -9.076 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -1.363 9.674 -10.186 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -0.407 8.127 -8.514 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -1.652 8.577 -7.365 1.00 3.50 H new ATOM 1639 N GLY B 75 0.220 12.962 -9.283 1.00 1.96 N ATOM 1640 CA GLY B 75 0.253 14.241 -9.958 1.00 1.83 C ATOM 1641 C GLY B 75 1.362 15.110 -9.412 1.00 1.79 C ATOM 1642 O GLY B 75 2.048 15.807 -10.159 1.00 2.16 O ATOM 0 H GLY B 75 1.087 12.717 -8.804 1.00 1.96 H new ATOM 0 HA2 GLY B 75 0.398 14.089 -11.028 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -0.705 14.747 -9.835 1.00 1.83 H new ATOM 1646 N GLY B 76 1.540 15.055 -8.098 1.00 1.70 N ATOM 1647 CA GLY B 76 2.576 15.822 -7.455 1.00 1.72 C ATOM 1648 C GLY B 76 2.196 16.152 -6.018 1.00 1.64 C ATOM 1649 O GLY B 76 1.052 16.523 -5.754 1.00 1.74 O ATOM 0 H GLY B 76 0.977 14.486 -7.466 1.00 1.70 H new ATOM 0 HA2 GLY B 76 3.511 15.261 -7.469 1.00 1.72 H new ATOM 0 HA3 GLY B 76 2.749 16.744 -8.010 1.00 1.72 H new ATOM 1653 N PRO B 77 3.125 16.011 -5.061 1.00 1.48 N ATOM 1654 CA PRO B 77 4.488 15.553 -5.322 1.00 1.39 C ATOM 1655 C PRO B 77 4.618 14.027 -5.271 1.00 1.29 C ATOM 1656 O PRO B 77 3.804 13.340 -4.649 1.00 1.33 O ATOM 1657 CB PRO B 77 5.273 16.192 -4.180 1.00 1.36 C ATOM 1658 CG PRO B 77 4.310 16.236 -3.039 1.00 1.41 C ATOM 1659 CD PRO B 77 2.921 16.312 -3.632 1.00 1.46 C ATOM 0 HA PRO B 77 4.834 15.827 -6.319 1.00 1.39 H new ATOM 0 HB2 PRO B 77 6.157 15.606 -3.930 1.00 1.36 H new ATOM 0 HB3 PRO B 77 5.618 17.191 -4.446 1.00 1.36 H new ATOM 0 HG2 PRO B 77 4.414 15.350 -2.413 1.00 1.41 H new ATOM 0 HG3 PRO B 77 4.505 17.100 -2.403 1.00 1.41 H new ATOM 0 HD2 PRO B 77 2.248 15.593 -3.165 1.00 1.46 H new ATOM 0 HD3 PRO B 77 2.481 17.299 -3.491 1.00 1.46 H new ATOM 1667 N SER B 78 5.642 13.509 -5.927 1.00 1.25 N ATOM 1668 CA SER B 78 5.893 12.080 -5.960 1.00 1.17 C ATOM 1669 C SER B 78 7.032 11.731 -5.004 1.00 1.05 C ATOM 1670 O SER B 78 8.169 12.170 -5.193 1.00 1.14 O ATOM 1671 CB SER B 78 6.244 11.645 -7.385 1.00 1.28 C ATOM 1672 OG SER B 78 5.404 12.286 -8.336 1.00 1.47 O ATOM 0 H SER B 78 6.319 14.065 -6.449 1.00 1.25 H new ATOM 0 HA SER B 78 4.994 11.551 -5.644 1.00 1.17 H new ATOM 0 HB2 SER B 78 7.286 11.885 -7.596 1.00 1.28 H new ATOM 0 HB3 SER B 78 6.141 10.564 -7.474 1.00 1.28 H new ATOM 0 HG SER B 78 5.649 11.993 -9.239 1.00 1.47 H new ATOM 1678 N TYR B 79 6.722 10.958 -3.973 1.00 1.02 N ATOM 1679 CA TYR B 79 7.725 10.566 -2.991 1.00 0.93 C ATOM 1680 C TYR B 79 8.435 9.293 -3.424 1.00 0.87 C ATOM 1681 O TYR B 79 7.815 8.379 -3.964 1.00 0.85 O ATOM 1682 CB TYR B 79 7.087 10.352 -1.618 1.00 0.93 C ATOM 1683 CG TYR B 79 6.619 11.624 -0.946 1.00 1.00 C ATOM 1684 CD1 TYR B 79 7.477 12.705 -0.782 1.00 1.15 C ATOM 1685 CD2 TYR B 79 5.320 11.741 -0.469 1.00 1.06 C ATOM 1686 CE1 TYR B 79 7.052 13.863 -0.160 1.00 1.26 C ATOM 1687 CE2 TYR B 79 4.889 12.893 0.155 1.00 1.15 C ATOM 1688 CZ TYR B 79 5.758 13.952 0.307 1.00 1.22 C ATOM 1689 OH TYR B 79 5.332 15.099 0.933 1.00 1.35 O ATOM 0 H TYR B 79 5.787 10.590 -3.794 1.00 1.02 H new ATOM 0 HA TYR B 79 8.453 11.374 -2.922 1.00 0.93 H new ATOM 0 HB2 TYR B 79 6.237 9.678 -1.726 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.808 9.855 -0.968 1.00 0.93 H new ATOM 0 HD1 TYR B 79 8.492 12.639 -1.146 1.00 1.15 H new ATOM 0 HD2 TYR B 79 4.635 10.915 -0.589 1.00 1.06 H new ATOM 0 HE1 TYR B 79 7.730 14.695 -0.040 1.00 1.26 H new ATOM 0 HE2 TYR B 79 3.876 12.965 0.523 1.00 1.15 H new ATOM 0 HH TYR B 79 5.698 15.131 1.841 1.00 1.35 H new ATOM 1699 N LYS B 80 9.736 9.245 -3.191 1.00 0.87 N ATOM 1700 CA LYS B 80 10.535 8.081 -3.538 1.00 0.83 C ATOM 1701 C LYS B 80 11.158 7.497 -2.276 1.00 0.77 C ATOM 1702 O LYS B 80 11.936 8.166 -1.602 1.00 0.81 O ATOM 1703 CB LYS B 80 11.629 8.452 -4.546 1.00 0.87 C ATOM 1704 CG LYS B 80 11.108 9.140 -5.799 1.00 0.99 C ATOM 1705 CD LYS B 80 10.452 8.158 -6.761 1.00 1.08 C ATOM 1706 CE LYS B 80 11.473 7.237 -7.417 1.00 1.41 C ATOM 1707 NZ LYS B 80 10.909 6.533 -8.597 1.00 2.14 N ATOM 0 H LYS B 80 10.264 10.004 -2.760 1.00 0.87 H new ATOM 0 HA LYS B 80 9.888 7.336 -4.001 1.00 0.83 H new ATOM 0 HB2 LYS B 80 12.351 9.106 -4.058 1.00 0.87 H new ATOM 0 HB3 LYS B 80 12.163 7.547 -4.836 1.00 0.87 H new ATOM 0 HG2 LYS B 80 10.387 9.907 -5.517 1.00 0.99 H new ATOM 0 HG3 LYS B 80 11.931 9.646 -6.303 1.00 0.99 H new ATOM 0 HD2 LYS B 80 9.716 7.560 -6.223 1.00 1.08 H new ATOM 0 HD3 LYS B 80 9.913 8.710 -7.531 1.00 1.08 H new ATOM 0 HE2 LYS B 80 12.342 7.819 -7.723 1.00 1.41 H new ATOM 0 HE3 LYS B 80 11.820 6.504 -6.689 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 11.540 5.752 -8.870 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 9.971 6.153 -8.359 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 10.821 7.200 -9.390 1.00 2.14 H new ATOM 1721 N LEU B 81 10.792 6.268 -1.960 1.00 0.70 N ATOM 1722 CA LEU B 81 11.299 5.588 -0.779 1.00 0.67 C ATOM 1723 C LEU B 81 12.564 4.805 -1.112 1.00 0.63 C ATOM 1724 O LEU B 81 12.523 3.848 -1.885 1.00 0.60 O ATOM 1725 CB LEU B 81 10.230 4.642 -0.223 1.00 0.66 C ATOM 1726 CG LEU B 81 10.244 4.441 1.296 1.00 0.75 C ATOM 1727 CD1 LEU B 81 8.897 3.922 1.774 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.352 3.482 1.706 1.00 1.13 C ATOM 0 H LEU B 81 10.137 5.714 -2.512 1.00 0.70 H new ATOM 0 HA LEU B 81 11.544 6.337 -0.026 1.00 0.67 H new ATOM 0 HB2 LEU B 81 9.250 5.022 -0.511 1.00 0.66 H new ATOM 0 HB3 LEU B 81 10.348 3.669 -0.701 1.00 0.66 H new ATOM 0 HG LEU B 81 10.436 5.406 1.764 1.00 0.75 H new ATOM 0 HD11 LEU B 81 8.923 3.784 2.855 1.00 0.87 H new ATOM 0 HD12 LEU B 81 8.119 4.641 1.518 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.683 2.968 1.292 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.342 3.355 2.789 1.00 1.13 H new ATOM 0 HD22 LEU B 81 11.193 2.516 1.226 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.316 3.886 1.397 1.00 1.13 H new ATOM 1740 N PRO B 82 13.708 5.219 -0.557 1.00 0.68 N ATOM 1741 CA PRO B 82 14.983 4.548 -0.788 1.00 0.70 C ATOM 1742 C PRO B 82 15.145 3.309 0.089 1.00 0.69 C ATOM 1743 O PRO B 82 15.065 3.389 1.316 1.00 0.73 O ATOM 1744 CB PRO B 82 16.002 5.620 -0.409 1.00 0.77 C ATOM 1745 CG PRO B 82 15.328 6.423 0.650 1.00 0.78 C ATOM 1746 CD PRO B 82 13.852 6.382 0.343 1.00 0.77 C ATOM 0 HA PRO B 82 15.087 4.183 -1.810 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.927 5.175 -0.041 1.00 0.77 H new ATOM 0 HB3 PRO B 82 16.265 6.238 -1.268 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.530 6.010 1.638 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.696 7.449 0.652 1.00 0.78 H new ATOM 0 HD2 PRO B 82 13.259 6.262 1.249 1.00 0.77 H new ATOM 0 HD3 PRO B 82 13.518 7.302 -0.137 1.00 0.77 H new ATOM 1754 N TYR B 83 15.363 2.166 -0.541 1.00 0.69 N ATOM 1755 CA TYR B 83 15.537 0.918 0.180 1.00 0.70 C ATOM 1756 C TYR B 83 16.911 0.319 -0.106 1.00 0.74 C ATOM 1757 O TYR B 83 17.389 0.360 -1.241 1.00 0.78 O ATOM 1758 CB TYR B 83 14.431 -0.075 -0.204 1.00 0.75 C ATOM 1759 CG TYR B 83 14.689 -1.496 0.260 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.647 -1.827 1.609 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.981 -2.503 -0.654 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.888 -3.121 2.035 1.00 0.89 C ATOM 1763 CE2 TYR B 83 15.222 -3.798 -0.235 1.00 0.93 C ATOM 1764 CZ TYR B 83 15.176 -4.101 1.108 1.00 0.94 C ATOM 1765 OH TYR B 83 15.417 -5.391 1.526 1.00 1.02 O ATOM 0 H TYR B 83 15.424 2.078 -1.555 1.00 0.69 H new ATOM 0 HA TYR B 83 15.468 1.124 1.248 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.486 0.268 0.218 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.315 -0.073 -1.288 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.423 -1.061 2.337 1.00 0.82 H new ATOM 0 HD2 TYR B 83 15.020 -2.269 -1.708 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.851 -3.362 3.087 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.445 -4.569 -0.958 1.00 0.93 H new ATOM 0 HH TYR B 83 15.603 -5.958 0.748 1.00 1.02 H new ATOM 1775 N ASN B 84 17.544 -0.215 0.931 1.00 0.76 N ATOM 1776 CA ASN B 84 18.849 -0.844 0.799 1.00 0.84 C ATOM 1777 C ASN B 84 18.709 -2.351 0.976 1.00 0.93 C ATOM 1778 O ASN B 84 18.062 -2.817 1.915 1.00 0.95 O ATOM 1779 CB ASN B 84 19.855 -0.264 1.812 1.00 0.86 C ATOM 1780 CG ASN B 84 19.429 -0.437 3.263 1.00 1.63 C ATOM 1781 OD1 ASN B 84 18.244 -0.392 3.593 1.00 2.01 O ATOM 1782 ND2 ASN B 84 20.400 -0.634 4.145 1.00 2.53 N ATOM 0 H ASN B 84 17.170 -0.224 1.880 1.00 0.76 H new ATOM 0 HA ASN B 84 19.237 -0.636 -0.198 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.822 -0.745 1.666 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.993 0.798 1.607 1.00 0.86 H new ATOM 0 HD21 ASN B 84 20.175 -0.754 5.133 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.371 -0.666 3.836 1.00 2.53 H new ATOM 1789 N THR B 85 19.319 -3.110 0.078 1.00 1.07 N ATOM 1790 CA THR B 85 19.239 -4.569 0.116 1.00 1.20 C ATOM 1791 C THR B 85 20.168 -5.152 1.187 1.00 1.16 C ATOM 1792 O THR B 85 20.949 -6.070 0.922 1.00 1.39 O ATOM 1793 CB THR B 85 19.595 -5.171 -1.258 1.00 1.34 C ATOM 1794 OG1 THR B 85 19.409 -4.188 -2.289 1.00 1.53 O ATOM 1795 CG2 THR B 85 18.725 -6.383 -1.558 1.00 1.79 C ATOM 0 H THR B 85 19.878 -2.741 -0.691 1.00 1.07 H new ATOM 0 HA THR B 85 18.211 -4.831 0.368 1.00 1.20 H new ATOM 0 HB THR B 85 20.639 -5.483 -1.232 1.00 1.34 H new ATOM 0 HG1 THR B 85 20.193 -3.601 -2.327 1.00 1.53 H new ATOM 0 HG21 THR B 85 18.994 -6.791 -2.532 1.00 1.79 H new ATOM 0 HG22 THR B 85 18.881 -7.142 -0.791 1.00 1.79 H new ATOM 0 HG23 THR B 85 17.676 -6.085 -1.566 1.00 1.79 H new ATOM 1803 N SER B 86 20.093 -4.598 2.391 1.00 1.23 N ATOM 1804 CA SER B 86 20.911 -5.053 3.509 1.00 1.24 C ATOM 1805 C SER B 86 20.232 -4.724 4.837 1.00 1.22 C ATOM 1806 O SER B 86 20.861 -4.772 5.893 1.00 1.43 O ATOM 1807 CB SER B 86 22.293 -4.390 3.468 1.00 1.53 C ATOM 1808 OG SER B 86 22.780 -4.281 2.140 1.00 1.95 O ATOM 0 H SER B 86 19.468 -3.825 2.619 1.00 1.23 H new ATOM 0 HA SER B 86 21.028 -6.133 3.423 1.00 1.24 H new ATOM 0 HB2 SER B 86 22.235 -3.399 3.918 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.994 -4.971 4.067 1.00 1.53 H new ATOM 0 HG SER B 86 23.662 -3.853 2.149 1.00 1.95 H new ATOM 1814 N ASP B 87 18.939 -4.399 4.785 1.00 1.20 N ATOM 1815 CA ASP B 87 18.204 -4.047 5.997 1.00 1.43 C ATOM 1816 C ASP B 87 16.791 -4.623 5.970 1.00 1.19 C ATOM 1817 O ASP B 87 16.402 -5.290 5.009 1.00 1.33 O ATOM 1818 CB ASP B 87 18.139 -2.528 6.168 1.00 1.99 C ATOM 1819 CG ASP B 87 18.333 -2.104 7.609 1.00 2.54 C ATOM 1820 OD1 ASP B 87 17.764 -2.756 8.509 1.00 2.97 O ATOM 1821 OD2 ASP B 87 19.070 -1.124 7.849 1.00 2.92 O ATOM 0 H ASP B 87 18.387 -4.373 3.928 1.00 1.20 H new ATOM 0 HA ASP B 87 18.739 -4.478 6.843 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.905 -2.062 5.548 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.175 -2.165 5.811 1.00 1.99 H new ATOM 1826 N ASP B 88 16.024 -4.348 7.022 1.00 1.18 N ATOM 1827 CA ASP B 88 14.656 -4.848 7.133 1.00 1.09 C ATOM 1828 C ASP B 88 13.681 -3.919 6.419 1.00 0.98 C ATOM 1829 O ASP B 88 13.804 -2.698 6.514 1.00 0.95 O ATOM 1830 CB ASP B 88 14.254 -4.990 8.603 1.00 1.31 C ATOM 1831 CG ASP B 88 13.665 -6.349 8.912 1.00 1.86 C ATOM 1832 OD1 ASP B 88 12.477 -6.579 8.610 1.00 2.12 O ATOM 1833 OD2 ASP B 88 14.391 -7.203 9.456 1.00 2.55 O ATOM 0 H ASP B 88 16.328 -3.780 7.812 1.00 1.18 H new ATOM 0 HA ASP B 88 14.617 -5.828 6.658 1.00 1.09 H new ATOM 0 HB2 ASP B 88 15.128 -4.824 9.233 1.00 1.31 H new ATOM 0 HB3 ASP B 88 13.528 -4.217 8.854 1.00 1.31 H new ATOM 1838 N PRO B 89 12.691 -4.489 5.711 1.00 0.95 N ATOM 1839 CA PRO B 89 11.689 -3.721 4.961 1.00 0.90 C ATOM 1840 C PRO B 89 11.009 -2.629 5.787 1.00 0.89 C ATOM 1841 O PRO B 89 10.947 -1.475 5.362 1.00 0.85 O ATOM 1842 CB PRO B 89 10.658 -4.778 4.534 1.00 0.96 C ATOM 1843 CG PRO B 89 10.994 -6.005 5.313 1.00 0.79 C ATOM 1844 CD PRO B 89 12.467 -5.933 5.572 1.00 1.00 C ATOM 0 HA PRO B 89 12.154 -3.188 4.131 1.00 0.90 H new ATOM 0 HB2 PRO B 89 9.643 -4.444 4.748 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.712 -4.967 3.462 1.00 0.96 H new ATOM 0 HG2 PRO B 89 10.434 -6.041 6.247 1.00 0.79 H new ATOM 0 HG3 PRO B 89 10.739 -6.905 4.754 1.00 0.79 H new ATOM 0 HD2 PRO B 89 12.748 -6.477 6.474 1.00 1.00 H new ATOM 0 HD3 PRO B 89 13.045 -6.357 4.751 1.00 1.00 H new ATOM 1852 N TRP B 90 10.518 -2.986 6.967 1.00 0.97 N ATOM 1853 CA TRP B 90 9.834 -2.021 7.823 1.00 1.01 C ATOM 1854 C TRP B 90 10.804 -0.980 8.370 1.00 0.99 C ATOM 1855 O TRP B 90 10.421 0.156 8.633 1.00 0.96 O ATOM 1856 CB TRP B 90 9.112 -2.732 8.977 1.00 1.13 C ATOM 1857 CG TRP B 90 10.032 -3.365 9.980 1.00 1.32 C ATOM 1858 CD1 TRP B 90 10.577 -4.611 9.916 1.00 1.47 C ATOM 1859 CD2 TRP B 90 10.509 -2.778 11.201 1.00 2.16 C ATOM 1860 NE1 TRP B 90 11.372 -4.835 11.015 1.00 2.14 N ATOM 1861 CE2 TRP B 90 11.344 -3.723 11.817 1.00 2.56 C ATOM 1862 CE3 TRP B 90 10.312 -1.542 11.826 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 11.984 -3.474 13.028 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 10.947 -1.297 13.029 1.00 3.79 C ATOM 1865 CH2 TRP B 90 11.773 -2.258 13.620 1.00 4.06 C ATOM 0 H TRP B 90 10.579 -3.928 7.352 1.00 0.97 H new ATOM 0 HA TRP B 90 9.093 -1.506 7.211 1.00 1.01 H new ATOM 0 HB2 TRP B 90 8.473 -2.013 9.490 1.00 1.13 H new ATOM 0 HB3 TRP B 90 8.459 -3.501 8.564 1.00 1.13 H new ATOM 0 HD1 TRP B 90 10.409 -5.320 9.119 1.00 1.47 H new ATOM 0 HE1 TRP B 90 11.897 -5.689 11.203 1.00 2.14 H new ATOM 0 HE3 TRP B 90 9.676 -0.794 11.377 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 12.624 -4.214 13.484 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 10.803 -0.347 13.521 1.00 3.79 H new ATOM 0 HH2 TRP B 90 12.254 -2.037 14.561 1.00 4.06 H new ATOM 1876 N LEU B 91 12.066 -1.364 8.519 1.00 1.03 N ATOM 1877 CA LEU B 91 13.075 -0.458 9.047 1.00 1.05 C ATOM 1878 C LEU B 91 13.403 0.638 8.043 1.00 0.97 C ATOM 1879 O LEU B 91 13.415 1.821 8.387 1.00 0.99 O ATOM 1880 CB LEU B 91 14.343 -1.224 9.425 1.00 1.14 C ATOM 1881 CG LEU B 91 14.747 -1.130 10.900 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.004 -1.943 11.165 1.00 1.39 C ATOM 1883 CD2 LEU B 91 14.955 0.322 11.308 1.00 1.43 C ATOM 0 H LEU B 91 12.413 -2.294 8.282 1.00 1.03 H new ATOM 0 HA LEU B 91 12.668 0.009 9.944 1.00 1.05 H new ATOM 0 HB2 LEU B 91 14.203 -2.274 9.169 1.00 1.14 H new ATOM 0 HB3 LEU B 91 15.167 -0.854 8.815 1.00 1.14 H new ATOM 0 HG LEU B 91 13.938 -1.544 11.502 1.00 1.32 H new ATOM 0 HD11 LEU B 91 16.274 -1.863 12.218 1.00 1.39 H new ATOM 0 HD12 LEU B 91 15.821 -2.988 10.916 1.00 1.39 H new ATOM 0 HD13 LEU B 91 16.820 -1.562 10.551 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.241 0.367 12.359 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.744 0.762 10.698 1.00 1.43 H new ATOM 0 HD23 LEU B 91 14.029 0.878 11.160 1.00 1.43 H new ATOM 1895 N THR B 92 13.668 0.244 6.805 1.00 0.92 N ATOM 1896 CA THR B 92 13.984 1.204 5.760 1.00 0.88 C ATOM 1897 C THR B 92 12.760 2.052 5.430 1.00 0.81 C ATOM 1898 O THR B 92 12.875 3.248 5.156 1.00 0.82 O ATOM 1899 CB THR B 92 14.497 0.509 4.486 1.00 0.92 C ATOM 1900 OG1 THR B 92 15.103 -0.745 4.824 1.00 0.97 O ATOM 1901 CG2 THR B 92 15.512 1.385 3.773 1.00 1.06 C ATOM 0 H THR B 92 13.670 -0.730 6.502 1.00 0.92 H new ATOM 0 HA THR B 92 14.779 1.848 6.137 1.00 0.88 H new ATOM 0 HB THR B 92 13.650 0.338 3.822 1.00 0.92 H new ATOM 0 HG1 THR B 92 15.161 -1.307 4.023 1.00 0.97 H new ATOM 0 HG21 THR B 92 15.864 0.877 2.875 1.00 1.06 H new ATOM 0 HG22 THR B 92 15.046 2.331 3.496 1.00 1.06 H new ATOM 0 HG23 THR B 92 16.356 1.577 4.435 1.00 1.06 H new ATOM 1909 N ALA B 93 11.585 1.430 5.476 1.00 0.79 N ATOM 1910 CA ALA B 93 10.343 2.136 5.208 1.00 0.79 C ATOM 1911 C ALA B 93 10.086 3.182 6.289 1.00 0.84 C ATOM 1912 O ALA B 93 9.724 4.320 5.992 1.00 0.84 O ATOM 1913 CB ALA B 93 9.181 1.158 5.115 1.00 0.82 C ATOM 0 H ALA B 93 11.470 0.441 5.696 1.00 0.79 H new ATOM 0 HA ALA B 93 10.432 2.647 4.249 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.260 1.705 4.914 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.366 0.449 4.308 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.084 0.618 6.057 1.00 0.82 H new ATOM 1919 N TYR B 94 10.302 2.793 7.545 1.00 0.93 N ATOM 1920 CA TYR B 94 10.109 3.700 8.670 1.00 1.04 C ATOM 1921 C TYR B 94 11.133 4.829 8.611 1.00 1.05 C ATOM 1922 O TYR B 94 10.890 5.927 9.105 1.00 1.10 O ATOM 1923 CB TYR B 94 10.235 2.950 10.000 1.00 1.17 C ATOM 1924 CG TYR B 94 9.296 3.449 11.078 1.00 1.28 C ATOM 1925 CD1 TYR B 94 9.637 4.530 11.880 1.00 1.44 C ATOM 1926 CD2 TYR B 94 8.070 2.835 11.293 1.00 1.35 C ATOM 1927 CE1 TYR B 94 8.779 4.983 12.865 1.00 1.57 C ATOM 1928 CE2 TYR B 94 7.207 3.281 12.276 1.00 1.50 C ATOM 1929 CZ TYR B 94 7.566 4.355 13.059 1.00 1.57 C ATOM 1930 OH TYR B 94 6.706 4.809 14.038 1.00 1.76 O ATOM 0 H TYR B 94 10.610 1.857 7.806 1.00 0.93 H new ATOM 0 HA TYR B 94 9.106 4.121 8.605 1.00 1.04 H new ATOM 0 HB2 TYR B 94 10.044 1.891 9.828 1.00 1.17 H new ATOM 0 HB3 TYR B 94 11.261 3.035 10.358 1.00 1.17 H new ATOM 0 HD1 TYR B 94 10.586 5.024 11.732 1.00 1.44 H new ATOM 0 HD2 TYR B 94 7.785 1.993 10.680 1.00 1.35 H new ATOM 0 HE1 TYR B 94 9.057 5.826 13.480 1.00 1.57 H new ATOM 0 HE2 TYR B 94 6.257 2.790 12.429 1.00 1.50 H new ATOM 0 HH TYR B 94 5.896 4.258 14.043 1.00 1.76 H new ATOM 1940 N ASN B 95 12.278 4.546 8.000 1.00 1.03 N ATOM 1941 CA ASN B 95 13.342 5.534 7.857 1.00 1.08 C ATOM 1942 C ASN B 95 12.855 6.715 7.030 1.00 1.04 C ATOM 1943 O ASN B 95 13.011 7.870 7.424 1.00 1.12 O ATOM 1944 CB ASN B 95 14.574 4.906 7.203 1.00 1.08 C ATOM 1945 CG ASN B 95 15.693 4.640 8.189 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.605 5.451 8.344 1.00 1.22 O ATOM 1947 ND2 ASN B 95 15.634 3.502 8.862 1.00 1.47 N ATOM 0 H ASN B 95 12.494 3.636 7.594 1.00 1.03 H new ATOM 0 HA ASN B 95 13.619 5.888 8.850 1.00 1.08 H new ATOM 0 HB2 ASN B 95 14.288 3.969 6.725 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.939 5.567 6.417 1.00 1.08 H new ATOM 0 HD21 ASN B 95 16.362 3.271 9.538 1.00 1.47 H new ATOM 0 HD22 ASN B 95 14.861 2.856 8.704 1.00 1.47 H new ATOM 1954 N PHE B 96 12.243 6.424 5.890 1.00 0.93 N ATOM 1955 CA PHE B 96 11.723 7.474 5.029 1.00 0.91 C ATOM 1956 C PHE B 96 10.440 8.045 5.621 1.00 0.91 C ATOM 1957 O PHE B 96 10.172 9.246 5.512 1.00 0.92 O ATOM 1958 CB PHE B 96 11.456 6.948 3.617 1.00 0.88 C ATOM 1959 CG PHE B 96 10.886 7.994 2.700 1.00 0.97 C ATOM 1960 CD1 PHE B 96 11.684 9.017 2.219 1.00 1.16 C ATOM 1961 CD2 PHE B 96 9.550 7.964 2.334 1.00 0.99 C ATOM 1962 CE1 PHE B 96 11.164 9.988 1.388 1.00 1.32 C ATOM 1963 CE2 PHE B 96 9.024 8.934 1.504 1.00 1.19 C ATOM 1964 CZ PHE B 96 9.832 9.948 1.030 1.00 1.33 C ATOM 0 H PHE B 96 12.096 5.476 5.543 1.00 0.93 H new ATOM 0 HA PHE B 96 12.474 8.262 4.963 1.00 0.91 H new ATOM 0 HB2 PHE B 96 12.387 6.570 3.194 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.766 6.106 3.673 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.727 9.056 2.497 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.913 7.173 2.702 1.00 0.99 H new ATOM 0 HE1 PHE B 96 11.799 10.779 1.018 1.00 1.32 H new ATOM 0 HE2 PHE B 96 7.981 8.899 1.226 1.00 1.19 H new ATOM 0 HZ PHE B 96 9.423 10.708 0.381 1.00 1.33 H new ATOM 1974 N LEU B 97 9.660 7.176 6.258 1.00 0.93 N ATOM 1975 CA LEU B 97 8.401 7.574 6.875 1.00 1.00 C ATOM 1976 C LEU B 97 8.630 8.657 7.921 1.00 1.09 C ATOM 1977 O LEU B 97 7.805 9.550 8.087 1.00 1.10 O ATOM 1978 CB LEU B 97 7.709 6.368 7.517 1.00 1.06 C ATOM 1979 CG LEU B 97 6.183 6.387 7.438 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.709 5.914 6.073 1.00 1.30 C ATOM 1981 CD2 LEU B 97 5.586 5.528 8.539 1.00 1.48 C ATOM 0 H LEU B 97 9.881 6.185 6.360 1.00 0.93 H new ATOM 0 HA LEU B 97 7.756 7.975 6.093 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.072 5.460 7.036 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.004 6.313 8.565 1.00 1.06 H new ATOM 0 HG LEU B 97 5.844 7.413 7.578 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.620 5.935 6.039 1.00 1.30 H new ATOM 0 HD12 LEU B 97 6.109 6.571 5.301 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.058 4.896 5.899 1.00 1.30 H new ATOM 0 HD21 LEU B 97 4.498 5.552 8.470 1.00 1.48 H new ATOM 0 HD22 LEU B 97 5.934 4.501 8.429 1.00 1.48 H new ATOM 0 HD23 LEU B 97 5.896 5.914 9.510 1.00 1.48 H new ATOM 1993 N GLN B 98 9.752 8.583 8.621 1.00 1.19 N ATOM 1994 CA GLN B 98 10.070 9.578 9.637 1.00 1.31 C ATOM 1995 C GLN B 98 10.876 10.725 9.032 1.00 1.30 C ATOM 1996 O GLN B 98 10.996 11.790 9.628 1.00 1.39 O ATOM 1997 CB GLN B 98 10.837 8.940 10.797 1.00 1.43 C ATOM 1998 CG GLN B 98 12.246 8.502 10.435 1.00 2.02 C ATOM 1999 CD GLN B 98 12.890 7.663 11.518 1.00 2.69 C ATOM 2000 OE1 GLN B 98 13.553 8.185 12.412 1.00 2.73 O ATOM 2001 NE2 GLN B 98 12.695 6.360 11.449 1.00 3.60 N ATOM 0 H GLN B 98 10.453 7.851 8.507 1.00 1.19 H new ATOM 0 HA GLN B 98 9.134 9.980 10.024 1.00 1.31 H new ATOM 0 HB2 GLN B 98 10.888 9.652 11.621 1.00 1.43 H new ATOM 0 HB3 GLN B 98 10.279 8.075 11.157 1.00 1.43 H new ATOM 0 HG2 GLN B 98 12.218 7.931 9.507 1.00 2.02 H new ATOM 0 HG3 GLN B 98 12.860 9.383 10.249 1.00 2.02 H new ATOM 0 HE21 GLN B 98 12.138 5.967 10.690 1.00 3.60 H new ATOM 0 HE22 GLN B 98 13.101 5.745 12.154 1.00 3.60 H new ATOM 2010 N LYS B 99 11.425 10.502 7.843 1.00 1.21 N ATOM 2011 CA LYS B 99 12.208 11.528 7.167 1.00 1.23 C ATOM 2012 C LYS B 99 11.304 12.658 6.697 1.00 1.18 C ATOM 2013 O LYS B 99 11.571 13.831 6.951 1.00 1.22 O ATOM 2014 CB LYS B 99 12.966 10.933 5.975 1.00 1.19 C ATOM 2015 CG LYS B 99 13.947 11.902 5.333 1.00 1.18 C ATOM 2016 CD LYS B 99 13.929 11.807 3.814 1.00 1.26 C ATOM 2017 CE LYS B 99 14.819 12.867 3.180 1.00 1.39 C ATOM 2018 NZ LYS B 99 14.593 12.984 1.715 1.00 1.59 N ATOM 0 H LYS B 99 11.343 9.624 7.330 1.00 1.21 H new ATOM 0 HA LYS B 99 12.934 11.926 7.876 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.507 10.046 6.305 1.00 1.19 H new ATOM 0 HB3 LYS B 99 12.247 10.606 5.224 1.00 1.19 H new ATOM 0 HG2 LYS B 99 13.702 12.920 5.636 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.953 11.694 5.698 1.00 1.18 H new ATOM 0 HD2 LYS B 99 14.264 10.817 3.506 1.00 1.26 H new ATOM 0 HD3 LYS B 99 12.907 11.924 3.453 1.00 1.26 H new ATOM 0 HE2 LYS B 99 14.629 13.830 3.654 1.00 1.39 H new ATOM 0 HE3 LYS B 99 15.864 12.621 3.367 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 15.478 13.267 1.249 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 14.281 12.066 1.337 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 13.861 13.700 1.533 1.00 1.59 H new ATOM 2032 N ASN B 100 10.227 12.296 6.013 1.00 1.12 N ATOM 2033 CA ASN B 100 9.273 13.277 5.513 1.00 1.11 C ATOM 2034 C ASN B 100 8.084 13.375 6.463 1.00 1.13 C ATOM 2035 O ASN B 100 7.213 14.232 6.306 1.00 1.12 O ATOM 2036 CB ASN B 100 8.801 12.889 4.107 1.00 1.07 C ATOM 2037 CG ASN B 100 8.142 14.037 3.366 1.00 1.32 C ATOM 2038 OD1 ASN B 100 6.924 14.221 3.426 1.00 1.75 O ATOM 2039 ND2 ASN B 100 8.941 14.811 2.651 1.00 1.49 N ATOM 0 H ASN B 100 9.992 11.329 5.791 1.00 1.12 H new ATOM 0 HA ASN B 100 9.761 14.250 5.458 1.00 1.11 H new ATOM 0 HB2 ASN B 100 9.653 12.532 3.529 1.00 1.07 H new ATOM 0 HB3 ASN B 100 8.097 12.060 4.182 1.00 1.07 H new ATOM 0 HD21 ASN B 100 8.555 15.594 2.123 1.00 1.49 H new ATOM 0 HD22 ASN B 100 9.944 14.625 2.627 1.00 1.49 H new ATOM 2046 N ASP B 101 8.087 12.495 7.462 1.00 1.19 N ATOM 2047 CA ASP B 101 7.032 12.415 8.474 1.00 1.24 C ATOM 2048 C ASP B 101 5.677 12.124 7.842 1.00 1.23 C ATOM 2049 O ASP B 101 4.896 13.030 7.541 1.00 1.33 O ATOM 2050 CB ASP B 101 6.952 13.677 9.331 1.00 1.27 C ATOM 2051 CG ASP B 101 5.941 13.534 10.452 1.00 1.36 C ATOM 2052 OD1 ASP B 101 6.066 12.588 11.263 1.00 1.84 O ATOM 2053 OD2 ASP B 101 5.011 14.363 10.534 1.00 1.79 O ATOM 0 H ASP B 101 8.830 11.809 7.594 1.00 1.19 H new ATOM 0 HA ASP B 101 7.298 11.586 9.129 1.00 1.24 H new ATOM 0 HB2 ASP B 101 7.934 13.893 9.752 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.681 14.526 8.703 1.00 1.27 H new ATOM 2058 N LEU B 102 5.421 10.848 7.624 1.00 1.15 N ATOM 2059 CA LEU B 102 4.166 10.399 7.048 1.00 1.17 C ATOM 2060 C LEU B 102 3.367 9.651 8.105 1.00 1.23 C ATOM 2061 O LEU B 102 3.866 9.410 9.207 1.00 1.28 O ATOM 2062 CB LEU B 102 4.425 9.496 5.834 1.00 1.11 C ATOM 2063 CG LEU B 102 3.769 9.949 4.527 1.00 1.26 C ATOM 2064 CD1 LEU B 102 4.444 11.208 3.997 1.00 1.96 C ATOM 2065 CD2 LEU B 102 3.823 8.834 3.496 1.00 1.50 C ATOM 0 H LEU B 102 6.074 10.095 7.840 1.00 1.15 H new ATOM 0 HA LEU B 102 3.596 11.264 6.711 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.501 9.428 5.676 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.073 8.491 6.068 1.00 1.11 H new ATOM 0 HG LEU B 102 2.723 10.183 4.726 1.00 1.26 H new ATOM 0 HD11 LEU B 102 3.964 11.514 3.068 1.00 1.96 H new ATOM 0 HD12 LEU B 102 4.353 12.007 4.733 1.00 1.96 H new ATOM 0 HD13 LEU B 102 5.499 11.005 3.811 1.00 1.96 H new ATOM 0 HD21 LEU B 102 3.353 9.170 2.572 1.00 1.50 H new ATOM 0 HD22 LEU B 102 4.862 8.570 3.300 1.00 1.50 H new ATOM 0 HD23 LEU B 102 3.293 7.961 3.876 1.00 1.50 H new ATOM 2077 N ASN B 103 2.136 9.286 7.779 1.00 1.25 N ATOM 2078 CA ASN B 103 1.291 8.565 8.720 1.00 1.31 C ATOM 2079 C ASN B 103 1.759 7.116 8.860 1.00 1.23 C ATOM 2080 O ASN B 103 1.947 6.422 7.860 1.00 1.14 O ATOM 2081 CB ASN B 103 -0.174 8.609 8.279 1.00 1.37 C ATOM 2082 CG ASN B 103 -1.108 8.170 9.389 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -1.454 6.997 9.495 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -1.506 9.107 10.235 1.00 1.84 N ATOM 0 H ASN B 103 1.702 9.476 6.876 1.00 1.25 H new ATOM 0 HA ASN B 103 1.372 9.053 9.691 1.00 1.31 H new ATOM 0 HB2 ASN B 103 -0.430 9.622 7.968 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -0.312 7.964 7.411 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -2.123 8.865 11.010 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -1.195 10.071 10.112 1.00 1.84 H new ATOM 2091 N PRO B 104 1.952 6.650 10.108 1.00 1.29 N ATOM 2092 CA PRO B 104 2.412 5.280 10.401 1.00 1.25 C ATOM 2093 C PRO B 104 1.545 4.189 9.770 1.00 1.19 C ATOM 2094 O PRO B 104 2.017 3.080 9.520 1.00 1.15 O ATOM 2095 CB PRO B 104 2.337 5.199 11.930 1.00 1.34 C ATOM 2096 CG PRO B 104 2.446 6.609 12.391 1.00 1.55 C ATOM 2097 CD PRO B 104 1.764 7.438 11.341 1.00 1.41 C ATOM 0 HA PRO B 104 3.405 5.105 9.987 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.400 4.747 12.257 1.00 1.34 H new ATOM 0 HB3 PRO B 104 3.144 4.587 12.334 1.00 1.34 H new ATOM 0 HG2 PRO B 104 1.970 6.740 13.363 1.00 1.55 H new ATOM 0 HG3 PRO B 104 3.489 6.903 12.505 1.00 1.55 H new ATOM 0 HD2 PRO B 104 0.708 7.584 11.568 1.00 1.41 H new ATOM 0 HD3 PRO B 104 2.212 8.428 11.257 1.00 1.41 H new ATOM 2105 N MET B 105 0.285 4.500 9.502 1.00 1.21 N ATOM 2106 CA MET B 105 -0.626 3.529 8.903 1.00 1.20 C ATOM 2107 C MET B 105 -0.201 3.190 7.472 1.00 1.13 C ATOM 2108 O MET B 105 -0.524 2.123 6.950 1.00 1.16 O ATOM 2109 CB MET B 105 -2.061 4.063 8.917 1.00 1.27 C ATOM 2110 CG MET B 105 -3.113 3.032 8.532 1.00 1.26 C ATOM 2111 SD MET B 105 -3.168 1.630 9.666 1.00 1.64 S ATOM 2112 CE MET B 105 -4.685 0.835 9.141 1.00 1.78 C ATOM 0 H MET B 105 -0.131 5.413 9.688 1.00 1.21 H new ATOM 0 HA MET B 105 -0.585 2.616 9.497 1.00 1.20 H new ATOM 0 HB2 MET B 105 -2.287 4.441 9.914 1.00 1.27 H new ATOM 0 HB3 MET B 105 -2.129 4.908 8.232 1.00 1.27 H new ATOM 0 HG2 MET B 105 -4.092 3.511 8.506 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.909 2.670 7.524 1.00 1.26 H new ATOM 0 HE1 MET B 105 -4.878 -0.032 9.772 1.00 1.78 H new ATOM 0 HE2 MET B 105 -5.513 1.538 9.227 1.00 1.78 H new ATOM 0 HE3 MET B 105 -4.588 0.515 8.104 1.00 1.78 H new ATOM 2122 N PHE B 106 0.548 4.092 6.849 1.00 1.06 N ATOM 2123 CA PHE B 106 1.009 3.882 5.482 1.00 1.02 C ATOM 2124 C PHE B 106 2.294 3.062 5.454 1.00 0.94 C ATOM 2125 O PHE B 106 2.814 2.745 4.387 1.00 0.87 O ATOM 2126 CB PHE B 106 1.227 5.223 4.773 1.00 1.07 C ATOM 2127 CG PHE B 106 -0.049 5.914 4.381 1.00 1.15 C ATOM 2128 CD1 PHE B 106 -1.035 5.231 3.685 1.00 1.28 C ATOM 2129 CD2 PHE B 106 -0.264 7.244 4.710 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -2.210 5.863 3.320 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -1.437 7.880 4.348 1.00 1.45 C ATOM 2132 CZ PHE B 106 -2.412 7.189 3.652 1.00 1.49 C ATOM 0 H PHE B 106 0.848 4.973 7.267 1.00 1.06 H new ATOM 0 HA PHE B 106 0.235 3.325 4.954 1.00 1.02 H new ATOM 0 HB2 PHE B 106 1.800 5.881 5.427 1.00 1.07 H new ATOM 0 HB3 PHE B 106 1.830 5.058 3.880 1.00 1.07 H new ATOM 0 HD1 PHE B 106 -0.884 4.194 3.425 1.00 1.28 H new ATOM 0 HD2 PHE B 106 0.493 7.789 5.255 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -2.969 5.320 2.776 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -1.592 8.917 4.609 1.00 1.45 H new ATOM 0 HZ PHE B 106 -3.329 7.684 3.369 1.00 1.49 H new ATOM 2142 N LEU B 107 2.801 2.719 6.633 1.00 0.98 N ATOM 2143 CA LEU B 107 4.017 1.923 6.738 1.00 0.93 C ATOM 2144 C LEU B 107 3.761 0.506 6.239 1.00 0.89 C ATOM 2145 O LEU B 107 4.639 -0.139 5.669 1.00 0.84 O ATOM 2146 CB LEU B 107 4.502 1.875 8.191 1.00 1.01 C ATOM 2147 CG LEU B 107 5.636 0.887 8.470 1.00 0.95 C ATOM 2148 CD1 LEU B 107 6.975 1.469 8.049 1.00 0.94 C ATOM 2149 CD2 LEU B 107 5.655 0.501 9.940 1.00 1.08 C ATOM 0 H LEU B 107 2.389 2.980 7.529 1.00 0.98 H new ATOM 0 HA LEU B 107 4.787 2.389 6.122 1.00 0.93 H new ATOM 0 HB2 LEU B 107 4.833 2.873 8.479 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.656 1.622 8.831 1.00 1.01 H new ATOM 0 HG LEU B 107 5.459 -0.013 7.881 1.00 0.95 H new ATOM 0 HD11 LEU B 107 7.766 0.749 8.257 1.00 0.94 H new ATOM 0 HD12 LEU B 107 6.956 1.690 6.982 1.00 0.94 H new ATOM 0 HD13 LEU B 107 7.164 2.387 8.606 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.468 -0.202 10.121 1.00 1.08 H new ATOM 0 HD22 LEU B 107 5.805 1.393 10.548 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.706 0.035 10.206 1.00 1.08 H new ATOM 2161 N ASP B 108 2.538 0.044 6.440 1.00 0.96 N ATOM 2162 CA ASP B 108 2.146 -1.298 6.035 1.00 0.96 C ATOM 2163 C ASP B 108 2.239 -1.481 4.521 1.00 0.90 C ATOM 2164 O ASP B 108 2.924 -2.381 4.042 1.00 0.88 O ATOM 2165 CB ASP B 108 0.722 -1.591 6.512 1.00 1.09 C ATOM 2166 CG ASP B 108 0.309 -3.028 6.273 1.00 1.08 C ATOM 2167 OD1 ASP B 108 1.073 -3.940 6.641 1.00 1.22 O ATOM 2168 OD2 ASP B 108 -0.792 -3.252 5.733 1.00 1.40 O ATOM 0 H ASP B 108 1.794 0.582 6.884 1.00 0.96 H new ATOM 0 HA ASP B 108 2.838 -2.002 6.497 1.00 0.96 H new ATOM 0 HB2 ASP B 108 0.647 -1.368 7.576 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.027 -0.927 5.997 1.00 1.09 H new ATOM 2173 N GLN B 109 1.581 -0.599 3.775 1.00 0.91 N ATOM 2174 CA GLN B 109 1.558 -0.690 2.317 1.00 0.90 C ATOM 2175 C GLN B 109 2.954 -0.585 1.693 1.00 0.86 C ATOM 2176 O GLN B 109 3.247 -1.269 0.712 1.00 0.91 O ATOM 2177 CB GLN B 109 0.637 0.382 1.724 1.00 0.96 C ATOM 2178 CG GLN B 109 1.064 1.811 2.033 1.00 0.92 C ATOM 2179 CD GLN B 109 0.333 2.836 1.192 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -0.814 2.634 0.803 1.00 1.34 O ATOM 2181 NE2 GLN B 109 0.997 3.945 0.903 1.00 1.66 N ATOM 0 H GLN B 109 1.056 0.188 4.156 1.00 0.91 H new ATOM 0 HA GLN B 109 1.170 -1.679 2.074 1.00 0.90 H new ATOM 0 HB2 GLN B 109 0.596 0.252 0.642 1.00 0.96 H new ATOM 0 HB3 GLN B 109 -0.374 0.227 2.102 1.00 0.96 H new ATOM 0 HG2 GLN B 109 0.885 2.019 3.088 1.00 0.92 H new ATOM 0 HG3 GLN B 109 2.137 1.909 1.866 1.00 0.92 H new ATOM 0 HE21 GLN B 109 1.949 4.074 1.246 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.556 4.670 0.337 1.00 1.66 H new ATOM 2190 N VAL B 110 3.819 0.250 2.261 1.00 0.80 N ATOM 2191 CA VAL B 110 5.161 0.423 1.707 1.00 0.79 C ATOM 2192 C VAL B 110 6.080 -0.735 2.092 1.00 0.76 C ATOM 2193 O VAL B 110 6.898 -1.174 1.283 1.00 0.79 O ATOM 2194 CB VAL B 110 5.804 1.770 2.115 1.00 0.80 C ATOM 2195 CG1 VAL B 110 5.047 2.929 1.486 1.00 0.91 C ATOM 2196 CG2 VAL B 110 5.856 1.927 3.627 1.00 0.75 C ATOM 0 H VAL B 110 3.622 0.810 3.091 1.00 0.80 H new ATOM 0 HA VAL B 110 5.041 0.430 0.624 1.00 0.79 H new ATOM 0 HB VAL B 110 6.829 1.776 1.746 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.511 3.870 1.782 1.00 0.91 H new ATOM 0 HG12 VAL B 110 5.076 2.836 0.400 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.011 2.913 1.824 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.313 2.884 3.878 1.00 0.75 H new ATOM 0 HG22 VAL B 110 4.844 1.891 4.032 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.447 1.118 4.057 1.00 0.75 H new ATOM 2206 N ALA B 111 5.932 -1.243 3.310 1.00 0.75 N ATOM 2207 CA ALA B 111 6.763 -2.348 3.776 1.00 0.75 C ATOM 2208 C ALA B 111 6.403 -3.644 3.056 1.00 0.75 C ATOM 2209 O ALA B 111 7.281 -4.426 2.695 1.00 0.75 O ATOM 2210 CB ALA B 111 6.635 -2.526 5.282 1.00 0.77 C ATOM 0 H ALA B 111 5.248 -0.910 3.990 1.00 0.75 H new ATOM 0 HA ALA B 111 7.800 -2.104 3.545 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.264 -3.356 5.605 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.953 -1.613 5.785 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.596 -2.737 5.536 1.00 0.77 H new ATOM 2216 N LYS B 112 5.107 -3.853 2.844 1.00 0.76 N ATOM 2217 CA LYS B 112 4.617 -5.049 2.167 1.00 0.77 C ATOM 2218 C LYS B 112 5.191 -5.158 0.758 1.00 0.78 C ATOM 2219 O LYS B 112 5.566 -6.245 0.321 1.00 0.83 O ATOM 2220 CB LYS B 112 3.087 -5.038 2.105 1.00 0.80 C ATOM 2221 CG LYS B 112 2.412 -5.263 3.450 1.00 0.85 C ATOM 2222 CD LYS B 112 2.336 -6.738 3.808 1.00 0.93 C ATOM 2223 CE LYS B 112 1.734 -6.949 5.192 1.00 1.04 C ATOM 2224 NZ LYS B 112 0.505 -6.136 5.394 1.00 1.14 N ATOM 0 H LYS B 112 4.374 -3.206 3.133 1.00 0.76 H new ATOM 0 HA LYS B 112 4.946 -5.915 2.741 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.757 -4.082 1.700 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.756 -5.810 1.410 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.962 -4.729 4.225 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.406 -4.843 3.426 1.00 0.85 H new ATOM 0 HD2 LYS B 112 1.735 -7.263 3.065 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.335 -7.173 3.775 1.00 0.93 H new ATOM 0 HE2 LYS B 112 1.497 -8.004 5.327 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.471 -6.688 5.952 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.694 -5.388 6.092 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 0.223 -5.704 4.491 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 -0.262 -6.747 5.740 1.00 1.14 H new ATOM 2238 N PHE B 113 5.277 -4.028 0.062 1.00 0.78 N ATOM 2239 CA PHE B 113 5.808 -4.006 -1.299 1.00 0.83 C ATOM 2240 C PHE B 113 7.266 -4.452 -1.308 1.00 0.84 C ATOM 2241 O PHE B 113 7.687 -5.219 -2.171 1.00 0.95 O ATOM 2242 CB PHE B 113 5.683 -2.605 -1.904 1.00 0.87 C ATOM 2243 CG PHE B 113 5.826 -2.582 -3.402 1.00 1.11 C ATOM 2244 CD1 PHE B 113 7.079 -2.518 -3.994 1.00 1.29 C ATOM 2245 CD2 PHE B 113 4.707 -2.620 -4.215 1.00 1.76 C ATOM 2246 CE1 PHE B 113 7.212 -2.497 -5.371 1.00 1.57 C ATOM 2247 CE2 PHE B 113 4.833 -2.600 -5.592 1.00 2.06 C ATOM 2248 CZ PHE B 113 6.085 -2.538 -6.171 1.00 1.78 C ATOM 0 H PHE B 113 4.987 -3.117 0.416 1.00 0.78 H new ATOM 0 HA PHE B 113 5.224 -4.699 -1.905 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.714 -2.186 -1.633 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.443 -1.959 -1.465 1.00 0.87 H new ATOM 0 HD1 PHE B 113 7.961 -2.484 -3.372 1.00 1.29 H new ATOM 0 HD2 PHE B 113 3.724 -2.666 -3.769 1.00 1.76 H new ATOM 0 HE1 PHE B 113 8.193 -2.449 -5.820 1.00 1.57 H new ATOM 0 HE2 PHE B 113 3.951 -2.633 -6.215 1.00 2.06 H new ATOM 0 HZ PHE B 113 6.184 -2.522 -7.246 1.00 1.78 H new ATOM 2258 N ILE B 114 8.031 -3.971 -0.333 1.00 0.75 N ATOM 2259 CA ILE B 114 9.440 -4.327 -0.225 1.00 0.79 C ATOM 2260 C ILE B 114 9.590 -5.834 -0.005 1.00 0.85 C ATOM 2261 O ILE B 114 10.518 -6.466 -0.514 1.00 0.93 O ATOM 2262 CB ILE B 114 10.122 -3.563 0.929 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.961 -2.050 0.741 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.597 -3.932 1.015 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.455 -1.233 1.919 1.00 0.69 C ATOM 0 H ILE B 114 7.699 -3.335 0.392 1.00 0.75 H new ATOM 0 HA ILE B 114 9.927 -4.047 -1.159 1.00 0.79 H new ATOM 0 HB ILE B 114 9.638 -3.849 1.863 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.503 -1.744 -0.154 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.909 -1.824 0.569 1.00 0.72 H new ATOM 0 HG21 ILE B 114 12.062 -3.384 1.834 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.694 -5.003 1.194 1.00 0.89 H new ATOM 0 HG23 ILE B 114 12.092 -3.674 0.079 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.309 -0.173 1.713 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.897 -1.510 2.813 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.515 -1.429 2.078 1.00 0.69 H new ATOM 2277 N ILE B 115 8.657 -6.403 0.748 1.00 0.84 N ATOM 2278 CA ILE B 115 8.664 -7.828 1.029 1.00 0.90 C ATOM 2279 C ILE B 115 8.255 -8.623 -0.210 1.00 0.98 C ATOM 2280 O ILE B 115 8.838 -9.666 -0.510 1.00 1.05 O ATOM 2281 CB ILE B 115 7.712 -8.178 2.197 1.00 0.89 C ATOM 2282 CG1 ILE B 115 8.102 -7.402 3.456 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.726 -9.676 2.471 1.00 0.95 C ATOM 2284 CD1 ILE B 115 7.068 -7.476 4.561 1.00 0.95 C ATOM 0 H ILE B 115 7.883 -5.894 1.176 1.00 0.84 H new ATOM 0 HA ILE B 115 9.681 -8.097 1.315 1.00 0.90 H new ATOM 0 HB ILE B 115 6.700 -7.890 1.912 1.00 0.89 H new ATOM 0 HG12 ILE B 115 9.050 -7.788 3.831 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.265 -6.357 3.192 1.00 0.91 H new ATOM 0 HG21 ILE B 115 7.050 -9.901 3.296 1.00 0.95 H new ATOM 0 HG22 ILE B 115 7.402 -10.212 1.579 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.737 -9.988 2.734 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.413 -6.903 5.421 1.00 0.95 H new ATOM 0 HD12 ILE B 115 6.124 -7.063 4.205 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.922 -8.516 4.853 1.00 0.95 H new ATOM 2296 N ASP B 116 7.271 -8.103 -0.942 1.00 1.03 N ATOM 2297 CA ASP B 116 6.763 -8.771 -2.138 1.00 1.15 C ATOM 2298 C ASP B 116 7.820 -8.861 -3.231 1.00 1.08 C ATOM 2299 O ASP B 116 7.814 -9.806 -4.023 1.00 1.16 O ATOM 2300 CB ASP B 116 5.519 -8.068 -2.675 1.00 1.29 C ATOM 2301 CG ASP B 116 4.457 -9.061 -3.098 1.00 1.56 C ATOM 2302 OD1 ASP B 116 4.611 -9.694 -4.162 1.00 2.13 O ATOM 2303 OD2 ASP B 116 3.471 -9.235 -2.348 1.00 1.57 O ATOM 0 H ASP B 116 6.809 -7.219 -0.727 1.00 1.03 H new ATOM 0 HA ASP B 116 6.495 -9.785 -1.842 1.00 1.15 H new ATOM 0 HB2 ASP B 116 5.115 -7.406 -1.909 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.792 -7.442 -3.525 1.00 1.29 H new ATOM 2308 N ASN B 117 8.729 -7.889 -3.266 1.00 0.95 N ATOM 2309 CA ASN B 117 9.802 -7.881 -4.260 1.00 0.93 C ATOM 2310 C ASN B 117 10.610 -9.171 -4.178 1.00 0.95 C ATOM 2311 O ASN B 117 11.046 -9.719 -5.191 1.00 1.00 O ATOM 2312 CB ASN B 117 10.720 -6.670 -4.041 1.00 0.97 C ATOM 2313 CG ASN B 117 11.886 -6.627 -5.018 1.00 1.17 C ATOM 2314 OD1 ASN B 117 11.770 -6.082 -6.115 1.00 1.29 O ATOM 2315 ND2 ASN B 117 13.022 -7.183 -4.620 1.00 1.38 N ATOM 0 H ASN B 117 8.745 -7.099 -2.621 1.00 0.95 H new ATOM 0 HA ASN B 117 9.355 -7.810 -5.252 1.00 0.93 H new ATOM 0 HB2 ASN B 117 10.136 -5.755 -4.140 1.00 0.97 H new ATOM 0 HB3 ASN B 117 11.107 -6.693 -3.022 1.00 0.97 H new ATOM 0 HD21 ASN B 117 13.839 -7.168 -5.231 1.00 1.38 H new ATOM 0 HD22 ASN B 117 13.079 -7.626 -3.703 1.00 1.38 H new ATOM 2322 N THR B 118 10.786 -9.662 -2.959 1.00 1.00 N ATOM 2323 CA THR B 118 11.527 -10.888 -2.725 1.00 1.12 C ATOM 2324 C THR B 118 10.564 -12.003 -2.318 1.00 1.21 C ATOM 2325 O THR B 118 10.947 -12.987 -1.683 1.00 1.37 O ATOM 2326 CB THR B 118 12.590 -10.680 -1.626 1.00 1.19 C ATOM 2327 OG1 THR B 118 13.017 -9.305 -1.617 1.00 1.29 O ATOM 2328 CG2 THR B 118 13.794 -11.588 -1.846 1.00 1.57 C ATOM 0 H THR B 118 10.422 -9.224 -2.113 1.00 1.00 H new ATOM 0 HA THR B 118 12.036 -11.170 -3.647 1.00 1.12 H new ATOM 0 HB THR B 118 12.141 -10.933 -0.666 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.691 -9.176 -0.917 1.00 1.29 H new ATOM 0 HG21 THR B 118 14.526 -11.419 -1.056 1.00 1.57 H new ATOM 0 HG22 THR B 118 13.473 -12.629 -1.826 1.00 1.57 H new ATOM 0 HG23 THR B 118 14.245 -11.366 -2.813 1.00 1.57 H new ATOM 2336 N LYS B 119 9.306 -11.843 -2.707 1.00 1.22 N ATOM 2337 CA LYS B 119 8.274 -12.811 -2.388 1.00 1.37 C ATOM 2338 C LYS B 119 7.768 -13.470 -3.661 1.00 1.41 C ATOM 2339 O LYS B 119 7.848 -12.883 -4.743 1.00 1.65 O ATOM 2340 CB LYS B 119 7.122 -12.117 -1.664 1.00 1.44 C ATOM 2341 CG LYS B 119 6.375 -13.005 -0.686 1.00 1.57 C ATOM 2342 CD LYS B 119 5.200 -12.268 -0.062 1.00 1.83 C ATOM 2343 CE LYS B 119 4.010 -12.225 -1.009 1.00 1.82 C ATOM 2344 NZ LYS B 119 3.028 -11.176 -0.627 1.00 1.87 N ATOM 0 H LYS B 119 8.977 -11.044 -3.248 1.00 1.22 H new ATOM 0 HA LYS B 119 8.693 -13.579 -1.737 1.00 1.37 H new ATOM 0 HB2 LYS B 119 7.514 -11.253 -1.127 1.00 1.44 H new ATOM 0 HB3 LYS B 119 6.418 -11.739 -2.405 1.00 1.44 H new ATOM 0 HG2 LYS B 119 6.017 -13.897 -1.201 1.00 1.57 H new ATOM 0 HG3 LYS B 119 7.055 -13.341 0.097 1.00 1.57 H new ATOM 0 HD2 LYS B 119 4.911 -12.760 0.867 1.00 1.83 H new ATOM 0 HD3 LYS B 119 5.500 -11.252 0.195 1.00 1.83 H new ATOM 0 HE2 LYS B 119 4.362 -12.039 -2.024 1.00 1.82 H new ATOM 0 HE3 LYS B 119 3.517 -13.197 -1.015 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 2.072 -11.480 -0.900 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 3.064 -11.025 0.401 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 3.261 -10.288 -1.115 1.00 1.87 H new ATOM 2358 N GLY B 120 7.240 -14.682 -3.534 1.00 1.52 N ATOM 2359 CA GLY B 120 6.732 -15.403 -4.685 1.00 1.69 C ATOM 2360 C GLY B 120 5.342 -14.955 -5.089 1.00 1.69 C ATOM 2361 O GLY B 120 4.430 -15.775 -5.206 1.00 2.16 O ATOM 0 H GLY B 120 7.155 -15.180 -2.648 1.00 1.52 H new ATOM 0 HA2 GLY B 120 7.413 -15.264 -5.525 1.00 1.69 H new ATOM 0 HA3 GLY B 120 6.715 -16.470 -4.462 1.00 1.69 H new ATOM 2365 N GLN B 121 5.172 -13.655 -5.292 1.00 1.54 N ATOM 2366 CA GLN B 121 3.881 -13.111 -5.690 1.00 1.83 C ATOM 2367 C GLN B 121 4.037 -12.177 -6.889 1.00 1.53 C ATOM 2368 O GLN B 121 3.575 -12.493 -7.986 1.00 1.76 O ATOM 2369 CB GLN B 121 3.212 -12.384 -4.522 1.00 2.41 C ATOM 2370 CG GLN B 121 1.958 -11.622 -4.920 1.00 3.25 C ATOM 2371 CD GLN B 121 0.978 -11.464 -3.778 1.00 3.93 C ATOM 2372 OE1 GLN B 121 0.087 -12.294 -3.599 1.00 4.44 O ATOM 2373 NE2 GLN B 121 1.141 -10.416 -2.987 1.00 4.31 N ATOM 0 H GLN B 121 5.910 -12.959 -5.188 1.00 1.54 H new ATOM 0 HA GLN B 121 3.239 -13.941 -5.984 1.00 1.83 H new ATOM 0 HB2 GLN B 121 2.957 -13.111 -3.751 1.00 2.41 H new ATOM 0 HB3 GLN B 121 3.926 -11.688 -4.081 1.00 2.41 H new ATOM 0 HG2 GLN B 121 2.240 -10.636 -5.289 1.00 3.25 H new ATOM 0 HG3 GLN B 121 1.468 -12.143 -5.743 1.00 3.25 H new ATOM 0 HE21 GLN B 121 1.892 -9.751 -3.170 1.00 4.31 H new ATOM 0 HE22 GLN B 121 0.515 -10.273 -2.194 1.00 4.31 H new ATOM 2382 N MET B 122 4.671 -11.025 -6.682 1.00 1.52 N ATOM 2383 CA MET B 122 4.874 -10.072 -7.773 1.00 1.72 C ATOM 2384 C MET B 122 6.061 -10.472 -8.643 1.00 1.91 C ATOM 2385 O MET B 122 6.166 -10.043 -9.791 1.00 2.38 O ATOM 2386 CB MET B 122 5.066 -8.647 -7.239 1.00 2.18 C ATOM 2387 CG MET B 122 6.432 -8.393 -6.617 1.00 2.58 C ATOM 2388 SD MET B 122 6.815 -6.636 -6.460 1.00 3.62 S ATOM 2389 CE MET B 122 7.000 -6.168 -8.181 1.00 3.50 C ATOM 0 H MET B 122 5.049 -10.730 -5.782 1.00 1.52 H new ATOM 0 HA MET B 122 3.975 -10.090 -8.389 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.914 -7.941 -8.056 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.296 -8.443 -6.494 1.00 2.18 H new ATOM 0 HG2 MET B 122 6.469 -8.858 -5.632 1.00 2.58 H new ATOM 0 HG3 MET B 122 7.198 -8.874 -7.225 1.00 2.58 H new ATOM 0 HE1 MET B 122 7.847 -5.490 -8.285 1.00 3.50 H new ATOM 0 HE2 MET B 122 7.173 -7.059 -8.784 1.00 3.50 H new ATOM 0 HE3 MET B 122 6.092 -5.670 -8.522 1.00 3.50 H new ATOM 2399 N LEU B 123 6.953 -11.288 -8.093 1.00 1.78 N ATOM 2400 CA LEU B 123 8.129 -11.740 -8.826 1.00 2.20 C ATOM 2401 C LEU B 123 8.440 -13.200 -8.514 1.00 2.10 C ATOM 2402 O LEU B 123 8.084 -14.099 -9.278 1.00 2.50 O ATOM 2403 CB LEU B 123 9.339 -10.863 -8.492 1.00 2.59 C ATOM 2404 CG LEU B 123 9.359 -9.491 -9.170 1.00 3.35 C ATOM 2405 CD1 LEU B 123 10.379 -8.582 -8.506 1.00 3.97 C ATOM 2406 CD2 LEU B 123 9.664 -9.632 -10.653 1.00 3.91 C ATOM 0 H LEU B 123 6.884 -11.650 -7.142 1.00 1.78 H new ATOM 0 HA LEU B 123 7.913 -11.654 -9.891 1.00 2.20 H new ATOM 0 HB2 LEU B 123 9.374 -10.717 -7.412 1.00 2.59 H new ATOM 0 HB3 LEU B 123 10.245 -11.401 -8.771 1.00 2.59 H new ATOM 0 HG LEU B 123 8.372 -9.042 -9.061 1.00 3.35 H new ATOM 0 HD11 LEU B 123 10.379 -7.611 -9.002 1.00 3.97 H new ATOM 0 HD12 LEU B 123 10.121 -8.453 -7.455 1.00 3.97 H new ATOM 0 HD13 LEU B 123 11.370 -9.029 -8.584 1.00 3.97 H new ATOM 0 HD21 LEU B 123 9.674 -8.646 -11.118 1.00 3.91 H new ATOM 0 HD22 LEU B 123 10.639 -10.103 -10.781 1.00 3.91 H new ATOM 0 HD23 LEU B 123 8.898 -10.248 -11.125 1.00 3.91 H new ATOM 2418 N GLY B 124 9.096 -13.427 -7.383 1.00 1.96 N ATOM 2419 CA GLY B 124 9.457 -14.775 -6.991 1.00 2.12 C ATOM 2420 C GLY B 124 10.845 -15.157 -7.468 1.00 1.96 C ATOM 2421 O GLY B 124 11.101 -15.214 -8.672 1.00 2.47 O ATOM 0 H GLY B 124 9.385 -12.700 -6.729 1.00 1.96 H new ATOM 0 HA2 GLY B 124 9.411 -14.861 -5.905 1.00 2.12 H new ATOM 0 HA3 GLY B 124 8.729 -15.477 -7.397 1.00 2.12 H new ATOM 2425 N LEU B 125 11.743 -15.409 -6.527 1.00 1.78 N ATOM 2426 CA LEU B 125 13.110 -15.782 -6.857 1.00 2.12 C ATOM 2427 C LEU B 125 13.642 -16.794 -5.849 1.00 2.14 C ATOM 2428 O LEU B 125 13.680 -16.529 -4.646 1.00 2.27 O ATOM 2429 CB LEU B 125 14.020 -14.544 -6.915 1.00 3.02 C ATOM 2430 CG LEU B 125 13.948 -13.610 -5.704 1.00 3.66 C ATOM 2431 CD1 LEU B 125 15.322 -13.457 -5.064 1.00 4.66 C ATOM 2432 CD2 LEU B 125 13.391 -12.253 -6.111 1.00 4.04 C ATOM 0 H LEU B 125 11.549 -15.362 -5.527 1.00 1.78 H new ATOM 0 HA LEU B 125 13.109 -16.244 -7.844 1.00 2.12 H new ATOM 0 HB2 LEU B 125 15.051 -14.879 -7.032 1.00 3.02 H new ATOM 0 HB3 LEU B 125 13.768 -13.972 -7.808 1.00 3.02 H new ATOM 0 HG LEU B 125 13.276 -14.050 -4.968 1.00 3.66 H new ATOM 0 HD11 LEU B 125 15.251 -12.790 -4.205 1.00 4.66 H new ATOM 0 HD12 LEU B 125 15.682 -14.433 -4.737 1.00 4.66 H new ATOM 0 HD13 LEU B 125 16.018 -13.039 -5.792 1.00 4.66 H new ATOM 0 HD21 LEU B 125 13.347 -11.601 -5.238 1.00 4.04 H new ATOM 0 HD22 LEU B 125 14.038 -11.806 -6.865 1.00 4.04 H new ATOM 0 HD23 LEU B 125 12.389 -12.379 -6.521 1.00 4.04 H new ATOM 2444 N GLY B 126 14.036 -17.955 -6.347 1.00 2.65 N ATOM 2445 CA GLY B 126 14.557 -18.996 -5.485 1.00 3.11 C ATOM 2446 C GLY B 126 14.031 -20.363 -5.862 1.00 3.37 C ATOM 2447 O GLY B 126 13.544 -21.099 -5.006 1.00 3.85 O ATOM 0 H GLY B 126 14.004 -18.197 -7.337 1.00 2.65 H new ATOM 0 HA2 GLY B 126 15.646 -18.999 -5.539 1.00 3.11 H new ATOM 0 HA3 GLY B 126 14.290 -18.778 -4.451 1.00 3.11 H new ATOM 2451 N ASN B 127 14.122 -20.683 -7.150 1.00 3.48 N ATOM 2452 CA ASN B 127 13.661 -21.969 -7.687 1.00 4.24 C ATOM 2453 C ASN B 127 12.186 -22.233 -7.362 1.00 4.48 C ATOM 2454 O ASN B 127 11.868 -23.041 -6.486 1.00 5.16 O ATOM 2455 CB ASN B 127 14.527 -23.115 -7.150 1.00 4.70 C ATOM 2456 CG ASN B 127 14.390 -24.387 -7.966 1.00 5.60 C ATOM 2457 OD1 ASN B 127 15.143 -24.613 -8.915 1.00 5.93 O ATOM 2458 ND2 ASN B 127 13.439 -25.231 -7.594 1.00 6.21 N ATOM 0 H ASN B 127 14.517 -20.061 -7.855 1.00 3.48 H new ATOM 0 HA ASN B 127 13.758 -21.918 -8.771 1.00 4.24 H new ATOM 0 HB2 ASN B 127 15.571 -22.803 -7.144 1.00 4.70 H new ATOM 0 HB3 ASN B 127 14.250 -23.320 -6.116 1.00 4.70 H new ATOM 0 HD21 ASN B 127 13.309 -26.107 -8.099 1.00 6.21 H new ATOM 0 HD22 ASN B 127 12.837 -25.005 -6.802 1.00 6.21 H new ATOM 2465 N PRO B 128 11.265 -21.549 -8.056 1.00 4.21 N ATOM 2466 CA PRO B 128 9.828 -21.728 -7.839 1.00 4.77 C ATOM 2467 C PRO B 128 9.318 -23.037 -8.436 1.00 5.08 C ATOM 2468 O PRO B 128 8.424 -23.665 -7.832 1.00 5.69 O ATOM 2469 CB PRO B 128 9.211 -20.528 -8.557 1.00 4.57 C ATOM 2470 CG PRO B 128 10.186 -20.179 -9.627 1.00 3.97 C ATOM 2471 CD PRO B 128 11.547 -20.544 -9.097 1.00 3.70 C ATOM 2472 OXT PRO B 128 9.822 -23.441 -9.510 1.00 4.92 O ATOM 0 HA PRO B 128 9.573 -21.780 -6.781 1.00 4.77 H new ATOM 0 HB2 PRO B 128 8.236 -20.777 -8.977 1.00 4.57 H new ATOM 0 HB3 PRO B 128 9.060 -19.693 -7.873 1.00 4.57 H new ATOM 0 HG2 PRO B 128 9.967 -20.725 -10.545 1.00 3.97 H new ATOM 0 HG3 PRO B 128 10.135 -19.117 -9.868 1.00 3.97 H new ATOM 0 HD2 PRO B 128 12.185 -20.950 -9.882 1.00 3.70 H new ATOM 0 HD3 PRO B 128 12.061 -19.676 -8.685 1.00 3.70 H new TER 2480 PRO B 128