USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 138 THR OG1 : rot 87:sc= 0.543 USER MOD Set 1.2: A 142 GLN : amide:sc= -5.39! C(o=-4.8!,f=-5.7!) USER MOD Set 2.1: A 41 MET CE :methyl -116:sc= -2.27 (180deg=-0.173) USER MOD Set 2.2: A 122 TYR OH : rot 0:sc= -3.07 USER MOD Set 3.1: A 111 MET CE :methyl -157:sc= -6.03! (180deg=-8.84!) USER MOD Set 3.2: A 114 HIS : no HE2:sc= -5.05 K(o=-11,f=-9.8!) USER MOD Set 4.1: A 51 SER OG : rot -87:sc= -0.0246 USER MOD Set 4.2: A 52 HIS : no HE2:sc= -8.47! C(o=-8.5!,f=-9.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 14 ASN : amide:sc= -1.33 K(o=-1.3,f=0.034) USER MOD Single : A 20 THR OG1 : rot -21:sc= 1.08 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -120:sc= -1.36 USER MOD Single : A 33 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 55 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 57 THR OG1 : rot 98:sc= 1.02 USER MOD Single : A 58 TYR OH : rot 164:sc= 1.44 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= -0.341 (180deg=-0.502) USER MOD Single : A 65 THR OG1 : rot 24:sc= 0.359 USER MOD Single : A 66 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.9!) USER MOD Single : A 69 SER OG : rot -47:sc= -1.01 USER MOD Single : A 74 CYS SG : rot 121:sc= -0.913 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.825 K(o=-0.82,f=-7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.98! C(o=-2!,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -167:sc= -3.16 (180deg=-4.48!) USER MOD Single : A 107 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-4.5!) USER MOD Single : A 110 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0.024) USER MOD Single : A 116 SER OG : rot 94:sc= -1.03 USER MOD Single : A 118 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.12) USER MOD Single : A 124 HIS : no HE2:sc= -3.97 K(o=-2.6,f=-11!) USER MOD Single : A 133 MET CE :methyl 175:sc= -7.72! (180deg=-7.77!) USER MOD Single : A 135 SER OG : rot 88:sc= 0.426 USER MOD Single : A 139 GLN : amide:sc= -6.33! C(o=-6.3!,f=-4!) USER MOD Single : A 141 MET CE :methyl 144:sc= -6.94! (180deg=-8.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 7.957 4.903 -15.064 1.00 1.94 N ATOM 2 CA SER A 3 6.532 4.481 -15.068 1.00 1.63 C ATOM 3 C SER A 3 6.062 4.109 -13.663 1.00 1.31 C ATOM 4 O SER A 3 5.816 2.938 -13.366 1.00 1.66 O ATOM 5 CB SER A 3 6.380 3.288 -16.015 1.00 1.81 C ATOM 6 OG SER A 3 5.790 3.681 -17.241 1.00 2.13 O ATOM 0 HA SER A 3 5.913 5.310 -15.409 1.00 1.63 H new ATOM 0 HB2 SER A 3 7.357 2.843 -16.204 1.00 1.81 H new ATOM 0 HB3 SER A 3 5.767 2.521 -15.542 1.00 1.81 H new ATOM 0 HG SER A 3 5.706 2.901 -17.828 1.00 2.13 H new ATOM 12 N VAL A 4 5.939 5.113 -12.802 1.00 1.30 N ATOM 13 CA VAL A 4 5.497 4.890 -11.432 1.00 1.06 C ATOM 14 C VAL A 4 3.981 5.032 -11.323 1.00 0.93 C ATOM 15 O VAL A 4 3.427 6.106 -11.556 1.00 1.44 O ATOM 16 CB VAL A 4 6.185 5.863 -10.448 1.00 1.68 C ATOM 17 CG1 VAL A 4 6.011 7.307 -10.894 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.656 5.666 -9.033 1.00 2.29 C ATOM 0 H VAL A 4 6.139 6.087 -13.029 1.00 1.30 H new ATOM 0 HA VAL A 4 5.781 3.873 -11.162 1.00 1.06 H new ATOM 0 HB VAL A 4 7.252 5.639 -10.447 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.505 7.969 -10.183 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.454 7.439 -11.881 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.949 7.549 -10.938 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.155 6.362 -8.358 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.582 5.852 -9.017 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.852 4.644 -8.710 1.00 2.29 H new ATOM 22 N LEU A 5 3.315 3.936 -10.975 1.00 0.94 N ATOM 23 CA LEU A 5 1.863 3.935 -10.843 1.00 1.34 C ATOM 24 C LEU A 5 1.442 3.482 -9.449 1.00 1.09 C ATOM 25 O LEU A 5 2.031 2.564 -8.878 1.00 1.34 O ATOM 26 CB LEU A 5 1.235 3.023 -11.898 1.00 2.05 C ATOM 27 CG LEU A 5 -0.191 3.392 -12.310 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.205 4.722 -13.047 1.00 3.92 C ATOM 29 CD2 LEU A 5 -0.795 2.296 -13.173 1.00 3.33 C ATOM 0 H LEU A 5 3.757 3.038 -10.779 1.00 0.94 H new ATOM 0 HA LEU A 5 1.510 4.955 -10.996 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.867 3.032 -12.786 1.00 2.05 H new ATOM 0 HB3 LEU A 5 1.234 2.001 -11.518 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.796 3.493 -11.409 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.228 4.969 -13.333 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.189 5.503 -12.396 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.414 4.649 -13.941 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -1.810 2.574 -13.457 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.190 2.164 -14.070 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -0.819 1.362 -12.611 1.00 3.33 H new ATOM 35 N VAL A 6 0.417 4.132 -8.908 1.00 0.88 N ATOM 36 CA VAL A 6 -0.087 3.798 -7.583 1.00 0.75 C ATOM 37 C VAL A 6 -1.604 3.954 -7.525 1.00 0.75 C ATOM 38 O VAL A 6 -2.162 4.893 -8.092 1.00 1.03 O ATOM 39 CB VAL A 6 0.558 4.684 -6.498 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.235 6.150 -6.741 1.00 1.26 C ATOM 41 CG2 VAL A 6 0.108 4.250 -5.108 1.00 1.02 C ATOM 0 H VAL A 6 -0.081 4.894 -9.368 1.00 0.88 H new ATOM 0 HA VAL A 6 0.177 2.758 -7.390 1.00 0.75 H new ATOM 0 HB VAL A 6 1.640 4.562 -6.555 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.699 6.758 -5.965 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.619 6.450 -7.716 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.845 6.293 -6.717 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.575 4.889 -4.358 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.976 4.336 -5.033 1.00 1.02 H new ATOM 0 HG23 VAL A 6 0.403 3.215 -4.937 1.00 1.02 H new ATOM 45 N ASP A 7 -2.267 3.026 -6.843 1.00 0.72 N ATOM 46 CA ASP A 7 -3.720 3.062 -6.722 1.00 0.83 C ATOM 47 C ASP A 7 -4.155 3.034 -5.259 1.00 0.75 C ATOM 48 O ASP A 7 -3.925 2.056 -4.549 1.00 0.99 O ATOM 49 CB ASP A 7 -4.342 1.884 -7.477 1.00 1.02 C ATOM 50 CG ASP A 7 -5.285 2.335 -8.575 1.00 1.78 C ATOM 51 OD1 ASP A 7 -4.796 2.784 -9.632 1.00 2.33 O ATOM 52 OD2 ASP A 7 -6.515 2.237 -8.378 1.00 2.52 O ATOM 0 H ASP A 7 -1.822 2.241 -6.367 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.071 3.996 -7.161 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -3.549 1.274 -7.910 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -4.883 1.251 -6.774 1.00 1.02 H new ATOM 57 N LEU A 8 -4.795 4.114 -4.821 1.00 0.63 N ATOM 58 CA LEU A 8 -5.277 4.219 -3.448 1.00 0.74 C ATOM 59 C LEU A 8 -6.798 4.129 -3.413 1.00 0.59 C ATOM 60 O LEU A 8 -7.489 5.048 -3.851 1.00 0.79 O ATOM 61 CB LEU A 8 -4.819 5.541 -2.824 1.00 1.20 C ATOM 62 CG LEU A 8 -4.174 5.426 -1.441 1.00 0.83 C ATOM 63 CD1 LEU A 8 -5.004 4.534 -0.531 1.00 1.78 C ATOM 64 CD2 LEU A 8 -2.755 4.895 -1.560 1.00 1.52 C ATOM 0 H LEU A 8 -4.992 4.931 -5.399 1.00 0.63 H new ATOM 0 HA LEU A 8 -4.861 3.393 -2.871 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -4.107 6.015 -3.500 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -5.680 6.206 -2.751 1.00 1.20 H new ATOM 0 HG LEU A 8 -4.135 6.421 -0.998 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -4.527 4.467 0.447 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -6.002 4.957 -0.419 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -5.079 3.538 -0.968 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -2.310 4.819 -0.568 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -2.773 3.910 -2.026 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -2.162 5.575 -2.172 1.00 1.52 H new ATOM 70 N GLN A 9 -7.321 3.021 -2.896 1.00 0.65 N ATOM 71 CA GLN A 9 -8.770 2.838 -2.824 1.00 0.80 C ATOM 72 C GLN A 9 -9.227 2.520 -1.405 1.00 0.79 C ATOM 73 O GLN A 9 -8.530 1.841 -0.651 1.00 0.81 O ATOM 74 CB GLN A 9 -9.214 1.726 -3.778 1.00 1.03 C ATOM 75 CG GLN A 9 -8.299 0.513 -3.776 1.00 1.27 C ATOM 76 CD GLN A 9 -8.533 -0.394 -4.968 1.00 1.82 C ATOM 77 OE1 GLN A 9 -9.549 -0.287 -5.654 1.00 2.23 O ATOM 78 NE2 GLN A 9 -7.589 -1.292 -5.223 1.00 2.59 N ATOM 0 H GLN A 9 -6.773 2.245 -2.525 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.235 3.777 -3.124 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -10.222 1.410 -3.508 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.266 2.128 -4.790 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -7.261 0.845 -3.775 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -8.454 -0.053 -2.857 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -6.762 -1.346 -4.628 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.690 -1.928 -6.014 1.00 2.59 H new ATOM 85 N ILE A 10 -10.412 3.011 -1.054 1.00 0.83 N ATOM 86 CA ILE A 10 -10.980 2.779 0.267 1.00 0.86 C ATOM 87 C ILE A 10 -12.355 2.129 0.155 1.00 1.02 C ATOM 88 O ILE A 10 -13.035 2.268 -0.862 1.00 1.23 O ATOM 89 CB ILE A 10 -11.095 4.092 1.080 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.071 3.788 2.582 1.00 1.21 C ATOM 91 CG2 ILE A 10 -12.362 4.857 0.708 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.270 5.008 3.455 1.00 1.19 C ATOM 0 H ILE A 10 -10.998 3.574 -1.670 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.302 2.107 0.794 1.00 0.86 H new ATOM 0 HB ILE A 10 -10.239 4.722 0.836 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -11.850 3.060 2.808 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.118 3.324 2.834 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -12.418 5.775 1.293 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.339 5.104 -0.353 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.235 4.239 0.918 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.241 4.713 4.504 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -10.477 5.729 3.258 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -12.236 5.461 3.232 1.00 1.19 H new ATOM 96 N ALA A 11 -12.761 1.423 1.201 1.00 0.97 N ATOM 97 CA ALA A 11 -14.055 0.759 1.208 1.00 1.15 C ATOM 98 C ALA A 11 -14.688 0.811 2.594 1.00 1.15 C ATOM 99 O ALA A 11 -14.951 -0.221 3.212 1.00 1.32 O ATOM 100 CB ALA A 11 -13.907 -0.677 0.728 1.00 1.30 C ATOM 0 H ALA A 11 -12.214 1.296 2.053 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.720 1.286 0.524 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.881 -1.166 0.737 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.508 -0.682 -0.286 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.226 -1.213 1.389 1.00 1.30 H new ATOM 106 N THR A 12 -14.930 2.024 3.079 1.00 1.10 N ATOM 107 CA THR A 12 -15.532 2.216 4.391 1.00 1.29 C ATOM 108 C THR A 12 -16.981 2.672 4.267 1.00 1.72 C ATOM 109 O THR A 12 -17.518 2.782 3.165 1.00 2.07 O ATOM 110 CB THR A 12 -14.734 3.240 5.199 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.090 4.164 4.339 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.672 2.613 6.075 1.00 1.29 C ATOM 0 H THR A 12 -14.718 2.889 2.582 1.00 1.10 H new ATOM 0 HA THR A 12 -15.514 1.258 4.911 1.00 1.29 H new ATOM 0 HB THR A 12 -15.464 3.737 5.838 1.00 1.15 H new ATOM 0 HG1 THR A 12 -13.586 4.812 4.874 1.00 1.78 H new ATOM 0 HG21 THR A 12 -13.143 3.394 6.621 1.00 1.29 H new ATOM 0 HG22 THR A 12 -14.141 1.930 6.783 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.966 2.063 5.453 1.00 1.29 H new ATOM 117 N GLU A 13 -17.605 2.936 5.408 1.00 2.10 N ATOM 118 CA GLU A 13 -18.992 3.384 5.440 1.00 2.62 C ATOM 119 C GLU A 13 -19.075 4.869 5.778 1.00 2.49 C ATOM 120 O GLU A 13 -19.823 5.619 5.149 1.00 2.85 O ATOM 121 CB GLU A 13 -19.790 2.571 6.460 1.00 3.24 C ATOM 122 CG GLU A 13 -19.167 2.555 7.847 1.00 3.89 C ATOM 123 CD GLU A 13 -19.979 1.749 8.842 1.00 4.72 C ATOM 124 OE1 GLU A 13 -20.616 0.760 8.424 1.00 5.17 O ATOM 125 OE2 GLU A 13 -19.976 2.107 10.039 1.00 5.27 O ATOM 0 H GLU A 13 -17.171 2.847 6.327 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.421 3.230 4.450 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.798 2.979 6.528 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.884 1.546 6.101 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -18.161 2.141 7.784 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -19.068 3.578 8.209 1.00 3.89 H new ATOM 132 N ASN A 14 -18.301 5.286 6.774 1.00 2.26 N ATOM 133 CA ASN A 14 -18.285 6.682 7.198 1.00 2.51 C ATOM 134 C ASN A 14 -17.176 6.928 8.216 1.00 1.99 C ATOM 135 O ASN A 14 -17.163 6.332 9.293 1.00 1.78 O ATOM 136 CB ASN A 14 -19.639 7.075 7.795 1.00 3.10 C ATOM 137 CG ASN A 14 -20.187 6.022 8.738 1.00 3.79 C ATOM 138 OD1 ASN A 14 -19.483 5.535 9.623 1.00 4.30 O ATOM 139 ND2 ASN A 14 -21.452 5.664 8.553 1.00 4.18 N ATOM 0 H ASN A 14 -17.676 4.678 7.303 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.092 7.299 6.320 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.536 8.019 8.330 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.353 7.242 6.989 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -21.876 4.960 9.157 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -22.000 6.093 7.807 1.00 4.18 H new ATOM 144 N ILE A 15 -16.247 7.812 7.867 1.00 2.45 N ATOM 145 CA ILE A 15 -15.133 8.140 8.749 1.00 2.24 C ATOM 146 C ILE A 15 -14.929 9.648 8.834 1.00 1.60 C ATOM 147 O ILE A 15 -15.679 10.421 8.238 1.00 1.92 O ATOM 148 CB ILE A 15 -13.813 7.484 8.281 1.00 3.00 C ATOM 149 CG1 ILE A 15 -13.832 7.236 6.770 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.573 6.185 9.034 1.00 3.77 C ATOM 151 CD1 ILE A 15 -13.951 8.503 5.950 1.00 3.61 C ATOM 0 H ILE A 15 -16.244 8.314 6.979 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.391 7.747 9.732 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.994 8.169 8.500 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -12.919 6.713 6.485 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -14.666 6.577 6.529 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.640 5.734 8.694 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -13.509 6.390 10.103 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -14.398 5.498 8.846 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -13.958 8.251 4.890 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -14.877 9.017 6.207 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.103 9.155 6.162 1.00 3.61 H new ATOM 155 N GLU A 16 -13.904 10.060 9.572 1.00 1.45 N ATOM 156 CA GLU A 16 -13.595 11.474 9.727 1.00 1.67 C ATOM 157 C GLU A 16 -12.787 11.978 8.535 1.00 1.94 C ATOM 158 O GLU A 16 -11.672 12.478 8.690 1.00 2.67 O ATOM 159 CB GLU A 16 -12.819 11.708 11.025 1.00 2.11 C ATOM 160 CG GLU A 16 -13.177 13.012 11.721 1.00 3.11 C ATOM 161 CD GLU A 16 -12.261 13.319 12.890 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.448 12.714 13.966 1.00 4.53 O ATOM 163 OE2 GLU A 16 -11.359 14.167 12.729 1.00 4.13 O ATOM 0 H GLU A 16 -13.273 9.433 10.072 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.532 12.029 9.772 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.008 10.878 11.706 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -11.751 11.704 10.806 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.128 13.829 11.001 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -14.207 12.960 12.075 1.00 3.11 H new ATOM 170 N GLY A 17 -13.356 11.834 7.342 1.00 1.95 N ATOM 171 CA GLY A 17 -12.678 12.271 6.138 1.00 2.86 C ATOM 172 C GLY A 17 -12.124 11.110 5.334 1.00 2.74 C ATOM 173 O GLY A 17 -11.412 10.260 5.868 1.00 3.16 O ATOM 0 H GLY A 17 -14.276 11.422 7.189 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.372 12.840 5.519 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.864 12.945 6.406 1.00 2.86 H new ATOM 177 N LEU A 18 -12.449 11.077 4.046 1.00 2.64 N ATOM 178 CA LEU A 18 -11.975 10.014 3.165 1.00 2.63 C ATOM 179 C LEU A 18 -10.499 10.223 2.834 1.00 2.01 C ATOM 180 O LEU A 18 -9.984 11.334 2.951 1.00 2.22 O ATOM 181 CB LEU A 18 -12.807 9.975 1.878 1.00 3.46 C ATOM 182 CG LEU A 18 -14.281 9.585 2.057 1.00 3.97 C ATOM 183 CD1 LEU A 18 -14.406 8.178 2.622 1.00 4.46 C ATOM 184 CD2 LEU A 18 -14.996 10.582 2.957 1.00 4.91 C ATOM 0 H LEU A 18 -13.038 11.773 3.589 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.088 9.060 3.680 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -12.763 10.957 1.408 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -12.344 9.270 1.187 1.00 3.46 H new ATOM 0 HG LEU A 18 -14.754 9.603 1.075 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -15.460 7.925 2.740 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -13.937 7.469 1.940 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -13.911 8.130 3.592 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -16.039 10.287 3.070 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -14.515 10.599 3.935 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -14.947 11.575 2.511 1.00 4.91 H new ATOM 190 N PRO A 19 -9.792 9.156 2.424 1.00 1.58 N ATOM 191 CA PRO A 19 -8.372 9.239 2.089 1.00 1.46 C ATOM 192 C PRO A 19 -8.132 9.811 0.696 1.00 1.48 C ATOM 193 O PRO A 19 -7.285 10.684 0.513 1.00 2.32 O ATOM 194 CB PRO A 19 -7.922 7.782 2.165 1.00 1.63 C ATOM 195 CG PRO A 19 -9.126 6.997 1.780 1.00 1.84 C ATOM 196 CD PRO A 19 -10.316 7.786 2.260 1.00 1.84 C ATOM 0 HA PRO A 19 -7.826 9.907 2.755 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.090 7.588 1.489 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.584 7.523 3.168 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.166 6.851 0.701 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.107 6.007 2.235 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.133 7.755 1.539 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.704 7.392 3.199 1.00 1.84 H new ATOM 204 N THR A 20 -8.886 9.313 -0.281 1.00 1.19 N ATOM 205 CA THR A 20 -8.760 9.770 -1.661 1.00 1.25 C ATOM 206 C THR A 20 -7.353 9.519 -2.193 1.00 1.21 C ATOM 207 O THR A 20 -6.363 9.897 -1.569 1.00 1.19 O ATOM 208 CB THR A 20 -9.101 11.259 -1.768 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.988 12.059 -1.409 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.268 11.675 -0.897 1.00 2.03 C ATOM 0 H THR A 20 -9.592 8.591 -0.141 1.00 1.19 H new ATOM 0 HA THR A 20 -9.465 9.201 -2.267 1.00 1.25 H new ATOM 0 HB THR A 20 -9.377 11.414 -2.811 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.371 11.533 -0.859 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.454 12.742 -1.023 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.157 11.115 -1.188 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.034 11.468 0.147 1.00 2.03 H new ATOM 215 N GLU A 21 -7.270 8.877 -3.352 1.00 1.30 N ATOM 216 CA GLU A 21 -5.983 8.577 -3.965 1.00 1.28 C ATOM 217 C GLU A 21 -5.225 9.855 -4.298 1.00 1.19 C ATOM 218 O GLU A 21 -4.029 9.960 -4.037 1.00 1.10 O ATOM 219 CB GLU A 21 -6.170 7.731 -5.228 1.00 1.44 C ATOM 220 CG GLU A 21 -7.335 8.173 -6.100 1.00 1.56 C ATOM 221 CD GLU A 21 -8.426 7.124 -6.194 1.00 1.94 C ATOM 222 OE1 GLU A 21 -9.222 7.007 -5.239 1.00 2.54 O ATOM 223 OE2 GLU A 21 -8.483 6.418 -7.223 1.00 2.04 O ATOM 0 H GLU A 21 -8.078 8.555 -3.885 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.396 8.007 -3.245 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.254 7.768 -5.817 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.320 6.691 -4.938 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.756 9.094 -5.697 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.968 8.401 -7.101 1.00 1.56 H new ATOM 230 N GLU A 22 -5.923 10.830 -4.873 1.00 1.24 N ATOM 231 CA GLU A 22 -5.302 12.101 -5.237 1.00 1.18 C ATOM 232 C GLU A 22 -4.440 12.638 -4.097 1.00 1.05 C ATOM 233 O GLU A 22 -3.255 12.918 -4.278 1.00 0.99 O ATOM 234 CB GLU A 22 -6.373 13.126 -5.611 1.00 1.26 C ATOM 235 CG GLU A 22 -6.017 13.961 -6.831 1.00 1.93 C ATOM 236 CD GLU A 22 -7.235 14.570 -7.496 1.00 2.47 C ATOM 237 OE1 GLU A 22 -8.318 13.950 -7.433 1.00 3.23 O ATOM 238 OE2 GLU A 22 -7.107 15.667 -8.080 1.00 2.76 O ATOM 0 H GLU A 22 -6.916 10.765 -5.097 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.658 11.927 -6.099 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -7.312 12.606 -5.799 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -6.540 13.790 -4.763 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.333 14.757 -6.535 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.488 13.337 -7.552 1.00 1.93 H new ATOM 245 N GLN A 23 -5.043 12.769 -2.920 1.00 1.02 N ATOM 246 CA GLN A 23 -4.332 13.266 -1.747 1.00 0.93 C ATOM 247 C GLN A 23 -3.159 12.359 -1.394 1.00 0.82 C ATOM 248 O GLN A 23 -1.999 12.753 -1.513 1.00 0.77 O ATOM 249 CB GLN A 23 -5.284 13.377 -0.555 1.00 0.99 C ATOM 250 CG GLN A 23 -4.655 14.026 0.668 1.00 0.97 C ATOM 251 CD GLN A 23 -5.350 15.312 1.070 1.00 1.14 C ATOM 252 OE1 GLN A 23 -6.501 15.300 1.505 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.652 16.433 0.925 1.00 1.09 N ATOM 0 H GLN A 23 -6.022 12.538 -2.753 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.942 14.256 -1.984 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -6.159 13.954 -0.852 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.635 12.380 -0.287 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.685 13.325 1.502 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -3.605 14.234 0.464 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.700 16.397 0.560 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -5.068 17.329 1.178 1.00 1.09 H new ATOM 260 N ILE A 24 -3.467 11.142 -0.955 1.00 0.83 N ATOM 261 CA ILE A 24 -2.437 10.175 -0.581 1.00 0.74 C ATOM 262 C ILE A 24 -1.392 10.027 -1.682 1.00 0.69 C ATOM 263 O ILE A 24 -0.213 10.332 -1.484 1.00 0.67 O ATOM 264 CB ILE A 24 -3.045 8.790 -0.282 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.233 8.914 0.675 1.00 1.01 C ATOM 266 CG2 ILE A 24 -1.988 7.863 0.299 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.940 9.746 1.905 1.00 1.43 C ATOM 0 H ILE A 24 -4.422 10.801 -0.849 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.961 10.559 0.321 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.405 8.364 -1.218 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -5.074 9.356 0.140 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.542 7.916 0.987 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.432 6.889 0.505 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.173 7.747 -0.416 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.600 8.288 1.225 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.828 9.789 2.535 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -3.120 9.294 2.463 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.660 10.755 1.603 1.00 1.43 H new ATOM 271 N VAL A 25 -1.835 9.553 -2.844 1.00 0.77 N ATOM 272 CA VAL A 25 -0.949 9.358 -3.985 1.00 0.77 C ATOM 273 C VAL A 25 -0.082 10.590 -4.232 1.00 0.74 C ATOM 274 O VAL A 25 1.144 10.507 -4.193 1.00 0.73 O ATOM 275 CB VAL A 25 -1.745 9.028 -5.266 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.820 8.910 -6.468 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.546 7.747 -5.078 1.00 1.45 C ATOM 0 H VAL A 25 -2.807 9.296 -3.019 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.304 8.514 -3.742 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.439 9.847 -5.455 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.406 8.677 -7.357 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.295 9.853 -6.617 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.095 8.115 -6.293 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.102 7.528 -5.990 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -1.867 6.922 -4.860 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.243 7.872 -4.250 1.00 1.45 H new ATOM 281 N GLN A 26 -0.721 11.728 -4.486 1.00 0.76 N ATOM 282 CA GLN A 26 0.008 12.967 -4.741 1.00 0.77 C ATOM 283 C GLN A 26 0.931 13.311 -3.576 1.00 0.72 C ATOM 284 O GLN A 26 2.119 13.559 -3.762 1.00 0.71 O ATOM 285 CB GLN A 26 -0.965 14.120 -4.989 1.00 0.85 C ATOM 286 CG GLN A 26 -0.304 15.358 -5.577 1.00 0.94 C ATOM 287 CD GLN A 26 -0.994 15.848 -6.835 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.787 16.789 -6.796 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.696 15.209 -7.960 1.00 2.19 N ATOM 0 H GLN A 26 -1.736 11.819 -4.521 1.00 0.76 H new ATOM 0 HA GLN A 26 0.617 12.817 -5.632 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.751 13.782 -5.664 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -1.446 14.387 -4.048 1.00 0.85 H new ATOM 0 HG2 GLN A 26 -0.306 16.154 -4.833 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.739 15.136 -5.803 1.00 0.94 H new ATOM 0 HE21 GLN A 26 -0.033 14.434 -7.946 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -1.130 15.493 -8.838 1.00 2.19 H new ATOM 296 N TRP A 27 0.382 13.329 -2.371 1.00 0.74 N ATOM 297 CA TRP A 27 1.167 13.652 -1.186 1.00 0.76 C ATOM 298 C TRP A 27 2.443 12.806 -1.121 1.00 0.69 C ATOM 299 O TRP A 27 3.554 13.338 -1.165 1.00 0.67 O ATOM 300 CB TRP A 27 0.309 13.440 0.069 1.00 0.92 C ATOM 301 CG TRP A 27 1.093 13.215 1.328 1.00 0.87 C ATOM 302 CD1 TRP A 27 0.961 12.167 2.194 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.120 14.054 1.867 1.00 0.79 C ATOM 304 NE1 TRP A 27 1.844 12.303 3.236 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.567 13.452 3.058 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.707 15.255 1.457 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.572 14.010 3.842 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.705 15.807 2.238 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.129 15.183 3.419 1.00 0.87 C ATOM 0 H TRP A 27 -0.600 13.125 -2.187 1.00 0.74 H new ATOM 0 HA TRP A 27 1.471 14.697 -1.240 1.00 0.76 H new ATOM 0 HB2 TRP A 27 -0.333 14.310 0.206 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.346 12.584 -0.094 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.264 11.351 2.076 1.00 1.06 H new ATOM 0 HE1 TRP A 27 1.945 11.654 4.016 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.387 15.742 0.548 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.900 13.532 4.753 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.166 16.735 1.933 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.912 15.639 4.007 1.00 0.87 H new ATOM 320 N ALA A 28 2.278 11.491 -1.027 1.00 0.70 N ATOM 321 CA ALA A 28 3.421 10.588 -0.952 1.00 0.72 C ATOM 322 C ALA A 28 3.985 10.270 -2.335 1.00 0.68 C ATOM 323 O ALA A 28 5.026 10.798 -2.731 1.00 0.73 O ATOM 324 CB ALA A 28 3.030 9.309 -0.230 1.00 0.78 C ATOM 0 H ALA A 28 1.369 11.028 -1.001 1.00 0.70 H new ATOM 0 HA ALA A 28 4.206 11.092 -0.388 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.891 8.642 -0.180 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.697 9.549 0.780 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.222 8.818 -0.772 1.00 0.78 H new ATOM 330 N THR A 29 3.298 9.395 -3.062 1.00 0.63 N ATOM 331 CA THR A 29 3.738 8.997 -4.394 1.00 0.67 C ATOM 332 C THR A 29 4.007 10.212 -5.281 1.00 0.64 C ATOM 333 O THR A 29 4.794 10.136 -6.224 1.00 0.72 O ATOM 334 CB THR A 29 2.702 8.083 -5.051 1.00 0.69 C ATOM 335 OG1 THR A 29 1.729 7.668 -4.108 1.00 1.02 O ATOM 336 CG2 THR A 29 3.311 6.837 -5.658 1.00 0.74 C ATOM 0 H THR A 29 2.435 8.948 -2.751 1.00 0.63 H new ATOM 0 HA THR A 29 4.673 8.449 -4.282 1.00 0.67 H new ATOM 0 HB THR A 29 2.252 8.677 -5.846 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.737 6.690 -4.039 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.525 6.230 -6.108 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.034 7.121 -6.423 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.813 6.262 -4.880 1.00 0.74 H new ATOM 341 N GLY A 30 3.353 11.330 -4.977 1.00 0.60 N ATOM 342 CA GLY A 30 3.552 12.530 -5.766 1.00 0.64 C ATOM 343 C GLY A 30 4.945 13.095 -5.601 1.00 0.66 C ATOM 344 O GLY A 30 5.649 13.319 -6.585 1.00 0.72 O ATOM 0 H GLY A 30 2.694 11.425 -4.204 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.375 12.305 -6.818 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.819 13.282 -5.473 1.00 0.64 H new ATOM 348 N ALA A 31 5.355 13.318 -4.353 1.00 0.65 N ATOM 349 CA ALA A 31 6.685 13.850 -4.081 1.00 0.73 C ATOM 350 C ALA A 31 7.765 12.978 -4.725 1.00 0.75 C ATOM 351 O ALA A 31 8.880 13.437 -4.971 1.00 0.83 O ATOM 352 CB ALA A 31 6.913 13.956 -2.580 1.00 0.82 C ATOM 0 H ALA A 31 4.790 13.140 -3.523 1.00 0.65 H new ATOM 0 HA ALA A 31 6.750 14.847 -4.517 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.910 14.355 -2.391 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.167 14.621 -2.145 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.825 12.968 -2.128 1.00 0.82 H new ATOM 358 N VAL A 32 7.425 11.717 -4.986 1.00 0.76 N ATOM 359 CA VAL A 32 8.362 10.776 -5.594 1.00 0.87 C ATOM 360 C VAL A 32 8.283 10.792 -7.122 1.00 0.91 C ATOM 361 O VAL A 32 9.233 10.403 -7.802 1.00 1.03 O ATOM 362 CB VAL A 32 8.095 9.344 -5.089 1.00 1.04 C ATOM 363 CG1 VAL A 32 9.020 8.341 -5.768 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.248 9.285 -3.578 1.00 1.23 C ATOM 0 H VAL A 32 6.506 11.323 -4.785 1.00 0.76 H new ATOM 0 HA VAL A 32 9.363 11.093 -5.300 1.00 0.87 H new ATOM 0 HB VAL A 32 7.071 9.074 -5.346 1.00 1.04 H new ATOM 0 HG11 VAL A 32 8.809 7.340 -5.393 1.00 1.07 H new ATOM 0 HG12 VAL A 32 8.856 8.366 -6.845 1.00 1.07 H new ATOM 0 HG13 VAL A 32 10.057 8.599 -5.552 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.057 8.269 -3.232 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.261 9.577 -3.303 1.00 1.23 H new ATOM 0 HG23 VAL A 32 7.535 9.966 -3.113 1.00 1.23 H new ATOM 368 N GLN A 33 7.148 11.232 -7.654 1.00 0.90 N ATOM 369 CA GLN A 33 6.945 11.286 -9.101 1.00 1.04 C ATOM 370 C GLN A 33 8.154 11.873 -9.837 1.00 1.07 C ATOM 371 O GLN A 33 8.698 11.239 -10.740 1.00 1.22 O ATOM 372 CB GLN A 33 5.695 12.103 -9.429 1.00 1.22 C ATOM 373 CG GLN A 33 4.395 11.374 -9.128 1.00 1.37 C ATOM 374 CD GLN A 33 4.355 9.975 -9.711 1.00 1.19 C ATOM 375 OE1 GLN A 33 4.287 9.795 -10.926 1.00 1.67 O ATOM 376 NE2 GLN A 33 4.399 8.973 -8.839 1.00 1.88 N ATOM 0 H GLN A 33 6.352 11.557 -7.106 1.00 0.90 H new ATOM 0 HA GLN A 33 6.816 10.260 -9.445 1.00 1.04 H new ATOM 0 HB2 GLN A 33 5.720 13.033 -8.862 1.00 1.22 H new ATOM 0 HB3 GLN A 33 5.714 12.373 -10.485 1.00 1.22 H new ATOM 0 HG2 GLN A 33 4.258 11.316 -8.048 1.00 1.37 H new ATOM 0 HG3 GLN A 33 3.560 11.952 -9.525 1.00 1.37 H new ATOM 0 HE21 GLN A 33 4.455 9.169 -7.840 1.00 1.88 H new ATOM 0 HE22 GLN A 33 4.377 8.008 -9.169 1.00 1.88 H new ATOM 383 N PRO A 34 8.586 13.097 -9.473 1.00 1.04 N ATOM 384 CA PRO A 34 9.722 13.766 -10.109 1.00 1.23 C ATOM 385 C PRO A 34 10.873 12.814 -10.430 1.00 1.50 C ATOM 386 O PRO A 34 11.345 12.759 -11.565 1.00 1.84 O ATOM 387 CB PRO A 34 10.160 14.814 -9.071 1.00 1.29 C ATOM 388 CG PRO A 34 9.202 14.699 -7.922 1.00 1.15 C ATOM 389 CD PRO A 34 8.007 13.939 -8.424 1.00 0.96 C ATOM 0 HA PRO A 34 9.441 14.193 -11.072 1.00 1.23 H new ATOM 0 HB2 PRO A 34 11.183 14.632 -8.743 1.00 1.29 H new ATOM 0 HB3 PRO A 34 10.136 15.817 -9.498 1.00 1.29 H new ATOM 0 HG2 PRO A 34 9.666 14.179 -7.083 1.00 1.15 H new ATOM 0 HG3 PRO A 34 8.909 15.686 -7.563 1.00 1.15 H new ATOM 0 HD2 PRO A 34 7.543 13.345 -7.636 1.00 0.96 H new ATOM 0 HD3 PRO A 34 7.238 14.605 -8.816 1.00 0.96 H new ATOM 397 N GLU A 35 11.321 12.068 -9.426 1.00 1.43 N ATOM 398 CA GLU A 35 12.419 11.123 -9.610 1.00 1.69 C ATOM 399 C GLU A 35 11.959 9.690 -9.354 1.00 1.95 C ATOM 400 O GLU A 35 12.659 8.909 -8.707 1.00 2.55 O ATOM 401 CB GLU A 35 13.586 11.475 -8.684 1.00 1.58 C ATOM 402 CG GLU A 35 14.948 11.352 -9.347 1.00 2.20 C ATOM 403 CD GLU A 35 16.076 11.233 -8.341 1.00 2.95 C ATOM 404 OE1 GLU A 35 16.355 12.229 -7.642 1.00 3.47 O ATOM 405 OE2 GLU A 35 16.683 10.144 -8.255 1.00 3.53 O ATOM 0 H GLU A 35 10.943 12.098 -8.479 1.00 1.43 H new ATOM 0 HA GLU A 35 12.754 11.194 -10.645 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.458 12.496 -8.324 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.556 10.823 -7.811 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.953 10.478 -9.999 1.00 2.20 H new ATOM 0 HG3 GLU A 35 15.120 12.223 -9.980 1.00 2.20 H new ATOM 412 N GLY A 36 10.779 9.350 -9.865 1.00 1.77 N ATOM 413 CA GLY A 36 10.250 8.011 -9.680 1.00 2.19 C ATOM 414 C GLY A 36 10.713 7.048 -10.757 1.00 1.74 C ATOM 415 O GLY A 36 11.327 7.457 -11.742 1.00 1.77 O ATOM 0 H GLY A 36 10.181 9.977 -10.403 1.00 1.77 H new ATOM 0 HA2 GLY A 36 10.557 7.634 -8.704 1.00 2.19 H new ATOM 0 HA3 GLY A 36 9.161 8.052 -9.678 1.00 2.19 H new ATOM 419 N ASN A 37 10.419 5.765 -10.568 1.00 2.06 N ATOM 420 CA ASN A 37 10.810 4.741 -11.530 1.00 2.08 C ATOM 421 C ASN A 37 9.619 3.864 -11.907 1.00 1.73 C ATOM 422 O ASN A 37 8.505 4.074 -11.428 1.00 1.94 O ATOM 423 CB ASN A 37 11.933 3.875 -10.957 1.00 3.12 C ATOM 424 CG ASN A 37 13.251 4.619 -10.872 1.00 3.90 C ATOM 425 OD1 ASN A 37 13.606 5.160 -9.825 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.985 4.652 -11.979 1.00 4.34 N ATOM 0 H ASN A 37 9.911 5.410 -9.758 1.00 2.06 H new ATOM 0 HA ASN A 37 11.169 5.242 -12.429 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.650 3.529 -9.963 1.00 3.12 H new ATOM 0 HB3 ASN A 37 12.059 2.989 -11.580 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.881 5.139 -11.982 1.00 4.34 H new ATOM 0 HD22 ASN A 37 13.653 4.190 -12.825 1.00 4.34 H new ATOM 431 N GLU A 38 9.862 2.880 -12.768 1.00 1.77 N ATOM 432 CA GLU A 38 8.810 1.972 -13.210 1.00 1.76 C ATOM 433 C GLU A 38 8.357 1.066 -12.069 1.00 1.90 C ATOM 434 O GLU A 38 9.114 0.213 -11.605 1.00 2.28 O ATOM 435 CB GLU A 38 9.301 1.124 -14.384 1.00 2.18 C ATOM 436 CG GLU A 38 8.187 0.398 -15.118 1.00 2.12 C ATOM 437 CD GLU A 38 7.629 -0.768 -14.326 1.00 2.42 C ATOM 438 OE1 GLU A 38 6.690 -0.552 -13.532 1.00 2.81 O ATOM 439 OE2 GLU A 38 8.131 -1.899 -14.500 1.00 2.88 O ATOM 0 H GLU A 38 10.779 2.692 -13.173 1.00 1.77 H new ATOM 0 HA GLU A 38 7.959 2.572 -13.533 1.00 1.76 H new ATOM 0 HB2 GLU A 38 9.831 1.766 -15.088 1.00 2.18 H new ATOM 0 HB3 GLU A 38 10.020 0.392 -14.017 1.00 2.18 H new ATOM 0 HG2 GLU A 38 7.383 1.101 -15.337 1.00 2.12 H new ATOM 0 HG3 GLU A 38 8.563 0.036 -16.075 1.00 2.12 H new ATOM 446 N VAL A 39 7.117 1.255 -11.620 1.00 1.79 N ATOM 447 CA VAL A 39 6.571 0.448 -10.531 1.00 2.04 C ATOM 448 C VAL A 39 5.053 0.570 -10.452 1.00 1.58 C ATOM 449 O VAL A 39 4.460 1.487 -11.021 1.00 1.86 O ATOM 450 CB VAL A 39 7.172 0.851 -9.168 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.524 0.187 -8.960 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.290 2.365 -9.058 1.00 3.20 C ATOM 0 H VAL A 39 6.475 1.956 -11.991 1.00 1.79 H new ATOM 0 HA VAL A 39 6.840 -0.585 -10.751 1.00 2.04 H new ATOM 0 HB VAL A 39 6.500 0.506 -8.383 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.930 0.484 -7.993 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.405 -0.896 -8.986 1.00 3.56 H new ATOM 0 HG13 VAL A 39 9.207 0.496 -9.751 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.716 2.627 -8.090 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.937 2.738 -9.852 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.302 2.815 -9.154 1.00 3.20 H new ATOM 456 N GLU A 40 4.431 -0.362 -9.733 1.00 1.19 N ATOM 457 CA GLU A 40 2.982 -0.368 -9.565 1.00 0.87 C ATOM 458 C GLU A 40 2.615 -0.676 -8.115 1.00 0.72 C ATOM 459 O GLU A 40 2.888 -1.767 -7.614 1.00 0.71 O ATOM 460 CB GLU A 40 2.342 -1.399 -10.496 1.00 0.85 C ATOM 461 CG GLU A 40 0.826 -1.460 -10.388 1.00 0.98 C ATOM 462 CD GLU A 40 0.298 -2.881 -10.379 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.606 -3.624 -9.423 1.00 2.10 O ATOM 464 OE2 GLU A 40 -0.425 -3.251 -11.329 1.00 2.29 O ATOM 0 H GLU A 40 4.911 -1.125 -9.256 1.00 1.19 H new ATOM 0 HA GLU A 40 2.602 0.621 -9.821 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.615 -1.166 -11.525 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.754 -2.383 -10.272 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.510 -0.953 -9.476 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.384 -0.918 -11.224 1.00 0.98 H new ATOM 471 N MET A 41 2.003 0.297 -7.444 1.00 0.77 N ATOM 472 CA MET A 41 1.611 0.129 -6.048 1.00 0.73 C ATOM 473 C MET A 41 0.104 0.279 -5.866 1.00 0.68 C ATOM 474 O MET A 41 -0.411 1.393 -5.770 1.00 0.72 O ATOM 475 CB MET A 41 2.341 1.150 -5.173 1.00 0.88 C ATOM 476 CG MET A 41 2.705 0.623 -3.795 1.00 1.06 C ATOM 477 SD MET A 41 2.716 1.916 -2.537 1.00 1.42 S ATOM 478 CE MET A 41 4.475 2.093 -2.250 1.00 1.11 C ATOM 0 H MET A 41 1.769 1.206 -7.843 1.00 0.77 H new ATOM 0 HA MET A 41 1.889 -0.880 -5.744 1.00 0.73 H new ATOM 0 HB2 MET A 41 3.250 1.468 -5.683 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.713 2.034 -5.060 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.995 -0.152 -3.507 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.688 0.154 -3.838 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.707 1.806 -1.224 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.023 1.450 -2.939 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.767 3.131 -2.411 1.00 1.11 H new ATOM 488 N THR A 42 -0.599 -0.848 -5.803 1.00 0.81 N ATOM 489 CA THR A 42 -2.044 -0.833 -5.615 1.00 0.79 C ATOM 490 C THR A 42 -2.391 -1.147 -4.162 1.00 0.77 C ATOM 491 O THR A 42 -1.984 -2.179 -3.630 1.00 1.11 O ATOM 492 CB THR A 42 -2.720 -1.840 -6.550 1.00 0.95 C ATOM 493 OG1 THR A 42 -1.765 -2.711 -7.129 1.00 0.97 O ATOM 494 CG2 THR A 42 -3.486 -1.186 -7.680 1.00 1.61 C ATOM 0 H THR A 42 -0.192 -1.780 -5.879 1.00 0.81 H new ATOM 0 HA THR A 42 -2.412 0.164 -5.857 1.00 0.79 H new ATOM 0 HB THR A 42 -3.423 -2.387 -5.922 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.219 -3.347 -7.721 1.00 0.97 H new ATOM 0 HG21 THR A 42 -3.940 -1.955 -8.305 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.266 -0.546 -7.268 1.00 1.61 H new ATOM 0 HG23 THR A 42 -2.804 -0.586 -8.282 1.00 1.61 H new ATOM 499 N VAL A 43 -3.130 -0.248 -3.520 1.00 0.65 N ATOM 500 CA VAL A 43 -3.509 -0.441 -2.125 1.00 0.64 C ATOM 501 C VAL A 43 -4.992 -0.159 -1.894 1.00 0.58 C ATOM 502 O VAL A 43 -5.536 0.846 -2.363 1.00 0.71 O ATOM 503 CB VAL A 43 -2.670 0.452 -1.190 1.00 0.75 C ATOM 504 CG1 VAL A 43 -2.908 1.924 -1.491 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.975 0.138 0.270 1.00 1.51 C ATOM 0 H VAL A 43 -3.476 0.615 -3.939 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.314 -1.488 -1.893 1.00 0.64 H new ATOM 0 HB VAL A 43 -1.616 0.239 -1.369 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -2.305 2.535 -0.819 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -2.627 2.134 -2.523 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.963 2.159 -1.347 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.373 0.779 0.914 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -4.032 0.316 0.467 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -2.739 -0.906 0.475 1.00 1.51 H new ATOM 509 N ARG A 44 -5.634 -1.058 -1.155 1.00 0.55 N ATOM 510 CA ARG A 44 -7.049 -0.929 -0.837 1.00 0.54 C ATOM 511 C ARG A 44 -7.262 -0.990 0.672 1.00 0.57 C ATOM 512 O ARG A 44 -6.687 -1.838 1.355 1.00 0.69 O ATOM 513 CB ARG A 44 -7.849 -2.036 -1.524 1.00 0.61 C ATOM 514 CG ARG A 44 -9.343 -1.966 -1.255 1.00 1.19 C ATOM 515 CD ARG A 44 -10.051 -3.235 -1.699 1.00 1.98 C ATOM 516 NE ARG A 44 -10.761 -3.052 -2.963 1.00 2.48 N ATOM 517 CZ ARG A 44 -11.155 -4.056 -3.744 1.00 3.13 C ATOM 518 NH1 ARG A 44 -10.911 -5.313 -3.395 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.797 -3.801 -4.877 1.00 3.77 N ATOM 0 H ARG A 44 -5.191 -1.889 -0.763 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.399 0.037 -1.201 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.679 -1.981 -2.599 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.474 -3.004 -1.191 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.515 -1.806 -0.190 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.768 -1.109 -1.778 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.322 -4.038 -1.806 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.757 -3.545 -0.928 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.967 -2.100 -3.265 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -10.419 -5.514 -2.524 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -11.215 -6.078 -3.997 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -11.988 -2.837 -5.149 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.099 -4.569 -5.476 1.00 3.77 H new ATOM 533 N ILE A 45 -8.089 -0.088 1.189 1.00 0.55 N ATOM 534 CA ILE A 45 -8.369 -0.047 2.622 1.00 0.61 C ATOM 535 C ILE A 45 -9.844 -0.314 2.900 1.00 0.59 C ATOM 536 O ILE A 45 -10.709 0.492 2.560 1.00 0.60 O ATOM 537 CB ILE A 45 -7.966 1.308 3.254 1.00 0.71 C ATOM 538 CG1 ILE A 45 -7.768 2.377 2.174 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.701 1.143 4.084 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.196 3.678 2.699 1.00 0.63 C ATOM 0 H ILE A 45 -8.576 0.622 0.642 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.766 -0.832 3.078 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.773 1.638 3.908 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.104 1.984 1.404 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.726 2.579 1.696 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.427 2.102 4.524 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -6.879 0.417 4.878 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -5.890 0.791 3.446 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.085 4.385 1.877 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -7.869 4.096 3.448 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.222 3.491 3.151 1.00 0.63 H new ATOM 544 N VAL A 46 -10.118 -1.458 3.518 1.00 0.63 N ATOM 545 CA VAL A 46 -11.483 -1.847 3.846 1.00 0.63 C ATOM 546 C VAL A 46 -11.523 -2.632 5.153 1.00 0.64 C ATOM 547 O VAL A 46 -10.510 -3.179 5.590 1.00 0.68 O ATOM 548 CB VAL A 46 -12.102 -2.703 2.721 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.237 -3.922 2.441 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.524 -3.117 3.075 1.00 1.52 C ATOM 0 H VAL A 46 -9.409 -2.134 3.802 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.064 -0.932 3.957 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.144 -2.098 1.815 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.689 -4.514 1.645 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.242 -3.599 2.133 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.159 -4.528 3.344 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.939 -3.719 2.267 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.514 -3.701 3.995 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.137 -2.227 3.216 1.00 1.52 H new ATOM 554 N ASP A 47 -12.699 -2.688 5.773 1.00 0.66 N ATOM 555 CA ASP A 47 -12.866 -3.411 7.030 1.00 0.71 C ATOM 556 C ASP A 47 -12.291 -4.821 6.927 1.00 0.74 C ATOM 557 O ASP A 47 -11.868 -5.251 5.854 1.00 0.81 O ATOM 558 CB ASP A 47 -14.346 -3.476 7.413 1.00 0.75 C ATOM 559 CG ASP A 47 -15.212 -4.013 6.290 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.230 -3.392 5.206 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.871 -5.053 6.495 1.00 2.11 O ATOM 0 H ASP A 47 -13.548 -2.242 5.426 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.322 -2.872 7.806 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.463 -4.109 8.293 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.691 -2.480 7.689 1.00 0.75 H new ATOM 566 N GLU A 48 -12.272 -5.533 8.046 1.00 0.76 N ATOM 567 CA GLU A 48 -11.739 -6.889 8.074 1.00 0.82 C ATOM 568 C GLU A 48 -12.707 -7.879 7.430 1.00 0.79 C ATOM 569 O GLU A 48 -12.309 -8.696 6.601 1.00 0.83 O ATOM 570 CB GLU A 48 -11.435 -7.311 9.514 1.00 0.92 C ATOM 571 CG GLU A 48 -12.668 -7.406 10.396 1.00 1.39 C ATOM 572 CD GLU A 48 -12.338 -7.302 11.872 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.557 -8.144 12.367 1.00 2.30 O ATOM 574 OE2 GLU A 48 -12.858 -6.379 12.533 1.00 1.81 O ATOM 0 H GLU A 48 -12.618 -5.196 8.944 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.814 -6.897 7.497 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -10.933 -8.278 9.501 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.739 -6.596 9.953 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -13.365 -6.613 10.126 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -13.174 -8.353 10.206 1.00 1.39 H new ATOM 581 N ALA A 49 -13.977 -7.805 7.814 1.00 0.86 N ATOM 582 CA ALA A 49 -14.993 -8.702 7.273 1.00 0.89 C ATOM 583 C ALA A 49 -15.025 -8.666 5.749 1.00 0.83 C ATOM 584 O ALA A 49 -14.856 -9.692 5.089 1.00 0.80 O ATOM 585 CB ALA A 49 -16.360 -8.348 7.839 1.00 0.99 C ATOM 0 H ALA A 49 -14.328 -7.134 8.497 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.733 -9.717 7.572 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -17.110 -9.024 7.428 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.340 -8.444 8.925 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.610 -7.322 7.570 1.00 0.99 H new ATOM 591 N GLU A 50 -15.246 -7.478 5.200 1.00 0.87 N ATOM 592 CA GLU A 50 -15.308 -7.298 3.751 1.00 0.88 C ATOM 593 C GLU A 50 -14.051 -7.832 3.070 1.00 0.84 C ATOM 594 O GLU A 50 -14.127 -8.677 2.178 1.00 0.85 O ATOM 595 CB GLU A 50 -15.498 -5.820 3.408 1.00 0.98 C ATOM 596 CG GLU A 50 -16.428 -5.583 2.229 1.00 1.52 C ATOM 597 CD GLU A 50 -17.500 -4.553 2.528 1.00 1.54 C ATOM 598 OE1 GLU A 50 -18.047 -4.573 3.650 1.00 1.85 O ATOM 599 OE2 GLU A 50 -17.794 -3.727 1.638 1.00 2.17 O ATOM 0 H GLU A 50 -15.386 -6.622 5.736 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.162 -7.866 3.382 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.893 -5.301 4.281 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.526 -5.379 3.187 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.843 -5.254 1.370 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.902 -6.524 1.950 1.00 1.52 H new ATOM 606 N SER A 51 -12.895 -7.333 3.494 1.00 0.87 N ATOM 607 CA SER A 51 -11.623 -7.761 2.921 1.00 0.92 C ATOM 608 C SER A 51 -11.477 -9.278 2.990 1.00 0.84 C ATOM 609 O SER A 51 -11.233 -9.937 1.977 1.00 0.83 O ATOM 610 CB SER A 51 -10.461 -7.094 3.657 1.00 1.04 C ATOM 611 OG SER A 51 -10.400 -7.520 5.007 1.00 1.90 O ATOM 0 H SER A 51 -12.812 -6.633 4.231 1.00 0.87 H new ATOM 0 HA SER A 51 -11.605 -7.459 1.874 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.524 -7.332 3.155 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.576 -6.011 3.619 1.00 1.04 H new ATOM 0 HG SER A 51 -10.982 -6.954 5.555 1.00 1.90 H new ATOM 617 N HIS A 52 -11.628 -9.826 4.190 1.00 0.86 N ATOM 618 CA HIS A 52 -11.513 -11.263 4.395 1.00 0.86 C ATOM 619 C HIS A 52 -12.482 -12.023 3.500 1.00 0.83 C ATOM 620 O HIS A 52 -12.067 -12.827 2.667 1.00 0.90 O ATOM 621 CB HIS A 52 -11.757 -11.607 5.863 1.00 0.94 C ATOM 622 CG HIS A 52 -10.813 -10.903 6.782 1.00 0.99 C ATOM 623 ND1 HIS A 52 -9.621 -10.364 6.353 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.893 -10.633 8.105 1.00 1.61 C ATOM 625 CE1 HIS A 52 -9.007 -9.794 7.371 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.756 -9.941 8.447 1.00 1.39 N ATOM 0 H HIS A 52 -11.831 -9.295 5.037 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.501 -11.566 4.126 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.781 -11.344 6.129 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.658 -12.684 6.001 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -9.268 -10.400 5.397 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -11.699 -10.909 8.768 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -8.052 -9.291 7.331 1.00 1.28 H new ATOM 635 N GLU A 53 -13.775 -11.763 3.664 1.00 0.86 N ATOM 636 CA GLU A 53 -14.782 -12.431 2.851 1.00 0.95 C ATOM 637 C GLU A 53 -14.477 -12.246 1.365 1.00 0.94 C ATOM 638 O GLU A 53 -14.794 -13.106 0.545 1.00 0.95 O ATOM 639 CB GLU A 53 -16.185 -11.906 3.183 1.00 1.10 C ATOM 640 CG GLU A 53 -16.453 -10.488 2.702 1.00 1.68 C ATOM 641 CD GLU A 53 -17.805 -10.346 2.030 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.012 -10.977 0.972 1.00 2.71 O ATOM 643 OE2 GLU A 53 -18.657 -9.603 2.562 1.00 3.10 O ATOM 0 H GLU A 53 -14.147 -11.101 4.346 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.755 -13.496 3.080 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -16.924 -12.573 2.740 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.328 -11.944 4.263 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.399 -9.805 3.549 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -15.671 -10.191 2.003 1.00 1.68 H new ATOM 650 N LEU A 54 -13.847 -11.121 1.031 1.00 0.95 N ATOM 651 CA LEU A 54 -13.493 -10.826 -0.352 1.00 1.00 C ATOM 652 C LEU A 54 -12.368 -11.733 -0.833 1.00 0.89 C ATOM 653 O LEU A 54 -12.486 -12.386 -1.869 1.00 0.93 O ATOM 654 CB LEU A 54 -13.070 -9.366 -0.502 1.00 1.06 C ATOM 655 CG LEU A 54 -12.638 -8.969 -1.914 1.00 1.15 C ATOM 656 CD1 LEU A 54 -13.804 -9.076 -2.884 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.070 -7.563 -1.918 1.00 1.24 C ATOM 0 H LEU A 54 -13.573 -10.401 1.700 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.377 -11.007 -0.964 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.900 -8.728 -0.198 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.247 -9.168 0.185 1.00 1.06 H new ATOM 0 HG LEU A 54 -11.859 -9.658 -2.240 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.474 -8.789 -3.882 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -14.168 -10.103 -2.903 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -14.607 -8.413 -2.562 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -11.767 -7.296 -2.930 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -12.829 -6.863 -1.570 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -11.205 -7.518 -1.257 1.00 1.24 H new ATOM 663 N ASN A 55 -11.272 -11.778 -0.080 1.00 0.78 N ATOM 664 CA ASN A 55 -10.140 -12.620 -0.453 1.00 0.71 C ATOM 665 C ASN A 55 -10.619 -14.042 -0.695 1.00 0.69 C ATOM 666 O ASN A 55 -10.418 -14.611 -1.769 1.00 0.74 O ATOM 667 CB ASN A 55 -9.060 -12.633 0.635 1.00 0.68 C ATOM 668 CG ASN A 55 -8.951 -11.329 1.404 1.00 1.33 C ATOM 669 OD1 ASN A 55 -9.063 -10.245 0.832 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.729 -11.433 2.711 1.00 1.42 N ATOM 0 H ASN A 55 -11.144 -11.248 0.782 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.704 -12.206 -1.362 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.273 -13.441 1.335 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.097 -12.855 0.175 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.645 -10.592 3.282 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.643 -12.353 3.142 1.00 1.42 H new ATOM 675 N LEU A 56 -11.260 -14.606 0.320 1.00 0.71 N ATOM 676 CA LEU A 56 -11.780 -15.958 0.234 1.00 0.79 C ATOM 677 C LEU A 56 -12.882 -16.060 -0.811 1.00 0.87 C ATOM 678 O LEU A 56 -13.123 -17.130 -1.369 1.00 0.97 O ATOM 679 CB LEU A 56 -12.303 -16.419 1.595 1.00 0.84 C ATOM 680 CG LEU A 56 -11.223 -16.715 2.635 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.538 -15.430 3.068 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.822 -17.433 3.835 1.00 0.92 C ATOM 0 H LEU A 56 -11.431 -14.144 1.213 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.961 -16.610 -0.070 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.967 -15.651 1.991 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.904 -17.317 1.451 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.476 -17.368 2.183 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.772 -15.658 3.809 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -10.076 -14.954 2.203 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -11.274 -14.754 3.504 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -11.039 -17.636 4.566 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.588 -16.805 4.289 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.268 -18.373 3.511 1.00 0.92 H new ATOM 688 N THR A 57 -13.552 -14.943 -1.075 1.00 0.93 N ATOM 689 CA THR A 57 -14.624 -14.922 -2.058 1.00 1.09 C ATOM 690 C THR A 57 -14.104 -15.320 -3.437 1.00 1.14 C ATOM 691 O THR A 57 -14.827 -15.923 -4.229 1.00 1.27 O ATOM 692 CB THR A 57 -15.285 -13.532 -2.109 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.388 -13.473 -1.223 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.794 -13.139 -3.483 1.00 1.45 C ATOM 0 H THR A 57 -13.372 -14.046 -0.624 1.00 0.93 H new ATOM 0 HA THR A 57 -15.377 -15.650 -1.755 1.00 1.09 H new ATOM 0 HB THR A 57 -14.494 -12.838 -1.824 1.00 1.23 H new ATOM 0 HG1 THR A 57 -16.109 -13.058 -0.380 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.245 -12.148 -3.434 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.963 -13.125 -4.189 1.00 1.45 H new ATOM 0 HG23 THR A 57 -16.540 -13.861 -3.815 1.00 1.45 H new ATOM 699 N TYR A 58 -12.856 -14.962 -3.732 1.00 1.08 N ATOM 700 CA TYR A 58 -12.277 -15.272 -5.034 1.00 1.17 C ATOM 701 C TYR A 58 -11.097 -16.251 -4.968 1.00 1.08 C ATOM 702 O TYR A 58 -10.695 -16.786 -6.001 1.00 1.19 O ATOM 703 CB TYR A 58 -11.852 -13.981 -5.744 1.00 1.25 C ATOM 704 CG TYR A 58 -10.541 -13.401 -5.260 1.00 1.20 C ATOM 705 CD1 TYR A 58 -9.334 -13.798 -5.823 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.510 -12.452 -4.245 1.00 1.25 C ATOM 707 CE1 TYR A 58 -8.134 -13.266 -5.389 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.315 -11.917 -3.805 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.130 -12.327 -4.379 1.00 2.11 C ATOM 710 OH TYR A 58 -6.939 -11.795 -3.944 1.00 2.74 O ATOM 0 H TYR A 58 -12.234 -14.463 -3.095 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.059 -15.774 -5.604 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -11.775 -14.178 -6.813 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -12.635 -13.235 -5.613 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -9.333 -14.535 -6.613 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.436 -12.128 -3.793 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -7.205 -13.584 -5.838 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -9.309 -11.181 -3.015 1.00 1.55 H new ATOM 0 HH TYR A 58 -7.114 -10.982 -3.426 1.00 2.74 H new ATOM 720 N ARG A 59 -10.518 -16.483 -3.784 1.00 0.99 N ATOM 721 CA ARG A 59 -9.373 -17.399 -3.709 1.00 0.99 C ATOM 722 C ARG A 59 -9.179 -18.051 -2.336 1.00 0.90 C ATOM 723 O ARG A 59 -8.085 -18.530 -2.037 1.00 0.97 O ATOM 724 CB ARG A 59 -8.095 -16.655 -4.101 1.00 1.05 C ATOM 725 CG ARG A 59 -7.613 -15.671 -3.044 1.00 1.58 C ATOM 726 CD ARG A 59 -6.291 -16.106 -2.432 1.00 1.65 C ATOM 727 NE ARG A 59 -5.169 -15.894 -3.345 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.606 -16.856 -4.076 1.00 2.71 C ATOM 729 NH1 ARG A 59 -5.053 -18.105 -4.015 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.589 -16.565 -4.876 1.00 3.32 N ATOM 0 H ARG A 59 -10.808 -16.069 -2.898 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.589 -18.209 -4.406 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.306 -17.382 -4.295 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.269 -16.117 -5.033 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.500 -14.683 -3.491 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -8.365 -15.582 -2.260 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.118 -15.551 -1.510 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.346 -17.161 -2.163 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.793 -14.949 -3.428 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.836 -18.337 -3.404 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.614 -18.832 -4.579 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.240 -15.608 -4.930 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -3.155 -17.298 -5.437 1.00 3.32 H new ATOM 744 N GLY A 60 -10.219 -18.086 -1.509 1.00 0.81 N ATOM 745 CA GLY A 60 -10.091 -18.703 -0.190 1.00 0.80 C ATOM 746 C GLY A 60 -8.791 -18.327 0.512 1.00 0.78 C ATOM 747 O GLY A 60 -8.050 -19.197 0.970 1.00 0.88 O ATOM 0 H GLY A 60 -11.141 -17.704 -1.720 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.935 -18.402 0.431 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -10.143 -19.787 -0.294 1.00 0.80 H new ATOM 751 N LYS A 61 -8.508 -17.027 0.574 1.00 0.76 N ATOM 752 CA LYS A 61 -7.284 -16.529 1.197 1.00 0.90 C ATOM 753 C LYS A 61 -7.204 -16.880 2.685 1.00 0.95 C ATOM 754 O LYS A 61 -7.941 -17.734 3.178 1.00 1.42 O ATOM 755 CB LYS A 61 -7.177 -15.014 1.004 1.00 1.17 C ATOM 756 CG LYS A 61 -5.760 -14.534 0.725 1.00 1.31 C ATOM 757 CD LYS A 61 -5.736 -13.416 -0.303 1.00 1.00 C ATOM 758 CE LYS A 61 -4.380 -13.319 -0.987 1.00 1.42 C ATOM 759 NZ LYS A 61 -3.256 -13.493 -0.026 1.00 2.13 N ATOM 0 H LYS A 61 -9.113 -16.297 0.198 1.00 0.76 H new ATOM 0 HA LYS A 61 -6.445 -17.021 0.705 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.822 -14.715 0.178 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -7.551 -14.515 1.898 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -5.305 -14.185 1.652 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -5.157 -15.369 0.368 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -6.510 -13.590 -1.050 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.969 -12.468 0.183 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.312 -14.079 -1.766 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -4.290 -12.350 -1.478 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.352 -13.353 -0.520 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.344 -12.796 0.741 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -3.287 -14.453 0.374 1.00 2.13 H new ATOM 773 N ASP A 62 -6.276 -16.222 3.379 1.00 1.17 N ATOM 774 CA ASP A 62 -6.040 -16.447 4.803 1.00 1.25 C ATOM 775 C ASP A 62 -7.299 -16.219 5.651 1.00 1.66 C ATOM 776 O ASP A 62 -8.417 -16.440 5.192 1.00 2.50 O ATOM 777 CB ASP A 62 -4.900 -15.539 5.279 1.00 1.84 C ATOM 778 CG ASP A 62 -3.984 -16.231 6.270 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.416 -17.287 5.917 1.00 2.95 O ATOM 780 OD2 ASP A 62 -3.836 -15.718 7.399 1.00 3.06 O ATOM 0 H ASP A 62 -5.665 -15.516 2.967 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.762 -17.493 4.934 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.317 -15.211 4.418 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -5.320 -14.645 5.740 1.00 1.84 H new ATOM 785 N ARG A 63 -7.100 -15.792 6.901 1.00 1.71 N ATOM 786 CA ARG A 63 -8.199 -15.549 7.829 1.00 2.49 C ATOM 787 C ARG A 63 -8.026 -14.179 8.495 1.00 2.22 C ATOM 788 O ARG A 63 -7.133 -13.422 8.111 1.00 1.77 O ATOM 789 CB ARG A 63 -8.227 -16.670 8.873 1.00 3.33 C ATOM 790 CG ARG A 63 -9.498 -17.505 8.841 1.00 4.23 C ATOM 791 CD ARG A 63 -9.265 -18.899 9.400 1.00 4.88 C ATOM 792 NE ARG A 63 -9.235 -19.913 8.348 1.00 5.84 N ATOM 793 CZ ARG A 63 -10.323 -20.393 7.750 1.00 6.66 C ATOM 794 NH1 ARG A 63 -11.528 -19.952 8.095 1.00 6.76 N ATOM 795 NH2 ARG A 63 -10.208 -21.314 6.804 1.00 7.66 N ATOM 0 H ARG A 63 -6.177 -15.607 7.293 1.00 1.71 H new ATOM 0 HA ARG A 63 -9.148 -15.544 7.292 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.369 -17.324 8.714 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -8.115 -16.233 9.865 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -10.276 -17.006 9.418 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -9.860 -17.579 7.815 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -8.323 -18.917 9.948 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -10.053 -19.140 10.113 1.00 4.88 H new ATOM 0 HE ARG A 63 -8.327 -20.274 8.055 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -11.623 -19.242 8.821 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -12.358 -20.323 7.633 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -9.286 -21.655 6.534 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -11.042 -21.682 6.346 1.00 7.66 H new ATOM 809 N PRO A 64 -8.866 -13.824 9.496 1.00 3.04 N ATOM 810 CA PRO A 64 -8.769 -12.530 10.182 1.00 3.30 C ATOM 811 C PRO A 64 -7.326 -12.079 10.387 1.00 2.79 C ATOM 812 O PRO A 64 -6.648 -12.514 11.317 1.00 3.00 O ATOM 813 CB PRO A 64 -9.457 -12.813 11.509 1.00 4.45 C ATOM 814 CG PRO A 64 -10.542 -13.765 11.144 1.00 4.81 C ATOM 815 CD PRO A 64 -9.979 -14.634 10.043 1.00 4.12 C ATOM 0 HA PRO A 64 -9.220 -11.716 9.614 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.768 -13.248 12.233 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.856 -11.902 11.956 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.839 -14.367 12.003 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.431 -13.233 10.805 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.627 -15.591 10.428 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.728 -14.852 9.282 1.00 4.12 H new ATOM 823 N THR A 65 -6.868 -11.211 9.492 1.00 2.27 N ATOM 824 CA THR A 65 -5.506 -10.695 9.537 1.00 2.01 C ATOM 825 C THR A 65 -5.489 -9.204 9.876 1.00 1.59 C ATOM 826 O THR A 65 -6.487 -8.649 10.337 1.00 1.81 O ATOM 827 CB THR A 65 -4.823 -10.936 8.186 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.422 -10.760 8.291 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.321 -10.019 7.088 1.00 2.82 C ATOM 0 H THR A 65 -7.427 -10.847 8.720 1.00 2.27 H new ATOM 0 HA THR A 65 -4.963 -11.222 10.322 1.00 2.01 H new ATOM 0 HB THR A 65 -5.072 -11.963 7.919 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.143 -10.900 9.220 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.796 -10.244 6.160 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.391 -10.170 6.945 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.135 -8.982 7.368 1.00 2.82 H new ATOM 834 N ASN A 66 -4.347 -8.564 9.634 1.00 1.36 N ATOM 835 CA ASN A 66 -4.191 -7.138 9.903 1.00 1.09 C ATOM 836 C ASN A 66 -3.779 -6.391 8.637 1.00 0.83 C ATOM 837 O ASN A 66 -4.236 -5.275 8.387 1.00 1.09 O ATOM 838 CB ASN A 66 -3.152 -6.915 11.002 1.00 1.37 C ATOM 839 CG ASN A 66 -3.219 -5.517 11.586 1.00 1.54 C ATOM 840 OD1 ASN A 66 -3.994 -5.253 12.504 1.00 2.36 O ATOM 841 ND2 ASN A 66 -2.405 -4.613 11.053 1.00 1.35 N ATOM 0 H ASN A 66 -3.515 -9.013 9.251 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.152 -6.748 10.239 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.305 -7.645 11.796 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -2.155 -7.089 10.597 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -2.406 -3.655 11.404 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.778 -4.876 10.293 1.00 1.35 H new ATOM 846 N VAL A 67 -2.913 -7.011 7.841 1.00 0.71 N ATOM 847 CA VAL A 67 -2.442 -6.401 6.604 1.00 0.79 C ATOM 848 C VAL A 67 -2.283 -7.440 5.499 1.00 0.79 C ATOM 849 O VAL A 67 -1.199 -7.988 5.300 1.00 0.81 O ATOM 850 CB VAL A 67 -1.100 -5.675 6.807 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.313 -4.339 7.504 1.00 1.59 C ATOM 852 CG2 VAL A 67 -0.132 -6.548 7.595 1.00 1.51 C ATOM 0 H VAL A 67 -2.524 -7.935 8.031 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.198 -5.674 6.308 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.663 -5.481 5.827 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.353 -3.841 7.638 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.965 -3.711 6.896 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.774 -4.506 8.477 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.811 -6.017 7.728 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.560 -6.777 8.571 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.047 -7.475 7.051 1.00 1.51 H new ATOM 856 N LEU A 68 -3.370 -7.701 4.782 1.00 0.86 N ATOM 857 CA LEU A 68 -3.357 -8.668 3.692 1.00 0.89 C ATOM 858 C LEU A 68 -3.310 -7.952 2.344 1.00 0.81 C ATOM 859 O LEU A 68 -3.964 -6.926 2.156 1.00 0.75 O ATOM 860 CB LEU A 68 -4.595 -9.565 3.773 1.00 0.99 C ATOM 861 CG LEU A 68 -4.722 -10.607 2.657 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.400 -12.002 3.182 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.119 -10.579 2.054 1.00 1.10 C ATOM 0 H LEU A 68 -4.274 -7.255 4.937 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.465 -9.288 3.785 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.586 -10.083 4.732 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.483 -8.933 3.760 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.003 -10.358 1.877 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.496 -12.726 2.373 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.380 -12.020 3.566 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.093 -12.258 3.983 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.189 -11.326 1.263 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.854 -10.800 2.828 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.316 -9.591 1.638 1.00 1.10 H new ATOM 869 N SER A 69 -2.526 -8.489 1.413 1.00 0.96 N ATOM 870 CA SER A 69 -2.393 -7.885 0.091 1.00 0.97 C ATOM 871 C SER A 69 -2.704 -8.889 -1.015 1.00 0.86 C ATOM 872 O SER A 69 -2.849 -10.086 -0.762 1.00 0.89 O ATOM 873 CB SER A 69 -0.977 -7.333 -0.095 1.00 1.18 C ATOM 874 OG SER A 69 -0.397 -6.984 1.151 1.00 1.85 O ATOM 0 H SER A 69 -1.976 -9.337 1.549 1.00 0.96 H new ATOM 0 HA SER A 69 -3.114 -7.071 0.023 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.356 -8.077 -0.593 1.00 1.18 H new ATOM 0 HB3 SER A 69 -1.007 -6.457 -0.744 1.00 1.18 H new ATOM 0 HG SER A 69 -1.039 -6.461 1.676 1.00 1.85 H new ATOM 880 N PHE A 70 -2.802 -8.391 -2.245 1.00 0.81 N ATOM 881 CA PHE A 70 -3.092 -9.236 -3.399 1.00 0.82 C ATOM 882 C PHE A 70 -1.939 -9.194 -4.403 1.00 0.91 C ATOM 883 O PHE A 70 -1.765 -8.202 -5.114 1.00 1.03 O ATOM 884 CB PHE A 70 -4.384 -8.783 -4.087 1.00 0.89 C ATOM 885 CG PHE A 70 -5.635 -8.995 -3.273 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.692 -9.969 -2.287 1.00 1.16 C ATOM 887 CD2 PHE A 70 -6.760 -8.219 -3.506 1.00 1.81 C ATOM 888 CE1 PHE A 70 -6.846 -10.162 -1.550 1.00 1.33 C ATOM 889 CE2 PHE A 70 -7.915 -8.408 -2.772 1.00 2.03 C ATOM 890 CZ PHE A 70 -7.958 -9.380 -1.793 1.00 1.48 C ATOM 0 H PHE A 70 -2.684 -7.403 -2.468 1.00 0.81 H new ATOM 0 HA PHE A 70 -3.216 -10.258 -3.042 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.299 -7.724 -4.329 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.485 -9.319 -5.031 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.825 -10.583 -2.093 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -6.733 -7.457 -4.271 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -6.878 -10.924 -0.785 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -8.784 -7.796 -2.964 1.00 2.03 H new ATOM 0 HZ PHE A 70 -8.860 -9.529 -1.218 1.00 1.48 H new ATOM 900 N PRO A 71 -1.132 -10.269 -4.477 1.00 0.95 N ATOM 901 CA PRO A 71 0.002 -10.339 -5.401 1.00 1.11 C ATOM 902 C PRO A 71 -0.437 -10.620 -6.835 1.00 1.11 C ATOM 903 O PRO A 71 -1.391 -11.364 -7.068 1.00 1.14 O ATOM 904 CB PRO A 71 0.823 -11.504 -4.854 1.00 1.18 C ATOM 905 CG PRO A 71 -0.180 -12.397 -4.211 1.00 1.13 C ATOM 906 CD PRO A 71 -1.259 -11.497 -3.666 1.00 0.95 C ATOM 0 HA PRO A 71 0.550 -9.398 -5.453 1.00 1.11 H new ATOM 0 HB2 PRO A 71 1.361 -12.019 -5.650 1.00 1.18 H new ATOM 0 HB3 PRO A 71 1.568 -11.162 -4.136 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -0.591 -13.104 -4.932 1.00 1.13 H new ATOM 0 HG3 PRO A 71 0.276 -12.984 -3.414 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -2.246 -11.946 -3.771 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -1.113 -11.293 -2.605 1.00 0.95 H new ATOM 914 N PHE A 72 0.263 -10.022 -7.795 1.00 1.22 N ATOM 915 CA PHE A 72 -0.057 -10.210 -9.205 1.00 1.28 C ATOM 916 C PHE A 72 0.180 -11.658 -9.630 1.00 1.36 C ATOM 917 O PHE A 72 0.614 -12.486 -8.829 1.00 1.47 O ATOM 918 CB PHE A 72 0.779 -9.261 -10.070 1.00 1.36 C ATOM 919 CG PHE A 72 2.234 -9.629 -10.145 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.116 -9.238 -9.150 1.00 1.38 C ATOM 921 CD2 PHE A 72 2.718 -10.370 -11.210 1.00 1.65 C ATOM 922 CE1 PHE A 72 4.452 -9.582 -9.217 1.00 1.46 C ATOM 923 CE2 PHE A 72 4.053 -10.715 -11.283 1.00 1.83 C ATOM 924 CZ PHE A 72 4.922 -10.321 -10.285 1.00 1.39 C ATOM 0 H PHE A 72 1.055 -9.403 -7.621 1.00 1.22 H new ATOM 0 HA PHE A 72 -1.113 -9.981 -9.348 1.00 1.28 H new ATOM 0 HB2 PHE A 72 0.366 -9.245 -11.079 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.690 -8.250 -9.673 1.00 1.36 H new ATOM 0 HD1 PHE A 72 2.755 -8.658 -8.313 1.00 1.38 H new ATOM 0 HD2 PHE A 72 2.043 -10.682 -11.993 1.00 1.65 H new ATOM 0 HE1 PHE A 72 5.129 -9.273 -8.434 1.00 1.46 H new ATOM 0 HE2 PHE A 72 4.417 -11.292 -12.120 1.00 1.83 H new ATOM 0 HZ PHE A 72 5.967 -10.590 -10.339 1.00 1.39 H new ATOM 934 N GLU A 73 -0.107 -11.956 -10.894 1.00 1.56 N ATOM 935 CA GLU A 73 0.078 -13.304 -11.424 1.00 1.67 C ATOM 936 C GLU A 73 1.525 -13.759 -11.262 1.00 1.31 C ATOM 937 O GLU A 73 2.369 -13.492 -12.117 1.00 1.43 O ATOM 938 CB GLU A 73 -0.325 -13.355 -12.899 1.00 2.21 C ATOM 939 CG GLU A 73 0.374 -12.312 -13.757 1.00 2.25 C ATOM 940 CD GLU A 73 -0.497 -11.812 -14.893 1.00 2.36 C ATOM 941 OE1 GLU A 73 -0.525 -12.470 -15.954 1.00 2.89 O ATOM 942 OE2 GLU A 73 -1.153 -10.763 -14.721 1.00 2.62 O ATOM 0 H GLU A 73 -0.468 -11.283 -11.570 1.00 1.56 H new ATOM 0 HA GLU A 73 -0.561 -13.981 -10.857 1.00 1.67 H new ATOM 0 HB2 GLU A 73 -0.103 -14.346 -13.294 1.00 2.21 H new ATOM 0 HB3 GLU A 73 -1.403 -13.215 -12.978 1.00 2.21 H new ATOM 0 HG2 GLU A 73 0.667 -11.469 -13.131 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.290 -12.738 -14.167 1.00 2.25 H new ATOM 949 N CYS A 74 1.802 -14.442 -10.155 1.00 1.48 N ATOM 950 CA CYS A 74 3.147 -14.934 -9.867 1.00 1.68 C ATOM 951 C CYS A 74 3.695 -15.780 -11.017 1.00 1.76 C ATOM 952 O CYS A 74 3.278 -16.923 -11.207 1.00 2.31 O ATOM 953 CB CYS A 74 3.136 -15.762 -8.579 1.00 2.63 C ATOM 954 SG CYS A 74 4.775 -16.283 -8.021 1.00 3.95 S ATOM 0 H CYS A 74 1.111 -14.668 -9.440 1.00 1.48 H new ATOM 0 HA CYS A 74 3.798 -14.069 -9.744 1.00 1.68 H new ATOM 0 HB2 CYS A 74 2.664 -15.178 -7.789 1.00 2.63 H new ATOM 0 HB3 CYS A 74 2.519 -16.647 -8.734 1.00 2.63 H new ATOM 0 HG CYS A 74 4.995 -15.819 -6.827 1.00 3.95 H new ATOM 960 N PRO A 75 4.646 -15.234 -11.800 1.00 1.68 N ATOM 961 CA PRO A 75 5.247 -15.945 -12.920 1.00 2.01 C ATOM 962 C PRO A 75 6.462 -16.765 -12.500 1.00 2.43 C ATOM 963 O PRO A 75 6.531 -17.967 -12.755 1.00 3.08 O ATOM 964 CB PRO A 75 5.652 -14.811 -13.861 1.00 2.13 C ATOM 965 CG PRO A 75 5.899 -13.625 -12.980 1.00 2.21 C ATOM 966 CD PRO A 75 5.212 -13.883 -11.656 1.00 1.89 C ATOM 0 HA PRO A 75 4.568 -16.670 -13.369 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.546 -15.072 -14.427 1.00 2.13 H new ATOM 0 HB3 PRO A 75 4.865 -14.603 -14.586 1.00 2.13 H new ATOM 0 HG2 PRO A 75 6.968 -13.474 -12.833 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.510 -12.718 -13.442 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.916 -13.833 -10.826 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.435 -13.144 -11.460 1.00 1.89 H new ATOM 974 N ASP A 76 7.415 -16.107 -11.851 1.00 2.55 N ATOM 975 CA ASP A 76 8.629 -16.770 -11.388 1.00 3.28 C ATOM 976 C ASP A 76 8.771 -16.641 -9.872 1.00 3.54 C ATOM 977 O ASP A 76 8.358 -17.527 -9.123 1.00 4.33 O ATOM 978 CB ASP A 76 9.856 -16.178 -12.087 1.00 3.70 C ATOM 979 CG ASP A 76 9.934 -16.570 -13.550 1.00 4.37 C ATOM 980 OD1 ASP A 76 8.895 -16.978 -14.112 1.00 4.70 O ATOM 981 OD2 ASP A 76 11.034 -16.470 -14.134 1.00 4.93 O ATOM 0 H ASP A 76 7.371 -15.112 -11.633 1.00 2.55 H new ATOM 0 HA ASP A 76 8.558 -17.829 -11.638 1.00 3.28 H new ATOM 0 HB2 ASP A 76 9.828 -15.091 -12.006 1.00 3.70 H new ATOM 0 HB3 ASP A 76 10.759 -16.512 -11.576 1.00 3.70 H new ATOM 986 N GLU A 77 9.351 -15.529 -9.426 1.00 3.34 N ATOM 987 CA GLU A 77 9.541 -15.279 -8.003 1.00 4.10 C ATOM 988 C GLU A 77 9.048 -13.884 -7.627 1.00 4.12 C ATOM 989 O GLU A 77 9.460 -13.322 -6.613 1.00 4.72 O ATOM 990 CB GLU A 77 11.017 -15.430 -7.630 1.00 4.59 C ATOM 991 CG GLU A 77 11.960 -14.690 -8.565 1.00 5.37 C ATOM 992 CD GLU A 77 12.171 -15.419 -9.877 1.00 6.17 C ATOM 993 OE1 GLU A 77 12.422 -16.642 -9.845 1.00 6.39 O ATOM 994 OE2 GLU A 77 12.085 -14.767 -10.939 1.00 6.84 O ATOM 0 H GLU A 77 9.698 -14.786 -10.033 1.00 3.34 H new ATOM 0 HA GLU A 77 8.957 -16.013 -7.448 1.00 4.10 H new ATOM 0 HB2 GLU A 77 11.166 -15.065 -6.614 1.00 4.59 H new ATOM 0 HB3 GLU A 77 11.276 -16.489 -7.629 1.00 4.59 H new ATOM 0 HG2 GLU A 77 11.560 -13.696 -8.766 1.00 5.37 H new ATOM 0 HG3 GLU A 77 12.922 -14.553 -8.071 1.00 5.37 H new ATOM 1001 N VAL A 78 8.167 -13.328 -8.459 1.00 3.88 N ATOM 1002 CA VAL A 78 7.611 -11.995 -8.233 1.00 4.32 C ATOM 1003 C VAL A 78 8.700 -10.964 -7.936 1.00 4.59 C ATOM 1004 O VAL A 78 8.427 -9.919 -7.348 1.00 4.66 O ATOM 1005 CB VAL A 78 6.577 -11.994 -7.083 1.00 4.22 C ATOM 1006 CG1 VAL A 78 5.598 -13.144 -7.244 1.00 3.62 C ATOM 1007 CG2 VAL A 78 7.259 -12.060 -5.722 1.00 4.61 C ATOM 0 H VAL A 78 7.821 -13.785 -9.302 1.00 3.88 H new ATOM 0 HA VAL A 78 7.109 -11.715 -9.159 1.00 4.32 H new ATOM 0 HB VAL A 78 6.025 -11.056 -7.134 1.00 4.22 H new ATOM 0 HG11 VAL A 78 4.878 -13.127 -6.425 1.00 3.62 H new ATOM 0 HG12 VAL A 78 5.071 -13.043 -8.193 1.00 3.62 H new ATOM 0 HG13 VAL A 78 6.141 -14.089 -7.230 1.00 3.62 H new ATOM 0 HG21 VAL A 78 6.504 -12.058 -4.936 1.00 4.61 H new ATOM 0 HG22 VAL A 78 7.850 -12.974 -5.655 1.00 4.61 H new ATOM 0 HG23 VAL A 78 7.912 -11.196 -5.600 1.00 4.61 H new ATOM 1011 N GLU A 79 9.929 -11.257 -8.344 1.00 5.02 N ATOM 1012 CA GLU A 79 11.038 -10.343 -8.112 1.00 5.37 C ATOM 1013 C GLU A 79 11.230 -9.425 -9.312 1.00 4.83 C ATOM 1014 O GLU A 79 11.983 -9.738 -10.234 1.00 5.25 O ATOM 1015 CB GLU A 79 12.324 -11.119 -7.830 1.00 6.47 C ATOM 1016 CG GLU A 79 12.229 -12.033 -6.618 1.00 7.05 C ATOM 1017 CD GLU A 79 13.587 -12.507 -6.137 1.00 7.91 C ATOM 1018 OE1 GLU A 79 14.360 -13.034 -6.964 1.00 8.58 O ATOM 1019 OE2 GLU A 79 13.876 -12.350 -4.932 1.00 8.13 O ATOM 0 H GLU A 79 10.181 -12.115 -8.834 1.00 5.02 H new ATOM 0 HA GLU A 79 10.803 -9.733 -7.240 1.00 5.37 H new ATOM 0 HB2 GLU A 79 12.578 -11.716 -8.706 1.00 6.47 H new ATOM 0 HB3 GLU A 79 13.140 -10.412 -7.679 1.00 6.47 H new ATOM 0 HG2 GLU A 79 11.725 -11.505 -5.808 1.00 7.05 H new ATOM 0 HG3 GLU A 79 11.614 -12.898 -6.867 1.00 7.05 H new ATOM 1026 N LEU A 80 10.534 -8.295 -9.296 1.00 4.12 N ATOM 1027 CA LEU A 80 10.617 -7.334 -10.385 1.00 3.69 C ATOM 1028 C LEU A 80 9.925 -6.024 -10.010 1.00 3.19 C ATOM 1029 O LEU A 80 9.184 -5.965 -9.031 1.00 2.62 O ATOM 1030 CB LEU A 80 9.991 -7.928 -11.648 1.00 3.48 C ATOM 1031 CG LEU A 80 8.594 -8.524 -11.467 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.721 -8.207 -12.671 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.680 -10.028 -11.255 1.00 3.62 C ATOM 0 H LEU A 80 9.906 -8.023 -8.540 1.00 4.12 H new ATOM 0 HA LEU A 80 11.667 -7.115 -10.577 1.00 3.69 H new ATOM 0 HB2 LEU A 80 9.940 -7.149 -12.409 1.00 3.48 H new ATOM 0 HB3 LEU A 80 10.653 -8.705 -12.031 1.00 3.48 H new ATOM 0 HG LEU A 80 8.140 -8.076 -10.583 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.731 -8.638 -12.526 1.00 4.01 H new ATOM 0 HD12 LEU A 80 7.633 -7.126 -12.782 1.00 4.01 H new ATOM 0 HD13 LEU A 80 8.172 -8.629 -13.569 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.677 -10.435 -11.128 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.153 -10.491 -12.121 1.00 3.62 H new ATOM 0 HD23 LEU A 80 9.272 -10.237 -10.364 1.00 3.62 H new ATOM 1039 N PRO A 81 10.169 -4.946 -10.777 1.00 3.80 N ATOM 1040 CA PRO A 81 9.571 -3.632 -10.508 1.00 3.74 C ATOM 1041 C PRO A 81 8.052 -3.693 -10.359 1.00 2.98 C ATOM 1042 O PRO A 81 7.318 -3.551 -11.336 1.00 3.21 O ATOM 1043 CB PRO A 81 9.954 -2.811 -11.741 1.00 4.99 C ATOM 1044 CG PRO A 81 11.199 -3.451 -12.246 1.00 5.53 C ATOM 1045 CD PRO A 81 11.054 -4.918 -11.958 1.00 4.94 C ATOM 0 HA PRO A 81 9.927 -3.212 -9.567 1.00 3.74 H new ATOM 0 HB2 PRO A 81 9.165 -2.832 -12.492 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.122 -1.765 -11.484 1.00 4.99 H new ATOM 0 HG2 PRO A 81 11.324 -3.273 -13.314 1.00 5.53 H new ATOM 0 HG3 PRO A 81 12.078 -3.041 -11.749 1.00 5.53 H new ATOM 0 HD2 PRO A 81 10.616 -5.452 -12.801 1.00 4.94 H new ATOM 0 HD3 PRO A 81 12.017 -5.384 -11.750 1.00 4.94 H new ATOM 1053 N LEU A 82 7.589 -3.896 -9.127 1.00 2.52 N ATOM 1054 CA LEU A 82 6.157 -3.964 -8.849 1.00 1.87 C ATOM 1055 C LEU A 82 5.893 -4.174 -7.363 1.00 1.58 C ATOM 1056 O LEU A 82 6.763 -4.629 -6.621 1.00 2.06 O ATOM 1057 CB LEU A 82 5.499 -5.093 -9.645 1.00 1.92 C ATOM 1058 CG LEU A 82 6.368 -6.329 -9.872 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.730 -6.988 -8.550 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.655 -7.314 -10.780 1.00 2.10 C ATOM 0 H LEU A 82 8.184 -4.016 -8.307 1.00 2.52 H new ATOM 0 HA LEU A 82 5.723 -3.011 -9.153 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.591 -5.399 -9.126 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.195 -4.701 -10.615 1.00 1.92 H new ATOM 0 HG LEU A 82 7.292 -6.013 -10.356 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.349 -7.865 -8.738 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.282 -6.281 -7.930 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.819 -7.290 -8.033 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.286 -8.190 -10.933 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.716 -7.619 -10.319 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.451 -6.841 -11.741 1.00 2.10 H new ATOM 1066 N LEU A 83 4.680 -3.839 -6.940 1.00 1.15 N ATOM 1067 CA LEU A 83 4.285 -3.993 -5.546 1.00 1.18 C ATOM 1068 C LEU A 83 2.999 -4.810 -5.428 1.00 1.05 C ATOM 1069 O LEU A 83 2.761 -5.467 -4.415 1.00 1.39 O ATOM 1070 CB LEU A 83 4.101 -2.623 -4.893 1.00 1.20 C ATOM 1071 CG LEU A 83 5.347 -1.733 -4.904 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.156 -0.550 -5.841 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.674 -1.255 -3.497 1.00 2.48 C ATOM 0 H LEU A 83 3.952 -3.458 -7.544 1.00 1.15 H new ATOM 0 HA LEU A 83 5.079 -4.530 -5.026 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.293 -2.099 -5.403 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.785 -2.768 -3.860 1.00 1.20 H new ATOM 0 HG LEU A 83 6.186 -2.325 -5.270 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.053 0.069 -5.833 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.974 -0.913 -6.853 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.304 0.043 -5.509 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.562 -0.624 -3.524 1.00 2.48 H new ATOM 0 HD22 LEU A 83 4.834 -0.683 -3.103 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.860 -2.116 -2.854 1.00 2.48 H new ATOM 1079 N GLY A 84 2.175 -4.770 -6.473 1.00 0.86 N ATOM 1080 CA GLY A 84 0.929 -5.517 -6.466 1.00 1.17 C ATOM 1081 C GLY A 84 -0.200 -4.780 -5.770 1.00 1.02 C ATOM 1082 O GLY A 84 -0.108 -3.575 -5.520 1.00 0.95 O ATOM 0 H GLY A 84 2.348 -4.234 -7.323 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.636 -5.733 -7.493 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.089 -6.475 -5.972 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.271 -5.509 -5.458 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.429 -4.928 -4.786 1.00 0.88 C ATOM 1088 C ASP A 85 -2.331 -5.128 -3.275 1.00 0.82 C ATOM 1089 O ASP A 85 -1.640 -6.033 -2.808 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.719 -5.560 -5.319 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.439 -4.664 -6.306 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.218 -3.794 -5.860 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -4.226 -4.830 -7.525 1.00 2.12 O ATOM 0 H ASP A 85 -1.359 -6.505 -5.661 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.447 -3.858 -4.992 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.483 -6.509 -5.800 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.383 -5.782 -4.484 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.018 -4.280 -2.514 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.992 -4.375 -1.057 1.00 0.69 C ATOM 1100 C LEU A 86 -4.394 -4.275 -0.463 1.00 0.60 C ATOM 1101 O LEU A 86 -5.297 -3.693 -1.064 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.097 -3.279 -0.474 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.051 -3.765 0.534 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.236 -2.967 0.393 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.590 -3.668 1.954 1.00 1.10 C ATOM 0 H LEU A 86 -3.596 -3.523 -2.879 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.586 -5.352 -0.795 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.584 -2.776 -1.293 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.729 -2.535 0.011 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.831 -4.811 0.323 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.968 -3.326 1.117 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.632 -3.090 -0.615 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.032 -1.912 0.576 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.832 -4.018 2.655 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.841 -2.631 2.178 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.483 -4.286 2.047 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.562 -4.847 0.726 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.847 -4.827 1.419 1.00 0.59 C ATOM 1113 C VAL A 87 -5.648 -4.613 2.917 1.00 0.66 C ATOM 1114 O VAL A 87 -5.575 -5.571 3.686 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.633 -6.134 1.197 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.064 -5.986 1.690 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.606 -6.532 -0.271 1.00 1.15 C ATOM 0 H VAL A 87 -3.821 -5.332 1.232 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.421 -3.999 1.003 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.154 -6.926 1.773 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.604 -6.918 1.525 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.060 -5.752 2.755 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.556 -5.181 1.144 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.166 -7.457 -0.408 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.058 -5.742 -0.871 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.574 -6.683 -0.588 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.550 -3.351 3.321 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.346 -3.006 4.723 1.00 0.66 C ATOM 1123 C ILE A 88 -6.665 -2.635 5.404 1.00 0.74 C ATOM 1124 O ILE A 88 -7.634 -2.263 4.743 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.340 -1.835 4.859 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.921 -2.324 4.568 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.410 -1.200 6.243 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.084 -1.326 3.797 1.00 1.94 C ATOM 0 H ILE A 88 -5.609 -2.548 2.695 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.938 -3.887 5.219 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.610 -1.072 4.129 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.423 -2.552 5.511 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.975 -3.254 4.003 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.692 -0.382 6.305 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.415 -0.814 6.416 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.173 -1.949 6.999 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.090 -1.740 3.626 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.559 -1.116 2.839 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.999 -0.403 4.370 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.686 -2.735 6.730 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.874 -2.405 7.508 1.00 0.89 C ATOM 1134 C CYS A 89 -7.791 -0.975 8.035 1.00 0.78 C ATOM 1135 O CYS A 89 -7.119 -0.707 9.031 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.038 -3.385 8.671 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.046 -5.123 8.175 1.00 1.32 S ATOM 0 H CYS A 89 -5.890 -3.043 7.289 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.743 -2.485 6.855 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.229 -3.225 9.384 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.970 -3.162 9.191 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.187 -5.874 9.227 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.474 -0.061 7.353 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.478 1.349 7.736 1.00 0.91 C ATOM 1145 C ARG A 90 -8.864 1.532 9.203 1.00 0.81 C ATOM 1146 O ARG A 90 -8.462 2.505 9.840 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.448 2.127 6.844 1.00 1.14 C ATOM 1148 CG ARG A 90 -9.545 3.607 7.185 1.00 2.09 C ATOM 1149 CD ARG A 90 -10.991 4.054 7.320 1.00 2.56 C ATOM 1150 NE ARG A 90 -11.665 3.398 8.440 1.00 3.28 N ATOM 1151 CZ ARG A 90 -11.621 3.839 9.696 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -10.932 4.930 10.001 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.267 3.183 10.650 1.00 5.12 N ATOM 0 H ARG A 90 -9.035 -0.272 6.528 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.467 1.734 7.604 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.134 2.023 5.805 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.439 1.680 6.924 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -9.014 3.802 8.117 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -9.053 4.193 6.409 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.025 5.135 7.459 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.526 3.835 6.396 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.201 2.552 8.248 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -10.431 5.437 9.272 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -10.903 5.262 10.965 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -12.797 2.342 10.422 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.234 3.519 11.612 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.650 0.603 9.731 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.094 0.677 11.118 1.00 0.63 C ATOM 1169 C GLN A 91 -8.916 0.658 12.090 1.00 0.58 C ATOM 1170 O GLN A 91 -8.927 1.357 13.102 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.051 -0.478 11.430 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.518 -0.094 11.333 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.021 -0.070 9.903 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.266 0.209 8.972 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.302 -0.366 9.722 1.00 1.12 N ATOM 0 H GLN A 91 -9.994 -0.211 9.221 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.617 1.625 11.247 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.853 -1.300 10.742 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.846 -0.848 12.435 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -13.114 -0.800 11.912 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.663 0.889 11.782 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.892 -0.591 10.523 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.697 -0.368 8.782 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.906 -0.152 11.786 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.734 -0.265 12.649 1.00 0.60 C ATOM 1184 C VAL A 92 -5.749 0.880 12.426 1.00 0.55 C ATOM 1185 O VAL A 92 -5.452 1.645 13.347 1.00 0.65 O ATOM 1186 CB VAL A 92 -6.003 -1.602 12.426 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.917 -1.798 13.471 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -6.990 -2.760 12.450 1.00 1.68 C ATOM 0 H VAL A 92 -7.875 -0.738 10.952 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.102 -0.218 13.674 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.530 -1.577 11.444 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.412 -2.748 13.297 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -4.195 -0.985 13.402 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -5.365 -1.802 14.465 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -6.456 -3.697 12.291 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -7.493 -2.789 13.416 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -7.729 -2.625 11.660 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.234 0.986 11.205 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.268 2.030 10.870 1.00 0.49 C ATOM 1194 C VAL A 93 -4.796 3.417 11.237 1.00 0.54 C ATOM 1195 O VAL A 93 -4.094 4.210 11.868 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.875 1.989 9.370 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.693 0.551 8.909 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.903 2.699 8.500 1.00 0.69 C ATOM 0 H VAL A 93 -5.468 0.364 10.432 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.374 1.832 11.461 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.928 2.519 9.262 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.417 0.539 7.854 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.905 0.078 9.495 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.626 0.004 9.046 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.593 2.649 7.456 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.873 2.215 8.614 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -4.980 3.742 8.806 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.037 3.698 10.852 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.650 4.985 11.155 1.00 0.69 C ATOM 1204 C GLU A 94 -6.804 5.157 12.660 1.00 0.67 C ATOM 1205 O GLU A 94 -6.656 6.259 13.188 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.012 5.108 10.472 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.488 6.545 10.324 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.542 6.997 8.878 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -7.545 6.791 8.154 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -9.581 7.557 8.469 1.00 2.25 O ATOM 0 H GLU A 94 -6.635 3.055 10.332 1.00 0.59 H new ATOM 0 HA GLU A 94 -5.998 5.771 10.774 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -7.958 4.648 9.485 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.749 4.546 11.046 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.479 6.643 10.768 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -7.822 7.203 10.882 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.090 4.057 13.350 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.247 4.092 14.798 1.00 0.61 C ATOM 1219 C ARG A 95 -5.920 4.446 15.456 1.00 0.70 C ATOM 1220 O ARG A 95 -5.823 5.420 16.205 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.753 2.743 15.317 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.827 2.659 16.834 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.585 1.421 17.286 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.159 0.969 18.609 1.00 2.18 N ATOM 1225 CZ ARG A 95 -8.643 -0.114 19.213 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -9.566 -0.858 18.618 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -8.202 -0.453 20.417 1.00 3.75 N ATOM 0 H ARG A 95 -7.217 3.136 12.931 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.983 4.855 15.051 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.743 2.553 14.903 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.097 1.954 14.950 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.819 2.641 17.248 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.317 3.550 17.226 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.653 1.637 17.304 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.433 0.619 16.563 1.00 1.58 H new ATOM 0 HE ARG A 95 -7.450 1.515 19.098 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -9.909 -0.601 17.692 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -9.933 -1.687 19.086 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -7.493 0.116 20.879 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -8.572 -1.283 20.881 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.892 3.656 15.155 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.564 3.896 15.703 1.00 0.86 C ATOM 1243 C GLU A 96 -3.074 5.282 15.306 1.00 0.90 C ATOM 1244 O GLU A 96 -2.377 5.950 16.070 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.582 2.832 15.211 1.00 0.93 C ATOM 1246 CG GLU A 96 -2.433 2.795 13.699 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.461 1.727 13.234 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -0.239 1.932 13.385 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -1.924 0.687 12.721 1.00 1.89 O ATOM 0 H GLU A 96 -4.955 2.847 14.537 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.623 3.840 16.790 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -1.606 3.015 15.660 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.914 1.854 15.559 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -3.408 2.616 13.246 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.092 3.769 13.347 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.458 5.714 14.107 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.071 7.027 13.608 1.00 0.92 C ATOM 1258 C ALA A 97 -3.801 8.126 14.370 1.00 1.00 C ATOM 1259 O ALA A 97 -3.180 9.043 14.907 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.361 7.134 12.119 1.00 0.87 C ATOM 0 H ALA A 97 -4.037 5.173 13.465 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.000 7.152 13.764 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.067 8.120 11.761 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.798 6.370 11.583 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.427 6.988 11.945 1.00 0.87 H new ATOM 1266 N SER A 98 -5.126 8.022 14.417 1.00 0.92 N ATOM 1267 CA SER A 98 -5.945 9.001 15.120 1.00 1.01 C ATOM 1268 C SER A 98 -5.584 9.042 16.601 1.00 1.07 C ATOM 1269 O SER A 98 -5.759 10.064 17.265 1.00 1.18 O ATOM 1270 CB SER A 98 -7.429 8.670 14.953 1.00 0.99 C ATOM 1271 OG SER A 98 -7.986 9.365 13.851 1.00 1.50 O ATOM 0 H SER A 98 -5.654 7.269 13.976 1.00 0.92 H new ATOM 0 HA SER A 98 -5.750 9.982 14.688 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.551 7.596 14.809 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.968 8.933 15.863 1.00 0.99 H new ATOM 0 HG SER A 98 -8.935 9.135 13.765 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.067 7.927 17.112 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.668 7.842 18.511 1.00 1.13 C ATOM 1279 C GLU A 99 -3.248 8.361 18.680 1.00 1.27 C ATOM 1280 O GLU A 99 -2.905 8.965 19.695 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.763 6.399 19.009 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.472 6.246 20.494 1.00 1.76 C ATOM 1283 CD GLU A 99 -3.526 5.099 20.789 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -3.670 4.032 20.155 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -2.639 5.268 21.652 1.00 2.88 O ATOM 0 H GLU A 99 -4.915 7.072 16.577 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.345 8.458 19.104 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.763 6.017 18.802 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.063 5.782 18.445 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.042 7.173 20.873 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.408 6.086 21.029 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.432 8.117 17.663 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.044 8.551 17.662 1.00 1.37 C ATOM 1294 C GLN A 100 -0.960 10.078 17.672 1.00 1.48 C ATOM 1295 O GLN A 100 -0.013 10.653 18.207 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.333 7.948 16.438 1.00 1.33 C ATOM 1297 CG GLN A 100 0.704 8.845 15.777 1.00 1.96 C ATOM 1298 CD GLN A 100 2.101 8.620 16.322 1.00 2.38 C ATOM 1299 OE1 GLN A 100 3.056 8.450 15.564 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.228 8.617 17.644 1.00 2.35 N ATOM 0 H GLN A 100 -2.713 7.615 16.821 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.544 8.198 18.564 1.00 1.37 H new ATOM 0 HB2 GLN A 100 0.154 7.021 16.742 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -1.086 7.684 15.696 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.704 8.664 14.702 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.424 9.888 15.925 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.410 8.762 18.235 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.144 8.470 18.068 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.962 10.727 17.081 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.008 12.187 17.025 1.00 1.59 C ATOM 1309 C GLU A 101 -0.961 12.734 16.058 1.00 1.58 C ATOM 1310 O GLU A 101 -0.135 13.569 16.429 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.800 12.785 18.419 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.357 14.191 18.567 1.00 2.02 C ATOM 1313 CD GLU A 101 -1.396 15.129 19.270 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -0.776 14.705 20.269 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -1.263 16.288 18.824 1.00 2.68 O ATOM 0 H GLU A 101 -2.753 10.264 16.634 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.994 12.476 16.661 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -2.272 12.137 19.157 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.733 12.800 18.643 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -2.592 14.590 17.580 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.292 14.150 19.125 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.005 12.264 14.816 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.065 12.710 13.794 1.00 1.36 C ATOM 1324 C LYS A 102 -0.754 12.814 12.433 1.00 1.24 C ATOM 1325 O LYS A 102 -1.852 12.290 12.245 1.00 1.16 O ATOM 1326 CB LYS A 102 1.126 11.750 13.710 1.00 1.37 C ATOM 1327 CG LYS A 102 2.419 12.335 14.259 1.00 1.77 C ATOM 1328 CD LYS A 102 2.703 11.845 15.671 1.00 2.28 C ATOM 1329 CE LYS A 102 2.506 12.947 16.701 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.737 13.177 17.509 1.00 2.36 N ATOM 0 H LYS A 102 -1.682 11.573 14.492 1.00 1.36 H new ATOM 0 HA LYS A 102 0.299 13.699 14.073 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.887 10.839 14.259 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.279 11.464 12.669 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.248 12.063 13.606 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.356 13.423 14.257 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.046 11.007 15.904 1.00 2.28 H new ATOM 0 HD3 LYS A 102 3.726 11.473 15.728 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.225 13.871 16.195 1.00 2.19 H new ATOM 0 HE3 LYS A 102 1.681 12.683 17.363 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 3.563 13.935 18.199 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.991 12.303 18.012 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.518 13.454 16.881 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.117 13.495 11.463 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.678 13.663 10.119 1.00 1.21 C ATOM 1346 C PRO A 103 -0.998 12.327 9.456 1.00 1.01 C ATOM 1347 O PRO A 103 -0.098 11.556 9.120 1.00 0.97 O ATOM 1348 CB PRO A 103 0.426 14.398 9.344 1.00 1.28 C ATOM 1349 CG PRO A 103 1.659 14.247 10.171 1.00 1.36 C ATOM 1350 CD PRO A 103 1.193 14.151 11.594 1.00 1.42 C ATOM 0 HA PRO A 103 -1.623 14.206 10.143 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.563 13.967 8.352 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.174 15.449 9.203 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.216 13.356 9.882 1.00 1.36 H new ATOM 0 HG3 PRO A 103 2.326 15.098 10.036 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.879 13.566 12.206 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.109 15.133 12.060 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.287 12.059 9.273 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.733 10.816 8.652 1.00 0.93 C ATOM 1360 C LEU A 104 -2.150 10.659 7.249 1.00 0.85 C ATOM 1361 O LEU A 104 -2.032 9.546 6.739 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.262 10.777 8.594 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.908 9.616 9.352 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.423 9.678 9.232 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.384 8.285 8.832 1.00 1.51 C ATOM 0 H LEU A 104 -3.043 12.687 9.546 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.375 9.986 9.261 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.650 11.713 8.995 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.570 10.725 7.550 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.644 9.702 10.406 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.866 8.844 9.777 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.783 10.618 9.651 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.708 9.616 8.182 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -4.854 7.469 9.382 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.619 8.191 7.772 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.304 8.241 8.969 1.00 1.51 H new ATOM 1371 N MET A 105 -1.789 11.780 6.629 1.00 0.98 N ATOM 1372 CA MET A 105 -1.219 11.763 5.283 1.00 0.99 C ATOM 1373 C MET A 105 -0.046 10.790 5.196 1.00 0.76 C ATOM 1374 O MET A 105 -0.064 9.850 4.401 1.00 0.81 O ATOM 1375 CB MET A 105 -0.766 13.170 4.883 1.00 1.22 C ATOM 1376 CG MET A 105 -1.368 13.655 3.574 1.00 1.08 C ATOM 1377 SD MET A 105 -2.999 14.394 3.791 1.00 1.56 S ATOM 1378 CE MET A 105 -3.915 13.003 4.446 1.00 1.27 C ATOM 0 H MET A 105 -1.881 12.711 7.036 1.00 0.98 H new ATOM 0 HA MET A 105 -1.992 11.427 4.592 1.00 0.99 H new ATOM 0 HB2 MET A 105 -1.033 13.868 5.677 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.321 13.183 4.800 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.699 14.387 3.120 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.442 12.817 2.880 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.982 13.224 4.417 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.711 12.117 3.844 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.611 12.820 5.476 1.00 1.27 H new ATOM 1388 N ALA A 106 0.972 11.024 6.017 1.00 0.70 N ATOM 1389 CA ALA A 106 2.154 10.170 6.032 1.00 0.63 C ATOM 1390 C ALA A 106 1.792 8.740 6.426 1.00 0.54 C ATOM 1391 O ALA A 106 2.378 7.778 5.926 1.00 0.61 O ATOM 1392 CB ALA A 106 3.197 10.737 6.985 1.00 0.84 C ATOM 0 H ALA A 106 1.002 11.798 6.681 1.00 0.70 H new ATOM 0 HA ALA A 106 2.572 10.145 5.025 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.075 10.092 6.989 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.483 11.737 6.659 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.781 10.789 7.991 1.00 0.84 H new ATOM 1398 N HIS A 107 0.823 8.607 7.327 1.00 0.53 N ATOM 1399 CA HIS A 107 0.383 7.295 7.791 1.00 0.60 C ATOM 1400 C HIS A 107 0.089 6.366 6.619 1.00 0.55 C ATOM 1401 O HIS A 107 0.600 5.250 6.559 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.860 7.431 8.672 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.009 6.321 9.665 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.315 6.277 10.857 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.781 5.208 9.642 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.651 5.186 11.521 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.539 4.521 10.806 1.00 2.34 N ATOM 0 H HIS A 107 0.327 9.392 7.750 1.00 0.53 H new ATOM 0 HA HIS A 107 1.192 6.860 8.378 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.817 8.381 9.204 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.745 7.461 8.037 1.00 0.70 H new ATOM 0 HD2 HIS A 107 -2.460 4.916 8.855 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.265 4.889 12.485 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -1.975 3.639 11.075 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.735 6.836 5.688 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.092 6.045 4.517 1.00 0.46 C ATOM 1418 C TRP A 108 0.152 5.680 3.713 1.00 0.43 C ATOM 1419 O TRP A 108 0.368 4.512 3.383 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.082 6.813 3.639 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.503 6.684 4.099 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.255 5.544 4.123 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.342 7.730 4.600 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.511 5.819 4.609 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.588 7.154 4.910 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.161 9.099 4.818 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.647 7.899 5.425 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.212 9.837 5.329 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.441 9.235 5.628 1.00 2.00 C ATOM 0 H TRP A 108 -1.167 7.759 5.722 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.565 5.124 4.857 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.805 7.867 3.627 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.005 6.451 2.614 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.913 4.570 3.807 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.263 5.140 4.727 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.217 9.572 4.591 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.596 7.438 5.655 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.084 10.896 5.501 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.242 9.839 6.027 1.00 2.00 H new ATOM 1440 N ALA A 109 0.974 6.683 3.409 1.00 0.47 N ATOM 1441 CA ALA A 109 2.202 6.462 2.653 1.00 0.51 C ATOM 1442 C ALA A 109 3.053 5.382 3.311 1.00 0.49 C ATOM 1443 O ALA A 109 3.447 4.411 2.668 1.00 0.64 O ATOM 1444 CB ALA A 109 2.988 7.761 2.528 1.00 0.62 C ATOM 0 H ALA A 109 0.811 7.654 3.675 1.00 0.47 H new ATOM 0 HA ALA A 109 1.934 6.121 1.653 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.902 7.580 1.962 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.382 8.505 2.011 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.244 8.128 3.522 1.00 0.62 H new ATOM 1450 N HIS A 110 3.323 5.549 4.600 1.00 0.44 N ATOM 1451 CA HIS A 110 4.114 4.576 5.341 1.00 0.53 C ATOM 1452 C HIS A 110 3.361 3.253 5.442 1.00 0.60 C ATOM 1453 O HIS A 110 3.959 2.177 5.372 1.00 0.86 O ATOM 1454 CB HIS A 110 4.436 5.104 6.740 1.00 0.57 C ATOM 1455 CG HIS A 110 5.529 4.347 7.427 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.290 3.322 8.318 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.876 4.471 7.352 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.441 2.848 8.761 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.418 3.527 8.189 1.00 2.16 N ATOM 0 H HIS A 110 3.007 6.346 5.152 1.00 0.44 H new ATOM 0 HA HIS A 110 5.049 4.411 4.806 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.722 6.153 6.667 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.535 5.061 7.352 1.00 0.57 H new ATOM 0 HD2 HIS A 110 7.422 5.180 6.747 1.00 1.90 H new ATOM 0 HE1 HIS A 110 6.562 2.042 9.470 1.00 1.93 H new ATOM 0 HE2 HIS A 110 8.415 3.375 8.344 1.00 2.16 H new ATOM 1468 N MET A 111 2.043 3.343 5.604 1.00 0.50 N ATOM 1469 CA MET A 111 1.201 2.160 5.712 1.00 0.59 C ATOM 1470 C MET A 111 1.335 1.277 4.475 1.00 0.59 C ATOM 1471 O MET A 111 1.689 0.103 4.574 1.00 0.78 O ATOM 1472 CB MET A 111 -0.262 2.566 5.904 1.00 0.63 C ATOM 1473 CG MET A 111 -0.722 2.516 7.352 1.00 1.24 C ATOM 1474 SD MET A 111 -0.566 0.869 8.072 1.00 2.04 S ATOM 1475 CE MET A 111 -1.189 -0.147 6.734 1.00 1.59 C ATOM 0 H MET A 111 1.536 4.226 5.663 1.00 0.50 H new ATOM 0 HA MET A 111 1.532 1.590 6.580 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.403 3.577 5.521 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.894 1.908 5.308 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.137 3.223 7.940 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.762 2.837 7.410 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.540 -1.099 7.133 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.015 0.367 6.241 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.392 -0.328 6.013 1.00 1.59 H new ATOM 1485 N VAL A 112 1.046 1.848 3.308 1.00 0.51 N ATOM 1486 CA VAL A 112 1.133 1.105 2.054 1.00 0.58 C ATOM 1487 C VAL A 112 2.488 0.418 1.912 1.00 0.64 C ATOM 1488 O VAL A 112 2.581 -0.691 1.385 1.00 0.78 O ATOM 1489 CB VAL A 112 0.897 2.019 0.835 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.545 2.503 0.799 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.858 3.197 0.848 1.00 1.42 C ATOM 0 H VAL A 112 0.751 2.819 3.205 1.00 0.51 H new ATOM 0 HA VAL A 112 0.349 0.349 2.083 1.00 0.58 H new ATOM 0 HB VAL A 112 1.086 1.437 -0.067 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.691 3.147 -0.068 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.215 1.646 0.732 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.763 3.064 1.708 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.672 3.828 -0.022 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.708 3.779 1.757 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.884 2.830 0.818 1.00 1.42 H new ATOM 1495 N VAL A 113 3.537 1.079 2.392 1.00 0.61 N ATOM 1496 CA VAL A 113 4.885 0.530 2.321 1.00 0.72 C ATOM 1497 C VAL A 113 5.070 -0.603 3.325 1.00 0.82 C ATOM 1498 O VAL A 113 5.540 -1.685 2.973 1.00 1.03 O ATOM 1499 CB VAL A 113 5.951 1.611 2.581 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.349 1.052 2.354 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.705 2.828 1.699 1.00 0.63 C ATOM 0 H VAL A 113 3.478 1.996 2.834 1.00 0.61 H new ATOM 0 HA VAL A 113 5.014 0.143 1.310 1.00 0.72 H new ATOM 0 HB VAL A 113 5.876 1.924 3.622 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.087 1.831 2.543 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.521 0.217 3.033 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.440 0.708 1.324 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.468 3.581 1.897 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.750 2.533 0.651 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.721 3.243 1.917 1.00 0.63 H new ATOM 1505 N HIS A 114 4.699 -0.351 4.578 1.00 0.75 N ATOM 1506 CA HIS A 114 4.828 -1.357 5.626 1.00 0.85 C ATOM 1507 C HIS A 114 4.048 -2.621 5.264 1.00 0.96 C ATOM 1508 O HIS A 114 4.502 -3.737 5.512 1.00 1.08 O ATOM 1509 CB HIS A 114 4.353 -0.784 6.973 1.00 0.89 C ATOM 1510 CG HIS A 114 3.103 -1.416 7.513 1.00 0.99 C ATOM 1511 ND1 HIS A 114 3.113 -2.514 8.348 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.801 -1.099 7.331 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.871 -2.844 8.653 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.055 -2.000 8.049 1.00 1.36 N ATOM 0 H HIS A 114 4.308 0.538 4.890 1.00 0.75 H new ATOM 0 HA HIS A 114 5.879 -1.630 5.719 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.151 -0.903 7.706 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.183 0.287 6.858 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.949 -2.996 8.678 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.419 -0.286 6.731 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.573 -3.665 9.289 1.00 1.30 H new ATOM 1523 N GLY A 115 2.872 -2.432 4.676 1.00 1.03 N ATOM 1524 CA GLY A 115 2.046 -3.559 4.288 1.00 1.18 C ATOM 1525 C GLY A 115 2.487 -4.180 2.978 1.00 1.20 C ATOM 1526 O GLY A 115 2.435 -5.399 2.812 1.00 1.36 O ATOM 0 H GLY A 115 2.476 -1.517 4.461 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.077 -4.315 5.073 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.010 -3.232 4.201 1.00 1.18 H new ATOM 1530 N SER A 116 2.924 -3.342 2.043 1.00 1.17 N ATOM 1531 CA SER A 116 3.377 -3.817 0.742 1.00 1.26 C ATOM 1532 C SER A 116 4.586 -4.737 0.886 1.00 1.36 C ATOM 1533 O SER A 116 4.593 -5.855 0.370 1.00 1.63 O ATOM 1534 CB SER A 116 3.728 -2.632 -0.161 1.00 1.31 C ATOM 1535 OG SER A 116 2.563 -2.062 -0.734 1.00 1.72 O ATOM 0 H SER A 116 2.974 -2.330 2.163 1.00 1.17 H new ATOM 0 HA SER A 116 2.565 -4.385 0.288 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.260 -1.876 0.417 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.402 -2.961 -0.952 1.00 1.31 H new ATOM 0 HG SER A 116 2.258 -1.314 -0.179 1.00 1.72 H new ATOM 1541 N LEU A 117 5.609 -4.257 1.585 1.00 1.28 N ATOM 1542 CA LEU A 117 6.828 -5.031 1.796 1.00 1.49 C ATOM 1543 C LEU A 117 6.548 -6.305 2.588 1.00 1.69 C ATOM 1544 O LEU A 117 7.144 -7.350 2.333 1.00 1.94 O ATOM 1545 CB LEU A 117 7.869 -4.186 2.533 1.00 1.49 C ATOM 1546 CG LEU A 117 9.157 -4.921 2.911 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.335 -3.961 2.929 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.003 -5.605 4.262 1.00 2.38 C ATOM 0 H LEU A 117 5.618 -3.333 2.016 1.00 1.28 H new ATOM 0 HA LEU A 117 7.215 -5.314 0.817 1.00 1.49 H new ATOM 0 HB2 LEU A 117 8.128 -3.331 1.908 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.415 -3.791 3.442 1.00 1.49 H new ATOM 0 HG LEU A 117 9.350 -5.685 2.158 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.241 -4.502 3.200 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.459 -3.518 1.941 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.151 -3.173 3.659 1.00 2.07 H new ATOM 0 HD21 LEU A 117 9.928 -6.123 4.515 1.00 2.38 H new ATOM 0 HD22 LEU A 117 8.785 -4.858 5.025 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.186 -6.325 4.214 1.00 2.38 H new ATOM 1554 N HIS A 118 5.647 -6.208 3.556 1.00 1.70 N ATOM 1555 CA HIS A 118 5.300 -7.350 4.394 1.00 2.04 C ATOM 1556 C HIS A 118 4.693 -8.484 3.571 1.00 2.25 C ATOM 1557 O HIS A 118 4.879 -9.658 3.890 1.00 2.60 O ATOM 1558 CB HIS A 118 4.319 -6.922 5.488 1.00 2.10 C ATOM 1559 CG HIS A 118 4.980 -6.615 6.796 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.244 -6.074 6.894 1.00 2.63 N ATOM 1561 CD2 HIS A 118 4.543 -6.776 8.068 1.00 2.93 C ATOM 1562 CE1 HIS A 118 6.557 -5.915 8.168 1.00 3.13 C ATOM 1563 NE2 HIS A 118 5.541 -6.333 8.900 1.00 3.28 N ATOM 0 H HIS A 118 5.142 -5.351 3.781 1.00 1.70 H new ATOM 0 HA HIS A 118 6.219 -7.717 4.852 1.00 2.04 H new ATOM 0 HB2 HIS A 118 3.772 -6.041 5.151 1.00 2.10 H new ATOM 0 HB3 HIS A 118 3.586 -7.714 5.638 1.00 2.10 H new ATOM 0 HD2 HIS A 118 3.588 -7.178 8.371 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.485 -5.512 8.546 1.00 3.13 H new ATOM 0 HE2 HIS A 118 5.504 -6.328 9.919 1.00 3.28 H new ATOM 1572 N LEU A 119 3.952 -8.131 2.526 1.00 2.15 N ATOM 1573 CA LEU A 119 3.306 -9.132 1.683 1.00 2.45 C ATOM 1574 C LEU A 119 4.093 -9.414 0.404 1.00 2.53 C ATOM 1575 O LEU A 119 3.902 -10.457 -0.222 1.00 2.98 O ATOM 1576 CB LEU A 119 1.883 -8.686 1.330 1.00 2.52 C ATOM 1577 CG LEU A 119 0.994 -9.762 0.696 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.306 -9.914 -0.786 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.160 -11.094 1.418 1.00 2.27 C ATOM 0 H LEU A 119 3.784 -7.165 2.243 1.00 2.15 H new ATOM 0 HA LEU A 119 3.272 -10.059 2.256 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.398 -8.326 2.237 1.00 2.52 H new ATOM 0 HB3 LEU A 119 1.945 -7.840 0.645 1.00 2.52 H new ATOM 0 HG LEU A 119 -0.044 -9.446 0.796 1.00 2.47 H new ATOM 0 HD11 LEU A 119 0.664 -10.683 -1.216 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.128 -8.966 -1.294 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.350 -10.202 -0.910 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.520 -11.843 0.952 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.200 -11.415 1.355 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.879 -10.978 2.465 1.00 2.27 H new ATOM 1585 N LEU A 120 4.964 -8.493 0.004 1.00 2.25 N ATOM 1586 CA LEU A 120 5.741 -8.683 -1.218 1.00 2.47 C ATOM 1587 C LEU A 120 7.243 -8.763 -0.945 1.00 2.57 C ATOM 1588 O LEU A 120 7.931 -9.617 -1.503 1.00 3.07 O ATOM 1589 CB LEU A 120 5.433 -7.568 -2.223 1.00 2.62 C ATOM 1590 CG LEU A 120 6.160 -6.240 -1.991 1.00 2.70 C ATOM 1591 CD1 LEU A 120 7.489 -6.223 -2.730 1.00 3.20 C ATOM 1592 CD2 LEU A 120 5.287 -5.077 -2.435 1.00 2.88 C ATOM 0 H LEU A 120 5.149 -7.620 0.499 1.00 2.25 H new ATOM 0 HA LEU A 120 5.444 -9.641 -1.645 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.682 -7.927 -3.222 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.359 -7.380 -2.210 1.00 2.62 H new ATOM 0 HG LEU A 120 6.361 -6.136 -0.925 1.00 2.70 H new ATOM 0 HD11 LEU A 120 7.991 -5.272 -2.554 1.00 3.20 H new ATOM 0 HD12 LEU A 120 8.117 -7.037 -2.369 1.00 3.20 H new ATOM 0 HD13 LEU A 120 7.313 -6.347 -3.798 1.00 3.20 H new ATOM 0 HD21 LEU A 120 5.816 -4.139 -2.265 1.00 2.88 H new ATOM 0 HD22 LEU A 120 5.059 -5.177 -3.496 1.00 2.88 H new ATOM 0 HD23 LEU A 120 4.359 -5.079 -1.863 1.00 2.88 H new ATOM 1598 N GLY A 121 7.752 -7.879 -0.094 1.00 2.56 N ATOM 1599 CA GLY A 121 9.171 -7.896 0.210 1.00 3.27 C ATOM 1600 C GLY A 121 9.973 -6.984 -0.699 1.00 3.49 C ATOM 1601 O GLY A 121 10.729 -7.458 -1.547 1.00 4.12 O ATOM 0 H GLY A 121 7.214 -7.158 0.387 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.320 -7.593 1.246 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.546 -8.915 0.119 1.00 3.27 H new ATOM 1605 N TYR A 122 9.794 -5.672 -0.526 1.00 3.41 N ATOM 1606 CA TYR A 122 10.491 -4.660 -1.331 1.00 4.05 C ATOM 1607 C TYR A 122 11.882 -5.122 -1.772 1.00 4.04 C ATOM 1608 O TYR A 122 12.326 -4.809 -2.877 1.00 4.29 O ATOM 1609 CB TYR A 122 10.619 -3.355 -0.540 1.00 4.92 C ATOM 1610 CG TYR A 122 9.478 -2.386 -0.760 1.00 4.99 C ATOM 1611 CD1 TYR A 122 8.169 -2.743 -0.462 1.00 5.07 C ATOM 1612 CD2 TYR A 122 9.712 -1.110 -1.257 1.00 5.29 C ATOM 1613 CE1 TYR A 122 7.126 -1.858 -0.655 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.673 -0.218 -1.451 1.00 5.72 C ATOM 1615 CZ TYR A 122 7.383 -0.598 -1.149 1.00 5.83 C ATOM 1616 OH TYR A 122 6.347 0.287 -1.340 1.00 6.50 O ATOM 0 H TYR A 122 9.164 -5.280 0.174 1.00 3.41 H new ATOM 0 HA TYR A 122 9.893 -4.500 -2.228 1.00 4.05 H new ATOM 0 HB2 TYR A 122 10.682 -3.591 0.522 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.554 -2.867 -0.814 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.963 -3.729 -0.073 1.00 5.07 H new ATOM 0 HD2 TYR A 122 10.722 -0.810 -1.496 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.114 -2.153 -0.420 1.00 5.49 H new ATOM 0 HE2 TYR A 122 8.871 0.771 -1.837 1.00 5.72 H new ATOM 0 HH TYR A 122 5.503 -0.135 -1.076 1.00 6.50 H new ATOM 1626 N ASP A 123 12.563 -5.867 -0.906 1.00 4.20 N ATOM 1627 CA ASP A 123 13.902 -6.369 -1.209 1.00 4.65 C ATOM 1628 C ASP A 123 13.847 -7.623 -2.085 1.00 4.02 C ATOM 1629 O ASP A 123 14.590 -8.579 -1.858 1.00 4.67 O ATOM 1630 CB ASP A 123 14.655 -6.674 0.089 1.00 5.43 C ATOM 1631 CG ASP A 123 16.155 -6.504 -0.060 1.00 6.23 C ATOM 1632 OD1 ASP A 123 16.716 -7.023 -1.048 1.00 6.57 O ATOM 1633 OD2 ASP A 123 16.768 -5.852 0.811 1.00 6.82 O ATOM 0 H ASP A 123 12.210 -6.137 0.012 1.00 4.20 H new ATOM 0 HA ASP A 123 14.431 -5.594 -1.763 1.00 4.65 H new ATOM 0 HB2 ASP A 123 14.294 -6.015 0.879 1.00 5.43 H new ATOM 0 HB3 ASP A 123 14.437 -7.695 0.401 1.00 5.43 H new ATOM 1638 N HIS A 124 12.968 -7.616 -3.086 1.00 2.97 N ATOM 1639 CA HIS A 124 12.824 -8.753 -3.993 1.00 2.45 C ATOM 1640 C HIS A 124 14.177 -9.176 -4.563 1.00 2.10 C ATOM 1641 O HIS A 124 14.786 -10.139 -4.099 1.00 2.45 O ATOM 1642 CB HIS A 124 11.870 -8.398 -5.136 1.00 2.23 C ATOM 1643 CG HIS A 124 10.424 -8.625 -4.816 1.00 2.36 C ATOM 1644 ND1 HIS A 124 9.398 -8.104 -5.576 1.00 2.46 N ATOM 1645 CD2 HIS A 124 9.833 -9.322 -3.816 1.00 2.98 C ATOM 1646 CE1 HIS A 124 8.239 -8.470 -5.059 1.00 2.83 C ATOM 1647 NE2 HIS A 124 8.474 -9.209 -3.991 1.00 3.06 N ATOM 0 H HIS A 124 12.344 -6.835 -3.289 1.00 2.97 H new ATOM 0 HA HIS A 124 12.413 -9.587 -3.425 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.012 -7.351 -5.402 1.00 2.23 H new ATOM 0 HB3 HIS A 124 12.134 -8.989 -6.013 1.00 2.23 H new ATOM 0 HD1 HIS A 124 9.516 -7.526 -6.408 1.00 2.46 H new ATOM 0 HD2 HIS A 124 10.335 -9.865 -3.029 1.00 2.98 H new ATOM 0 HE1 HIS A 124 7.265 -8.209 -5.445 1.00 2.83 H new ATOM 1656 N ILE A 125 14.639 -8.444 -5.574 1.00 1.91 N ATOM 1657 CA ILE A 125 15.918 -8.734 -6.214 1.00 2.11 C ATOM 1658 C ILE A 125 16.905 -7.595 -5.987 1.00 2.10 C ATOM 1659 O ILE A 125 16.517 -6.496 -5.588 1.00 1.90 O ATOM 1660 CB ILE A 125 15.759 -8.969 -7.733 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.601 -8.130 -8.288 1.00 2.52 C ATOM 1662 CG2 ILE A 125 15.546 -10.450 -8.021 1.00 2.86 C ATOM 1663 CD1 ILE A 125 14.304 -8.381 -9.751 1.00 3.27 C ATOM 0 H ILE A 125 14.144 -7.644 -5.968 1.00 1.91 H new ATOM 0 HA ILE A 125 16.300 -9.648 -5.759 1.00 2.11 H new ATOM 0 HB ILE A 125 16.675 -8.653 -8.233 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.704 -8.337 -7.705 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.833 -7.074 -8.151 1.00 2.52 H new ATOM 0 HG21 ILE A 125 15.436 -10.600 -9.095 1.00 2.86 H new ATOM 0 HG22 ILE A 125 16.404 -11.018 -7.662 1.00 2.86 H new ATOM 0 HG23 ILE A 125 14.645 -10.794 -7.512 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.473 -7.750 -10.067 1.00 3.27 H new ATOM 0 HD12 ILE A 125 15.186 -8.145 -10.347 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.039 -9.429 -9.894 1.00 3.27 H new ATOM 1667 N GLU A 126 18.181 -7.862 -6.241 1.00 2.54 N ATOM 1668 CA GLU A 126 19.221 -6.855 -6.059 1.00 2.75 C ATOM 1669 C GLU A 126 19.822 -6.422 -7.397 1.00 2.70 C ATOM 1670 O GLU A 126 20.739 -5.601 -7.434 1.00 2.83 O ATOM 1671 CB GLU A 126 20.323 -7.392 -5.144 1.00 3.67 C ATOM 1672 CG GLU A 126 21.069 -8.582 -5.725 1.00 4.39 C ATOM 1673 CD GLU A 126 21.633 -9.496 -4.655 1.00 5.41 C ATOM 1674 OE1 GLU A 126 20.854 -9.944 -3.786 1.00 5.87 O ATOM 1675 OE2 GLU A 126 22.853 -9.762 -4.684 1.00 6.01 O ATOM 0 H GLU A 126 18.520 -8.765 -6.573 1.00 2.54 H new ATOM 0 HA GLU A 126 18.760 -5.982 -5.597 1.00 2.75 H new ATOM 0 HB2 GLU A 126 21.035 -6.593 -4.938 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.883 -7.680 -4.189 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.395 -9.151 -6.365 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.882 -8.223 -6.357 1.00 4.39 H new ATOM 1682 N ASP A 127 19.308 -6.977 -8.492 1.00 2.79 N ATOM 1683 CA ASP A 127 19.808 -6.640 -9.820 1.00 3.14 C ATOM 1684 C ASP A 127 19.067 -5.442 -10.415 1.00 2.88 C ATOM 1685 O ASP A 127 19.641 -4.364 -10.575 1.00 3.08 O ATOM 1686 CB ASP A 127 19.682 -7.846 -10.752 1.00 3.66 C ATOM 1687 CG ASP A 127 21.001 -8.569 -10.942 1.00 4.67 C ATOM 1688 OD1 ASP A 127 21.422 -9.291 -10.013 1.00 5.15 O ATOM 1689 OD2 ASP A 127 21.614 -8.414 -12.020 1.00 5.29 O ATOM 0 H ASP A 127 18.549 -7.659 -8.485 1.00 2.79 H new ATOM 0 HA ASP A 127 20.858 -6.367 -9.718 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.945 -8.540 -10.347 1.00 3.66 H new ATOM 0 HB3 ASP A 127 19.309 -7.515 -11.721 1.00 3.66 H new ATOM 1694 N ASP A 128 17.797 -5.643 -10.757 1.00 2.70 N ATOM 1695 CA ASP A 128 16.986 -4.584 -11.355 1.00 2.87 C ATOM 1696 C ASP A 128 16.127 -3.864 -10.319 1.00 2.37 C ATOM 1697 O ASP A 128 16.442 -2.750 -9.900 1.00 2.51 O ATOM 1698 CB ASP A 128 16.095 -5.163 -12.455 1.00 3.34 C ATOM 1699 CG ASP A 128 16.889 -5.623 -13.662 1.00 3.82 C ATOM 1700 OD1 ASP A 128 17.594 -6.648 -13.552 1.00 4.15 O ATOM 1701 OD2 ASP A 128 16.803 -4.961 -14.717 1.00 4.30 O ATOM 0 H ASP A 128 17.307 -6.529 -10.631 1.00 2.70 H new ATOM 0 HA ASP A 128 17.671 -3.852 -11.783 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.529 -6.004 -12.055 1.00 3.34 H new ATOM 0 HB3 ASP A 128 15.371 -4.410 -12.766 1.00 3.34 H new ATOM 1706 N GLU A 129 15.026 -4.502 -9.929 1.00 2.02 N ATOM 1707 CA GLU A 129 14.091 -3.927 -8.960 1.00 1.94 C ATOM 1708 C GLU A 129 14.806 -3.294 -7.765 1.00 1.62 C ATOM 1709 O GLU A 129 14.262 -2.406 -7.113 1.00 1.65 O ATOM 1710 CB GLU A 129 13.111 -4.995 -8.470 1.00 2.14 C ATOM 1711 CG GLU A 129 11.878 -4.420 -7.794 1.00 3.04 C ATOM 1712 CD GLU A 129 11.461 -5.210 -6.571 1.00 4.10 C ATOM 1713 OE1 GLU A 129 11.945 -4.891 -5.464 1.00 4.72 O ATOM 1714 OE2 GLU A 129 10.650 -6.148 -6.718 1.00 4.68 O ATOM 0 H GLU A 129 14.757 -5.424 -10.271 1.00 2.02 H new ATOM 0 HA GLU A 129 13.546 -3.135 -9.474 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.800 -5.607 -9.316 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.625 -5.655 -7.771 1.00 2.14 H new ATOM 0 HG2 GLU A 129 12.075 -3.388 -7.505 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.054 -4.400 -8.507 1.00 3.04 H new ATOM 1721 N ALA A 130 16.020 -3.755 -7.475 1.00 1.57 N ATOM 1722 CA ALA A 130 16.790 -3.225 -6.352 1.00 1.56 C ATOM 1723 C ALA A 130 16.770 -1.697 -6.321 1.00 1.41 C ATOM 1724 O ALA A 130 16.142 -1.094 -5.451 1.00 1.33 O ATOM 1725 CB ALA A 130 18.222 -3.729 -6.415 1.00 1.92 C ATOM 0 H ALA A 130 16.491 -4.492 -8.000 1.00 1.57 H new ATOM 0 HA ALA A 130 16.322 -3.580 -5.434 1.00 1.56 H new ATOM 0 HB1 ALA A 130 18.786 -3.328 -5.573 1.00 1.92 H new ATOM 0 HB2 ALA A 130 18.227 -4.818 -6.369 1.00 1.92 H new ATOM 0 HB3 ALA A 130 18.682 -3.403 -7.348 1.00 1.92 H new ATOM 1731 N GLU A 131 17.466 -1.080 -7.271 1.00 1.46 N ATOM 1732 CA GLU A 131 17.533 0.377 -7.348 1.00 1.46 C ATOM 1733 C GLU A 131 16.139 0.990 -7.436 1.00 1.38 C ATOM 1734 O GLU A 131 15.835 1.965 -6.747 1.00 1.37 O ATOM 1735 CB GLU A 131 18.366 0.804 -8.557 1.00 1.66 C ATOM 1736 CG GLU A 131 19.848 0.953 -8.253 1.00 1.92 C ATOM 1737 CD GLU A 131 20.500 -0.363 -7.878 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.654 -1.225 -8.769 1.00 3.30 O ATOM 1739 OE2 GLU A 131 20.856 -0.533 -6.693 1.00 2.84 O ATOM 0 H GLU A 131 17.992 -1.565 -7.998 1.00 1.46 H new ATOM 0 HA GLU A 131 18.008 0.739 -6.437 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.239 0.070 -9.353 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.984 1.753 -8.934 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.354 1.370 -9.124 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.978 1.664 -7.438 1.00 1.92 H new ATOM 1746 N GLU A 132 15.299 0.417 -8.290 1.00 1.44 N ATOM 1747 CA GLU A 132 13.937 0.910 -8.474 1.00 1.53 C ATOM 1748 C GLU A 132 13.175 0.926 -7.151 1.00 1.29 C ATOM 1749 O GLU A 132 12.756 1.982 -6.679 1.00 1.22 O ATOM 1750 CB GLU A 132 13.194 0.044 -9.493 1.00 1.86 C ATOM 1751 CG GLU A 132 13.336 0.536 -10.924 1.00 2.46 C ATOM 1752 CD GLU A 132 13.961 -0.498 -11.840 1.00 2.96 C ATOM 1753 OE1 GLU A 132 13.844 -1.705 -11.540 1.00 3.44 O ATOM 1754 OE2 GLU A 132 14.565 -0.100 -12.858 1.00 3.37 O ATOM 0 H GLU A 132 15.536 -0.390 -8.867 1.00 1.44 H new ATOM 0 HA GLU A 132 13.996 1.932 -8.848 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.567 -0.978 -9.430 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.136 0.014 -9.231 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.354 0.810 -11.309 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.945 1.440 -10.934 1.00 2.46 H new ATOM 1761 N MET A 133 12.997 -0.251 -6.562 1.00 1.28 N ATOM 1762 CA MET A 133 12.283 -0.373 -5.297 1.00 1.23 C ATOM 1763 C MET A 133 12.964 0.443 -4.204 1.00 0.98 C ATOM 1764 O MET A 133 12.328 1.260 -3.539 1.00 0.92 O ATOM 1765 CB MET A 133 12.197 -1.840 -4.875 1.00 1.53 C ATOM 1766 CG MET A 133 10.925 -2.178 -4.113 1.00 1.39 C ATOM 1767 SD MET A 133 9.570 -2.661 -5.201 1.00 2.20 S ATOM 1768 CE MET A 133 8.509 -3.528 -4.048 1.00 2.47 C ATOM 0 H MET A 133 13.338 -1.135 -6.941 1.00 1.28 H new ATOM 0 HA MET A 133 11.275 0.017 -5.440 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.257 -2.469 -5.763 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.059 -2.082 -4.253 1.00 1.53 H new ATOM 0 HG2 MET A 133 11.130 -2.988 -3.413 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.620 -1.315 -3.521 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.583 -3.812 -4.549 1.00 2.47 H new ATOM 0 HE2 MET A 133 9.017 -4.423 -3.688 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.280 -2.877 -3.204 1.00 2.47 H new ATOM 1778 N GLU A 134 14.262 0.216 -4.021 1.00 1.00 N ATOM 1779 CA GLU A 134 15.029 0.932 -3.007 1.00 0.98 C ATOM 1780 C GLU A 134 14.840 2.440 -3.142 1.00 0.85 C ATOM 1781 O GLU A 134 14.393 3.107 -2.208 1.00 0.92 O ATOM 1782 CB GLU A 134 16.515 0.581 -3.117 1.00 1.17 C ATOM 1783 CG GLU A 134 17.302 0.856 -1.846 1.00 1.00 C ATOM 1784 CD GLU A 134 17.118 -0.227 -0.801 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.613 -1.352 -1.019 1.00 2.11 O ATOM 1786 OE2 GLU A 134 16.479 0.051 0.235 1.00 2.40 O ATOM 0 H GLU A 134 14.804 -0.458 -4.562 1.00 1.00 H new ATOM 0 HA GLU A 134 14.661 0.625 -2.028 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.612 -0.474 -3.373 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.954 1.150 -3.936 1.00 1.17 H new ATOM 0 HG2 GLU A 134 18.361 0.944 -2.090 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.990 1.814 -1.430 1.00 1.00 H new ATOM 1793 N SER A 135 15.176 2.970 -4.313 1.00 0.80 N ATOM 1794 CA SER A 135 15.038 4.398 -4.572 1.00 0.84 C ATOM 1795 C SER A 135 13.589 4.840 -4.396 1.00 0.80 C ATOM 1796 O SER A 135 13.312 5.860 -3.765 1.00 0.82 O ATOM 1797 CB SER A 135 15.517 4.732 -5.985 1.00 0.97 C ATOM 1798 OG SER A 135 16.908 4.495 -6.122 1.00 1.29 O ATOM 0 H SER A 135 15.546 2.433 -5.097 1.00 0.80 H new ATOM 0 HA SER A 135 15.656 4.935 -3.853 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.969 4.130 -6.710 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.299 5.776 -6.209 1.00 0.97 H new ATOM 0 HG SER A 135 17.057 3.561 -6.380 1.00 1.29 H new ATOM 1804 N LEU A 136 12.668 4.060 -4.954 1.00 0.81 N ATOM 1805 CA LEU A 136 11.245 4.364 -4.858 1.00 0.87 C ATOM 1806 C LEU A 136 10.808 4.452 -3.400 1.00 0.73 C ATOM 1807 O LEU A 136 10.306 5.484 -2.953 1.00 0.85 O ATOM 1808 CB LEU A 136 10.426 3.296 -5.588 1.00 0.98 C ATOM 1809 CG LEU A 136 8.933 3.605 -5.742 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.205 3.382 -4.426 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.727 5.031 -6.234 1.00 1.73 C ATOM 0 H LEU A 136 12.883 3.212 -5.478 1.00 0.81 H new ATOM 0 HA LEU A 136 11.069 5.331 -5.330 1.00 0.87 H new ATOM 0 HB2 LEU A 136 10.854 3.149 -6.580 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.531 2.352 -5.053 1.00 0.98 H new ATOM 0 HG LEU A 136 8.517 2.925 -6.485 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.146 3.606 -4.554 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.321 2.343 -4.117 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.625 4.037 -3.662 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.660 5.230 -6.337 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.159 5.729 -5.517 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.214 5.156 -7.201 1.00 1.73 H new ATOM 1817 N GLU A 137 11.006 3.365 -2.663 1.00 0.57 N ATOM 1818 CA GLU A 137 10.636 3.313 -1.252 1.00 0.51 C ATOM 1819 C GLU A 137 11.337 4.412 -0.464 1.00 0.52 C ATOM 1820 O GLU A 137 10.706 5.142 0.300 1.00 0.53 O ATOM 1821 CB GLU A 137 10.987 1.947 -0.661 1.00 0.52 C ATOM 1822 CG GLU A 137 10.262 1.638 0.639 1.00 1.16 C ATOM 1823 CD GLU A 137 11.179 1.690 1.846 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.393 1.444 1.681 1.00 2.54 O ATOM 1825 OE2 GLU A 137 10.683 1.976 2.956 1.00 2.45 O ATOM 0 H GLU A 137 11.422 2.505 -3.020 1.00 0.57 H new ATOM 0 HA GLU A 137 9.560 3.468 -1.180 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.750 1.173 -1.391 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.062 1.902 -0.487 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.448 2.350 0.775 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.811 0.648 0.573 1.00 1.16 H new ATOM 1832 N THR A 138 12.643 4.520 -0.656 1.00 0.57 N ATOM 1833 CA THR A 138 13.433 5.526 0.038 1.00 0.67 C ATOM 1834 C THR A 138 12.965 6.934 -0.318 1.00 0.69 C ATOM 1835 O THR A 138 13.094 7.860 0.483 1.00 0.77 O ATOM 1836 CB THR A 138 14.913 5.361 -0.312 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.418 4.143 0.206 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.779 6.479 0.220 1.00 1.10 C ATOM 0 H THR A 138 13.178 3.923 -1.287 1.00 0.57 H new ATOM 0 HA THR A 138 13.298 5.385 1.110 1.00 0.67 H new ATOM 0 HB THR A 138 14.957 5.375 -1.401 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.251 3.421 -0.435 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.817 6.302 -0.063 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.446 7.428 -0.199 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.700 6.515 1.307 1.00 1.10 H new ATOM 1843 N GLN A 139 12.434 7.095 -1.524 1.00 0.70 N ATOM 1844 CA GLN A 139 11.964 8.399 -1.979 1.00 0.79 C ATOM 1845 C GLN A 139 10.633 8.773 -1.332 1.00 0.67 C ATOM 1846 O GLN A 139 10.446 9.912 -0.903 1.00 0.67 O ATOM 1847 CB GLN A 139 11.828 8.416 -3.501 1.00 0.92 C ATOM 1848 CG GLN A 139 11.638 9.810 -4.076 1.00 1.04 C ATOM 1849 CD GLN A 139 11.911 9.867 -5.566 1.00 1.29 C ATOM 1850 OE1 GLN A 139 12.438 8.920 -6.149 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.552 10.983 -6.190 1.00 1.28 N ATOM 0 H GLN A 139 12.318 6.342 -2.203 1.00 0.70 H new ATOM 0 HA GLN A 139 12.705 9.139 -1.677 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.718 7.967 -3.943 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.981 7.794 -3.789 1.00 0.92 H new ATOM 0 HG2 GLN A 139 10.618 10.142 -3.884 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.302 10.505 -3.562 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.118 11.743 -5.666 1.00 1.28 H new ATOM 0 HE22 GLN A 139 11.710 11.080 -7.193 1.00 1.28 H new ATOM 1858 N ILE A 140 9.707 7.821 -1.263 1.00 0.60 N ATOM 1859 CA ILE A 140 8.401 8.086 -0.662 1.00 0.52 C ATOM 1860 C ILE A 140 8.492 8.071 0.861 1.00 0.47 C ATOM 1861 O ILE A 140 7.749 8.771 1.542 1.00 0.48 O ATOM 1862 CB ILE A 140 7.309 7.078 -1.109 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.718 6.346 -2.400 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.978 7.804 -1.280 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.556 5.955 -3.294 1.00 1.12 C ATOM 0 H ILE A 140 9.832 6.870 -1.611 1.00 0.60 H new ATOM 0 HA ILE A 140 8.108 9.075 -1.014 1.00 0.52 H new ATOM 0 HB ILE A 140 7.196 6.319 -0.335 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.397 6.984 -2.966 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.274 5.447 -2.133 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.214 7.093 -1.594 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.686 8.256 -0.332 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.082 8.582 -2.036 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.934 5.445 -4.180 1.00 1.12 H new ATOM 0 HD12 ILE A 140 5.886 5.289 -2.750 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.012 6.850 -3.595 1.00 1.12 H new ATOM 1869 N MET A 141 9.402 7.261 1.388 1.00 0.47 N ATOM 1870 CA MET A 141 9.589 7.157 2.830 1.00 0.51 C ATOM 1871 C MET A 141 10.561 8.218 3.348 1.00 0.62 C ATOM 1872 O MET A 141 10.224 9.005 4.232 1.00 0.71 O ATOM 1873 CB MET A 141 10.082 5.758 3.203 1.00 0.51 C ATOM 1874 CG MET A 141 9.006 4.688 3.093 1.00 0.53 C ATOM 1875 SD MET A 141 7.533 5.071 4.060 1.00 1.02 S ATOM 1876 CE MET A 141 6.529 5.898 2.827 1.00 0.44 C ATOM 0 H MET A 141 10.022 6.666 0.838 1.00 0.47 H new ATOM 0 HA MET A 141 8.623 7.331 3.304 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.917 5.491 2.555 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.463 5.776 4.224 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.726 4.568 2.046 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.415 3.734 3.425 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.481 5.643 2.981 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.657 6.977 2.918 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.838 5.578 1.832 1.00 0.44 H new ATOM 1886 N GLN A 142 11.777 8.224 2.807 1.00 0.66 N ATOM 1887 CA GLN A 142 12.798 9.178 3.232 1.00 0.79 C ATOM 1888 C GLN A 142 12.693 10.497 2.468 1.00 0.80 C ATOM 1889 O GLN A 142 13.011 11.559 3.002 1.00 0.85 O ATOM 1890 CB GLN A 142 14.194 8.581 3.046 1.00 0.90 C ATOM 1891 CG GLN A 142 14.288 7.115 3.441 1.00 1.34 C ATOM 1892 CD GLN A 142 15.719 6.616 3.491 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.062 5.616 2.859 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.562 7.310 4.246 1.00 1.85 N ATOM 0 H GLN A 142 12.079 7.581 2.075 1.00 0.66 H new ATOM 0 HA GLN A 142 12.630 9.387 4.289 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.489 8.687 2.002 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.907 9.155 3.638 1.00 0.90 H new ATOM 0 HG2 GLN A 142 13.824 6.975 4.417 1.00 1.34 H new ATOM 0 HG3 GLN A 142 13.722 6.514 2.730 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.234 8.133 4.752 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.537 7.021 4.320 1.00 1.85 H new ATOM 1901 N GLY A 143 12.255 10.425 1.215 1.00 0.79 N ATOM 1902 CA GLY A 143 12.130 11.624 0.403 1.00 0.84 C ATOM 1903 C GLY A 143 10.750 12.252 0.481 1.00 0.81 C ATOM 1904 O GLY A 143 10.335 12.965 -0.432 1.00 1.05 O ATOM 0 H GLY A 143 11.985 9.560 0.747 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.874 12.353 0.725 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.353 11.378 -0.635 1.00 0.84 H new ATOM 1908 N LEU A 144 10.035 11.984 1.569 1.00 0.75 N ATOM 1909 CA LEU A 144 8.692 12.524 1.755 1.00 0.72 C ATOM 1910 C LEU A 144 8.570 13.235 3.099 1.00 0.87 C ATOM 1911 O LEU A 144 7.988 14.316 3.191 1.00 1.01 O ATOM 1912 CB LEU A 144 7.663 11.396 1.663 1.00 0.62 C ATOM 1913 CG LEU A 144 6.196 11.823 1.728 1.00 0.66 C ATOM 1914 CD1 LEU A 144 5.799 12.135 3.159 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.938 13.019 0.824 1.00 0.81 C ATOM 0 H LEU A 144 10.363 11.396 2.335 1.00 0.75 H new ATOM 0 HA LEU A 144 8.502 13.253 0.967 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.824 10.859 0.728 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.852 10.691 2.472 1.00 0.62 H new ATOM 0 HG LEU A 144 5.583 10.995 1.372 1.00 0.66 H new ATOM 0 HD11 LEU A 144 4.752 12.437 3.188 1.00 0.58 H new ATOM 0 HD12 LEU A 144 5.938 11.248 3.777 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.421 12.944 3.541 1.00 0.58 H new ATOM 0 HD21 LEU A 144 4.888 13.303 0.888 1.00 0.81 H new ATOM 0 HD22 LEU A 144 6.561 13.856 1.141 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.181 12.756 -0.206 1.00 0.81 H new ATOM 1921 N GLY A 145 9.124 12.621 4.138 1.00 0.91 N ATOM 1922 CA GLY A 145 9.068 13.207 5.465 1.00 1.11 C ATOM 1923 C GLY A 145 8.077 12.503 6.372 1.00 1.11 C ATOM 1924 O GLY A 145 6.915 12.321 6.010 1.00 1.24 O ATOM 0 H GLY A 145 9.612 11.727 4.085 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.059 13.169 5.917 1.00 1.11 H new ATOM 0 HA3 GLY A 145 8.795 14.259 5.382 1.00 1.11 H new ATOM 1928 N PHE A 146 8.539 12.108 7.555 1.00 1.15 N ATOM 1929 CA PHE A 146 7.685 11.421 8.519 1.00 1.25 C ATOM 1930 C PHE A 146 8.138 11.707 9.947 1.00 1.47 C ATOM 1931 O PHE A 146 7.328 12.078 10.794 1.00 99.99 O ATOM 1932 CB PHE A 146 7.696 9.913 8.260 1.00 1.63 C ATOM 1933 CG PHE A 146 7.163 9.533 6.908 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.991 9.535 5.798 1.00 1.15 C ATOM 1935 CD2 PHE A 146 5.834 9.178 6.748 1.00 1.74 C ATOM 1936 CE1 PHE A 146 7.503 9.188 4.552 1.00 1.15 C ATOM 1937 CE2 PHE A 146 5.341 8.831 5.504 1.00 1.65 C ATOM 1938 CZ PHE A 146 6.176 8.836 4.405 1.00 0.93 C ATOM 0 H PHE A 146 9.499 12.252 7.869 1.00 1.15 H new ATOM 0 HA PHE A 146 6.669 11.795 8.397 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.717 9.543 8.356 1.00 1.63 H new ATOM 0 HB3 PHE A 146 7.103 9.416 9.028 1.00 1.63 H new ATOM 0 HD1 PHE A 146 9.030 9.811 5.907 1.00 1.15 H new ATOM 0 HD2 PHE A 146 5.176 9.172 7.604 1.00 1.74 H new ATOM 0 HE1 PHE A 146 8.159 9.192 3.694 1.00 1.15 H new ATOM 0 HE2 PHE A 146 4.303 8.556 5.392 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.792 8.565 3.432 1.00 0.93 H new TER 1948 PHE A 146