USER MOD reduce.3.24.130724 H: found=0, std=0, add=1411, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1411 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 173 HIS : no HD1:sc=-0.00349 K(o=-0.67,f=0.088) USER MOD Set 1.2: A 177 HIS : no HD1:sc= -0.665 K(o=-0.67,f=0.16) USER MOD Set 2.1: A 48 GLN : amide:sc= -2.33! K(o=-5!,f=0.75) USER MOD Set 2.2: A 157 ASN : amide:sc= -2.63! C(o=-5!,f=-5.6!) USER MOD Set 3.1: A 75 THR OG1 : rot 180:sc= 0.00829 USER MOD Set 3.2: A 78 THR OG1 : rot 70:sc= 1.35 USER MOD Set 4.1: A 73 HIS : no HD1:sc= -0.875 K(o=-0.87,f=-0.18) USER MOD Set 4.2: A 117 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0957) USER MOD Set 5.1: A 33 ASN : amide:sc= 0.866 K(o=2.5,f=0.57) USER MOD Set 5.2: A 35 THR OG1 : rot 41:sc= 1.65 USER MOD Set 6.1: A 5 ASN : amide:sc= 1.05 K(o=1.2,f=-6.4!) USER MOD Set 6.2: A 135 ASN : amide:sc= 0.129 K(o=1.2,f=-13!) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.306 (180deg=-2.09!) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.156 (180deg=-0.206) USER MOD Single : A 2 SER OG : rot -43:sc= 1.24 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 24:sc= 0.685 USER MOD Single : A 14 SER OG : rot 78:sc= 1.22 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00455) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.701 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.458 K(o=0.46,f=-0.047) USER MOD Single : A 28 SER OG : rot 157:sc= 0.873 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 43 SER OG : rot 146:sc= -1.6! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -81:sc= 0.243 USER MOD Single : A 69 THR OG1 : rot -90:sc= 1.24 USER MOD Single : A 70 SER OG : rot 69:sc= 0.344 USER MOD Single : A 71 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.00049) USER MOD Single : A 80 TYR OH : rot -133:sc= 0.937 USER MOD Single : A 81 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.011) USER MOD Single : A 82 SER OG : rot -160:sc= 0.0336 USER MOD Single : A 85 GLN : amide:sc= -4.4! K(o=-4.4!,f=-1.5) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 96 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.00051) USER MOD Single : A 105 SER OG : rot 2:sc= -0.0668 USER MOD Single : A 111 CYS SG : rot -79:sc= -0.892 USER MOD Single : A 114 SER OG : rot -88:sc= 1.23 USER MOD Single : A 119 MET CE :methyl -168:sc= -4.22 (180deg=-4.89) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 177:sc= -4.08! (180deg=-4.2!) USER MOD Single : A 132 THR OG1 : rot 70:sc= 0.984 USER MOD Single : A 133 TYR OH : rot -94:sc= -0.238 USER MOD Single : A 137 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.5!) USER MOD Single : A 143 GLN : amide:sc= 0.183 X(o=0.18,f=-0.18) USER MOD Single : A 145 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 150 THR OG1 : rot -173:sc= 0.995 USER MOD Single : A 155 TYR OH : rot 24:sc= 1.2 USER MOD Single : A 158 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 163 SER OG : rot 75:sc= 1.23 USER MOD Single : A 165 LYS NZ :NH3+ -167:sc= -0.035 (180deg=-0.231) USER MOD Single : A 167 GLN : amide:sc= -0.0477 K(o=-0.048,f=-0.59) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 181 HIS : no HD1:sc= -0.097 X(o=-0.097,f=-0.093) USER MOD Single : A 182 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.18) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.240 4.844 15.441 1.00 3.19 N ATOM 2 CA MET A 1 4.498 4.036 14.445 1.00 2.85 C ATOM 3 C MET A 1 5.445 3.462 13.395 1.00 2.27 C ATOM 4 O MET A 1 5.009 2.829 12.438 1.00 2.72 O ATOM 5 CB MET A 1 3.424 4.886 13.752 1.00 3.07 C ATOM 6 CG MET A 1 3.986 6.032 12.922 1.00 3.85 C ATOM 7 SD MET A 1 2.707 6.979 12.074 1.00 4.63 S ATOM 8 CE MET A 1 3.690 8.260 11.297 1.00 5.45 C ATOM 0 H1 MET A 1 4.567 5.293 16.095 1.00 3.19 H new ATOM 0 H2 MET A 1 5.885 4.228 15.977 1.00 3.19 H new ATOM 0 H3 MET A 1 5.790 5.579 14.952 1.00 3.19 H new ATOM 0 HA MET A 1 4.019 3.214 14.976 1.00 2.85 H new ATOM 0 HB2 MET A 1 2.825 4.243 13.107 1.00 3.07 H new ATOM 0 HB3 MET A 1 2.753 5.293 14.508 1.00 3.07 H new ATOM 0 HG2 MET A 1 4.554 6.699 13.570 1.00 3.85 H new ATOM 0 HG3 MET A 1 4.683 5.632 12.186 1.00 3.85 H new ATOM 0 HE1 MET A 1 3.141 9.202 11.316 1.00 5.45 H new ATOM 0 HE2 MET A 1 4.629 8.376 11.838 1.00 5.45 H new ATOM 0 HE3 MET A 1 3.898 7.982 10.264 1.00 5.45 H new ATOM 20 N SER A 2 6.741 3.666 13.587 1.00 1.75 N ATOM 21 CA SER A 2 7.729 3.257 12.602 1.00 1.66 C ATOM 22 C SER A 2 7.790 1.730 12.460 1.00 1.36 C ATOM 23 O SER A 2 8.101 1.211 11.386 1.00 1.24 O ATOM 24 CB SER A 2 9.098 3.825 12.980 1.00 2.18 C ATOM 25 OG SER A 2 9.049 5.244 13.079 1.00 2.93 O ATOM 0 H SER A 2 7.131 4.113 14.417 1.00 1.75 H new ATOM 0 HA SER A 2 7.432 3.656 11.632 1.00 1.66 H new ATOM 0 HB2 SER A 2 9.422 3.401 13.930 1.00 2.18 H new ATOM 0 HB3 SER A 2 9.836 3.534 12.233 1.00 2.18 H new ATOM 0 HG SER A 2 8.532 5.607 12.330 1.00 2.93 H new ATOM 31 N GLN A 3 7.463 1.011 13.528 1.00 1.37 N ATOM 32 CA GLN A 3 7.473 -0.447 13.479 1.00 1.24 C ATOM 33 C GLN A 3 6.236 -0.960 12.753 1.00 0.92 C ATOM 34 O GLN A 3 6.314 -1.895 11.954 1.00 0.86 O ATOM 35 CB GLN A 3 7.549 -1.040 14.888 1.00 1.49 C ATOM 36 CG GLN A 3 7.662 -2.557 14.904 1.00 1.69 C ATOM 37 CD GLN A 3 7.876 -3.116 16.297 1.00 2.43 C ATOM 38 OE1 GLN A 3 6.919 -3.424 17.010 1.00 3.10 O ATOM 39 NE2 GLN A 3 9.133 -3.248 16.696 1.00 2.97 N ATOM 0 H GLN A 3 7.191 1.407 14.428 1.00 1.37 H new ATOM 0 HA GLN A 3 8.359 -0.764 12.929 1.00 1.24 H new ATOM 0 HB2 GLN A 3 8.408 -0.614 15.407 1.00 1.49 H new ATOM 0 HB3 GLN A 3 6.661 -0.744 15.446 1.00 1.49 H new ATOM 0 HG2 GLN A 3 6.756 -2.989 14.480 1.00 1.69 H new ATOM 0 HG3 GLN A 3 8.490 -2.862 14.264 1.00 1.69 H new ATOM 0 HE21 GLN A 3 9.896 -2.981 16.074 1.00 2.97 H new ATOM 0 HE22 GLN A 3 9.337 -3.617 17.625 1.00 2.97 H new ATOM 48 N SER A 4 5.099 -0.326 13.007 1.00 0.88 N ATOM 49 CA SER A 4 3.859 -0.705 12.350 1.00 0.77 C ATOM 50 C SER A 4 3.867 -0.250 10.890 1.00 0.62 C ATOM 51 O SER A 4 3.116 -0.764 10.061 1.00 0.64 O ATOM 52 CB SER A 4 2.660 -0.134 13.112 1.00 1.02 C ATOM 53 OG SER A 4 2.900 1.205 13.511 1.00 1.34 O ATOM 0 H SER A 4 5.011 0.451 13.662 1.00 0.88 H new ATOM 0 HA SER A 4 3.771 -1.791 12.356 1.00 0.77 H new ATOM 0 HB2 SER A 4 1.771 -0.175 12.482 1.00 1.02 H new ATOM 0 HB3 SER A 4 2.457 -0.748 13.990 1.00 1.02 H new ATOM 0 HG SER A 4 3.570 1.607 12.920 1.00 1.34 H new ATOM 59 N ASN A 5 4.733 0.714 10.572 1.00 0.59 N ATOM 60 CA ASN A 5 4.946 1.113 9.182 1.00 0.55 C ATOM 61 C ASN A 5 5.603 -0.023 8.409 1.00 0.43 C ATOM 62 O ASN A 5 5.272 -0.274 7.251 1.00 0.44 O ATOM 63 CB ASN A 5 5.813 2.376 9.075 1.00 0.65 C ATOM 64 CG ASN A 5 5.098 3.631 9.544 1.00 0.94 C ATOM 65 OD1 ASN A 5 3.871 3.719 9.494 1.00 1.71 O ATOM 66 ND2 ASN A 5 5.861 4.623 9.984 1.00 0.67 N ATOM 0 H ASN A 5 5.293 1.228 11.252 1.00 0.59 H new ATOM 0 HA ASN A 5 3.970 1.339 8.753 1.00 0.55 H new ATOM 0 HB2 ASN A 5 6.719 2.239 9.666 1.00 0.65 H new ATOM 0 HB3 ASN A 5 6.125 2.509 8.039 1.00 0.65 H new ATOM 0 HD21 ASN A 5 5.434 5.495 10.295 1.00 0.67 H new ATOM 0 HD22 ASN A 5 6.875 4.513 10.011 1.00 0.67 H new ATOM 73 N ARG A 6 6.526 -0.726 9.066 1.00 0.41 N ATOM 74 CA ARG A 6 7.196 -1.865 8.456 1.00 0.41 C ATOM 75 C ARG A 6 6.195 -2.984 8.197 1.00 0.37 C ATOM 76 O ARG A 6 6.329 -3.741 7.236 1.00 0.38 O ATOM 77 CB ARG A 6 8.321 -2.380 9.360 1.00 0.54 C ATOM 78 CG ARG A 6 9.203 -3.429 8.694 1.00 0.65 C ATOM 79 CD ARG A 6 10.123 -4.109 9.694 1.00 0.83 C ATOM 80 NE ARG A 6 9.373 -4.896 10.671 1.00 1.50 N ATOM 81 CZ ARG A 6 9.920 -5.748 11.536 1.00 2.14 C ATOM 82 NH1 ARG A 6 11.235 -5.932 11.565 1.00 2.16 N ATOM 83 NH2 ARG A 6 9.138 -6.420 12.368 1.00 3.18 N ATOM 0 H ARG A 6 6.824 -0.523 10.020 1.00 0.41 H new ATOM 0 HA ARG A 6 7.628 -1.540 7.510 1.00 0.41 H new ATOM 0 HB2 ARG A 6 8.941 -1.539 9.670 1.00 0.54 H new ATOM 0 HB3 ARG A 6 7.884 -2.805 10.264 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.576 -4.177 8.210 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.800 -2.959 7.912 1.00 0.65 H new ATOM 0 HD2 ARG A 6 10.821 -4.757 9.164 1.00 0.83 H new ATOM 0 HD3 ARG A 6 10.717 -3.356 10.212 1.00 0.83 H new ATOM 0 HE ARG A 6 8.359 -4.785 10.692 1.00 1.50 H new ATOM 0 HH11 ARG A 6 11.836 -5.418 10.921 1.00 2.16 H new ATOM 0 HH12 ARG A 6 11.644 -6.587 12.232 1.00 2.16 H new ATOM 0 HH21 ARG A 6 8.128 -6.282 12.342 1.00 3.18 H new ATOM 0 HH22 ARG A 6 9.546 -7.075 13.035 1.00 3.18 H new ATOM 97 N GLU A 7 5.181 -3.071 9.055 1.00 0.36 N ATOM 98 CA GLU A 7 4.144 -4.089 8.918 1.00 0.37 C ATOM 99 C GLU A 7 3.386 -3.892 7.618 1.00 0.29 C ATOM 100 O GLU A 7 3.049 -4.856 6.933 1.00 0.29 O ATOM 101 CB GLU A 7 3.155 -4.033 10.084 1.00 0.46 C ATOM 102 CG GLU A 7 3.793 -4.201 11.451 1.00 0.60 C ATOM 103 CD GLU A 7 2.772 -4.503 12.525 1.00 1.39 C ATOM 104 OE1 GLU A 7 2.056 -3.579 12.955 1.00 2.00 O ATOM 105 OE2 GLU A 7 2.676 -5.680 12.931 1.00 1.58 O ATOM 0 H GLU A 7 5.056 -2.448 9.853 1.00 0.36 H new ATOM 0 HA GLU A 7 4.635 -5.062 8.919 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.631 -3.078 10.055 1.00 0.46 H new ATOM 0 HB3 GLU A 7 2.405 -4.812 9.947 1.00 0.46 H new ATOM 0 HG2 GLU A 7 4.526 -5.007 11.412 1.00 0.60 H new ATOM 0 HG3 GLU A 7 4.334 -3.291 11.712 1.00 0.60 H new ATOM 112 N LEU A 8 3.141 -2.632 7.282 1.00 0.27 N ATOM 113 CA LEU A 8 2.409 -2.288 6.074 1.00 0.28 C ATOM 114 C LEU A 8 3.175 -2.771 4.859 1.00 0.28 C ATOM 115 O LEU A 8 2.594 -3.251 3.890 1.00 0.39 O ATOM 116 CB LEU A 8 2.204 -0.775 5.993 1.00 0.31 C ATOM 117 CG LEU A 8 1.637 -0.130 7.251 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.507 1.369 7.058 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.297 -0.748 7.605 1.00 0.35 C ATOM 0 H LEU A 8 3.441 -1.829 7.834 1.00 0.27 H new ATOM 0 HA LEU A 8 1.433 -2.772 6.101 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.161 -0.306 5.763 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.535 -0.559 5.160 1.00 0.31 H new ATOM 0 HG LEU A 8 2.323 -0.311 8.079 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.101 1.819 7.964 1.00 0.36 H new ATOM 0 HD12 LEU A 8 2.488 1.796 6.850 1.00 0.36 H new ATOM 0 HD13 LEU A 8 0.839 1.571 6.221 1.00 0.36 H new ATOM 0 HD21 LEU A 8 -0.095 -0.276 8.506 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.402 -0.596 6.783 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.424 -1.816 7.781 1.00 0.35 H new ATOM 131 N VAL A 9 4.490 -2.644 4.934 1.00 0.26 N ATOM 132 CA VAL A 9 5.371 -3.125 3.891 1.00 0.28 C ATOM 133 C VAL A 9 5.341 -4.648 3.838 1.00 0.29 C ATOM 134 O VAL A 9 4.898 -5.233 2.853 1.00 0.31 O ATOM 135 CB VAL A 9 6.816 -2.656 4.143 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.756 -3.221 3.094 1.00 0.38 C ATOM 137 CG2 VAL A 9 6.886 -1.139 4.165 1.00 0.31 C ATOM 0 H VAL A 9 4.972 -2.205 5.719 1.00 0.26 H new ATOM 0 HA VAL A 9 5.024 -2.720 2.941 1.00 0.28 H new ATOM 0 HB VAL A 9 7.132 -3.029 5.117 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.771 -2.877 3.292 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.729 -4.310 3.130 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.444 -2.883 2.106 1.00 0.38 H new ATOM 0 HG21 VAL A 9 7.914 -0.825 4.344 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.548 -0.745 3.206 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.246 -0.757 4.960 1.00 0.31 H new ATOM 147 N VAL A 10 5.801 -5.272 4.917 1.00 0.30 N ATOM 148 CA VAL A 10 5.943 -6.721 4.983 1.00 0.32 C ATOM 149 C VAL A 10 4.647 -7.442 4.620 1.00 0.35 C ATOM 150 O VAL A 10 4.648 -8.326 3.760 1.00 0.36 O ATOM 151 CB VAL A 10 6.400 -7.164 6.385 1.00 0.37 C ATOM 152 CG1 VAL A 10 6.456 -8.675 6.476 1.00 0.42 C ATOM 153 CG2 VAL A 10 7.757 -6.564 6.717 1.00 0.38 C ATOM 0 H VAL A 10 6.085 -4.788 5.769 1.00 0.30 H new ATOM 0 HA VAL A 10 6.702 -6.995 4.250 1.00 0.32 H new ATOM 0 HB VAL A 10 5.673 -6.802 7.112 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.781 -8.968 7.474 1.00 0.42 H new ATOM 0 HG12 VAL A 10 5.466 -9.088 6.281 1.00 0.42 H new ATOM 0 HG13 VAL A 10 7.161 -9.058 5.738 1.00 0.42 H new ATOM 0 HG21 VAL A 10 8.064 -6.888 7.711 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.491 -6.897 5.984 1.00 0.38 H new ATOM 0 HG23 VAL A 10 7.689 -5.476 6.694 1.00 0.38 H new ATOM 163 N ASP A 11 3.548 -7.063 5.262 1.00 0.39 N ATOM 164 CA ASP A 11 2.268 -7.733 5.032 1.00 0.46 C ATOM 165 C ASP A 11 1.815 -7.551 3.586 1.00 0.44 C ATOM 166 O ASP A 11 1.216 -8.451 2.993 1.00 0.50 O ATOM 167 CB ASP A 11 1.191 -7.213 5.992 1.00 0.55 C ATOM 168 CG ASP A 11 -0.097 -8.013 5.908 1.00 0.71 C ATOM 169 OD1 ASP A 11 -0.202 -9.054 6.585 1.00 0.92 O ATOM 170 OD2 ASP A 11 -1.009 -7.608 5.153 1.00 0.84 O ATOM 0 H ASP A 11 3.514 -6.302 5.941 1.00 0.39 H new ATOM 0 HA ASP A 11 2.412 -8.796 5.223 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.571 -7.248 7.013 1.00 0.55 H new ATOM 0 HB3 ASP A 11 0.981 -6.168 5.766 1.00 0.55 H new ATOM 175 N PHE A 12 2.135 -6.397 3.008 1.00 0.41 N ATOM 176 CA PHE A 12 1.773 -6.117 1.622 1.00 0.42 C ATOM 177 C PHE A 12 2.617 -6.968 0.682 1.00 0.37 C ATOM 178 O PHE A 12 2.112 -7.504 -0.305 1.00 0.41 O ATOM 179 CB PHE A 12 1.959 -4.629 1.291 1.00 0.44 C ATOM 180 CG PHE A 12 1.291 -4.211 0.011 1.00 0.48 C ATOM 181 CD1 PHE A 12 -0.060 -3.897 -0.019 1.00 0.62 C ATOM 182 CD2 PHE A 12 2.019 -4.129 -1.164 1.00 0.46 C ATOM 183 CE1 PHE A 12 -0.668 -3.511 -1.200 1.00 0.68 C ATOM 184 CE2 PHE A 12 1.417 -3.744 -2.345 1.00 0.51 C ATOM 185 CZ PHE A 12 0.041 -3.439 -2.349 1.00 0.60 C ATOM 0 H PHE A 12 2.641 -5.644 3.474 1.00 0.41 H new ATOM 0 HA PHE A 12 0.720 -6.366 1.489 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.562 -4.030 2.111 1.00 0.44 H new ATOM 0 HB3 PHE A 12 3.025 -4.410 1.223 1.00 0.44 H new ATOM 0 HD1 PHE A 12 -0.643 -3.954 0.889 1.00 0.62 H new ATOM 0 HD2 PHE A 12 3.072 -4.369 -1.156 1.00 0.46 H new ATOM 0 HE1 PHE A 12 -1.720 -3.265 -1.204 1.00 0.68 H new ATOM 0 HE2 PHE A 12 1.994 -3.677 -3.256 1.00 0.51 H new ATOM 0 HZ PHE A 12 -0.446 -3.148 -3.268 1.00 0.60 H new ATOM 195 N LEU A 13 3.902 -7.106 1.004 1.00 0.33 N ATOM 196 CA LEU A 13 4.799 -7.920 0.195 1.00 0.32 C ATOM 197 C LEU A 13 4.378 -9.380 0.283 1.00 0.33 C ATOM 198 O LEU A 13 4.342 -10.090 -0.720 1.00 0.35 O ATOM 199 CB LEU A 13 6.254 -7.762 0.654 1.00 0.32 C ATOM 200 CG LEU A 13 6.734 -6.318 0.828 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.236 -6.275 1.043 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.341 -5.463 -0.365 1.00 0.38 C ATOM 0 H LEU A 13 4.340 -6.667 1.814 1.00 0.33 H new ATOM 0 HA LEU A 13 4.735 -7.583 -0.840 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.377 -8.285 1.603 1.00 0.32 H new ATOM 0 HB3 LEU A 13 6.901 -8.258 -0.069 1.00 0.32 H new ATOM 0 HG LEU A 13 6.246 -5.907 1.712 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.557 -5.240 1.164 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.492 -6.842 1.938 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.740 -6.712 0.181 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.695 -4.443 -0.214 1.00 0.38 H new ATOM 0 HD22 LEU A 13 6.790 -5.873 -1.270 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.256 -5.459 -0.468 1.00 0.38 H new ATOM 214 N SER A 14 4.024 -9.804 1.492 1.00 0.34 N ATOM 215 CA SER A 14 3.550 -11.162 1.727 1.00 0.38 C ATOM 216 C SER A 14 2.287 -11.433 0.912 1.00 0.39 C ATOM 217 O SER A 14 2.086 -12.534 0.400 1.00 0.41 O ATOM 218 CB SER A 14 3.263 -11.364 3.218 1.00 0.45 C ATOM 219 OG SER A 14 4.382 -10.997 4.011 1.00 1.14 O ATOM 0 H SER A 14 4.057 -9.222 2.329 1.00 0.34 H new ATOM 0 HA SER A 14 4.325 -11.862 1.414 1.00 0.38 H new ATOM 0 HB2 SER A 14 2.397 -10.769 3.508 1.00 0.45 H new ATOM 0 HB3 SER A 14 3.009 -12.408 3.404 1.00 0.45 H new ATOM 0 HG SER A 14 4.427 -10.021 4.082 1.00 1.14 H new ATOM 225 N TYR A 15 1.458 -10.404 0.777 1.00 0.42 N ATOM 226 CA TYR A 15 0.203 -10.506 0.046 1.00 0.47 C ATOM 227 C TYR A 15 0.465 -10.739 -1.440 1.00 0.45 C ATOM 228 O TYR A 15 -0.214 -11.540 -2.082 1.00 0.52 O ATOM 229 CB TYR A 15 -0.622 -9.231 0.253 1.00 0.55 C ATOM 230 CG TYR A 15 -1.951 -9.216 -0.473 1.00 0.66 C ATOM 231 CD1 TYR A 15 -3.044 -9.911 0.025 1.00 0.79 C ATOM 232 CD2 TYR A 15 -2.112 -8.493 -1.650 1.00 0.78 C ATOM 233 CE1 TYR A 15 -4.261 -9.888 -0.629 1.00 0.96 C ATOM 234 CE2 TYR A 15 -3.324 -8.468 -2.310 1.00 0.94 C ATOM 235 CZ TYR A 15 -4.395 -9.166 -1.796 1.00 1.02 C ATOM 236 OH TYR A 15 -5.606 -9.138 -2.447 1.00 1.20 O ATOM 0 H TYR A 15 1.637 -9.480 1.170 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.360 -11.358 0.428 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.804 -9.101 1.320 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.033 -8.375 -0.077 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.942 -10.479 0.938 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -1.275 -7.942 -2.054 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -5.103 -10.433 -0.228 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -3.432 -7.904 -3.225 1.00 0.94 H new ATOM 0 HH TYR A 15 -5.532 -8.584 -3.252 1.00 1.20 H new ATOM 246 N LYS A 16 1.462 -10.050 -1.978 1.00 0.40 N ATOM 247 CA LYS A 16 1.772 -10.167 -3.394 1.00 0.41 C ATOM 248 C LYS A 16 2.539 -11.453 -3.684 1.00 0.35 C ATOM 249 O LYS A 16 2.278 -12.121 -4.685 1.00 0.39 O ATOM 250 CB LYS A 16 2.553 -8.949 -3.890 1.00 0.49 C ATOM 251 CG LYS A 16 1.762 -7.650 -3.822 1.00 0.90 C ATOM 252 CD LYS A 16 0.361 -7.820 -4.393 1.00 0.83 C ATOM 253 CE LYS A 16 -0.362 -6.490 -4.530 1.00 1.35 C ATOM 254 NZ LYS A 16 0.099 -5.723 -5.717 1.00 1.39 N ATOM 0 H LYS A 16 2.064 -9.410 -1.460 1.00 0.40 H new ATOM 0 HA LYS A 16 0.827 -10.207 -3.936 1.00 0.41 H new ATOM 0 HB2 LYS A 16 3.461 -8.843 -3.296 1.00 0.49 H new ATOM 0 HB3 LYS A 16 2.864 -9.122 -4.920 1.00 0.49 H new ATOM 0 HG2 LYS A 16 1.696 -7.317 -2.786 1.00 0.90 H new ATOM 0 HG3 LYS A 16 2.289 -6.872 -4.374 1.00 0.90 H new ATOM 0 HD2 LYS A 16 0.423 -8.301 -5.369 1.00 0.83 H new ATOM 0 HD3 LYS A 16 -0.216 -8.482 -3.747 1.00 0.83 H new ATOM 0 HE2 LYS A 16 -1.435 -6.667 -4.608 1.00 1.35 H new ATOM 0 HE3 LYS A 16 -0.201 -5.896 -3.630 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 -0.420 -4.823 -5.772 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 1.117 -5.531 -5.632 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 -0.078 -6.278 -6.579 1.00 1.39 H new ATOM 268 N LEU A 17 3.476 -11.797 -2.808 1.00 0.30 N ATOM 269 CA LEU A 17 4.212 -13.050 -2.924 1.00 0.27 C ATOM 270 C LEU A 17 3.266 -14.245 -2.857 1.00 0.31 C ATOM 271 O LEU A 17 3.402 -15.195 -3.628 1.00 0.32 O ATOM 272 CB LEU A 17 5.261 -13.149 -1.817 1.00 0.25 C ATOM 273 CG LEU A 17 6.431 -12.184 -1.959 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.236 -12.136 -0.675 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.315 -12.594 -3.121 1.00 0.25 C ATOM 0 H LEU A 17 3.744 -11.224 -2.008 1.00 0.30 H new ATOM 0 HA LEU A 17 4.713 -13.063 -3.892 1.00 0.27 H new ATOM 0 HB2 LEU A 17 4.775 -12.970 -0.858 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.649 -14.167 -1.793 1.00 0.25 H new ATOM 0 HG LEU A 17 6.036 -11.188 -2.158 1.00 0.24 H new ATOM 0 HD11 LEU A 17 8.068 -11.442 -0.793 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.597 -11.801 0.142 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.622 -13.130 -0.450 1.00 0.29 H new ATOM 0 HD21 LEU A 17 8.147 -11.895 -3.210 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.702 -13.598 -2.947 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.733 -12.584 -4.042 1.00 0.25 H new ATOM 287 N SER A 18 2.298 -14.179 -1.950 1.00 0.37 N ATOM 288 CA SER A 18 1.318 -15.250 -1.791 1.00 0.44 C ATOM 289 C SER A 18 0.488 -15.404 -3.066 1.00 0.47 C ATOM 290 O SER A 18 0.126 -16.515 -3.455 1.00 0.51 O ATOM 291 CB SER A 18 0.408 -14.968 -0.584 1.00 0.54 C ATOM 292 OG SER A 18 -0.555 -15.994 -0.405 1.00 1.26 O ATOM 0 H SER A 18 2.170 -13.394 -1.312 1.00 0.37 H new ATOM 0 HA SER A 18 1.849 -16.185 -1.610 1.00 0.44 H new ATOM 0 HB2 SER A 18 1.015 -14.877 0.317 1.00 0.54 H new ATOM 0 HB3 SER A 18 -0.099 -14.013 -0.725 1.00 0.54 H new ATOM 0 HG SER A 18 -1.116 -15.785 0.371 1.00 1.26 H new ATOM 298 N GLN A 19 0.221 -14.285 -3.732 1.00 0.48 N ATOM 299 CA GLN A 19 -0.555 -14.282 -4.965 1.00 0.53 C ATOM 300 C GLN A 19 0.278 -14.847 -6.117 1.00 0.48 C ATOM 301 O GLN A 19 -0.256 -15.361 -7.104 1.00 0.55 O ATOM 302 CB GLN A 19 -1.022 -12.855 -5.269 1.00 0.59 C ATOM 303 CG GLN A 19 -1.861 -12.718 -6.528 1.00 0.71 C ATOM 304 CD GLN A 19 -2.431 -11.322 -6.686 1.00 1.06 C ATOM 305 OE1 GLN A 19 -3.538 -11.035 -6.226 1.00 1.72 O ATOM 306 NE2 GLN A 19 -1.680 -10.436 -7.322 1.00 1.65 N ATOM 0 H GLN A 19 0.534 -13.361 -3.434 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.432 -14.918 -4.846 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.600 -12.488 -4.421 1.00 0.59 H new ATOM 0 HB3 GLN A 19 -0.147 -12.212 -5.360 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.250 -12.960 -7.398 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.676 -13.441 -6.500 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -0.769 -10.710 -7.689 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -2.013 -9.480 -7.444 1.00 1.65 H new ATOM 315 N LYS A 20 1.593 -14.758 -5.974 1.00 0.41 N ATOM 316 CA LYS A 20 2.518 -15.312 -6.953 1.00 0.40 C ATOM 317 C LYS A 20 2.832 -16.774 -6.643 1.00 0.44 C ATOM 318 O LYS A 20 3.580 -17.424 -7.372 1.00 0.48 O ATOM 319 CB LYS A 20 3.809 -14.493 -6.979 1.00 0.36 C ATOM 320 CG LYS A 20 3.650 -13.105 -7.583 1.00 0.68 C ATOM 321 CD LYS A 20 3.523 -13.167 -9.101 1.00 0.61 C ATOM 322 CE LYS A 20 3.449 -11.779 -9.730 1.00 1.06 C ATOM 323 NZ LYS A 20 2.197 -11.060 -9.378 1.00 1.87 N ATOM 0 H LYS A 20 2.046 -14.303 -5.182 1.00 0.41 H new ATOM 0 HA LYS A 20 2.044 -15.265 -7.933 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.185 -14.394 -5.961 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.563 -15.040 -7.545 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.767 -12.623 -7.162 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.508 -12.489 -7.314 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.376 -13.706 -9.514 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.630 -13.732 -9.366 1.00 0.61 H new ATOM 0 HE2 LYS A 20 4.306 -11.190 -9.404 1.00 1.06 H new ATOM 0 HE3 LYS A 20 3.519 -11.871 -10.814 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 2.180 -10.137 -9.857 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 1.377 -11.623 -9.681 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 2.157 -10.917 -8.349 1.00 1.87 H new ATOM 337 N GLY A 21 2.260 -17.284 -5.558 1.00 0.48 N ATOM 338 CA GLY A 21 2.430 -18.686 -5.220 1.00 0.54 C ATOM 339 C GLY A 21 3.604 -18.955 -4.294 1.00 0.53 C ATOM 340 O GLY A 21 4.052 -20.097 -4.176 1.00 0.67 O ATOM 0 H GLY A 21 1.682 -16.753 -4.907 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.517 -19.050 -4.749 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.565 -19.258 -6.138 1.00 0.54 H new ATOM 344 N TYR A 22 4.116 -17.920 -3.640 1.00 0.43 N ATOM 345 CA TYR A 22 5.206 -18.098 -2.686 1.00 0.42 C ATOM 346 C TYR A 22 4.753 -17.700 -1.286 1.00 0.43 C ATOM 347 O TYR A 22 3.805 -16.935 -1.129 1.00 0.46 O ATOM 348 CB TYR A 22 6.434 -17.275 -3.097 1.00 0.40 C ATOM 349 CG TYR A 22 6.964 -17.615 -4.474 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.233 -18.931 -4.824 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.198 -16.626 -5.423 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.719 -19.253 -6.075 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.688 -16.941 -6.676 1.00 0.57 C ATOM 354 CZ TYR A 22 7.930 -18.228 -7.009 1.00 0.69 C ATOM 355 OH TYR A 22 8.438 -18.568 -8.243 1.00 0.81 O ATOM 0 H TYR A 22 3.799 -16.957 -3.750 1.00 0.43 H new ATOM 0 HA TYR A 22 5.485 -19.152 -2.682 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.177 -16.216 -3.068 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.226 -17.431 -2.364 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.059 -19.717 -4.104 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.993 -15.595 -5.177 1.00 0.47 H new ATOM 0 HE1 TYR A 22 7.934 -20.280 -6.331 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.878 -16.155 -7.392 1.00 0.57 H new ATOM 0 HH TYR A 22 8.533 -17.761 -8.791 1.00 0.81 H new ATOM 365 N SER A 23 5.425 -18.227 -0.277 1.00 0.45 N ATOM 366 CA SER A 23 5.081 -17.934 1.106 1.00 0.49 C ATOM 367 C SER A 23 6.161 -17.073 1.762 1.00 0.43 C ATOM 368 O SER A 23 7.350 -17.261 1.509 1.00 0.44 O ATOM 369 CB SER A 23 4.889 -19.243 1.877 1.00 0.59 C ATOM 370 OG SER A 23 5.982 -20.123 1.674 1.00 1.41 O ATOM 0 H SER A 23 6.215 -18.862 -0.389 1.00 0.45 H new ATOM 0 HA SER A 23 4.148 -17.371 1.127 1.00 0.49 H new ATOM 0 HB2 SER A 23 4.783 -19.029 2.941 1.00 0.59 H new ATOM 0 HB3 SER A 23 3.966 -19.725 1.556 1.00 0.59 H new ATOM 0 HG SER A 23 5.834 -20.950 2.179 1.00 1.41 H new ATOM 376 N TRP A 24 5.747 -16.146 2.618 1.00 0.43 N ATOM 377 CA TRP A 24 6.679 -15.219 3.253 1.00 0.41 C ATOM 378 C TRP A 24 7.447 -15.915 4.373 1.00 0.47 C ATOM 379 O TRP A 24 8.641 -15.674 4.567 1.00 0.53 O ATOM 380 CB TRP A 24 5.925 -13.996 3.796 1.00 0.44 C ATOM 381 CG TRP A 24 6.791 -13.034 4.557 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.844 -12.882 5.913 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.722 -12.087 4.010 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.749 -11.906 6.242 1.00 0.57 N ATOM 385 CE2 TRP A 24 8.301 -11.402 5.095 1.00 0.50 C ATOM 386 CE3 TRP A 24 8.123 -11.752 2.713 1.00 0.39 C ATOM 387 CZ2 TRP A 24 9.257 -10.406 4.922 1.00 0.51 C ATOM 388 CZ3 TRP A 24 9.073 -10.762 2.543 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.632 -10.099 3.643 1.00 0.48 C ATOM 0 H TRP A 24 4.772 -16.016 2.889 1.00 0.43 H new ATOM 0 HA TRP A 24 7.396 -14.881 2.505 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.460 -13.469 2.963 1.00 0.44 H new ATOM 0 HB3 TRP A 24 5.120 -14.338 4.447 1.00 0.44 H new ATOM 0 HD1 TRP A 24 6.259 -13.448 6.623 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.975 -11.604 7.190 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.698 -12.258 1.859 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.688 -9.893 5.769 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.389 -10.495 1.545 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.373 -9.331 3.478 1.00 0.48 H new ATOM 400 N SER A 25 6.761 -16.795 5.095 1.00 0.54 N ATOM 401 CA SER A 25 7.385 -17.567 6.168 1.00 0.63 C ATOM 402 C SER A 25 8.529 -18.434 5.633 1.00 0.63 C ATOM 403 O SER A 25 9.401 -18.863 6.384 1.00 0.75 O ATOM 404 CB SER A 25 6.337 -18.445 6.851 1.00 0.75 C ATOM 405 OG SER A 25 5.208 -17.676 7.235 1.00 1.20 O ATOM 0 H SER A 25 5.770 -16.993 4.957 1.00 0.54 H new ATOM 0 HA SER A 25 7.802 -16.869 6.894 1.00 0.63 H new ATOM 0 HB2 SER A 25 6.027 -19.242 6.175 1.00 0.75 H new ATOM 0 HB3 SER A 25 6.773 -18.923 7.728 1.00 0.75 H new ATOM 0 HG SER A 25 4.549 -18.257 7.669 1.00 1.20 H new ATOM 411 N GLN A 26 8.526 -18.669 4.324 1.00 0.61 N ATOM 412 CA GLN A 26 9.561 -19.465 3.683 1.00 0.73 C ATOM 413 C GLN A 26 10.893 -18.715 3.677 1.00 0.79 C ATOM 414 O GLN A 26 11.962 -19.326 3.739 1.00 0.93 O ATOM 415 CB GLN A 26 9.138 -19.812 2.247 1.00 0.80 C ATOM 416 CG GLN A 26 10.138 -20.672 1.479 1.00 1.25 C ATOM 417 CD GLN A 26 10.388 -22.014 2.143 1.00 1.53 C ATOM 418 OE1 GLN A 26 9.680 -22.984 1.881 1.00 1.91 O ATOM 419 NE2 GLN A 26 11.396 -22.088 2.997 1.00 2.26 N ATOM 0 H GLN A 26 7.813 -18.316 3.686 1.00 0.61 H new ATOM 0 HA GLN A 26 9.692 -20.388 4.248 1.00 0.73 H new ATOM 0 HB2 GLN A 26 8.181 -20.333 2.280 1.00 0.80 H new ATOM 0 HB3 GLN A 26 8.977 -18.885 1.696 1.00 0.80 H new ATOM 0 HG2 GLN A 26 9.768 -20.835 0.467 1.00 1.25 H new ATOM 0 HG3 GLN A 26 11.082 -20.134 1.391 1.00 1.25 H new ATOM 0 HE21 GLN A 26 11.962 -21.262 3.190 1.00 2.26 H new ATOM 0 HE22 GLN A 26 11.607 -22.971 3.462 1.00 2.26 H new ATOM 428 N PHE A 27 10.828 -17.389 3.640 1.00 0.76 N ATOM 429 CA PHE A 27 12.034 -16.578 3.514 1.00 0.92 C ATOM 430 C PHE A 27 12.379 -15.917 4.843 1.00 0.98 C ATOM 431 O PHE A 27 13.480 -15.394 5.022 1.00 1.18 O ATOM 432 CB PHE A 27 11.855 -15.518 2.419 1.00 0.99 C ATOM 433 CG PHE A 27 11.302 -16.078 1.138 1.00 0.97 C ATOM 434 CD1 PHE A 27 12.020 -17.009 0.405 1.00 1.07 C ATOM 435 CD2 PHE A 27 10.059 -15.680 0.672 1.00 0.93 C ATOM 436 CE1 PHE A 27 11.508 -17.534 -0.766 1.00 1.13 C ATOM 437 CE2 PHE A 27 9.544 -16.200 -0.500 1.00 0.96 C ATOM 438 CZ PHE A 27 10.269 -17.129 -1.219 1.00 1.05 C ATOM 0 H PHE A 27 9.960 -16.856 3.695 1.00 0.76 H new ATOM 0 HA PHE A 27 12.859 -17.232 3.232 1.00 0.92 H new ATOM 0 HB2 PHE A 27 11.188 -14.737 2.784 1.00 0.99 H new ATOM 0 HB3 PHE A 27 12.817 -15.047 2.217 1.00 0.99 H new ATOM 0 HD1 PHE A 27 12.991 -17.328 0.753 1.00 1.07 H new ATOM 0 HD2 PHE A 27 9.486 -14.955 1.231 1.00 0.93 H new ATOM 0 HE1 PHE A 27 12.077 -18.261 -1.326 1.00 1.13 H new ATOM 0 HE2 PHE A 27 8.575 -15.880 -0.853 1.00 0.96 H new ATOM 0 HZ PHE A 27 9.867 -17.538 -2.134 1.00 1.05 H new ATOM 448 N SER A 28 11.433 -15.939 5.770 1.00 0.93 N ATOM 449 CA SER A 28 11.653 -15.387 7.094 1.00 1.07 C ATOM 450 C SER A 28 11.950 -16.497 8.097 1.00 1.04 C ATOM 451 O SER A 28 11.790 -17.681 7.791 1.00 1.02 O ATOM 452 CB SER A 28 10.434 -14.578 7.533 1.00 1.21 C ATOM 453 OG SER A 28 10.213 -13.492 6.648 1.00 1.73 O ATOM 0 H SER A 28 10.504 -16.335 5.627 1.00 0.93 H new ATOM 0 HA SER A 28 12.518 -14.724 7.057 1.00 1.07 H new ATOM 0 HB2 SER A 28 9.554 -15.220 7.557 1.00 1.21 H new ATOM 0 HB3 SER A 28 10.584 -14.204 8.546 1.00 1.21 H new ATOM 0 HG SER A 28 9.274 -13.217 6.696 1.00 1.73 H new ATOM 459 N ASP A 29 12.382 -16.108 9.286 1.00 1.25 N ATOM 460 CA ASP A 29 12.722 -17.061 10.329 1.00 1.33 C ATOM 461 C ASP A 29 11.483 -17.409 11.147 1.00 1.40 C ATOM 462 O ASP A 29 10.998 -16.598 11.937 1.00 1.62 O ATOM 463 CB ASP A 29 13.813 -16.492 11.244 1.00 1.63 C ATOM 464 CG ASP A 29 15.080 -16.125 10.496 1.00 1.96 C ATOM 465 OD1 ASP A 29 15.917 -17.023 10.255 1.00 2.43 O ATOM 466 OD2 ASP A 29 15.245 -14.934 10.144 1.00 2.16 O ATOM 0 H ASP A 29 12.506 -15.131 9.553 1.00 1.25 H new ATOM 0 HA ASP A 29 13.102 -17.967 9.858 1.00 1.33 H new ATOM 0 HB2 ASP A 29 13.429 -15.608 11.753 1.00 1.63 H new ATOM 0 HB3 ASP A 29 14.052 -17.225 12.015 1.00 1.63 H new ATOM 471 N VAL A 30 10.965 -18.611 10.942 1.00 1.40 N ATOM 472 CA VAL A 30 9.768 -19.063 11.640 1.00 1.63 C ATOM 473 C VAL A 30 10.108 -19.506 13.059 1.00 1.66 C ATOM 474 O VAL A 30 9.752 -18.845 14.031 1.00 1.79 O ATOM 475 CB VAL A 30 9.104 -20.234 10.892 1.00 1.89 C ATOM 476 CG1 VAL A 30 7.795 -20.634 11.562 1.00 2.24 C ATOM 477 CG2 VAL A 30 8.873 -19.876 9.433 1.00 1.95 C ATOM 0 H VAL A 30 11.357 -19.295 10.295 1.00 1.40 H new ATOM 0 HA VAL A 30 9.073 -18.224 11.679 1.00 1.63 H new ATOM 0 HB VAL A 30 9.779 -21.089 10.932 1.00 1.89 H new ATOM 0 HG11 VAL A 30 7.345 -21.463 11.016 1.00 2.24 H new ATOM 0 HG12 VAL A 30 7.991 -20.941 12.589 1.00 2.24 H new ATOM 0 HG13 VAL A 30 7.111 -19.785 11.561 1.00 2.24 H new ATOM 0 HG21 VAL A 30 8.403 -20.716 8.922 1.00 1.95 H new ATOM 0 HG22 VAL A 30 8.222 -19.004 9.371 1.00 1.95 H new ATOM 0 HG23 VAL A 30 9.828 -19.651 8.958 1.00 1.95 H new ATOM 487 N GLU A 31 10.799 -20.631 13.168 1.00 1.67 N ATOM 488 CA GLU A 31 11.195 -21.170 14.462 1.00 1.83 C ATOM 489 C GLU A 31 12.574 -20.657 14.851 1.00 1.78 C ATOM 490 O GLU A 31 13.099 -20.982 15.915 1.00 1.99 O ATOM 491 CB GLU A 31 11.184 -22.698 14.420 1.00 2.07 C ATOM 492 CG GLU A 31 9.800 -23.286 14.204 1.00 2.55 C ATOM 493 CD GLU A 31 8.882 -23.073 15.390 1.00 2.93 C ATOM 494 OE1 GLU A 31 8.440 -21.923 15.614 1.00 3.42 O ATOM 495 OE2 GLU A 31 8.599 -24.055 16.107 1.00 3.27 O ATOM 0 H GLU A 31 11.099 -21.192 12.371 1.00 1.67 H new ATOM 0 HA GLU A 31 10.480 -20.837 15.214 1.00 1.83 H new ATOM 0 HB2 GLU A 31 11.843 -23.037 13.621 1.00 2.07 H new ATOM 0 HB3 GLU A 31 11.592 -23.083 15.355 1.00 2.07 H new ATOM 0 HG2 GLU A 31 9.353 -22.835 13.318 1.00 2.55 H new ATOM 0 HG3 GLU A 31 9.890 -24.354 14.007 1.00 2.55 H new ATOM 502 N GLU A 32 13.143 -19.840 13.977 1.00 1.61 N ATOM 503 CA GLU A 32 14.468 -19.274 14.190 1.00 1.65 C ATOM 504 C GLU A 32 14.349 -17.847 14.715 1.00 1.75 C ATOM 505 O GLU A 32 15.344 -17.133 14.855 1.00 2.00 O ATOM 506 CB GLU A 32 15.248 -19.277 12.874 1.00 1.54 C ATOM 507 CG GLU A 32 15.301 -20.635 12.194 1.00 1.79 C ATOM 508 CD GLU A 32 16.149 -21.633 12.948 1.00 2.33 C ATOM 509 OE1 GLU A 32 15.630 -22.268 13.889 1.00 3.01 O ATOM 510 OE2 GLU A 32 17.339 -21.785 12.615 1.00 2.57 O ATOM 0 H GLU A 32 12.702 -19.551 13.104 1.00 1.61 H new ATOM 0 HA GLU A 32 14.999 -19.879 14.925 1.00 1.65 H new ATOM 0 HB2 GLU A 32 14.794 -18.557 12.192 1.00 1.54 H new ATOM 0 HB3 GLU A 32 16.266 -18.937 13.065 1.00 1.54 H new ATOM 0 HG2 GLU A 32 14.289 -21.027 12.095 1.00 1.79 H new ATOM 0 HG3 GLU A 32 15.697 -20.516 11.186 1.00 1.79 H new ATOM 517 N ASN A 33 13.121 -17.447 15.006 1.00 1.77 N ATOM 518 CA ASN A 33 12.825 -16.083 15.422 1.00 2.01 C ATOM 519 C ASN A 33 11.473 -16.045 16.116 1.00 1.89 C ATOM 520 O ASN A 33 10.536 -16.715 15.687 1.00 2.13 O ATOM 521 CB ASN A 33 12.826 -15.153 14.199 1.00 2.35 C ATOM 522 CG ASN A 33 12.339 -13.749 14.509 1.00 3.05 C ATOM 523 OD1 ASN A 33 13.116 -12.889 14.919 1.00 3.61 O ATOM 524 ND2 ASN A 33 11.054 -13.501 14.294 1.00 3.58 N ATOM 0 H ASN A 33 12.304 -18.055 14.961 1.00 1.77 H new ATOM 0 HA ASN A 33 13.590 -15.741 16.119 1.00 2.01 H new ATOM 0 HB2 ASN A 33 13.837 -15.098 13.794 1.00 2.35 H new ATOM 0 HB3 ASN A 33 12.195 -15.585 13.423 1.00 2.35 H new ATOM 0 HD21 ASN A 33 10.678 -12.569 14.469 1.00 3.58 H new ATOM 0 HD22 ASN A 33 10.442 -14.242 13.953 1.00 3.58 H new ATOM 531 N ARG A 34 11.369 -15.282 17.194 1.00 1.88 N ATOM 532 CA ARG A 34 10.109 -15.168 17.905 1.00 1.96 C ATOM 533 C ARG A 34 9.765 -13.705 18.141 1.00 1.98 C ATOM 534 O ARG A 34 9.831 -13.207 19.265 1.00 2.34 O ATOM 535 CB ARG A 34 10.160 -15.926 19.235 1.00 2.42 C ATOM 536 CG ARG A 34 8.784 -16.206 19.823 1.00 2.86 C ATOM 537 CD ARG A 34 8.871 -16.949 21.146 1.00 3.54 C ATOM 538 NE ARG A 34 9.416 -16.112 22.213 1.00 3.97 N ATOM 539 CZ ARG A 34 10.234 -16.559 23.165 1.00 4.63 C ATOM 540 NH1 ARG A 34 10.660 -17.813 23.142 1.00 4.92 N ATOM 541 NH2 ARG A 34 10.643 -15.745 24.129 1.00 5.33 N ATOM 0 H ARG A 34 12.135 -14.738 17.591 1.00 1.88 H new ATOM 0 HA ARG A 34 9.329 -15.616 17.289 1.00 1.96 H new ATOM 0 HB2 ARG A 34 10.683 -16.871 19.087 1.00 2.42 H new ATOM 0 HB3 ARG A 34 10.743 -15.348 19.952 1.00 2.42 H new ATOM 0 HG2 ARG A 34 8.254 -15.265 19.970 1.00 2.86 H new ATOM 0 HG3 ARG A 34 8.200 -16.794 19.115 1.00 2.86 H new ATOM 0 HD2 ARG A 34 7.878 -17.298 21.431 1.00 3.54 H new ATOM 0 HD3 ARG A 34 9.497 -17.833 21.024 1.00 3.54 H new ATOM 0 HE ARG A 34 9.154 -15.126 22.230 1.00 3.97 H new ATOM 0 HH11 ARG A 34 10.362 -18.439 22.394 1.00 4.92 H new ATOM 0 HH12 ARG A 34 11.286 -18.152 23.872 1.00 4.92 H new ATOM 0 HH21 ARG A 34 10.331 -14.774 24.143 1.00 5.33 H new ATOM 0 HH22 ARG A 34 11.269 -16.090 24.856 1.00 5.33 H new ATOM 555 N THR A 35 9.439 -13.008 17.064 1.00 1.80 N ATOM 556 CA THR A 35 8.988 -11.630 17.159 1.00 1.96 C ATOM 557 C THR A 35 7.479 -11.573 16.976 1.00 1.86 C ATOM 558 O THR A 35 6.972 -11.666 15.855 1.00 2.02 O ATOM 559 CB THR A 35 9.677 -10.737 16.111 1.00 2.32 C ATOM 560 OG1 THR A 35 9.489 -11.281 14.797 1.00 2.88 O ATOM 561 CG2 THR A 35 11.163 -10.603 16.405 1.00 2.78 C ATOM 0 H THR A 35 9.479 -13.375 16.113 1.00 1.80 H new ATOM 0 HA THR A 35 9.255 -11.253 18.146 1.00 1.96 H new ATOM 0 HB THR A 35 9.224 -9.747 16.159 1.00 2.32 H new ATOM 0 HG1 THR A 35 8.572 -11.615 14.710 1.00 2.88 H new ATOM 0 HG21 THR A 35 11.627 -9.968 15.651 1.00 2.78 H new ATOM 0 HG22 THR A 35 11.300 -10.157 17.390 1.00 2.78 H new ATOM 0 HG23 THR A 35 11.628 -11.589 16.385 1.00 2.78 H new ATOM 569 N GLU A 36 6.767 -11.475 18.083 1.00 1.87 N ATOM 570 CA GLU A 36 5.315 -11.495 18.066 1.00 1.94 C ATOM 571 C GLU A 36 4.759 -10.209 17.471 1.00 1.78 C ATOM 572 O GLU A 36 5.072 -9.110 17.933 1.00 1.92 O ATOM 573 CB GLU A 36 4.778 -11.701 19.480 1.00 2.27 C ATOM 574 CG GLU A 36 5.265 -12.987 20.123 1.00 2.71 C ATOM 575 CD GLU A 36 4.822 -14.218 19.362 1.00 3.32 C ATOM 576 OE1 GLU A 36 5.539 -14.643 18.433 1.00 3.69 O ATOM 577 OE2 GLU A 36 3.751 -14.772 19.695 1.00 3.86 O ATOM 0 H GLU A 36 7.174 -11.380 19.013 1.00 1.87 H new ATOM 0 HA GLU A 36 4.991 -12.325 17.438 1.00 1.94 H new ATOM 0 HB2 GLU A 36 5.076 -10.856 20.101 1.00 2.27 H new ATOM 0 HB3 GLU A 36 3.688 -11.707 19.451 1.00 2.27 H new ATOM 0 HG2 GLU A 36 6.353 -12.971 20.181 1.00 2.71 H new ATOM 0 HG3 GLU A 36 4.892 -13.042 21.146 1.00 2.71 H new ATOM 584 N ALA A 37 3.947 -10.354 16.435 1.00 1.73 N ATOM 585 CA ALA A 37 3.325 -9.214 15.786 1.00 1.70 C ATOM 586 C ALA A 37 2.186 -8.671 16.642 1.00 1.55 C ATOM 587 O ALA A 37 1.280 -9.415 17.023 1.00 1.78 O ATOM 588 CB ALA A 37 2.820 -9.604 14.408 1.00 2.06 C ATOM 0 H ALA A 37 3.704 -11.256 16.025 1.00 1.73 H new ATOM 0 HA ALA A 37 4.071 -8.428 15.670 1.00 1.70 H new ATOM 0 HB1 ALA A 37 2.356 -8.740 13.933 1.00 2.06 H new ATOM 0 HB2 ALA A 37 3.655 -9.948 13.798 1.00 2.06 H new ATOM 0 HB3 ALA A 37 2.086 -10.404 14.503 1.00 2.06 H new ATOM 594 N PRO A 38 2.223 -7.373 16.972 1.00 1.53 N ATOM 595 CA PRO A 38 1.207 -6.734 17.799 1.00 1.68 C ATOM 596 C PRO A 38 0.018 -6.245 16.976 1.00 1.55 C ATOM 597 O PRO A 38 0.138 -6.000 15.774 1.00 1.51 O ATOM 598 CB PRO A 38 1.954 -5.545 18.425 1.00 2.02 C ATOM 599 CG PRO A 38 3.298 -5.479 17.754 1.00 2.11 C ATOM 600 CD PRO A 38 3.255 -6.413 16.575 1.00 1.77 C ATOM 0 HA PRO A 38 0.784 -7.421 18.532 1.00 1.68 H new ATOM 0 HB2 PRO A 38 1.401 -4.618 18.275 1.00 2.02 H new ATOM 0 HB3 PRO A 38 2.065 -5.680 19.501 1.00 2.02 H new ATOM 0 HG2 PRO A 38 3.517 -4.461 17.430 1.00 2.11 H new ATOM 0 HG3 PRO A 38 4.088 -5.770 18.446 1.00 2.11 H new ATOM 0 HD2 PRO A 38 2.993 -5.893 15.654 1.00 1.77 H new ATOM 0 HD3 PRO A 38 4.217 -6.897 16.405 1.00 1.77 H new ATOM 608 N GLU A 39 -1.127 -6.100 17.626 1.00 1.87 N ATOM 609 CA GLU A 39 -2.333 -5.636 16.951 1.00 1.91 C ATOM 610 C GLU A 39 -2.298 -4.119 16.813 1.00 1.53 C ATOM 611 O GLU A 39 -2.594 -3.393 17.764 1.00 1.78 O ATOM 612 CB GLU A 39 -3.603 -6.051 17.709 1.00 2.57 C ATOM 613 CG GLU A 39 -3.782 -7.555 17.877 1.00 3.24 C ATOM 614 CD GLU A 39 -2.830 -8.150 18.893 1.00 3.67 C ATOM 615 OE1 GLU A 39 -2.837 -7.706 20.059 1.00 4.19 O ATOM 616 OE2 GLU A 39 -2.068 -9.071 18.530 1.00 3.88 O ATOM 0 H GLU A 39 -1.248 -6.296 18.620 1.00 1.87 H new ATOM 0 HA GLU A 39 -2.360 -6.100 15.965 1.00 1.91 H new ATOM 0 HB2 GLU A 39 -3.588 -5.588 18.696 1.00 2.57 H new ATOM 0 HB3 GLU A 39 -4.470 -5.652 17.183 1.00 2.57 H new ATOM 0 HG2 GLU A 39 -4.808 -7.762 18.182 1.00 3.24 H new ATOM 0 HG3 GLU A 39 -3.631 -8.044 16.915 1.00 3.24 H new ATOM 623 N GLY A 40 -1.907 -3.643 15.641 1.00 1.33 N ATOM 624 CA GLY A 40 -1.830 -2.217 15.418 1.00 1.39 C ATOM 625 C GLY A 40 -3.152 -1.640 14.955 1.00 1.23 C ATOM 626 O GLY A 40 -3.661 -2.014 13.899 1.00 1.20 O ATOM 0 H GLY A 40 -1.642 -4.219 14.842 1.00 1.33 H new ATOM 0 HA2 GLY A 40 -1.522 -1.723 16.339 1.00 1.39 H new ATOM 0 HA3 GLY A 40 -1.063 -2.008 14.672 1.00 1.39 H new ATOM 630 N THR A 41 -3.709 -0.736 15.749 1.00 1.33 N ATOM 631 CA THR A 41 -4.974 -0.095 15.418 1.00 1.34 C ATOM 632 C THR A 41 -4.840 0.745 14.145 1.00 1.09 C ATOM 633 O THR A 41 -5.496 0.472 13.136 1.00 1.05 O ATOM 634 CB THR A 41 -5.435 0.802 16.582 1.00 1.62 C ATOM 635 OG1 THR A 41 -5.293 0.092 17.821 1.00 1.89 O ATOM 636 CG2 THR A 41 -6.884 1.231 16.403 1.00 1.79 C ATOM 0 H THR A 41 -3.302 -0.429 16.632 1.00 1.33 H new ATOM 0 HA THR A 41 -5.716 -0.875 15.247 1.00 1.34 H new ATOM 0 HB THR A 41 -4.812 1.696 16.593 1.00 1.62 H new ATOM 0 HG1 THR A 41 -5.585 0.664 18.561 1.00 1.89 H new ATOM 0 HG21 THR A 41 -7.182 1.863 17.239 1.00 1.79 H new ATOM 0 HG22 THR A 41 -6.986 1.789 15.472 1.00 1.79 H new ATOM 0 HG23 THR A 41 -7.523 0.349 16.369 1.00 1.79 H new ATOM 644 N GLU A 42 -3.984 1.761 14.202 1.00 1.02 N ATOM 645 CA GLU A 42 -3.751 2.649 13.067 1.00 0.87 C ATOM 646 C GLU A 42 -3.270 1.870 11.845 1.00 0.73 C ATOM 647 O GLU A 42 -3.775 2.061 10.736 1.00 0.63 O ATOM 648 CB GLU A 42 -2.720 3.717 13.445 1.00 1.05 C ATOM 649 CG GLU A 42 -2.340 4.641 12.302 1.00 1.53 C ATOM 650 CD GLU A 42 -1.264 5.626 12.704 1.00 2.12 C ATOM 651 OE1 GLU A 42 -0.109 5.200 12.899 1.00 2.82 O ATOM 652 OE2 GLU A 42 -1.573 6.827 12.849 1.00 2.42 O ATOM 0 H GLU A 42 -3.435 1.991 15.030 1.00 1.02 H new ATOM 0 HA GLU A 42 -4.696 3.129 12.812 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -3.116 4.315 14.266 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -1.821 3.224 13.815 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -1.991 4.048 11.457 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -3.223 5.185 11.967 1.00 1.53 H new ATOM 659 N SER A 43 -2.315 0.976 12.059 1.00 0.79 N ATOM 660 CA SER A 43 -1.707 0.229 10.968 1.00 0.75 C ATOM 661 C SER A 43 -2.717 -0.672 10.260 1.00 0.67 C ATOM 662 O SER A 43 -2.605 -0.901 9.059 1.00 0.62 O ATOM 663 CB SER A 43 -0.521 -0.586 11.480 1.00 0.94 C ATOM 664 OG SER A 43 -0.837 -1.230 12.701 1.00 1.14 O ATOM 0 H SER A 43 -1.944 0.750 12.982 1.00 0.79 H new ATOM 0 HA SER A 43 -1.349 0.950 10.233 1.00 0.75 H new ATOM 0 HB2 SER A 43 -0.238 -1.330 10.735 1.00 0.94 H new ATOM 0 HB3 SER A 43 0.340 0.067 11.622 1.00 0.94 H new ATOM 0 HG SER A 43 -0.379 -2.095 12.743 1.00 1.14 H new ATOM 670 N GLU A 44 -3.711 -1.162 10.988 1.00 0.72 N ATOM 671 CA GLU A 44 -4.738 -2.011 10.391 1.00 0.73 C ATOM 672 C GLU A 44 -5.574 -1.224 9.382 1.00 0.61 C ATOM 673 O GLU A 44 -6.040 -1.772 8.379 1.00 0.66 O ATOM 674 CB GLU A 44 -5.633 -2.615 11.476 1.00 0.85 C ATOM 675 CG GLU A 44 -6.687 -3.569 10.937 1.00 1.32 C ATOM 676 CD GLU A 44 -7.384 -4.345 12.033 1.00 1.96 C ATOM 677 OE1 GLU A 44 -6.890 -5.430 12.400 1.00 1.90 O ATOM 678 OE2 GLU A 44 -8.427 -3.873 12.537 1.00 2.98 O ATOM 0 H GLU A 44 -3.830 -0.989 11.986 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.242 -2.824 9.861 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -5.009 -3.145 12.195 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.128 -1.809 12.017 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -7.427 -3.004 10.370 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -6.219 -4.268 10.243 1.00 1.32 H new ATOM 685 N ALA A 45 -5.727 0.069 9.631 1.00 0.53 N ATOM 686 CA ALA A 45 -6.514 0.922 8.760 1.00 0.45 C ATOM 687 C ALA A 45 -5.747 1.229 7.483 1.00 0.39 C ATOM 688 O ALA A 45 -6.271 1.082 6.383 1.00 0.39 O ATOM 689 CB ALA A 45 -6.889 2.207 9.478 1.00 0.48 C ATOM 0 H ALA A 45 -5.315 0.548 10.431 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.430 0.395 8.493 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -7.479 2.837 8.812 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.474 1.970 10.367 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.983 2.738 9.771 1.00 0.48 H new ATOM 695 N VAL A 46 -4.497 1.641 7.638 1.00 0.36 N ATOM 696 CA VAL A 46 -3.650 1.959 6.496 1.00 0.32 C ATOM 697 C VAL A 46 -3.320 0.709 5.684 1.00 0.34 C ATOM 698 O VAL A 46 -3.235 0.761 4.459 1.00 0.35 O ATOM 699 CB VAL A 46 -2.356 2.680 6.926 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.785 2.076 8.191 1.00 0.34 C ATOM 701 CG2 VAL A 46 -1.330 2.638 5.812 1.00 0.34 C ATOM 0 H VAL A 46 -4.046 1.763 8.545 1.00 0.36 H new ATOM 0 HA VAL A 46 -4.217 2.640 5.861 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.607 3.720 7.133 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.874 2.606 8.468 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.514 2.162 8.997 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.555 1.024 8.021 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -0.424 3.151 6.133 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -1.095 1.601 5.573 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.733 3.132 4.928 1.00 0.34 H new ATOM 711 N LYS A 47 -3.149 -0.410 6.368 1.00 0.41 N ATOM 712 CA LYS A 47 -2.926 -1.686 5.695 1.00 0.50 C ATOM 713 C LYS A 47 -4.092 -1.986 4.755 1.00 0.51 C ATOM 714 O LYS A 47 -3.910 -2.537 3.670 1.00 0.59 O ATOM 715 CB LYS A 47 -2.767 -2.808 6.728 1.00 0.63 C ATOM 716 CG LYS A 47 -2.475 -4.175 6.129 1.00 0.84 C ATOM 717 CD LYS A 47 -2.166 -5.201 7.209 1.00 1.45 C ATOM 718 CE LYS A 47 -3.332 -5.380 8.171 1.00 1.93 C ATOM 719 NZ LYS A 47 -3.002 -6.320 9.273 1.00 2.14 N ATOM 0 H LYS A 47 -3.160 -0.465 7.386 1.00 0.41 H new ATOM 0 HA LYS A 47 -2.009 -1.625 5.109 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.960 -2.544 7.412 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.679 -2.872 7.321 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -3.332 -4.508 5.544 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -1.631 -4.101 5.444 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -1.929 -6.158 6.744 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -1.282 -4.889 7.764 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -3.609 -4.413 8.590 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -4.199 -5.751 7.625 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -3.822 -6.414 9.906 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -2.762 -7.251 8.875 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -2.190 -5.954 9.810 1.00 2.14 H new ATOM 733 N GLN A 48 -5.286 -1.590 5.175 1.00 0.47 N ATOM 734 CA GLN A 48 -6.473 -1.738 4.348 1.00 0.52 C ATOM 735 C GLN A 48 -6.499 -0.653 3.277 1.00 0.48 C ATOM 736 O GLN A 48 -6.878 -0.901 2.131 1.00 0.54 O ATOM 737 CB GLN A 48 -7.733 -1.657 5.209 1.00 0.55 C ATOM 738 CG GLN A 48 -9.020 -1.844 4.425 1.00 0.85 C ATOM 739 CD GLN A 48 -10.253 -1.801 5.302 1.00 1.50 C ATOM 740 OE1 GLN A 48 -10.280 -1.127 6.335 1.00 2.23 O ATOM 741 NE2 GLN A 48 -11.285 -2.525 4.899 1.00 2.02 N ATOM 0 H GLN A 48 -5.457 -1.163 6.085 1.00 0.47 H new ATOM 0 HA GLN A 48 -6.444 -2.714 3.864 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.679 -2.417 5.989 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.760 -0.689 5.709 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.093 -1.066 3.665 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -8.985 -2.799 3.901 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -11.222 -3.069 4.038 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -12.144 -2.539 5.449 1.00 2.02 H new ATOM 750 N ALA A 49 -6.078 0.546 3.664 1.00 0.42 N ATOM 751 CA ALA A 49 -6.015 1.678 2.753 1.00 0.40 C ATOM 752 C ALA A 49 -5.127 1.362 1.557 1.00 0.39 C ATOM 753 O ALA A 49 -5.521 1.573 0.415 1.00 0.42 O ATOM 754 CB ALA A 49 -5.499 2.905 3.483 1.00 0.36 C ATOM 0 H ALA A 49 -5.773 0.758 4.614 1.00 0.42 H new ATOM 0 HA ALA A 49 -7.021 1.881 2.385 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.455 3.747 2.793 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -6.169 3.146 4.308 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.501 2.704 3.873 1.00 0.36 H new ATOM 760 N LEU A 50 -3.935 0.838 1.829 1.00 0.38 N ATOM 761 CA LEU A 50 -2.998 0.467 0.769 1.00 0.39 C ATOM 762 C LEU A 50 -3.527 -0.707 -0.045 1.00 0.46 C ATOM 763 O LEU A 50 -3.164 -0.879 -1.205 1.00 0.49 O ATOM 764 CB LEU A 50 -1.617 0.115 1.338 1.00 0.39 C ATOM 765 CG LEU A 50 -0.629 1.283 1.460 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.389 1.930 0.105 1.00 0.31 C ATOM 767 CD2 LEU A 50 -1.123 2.315 2.455 1.00 0.29 C ATOM 0 H LEU A 50 -3.594 0.660 2.774 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.896 1.334 0.117 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.753 -0.326 2.325 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -1.169 -0.651 0.706 1.00 0.39 H new ATOM 0 HG LEU A 50 0.316 0.881 1.826 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.314 2.755 0.215 1.00 0.31 H new ATOM 0 HD12 LEU A 50 0.023 1.192 -0.583 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.332 2.307 -0.290 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.403 3.131 2.521 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.086 2.706 2.126 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.236 1.851 3.435 1.00 0.29 H new ATOM 779 N ARG A 51 -4.385 -1.511 0.563 1.00 0.52 N ATOM 780 CA ARG A 51 -4.974 -2.654 -0.124 1.00 0.61 C ATOM 781 C ARG A 51 -6.004 -2.182 -1.147 1.00 0.62 C ATOM 782 O ARG A 51 -6.120 -2.744 -2.236 1.00 0.69 O ATOM 783 CB ARG A 51 -5.608 -3.603 0.893 1.00 0.67 C ATOM 784 CG ARG A 51 -6.147 -4.889 0.291 1.00 0.98 C ATOM 785 CD ARG A 51 -6.375 -5.934 1.368 1.00 1.49 C ATOM 786 NE ARG A 51 -5.130 -6.263 2.059 1.00 2.00 N ATOM 787 CZ ARG A 51 -5.046 -6.588 3.347 1.00 2.89 C ATOM 788 NH1 ARG A 51 -6.135 -6.649 4.104 1.00 3.39 N ATOM 789 NH2 ARG A 51 -3.864 -6.857 3.881 1.00 3.74 N ATOM 0 H ARG A 51 -4.690 -1.395 1.529 1.00 0.52 H new ATOM 0 HA ARG A 51 -4.191 -3.194 -0.657 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -4.866 -3.853 1.652 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -6.421 -3.084 1.401 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -7.083 -4.688 -0.230 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -5.445 -5.271 -0.450 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -7.106 -5.565 2.087 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -6.795 -6.835 0.921 1.00 1.49 H new ATOM 0 HE ARG A 51 -4.266 -6.242 1.517 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -7.049 -6.446 3.700 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -6.057 -6.899 5.090 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -3.023 -6.815 3.306 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -3.795 -7.106 4.868 1.00 3.74 H new ATOM 803 N GLU A 52 -6.745 -1.142 -0.793 1.00 0.59 N ATOM 804 CA GLU A 52 -7.679 -0.523 -1.726 1.00 0.62 C ATOM 805 C GLU A 52 -6.930 0.371 -2.711 1.00 0.59 C ATOM 806 O GLU A 52 -7.270 0.438 -3.894 1.00 0.65 O ATOM 807 CB GLU A 52 -8.734 0.290 -0.969 1.00 0.66 C ATOM 808 CG GLU A 52 -9.700 -0.560 -0.156 1.00 0.92 C ATOM 809 CD GLU A 52 -10.584 -1.429 -1.026 1.00 1.23 C ATOM 810 OE1 GLU A 52 -11.612 -0.921 -1.525 1.00 1.45 O ATOM 811 OE2 GLU A 52 -10.261 -2.620 -1.217 1.00 1.88 O ATOM 0 H GLU A 52 -6.719 -0.709 0.130 1.00 0.59 H new ATOM 0 HA GLU A 52 -8.184 -1.312 -2.283 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.230 0.989 -0.302 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -9.302 0.885 -1.684 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -9.134 -1.193 0.528 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -10.325 0.091 0.455 1.00 0.92 H new ATOM 818 N ALA A 53 -5.900 1.046 -2.215 1.00 0.52 N ATOM 819 CA ALA A 53 -5.097 1.949 -3.027 1.00 0.49 C ATOM 820 C ALA A 53 -4.291 1.191 -4.071 1.00 0.52 C ATOM 821 O ALA A 53 -4.321 1.531 -5.252 1.00 0.53 O ATOM 822 CB ALA A 53 -4.172 2.753 -2.133 1.00 0.43 C ATOM 0 H ALA A 53 -5.600 0.983 -1.242 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.771 2.624 -3.555 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.572 3.428 -2.743 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.764 3.333 -1.425 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.514 2.076 -1.587 1.00 0.43 H new ATOM 828 N GLY A 54 -3.582 0.157 -3.628 1.00 0.57 N ATOM 829 CA GLY A 54 -2.753 -0.633 -4.522 1.00 0.64 C ATOM 830 C GLY A 54 -3.548 -1.233 -5.659 1.00 0.74 C ATOM 831 O GLY A 54 -3.021 -1.451 -6.748 1.00 0.82 O ATOM 0 H GLY A 54 -3.567 -0.150 -2.656 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.959 -0.006 -4.928 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -2.271 -1.431 -3.957 1.00 0.64 H new ATOM 835 N ASP A 55 -4.822 -1.488 -5.405 1.00 0.79 N ATOM 836 CA ASP A 55 -5.715 -2.011 -6.427 1.00 0.92 C ATOM 837 C ASP A 55 -6.088 -0.917 -7.415 1.00 0.88 C ATOM 838 O ASP A 55 -6.031 -1.116 -8.630 1.00 0.97 O ATOM 839 CB ASP A 55 -6.982 -2.593 -5.797 1.00 1.04 C ATOM 840 CG ASP A 55 -8.048 -2.903 -6.829 1.00 1.12 C ATOM 841 OD1 ASP A 55 -7.901 -3.911 -7.555 1.00 1.34 O ATOM 842 OD2 ASP A 55 -9.030 -2.138 -6.928 1.00 1.29 O ATOM 0 H ASP A 55 -5.262 -1.341 -4.497 1.00 0.79 H new ATOM 0 HA ASP A 55 -5.192 -2.807 -6.956 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.730 -3.504 -5.254 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -7.380 -1.887 -5.068 1.00 1.04 H new ATOM 847 N GLU A 56 -6.444 0.249 -6.887 1.00 0.79 N ATOM 848 CA GLU A 56 -6.889 1.354 -7.719 1.00 0.83 C ATOM 849 C GLU A 56 -5.739 1.899 -8.563 1.00 0.78 C ATOM 850 O GLU A 56 -5.878 2.058 -9.774 1.00 0.85 O ATOM 851 CB GLU A 56 -7.511 2.467 -6.862 1.00 0.83 C ATOM 852 CG GLU A 56 -7.980 3.668 -7.671 1.00 0.94 C ATOM 853 CD GLU A 56 -8.730 4.681 -6.836 1.00 1.27 C ATOM 854 OE1 GLU A 56 -8.085 5.579 -6.251 1.00 2.06 O ATOM 855 OE2 GLU A 56 -9.975 4.592 -6.772 1.00 1.38 O ATOM 0 H GLU A 56 -6.432 0.450 -5.887 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.656 0.978 -8.396 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -8.357 2.059 -6.309 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -6.779 2.799 -6.125 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -7.117 4.150 -8.130 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -8.623 3.325 -8.482 1.00 0.94 H new ATOM 862 N PHE A 57 -4.594 2.147 -7.931 1.00 0.72 N ATOM 863 CA PHE A 57 -3.448 2.720 -8.632 1.00 0.76 C ATOM 864 C PHE A 57 -2.989 1.786 -9.750 1.00 0.82 C ATOM 865 O PHE A 57 -2.702 2.225 -10.866 1.00 0.90 O ATOM 866 CB PHE A 57 -2.292 2.992 -7.657 1.00 0.77 C ATOM 867 CG PHE A 57 -1.192 3.839 -8.243 1.00 0.94 C ATOM 868 CD1 PHE A 57 -0.167 3.254 -8.970 1.00 1.05 C ATOM 869 CD2 PHE A 57 -1.179 5.215 -8.063 1.00 1.07 C ATOM 870 CE1 PHE A 57 0.849 4.023 -9.507 1.00 1.25 C ATOM 871 CE2 PHE A 57 -0.164 5.988 -8.597 1.00 1.26 C ATOM 872 CZ PHE A 57 0.826 5.416 -9.331 1.00 1.34 C ATOM 0 H PHE A 57 -4.436 1.961 -6.941 1.00 0.72 H new ATOM 0 HA PHE A 57 -3.756 3.669 -9.071 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -2.686 3.487 -6.769 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.872 2.041 -7.331 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -0.162 2.184 -9.119 1.00 1.05 H new ATOM 0 HD2 PHE A 57 -1.970 5.687 -7.500 1.00 1.07 H new ATOM 0 HE1 PHE A 57 1.653 3.556 -10.057 1.00 1.25 H new ATOM 0 HE2 PHE A 57 -0.158 7.055 -8.429 1.00 1.26 H new ATOM 0 HZ PHE A 57 1.593 6.031 -9.778 1.00 1.34 H new ATOM 882 N GLU A 58 -2.972 0.488 -9.456 1.00 0.83 N ATOM 883 CA GLU A 58 -2.499 -0.514 -10.409 1.00 0.95 C ATOM 884 C GLU A 58 -3.530 -0.734 -11.517 1.00 0.99 C ATOM 885 O GLU A 58 -3.232 -1.317 -12.558 1.00 1.08 O ATOM 886 CB GLU A 58 -2.214 -1.832 -9.678 1.00 1.05 C ATOM 887 CG GLU A 58 -1.572 -2.911 -10.541 1.00 1.35 C ATOM 888 CD GLU A 58 -1.344 -4.194 -9.773 1.00 1.27 C ATOM 889 OE1 GLU A 58 -0.402 -4.246 -8.959 1.00 1.45 O ATOM 890 OE2 GLU A 58 -2.105 -5.160 -9.982 1.00 1.61 O ATOM 0 H GLU A 58 -3.281 0.104 -8.563 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.578 -0.154 -10.867 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -1.561 -1.628 -8.830 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -3.150 -2.218 -9.274 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -2.209 -3.113 -11.402 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -0.620 -2.547 -10.928 1.00 1.35 H new ATOM 897 N LEU A 59 -4.750 -0.284 -11.281 1.00 0.98 N ATOM 898 CA LEU A 59 -5.802 -0.379 -12.279 1.00 1.10 C ATOM 899 C LEU A 59 -5.821 0.865 -13.167 1.00 1.10 C ATOM 900 O LEU A 59 -6.263 0.816 -14.316 1.00 1.24 O ATOM 901 CB LEU A 59 -7.157 -0.552 -11.590 1.00 1.19 C ATOM 902 CG LEU A 59 -8.347 -0.776 -12.525 1.00 1.36 C ATOM 903 CD1 LEU A 59 -8.176 -2.069 -13.306 1.00 1.59 C ATOM 904 CD2 LEU A 59 -9.645 -0.793 -11.733 1.00 1.56 C ATOM 0 H LEU A 59 -5.037 0.152 -10.405 1.00 0.98 H new ATOM 0 HA LEU A 59 -5.605 -1.247 -12.909 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -7.091 -1.397 -10.905 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.354 0.334 -10.986 1.00 1.19 H new ATOM 0 HG LEU A 59 -8.389 0.048 -13.237 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -9.032 -2.212 -13.966 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -7.264 -2.017 -13.901 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -8.109 -2.907 -12.612 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.483 -0.953 -12.411 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -9.613 -1.598 -10.999 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.771 0.160 -11.220 1.00 1.56 H new ATOM 916 N ARG A 60 -5.326 1.974 -12.631 1.00 1.00 N ATOM 917 CA ARG A 60 -5.372 3.249 -13.341 1.00 1.06 C ATOM 918 C ARG A 60 -4.095 3.487 -14.139 1.00 1.00 C ATOM 919 O ARG A 60 -4.150 3.914 -15.290 1.00 1.07 O ATOM 920 CB ARG A 60 -5.591 4.419 -12.369 1.00 1.10 C ATOM 921 CG ARG A 60 -6.843 4.301 -11.509 1.00 1.19 C ATOM 922 CD ARG A 60 -8.102 4.095 -12.337 1.00 1.31 C ATOM 923 NE ARG A 60 -9.269 3.838 -11.493 1.00 1.81 N ATOM 924 CZ ARG A 60 -10.501 3.648 -11.961 1.00 2.26 C ATOM 925 NH1 ARG A 60 -10.738 3.716 -13.266 1.00 2.15 N ATOM 926 NH2 ARG A 60 -11.495 3.394 -11.121 1.00 3.21 N ATOM 0 H ARG A 60 -4.889 2.018 -11.710 1.00 1.00 H new ATOM 0 HA ARG A 60 -6.214 3.198 -14.031 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.723 4.499 -11.715 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -5.645 5.345 -12.941 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -6.727 3.467 -10.817 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.952 5.203 -10.906 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -8.283 4.978 -12.949 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -7.955 3.258 -13.020 1.00 1.31 H new ATOM 0 HE ARG A 60 -9.130 3.802 -10.483 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -9.975 3.914 -13.913 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -11.683 3.570 -13.621 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -11.315 3.344 -10.118 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -12.439 3.248 -11.478 1.00 3.21 H new ATOM 940 N TYR A 61 -2.947 3.213 -13.533 1.00 0.91 N ATOM 941 CA TYR A 61 -1.668 3.502 -14.170 1.00 0.90 C ATOM 942 C TYR A 61 -0.776 2.266 -14.166 1.00 0.84 C ATOM 943 O TYR A 61 0.379 2.321 -13.741 1.00 0.83 O ATOM 944 CB TYR A 61 -0.958 4.661 -13.454 1.00 0.96 C ATOM 945 CG TYR A 61 -1.808 5.906 -13.309 1.00 1.05 C ATOM 946 CD1 TYR A 61 -2.157 6.669 -14.419 1.00 1.27 C ATOM 947 CD2 TYR A 61 -2.264 6.316 -12.062 1.00 1.04 C ATOM 948 CE1 TYR A 61 -2.941 7.801 -14.288 1.00 1.38 C ATOM 949 CE2 TYR A 61 -3.046 7.448 -11.925 1.00 1.14 C ATOM 950 CZ TYR A 61 -3.381 8.184 -13.040 1.00 1.27 C ATOM 951 OH TYR A 61 -4.169 9.306 -12.907 1.00 1.41 O ATOM 0 H TYR A 61 -2.875 2.793 -12.606 1.00 0.91 H new ATOM 0 HA TYR A 61 -1.862 3.792 -15.203 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.648 4.328 -12.464 1.00 0.96 H new ATOM 0 HB3 TYR A 61 -0.051 4.914 -14.004 1.00 0.96 H new ATOM 0 HD1 TYR A 61 -1.810 6.373 -15.398 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -2.003 5.741 -11.186 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -3.207 8.381 -15.159 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -3.392 7.754 -10.949 1.00 1.14 H new ATOM 0 HH TYR A 61 -4.395 9.437 -11.962 1.00 1.41 H new ATOM 961 N ARG A 62 -1.309 1.151 -14.650 1.00 0.86 N ATOM 962 CA ARG A 62 -0.563 -0.102 -14.653 1.00 0.85 C ATOM 963 C ARG A 62 0.613 -0.035 -15.623 1.00 0.87 C ATOM 964 O ARG A 62 1.669 -0.616 -15.369 1.00 0.85 O ATOM 965 CB ARG A 62 -1.473 -1.278 -15.010 1.00 0.95 C ATOM 966 CG ARG A 62 -0.804 -2.636 -14.853 1.00 1.04 C ATOM 967 CD ARG A 62 -1.799 -3.775 -15.016 1.00 1.23 C ATOM 968 NE ARG A 62 -2.862 -3.720 -14.009 1.00 1.73 N ATOM 969 CZ ARG A 62 -3.582 -4.776 -13.621 1.00 2.16 C ATOM 970 NH1 ARG A 62 -3.326 -5.982 -14.118 1.00 2.24 N ATOM 971 NH2 ARG A 62 -4.549 -4.626 -12.721 1.00 3.02 N ATOM 0 H ARG A 62 -2.248 1.088 -15.043 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.173 -0.258 -13.647 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.361 -1.244 -14.378 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -1.811 -1.166 -16.040 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -0.010 -2.738 -15.592 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -0.336 -2.700 -13.871 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -2.240 -3.732 -16.012 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -1.276 -4.728 -14.940 1.00 1.23 H new ATOM 0 HE ARG A 62 -3.065 -2.819 -13.577 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -2.577 -6.104 -14.799 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -3.879 -6.785 -13.818 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -4.741 -3.705 -12.327 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -5.099 -5.432 -12.424 1.00 3.02 H new ATOM 985 N ARG A 63 0.434 0.687 -16.724 1.00 0.94 N ATOM 986 CA ARG A 63 1.496 0.833 -17.714 1.00 1.01 C ATOM 987 C ARG A 63 2.646 1.650 -17.133 1.00 0.95 C ATOM 988 O ARG A 63 3.818 1.350 -17.368 1.00 0.99 O ATOM 989 CB ARG A 63 0.962 1.485 -18.997 1.00 1.16 C ATOM 990 CG ARG A 63 -0.114 0.660 -19.694 1.00 1.70 C ATOM 991 CD ARG A 63 -0.618 1.341 -20.956 1.00 2.14 C ATOM 992 NE ARG A 63 -1.639 0.544 -21.636 1.00 2.71 N ATOM 993 CZ ARG A 63 -2.053 0.767 -22.883 1.00 3.58 C ATOM 994 NH1 ARG A 63 -1.568 1.790 -23.576 1.00 3.92 N ATOM 995 NH2 ARG A 63 -2.962 -0.025 -23.439 1.00 4.52 N ATOM 0 H ARG A 63 -0.430 1.178 -16.953 1.00 0.94 H new ATOM 0 HA ARG A 63 1.867 -0.159 -17.972 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.556 2.467 -18.755 1.00 1.16 H new ATOM 0 HB3 ARG A 63 1.791 1.644 -19.687 1.00 1.16 H new ATOM 0 HG2 ARG A 63 0.287 -0.322 -19.946 1.00 1.70 H new ATOM 0 HG3 ARG A 63 -0.948 0.498 -19.011 1.00 1.70 H new ATOM 0 HD2 ARG A 63 -1.030 2.318 -20.702 1.00 2.14 H new ATOM 0 HD3 ARG A 63 0.218 1.514 -21.634 1.00 2.14 H new ATOM 0 HE ARG A 63 -2.060 -0.231 -21.124 1.00 2.71 H new ATOM 0 HH11 ARG A 63 -0.876 2.409 -23.154 1.00 3.92 H new ATOM 0 HH12 ARG A 63 -1.888 1.957 -24.530 1.00 3.92 H new ATOM 0 HH21 ARG A 63 -3.347 -0.809 -22.911 1.00 4.52 H new ATOM 0 HH22 ARG A 63 -3.275 0.150 -24.394 1.00 4.52 H new ATOM 1009 N ALA A 64 2.308 2.672 -16.356 1.00 0.90 N ATOM 1010 CA ALA A 64 3.308 3.471 -15.669 1.00 0.89 C ATOM 1011 C ALA A 64 4.004 2.639 -14.602 1.00 0.75 C ATOM 1012 O ALA A 64 5.216 2.742 -14.409 1.00 0.73 O ATOM 1013 CB ALA A 64 2.671 4.703 -15.049 1.00 0.94 C ATOM 0 H ALA A 64 1.346 2.965 -16.187 1.00 0.90 H new ATOM 0 HA ALA A 64 4.051 3.798 -16.396 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.435 5.290 -14.539 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.211 5.307 -15.831 1.00 0.94 H new ATOM 0 HB3 ALA A 64 1.909 4.397 -14.332 1.00 0.94 H new ATOM 1019 N PHE A 65 3.223 1.807 -13.924 1.00 0.69 N ATOM 1020 CA PHE A 65 3.742 0.915 -12.894 1.00 0.61 C ATOM 1021 C PHE A 65 4.791 -0.035 -13.466 1.00 0.59 C ATOM 1022 O PHE A 65 5.904 -0.129 -12.943 1.00 0.59 O ATOM 1023 CB PHE A 65 2.596 0.111 -12.263 1.00 0.62 C ATOM 1024 CG PHE A 65 3.049 -0.867 -11.215 1.00 0.59 C ATOM 1025 CD1 PHE A 65 3.435 -0.429 -9.955 1.00 0.60 C ATOM 1026 CD2 PHE A 65 3.091 -2.222 -11.490 1.00 0.64 C ATOM 1027 CE1 PHE A 65 3.851 -1.328 -8.993 1.00 0.64 C ATOM 1028 CE2 PHE A 65 3.507 -3.123 -10.531 1.00 0.68 C ATOM 1029 CZ PHE A 65 3.885 -2.669 -9.273 1.00 0.66 C ATOM 0 H PHE A 65 2.217 1.731 -14.071 1.00 0.69 H new ATOM 0 HA PHE A 65 4.217 1.526 -12.127 1.00 0.61 H new ATOM 0 HB2 PHE A 65 1.881 0.803 -11.817 1.00 0.62 H new ATOM 0 HB3 PHE A 65 2.068 -0.430 -13.048 1.00 0.62 H new ATOM 0 HD1 PHE A 65 3.410 0.626 -9.725 1.00 0.60 H new ATOM 0 HD2 PHE A 65 2.795 -2.579 -12.466 1.00 0.64 H new ATOM 0 HE1 PHE A 65 4.150 -0.973 -8.018 1.00 0.64 H new ATOM 0 HE2 PHE A 65 3.539 -4.178 -10.758 1.00 0.68 H new ATOM 0 HZ PHE A 65 4.205 -3.372 -8.518 1.00 0.66 H new ATOM 1039 N SER A 66 4.442 -0.727 -14.544 1.00 0.64 N ATOM 1040 CA SER A 66 5.327 -1.721 -15.139 1.00 0.68 C ATOM 1041 C SER A 66 6.585 -1.074 -15.719 1.00 0.66 C ATOM 1042 O SER A 66 7.665 -1.663 -15.686 1.00 0.68 O ATOM 1043 CB SER A 66 4.581 -2.512 -16.218 1.00 0.83 C ATOM 1044 OG SER A 66 3.915 -1.644 -17.118 1.00 1.20 O ATOM 0 H SER A 66 3.549 -0.617 -15.025 1.00 0.64 H new ATOM 0 HA SER A 66 5.643 -2.406 -14.352 1.00 0.68 H new ATOM 0 HB2 SER A 66 5.285 -3.139 -16.766 1.00 0.83 H new ATOM 0 HB3 SER A 66 3.858 -3.179 -15.749 1.00 0.83 H new ATOM 0 HG SER A 66 3.070 -1.346 -16.721 1.00 1.20 H new ATOM 1050 N ASP A 67 6.448 0.141 -16.232 1.00 0.68 N ATOM 1051 CA ASP A 67 7.587 0.855 -16.809 1.00 0.73 C ATOM 1052 C ASP A 67 8.503 1.395 -15.712 1.00 0.65 C ATOM 1053 O ASP A 67 9.728 1.329 -15.822 1.00 0.66 O ATOM 1054 CB ASP A 67 7.109 2.006 -17.697 1.00 0.89 C ATOM 1055 CG ASP A 67 8.248 2.679 -18.436 1.00 1.36 C ATOM 1056 OD1 ASP A 67 8.632 2.195 -19.521 1.00 1.41 O ATOM 1057 OD2 ASP A 67 8.773 3.691 -17.928 1.00 2.06 O ATOM 0 H ASP A 67 5.567 0.653 -16.262 1.00 0.68 H new ATOM 0 HA ASP A 67 8.150 0.148 -17.418 1.00 0.73 H new ATOM 0 HB2 ASP A 67 6.385 1.628 -18.419 1.00 0.89 H new ATOM 0 HB3 ASP A 67 6.592 2.744 -17.083 1.00 0.89 H new ATOM 1062 N LEU A 68 7.904 1.910 -14.646 1.00 0.63 N ATOM 1063 CA LEU A 68 8.662 2.523 -13.564 1.00 0.66 C ATOM 1064 C LEU A 68 9.387 1.462 -12.739 1.00 0.57 C ATOM 1065 O LEU A 68 10.461 1.714 -12.194 1.00 0.63 O ATOM 1066 CB LEU A 68 7.724 3.353 -12.680 1.00 0.75 C ATOM 1067 CG LEU A 68 8.406 4.315 -11.702 1.00 0.81 C ATOM 1068 CD1 LEU A 68 9.318 5.281 -12.443 1.00 1.64 C ATOM 1069 CD2 LEU A 68 7.364 5.087 -10.912 1.00 1.07 C ATOM 0 H LEU A 68 6.893 1.915 -14.508 1.00 0.63 H new ATOM 0 HA LEU A 68 9.417 3.182 -13.993 1.00 0.66 H new ATOM 0 HB2 LEU A 68 7.063 3.930 -13.326 1.00 0.75 H new ATOM 0 HB3 LEU A 68 7.095 2.670 -12.109 1.00 0.75 H new ATOM 0 HG LEU A 68 9.012 3.728 -11.012 1.00 0.81 H new ATOM 0 HD11 LEU A 68 9.792 5.955 -11.729 1.00 1.64 H new ATOM 0 HD12 LEU A 68 10.085 4.720 -12.977 1.00 1.64 H new ATOM 0 HD13 LEU A 68 8.731 5.861 -13.155 1.00 1.64 H new ATOM 0 HD21 LEU A 68 7.862 5.767 -10.221 1.00 1.07 H new ATOM 0 HD22 LEU A 68 6.739 5.659 -11.597 1.00 1.07 H new ATOM 0 HD23 LEU A 68 6.743 4.389 -10.350 1.00 1.07 H new ATOM 1081 N THR A 69 8.815 0.265 -12.673 1.00 0.49 N ATOM 1082 CA THR A 69 9.433 -0.826 -11.928 1.00 0.49 C ATOM 1083 C THR A 69 10.645 -1.392 -12.664 1.00 0.46 C ATOM 1084 O THR A 69 11.494 -2.041 -12.059 1.00 0.51 O ATOM 1085 CB THR A 69 8.433 -1.956 -11.621 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.588 -2.193 -12.753 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.584 -1.612 -10.412 1.00 0.63 C ATOM 0 H THR A 69 7.931 0.026 -13.123 1.00 0.49 H new ATOM 0 HA THR A 69 9.766 -0.401 -10.981 1.00 0.49 H new ATOM 0 HB THR A 69 9.002 -2.860 -11.402 1.00 0.51 H new ATOM 0 HG1 THR A 69 6.791 -1.627 -12.690 1.00 0.71 H new ATOM 0 HG21 THR A 69 6.885 -2.425 -10.215 1.00 0.63 H new ATOM 0 HG22 THR A 69 8.228 -1.468 -9.544 1.00 0.63 H new ATOM 0 HG23 THR A 69 7.028 -0.695 -10.607 1.00 0.63 H new ATOM 1095 N SER A 70 10.734 -1.131 -13.964 1.00 0.46 N ATOM 1096 CA SER A 70 11.898 -1.542 -14.738 1.00 0.49 C ATOM 1097 C SER A 70 13.099 -0.666 -14.378 1.00 0.48 C ATOM 1098 O SER A 70 14.251 -1.090 -14.482 1.00 0.53 O ATOM 1099 CB SER A 70 11.600 -1.463 -16.238 1.00 0.57 C ATOM 1100 OG SER A 70 10.481 -2.269 -16.577 1.00 1.31 O ATOM 0 H SER A 70 10.019 -0.640 -14.500 1.00 0.46 H new ATOM 0 HA SER A 70 12.136 -2.578 -14.495 1.00 0.49 H new ATOM 0 HB2 SER A 70 11.406 -0.428 -16.520 1.00 0.57 H new ATOM 0 HB3 SER A 70 12.473 -1.789 -16.804 1.00 0.57 H new ATOM 0 HG SER A 70 9.668 -1.878 -16.194 1.00 1.31 H new ATOM 1106 N GLN A 71 12.812 0.552 -13.933 1.00 0.49 N ATOM 1107 CA GLN A 71 13.841 1.466 -13.456 1.00 0.53 C ATOM 1108 C GLN A 71 14.266 1.063 -12.048 1.00 0.46 C ATOM 1109 O GLN A 71 15.372 1.366 -11.598 1.00 0.53 O ATOM 1110 CB GLN A 71 13.303 2.902 -13.468 1.00 0.63 C ATOM 1111 CG GLN A 71 14.279 3.944 -12.944 1.00 0.69 C ATOM 1112 CD GLN A 71 13.685 5.343 -12.946 1.00 0.83 C ATOM 1113 OE1 GLN A 71 13.808 6.075 -13.927 1.00 1.22 O ATOM 1114 NE2 GLN A 71 13.027 5.723 -11.856 1.00 0.82 N ATOM 0 H GLN A 71 11.866 0.931 -13.893 1.00 0.49 H new ATOM 0 HA GLN A 71 14.710 1.416 -14.112 1.00 0.53 H new ATOM 0 HB2 GLN A 71 13.024 3.164 -14.489 1.00 0.63 H new ATOM 0 HB3 GLN A 71 12.393 2.941 -12.869 1.00 0.63 H new ATOM 0 HG2 GLN A 71 14.579 3.680 -11.930 1.00 0.69 H new ATOM 0 HG3 GLN A 71 15.181 3.934 -13.556 1.00 0.69 H new ATOM 0 HE21 GLN A 71 12.946 5.088 -11.062 1.00 0.82 H new ATOM 0 HE22 GLN A 71 12.603 6.650 -11.813 1.00 0.82 H new ATOM 1123 N LEU A 72 13.376 0.351 -11.373 1.00 0.39 N ATOM 1124 CA LEU A 72 13.615 -0.112 -10.013 1.00 0.33 C ATOM 1125 C LEU A 72 13.970 -1.600 -10.026 1.00 0.34 C ATOM 1126 O LEU A 72 13.806 -2.303 -9.034 1.00 0.37 O ATOM 1127 CB LEU A 72 12.365 0.148 -9.154 1.00 0.37 C ATOM 1128 CG LEU A 72 12.515 -0.110 -7.651 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.711 0.641 -7.091 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.245 0.297 -6.922 1.00 0.92 C ATOM 0 H LEU A 72 12.469 0.078 -11.751 1.00 0.39 H new ATOM 0 HA LEU A 72 14.453 0.435 -9.581 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.061 1.185 -9.296 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.554 -0.476 -9.530 1.00 0.37 H new ATOM 0 HG LEU A 72 12.683 -1.176 -7.499 1.00 0.46 H new ATOM 0 HD11 LEU A 72 13.797 0.443 -6.023 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.618 0.309 -7.596 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.577 1.711 -7.252 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.362 0.110 -5.855 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.056 1.358 -7.085 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.405 -0.284 -7.302 1.00 0.92 H new ATOM 1142 N HIS A 73 14.473 -2.059 -11.169 1.00 0.41 N ATOM 1143 CA HIS A 73 14.874 -3.452 -11.346 1.00 0.46 C ATOM 1144 C HIS A 73 15.901 -3.848 -10.284 1.00 0.41 C ATOM 1145 O HIS A 73 17.035 -3.365 -10.301 1.00 0.45 O ATOM 1146 CB HIS A 73 15.464 -3.639 -12.753 1.00 0.60 C ATOM 1147 CG HIS A 73 15.777 -5.061 -13.123 1.00 1.34 C ATOM 1148 ND1 HIS A 73 15.238 -5.682 -14.226 1.00 2.07 N ATOM 1149 CD2 HIS A 73 16.606 -5.969 -12.554 1.00 2.33 C ATOM 1150 CE1 HIS A 73 15.719 -6.906 -14.320 1.00 2.86 C ATOM 1151 NE2 HIS A 73 16.555 -7.108 -13.318 1.00 3.01 N ATOM 0 H HIS A 73 14.614 -1.478 -11.996 1.00 0.41 H new ATOM 0 HA HIS A 73 14.000 -4.094 -11.234 1.00 0.46 H new ATOM 0 HB2 HIS A 73 14.762 -3.235 -13.482 1.00 0.60 H new ATOM 0 HB3 HIS A 73 16.378 -3.049 -12.830 1.00 0.60 H new ATOM 0 HD2 HIS A 73 17.198 -5.823 -11.663 1.00 2.33 H new ATOM 0 HE1 HIS A 73 15.471 -7.623 -15.088 1.00 2.86 H new ATOM 0 HE2 HIS A 73 17.076 -7.967 -13.141 1.00 3.01 H new ATOM 1160 N ILE A 74 15.507 -4.726 -9.368 1.00 0.37 N ATOM 1161 CA ILE A 74 16.389 -5.136 -8.287 1.00 0.36 C ATOM 1162 C ILE A 74 17.419 -6.165 -8.772 1.00 0.45 C ATOM 1163 O ILE A 74 17.106 -7.333 -9.004 1.00 0.61 O ATOM 1164 CB ILE A 74 15.587 -5.686 -7.076 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.538 -6.106 -5.953 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.685 -6.848 -7.477 1.00 0.35 C ATOM 1167 CD1 ILE A 74 15.828 -6.499 -4.680 1.00 0.34 C ATOM 0 H ILE A 74 14.586 -5.165 -9.354 1.00 0.37 H new ATOM 0 HA ILE A 74 16.928 -4.249 -7.953 1.00 0.36 H new ATOM 0 HB ILE A 74 14.945 -4.884 -6.713 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.144 -6.944 -6.295 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.222 -5.284 -5.740 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.141 -7.205 -6.603 1.00 0.35 H new ATOM 0 HG22 ILE A 74 13.976 -6.514 -8.234 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.293 -7.657 -7.881 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.563 -6.785 -3.927 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.243 -5.655 -4.314 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.165 -7.341 -4.878 1.00 0.34 H new ATOM 1179 N THR A 75 18.641 -5.701 -8.984 1.00 0.61 N ATOM 1180 CA THR A 75 19.735 -6.571 -9.380 1.00 0.73 C ATOM 1181 C THR A 75 20.552 -6.986 -8.157 1.00 0.58 C ATOM 1182 O THR A 75 20.485 -6.329 -7.116 1.00 0.57 O ATOM 1183 CB THR A 75 20.657 -5.861 -10.391 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.967 -4.539 -9.925 1.00 1.38 O ATOM 1185 CG2 THR A 75 20.008 -5.784 -11.763 1.00 1.56 C ATOM 0 H THR A 75 18.900 -4.719 -8.887 1.00 0.61 H new ATOM 0 HA THR A 75 19.308 -7.457 -9.849 1.00 0.73 H new ATOM 0 HB THR A 75 21.576 -6.441 -10.479 1.00 1.02 H new ATOM 0 HG1 THR A 75 21.554 -4.094 -10.571 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.681 -5.278 -12.456 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.803 -6.791 -12.126 1.00 1.56 H new ATOM 0 HG23 THR A 75 19.074 -5.227 -11.693 1.00 1.56 H new ATOM 1193 N PRO A 76 21.316 -8.085 -8.250 1.00 0.66 N ATOM 1194 CA PRO A 76 22.209 -8.512 -7.170 1.00 0.73 C ATOM 1195 C PRO A 76 23.177 -7.401 -6.772 1.00 0.72 C ATOM 1196 O PRO A 76 23.950 -6.912 -7.600 1.00 0.81 O ATOM 1197 CB PRO A 76 22.970 -9.695 -7.776 1.00 0.93 C ATOM 1198 CG PRO A 76 22.084 -10.205 -8.858 1.00 1.06 C ATOM 1199 CD PRO A 76 21.361 -9.004 -9.399 1.00 0.90 C ATOM 0 HA PRO A 76 21.665 -8.769 -6.261 1.00 0.73 H new ATOM 0 HB2 PRO A 76 23.937 -9.383 -8.171 1.00 0.93 H new ATOM 0 HB3 PRO A 76 23.165 -10.464 -7.029 1.00 0.93 H new ATOM 0 HG2 PRO A 76 22.664 -10.696 -9.639 1.00 1.06 H new ATOM 0 HG3 PRO A 76 21.381 -10.943 -8.472 1.00 1.06 H new ATOM 0 HD2 PRO A 76 21.890 -8.564 -10.245 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.361 -9.261 -9.747 1.00 0.90 H new ATOM 1207 N GLY A 77 23.113 -6.989 -5.514 1.00 0.86 N ATOM 1208 CA GLY A 77 23.962 -5.916 -5.040 1.00 1.10 C ATOM 1209 C GLY A 77 23.198 -4.626 -4.817 1.00 1.00 C ATOM 1210 O GLY A 77 23.735 -3.675 -4.251 1.00 1.32 O ATOM 0 H GLY A 77 22.486 -7.380 -4.811 1.00 0.86 H new ATOM 0 HA2 GLY A 77 24.438 -6.219 -4.107 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.759 -5.742 -5.762 1.00 1.10 H new ATOM 1214 N THR A 78 21.949 -4.591 -5.268 1.00 0.85 N ATOM 1215 CA THR A 78 21.091 -3.429 -5.064 1.00 0.82 C ATOM 1216 C THR A 78 20.820 -3.226 -3.577 1.00 0.85 C ATOM 1217 O THR A 78 20.119 -4.015 -2.952 1.00 1.52 O ATOM 1218 CB THR A 78 19.753 -3.589 -5.819 1.00 0.90 C ATOM 1219 OG1 THR A 78 20.008 -3.730 -7.223 1.00 1.52 O ATOM 1220 CG2 THR A 78 18.839 -2.394 -5.589 1.00 1.15 C ATOM 0 H THR A 78 21.507 -5.356 -5.778 1.00 0.85 H new ATOM 0 HA THR A 78 21.610 -2.555 -5.459 1.00 0.82 H new ATOM 0 HB THR A 78 19.253 -4.479 -5.437 1.00 0.90 H new ATOM 0 HG1 THR A 78 20.433 -4.597 -7.393 1.00 1.52 H new ATOM 0 HG21 THR A 78 17.906 -2.539 -6.134 1.00 1.15 H new ATOM 0 HG22 THR A 78 18.626 -2.299 -4.524 1.00 1.15 H new ATOM 0 HG23 THR A 78 19.329 -1.487 -5.943 1.00 1.15 H new ATOM 1228 N ALA A 79 21.423 -2.193 -3.012 1.00 0.68 N ATOM 1229 CA ALA A 79 21.277 -1.897 -1.597 1.00 0.73 C ATOM 1230 C ALA A 79 20.239 -0.800 -1.382 1.00 0.62 C ATOM 1231 O ALA A 79 19.604 -0.351 -2.342 1.00 0.56 O ATOM 1232 CB ALA A 79 22.623 -1.490 -1.021 1.00 0.85 C ATOM 0 H ALA A 79 22.023 -1.541 -3.517 1.00 0.68 H new ATOM 0 HA ALA A 79 20.928 -2.790 -1.079 1.00 0.73 H new ATOM 0 HB1 ALA A 79 22.512 -1.268 0.040 1.00 0.85 H new ATOM 0 HB2 ALA A 79 23.335 -2.305 -1.149 1.00 0.85 H new ATOM 0 HB3 ALA A 79 22.988 -0.604 -1.541 1.00 0.85 H new ATOM 1238 N TYR A 80 20.065 -0.367 -0.132 1.00 0.63 N ATOM 1239 CA TYR A 80 19.127 0.710 0.183 1.00 0.58 C ATOM 1240 C TYR A 80 19.428 1.956 -0.639 1.00 0.50 C ATOM 1241 O TYR A 80 18.515 2.608 -1.133 1.00 0.46 O ATOM 1242 CB TYR A 80 19.143 1.062 1.680 1.00 0.67 C ATOM 1243 CG TYR A 80 18.294 2.274 2.012 1.00 0.80 C ATOM 1244 CD1 TYR A 80 16.905 2.208 1.966 1.00 0.89 C ATOM 1245 CD2 TYR A 80 18.880 3.476 2.392 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.128 3.305 2.286 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.107 4.575 2.719 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.739 4.511 2.581 1.00 1.58 C ATOM 1249 OH TYR A 80 15.958 5.571 2.997 1.00 2.03 O ATOM 0 H TYR A 80 20.560 -0.745 0.676 1.00 0.63 H new ATOM 0 HA TYR A 80 18.132 0.346 -0.073 1.00 0.58 H new ATOM 0 HB2 TYR A 80 18.785 0.206 2.253 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.170 1.248 1.993 1.00 0.67 H new ATOM 0 HD1 TYR A 80 16.426 1.284 1.676 1.00 0.89 H new ATOM 0 HD2 TYR A 80 19.957 3.553 2.432 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.051 3.222 2.306 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.574 5.479 3.081 1.00 1.55 H new ATOM 0 HH TYR A 80 16.215 6.379 2.506 1.00 2.03 H new ATOM 1259 N GLN A 81 20.708 2.281 -0.792 1.00 0.56 N ATOM 1260 CA GLN A 81 21.103 3.439 -1.583 1.00 0.59 C ATOM 1261 C GLN A 81 20.582 3.307 -3.008 1.00 0.54 C ATOM 1262 O GLN A 81 19.960 4.227 -3.537 1.00 0.63 O ATOM 1263 CB GLN A 81 22.625 3.599 -1.597 1.00 0.72 C ATOM 1264 CG GLN A 81 23.097 4.817 -2.382 1.00 0.84 C ATOM 1265 CD GLN A 81 24.607 4.907 -2.492 1.00 1.40 C ATOM 1266 OE1 GLN A 81 25.168 5.998 -2.571 1.00 2.01 O ATOM 1267 NE2 GLN A 81 25.276 3.765 -2.499 1.00 2.18 N ATOM 0 H GLN A 81 21.484 1.762 -0.381 1.00 0.56 H new ATOM 0 HA GLN A 81 20.667 4.327 -1.124 1.00 0.59 H new ATOM 0 HB2 GLN A 81 22.985 3.675 -0.571 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.073 2.703 -2.026 1.00 0.72 H new ATOM 0 HG2 GLN A 81 22.667 4.785 -3.383 1.00 0.84 H new ATOM 0 HG3 GLN A 81 22.719 5.720 -1.902 1.00 0.84 H new ATOM 0 HE21 GLN A 81 24.774 2.880 -2.432 1.00 2.18 H new ATOM 0 HE22 GLN A 81 26.293 3.770 -2.572 1.00 2.18 H new ATOM 1276 N SER A 82 20.813 2.146 -3.609 1.00 0.48 N ATOM 1277 CA SER A 82 20.372 1.879 -4.969 1.00 0.47 C ATOM 1278 C SER A 82 18.854 2.000 -5.068 1.00 0.40 C ATOM 1279 O SER A 82 18.322 2.563 -6.025 1.00 0.42 O ATOM 1280 CB SER A 82 20.816 0.478 -5.383 1.00 0.55 C ATOM 1281 OG SER A 82 22.158 0.237 -4.991 1.00 1.17 O ATOM 0 H SER A 82 21.308 1.370 -3.170 1.00 0.48 H new ATOM 0 HA SER A 82 20.821 2.612 -5.640 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.161 -0.265 -4.928 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.723 0.367 -6.463 1.00 0.55 H new ATOM 0 HG SER A 82 22.525 -0.502 -5.519 1.00 1.17 H new ATOM 1287 N PHE A 83 18.173 1.480 -4.054 1.00 0.36 N ATOM 1288 CA PHE A 83 16.719 1.519 -3.986 1.00 0.33 C ATOM 1289 C PHE A 83 16.222 2.954 -3.809 1.00 0.31 C ATOM 1290 O PHE A 83 15.266 3.378 -4.468 1.00 0.32 O ATOM 1291 CB PHE A 83 16.239 0.629 -2.826 1.00 0.35 C ATOM 1292 CG PHE A 83 14.748 0.612 -2.623 1.00 0.33 C ATOM 1293 CD1 PHE A 83 13.916 -0.028 -3.527 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.182 1.226 -1.516 1.00 0.32 C ATOM 1295 CE1 PHE A 83 12.548 -0.053 -3.330 1.00 0.41 C ATOM 1296 CE2 PHE A 83 12.817 1.205 -1.317 1.00 0.34 C ATOM 1297 CZ PHE A 83 11.999 0.565 -2.225 1.00 0.38 C ATOM 0 H PHE A 83 18.613 1.020 -3.257 1.00 0.36 H new ATOM 0 HA PHE A 83 16.308 1.140 -4.922 1.00 0.33 H new ATOM 0 HB2 PHE A 83 16.580 -0.391 -3.003 1.00 0.35 H new ATOM 0 HB3 PHE A 83 16.714 0.968 -1.905 1.00 0.35 H new ATOM 0 HD1 PHE A 83 14.340 -0.512 -4.394 1.00 0.38 H new ATOM 0 HD2 PHE A 83 14.818 1.727 -0.801 1.00 0.32 H new ATOM 0 HE1 PHE A 83 11.909 -0.556 -4.041 1.00 0.41 H new ATOM 0 HE2 PHE A 83 12.389 1.689 -0.451 1.00 0.34 H new ATOM 0 HZ PHE A 83 10.930 0.548 -2.071 1.00 0.38 H new ATOM 1307 N GLU A 84 16.892 3.711 -2.945 1.00 0.34 N ATOM 1308 CA GLU A 84 16.475 5.074 -2.642 1.00 0.39 C ATOM 1309 C GLU A 84 16.687 5.984 -3.845 1.00 0.37 C ATOM 1310 O GLU A 84 15.895 6.883 -4.084 1.00 0.40 O ATOM 1311 CB GLU A 84 17.228 5.631 -1.427 1.00 0.51 C ATOM 1312 CG GLU A 84 16.739 7.008 -1.003 1.00 0.64 C ATOM 1313 CD GLU A 84 17.551 7.600 0.127 1.00 0.90 C ATOM 1314 OE1 GLU A 84 18.608 8.203 -0.145 1.00 1.58 O ATOM 1315 OE2 GLU A 84 17.139 7.452 1.299 1.00 0.95 O ATOM 0 H GLU A 84 17.725 3.403 -2.443 1.00 0.34 H new ATOM 0 HA GLU A 84 15.412 5.045 -2.403 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.119 4.940 -0.591 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.292 5.685 -1.659 1.00 0.51 H new ATOM 0 HG2 GLU A 84 16.775 7.680 -1.860 1.00 0.64 H new ATOM 0 HG3 GLU A 84 15.695 6.939 -0.696 1.00 0.64 H new ATOM 1322 N GLN A 85 17.743 5.732 -4.613 1.00 0.37 N ATOM 1323 CA GLN A 85 18.039 6.536 -5.804 1.00 0.42 C ATOM 1324 C GLN A 85 16.846 6.569 -6.756 1.00 0.38 C ATOM 1325 O GLN A 85 16.662 7.527 -7.505 1.00 0.46 O ATOM 1326 CB GLN A 85 19.256 5.974 -6.540 1.00 0.50 C ATOM 1327 CG GLN A 85 20.574 6.134 -5.793 1.00 0.61 C ATOM 1328 CD GLN A 85 21.691 5.318 -6.415 1.00 1.44 C ATOM 1329 OE1 GLN A 85 22.863 5.689 -6.344 1.00 1.90 O ATOM 1330 NE2 GLN A 85 21.338 4.197 -7.028 1.00 2.16 N ATOM 0 H GLN A 85 18.409 4.980 -4.436 1.00 0.37 H new ATOM 0 HA GLN A 85 18.252 7.552 -5.471 1.00 0.42 H new ATOM 0 HB2 GLN A 85 19.090 4.915 -6.735 1.00 0.50 H new ATOM 0 HB3 GLN A 85 19.339 6.467 -7.508 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.858 7.186 -5.783 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.440 5.830 -4.755 1.00 0.61 H new ATOM 0 HE21 GLN A 85 20.356 3.924 -7.065 1.00 2.16 H new ATOM 0 HE22 GLN A 85 22.048 3.608 -7.462 1.00 2.16 H new ATOM 1339 N VAL A 86 16.041 5.520 -6.714 1.00 0.31 N ATOM 1340 CA VAL A 86 14.859 5.432 -7.547 1.00 0.31 C ATOM 1341 C VAL A 86 13.662 6.040 -6.833 1.00 0.29 C ATOM 1342 O VAL A 86 13.028 6.966 -7.330 1.00 0.32 O ATOM 1343 CB VAL A 86 14.542 3.967 -7.888 1.00 0.33 C ATOM 1344 CG1 VAL A 86 13.314 3.876 -8.778 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.743 3.300 -8.537 1.00 0.36 C ATOM 0 H VAL A 86 16.189 4.714 -6.107 1.00 0.31 H new ATOM 0 HA VAL A 86 15.057 5.982 -8.467 1.00 0.31 H new ATOM 0 HB VAL A 86 14.321 3.436 -6.962 1.00 0.33 H new ATOM 0 HG11 VAL A 86 13.107 2.831 -9.007 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.458 4.310 -8.262 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.495 4.422 -9.704 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.501 2.263 -8.772 1.00 0.36 H new ATOM 0 HG22 VAL A 86 16.001 3.829 -9.454 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.590 3.328 -7.851 1.00 0.36 H new ATOM 1355 N VAL A 87 13.369 5.512 -5.656 1.00 0.28 N ATOM 1356 CA VAL A 87 12.184 5.904 -4.906 1.00 0.32 C ATOM 1357 C VAL A 87 12.273 7.341 -4.384 1.00 0.35 C ATOM 1358 O VAL A 87 11.279 7.913 -3.941 1.00 0.37 O ATOM 1359 CB VAL A 87 11.923 4.932 -3.746 1.00 0.38 C ATOM 1360 CG1 VAL A 87 11.878 3.509 -4.267 1.00 0.38 C ATOM 1361 CG2 VAL A 87 12.976 5.075 -2.662 1.00 0.41 C ATOM 0 H VAL A 87 13.941 4.804 -5.195 1.00 0.28 H new ATOM 0 HA VAL A 87 11.345 5.861 -5.601 1.00 0.32 H new ATOM 0 HB VAL A 87 10.959 5.177 -3.301 1.00 0.38 H new ATOM 0 HG11 VAL A 87 11.693 2.824 -3.439 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.078 3.416 -5.001 1.00 0.38 H new ATOM 0 HG13 VAL A 87 12.831 3.263 -4.735 1.00 0.38 H new ATOM 0 HG21 VAL A 87 12.764 4.374 -1.854 1.00 0.41 H new ATOM 0 HG22 VAL A 87 13.960 4.861 -3.080 1.00 0.41 H new ATOM 0 HG23 VAL A 87 12.961 6.093 -2.272 1.00 0.41 H new ATOM 1371 N ASN A 88 13.462 7.922 -4.437 1.00 0.38 N ATOM 1372 CA ASN A 88 13.644 9.328 -4.071 1.00 0.47 C ATOM 1373 C ASN A 88 12.965 10.218 -5.102 1.00 0.44 C ATOM 1374 O ASN A 88 12.526 11.326 -4.795 1.00 0.45 O ATOM 1375 CB ASN A 88 15.134 9.684 -3.990 1.00 0.61 C ATOM 1376 CG ASN A 88 15.381 11.055 -3.388 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.653 11.502 -2.503 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.415 11.732 -3.862 1.00 0.97 N ATOM 0 H ASN A 88 14.316 7.447 -4.729 1.00 0.38 H new ATOM 0 HA ASN A 88 13.195 9.489 -3.091 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.650 8.932 -3.393 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.566 9.649 -4.990 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.631 12.658 -3.493 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.996 11.328 -4.597 1.00 0.97 H new ATOM 1385 N GLU A 89 12.851 9.703 -6.323 1.00 0.42 N ATOM 1386 CA GLU A 89 12.212 10.431 -7.407 1.00 0.45 C ATOM 1387 C GLU A 89 10.726 10.617 -7.120 1.00 0.38 C ATOM 1388 O GLU A 89 10.092 11.514 -7.667 1.00 0.43 O ATOM 1389 CB GLU A 89 12.409 9.692 -8.731 1.00 0.54 C ATOM 1390 CG GLU A 89 13.859 9.628 -9.176 1.00 0.65 C ATOM 1391 CD GLU A 89 14.372 10.959 -9.679 1.00 1.23 C ATOM 1392 OE1 GLU A 89 14.779 11.794 -8.845 1.00 2.04 O ATOM 1393 OE2 GLU A 89 14.378 11.179 -10.907 1.00 1.28 O ATOM 0 H GLU A 89 13.196 8.779 -6.584 1.00 0.42 H new ATOM 0 HA GLU A 89 12.675 11.415 -7.485 1.00 0.45 H new ATOM 0 HB2 GLU A 89 12.022 8.678 -8.634 1.00 0.54 H new ATOM 0 HB3 GLU A 89 11.821 10.185 -9.505 1.00 0.54 H new ATOM 0 HG2 GLU A 89 14.477 9.296 -8.342 1.00 0.65 H new ATOM 0 HG3 GLU A 89 13.961 8.882 -9.964 1.00 0.65 H new ATOM 1400 N LEU A 90 10.183 9.768 -6.252 1.00 0.31 N ATOM 1401 CA LEU A 90 8.795 9.884 -5.826 1.00 0.27 C ATOM 1402 C LEU A 90 8.631 11.118 -4.952 1.00 0.25 C ATOM 1403 O LEU A 90 7.666 11.869 -5.083 1.00 0.26 O ATOM 1404 CB LEU A 90 8.375 8.644 -5.035 1.00 0.26 C ATOM 1405 CG LEU A 90 8.564 7.310 -5.748 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.311 6.163 -4.787 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.640 7.208 -6.949 1.00 0.37 C ATOM 0 H LEU A 90 10.688 8.989 -5.829 1.00 0.31 H new ATOM 0 HA LEU A 90 8.164 9.971 -6.710 1.00 0.27 H new ATOM 0 HB2 LEU A 90 8.941 8.621 -4.104 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.324 8.746 -4.766 1.00 0.26 H new ATOM 0 HG LEU A 90 9.593 7.250 -6.103 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.449 5.215 -5.307 1.00 0.31 H new ATOM 0 HD12 LEU A 90 9.011 6.225 -3.954 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.291 6.224 -4.408 1.00 0.31 H new ATOM 0 HD21 LEU A 90 7.791 6.248 -7.444 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.604 7.287 -6.619 1.00 0.37 H new ATOM 0 HD23 LEU A 90 7.861 8.015 -7.648 1.00 0.37 H new ATOM 1419 N PHE A 91 9.602 11.324 -4.072 1.00 0.27 N ATOM 1420 CA PHE A 91 9.575 12.441 -3.138 1.00 0.29 C ATOM 1421 C PHE A 91 9.826 13.749 -3.878 1.00 0.33 C ATOM 1422 O PHE A 91 9.249 14.787 -3.549 1.00 0.33 O ATOM 1423 CB PHE A 91 10.635 12.239 -2.045 1.00 0.35 C ATOM 1424 CG PHE A 91 10.471 13.138 -0.850 1.00 0.37 C ATOM 1425 CD1 PHE A 91 11.077 14.383 -0.820 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.709 12.742 0.241 1.00 0.37 C ATOM 1427 CE1 PHE A 91 10.931 15.216 0.272 1.00 0.53 C ATOM 1428 CE2 PHE A 91 9.560 13.571 1.336 1.00 0.43 C ATOM 1429 CZ PHE A 91 10.164 14.789 1.367 1.00 0.50 C ATOM 0 H PHE A 91 10.424 10.727 -3.986 1.00 0.27 H new ATOM 0 HA PHE A 91 8.592 12.486 -2.670 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.603 11.202 -1.712 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.622 12.405 -2.477 1.00 0.35 H new ATOM 0 HD1 PHE A 91 11.672 14.707 -1.662 1.00 0.46 H new ATOM 0 HD2 PHE A 91 9.227 11.775 0.234 1.00 0.37 H new ATOM 0 HE1 PHE A 91 11.403 16.187 0.283 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.959 13.249 2.174 1.00 0.43 H new ATOM 0 HZ PHE A 91 10.054 15.426 2.232 1.00 0.50 H new ATOM 1439 N ARG A 92 10.673 13.684 -4.897 1.00 0.39 N ATOM 1440 CA ARG A 92 11.051 14.865 -5.661 1.00 0.49 C ATOM 1441 C ARG A 92 10.026 15.173 -6.747 1.00 0.51 C ATOM 1442 O ARG A 92 10.133 16.176 -7.450 1.00 0.62 O ATOM 1443 CB ARG A 92 12.428 14.662 -6.297 1.00 0.56 C ATOM 1444 CG ARG A 92 13.553 14.462 -5.291 1.00 1.24 C ATOM 1445 CD ARG A 92 13.724 15.672 -4.387 1.00 1.54 C ATOM 1446 NE ARG A 92 14.730 15.439 -3.353 1.00 2.30 N ATOM 1447 CZ ARG A 92 14.738 16.045 -2.170 1.00 2.99 C ATOM 1448 NH1 ARG A 92 13.830 16.966 -1.882 1.00 3.13 N ATOM 1449 NH2 ARG A 92 15.674 15.742 -1.284 1.00 3.95 N ATOM 0 H ARG A 92 11.113 12.820 -5.215 1.00 0.39 H new ATOM 0 HA ARG A 92 11.087 15.710 -4.973 1.00 0.49 H new ATOM 0 HB2 ARG A 92 12.387 13.796 -6.958 1.00 0.56 H new ATOM 0 HB3 ARG A 92 12.660 15.527 -6.919 1.00 0.56 H new ATOM 0 HG2 ARG A 92 13.345 13.581 -4.684 1.00 1.24 H new ATOM 0 HG3 ARG A 92 14.485 14.270 -5.822 1.00 1.24 H new ATOM 0 HD2 ARG A 92 14.012 16.536 -4.986 1.00 1.54 H new ATOM 0 HD3 ARG A 92 12.770 15.913 -3.918 1.00 1.54 H new ATOM 0 HE ARG A 92 15.473 14.769 -3.552 1.00 2.30 H new ATOM 0 HH11 ARG A 92 13.119 17.214 -2.570 1.00 3.13 H new ATOM 0 HH12 ARG A 92 13.842 17.427 -0.972 1.00 3.13 H new ATOM 0 HH21 ARG A 92 16.385 15.046 -1.511 1.00 3.95 H new ATOM 0 HH22 ARG A 92 15.684 16.204 -0.375 1.00 3.95 H new ATOM 1463 N ASP A 93 9.032 14.306 -6.879 1.00 0.46 N ATOM 1464 CA ASP A 93 8.012 14.459 -7.915 1.00 0.53 C ATOM 1465 C ASP A 93 6.751 15.097 -7.339 1.00 0.50 C ATOM 1466 O ASP A 93 5.701 15.115 -7.977 1.00 0.60 O ATOM 1467 CB ASP A 93 7.683 13.086 -8.534 1.00 0.62 C ATOM 1468 CG ASP A 93 6.749 13.168 -9.727 1.00 0.90 C ATOM 1469 OD1 ASP A 93 7.097 13.855 -10.713 1.00 1.14 O ATOM 1470 OD2 ASP A 93 5.655 12.569 -9.675 1.00 1.11 O ATOM 0 H ASP A 93 8.907 13.488 -6.283 1.00 0.46 H new ATOM 0 HA ASP A 93 8.401 15.115 -8.693 1.00 0.53 H new ATOM 0 HB2 ASP A 93 8.611 12.603 -8.841 1.00 0.62 H new ATOM 0 HB3 ASP A 93 7.231 12.452 -7.772 1.00 0.62 H new ATOM 1475 N GLY A 94 6.854 15.651 -6.137 1.00 0.45 N ATOM 1476 CA GLY A 94 5.674 16.215 -5.514 1.00 0.47 C ATOM 1477 C GLY A 94 4.917 15.188 -4.705 1.00 0.39 C ATOM 1478 O GLY A 94 3.687 15.179 -4.727 1.00 0.42 O ATOM 0 H GLY A 94 7.714 15.719 -5.593 1.00 0.45 H new ATOM 0 HA2 GLY A 94 5.966 17.043 -4.868 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.019 16.626 -6.282 1.00 0.47 H new ATOM 1482 N VAL A 95 5.670 14.290 -4.052 1.00 0.32 N ATOM 1483 CA VAL A 95 5.121 13.134 -3.331 1.00 0.26 C ATOM 1484 C VAL A 95 3.732 13.390 -2.739 1.00 0.25 C ATOM 1485 O VAL A 95 3.554 14.168 -1.809 1.00 0.29 O ATOM 1486 CB VAL A 95 6.079 12.667 -2.203 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.439 13.814 -1.269 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.467 11.506 -1.425 1.00 0.33 C ATOM 0 H VAL A 95 6.688 14.348 -4.010 1.00 0.32 H new ATOM 0 HA VAL A 95 5.020 12.348 -4.080 1.00 0.26 H new ATOM 0 HB VAL A 95 7.001 12.321 -2.671 1.00 0.31 H new ATOM 0 HG11 VAL A 95 7.111 13.452 -0.491 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.932 14.604 -1.836 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.532 14.208 -0.811 1.00 0.40 H new ATOM 0 HG21 VAL A 95 6.154 11.193 -0.639 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.525 11.824 -0.979 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.285 10.671 -2.101 1.00 0.33 H new ATOM 1498 N ASN A 96 2.747 12.759 -3.347 1.00 0.24 N ATOM 1499 CA ASN A 96 1.391 12.743 -2.817 1.00 0.29 C ATOM 1500 C ASN A 96 1.061 11.334 -2.350 1.00 0.23 C ATOM 1501 O ASN A 96 1.907 10.442 -2.445 1.00 0.21 O ATOM 1502 CB ASN A 96 0.375 13.236 -3.859 1.00 0.41 C ATOM 1503 CG ASN A 96 0.146 14.740 -3.801 1.00 1.33 C ATOM 1504 OD1 ASN A 96 -0.936 15.224 -4.134 1.00 2.13 O ATOM 1505 ND2 ASN A 96 1.149 15.488 -3.373 1.00 2.00 N ATOM 0 H ASN A 96 2.860 12.243 -4.220 1.00 0.24 H new ATOM 0 HA ASN A 96 1.330 13.428 -1.971 1.00 0.29 H new ATOM 0 HB2 ASN A 96 0.724 12.965 -4.855 1.00 0.41 H new ATOM 0 HB3 ASN A 96 -0.574 12.723 -3.704 1.00 0.41 H new ATOM 0 HD21 ASN A 96 1.040 16.500 -3.311 1.00 2.00 H new ATOM 0 HD22 ASN A 96 2.032 15.053 -3.105 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.152 11.127 -1.853 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.537 9.833 -1.292 1.00 0.24 C ATOM 1514 C TRP A 97 -0.392 8.702 -2.315 1.00 0.25 C ATOM 1515 O TRP A 97 -0.067 7.573 -1.951 1.00 0.25 O ATOM 1516 CB TRP A 97 -1.967 9.887 -0.749 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.145 10.908 0.340 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.839 12.080 0.259 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.610 10.854 1.672 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.769 12.756 1.452 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.020 12.026 2.334 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.826 9.931 2.368 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.670 12.299 3.654 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.480 10.201 3.679 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -0.902 11.377 4.311 1.00 0.30 C ATOM 0 H TRP A 97 -0.886 11.835 -1.826 1.00 0.25 H new ATOM 0 HA TRP A 97 0.144 9.618 -0.469 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.652 10.113 -1.566 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.241 8.904 -0.366 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.367 12.426 -0.617 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.205 13.657 1.649 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.495 9.021 1.890 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -1.993 13.207 4.142 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.126 9.493 4.225 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.616 11.560 5.336 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.604 9.016 -3.591 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.460 8.019 -4.642 1.00 0.29 C ATOM 1538 C GLY A 98 0.971 7.531 -4.790 1.00 0.26 C ATOM 1539 O GLY A 98 1.204 6.381 -5.157 1.00 0.27 O ATOM 0 H GLY A 98 -0.873 9.944 -3.917 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -1.109 7.171 -4.425 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.796 8.443 -5.589 1.00 0.29 H new ATOM 1543 N ARG A 99 1.932 8.401 -4.491 1.00 0.26 N ATOM 1544 CA ARG A 99 3.345 8.022 -4.532 1.00 0.25 C ATOM 1545 C ARG A 99 3.632 6.994 -3.453 1.00 0.21 C ATOM 1546 O ARG A 99 4.442 6.093 -3.644 1.00 0.20 O ATOM 1547 CB ARG A 99 4.269 9.232 -4.332 1.00 0.30 C ATOM 1548 CG ARG A 99 4.577 10.033 -5.595 1.00 0.70 C ATOM 1549 CD ARG A 99 3.363 10.780 -6.123 1.00 1.40 C ATOM 1550 NE ARG A 99 3.721 11.696 -7.204 1.00 1.74 N ATOM 1551 CZ ARG A 99 2.916 12.642 -7.687 1.00 2.46 C ATOM 1552 NH1 ARG A 99 1.661 12.740 -7.262 1.00 3.06 N ATOM 1553 NH2 ARG A 99 3.361 13.467 -8.620 1.00 2.98 N ATOM 0 H ARG A 99 1.761 9.369 -4.219 1.00 0.26 H new ATOM 0 HA ARG A 99 3.543 7.603 -5.518 1.00 0.25 H new ATOM 0 HB2 ARG A 99 3.813 9.899 -3.600 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.209 8.884 -3.904 1.00 0.30 H new ATOM 0 HG2 ARG A 99 5.374 10.746 -5.384 1.00 0.70 H new ATOM 0 HG3 ARG A 99 4.949 9.359 -6.367 1.00 0.70 H new ATOM 0 HD2 ARG A 99 2.623 10.065 -6.482 1.00 1.40 H new ATOM 0 HD3 ARG A 99 2.898 11.339 -5.311 1.00 1.40 H new ATOM 0 HE ARG A 99 4.649 11.605 -7.617 1.00 1.74 H new ATOM 0 HH11 ARG A 99 1.308 12.089 -6.561 1.00 3.06 H new ATOM 0 HH12 ARG A 99 1.051 13.467 -7.636 1.00 3.06 H new ATOM 0 HH21 ARG A 99 4.316 13.377 -8.967 1.00 2.98 H new ATOM 0 HH22 ARG A 99 2.749 14.193 -8.993 1.00 2.98 H new ATOM 1567 N ILE A 100 2.953 7.137 -2.324 1.00 0.22 N ATOM 1568 CA ILE A 100 3.081 6.189 -1.233 1.00 0.21 C ATOM 1569 C ILE A 100 2.493 4.851 -1.652 1.00 0.20 C ATOM 1570 O ILE A 100 3.091 3.800 -1.429 1.00 0.19 O ATOM 1571 CB ILE A 100 2.375 6.708 0.039 1.00 0.24 C ATOM 1572 CG1 ILE A 100 3.041 8.003 0.517 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.394 5.653 1.134 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.545 8.486 1.861 1.00 0.30 C ATOM 0 H ILE A 100 2.306 7.904 -2.142 1.00 0.22 H new ATOM 0 HA ILE A 100 4.139 6.065 -1.001 1.00 0.21 H new ATOM 0 HB ILE A 100 1.333 6.921 -0.201 1.00 0.24 H new ATOM 0 HG12 ILE A 100 4.118 7.847 0.573 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.870 8.783 -0.225 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.892 6.040 2.021 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.878 4.758 0.786 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.426 5.404 1.381 1.00 0.24 H new ATOM 0 HD11 ILE A 100 3.063 9.406 2.131 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.473 8.676 1.807 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.741 7.725 2.616 1.00 0.30 H new ATOM 1586 N VAL A 101 1.328 4.908 -2.281 1.00 0.21 N ATOM 1587 CA VAL A 101 0.691 3.726 -2.831 1.00 0.21 C ATOM 1588 C VAL A 101 1.638 3.017 -3.785 1.00 0.20 C ATOM 1589 O VAL A 101 1.914 1.825 -3.638 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.590 4.098 -3.589 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.268 2.856 -4.125 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.527 4.878 -2.693 1.00 0.26 C ATOM 0 H VAL A 101 0.802 5.771 -2.423 1.00 0.21 H new ATOM 0 HA VAL A 101 0.437 3.066 -2.001 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.321 4.731 -4.435 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -2.175 3.139 -4.660 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.592 2.337 -4.805 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.526 2.196 -3.297 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.431 5.134 -3.246 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.791 4.271 -1.827 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -1.035 5.792 -2.359 1.00 0.26 H new ATOM 1602 N ALA A 102 2.135 3.771 -4.758 1.00 0.19 N ATOM 1603 CA ALA A 102 3.065 3.247 -5.739 1.00 0.19 C ATOM 1604 C ALA A 102 4.298 2.665 -5.059 1.00 0.17 C ATOM 1605 O ALA A 102 4.745 1.572 -5.401 1.00 0.19 O ATOM 1606 CB ALA A 102 3.457 4.339 -6.717 1.00 0.21 C ATOM 0 H ALA A 102 1.904 4.756 -4.885 1.00 0.19 H new ATOM 0 HA ALA A 102 2.575 2.443 -6.289 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.156 3.937 -7.450 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.567 4.707 -7.227 1.00 0.21 H new ATOM 0 HB3 ALA A 102 3.930 5.159 -6.177 1.00 0.21 H new ATOM 1612 N PHE A 103 4.821 3.392 -4.078 1.00 0.16 N ATOM 1613 CA PHE A 103 5.997 2.957 -3.324 1.00 0.17 C ATOM 1614 C PHE A 103 5.782 1.566 -2.730 1.00 0.17 C ATOM 1615 O PHE A 103 6.683 0.726 -2.749 1.00 0.21 O ATOM 1616 CB PHE A 103 6.316 3.969 -2.210 1.00 0.17 C ATOM 1617 CG PHE A 103 7.487 3.585 -1.342 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.786 3.779 -1.781 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.286 3.029 -0.086 1.00 0.17 C ATOM 1620 CE1 PHE A 103 9.859 3.425 -0.988 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.356 2.673 0.708 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.644 2.871 0.257 1.00 0.26 C ATOM 0 H PHE A 103 4.447 4.294 -3.782 1.00 0.16 H new ATOM 0 HA PHE A 103 6.843 2.906 -4.010 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.517 4.940 -2.663 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.435 4.088 -1.580 1.00 0.17 H new ATOM 0 HD1 PHE A 103 8.962 4.212 -2.755 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.280 2.873 0.274 1.00 0.17 H new ATOM 0 HE1 PHE A 103 10.867 3.582 -1.342 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.185 2.239 1.682 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.483 2.593 0.877 1.00 0.26 H new ATOM 1632 N PHE A 104 4.581 1.318 -2.231 1.00 0.16 N ATOM 1633 CA PHE A 104 4.262 0.031 -1.632 1.00 0.18 C ATOM 1634 C PHE A 104 4.054 -1.034 -2.702 1.00 0.19 C ATOM 1635 O PHE A 104 4.487 -2.177 -2.545 1.00 0.23 O ATOM 1636 CB PHE A 104 3.025 0.140 -0.737 1.00 0.19 C ATOM 1637 CG PHE A 104 3.318 0.678 0.638 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.759 1.981 0.797 1.00 0.24 C ATOM 1639 CD2 PHE A 104 3.161 -0.112 1.766 1.00 0.29 C ATOM 1640 CE1 PHE A 104 4.037 2.483 2.052 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.438 0.386 3.024 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.843 1.656 3.185 1.00 0.30 C ATOM 0 H PHE A 104 3.813 1.989 -2.229 1.00 0.16 H new ATOM 0 HA PHE A 104 5.109 -0.269 -1.014 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.293 0.786 -1.222 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.568 -0.845 -0.642 1.00 0.19 H new ATOM 0 HD1 PHE A 104 3.887 2.611 -0.071 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.818 -1.130 1.660 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.398 3.494 2.169 1.00 0.27 H new ATOM 0 HE2 PHE A 104 3.328 -0.253 3.888 1.00 0.33 H new ATOM 0 HZ PHE A 104 4.020 2.046 4.176 1.00 0.30 H new ATOM 1652 N SER A 105 3.410 -0.658 -3.800 1.00 0.18 N ATOM 1653 CA SER A 105 3.169 -1.596 -4.887 1.00 0.21 C ATOM 1654 C SER A 105 4.480 -1.999 -5.568 1.00 0.21 C ATOM 1655 O SER A 105 4.581 -3.091 -6.131 1.00 0.23 O ATOM 1656 CB SER A 105 2.182 -1.004 -5.900 1.00 0.25 C ATOM 1657 OG SER A 105 2.616 0.258 -6.373 1.00 1.04 O ATOM 0 H SER A 105 3.048 0.282 -3.960 1.00 0.18 H new ATOM 0 HA SER A 105 2.725 -2.498 -4.465 1.00 0.21 H new ATOM 0 HB2 SER A 105 2.068 -1.689 -6.740 1.00 0.25 H new ATOM 0 HB3 SER A 105 1.201 -0.902 -5.436 1.00 0.25 H new ATOM 0 HG SER A 105 3.485 0.475 -5.975 1.00 1.04 H new ATOM 1663 N PHE A 106 5.490 -1.127 -5.497 1.00 0.20 N ATOM 1664 CA PHE A 106 6.798 -1.430 -6.072 1.00 0.21 C ATOM 1665 C PHE A 106 7.412 -2.625 -5.365 1.00 0.22 C ATOM 1666 O PHE A 106 7.860 -3.571 -6.009 1.00 0.24 O ATOM 1667 CB PHE A 106 7.754 -0.234 -5.974 1.00 0.23 C ATOM 1668 CG PHE A 106 7.341 0.960 -6.786 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.594 0.811 -7.943 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.710 2.236 -6.393 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.219 1.910 -8.689 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.338 3.339 -7.136 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.591 3.175 -8.285 1.00 0.33 C ATOM 0 H PHE A 106 5.425 -0.213 -5.050 1.00 0.20 H new ATOM 0 HA PHE A 106 6.647 -1.658 -7.127 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.837 0.064 -4.929 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.746 -0.551 -6.295 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.301 -0.177 -8.265 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.295 2.370 -5.495 1.00 0.27 H new ATOM 0 HE1 PHE A 106 5.635 1.779 -9.588 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.631 4.329 -6.818 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.298 4.036 -8.867 1.00 0.33 H new ATOM 1683 N GLY A 107 7.413 -2.584 -4.036 1.00 0.23 N ATOM 1684 CA GLY A 107 7.946 -3.686 -3.262 1.00 0.27 C ATOM 1685 C GLY A 107 7.212 -4.977 -3.545 1.00 0.32 C ATOM 1686 O GLY A 107 7.813 -6.048 -3.559 1.00 0.37 O ATOM 0 H GLY A 107 7.054 -1.806 -3.483 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.004 -3.812 -3.490 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.874 -3.452 -2.200 1.00 0.27 H new ATOM 1690 N GLY A 108 5.908 -4.866 -3.783 1.00 0.33 N ATOM 1691 CA GLY A 108 5.097 -6.024 -4.120 1.00 0.41 C ATOM 1692 C GLY A 108 5.565 -6.714 -5.387 1.00 0.42 C ATOM 1693 O GLY A 108 5.346 -7.910 -5.570 1.00 0.63 O ATOM 0 H GLY A 108 5.394 -3.986 -3.748 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.122 -6.734 -3.293 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.059 -5.713 -4.242 1.00 0.41 H new ATOM 1697 N ALA A 109 6.208 -5.960 -6.263 1.00 0.27 N ATOM 1698 CA ALA A 109 6.787 -6.519 -7.472 1.00 0.26 C ATOM 1699 C ALA A 109 8.223 -6.959 -7.215 1.00 0.23 C ATOM 1700 O ALA A 109 8.643 -8.038 -7.637 1.00 0.24 O ATOM 1701 CB ALA A 109 6.733 -5.496 -8.594 1.00 0.29 C ATOM 0 H ALA A 109 6.342 -4.954 -6.158 1.00 0.27 H new ATOM 0 HA ALA A 109 6.209 -7.394 -7.771 1.00 0.26 H new ATOM 0 HB1 ALA A 109 7.169 -5.923 -9.497 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.696 -5.222 -8.787 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.295 -4.608 -8.304 1.00 0.29 H new ATOM 1707 N LEU A 110 8.954 -6.117 -6.492 1.00 0.22 N ATOM 1708 CA LEU A 110 10.353 -6.363 -6.177 1.00 0.23 C ATOM 1709 C LEU A 110 10.530 -7.671 -5.425 1.00 0.21 C ATOM 1710 O LEU A 110 11.387 -8.486 -5.768 1.00 0.21 O ATOM 1711 CB LEU A 110 10.896 -5.217 -5.329 1.00 0.25 C ATOM 1712 CG LEU A 110 10.880 -3.852 -6.000 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.339 -2.790 -5.024 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.757 -3.865 -7.238 1.00 0.36 C ATOM 0 H LEU A 110 8.591 -5.244 -6.108 1.00 0.22 H new ATOM 0 HA LEU A 110 10.903 -6.430 -7.116 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.314 -5.159 -4.409 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.921 -5.452 -5.043 1.00 0.25 H new ATOM 0 HG LEU A 110 9.861 -3.619 -6.308 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.324 -1.816 -5.513 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.671 -2.774 -4.163 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.353 -3.014 -4.692 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.737 -2.882 -7.709 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.781 -4.111 -6.956 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.385 -4.611 -7.940 1.00 0.36 H new ATOM 1726 N CYS A 111 9.714 -7.863 -4.395 1.00 0.21 N ATOM 1727 CA CYS A 111 9.807 -9.044 -3.550 1.00 0.21 C ATOM 1728 C CYS A 111 9.646 -10.317 -4.367 1.00 0.21 C ATOM 1729 O CYS A 111 10.233 -11.346 -4.053 1.00 0.25 O ATOM 1730 CB CYS A 111 8.755 -8.989 -2.441 1.00 0.22 C ATOM 1731 SG CYS A 111 7.056 -8.819 -3.029 1.00 1.34 S ATOM 0 H CYS A 111 8.977 -7.211 -4.125 1.00 0.21 H new ATOM 0 HA CYS A 111 10.798 -9.056 -3.096 1.00 0.21 H new ATOM 0 HB2 CYS A 111 8.830 -9.896 -1.841 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.984 -8.152 -1.782 1.00 0.22 H new ATOM 0 HG CYS A 111 6.830 -7.580 -3.351 1.00 1.34 H new ATOM 1737 N VAL A 112 8.864 -10.233 -5.429 1.00 0.19 N ATOM 1738 CA VAL A 112 8.614 -11.380 -6.277 1.00 0.20 C ATOM 1739 C VAL A 112 9.772 -11.606 -7.239 1.00 0.22 C ATOM 1740 O VAL A 112 10.362 -12.686 -7.273 1.00 0.25 O ATOM 1741 CB VAL A 112 7.318 -11.194 -7.077 1.00 0.23 C ATOM 1742 CG1 VAL A 112 7.094 -12.376 -8.001 1.00 0.27 C ATOM 1743 CG2 VAL A 112 6.138 -11.015 -6.138 1.00 0.25 C ATOM 0 H VAL A 112 8.391 -9.379 -5.723 1.00 0.19 H new ATOM 0 HA VAL A 112 8.513 -12.251 -5.630 1.00 0.20 H new ATOM 0 HB VAL A 112 7.410 -10.295 -7.687 1.00 0.23 H new ATOM 0 HG11 VAL A 112 6.171 -12.230 -8.562 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.931 -12.459 -8.695 1.00 0.27 H new ATOM 0 HG13 VAL A 112 7.019 -13.290 -7.411 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.226 -10.884 -6.721 1.00 0.25 H new ATOM 0 HG22 VAL A 112 6.040 -11.896 -5.504 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.299 -10.136 -5.514 1.00 0.25 H new ATOM 1753 N GLU A 113 10.093 -10.578 -8.016 1.00 0.22 N ATOM 1754 CA GLU A 113 11.123 -10.690 -9.043 1.00 0.25 C ATOM 1755 C GLU A 113 12.476 -11.072 -8.444 1.00 0.25 C ATOM 1756 O GLU A 113 13.283 -11.724 -9.099 1.00 0.30 O ATOM 1757 CB GLU A 113 11.245 -9.394 -9.846 1.00 0.29 C ATOM 1758 CG GLU A 113 11.709 -8.196 -9.037 1.00 0.30 C ATOM 1759 CD GLU A 113 11.791 -6.940 -9.875 1.00 0.39 C ATOM 1760 OE1 GLU A 113 10.741 -6.303 -10.092 1.00 0.51 O ATOM 1761 OE2 GLU A 113 12.901 -6.601 -10.344 1.00 0.50 O ATOM 0 H GLU A 113 9.656 -9.658 -7.955 1.00 0.22 H new ATOM 0 HA GLU A 113 10.816 -11.488 -9.719 1.00 0.25 H new ATOM 0 HB2 GLU A 113 11.943 -9.554 -10.668 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.277 -9.164 -10.291 1.00 0.29 H new ATOM 0 HG2 GLU A 113 11.023 -8.033 -8.206 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.687 -8.408 -8.605 1.00 0.30 H new ATOM 1768 N SER A 114 12.713 -10.685 -7.196 1.00 0.23 N ATOM 1769 CA SER A 114 13.958 -11.027 -6.527 1.00 0.28 C ATOM 1770 C SER A 114 14.021 -12.527 -6.258 1.00 0.27 C ATOM 1771 O SER A 114 15.080 -13.145 -6.367 1.00 0.31 O ATOM 1772 CB SER A 114 14.106 -10.232 -5.227 1.00 0.33 C ATOM 1773 OG SER A 114 12.929 -10.301 -4.448 1.00 0.99 O ATOM 0 H SER A 114 12.063 -10.138 -6.632 1.00 0.23 H new ATOM 0 HA SER A 114 14.789 -10.762 -7.181 1.00 0.28 H new ATOM 0 HB2 SER A 114 14.948 -10.621 -4.654 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.332 -9.191 -5.458 1.00 0.33 H new ATOM 0 HG SER A 114 12.316 -9.586 -4.718 1.00 0.99 H new ATOM 1779 N VAL A 115 12.872 -13.111 -5.938 1.00 0.28 N ATOM 1780 CA VAL A 115 12.769 -14.546 -5.732 1.00 0.33 C ATOM 1781 C VAL A 115 12.993 -15.280 -7.049 1.00 0.37 C ATOM 1782 O VAL A 115 13.696 -16.293 -7.098 1.00 0.42 O ATOM 1783 CB VAL A 115 11.394 -14.927 -5.155 1.00 0.40 C ATOM 1784 CG1 VAL A 115 11.268 -16.433 -5.011 1.00 0.45 C ATOM 1785 CG2 VAL A 115 11.181 -14.246 -3.817 1.00 0.41 C ATOM 0 H VAL A 115 11.994 -12.606 -5.815 1.00 0.28 H new ATOM 0 HA VAL A 115 13.536 -14.839 -5.016 1.00 0.33 H new ATOM 0 HB VAL A 115 10.624 -14.587 -5.847 1.00 0.40 H new ATOM 0 HG11 VAL A 115 10.288 -16.679 -4.601 1.00 0.45 H new ATOM 0 HG12 VAL A 115 11.381 -16.903 -5.988 1.00 0.45 H new ATOM 0 HG13 VAL A 115 12.044 -16.801 -4.340 1.00 0.45 H new ATOM 0 HG21 VAL A 115 10.205 -14.523 -3.419 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.959 -14.560 -3.121 1.00 0.41 H new ATOM 0 HG23 VAL A 115 11.226 -13.165 -3.948 1.00 0.41 H new ATOM 1795 N ASP A 116 12.399 -14.752 -8.115 1.00 0.38 N ATOM 1796 CA ASP A 116 12.592 -15.298 -9.458 1.00 0.46 C ATOM 1797 C ASP A 116 14.065 -15.273 -9.856 1.00 0.47 C ATOM 1798 O ASP A 116 14.523 -16.108 -10.636 1.00 0.56 O ATOM 1799 CB ASP A 116 11.776 -14.515 -10.491 1.00 0.49 C ATOM 1800 CG ASP A 116 10.296 -14.830 -10.437 1.00 1.08 C ATOM 1801 OD1 ASP A 116 9.895 -15.896 -10.950 1.00 1.23 O ATOM 1802 OD2 ASP A 116 9.523 -14.009 -9.905 1.00 1.89 O ATOM 0 H ASP A 116 11.778 -13.944 -8.076 1.00 0.38 H new ATOM 0 HA ASP A 116 12.247 -16.332 -9.439 1.00 0.46 H new ATOM 0 HB2 ASP A 116 11.921 -13.447 -10.327 1.00 0.49 H new ATOM 0 HB3 ASP A 116 12.153 -14.738 -11.489 1.00 0.49 H new ATOM 1807 N LYS A 117 14.806 -14.316 -9.311 1.00 0.43 N ATOM 1808 CA LYS A 117 16.233 -14.196 -9.598 1.00 0.49 C ATOM 1809 C LYS A 117 17.056 -14.963 -8.565 1.00 0.47 C ATOM 1810 O LYS A 117 18.275 -14.804 -8.493 1.00 0.52 O ATOM 1811 CB LYS A 117 16.663 -12.725 -9.615 1.00 0.53 C ATOM 1812 CG LYS A 117 15.859 -11.860 -10.572 1.00 0.61 C ATOM 1813 CD LYS A 117 16.308 -10.409 -10.519 1.00 1.20 C ATOM 1814 CE LYS A 117 15.234 -9.468 -11.049 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.746 -9.867 -12.397 1.00 1.90 N ATOM 0 H LYS A 117 14.444 -13.612 -8.668 1.00 0.43 H new ATOM 0 HA LYS A 117 16.413 -14.625 -10.584 1.00 0.49 H new ATOM 0 HB2 LYS A 117 16.571 -12.318 -8.608 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.717 -12.668 -9.887 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.969 -12.240 -11.588 1.00 0.61 H new ATOM 0 HG3 LYS A 117 14.800 -11.924 -10.321 1.00 0.61 H new ATOM 0 HD2 LYS A 117 16.552 -10.141 -9.491 1.00 1.20 H new ATOM 0 HD3 LYS A 117 17.219 -10.288 -11.105 1.00 1.20 H new ATOM 0 HE2 LYS A 117 14.395 -9.449 -10.353 1.00 1.32 H new ATOM 0 HE3 LYS A 117 15.633 -8.455 -11.095 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 14.189 -9.091 -12.808 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 15.558 -10.074 -13.013 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 14.150 -10.715 -12.313 1.00 1.90 H new ATOM 1829 N GLU A 118 16.372 -15.782 -7.764 1.00 0.45 N ATOM 1830 CA GLU A 118 17.020 -16.633 -6.767 1.00 0.49 C ATOM 1831 C GLU A 118 17.743 -15.803 -5.711 1.00 0.45 C ATOM 1832 O GLU A 118 18.747 -16.229 -5.142 1.00 0.55 O ATOM 1833 CB GLU A 118 17.984 -17.609 -7.446 1.00 0.59 C ATOM 1834 CG GLU A 118 17.288 -18.574 -8.390 1.00 1.07 C ATOM 1835 CD GLU A 118 18.253 -19.493 -9.102 1.00 1.72 C ATOM 1836 OE1 GLU A 118 18.747 -19.121 -10.187 1.00 2.54 O ATOM 1837 OE2 GLU A 118 18.531 -20.594 -8.579 1.00 1.89 O ATOM 0 H GLU A 118 15.356 -15.873 -7.789 1.00 0.45 H new ATOM 0 HA GLU A 118 16.245 -17.206 -6.259 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.733 -17.044 -8.001 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.515 -18.177 -6.682 1.00 0.59 H new ATOM 0 HG2 GLU A 118 16.571 -19.172 -7.828 1.00 1.07 H new ATOM 0 HG3 GLU A 118 16.721 -18.008 -9.128 1.00 1.07 H new ATOM 1844 N MET A 119 17.207 -14.625 -5.437 1.00 0.35 N ATOM 1845 CA MET A 119 17.756 -13.752 -4.413 1.00 0.33 C ATOM 1846 C MET A 119 16.799 -13.703 -3.229 1.00 0.31 C ATOM 1847 O MET A 119 16.182 -12.674 -2.944 1.00 0.27 O ATOM 1848 CB MET A 119 17.994 -12.347 -4.972 1.00 0.34 C ATOM 1849 CG MET A 119 18.865 -12.331 -6.216 1.00 0.41 C ATOM 1850 SD MET A 119 19.171 -10.668 -6.841 1.00 0.47 S ATOM 1851 CE MET A 119 17.499 -10.043 -6.981 1.00 0.44 C ATOM 0 H MET A 119 16.387 -14.250 -5.913 1.00 0.35 H new ATOM 0 HA MET A 119 18.717 -14.147 -4.083 1.00 0.33 H new ATOM 0 HB2 MET A 119 17.033 -11.889 -5.205 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.461 -11.733 -4.203 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.818 -12.810 -5.992 1.00 0.41 H new ATOM 0 HG3 MET A 119 18.386 -12.924 -6.996 1.00 0.41 H new ATOM 0 HE1 MET A 119 17.505 -9.113 -7.550 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.878 -10.778 -7.493 1.00 0.44 H new ATOM 0 HE3 MET A 119 17.095 -9.857 -5.986 1.00 0.44 H new ATOM 1861 N GLN A 120 16.684 -14.834 -2.547 1.00 0.36 N ATOM 1862 CA GLN A 120 15.714 -15.002 -1.468 1.00 0.39 C ATOM 1863 C GLN A 120 16.115 -14.239 -0.210 1.00 0.41 C ATOM 1864 O GLN A 120 15.346 -14.167 0.746 1.00 0.47 O ATOM 1865 CB GLN A 120 15.534 -16.483 -1.145 1.00 0.49 C ATOM 1866 CG GLN A 120 14.847 -17.274 -2.252 1.00 0.53 C ATOM 1867 CD GLN A 120 14.747 -18.753 -1.932 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.712 -19.146 -0.765 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.674 -19.582 -2.962 1.00 0.70 N ATOM 0 H GLN A 120 17.257 -15.659 -2.723 1.00 0.36 H new ATOM 0 HA GLN A 120 14.768 -14.587 -1.816 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.511 -16.924 -0.949 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.952 -16.577 -0.228 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.847 -16.872 -2.414 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.398 -17.143 -3.183 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.706 -19.217 -3.914 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.585 -20.586 -2.804 1.00 0.70 H new ATOM 1878 N VAL A 121 17.313 -13.682 -0.196 1.00 0.39 N ATOM 1879 CA VAL A 121 17.715 -12.827 0.909 1.00 0.44 C ATOM 1880 C VAL A 121 17.341 -11.376 0.628 1.00 0.38 C ATOM 1881 O VAL A 121 17.130 -10.587 1.548 1.00 0.47 O ATOM 1882 CB VAL A 121 19.222 -12.927 1.209 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.582 -14.335 1.650 1.00 0.98 C ATOM 1884 CG2 VAL A 121 20.050 -12.509 0.005 1.00 0.92 C ATOM 0 H VAL A 121 18.016 -13.803 -0.925 1.00 0.39 H new ATOM 0 HA VAL A 121 17.178 -13.178 1.790 1.00 0.44 H new ATOM 0 HB VAL A 121 19.452 -12.240 2.024 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.651 -14.389 1.858 1.00 0.98 H new ATOM 0 HG12 VAL A 121 19.023 -14.588 2.551 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.331 -15.040 0.858 1.00 0.98 H new ATOM 0 HG21 VAL A 121 21.110 -12.590 0.246 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.819 -13.159 -0.839 1.00 0.92 H new ATOM 0 HG23 VAL A 121 19.815 -11.477 -0.258 1.00 0.92 H new ATOM 1894 N LEU A 122 17.227 -11.037 -0.651 1.00 0.30 N ATOM 1895 CA LEU A 122 16.891 -9.678 -1.046 1.00 0.27 C ATOM 1896 C LEU A 122 15.421 -9.385 -0.821 1.00 0.23 C ATOM 1897 O LEU A 122 15.063 -8.265 -0.480 1.00 0.23 O ATOM 1898 CB LEU A 122 17.263 -9.407 -2.505 1.00 0.28 C ATOM 1899 CG LEU A 122 18.697 -8.928 -2.730 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.694 -10.025 -2.402 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.872 -8.455 -4.158 1.00 0.41 C ATOM 0 H LEU A 122 17.362 -11.683 -1.428 1.00 0.30 H new ATOM 0 HA LEU A 122 17.478 -9.011 -0.414 1.00 0.27 H new ATOM 0 HB2 LEU A 122 17.107 -10.320 -3.079 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.579 -8.658 -2.905 1.00 0.28 H new ATOM 0 HG LEU A 122 18.889 -8.091 -2.059 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.707 -9.659 -2.570 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.583 -10.317 -1.358 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.509 -10.888 -3.042 1.00 0.39 H new ATOM 0 HD21 LEU A 122 19.897 -8.116 -4.306 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.659 -9.276 -4.842 1.00 0.41 H new ATOM 0 HD23 LEU A 122 18.186 -7.631 -4.355 1.00 0.41 H new ATOM 1913 N VAL A 123 14.574 -10.395 -0.989 1.00 0.23 N ATOM 1914 CA VAL A 123 13.139 -10.224 -0.789 1.00 0.25 C ATOM 1915 C VAL A 123 12.837 -9.713 0.622 1.00 0.27 C ATOM 1916 O VAL A 123 11.985 -8.843 0.812 1.00 0.31 O ATOM 1917 CB VAL A 123 12.362 -11.532 -1.063 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.902 -12.685 -0.237 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.883 -11.335 -0.791 1.00 0.31 C ATOM 0 H VAL A 123 14.854 -11.337 -1.262 1.00 0.23 H new ATOM 0 HA VAL A 123 12.803 -9.478 -1.509 1.00 0.25 H new ATOM 0 HB VAL A 123 12.498 -11.784 -2.115 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.332 -13.588 -0.456 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.951 -12.850 -0.484 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.812 -12.447 0.823 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.350 -12.265 -0.989 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.740 -11.049 0.251 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.495 -10.550 -1.440 1.00 0.31 H new ATOM 1929 N SER A 124 13.567 -10.230 1.598 1.00 0.29 N ATOM 1930 CA SER A 124 13.389 -9.814 2.979 1.00 0.35 C ATOM 1931 C SER A 124 13.992 -8.425 3.192 1.00 0.34 C ATOM 1932 O SER A 124 13.451 -7.608 3.937 1.00 0.44 O ATOM 1933 CB SER A 124 14.028 -10.835 3.930 1.00 0.43 C ATOM 1934 OG SER A 124 13.739 -10.535 5.285 1.00 1.32 O ATOM 0 H SER A 124 14.288 -10.938 1.459 1.00 0.29 H new ATOM 0 HA SER A 124 12.322 -9.765 3.198 1.00 0.35 H new ATOM 0 HB2 SER A 124 13.663 -11.834 3.692 1.00 0.43 H new ATOM 0 HB3 SER A 124 15.108 -10.846 3.781 1.00 0.43 H new ATOM 0 HG SER A 124 14.159 -11.204 5.865 1.00 1.32 H new ATOM 1940 N ARG A 125 15.098 -8.149 2.502 1.00 0.28 N ATOM 1941 CA ARG A 125 15.769 -6.859 2.625 1.00 0.31 C ATOM 1942 C ARG A 125 14.936 -5.761 1.972 1.00 0.24 C ATOM 1943 O ARG A 125 14.986 -4.606 2.387 1.00 0.24 O ATOM 1944 CB ARG A 125 17.170 -6.906 1.996 1.00 0.41 C ATOM 1945 CG ARG A 125 18.138 -7.856 2.701 1.00 0.91 C ATOM 1946 CD ARG A 125 19.517 -7.873 2.045 1.00 0.74 C ATOM 1947 NE ARG A 125 20.398 -8.866 2.656 1.00 1.01 N ATOM 1948 CZ ARG A 125 21.724 -8.878 2.522 1.00 1.24 C ATOM 1949 NH1 ARG A 125 22.342 -7.916 1.847 1.00 1.28 N ATOM 1950 NH2 ARG A 125 22.432 -9.845 3.088 1.00 1.84 N ATOM 0 H ARG A 125 15.545 -8.799 1.856 1.00 0.28 H new ATOM 0 HA ARG A 125 15.877 -6.635 3.686 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.078 -7.206 0.952 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.594 -5.902 2.003 1.00 0.41 H new ATOM 0 HG2 ARG A 125 18.239 -7.559 3.745 1.00 0.91 H new ATOM 0 HG3 ARG A 125 17.723 -8.864 2.695 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.411 -8.087 0.982 1.00 0.74 H new ATOM 0 HD3 ARG A 125 19.971 -6.885 2.127 1.00 0.74 H new ATOM 0 HE ARG A 125 19.970 -9.598 3.222 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.802 -7.160 1.426 1.00 1.28 H new ATOM 0 HH12 ARG A 125 23.357 -7.933 1.749 1.00 1.28 H new ATOM 0 HH21 ARG A 125 21.962 -10.575 3.623 1.00 1.84 H new ATOM 0 HH22 ARG A 125 23.447 -9.859 2.989 1.00 1.84 H new ATOM 1964 N ILE A 126 14.167 -6.138 0.956 1.00 0.21 N ATOM 1965 CA ILE A 126 13.258 -5.219 0.283 1.00 0.19 C ATOM 1966 C ILE A 126 12.297 -4.587 1.280 1.00 0.19 C ATOM 1967 O ILE A 126 12.142 -3.364 1.319 1.00 0.19 O ATOM 1968 CB ILE A 126 12.473 -5.953 -0.822 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.401 -6.240 -2.001 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.264 -5.148 -1.272 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.785 -7.119 -3.057 1.00 0.23 C ATOM 0 H ILE A 126 14.156 -7.085 0.578 1.00 0.21 H new ATOM 0 HA ILE A 126 13.850 -4.427 -0.175 1.00 0.19 H new ATOM 0 HB ILE A 126 12.102 -6.895 -0.418 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.699 -5.295 -2.456 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.309 -6.715 -1.630 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.733 -5.694 -2.052 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.598 -4.987 -0.424 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.593 -4.185 -1.663 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.503 -7.279 -3.862 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.513 -8.079 -2.618 1.00 0.23 H new ATOM 0 HD13 ILE A 126 11.893 -6.637 -3.457 1.00 0.23 H new ATOM 1983 N ALA A 127 11.665 -5.427 2.091 1.00 0.22 N ATOM 1984 CA ALA A 127 10.760 -4.956 3.127 1.00 0.25 C ATOM 1985 C ALA A 127 11.462 -3.981 4.061 1.00 0.24 C ATOM 1986 O ALA A 127 10.884 -2.981 4.484 1.00 0.26 O ATOM 1987 CB ALA A 127 10.207 -6.130 3.915 1.00 0.30 C ATOM 0 H ALA A 127 11.765 -6.441 2.049 1.00 0.22 H new ATOM 0 HA ALA A 127 9.935 -4.432 2.645 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.531 -5.764 4.687 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.664 -6.796 3.244 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.028 -6.675 4.380 1.00 0.30 H new ATOM 1993 N ALA A 128 12.718 -4.276 4.362 1.00 0.22 N ATOM 1994 CA ALA A 128 13.514 -3.433 5.237 1.00 0.23 C ATOM 1995 C ALA A 128 13.809 -2.087 4.584 1.00 0.19 C ATOM 1996 O ALA A 128 13.662 -1.043 5.215 1.00 0.19 O ATOM 1997 CB ALA A 128 14.801 -4.140 5.613 1.00 0.27 C ATOM 0 H ALA A 128 13.209 -5.098 4.010 1.00 0.22 H new ATOM 0 HA ALA A 128 12.941 -3.243 6.144 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.390 -3.499 6.269 1.00 0.27 H new ATOM 0 HB2 ALA A 128 14.567 -5.071 6.130 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.373 -4.359 4.711 1.00 0.27 H new ATOM 2003 N TRP A 129 14.208 -2.111 3.316 1.00 0.17 N ATOM 2004 CA TRP A 129 14.520 -0.879 2.591 1.00 0.17 C ATOM 2005 C TRP A 129 13.288 0.004 2.475 1.00 0.15 C ATOM 2006 O TRP A 129 13.368 1.223 2.647 1.00 0.18 O ATOM 2007 CB TRP A 129 15.068 -1.171 1.192 1.00 0.20 C ATOM 2008 CG TRP A 129 16.321 -1.984 1.198 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.336 -1.920 2.107 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.698 -2.978 0.243 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.319 -2.820 1.778 1.00 0.33 N ATOM 2012 CE2 TRP A 129 17.950 -3.480 0.637 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.095 -3.493 -0.907 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.609 -4.474 -0.080 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.749 -4.479 -1.617 1.00 0.47 C ATOM 2016 CH2 TRP A 129 17.996 -4.961 -1.201 1.00 0.50 C ATOM 0 H TRP A 129 14.323 -2.964 2.769 1.00 0.17 H new ATOM 0 HA TRP A 129 15.288 -0.357 3.162 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.307 -1.696 0.615 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.260 -0.227 0.682 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.362 -1.258 2.960 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.183 -2.972 2.299 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.134 -3.126 -1.235 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.571 -4.848 0.238 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.292 -4.885 -2.507 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.484 -5.733 -1.777 1.00 0.50 H new ATOM 2027 N MET A 130 12.147 -0.614 2.192 1.00 0.16 N ATOM 2028 CA MET A 130 10.898 0.125 2.090 1.00 0.21 C ATOM 2029 C MET A 130 10.549 0.741 3.432 1.00 0.19 C ATOM 2030 O MET A 130 10.161 1.903 3.508 1.00 0.21 O ATOM 2031 CB MET A 130 9.754 -0.774 1.625 1.00 0.29 C ATOM 2032 CG MET A 130 9.853 -1.220 0.177 1.00 0.33 C ATOM 2033 SD MET A 130 8.460 -2.250 -0.315 1.00 0.71 S ATOM 2034 CE MET A 130 7.095 -1.158 0.075 1.00 0.29 C ATOM 0 H MET A 130 12.063 -1.618 2.030 1.00 0.16 H new ATOM 0 HA MET A 130 11.035 0.912 1.349 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.721 -1.657 2.263 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.812 -0.244 1.765 1.00 0.29 H new ATOM 0 HG2 MET A 130 9.900 -0.343 -0.469 1.00 0.33 H new ATOM 0 HG3 MET A 130 10.781 -1.773 0.032 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.157 -1.628 -0.222 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.080 -0.963 1.147 1.00 0.29 H new ATOM 0 HE3 MET A 130 7.216 -0.218 -0.463 1.00 0.29 H new ATOM 2044 N ALA A 131 10.714 -0.045 4.489 1.00 0.18 N ATOM 2045 CA ALA A 131 10.436 0.416 5.838 1.00 0.20 C ATOM 2046 C ALA A 131 11.346 1.576 6.213 1.00 0.21 C ATOM 2047 O ALA A 131 10.891 2.579 6.753 1.00 0.23 O ATOM 2048 CB ALA A 131 10.600 -0.726 6.824 1.00 0.23 C ATOM 0 H ALA A 131 11.041 -1.010 4.434 1.00 0.18 H new ATOM 0 HA ALA A 131 9.405 0.769 5.875 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.389 -0.369 7.832 1.00 0.23 H new ATOM 0 HB2 ALA A 131 9.907 -1.528 6.570 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.622 -1.102 6.778 1.00 0.23 H new ATOM 2054 N THR A 132 12.629 1.437 5.908 1.00 0.22 N ATOM 2055 CA THR A 132 13.602 2.481 6.195 1.00 0.25 C ATOM 2056 C THR A 132 13.222 3.785 5.495 1.00 0.24 C ATOM 2057 O THR A 132 13.115 4.829 6.138 1.00 0.25 O ATOM 2058 CB THR A 132 15.023 2.051 5.771 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.381 0.829 6.436 1.00 0.33 O ATOM 2060 CG2 THR A 132 16.040 3.128 6.115 1.00 0.37 C ATOM 0 H THR A 132 13.021 0.608 5.460 1.00 0.22 H new ATOM 0 HA THR A 132 13.598 2.646 7.272 1.00 0.25 H new ATOM 0 HB THR A 132 15.026 1.899 4.692 1.00 0.31 H new ATOM 0 HG1 THR A 132 14.846 0.091 6.075 1.00 0.33 H new ATOM 0 HG21 THR A 132 17.033 2.802 5.807 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.783 4.051 5.595 1.00 0.37 H new ATOM 0 HG23 THR A 132 16.033 3.304 7.191 1.00 0.37 H new ATOM 2068 N TYR A 133 12.997 3.724 4.186 1.00 0.23 N ATOM 2069 CA TYR A 133 12.627 4.914 3.425 1.00 0.24 C ATOM 2070 C TYR A 133 11.303 5.481 3.937 1.00 0.21 C ATOM 2071 O TYR A 133 11.154 6.697 4.093 1.00 0.23 O ATOM 2072 CB TYR A 133 12.520 4.592 1.931 1.00 0.27 C ATOM 2073 CG TYR A 133 12.178 5.792 1.073 1.00 0.33 C ATOM 2074 CD1 TYR A 133 10.857 6.139 0.825 1.00 0.36 C ATOM 2075 CD2 TYR A 133 13.179 6.577 0.511 1.00 0.42 C ATOM 2076 CE1 TYR A 133 10.541 7.235 0.043 1.00 0.45 C ATOM 2077 CE2 TYR A 133 12.872 7.673 -0.272 1.00 0.50 C ATOM 2078 CZ TYR A 133 11.547 7.995 -0.505 1.00 0.51 C ATOM 2079 OH TYR A 133 11.244 9.089 -1.279 1.00 0.61 O ATOM 0 H TYR A 133 13.064 2.870 3.633 1.00 0.23 H new ATOM 0 HA TYR A 133 13.408 5.662 3.561 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.466 4.171 1.590 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.759 3.825 1.787 1.00 0.27 H new ATOM 0 HD1 TYR A 133 10.063 5.543 1.250 1.00 0.36 H new ATOM 0 HD2 TYR A 133 14.214 6.326 0.690 1.00 0.42 H new ATOM 0 HE1 TYR A 133 9.508 7.493 -0.137 1.00 0.45 H new ATOM 0 HE2 TYR A 133 13.661 8.274 -0.699 1.00 0.50 H new ATOM 0 HH TYR A 133 11.224 8.826 -2.223 1.00 0.61 H new ATOM 2089 N LEU A 134 10.356 4.593 4.208 1.00 0.20 N ATOM 2090 CA LEU A 134 9.046 4.980 4.709 1.00 0.20 C ATOM 2091 C LEU A 134 9.160 5.672 6.065 1.00 0.21 C ATOM 2092 O LEU A 134 8.505 6.674 6.306 1.00 0.24 O ATOM 2093 CB LEU A 134 8.148 3.741 4.796 1.00 0.20 C ATOM 2094 CG LEU A 134 6.854 3.886 5.600 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.987 4.999 5.044 1.00 0.26 C ATOM 2096 CD2 LEU A 134 6.088 2.573 5.592 1.00 0.26 C ATOM 0 H LEU A 134 10.475 3.587 4.087 1.00 0.20 H new ATOM 0 HA LEU A 134 8.598 5.694 4.018 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.887 3.438 3.782 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.730 2.929 5.231 1.00 0.20 H new ATOM 0 HG LEU A 134 7.117 4.143 6.626 1.00 0.22 H new ATOM 0 HD11 LEU A 134 5.075 5.079 5.635 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.532 5.942 5.089 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.730 4.777 4.008 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.168 2.685 6.166 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.844 2.301 4.565 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.702 1.791 6.039 1.00 0.26 H new ATOM 2108 N ASN A 135 10.012 5.156 6.932 1.00 0.24 N ATOM 2109 CA ASN A 135 10.167 5.710 8.273 1.00 0.29 C ATOM 2110 C ASN A 135 11.049 6.954 8.279 1.00 0.30 C ATOM 2111 O ASN A 135 10.828 7.876 9.062 1.00 0.33 O ATOM 2112 CB ASN A 135 10.745 4.660 9.222 1.00 0.37 C ATOM 2113 CG ASN A 135 9.726 3.600 9.594 1.00 0.92 C ATOM 2114 OD1 ASN A 135 8.528 3.871 9.640 1.00 1.17 O ATOM 2115 ND2 ASN A 135 10.187 2.390 9.873 1.00 1.46 N ATOM 0 H ASN A 135 10.610 4.353 6.735 1.00 0.24 H new ATOM 0 HA ASN A 135 9.175 6.003 8.616 1.00 0.29 H new ATOM 0 HB2 ASN A 135 11.607 4.184 8.753 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.104 5.150 10.127 1.00 0.37 H new ATOM 0 HD21 ASN A 135 9.541 1.646 10.137 1.00 1.46 H new ATOM 0 HD22 ASN A 135 11.188 2.202 9.824 1.00 1.46 H new ATOM 2122 N ASP A 136 12.041 6.987 7.408 1.00 0.32 N ATOM 2123 CA ASP A 136 13.002 8.086 7.399 1.00 0.37 C ATOM 2124 C ASP A 136 12.544 9.247 6.518 1.00 0.34 C ATOM 2125 O ASP A 136 12.449 10.381 6.980 1.00 0.36 O ATOM 2126 CB ASP A 136 14.377 7.592 6.943 1.00 0.46 C ATOM 2127 CG ASP A 136 15.365 8.722 6.757 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.878 9.236 7.769 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.630 9.111 5.603 1.00 2.07 O ATOM 0 H ASP A 136 12.206 6.272 6.700 1.00 0.32 H new ATOM 0 HA ASP A 136 13.072 8.457 8.421 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.769 6.888 7.677 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.271 7.048 6.005 1.00 0.46 H new ATOM 2134 N HIS A 137 12.254 8.965 5.255 1.00 0.33 N ATOM 2135 CA HIS A 137 11.935 10.023 4.294 1.00 0.35 C ATOM 2136 C HIS A 137 10.441 10.321 4.252 1.00 0.29 C ATOM 2137 O HIS A 137 10.031 11.479 4.178 1.00 0.32 O ATOM 2138 CB HIS A 137 12.398 9.637 2.881 1.00 0.45 C ATOM 2139 CG HIS A 137 13.765 10.129 2.510 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.911 9.803 3.204 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.166 10.916 1.483 1.00 1.53 C ATOM 2142 CE1 HIS A 137 15.951 10.364 2.619 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.528 11.045 1.572 1.00 1.34 N ATOM 0 H HIS A 137 12.232 8.021 4.870 1.00 0.33 H new ATOM 0 HA HIS A 137 12.464 10.916 4.628 1.00 0.35 H new ATOM 0 HB2 HIS A 137 12.382 8.551 2.793 1.00 0.45 H new ATOM 0 HB3 HIS A 137 11.679 10.026 2.160 1.00 0.45 H new ATOM 0 HD1 HIS A 137 14.948 9.219 4.039 1.00 1.07 H new ATOM 0 HD2 HIS A 137 13.530 11.360 0.732 1.00 1.53 H new ATOM 0 HE1 HIS A 137 16.978 10.280 2.943 1.00 0.95 H new ATOM 2152 N LEU A 138 9.636 9.275 4.309 1.00 0.26 N ATOM 2153 CA LEU A 138 8.215 9.386 4.017 1.00 0.25 C ATOM 2154 C LEU A 138 7.396 9.748 5.260 1.00 0.24 C ATOM 2155 O LEU A 138 6.464 10.549 5.183 1.00 0.25 O ATOM 2156 CB LEU A 138 7.737 8.066 3.416 1.00 0.23 C ATOM 2157 CG LEU A 138 6.384 8.106 2.713 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.391 9.154 1.612 1.00 0.26 C ATOM 2159 CD2 LEU A 138 6.062 6.736 2.142 1.00 0.22 C ATOM 0 H LEU A 138 9.943 8.334 4.556 1.00 0.26 H new ATOM 0 HA LEU A 138 8.066 10.197 3.304 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.486 7.722 2.702 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.690 7.323 4.212 1.00 0.23 H new ATOM 0 HG LEU A 138 5.615 8.376 3.437 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.419 9.171 1.119 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.596 10.134 2.044 1.00 0.26 H new ATOM 0 HD13 LEU A 138 7.163 8.910 0.882 1.00 0.26 H new ATOM 0 HD21 LEU A 138 5.095 6.769 1.641 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.832 6.450 1.426 1.00 0.22 H new ATOM 0 HD23 LEU A 138 6.028 6.004 2.949 1.00 0.22 H new ATOM 2171 N GLU A 139 7.758 9.158 6.397 1.00 0.26 N ATOM 2172 CA GLU A 139 7.047 9.362 7.664 1.00 0.29 C ATOM 2173 C GLU A 139 6.827 10.850 7.985 1.00 0.30 C ATOM 2174 O GLU A 139 5.705 11.233 8.330 1.00 0.30 O ATOM 2175 CB GLU A 139 7.793 8.661 8.815 1.00 0.36 C ATOM 2176 CG GLU A 139 7.062 8.690 10.154 1.00 0.52 C ATOM 2177 CD GLU A 139 7.834 7.995 11.263 1.00 1.00 C ATOM 2178 OE1 GLU A 139 8.793 8.594 11.796 1.00 1.74 O ATOM 2179 OE2 GLU A 139 7.473 6.854 11.627 1.00 1.46 O ATOM 0 H GLU A 139 8.553 8.523 6.469 1.00 0.26 H new ATOM 0 HA GLU A 139 6.059 8.915 7.554 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.972 7.623 8.536 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.769 9.131 8.938 1.00 0.36 H new ATOM 0 HG2 GLU A 139 6.878 9.726 10.440 1.00 0.52 H new ATOM 0 HG3 GLU A 139 6.088 8.213 10.041 1.00 0.52 H new ATOM 2186 N PRO A 140 7.865 11.720 7.880 1.00 0.33 N ATOM 2187 CA PRO A 140 7.695 13.158 8.127 1.00 0.36 C ATOM 2188 C PRO A 140 6.587 13.776 7.272 1.00 0.31 C ATOM 2189 O PRO A 140 5.753 14.520 7.785 1.00 0.36 O ATOM 2190 CB PRO A 140 9.054 13.758 7.760 1.00 0.42 C ATOM 2191 CG PRO A 140 10.018 12.640 7.933 1.00 0.42 C ATOM 2192 CD PRO A 140 9.270 11.391 7.553 1.00 0.35 C ATOM 0 HA PRO A 140 7.397 13.353 9.157 1.00 0.36 H new ATOM 0 HB2 PRO A 140 9.059 14.130 6.736 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.303 14.600 8.406 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.895 12.778 7.300 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.373 12.585 8.962 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.392 11.156 6.496 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.621 10.526 8.115 1.00 0.35 H new ATOM 2200 N TRP A 141 6.560 13.447 5.978 1.00 0.28 N ATOM 2201 CA TRP A 141 5.549 13.998 5.079 1.00 0.25 C ATOM 2202 C TRP A 141 4.169 13.485 5.474 1.00 0.22 C ATOM 2203 O TRP A 141 3.191 14.238 5.498 1.00 0.22 O ATOM 2204 CB TRP A 141 5.845 13.633 3.612 1.00 0.29 C ATOM 2205 CG TRP A 141 4.923 14.317 2.646 1.00 0.29 C ATOM 2206 CD1 TRP A 141 5.111 15.532 2.055 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.662 13.831 2.168 1.00 0.30 C ATOM 2208 NE1 TRP A 141 4.043 15.836 1.249 1.00 0.35 N ATOM 2209 CE2 TRP A 141 3.141 14.807 1.300 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.919 12.666 2.394 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.915 14.657 0.657 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.704 12.517 1.754 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.212 13.508 0.896 1.00 0.36 C ATOM 0 H TRP A 141 7.220 12.808 5.535 1.00 0.28 H new ATOM 0 HA TRP A 141 5.573 15.084 5.168 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.875 13.901 3.376 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.760 12.554 3.486 1.00 0.29 H new ATOM 0 HD1 TRP A 141 5.975 16.163 2.200 1.00 0.32 H new ATOM 0 HE1 TRP A 141 3.938 16.690 0.701 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.289 11.898 3.057 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.533 15.419 -0.006 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.124 11.621 1.918 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.257 13.362 0.413 1.00 0.36 H new ATOM 2224 N ILE A 142 4.110 12.202 5.800 1.00 0.20 N ATOM 2225 CA ILE A 142 2.869 11.560 6.203 1.00 0.19 C ATOM 2226 C ILE A 142 2.298 12.233 7.450 1.00 0.20 C ATOM 2227 O ILE A 142 1.162 12.713 7.445 1.00 0.20 O ATOM 2228 CB ILE A 142 3.104 10.058 6.474 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.491 9.342 5.178 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.868 9.411 7.083 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.906 7.907 5.387 1.00 0.23 C ATOM 0 H ILE A 142 4.918 11.579 5.793 1.00 0.20 H new ATOM 0 HA ILE A 142 2.150 11.663 5.390 1.00 0.19 H new ATOM 0 HB ILE A 142 3.921 9.966 7.189 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.647 9.372 4.489 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.309 9.883 4.703 1.00 0.21 H new ATOM 0 HG21 ILE A 142 2.062 8.354 7.263 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.628 9.902 8.026 1.00 0.25 H new ATOM 0 HG23 ILE A 142 1.028 9.514 6.396 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.167 7.460 4.428 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.770 7.871 6.051 1.00 0.23 H new ATOM 0 HD13 ILE A 142 3.082 7.351 5.834 1.00 0.23 H new ATOM 2243 N GLN A 143 3.102 12.284 8.504 1.00 0.25 N ATOM 2244 CA GLN A 143 2.668 12.836 9.780 1.00 0.30 C ATOM 2245 C GLN A 143 2.362 14.330 9.668 1.00 0.29 C ATOM 2246 O GLN A 143 1.467 14.836 10.346 1.00 0.31 O ATOM 2247 CB GLN A 143 3.736 12.593 10.850 1.00 0.40 C ATOM 2248 CG GLN A 143 3.300 12.992 12.253 1.00 0.51 C ATOM 2249 CD GLN A 143 2.027 12.288 12.692 1.00 0.95 C ATOM 2250 OE1 GLN A 143 2.072 11.198 13.260 1.00 1.51 O ATOM 2251 NE2 GLN A 143 0.881 12.905 12.436 1.00 1.60 N ATOM 0 H GLN A 143 4.065 11.947 8.499 1.00 0.25 H new ATOM 0 HA GLN A 143 1.748 12.328 10.070 1.00 0.30 H new ATOM 0 HB2 GLN A 143 4.004 11.537 10.849 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.635 13.150 10.586 1.00 0.40 H new ATOM 0 HG2 GLN A 143 4.099 12.762 12.957 1.00 0.51 H new ATOM 0 HG3 GLN A 143 3.145 14.070 12.288 1.00 0.51 H new ATOM 0 HE21 GLN A 143 0.883 13.809 11.963 1.00 1.60 H new ATOM 0 HE22 GLN A 143 -0.002 12.476 12.712 1.00 1.60 H new ATOM 2260 N GLU A 144 3.100 15.026 8.811 1.00 0.29 N ATOM 2261 CA GLU A 144 2.889 16.457 8.601 1.00 0.33 C ATOM 2262 C GLU A 144 1.482 16.724 8.064 1.00 0.29 C ATOM 2263 O GLU A 144 0.849 17.718 8.418 1.00 0.35 O ATOM 2264 CB GLU A 144 3.937 17.011 7.632 1.00 0.41 C ATOM 2265 CG GLU A 144 3.839 18.509 7.406 1.00 0.64 C ATOM 2266 CD GLU A 144 4.832 19.000 6.376 1.00 1.09 C ATOM 2267 OE1 GLU A 144 4.495 18.998 5.174 1.00 1.75 O ATOM 2268 OE2 GLU A 144 5.956 19.384 6.759 1.00 1.25 O ATOM 0 H GLU A 144 3.851 14.624 8.249 1.00 0.29 H new ATOM 0 HA GLU A 144 2.993 16.963 9.561 1.00 0.33 H new ATOM 0 HB2 GLU A 144 4.930 16.776 8.014 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.836 16.502 6.673 1.00 0.41 H new ATOM 0 HG2 GLU A 144 2.829 18.760 7.082 1.00 0.64 H new ATOM 0 HG3 GLU A 144 4.010 19.028 8.349 1.00 0.64 H new ATOM 2275 N ASN A 145 0.988 15.814 7.228 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.352 15.951 6.656 1.00 0.28 C ATOM 2277 C ASN A 145 -1.408 15.351 7.578 1.00 0.30 C ATOM 2278 O ASN A 145 -2.581 15.244 7.210 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.434 15.292 5.272 1.00 0.32 C ATOM 2280 CG ASN A 145 0.241 16.116 4.186 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.391 16.972 3.566 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.519 15.863 3.937 1.00 0.33 N ATOM 0 H ASN A 145 1.491 14.978 6.932 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.550 17.017 6.547 1.00 0.28 H new ATOM 0 HB2 ASN A 145 0.030 14.307 5.316 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.481 15.140 5.009 1.00 0.32 H new ATOM 0 HD21 ASN A 145 2.010 16.385 3.211 1.00 0.33 H new ATOM 0 HD22 ASN A 145 2.010 15.146 4.471 1.00 0.33 H new ATOM 2289 N GLY A 146 -0.992 14.964 8.775 1.00 0.25 N ATOM 2290 CA GLY A 146 -1.927 14.443 9.753 1.00 0.30 C ATOM 2291 C GLY A 146 -1.629 13.010 10.138 1.00 0.30 C ATOM 2292 O GLY A 146 -1.883 12.601 11.271 1.00 0.41 O ATOM 0 H GLY A 146 -0.022 15.001 9.088 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -1.899 15.068 10.645 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -2.939 14.505 9.352 1.00 0.30 H new ATOM 2296 N GLY A 147 -1.075 12.253 9.203 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.765 10.865 9.458 1.00 0.22 C ATOM 2298 C GLY A 147 -1.469 9.945 8.485 1.00 0.19 C ATOM 2299 O GLY A 147 -2.077 10.409 7.514 1.00 0.20 O ATOM 0 H GLY A 147 -0.834 12.579 8.267 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.312 10.714 9.387 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -1.056 10.609 10.477 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.391 8.647 8.741 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.026 7.651 7.889 1.00 0.21 C ATOM 2305 C TRP A 148 -3.538 7.834 7.834 1.00 0.23 C ATOM 2306 O TRP A 148 -4.158 7.530 6.816 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.709 6.237 8.375 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.313 5.785 8.065 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.665 5.451 8.958 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.257 5.613 6.762 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.799 5.064 8.288 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.575 5.158 6.943 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.220 5.793 5.459 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.419 4.878 5.874 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.621 5.516 4.398 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.929 5.062 4.612 1.00 0.24 C ATOM 0 H TRP A 148 -0.890 8.256 9.539 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.623 7.791 6.886 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.864 6.191 9.453 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.415 5.541 7.921 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.562 5.486 10.032 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.668 4.756 8.724 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.227 6.142 5.286 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.427 4.527 6.036 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 0.264 5.652 3.388 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.563 4.853 3.763 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.124 8.330 8.923 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.575 8.536 8.989 1.00 0.31 C ATOM 2329 C ASP A 149 -6.061 9.382 7.819 1.00 0.30 C ATOM 2330 O ASP A 149 -7.130 9.130 7.264 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.982 9.206 10.305 1.00 0.40 C ATOM 2332 CG ASP A 149 -7.487 9.345 10.433 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -8.133 8.397 10.927 1.00 1.94 O ATOM 2334 OD2 ASP A 149 -8.035 10.401 10.053 1.00 1.96 O ATOM 0 H ASP A 149 -3.621 8.596 9.770 1.00 0.26 H new ATOM 0 HA ASP A 149 -6.042 7.552 8.936 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -5.600 8.622 11.142 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -5.521 10.192 10.367 1.00 0.40 H new ATOM 2339 N THR A 150 -5.253 10.362 7.437 1.00 0.27 N ATOM 2340 CA THR A 150 -5.577 11.249 6.331 1.00 0.29 C ATOM 2341 C THR A 150 -5.703 10.459 5.028 1.00 0.28 C ATOM 2342 O THR A 150 -6.623 10.682 4.237 1.00 0.33 O ATOM 2343 CB THR A 150 -4.491 12.329 6.182 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.315 13.020 7.430 1.00 0.38 O ATOM 2345 CG2 THR A 150 -4.849 13.328 5.095 1.00 0.37 C ATOM 0 H THR A 150 -4.358 10.563 7.884 1.00 0.27 H new ATOM 0 HA THR A 150 -6.532 11.729 6.544 1.00 0.29 H new ATOM 0 HB THR A 150 -3.562 11.834 5.899 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.707 13.778 7.301 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.061 14.077 5.016 1.00 0.37 H new ATOM 0 HG22 THR A 150 -4.952 12.808 4.143 1.00 0.37 H new ATOM 0 HG23 THR A 150 -5.791 13.817 5.346 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.782 9.525 4.823 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.784 8.695 3.625 1.00 0.25 C ATOM 2355 C PHE A 151 -5.899 7.654 3.683 1.00 0.26 C ATOM 2356 O PHE A 151 -6.620 7.452 2.707 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.429 8.001 3.453 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.382 7.065 2.278 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -3.632 7.526 0.998 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -3.073 5.727 2.457 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -3.577 6.669 -0.083 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -3.018 4.865 1.380 1.00 0.28 C ATOM 2363 CZ PHE A 151 -3.320 5.335 0.107 1.00 0.34 C ATOM 0 H PHE A 151 -4.022 9.323 5.473 1.00 0.24 H new ATOM 0 HA PHE A 151 -4.962 9.344 2.767 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.654 8.758 3.336 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.196 7.444 4.361 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -3.873 8.567 0.843 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -2.873 5.354 3.450 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -3.737 7.050 -1.081 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.742 3.831 1.526 1.00 0.28 H new ATOM 0 HZ PHE A 151 -3.352 4.652 -0.729 1.00 0.34 H new ATOM 2373 N VAL A 152 -6.044 7.004 4.834 1.00 0.25 N ATOM 2374 CA VAL A 152 -7.070 5.983 5.016 1.00 0.29 C ATOM 2375 C VAL A 152 -8.457 6.583 4.826 1.00 0.35 C ATOM 2376 O VAL A 152 -9.366 5.926 4.331 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.969 5.330 6.409 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -8.023 4.249 6.582 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.580 4.755 6.621 1.00 0.28 C ATOM 0 H VAL A 152 -5.463 7.167 5.656 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.907 5.212 4.263 1.00 0.29 H new ATOM 0 HB VAL A 152 -7.149 6.100 7.160 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.929 3.805 7.573 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -9.015 4.687 6.473 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.882 3.478 5.824 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.523 4.297 7.608 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.378 4.002 5.859 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.841 5.553 6.548 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.591 7.846 5.204 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.835 8.588 5.036 1.00 0.46 C ATOM 2391 C GLU A 153 -10.241 8.660 3.561 1.00 0.51 C ATOM 2392 O GLU A 153 -11.426 8.623 3.228 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.658 9.995 5.607 1.00 0.52 C ATOM 2394 CG GLU A 153 -10.908 10.854 5.566 1.00 0.70 C ATOM 2395 CD GLU A 153 -10.675 12.212 6.187 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -10.726 12.322 7.431 1.00 1.42 O ATOM 2397 OE2 GLU A 153 -10.459 13.183 5.433 1.00 2.17 O ATOM 0 H GLU A 153 -7.841 8.386 5.636 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.630 8.070 5.572 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.322 9.914 6.641 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -8.867 10.501 5.054 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.231 10.977 4.532 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.716 10.346 6.094 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.248 8.739 2.680 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.497 8.848 1.241 1.00 0.59 C ATOM 2406 C LEU A 154 -10.042 7.537 0.681 1.00 0.68 C ATOM 2407 O LEU A 154 -10.727 7.520 -0.343 1.00 0.74 O ATOM 2408 CB LEU A 154 -8.211 9.235 0.504 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.589 10.563 0.935 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.277 10.797 0.205 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.556 11.709 0.677 1.00 0.67 C ATOM 0 H LEU A 154 -8.261 8.730 2.935 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.244 9.627 1.087 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.476 8.444 0.649 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.423 9.281 -0.564 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.383 10.519 2.005 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -5.848 11.747 0.524 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.583 9.989 0.436 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.458 10.823 -0.870 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.099 12.648 0.989 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -8.790 11.755 -0.387 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.473 11.546 1.243 1.00 0.67 H new ATOM 2423 N TYR A 155 -9.733 6.445 1.361 1.00 0.75 N ATOM 2424 CA TYR A 155 -10.226 5.129 0.977 1.00 0.90 C ATOM 2425 C TYR A 155 -11.114 4.565 2.076 1.00 0.97 C ATOM 2426 O TYR A 155 -11.270 3.350 2.194 1.00 1.15 O ATOM 2427 CB TYR A 155 -9.063 4.167 0.691 1.00 0.98 C ATOM 2428 CG TYR A 155 -8.351 4.443 -0.615 1.00 0.98 C ATOM 2429 CD1 TYR A 155 -8.859 3.958 -1.814 1.00 1.05 C ATOM 2430 CD2 TYR A 155 -7.176 5.185 -0.653 1.00 0.98 C ATOM 2431 CE1 TYR A 155 -8.220 4.204 -3.011 1.00 1.10 C ATOM 2432 CE2 TYR A 155 -6.531 5.436 -1.849 1.00 1.03 C ATOM 2433 CZ TYR A 155 -7.058 4.944 -3.025 1.00 1.08 C ATOM 2434 OH TYR A 155 -6.417 5.186 -4.216 1.00 1.17 O ATOM 0 H TYR A 155 -9.138 6.443 2.189 1.00 0.75 H new ATOM 0 HA TYR A 155 -10.811 5.236 0.063 1.00 0.90 H new ATOM 0 HB2 TYR A 155 -8.343 4.229 1.507 1.00 0.98 H new ATOM 0 HB3 TYR A 155 -9.443 3.146 0.678 1.00 0.98 H new ATOM 0 HD1 TYR A 155 -9.770 3.378 -1.808 1.00 1.05 H new ATOM 0 HD2 TYR A 155 -6.761 5.571 0.266 1.00 0.98 H new ATOM 0 HE1 TYR A 155 -8.629 3.818 -3.933 1.00 1.10 H new ATOM 0 HE2 TYR A 155 -5.619 6.014 -1.863 1.00 1.03 H new ATOM 0 HH TYR A 155 -7.060 5.120 -4.953 1.00 1.17 H new ATOM 2444 N GLY A 156 -11.689 5.468 2.871 1.00 0.89 N ATOM 2445 CA GLY A 156 -12.496 5.075 4.012 1.00 1.02 C ATOM 2446 C GLY A 156 -13.756 4.327 3.631 1.00 1.11 C ATOM 2447 O GLY A 156 -14.837 4.908 3.554 1.00 1.68 O ATOM 0 H GLY A 156 -11.607 6.476 2.740 1.00 0.89 H new ATOM 0 HA2 GLY A 156 -11.897 4.448 4.672 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -12.769 5.966 4.578 1.00 1.02 H new ATOM 2451 N ASN A 157 -13.615 3.033 3.401 1.00 1.62 N ATOM 2452 CA ASN A 157 -14.747 2.167 3.102 1.00 2.05 C ATOM 2453 C ASN A 157 -15.515 1.867 4.382 1.00 2.33 C ATOM 2454 O ASN A 157 -16.723 1.626 4.361 1.00 2.52 O ATOM 2455 CB ASN A 157 -14.278 0.865 2.435 1.00 3.21 C ATOM 2456 CG ASN A 157 -13.291 0.075 3.284 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -12.543 0.635 4.086 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -13.277 -1.233 3.103 1.00 4.60 N ATOM 0 H ASN A 157 -12.716 2.552 3.416 1.00 1.62 H new ATOM 0 HA ASN A 157 -15.407 2.681 2.403 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -15.146 0.240 2.223 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -13.815 1.102 1.477 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -12.631 -1.815 3.637 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -13.912 -1.661 2.429 1.00 4.60 H new ATOM 2465 N ASN A 158 -14.803 1.897 5.502 1.00 2.99 N ATOM 2466 CA ASN A 158 -15.423 1.725 6.807 1.00 4.03 C ATOM 2467 C ASN A 158 -16.215 2.978 7.155 1.00 4.18 C ATOM 2468 O ASN A 158 -17.348 2.905 7.636 1.00 4.81 O ATOM 2469 CB ASN A 158 -14.358 1.464 7.873 1.00 5.08 C ATOM 2470 CG ASN A 158 -14.956 1.101 9.216 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -15.995 0.451 9.292 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -14.306 1.527 10.286 1.00 6.76 N ATOM 0 H ASN A 158 -13.793 2.039 5.531 1.00 2.99 H new ATOM 0 HA ASN A 158 -16.094 0.867 6.775 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -13.706 0.657 7.540 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -13.735 2.352 7.984 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -14.665 1.318 11.218 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -13.446 2.064 10.180 1.00 6.76 H new ATOM 2479 N ALA A 159 -15.607 4.130 6.891 1.00 3.95 N ATOM 2480 CA ALA A 159 -16.272 5.413 7.060 1.00 4.72 C ATOM 2481 C ALA A 159 -17.482 5.511 6.139 1.00 4.66 C ATOM 2482 O ALA A 159 -18.546 5.984 6.540 1.00 5.63 O ATOM 2483 CB ALA A 159 -15.301 6.549 6.783 1.00 4.78 C ATOM 0 H ALA A 159 -14.646 4.199 6.556 1.00 3.95 H new ATOM 0 HA ALA A 159 -16.617 5.493 8.091 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -15.811 7.503 6.913 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -14.463 6.488 7.477 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -14.932 6.471 5.760 1.00 4.78 H new ATOM 2489 N ALA A 160 -17.311 5.056 4.902 1.00 3.75 N ATOM 2490 CA ALA A 160 -18.405 5.004 3.939 1.00 4.08 C ATOM 2491 C ALA A 160 -19.561 4.167 4.475 1.00 4.33 C ATOM 2492 O ALA A 160 -20.728 4.516 4.295 1.00 5.11 O ATOM 2493 CB ALA A 160 -17.916 4.445 2.614 1.00 3.59 C ATOM 0 H ALA A 160 -16.419 4.716 4.541 1.00 3.75 H new ATOM 0 HA ALA A 160 -18.767 6.020 3.778 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -18.744 4.412 1.905 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -17.125 5.083 2.219 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -17.528 3.438 2.765 1.00 3.59 H new ATOM 2499 N ALA A 161 -19.230 3.068 5.143 1.00 3.93 N ATOM 2500 CA ALA A 161 -20.237 2.208 5.752 1.00 4.43 C ATOM 2501 C ALA A 161 -21.007 2.955 6.840 1.00 5.54 C ATOM 2502 O ALA A 161 -22.226 2.817 6.957 1.00 6.11 O ATOM 2503 CB ALA A 161 -19.590 0.951 6.317 1.00 4.39 C ATOM 0 H ALA A 161 -18.270 2.751 5.277 1.00 3.93 H new ATOM 0 HA ALA A 161 -20.947 1.914 4.979 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -20.355 0.319 6.768 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -19.095 0.404 5.514 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -18.856 1.228 7.074 1.00 4.39 H new ATOM 2509 N GLU A 162 -20.299 3.771 7.615 1.00 5.98 N ATOM 2510 CA GLU A 162 -20.932 4.567 8.662 1.00 7.23 C ATOM 2511 C GLU A 162 -21.725 5.717 8.054 1.00 7.80 C ATOM 2512 O GLU A 162 -22.582 6.308 8.706 1.00 8.75 O ATOM 2513 CB GLU A 162 -19.889 5.121 9.632 1.00 7.72 C ATOM 2514 CG GLU A 162 -19.046 4.050 10.297 1.00 7.99 C ATOM 2515 CD GLU A 162 -18.137 4.608 11.370 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -17.230 5.400 11.037 1.00 9.09 O ATOM 2517 OE2 GLU A 162 -18.318 4.249 12.554 1.00 9.03 O ATOM 0 H GLU A 162 -19.290 3.898 7.539 1.00 5.98 H new ATOM 0 HA GLU A 162 -21.611 3.915 9.211 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -19.233 5.806 9.094 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -20.395 5.703 10.402 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -19.701 3.298 10.736 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -18.443 3.546 9.541 1.00 7.99 H new ATOM 2524 N SER A 163 -21.439 6.022 6.798 1.00 7.39 N ATOM 2525 CA SER A 163 -22.125 7.091 6.092 1.00 8.21 C ATOM 2526 C SER A 163 -23.399 6.569 5.423 1.00 8.28 C ATOM 2527 O SER A 163 -24.060 7.292 4.678 1.00 9.15 O ATOM 2528 CB SER A 163 -21.190 7.708 5.048 1.00 8.03 C ATOM 2529 OG SER A 163 -19.967 8.128 5.637 1.00 7.86 O ATOM 0 H SER A 163 -20.731 5.540 6.244 1.00 7.39 H new ATOM 0 HA SER A 163 -22.410 7.858 6.812 1.00 8.21 H new ATOM 0 HB2 SER A 163 -20.987 6.980 4.262 1.00 8.03 H new ATOM 0 HB3 SER A 163 -21.680 8.559 4.575 1.00 8.03 H new ATOM 0 HG SER A 163 -19.409 7.345 5.826 1.00 7.86 H new ATOM 2535 N ARG A 164 -23.728 5.307 5.688 1.00 7.47 N ATOM 2536 CA ARG A 164 -24.935 4.692 5.138 1.00 7.60 C ATOM 2537 C ARG A 164 -26.053 4.657 6.179 1.00 8.33 C ATOM 2538 O ARG A 164 -27.114 4.074 5.946 1.00 8.87 O ATOM 2539 CB ARG A 164 -24.632 3.273 4.650 1.00 6.69 C ATOM 2540 CG ARG A 164 -23.614 3.223 3.524 1.00 6.19 C ATOM 2541 CD ARG A 164 -23.242 1.794 3.167 1.00 5.74 C ATOM 2542 NE ARG A 164 -22.242 1.744 2.101 1.00 5.66 N ATOM 2543 CZ ARG A 164 -21.206 0.901 2.081 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -21.045 0.011 3.055 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -20.336 0.948 1.081 1.00 6.02 N ATOM 0 H ARG A 164 -23.175 4.689 6.281 1.00 7.47 H new ATOM 0 HA ARG A 164 -25.268 5.296 4.294 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -24.265 2.680 5.488 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -25.558 2.808 4.312 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -24.019 3.724 2.645 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -22.718 3.770 3.819 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -22.856 1.287 4.051 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -24.135 1.253 2.854 1.00 5.74 H new ATOM 0 HE ARG A 164 -22.342 2.395 1.322 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -21.715 -0.031 3.823 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -20.252 -0.630 3.034 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -20.459 1.627 0.330 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -19.544 0.305 1.063 1.00 6.02 H new ATOM 2559 N LYS A 165 -25.814 5.289 7.323 1.00 8.52 N ATOM 2560 CA LYS A 165 -26.787 5.303 8.411 1.00 9.41 C ATOM 2561 C LYS A 165 -28.003 6.132 8.031 1.00 10.47 C ATOM 2562 O LYS A 165 -29.137 5.788 8.372 1.00 11.24 O ATOM 2563 CB LYS A 165 -26.160 5.872 9.683 1.00 9.61 C ATOM 2564 CG LYS A 165 -25.040 5.023 10.255 1.00 9.69 C ATOM 2565 CD LYS A 165 -24.410 5.696 11.463 1.00 10.12 C ATOM 2566 CE LYS A 165 -23.317 4.841 12.079 1.00 10.34 C ATOM 2567 NZ LYS A 165 -23.842 3.542 12.574 1.00 10.42 N ATOM 0 H LYS A 165 -24.954 5.799 7.522 1.00 8.52 H new ATOM 0 HA LYS A 165 -27.100 4.275 8.595 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -25.774 6.869 9.470 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -26.937 5.986 10.439 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -25.429 4.046 10.540 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -24.281 4.853 9.491 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -23.994 6.659 11.167 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -25.179 5.896 12.209 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -22.538 4.659 11.339 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -22.853 5.383 12.903 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -23.128 3.086 13.176 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -24.708 3.705 13.127 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -24.059 2.925 11.766 1.00 10.42 H new ATOM 2581 N GLY A 166 -27.752 7.229 7.327 1.00 10.61 N ATOM 2582 CA GLY A 166 -28.825 8.092 6.876 1.00 11.72 C ATOM 2583 C GLY A 166 -29.840 7.343 6.045 1.00 12.02 C ATOM 2584 O GLY A 166 -31.039 7.439 6.290 1.00 13.02 O ATOM 0 H GLY A 166 -26.817 7.537 7.059 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -29.320 8.537 7.739 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -28.409 8.911 6.290 1.00 11.72 H new ATOM 2588 N GLN A 167 -29.350 6.576 5.076 1.00 11.25 N ATOM 2589 CA GLN A 167 -30.205 5.768 4.209 1.00 11.64 C ATOM 2590 C GLN A 167 -31.085 4.834 5.035 1.00 12.01 C ATOM 2591 O GLN A 167 -32.271 4.670 4.745 1.00 12.84 O ATOM 2592 CB GLN A 167 -29.350 4.955 3.222 1.00 10.86 C ATOM 2593 CG GLN A 167 -30.158 4.069 2.285 1.00 11.50 C ATOM 2594 CD GLN A 167 -31.161 4.846 1.453 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -30.949 6.017 1.125 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -32.261 4.200 1.105 1.00 12.41 N ATOM 0 H GLN A 167 -28.354 6.496 4.869 1.00 11.25 H new ATOM 0 HA GLN A 167 -30.851 6.441 3.645 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -28.749 5.642 2.627 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -28.656 4.332 3.786 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -29.478 3.537 1.620 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -30.686 3.316 2.871 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -32.398 3.232 1.397 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -32.973 4.669 0.545 1.00 12.41 H new ATOM 2605 N GLU A 168 -30.508 4.246 6.075 1.00 11.51 N ATOM 2606 CA GLU A 168 -31.246 3.342 6.946 1.00 11.94 C ATOM 2607 C GLU A 168 -32.341 4.098 7.695 1.00 13.03 C ATOM 2608 O GLU A 168 -33.461 3.608 7.852 1.00 13.73 O ATOM 2609 CB GLU A 168 -30.298 2.667 7.940 1.00 11.38 C ATOM 2610 CG GLU A 168 -30.953 1.558 8.748 1.00 10.85 C ATOM 2611 CD GLU A 168 -31.400 0.401 7.881 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -32.453 0.516 7.222 1.00 10.98 O ATOM 2613 OE2 GLU A 168 -30.695 -0.631 7.850 1.00 10.74 O ATOM 0 H GLU A 168 -29.531 4.379 6.336 1.00 11.51 H new ATOM 0 HA GLU A 168 -31.712 2.574 6.329 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -29.448 2.255 7.396 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -29.905 3.420 8.623 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -30.251 1.196 9.499 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -31.813 1.961 9.283 1.00 10.85 H new ATOM 2620 N ARG A 169 -32.013 5.304 8.139 1.00 13.26 N ATOM 2621 CA ARG A 169 -32.964 6.146 8.854 1.00 14.38 C ATOM 2622 C ARG A 169 -34.071 6.624 7.920 1.00 15.16 C ATOM 2623 O ARG A 169 -35.225 6.767 8.331 1.00 16.19 O ATOM 2624 CB ARG A 169 -32.243 7.347 9.469 1.00 14.52 C ATOM 2625 CG ARG A 169 -31.194 6.961 10.499 1.00 14.72 C ATOM 2626 CD ARG A 169 -30.403 8.167 10.974 1.00 14.96 C ATOM 2627 NE ARG A 169 -31.237 9.141 11.680 1.00 14.97 N ATOM 2628 CZ ARG A 169 -30.827 10.371 11.994 1.00 15.22 C ATOM 2629 NH1 ARG A 169 -29.619 10.782 11.630 1.00 15.46 N ATOM 2630 NH2 ARG A 169 -31.623 11.193 12.664 1.00 15.37 N ATOM 0 H ARG A 169 -31.091 5.723 8.016 1.00 13.26 H new ATOM 0 HA ARG A 169 -33.416 5.554 9.650 1.00 14.38 H new ATOM 0 HB2 ARG A 169 -31.767 7.921 8.674 1.00 14.52 H new ATOM 0 HB3 ARG A 169 -32.978 8.001 9.938 1.00 14.52 H new ATOM 0 HG2 ARG A 169 -31.679 6.485 11.351 1.00 14.72 H new ATOM 0 HG3 ARG A 169 -30.514 6.226 10.068 1.00 14.72 H new ATOM 0 HD2 ARG A 169 -29.601 7.835 11.633 1.00 14.96 H new ATOM 0 HD3 ARG A 169 -29.933 8.649 10.117 1.00 14.96 H new ATOM 0 HE ARG A 169 -32.182 8.864 11.946 1.00 14.97 H new ATOM 0 HH11 ARG A 169 -29.003 10.157 11.110 1.00 15.46 H new ATOM 0 HH12 ARG A 169 -29.306 11.723 11.871 1.00 15.46 H new ATOM 0 HH21 ARG A 169 -32.555 10.886 12.943 1.00 15.37 H new ATOM 0 HH22 ARG A 169 -31.303 12.132 12.901 1.00 15.37 H new ATOM 2644 N LEU A 170 -33.716 6.847 6.660 1.00 14.77 N ATOM 2645 CA LEU A 170 -34.664 7.318 5.654 1.00 15.59 C ATOM 2646 C LEU A 170 -35.754 6.282 5.387 1.00 16.06 C ATOM 2647 O LEU A 170 -36.827 6.618 4.886 1.00 17.05 O ATOM 2648 CB LEU A 170 -33.940 7.640 4.343 1.00 15.16 C ATOM 2649 CG LEU A 170 -32.889 8.749 4.425 1.00 15.47 C ATOM 2650 CD1 LEU A 170 -32.198 8.923 3.084 1.00 16.05 C ATOM 2651 CD2 LEU A 170 -33.520 10.057 4.874 1.00 15.45 C ATOM 0 H LEU A 170 -32.769 6.708 6.307 1.00 14.77 H new ATOM 0 HA LEU A 170 -35.131 8.222 6.045 1.00 15.59 H new ATOM 0 HB2 LEU A 170 -33.457 6.732 3.983 1.00 15.16 H new ATOM 0 HB3 LEU A 170 -34.684 7.923 3.598 1.00 15.16 H new ATOM 0 HG LEU A 170 -32.143 8.460 5.165 1.00 15.47 H new ATOM 0 HD11 LEU A 170 -31.453 9.715 3.159 1.00 16.05 H new ATOM 0 HD12 LEU A 170 -31.709 7.990 2.803 1.00 16.05 H new ATOM 0 HD13 LEU A 170 -32.935 9.188 2.326 1.00 16.05 H new ATOM 0 HD21 LEU A 170 -32.755 10.831 4.925 1.00 15.45 H new ATOM 0 HD22 LEU A 170 -34.289 10.354 4.161 1.00 15.45 H new ATOM 0 HD23 LEU A 170 -33.969 9.925 5.858 1.00 15.45 H new ATOM 2663 N GLU A 171 -35.468 5.027 5.710 1.00 15.42 N ATOM 2664 CA GLU A 171 -36.423 3.942 5.512 1.00 15.90 C ATOM 2665 C GLU A 171 -37.569 4.013 6.515 1.00 16.52 C ATOM 2666 O GLU A 171 -38.668 3.527 6.240 1.00 17.29 O ATOM 2667 CB GLU A 171 -35.716 2.593 5.617 1.00 15.17 C ATOM 2668 CG GLU A 171 -34.877 2.260 4.396 1.00 15.22 C ATOM 2669 CD GLU A 171 -35.730 1.986 3.176 1.00 14.93 C ATOM 2670 OE1 GLU A 171 -36.289 2.946 2.609 1.00 15.07 O ATOM 2671 OE2 GLU A 171 -35.829 0.814 2.761 1.00 14.68 O ATOM 0 H GLU A 171 -34.578 4.734 6.112 1.00 15.42 H new ATOM 0 HA GLU A 171 -36.847 4.050 4.514 1.00 15.90 H new ATOM 0 HB2 GLU A 171 -35.077 2.593 6.500 1.00 15.17 H new ATOM 0 HB3 GLU A 171 -36.461 1.810 5.763 1.00 15.17 H new ATOM 0 HG2 GLU A 171 -34.200 3.088 4.186 1.00 15.22 H new ATOM 0 HG3 GLU A 171 -34.259 1.388 4.609 1.00 15.22 H new ATOM 2678 N HIS A 172 -37.305 4.629 7.666 1.00 16.27 N ATOM 2679 CA HIS A 172 -38.301 4.753 8.734 1.00 16.96 C ATOM 2680 C HIS A 172 -38.650 3.384 9.314 1.00 17.80 C ATOM 2681 O HIS A 172 -37.978 2.387 9.039 1.00 18.06 O ATOM 2682 CB HIS A 172 -39.580 5.434 8.225 1.00 16.71 C ATOM 2683 CG HIS A 172 -39.397 6.854 7.791 1.00 16.63 C ATOM 2684 ND1 HIS A 172 -39.466 7.254 6.476 1.00 16.51 N ATOM 2685 CD2 HIS A 172 -39.180 7.977 8.511 1.00 16.83 C ATOM 2686 CE1 HIS A 172 -39.301 8.559 6.408 1.00 16.61 C ATOM 2687 NE2 HIS A 172 -39.127 9.026 7.630 1.00 16.80 N ATOM 0 H HIS A 172 -36.404 5.053 7.886 1.00 16.27 H new ATOM 0 HA HIS A 172 -37.862 5.372 9.517 1.00 16.96 H new ATOM 0 HB2 HIS A 172 -39.973 4.859 7.387 1.00 16.71 H new ATOM 0 HB3 HIS A 172 -40.332 5.403 9.014 1.00 16.71 H new ATOM 0 HD2 HIS A 172 -39.069 8.037 9.584 1.00 16.83 H new ATOM 0 HE1 HIS A 172 -39.307 9.149 5.503 1.00 16.61 H new ATOM 0 HE2 HIS A 172 -38.978 10.004 7.878 1.00 16.80 H new ATOM 2696 N HIS A 173 -39.691 3.340 10.133 1.00 18.31 N ATOM 2697 CA HIS A 173 -40.155 2.083 10.703 1.00 19.22 C ATOM 2698 C HIS A 173 -41.309 1.521 9.877 1.00 19.76 C ATOM 2699 O HIS A 173 -41.780 0.413 10.132 1.00 19.79 O ATOM 2700 CB HIS A 173 -40.569 2.261 12.171 1.00 19.61 C ATOM 2701 CG HIS A 173 -41.753 3.154 12.388 1.00 20.05 C ATOM 2702 ND1 HIS A 173 -41.644 4.512 12.581 1.00 20.25 N ATOM 2703 CD2 HIS A 173 -43.073 2.872 12.454 1.00 20.44 C ATOM 2704 CE1 HIS A 173 -42.846 5.027 12.757 1.00 20.74 C ATOM 2705 NE2 HIS A 173 -43.730 4.050 12.683 1.00 20.87 N ATOM 0 H HIS A 173 -40.229 4.158 10.417 1.00 18.31 H new ATOM 0 HA HIS A 173 -39.331 1.371 10.676 1.00 19.22 H new ATOM 0 HB2 HIS A 173 -40.790 1.280 12.593 1.00 19.61 H new ATOM 0 HB3 HIS A 173 -39.722 2.664 12.726 1.00 19.61 H new ATOM 0 HD2 HIS A 173 -43.525 1.897 12.346 1.00 20.44 H new ATOM 0 HE1 HIS A 173 -43.068 6.069 12.932 1.00 20.74 H new ATOM 0 HE2 HIS A 173 -44.740 4.156 12.781 1.00 20.87 H new ATOM 2714 N HIS A 174 -41.753 2.312 8.897 1.00 20.30 N ATOM 2715 CA HIS A 174 -42.790 1.906 7.944 1.00 20.96 C ATOM 2716 C HIS A 174 -44.170 1.862 8.592 1.00 21.59 C ATOM 2717 O HIS A 174 -44.300 1.723 9.809 1.00 21.97 O ATOM 2718 CB HIS A 174 -42.464 0.549 7.305 1.00 21.33 C ATOM 2719 CG HIS A 174 -41.291 0.588 6.372 1.00 21.43 C ATOM 2720 ND1 HIS A 174 -39.998 0.326 6.771 1.00 21.76 N ATOM 2721 CD2 HIS A 174 -41.224 0.866 5.049 1.00 21.37 C ATOM 2722 CE1 HIS A 174 -39.189 0.443 5.734 1.00 21.89 C ATOM 2723 NE2 HIS A 174 -39.908 0.768 4.679 1.00 21.66 N ATOM 0 H HIS A 174 -41.402 3.257 8.741 1.00 20.30 H new ATOM 0 HA HIS A 174 -42.808 2.663 7.160 1.00 20.96 H new ATOM 0 HB2 HIS A 174 -42.265 -0.176 8.094 1.00 21.33 H new ATOM 0 HB3 HIS A 174 -43.339 0.195 6.760 1.00 21.33 H new ATOM 0 HD2 HIS A 174 -42.053 1.118 4.405 1.00 21.37 H new ATOM 0 HE1 HIS A 174 -38.119 0.297 5.748 1.00 21.89 H new ATOM 0 HE2 HIS A 174 -39.544 0.922 3.739 1.00 21.66 H new ATOM 2732 N HIS A 175 -45.199 1.998 7.762 1.00 21.78 N ATOM 2733 CA HIS A 175 -46.581 1.936 8.226 1.00 22.46 C ATOM 2734 C HIS A 175 -46.897 0.557 8.778 1.00 23.08 C ATOM 2735 O HIS A 175 -47.495 0.423 9.846 1.00 23.17 O ATOM 2736 CB HIS A 175 -47.552 2.270 7.089 1.00 22.43 C ATOM 2737 CG HIS A 175 -47.640 3.731 6.773 1.00 22.30 C ATOM 2738 ND1 HIS A 175 -48.776 4.318 6.262 1.00 22.32 N ATOM 2739 CD2 HIS A 175 -46.728 4.725 6.895 1.00 22.27 C ATOM 2740 CE1 HIS A 175 -48.559 5.607 6.083 1.00 22.31 C ATOM 2741 NE2 HIS A 175 -47.325 5.880 6.461 1.00 22.28 N ATOM 0 H HIS A 175 -45.101 2.153 6.759 1.00 21.78 H new ATOM 0 HA HIS A 175 -46.701 2.674 9.020 1.00 22.46 H new ATOM 0 HB2 HIS A 175 -47.244 1.733 6.192 1.00 22.43 H new ATOM 0 HB3 HIS A 175 -48.545 1.906 7.354 1.00 22.43 H new ATOM 0 HD2 HIS A 175 -45.718 4.626 7.265 1.00 22.27 H new ATOM 0 HE1 HIS A 175 -49.272 6.319 5.693 1.00 22.31 H new ATOM 0 HE2 HIS A 175 -46.887 6.801 6.435 1.00 22.28 H new ATOM 2750 N HIS A 176 -46.496 -0.469 8.044 1.00 23.60 N ATOM 2751 CA HIS A 176 -46.675 -1.836 8.501 1.00 24.32 C ATOM 2752 C HIS A 176 -45.574 -2.207 9.477 1.00 24.96 C ATOM 2753 O HIS A 176 -44.460 -2.550 9.075 1.00 25.33 O ATOM 2754 CB HIS A 176 -46.698 -2.816 7.325 1.00 24.63 C ATOM 2755 CG HIS A 176 -47.928 -2.699 6.483 1.00 24.68 C ATOM 2756 ND1 HIS A 176 -47.945 -2.078 5.253 1.00 24.97 N ATOM 2757 CD2 HIS A 176 -49.193 -3.126 6.703 1.00 24.59 C ATOM 2758 CE1 HIS A 176 -49.166 -2.125 4.756 1.00 25.05 C ATOM 2759 NE2 HIS A 176 -49.941 -2.757 5.616 1.00 24.83 N ATOM 0 H HIS A 176 -46.046 -0.381 7.133 1.00 23.60 H new ATOM 0 HA HIS A 176 -47.637 -1.901 9.008 1.00 24.32 H new ATOM 0 HB2 HIS A 176 -45.821 -2.645 6.701 1.00 24.63 H new ATOM 0 HB3 HIS A 176 -46.623 -3.834 7.708 1.00 24.63 H new ATOM 0 HD2 HIS A 176 -49.547 -3.658 7.573 1.00 24.59 H new ATOM 0 HE1 HIS A 176 -49.478 -1.716 3.807 1.00 25.05 H new ATOM 0 HE2 HIS A 176 -50.937 -2.941 5.492 1.00 24.83 H new ATOM 2768 N HIS A 177 -45.884 -2.103 10.760 1.00 25.19 N ATOM 2769 CA HIS A 177 -44.923 -2.421 11.810 1.00 25.89 C ATOM 2770 C HIS A 177 -45.623 -3.089 12.987 1.00 26.38 C ATOM 2771 O HIS A 177 -44.997 -3.421 13.992 1.00 26.64 O ATOM 2772 CB HIS A 177 -44.182 -1.156 12.279 1.00 26.07 C ATOM 2773 CG HIS A 177 -45.025 -0.201 13.073 1.00 26.41 C ATOM 2774 ND1 HIS A 177 -44.740 0.152 14.373 1.00 26.57 N ATOM 2775 CD2 HIS A 177 -46.151 0.474 12.745 1.00 26.71 C ATOM 2776 CE1 HIS A 177 -45.651 0.998 14.809 1.00 26.95 C ATOM 2777 NE2 HIS A 177 -46.521 1.210 13.841 1.00 27.04 N ATOM 0 H HIS A 177 -46.796 -1.800 11.102 1.00 25.19 H new ATOM 0 HA HIS A 177 -44.189 -3.114 11.398 1.00 25.89 H new ATOM 0 HB2 HIS A 177 -43.326 -1.455 12.884 1.00 26.07 H new ATOM 0 HB3 HIS A 177 -43.789 -0.635 11.406 1.00 26.07 H new ATOM 0 HD2 HIS A 177 -46.664 0.439 11.795 1.00 26.71 H new ATOM 0 HE1 HIS A 177 -45.680 1.443 15.793 1.00 26.95 H new ATOM 0 HE2 HIS A 177 -47.336 1.821 13.898 1.00 27.04 H new ATOM 2786 N LEU A 178 -46.930 -3.268 12.860 1.00 26.60 N ATOM 2787 CA LEU A 178 -47.711 -3.919 13.896 1.00 27.15 C ATOM 2788 C LEU A 178 -47.867 -5.393 13.562 1.00 27.42 C ATOM 2789 O LEU A 178 -47.783 -5.772 12.389 1.00 27.57 O ATOM 2790 CB LEU A 178 -49.083 -3.253 14.035 1.00 27.23 C ATOM 2791 CG LEU A 178 -49.049 -1.766 14.402 1.00 27.46 C ATOM 2792 CD1 LEU A 178 -50.458 -1.198 14.456 1.00 27.88 C ATOM 2793 CD2 LEU A 178 -48.342 -1.558 15.733 1.00 27.61 C ATOM 0 H LEU A 178 -47.470 -2.970 12.048 1.00 26.60 H new ATOM 0 HA LEU A 178 -47.190 -3.821 14.849 1.00 27.15 H new ATOM 0 HB2 LEU A 178 -49.622 -3.367 13.094 1.00 27.23 H new ATOM 0 HB3 LEU A 178 -49.653 -3.786 14.796 1.00 27.23 H new ATOM 0 HG LEU A 178 -48.491 -1.236 13.630 1.00 27.46 H new ATOM 0 HD11 LEU A 178 -50.414 -0.141 14.718 1.00 27.88 H new ATOM 0 HD12 LEU A 178 -50.933 -1.311 13.482 1.00 27.88 H new ATOM 0 HD13 LEU A 178 -51.038 -1.734 15.207 1.00 27.88 H new ATOM 0 HD21 LEU A 178 -48.328 -0.495 15.976 1.00 27.61 H new ATOM 0 HD22 LEU A 178 -48.871 -2.102 16.515 1.00 27.61 H new ATOM 0 HD23 LEU A 178 -47.319 -1.927 15.663 1.00 27.61 H new ATOM 2805 N GLU A 179 -48.080 -6.210 14.594 1.00 27.58 N ATOM 2806 CA GLU A 179 -48.168 -7.667 14.459 1.00 27.93 C ATOM 2807 C GLU A 179 -46.804 -8.259 14.097 1.00 28.01 C ATOM 2808 O GLU A 179 -46.194 -8.967 14.899 1.00 27.88 O ATOM 2809 CB GLU A 179 -49.226 -8.068 13.419 1.00 28.15 C ATOM 2810 CG GLU A 179 -49.412 -9.572 13.281 1.00 28.46 C ATOM 2811 CD GLU A 179 -49.865 -10.226 14.570 1.00 28.92 C ATOM 2812 OE1 GLU A 179 -51.085 -10.268 14.828 1.00 29.20 O ATOM 2813 OE2 GLU A 179 -49.001 -10.694 15.342 1.00 29.07 O ATOM 0 H GLU A 179 -48.197 -5.880 15.552 1.00 27.58 H new ATOM 0 HA GLU A 179 -48.476 -8.073 15.422 1.00 27.93 H new ATOM 0 HB2 GLU A 179 -50.180 -7.617 13.692 1.00 28.15 H new ATOM 0 HB3 GLU A 179 -48.944 -7.656 12.450 1.00 28.15 H new ATOM 0 HG2 GLU A 179 -50.145 -9.773 12.499 1.00 28.46 H new ATOM 0 HG3 GLU A 179 -48.472 -10.022 12.961 1.00 28.46 H new ATOM 2820 N HIS A 180 -46.322 -7.956 12.900 1.00 28.32 N ATOM 2821 CA HIS A 180 -45.012 -8.417 12.466 1.00 28.53 C ATOM 2822 C HIS A 180 -43.934 -7.480 13.000 1.00 28.95 C ATOM 2823 O HIS A 180 -43.476 -6.572 12.306 1.00 29.23 O ATOM 2824 CB HIS A 180 -44.952 -8.508 10.932 1.00 28.74 C ATOM 2825 CG HIS A 180 -43.655 -9.043 10.389 1.00 28.72 C ATOM 2826 ND1 HIS A 180 -43.456 -10.369 10.073 1.00 28.77 N ATOM 2827 CD2 HIS A 180 -42.495 -8.412 10.090 1.00 28.77 C ATOM 2828 CE1 HIS A 180 -42.231 -10.531 9.607 1.00 28.84 C ATOM 2829 NE2 HIS A 180 -41.629 -9.358 9.606 1.00 28.84 N ATOM 0 H HIS A 180 -46.820 -7.392 12.211 1.00 28.32 H new ATOM 0 HA HIS A 180 -44.835 -9.416 12.866 1.00 28.53 H new ATOM 0 HB2 HIS A 180 -45.766 -9.145 10.586 1.00 28.74 H new ATOM 0 HB3 HIS A 180 -45.124 -7.516 10.515 1.00 28.74 H new ATOM 0 HD2 HIS A 180 -42.290 -7.359 10.210 1.00 28.77 H new ATOM 0 HE1 HIS A 180 -41.797 -11.465 9.282 1.00 28.84 H new ATOM 0 HE2 HIS A 180 -40.673 -9.183 9.295 1.00 28.84 H new ATOM 2838 N HIS A 181 -43.573 -7.676 14.259 1.00 29.09 N ATOM 2839 CA HIS A 181 -42.527 -6.886 14.892 1.00 29.57 C ATOM 2840 C HIS A 181 -41.815 -7.734 15.943 1.00 29.91 C ATOM 2841 O HIS A 181 -41.223 -7.218 16.891 1.00 30.13 O ATOM 2842 CB HIS A 181 -43.126 -5.622 15.524 1.00 29.72 C ATOM 2843 CG HIS A 181 -42.117 -4.554 15.842 1.00 29.81 C ATOM 2844 ND1 HIS A 181 -41.560 -3.741 14.879 1.00 29.72 N ATOM 2845 CD2 HIS A 181 -41.572 -4.165 17.019 1.00 30.08 C ATOM 2846 CE1 HIS A 181 -40.718 -2.900 15.449 1.00 29.92 C ATOM 2847 NE2 HIS A 181 -40.705 -3.136 16.745 1.00 30.14 N ATOM 0 H HIS A 181 -43.992 -8.380 14.866 1.00 29.09 H new ATOM 0 HA HIS A 181 -41.801 -6.576 14.140 1.00 29.57 H new ATOM 0 HB2 HIS A 181 -43.873 -5.210 14.846 1.00 29.72 H new ATOM 0 HB3 HIS A 181 -43.646 -5.899 16.441 1.00 29.72 H new ATOM 0 HD2 HIS A 181 -41.780 -4.586 17.992 1.00 30.08 H new ATOM 0 HE1 HIS A 181 -40.137 -2.145 14.939 1.00 29.92 H new ATOM 0 HE2 HIS A 181 -40.142 -2.636 17.433 1.00 30.14 H new ATOM 2856 N HIS A 182 -41.859 -9.043 15.761 1.00 30.03 N ATOM 2857 CA HIS A 182 -41.215 -9.960 16.689 1.00 30.43 C ATOM 2858 C HIS A 182 -40.179 -10.807 15.964 1.00 30.87 C ATOM 2859 O HIS A 182 -40.485 -11.485 14.986 1.00 31.02 O ATOM 2860 CB HIS A 182 -42.241 -10.850 17.412 1.00 30.52 C ATOM 2861 CG HIS A 182 -43.158 -11.620 16.508 1.00 30.37 C ATOM 2862 ND1 HIS A 182 -42.877 -12.888 16.051 1.00 30.34 N ATOM 2863 CD2 HIS A 182 -44.367 -11.298 15.995 1.00 30.33 C ATOM 2864 CE1 HIS A 182 -43.871 -13.312 15.297 1.00 30.28 C ATOM 2865 NE2 HIS A 182 -44.790 -12.367 15.247 1.00 30.28 N ATOM 0 H HIS A 182 -42.334 -9.495 14.980 1.00 30.03 H new ATOM 0 HA HIS A 182 -40.709 -9.365 17.449 1.00 30.43 H new ATOM 0 HB2 HIS A 182 -41.705 -11.555 18.047 1.00 30.52 H new ATOM 0 HB3 HIS A 182 -42.844 -10.224 18.069 1.00 30.52 H new ATOM 0 HD2 HIS A 182 -44.900 -10.371 16.146 1.00 30.33 H new ATOM 0 HE1 HIS A 182 -43.924 -14.271 14.803 1.00 30.28 H new ATOM 0 HE2 HIS A 182 -45.671 -12.422 14.736 1.00 30.28 H new ATOM 2874 N HIS A 183 -38.950 -10.748 16.442 1.00 31.15 N ATOM 2875 CA HIS A 183 -37.858 -11.484 15.825 1.00 31.67 C ATOM 2876 C HIS A 183 -37.726 -12.861 16.451 1.00 32.06 C ATOM 2877 O HIS A 183 -37.493 -13.849 15.759 1.00 32.12 O ATOM 2878 CB HIS A 183 -36.546 -10.713 15.971 1.00 31.92 C ATOM 2879 CG HIS A 183 -36.487 -9.463 15.149 1.00 31.89 C ATOM 2880 ND1 HIS A 183 -37.056 -8.271 15.541 1.00 31.92 N ATOM 2881 CD2 HIS A 183 -35.919 -9.225 13.947 1.00 31.92 C ATOM 2882 CE1 HIS A 183 -36.840 -7.356 14.615 1.00 31.97 C ATOM 2883 NE2 HIS A 183 -36.150 -7.910 13.637 1.00 31.97 N ATOM 0 H HIS A 183 -38.681 -10.197 17.257 1.00 31.15 H new ATOM 0 HA HIS A 183 -38.079 -11.602 14.764 1.00 31.67 H new ATOM 0 HB2 HIS A 183 -36.402 -10.454 17.020 1.00 31.92 H new ATOM 0 HB3 HIS A 183 -35.719 -11.364 15.686 1.00 31.92 H new ATOM 0 HD2 HIS A 183 -35.381 -9.940 13.341 1.00 31.92 H new ATOM 0 HE1 HIS A 183 -37.172 -6.329 14.652 1.00 31.97 H new ATOM 0 HE2 HIS A 183 -35.839 -7.437 12.788 1.00 31.97 H new ATOM 2892 N HIS A 184 -37.897 -12.923 17.761 1.00 32.40 N ATOM 2893 CA HIS A 184 -37.791 -14.179 18.490 1.00 32.88 C ATOM 2894 C HIS A 184 -38.715 -14.165 19.697 1.00 33.44 C ATOM 2895 O HIS A 184 -38.956 -13.113 20.289 1.00 33.70 O ATOM 2896 CB HIS A 184 -36.343 -14.429 18.940 1.00 33.08 C ATOM 2897 CG HIS A 184 -35.776 -13.348 19.813 1.00 32.98 C ATOM 2898 ND1 HIS A 184 -35.816 -13.386 21.189 1.00 33.08 N ATOM 2899 CD2 HIS A 184 -35.162 -12.187 19.491 1.00 32.87 C ATOM 2900 CE1 HIS A 184 -35.252 -12.296 21.672 1.00 33.03 C ATOM 2901 NE2 HIS A 184 -34.846 -11.552 20.663 1.00 32.91 N ATOM 0 H HIS A 184 -38.111 -12.115 18.345 1.00 32.40 H new ATOM 0 HA HIS A 184 -38.089 -14.987 17.822 1.00 32.88 H new ATOM 0 HB2 HIS A 184 -36.300 -15.376 19.478 1.00 33.08 H new ATOM 0 HB3 HIS A 184 -35.713 -14.536 18.057 1.00 33.08 H new ATOM 0 HD2 HIS A 184 -34.958 -11.827 18.493 1.00 32.87 H new ATOM 0 HE1 HIS A 184 -35.141 -12.054 22.719 1.00 33.03 H new ATOM 0 HE2 HIS A 184 -34.374 -10.651 20.742 1.00 32.91 H new ATOM 2910 N HIS A 185 -39.240 -15.324 20.052 1.00 33.68 N ATOM 2911 CA HIS A 185 -40.099 -15.442 21.217 1.00 34.28 C ATOM 2912 C HIS A 185 -39.871 -16.791 21.886 1.00 34.40 C ATOM 2913 O HIS A 185 -40.668 -17.721 21.653 1.00 34.51 O ATOM 2914 CB HIS A 185 -41.571 -15.277 20.821 1.00 34.66 C ATOM 2915 CG HIS A 185 -42.507 -15.203 21.991 1.00 35.20 C ATOM 2916 ND1 HIS A 185 -43.348 -16.234 22.348 1.00 35.58 N ATOM 2917 CD2 HIS A 185 -42.738 -14.208 22.879 1.00 35.50 C ATOM 2918 CE1 HIS A 185 -44.057 -15.877 23.401 1.00 36.07 C ATOM 2919 NE2 HIS A 185 -43.705 -14.653 23.745 1.00 36.03 N ATOM 2920 OXT HIS A 185 -38.875 -16.924 22.621 1.00 34.44 O ATOM 0 H HIS A 185 -39.086 -16.198 19.550 1.00 33.68 H new ATOM 0 HA HIS A 185 -39.850 -14.650 21.923 1.00 34.28 H new ATOM 0 HB2 HIS A 185 -41.678 -14.371 20.224 1.00 34.66 H new ATOM 0 HB3 HIS A 185 -41.863 -16.114 20.186 1.00 34.66 H new ATOM 0 HD2 HIS A 185 -42.252 -13.244 22.902 1.00 35.50 H new ATOM 0 HE1 HIS A 185 -44.800 -16.484 23.898 1.00 36.07 H new ATOM 0 HE2 HIS A 185 -44.089 -14.123 24.528 1.00 36.03 H new TER 2929 HIS A 185