USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 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 29 TYR OH : rot 30:sc= -0.225 USER MOD Set 1.2: A 53 SER OG : rot 107:sc= -1.14! USER MOD Single : A 8 GLN : amide:sc= -4.43! C(o=-4.4!,f=-3.4!) USER MOD Single : A 10 SER OG : rot 83:sc= 0.864 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.321 (180deg=-1.01) USER MOD Single : A 14 ASN : amide:sc= -3.03 X(o=-3,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -37:sc= -1.16! USER MOD Single : A 25 CYS SG : rot 21:sc= 0.00356 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0802 (180deg=-0.581) USER MOD Single : A 30 THR OG1 : rot 72:sc= -1.72! USER MOD Single : A 37 HIS : no HD1:sc= 0.213 K(o=0.21,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 91:sc= 0.0635 USER MOD Single : A 45 GLN : amide:sc= -7.12! C(o=-7.1!,f=-4.1!) USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 48 CYS SG : rot -179:sc= -5.8! USER MOD Single : A 60 THR OG1 : rot -150:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.0016) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.62) USER MOD Single : A 72 SER OG : rot 130:sc= -0.685 USER MOD Single : A 74 GLN : amide:sc= -2.93! C(o=-2.9!,f=-1.2!) USER MOD Single : A 77 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.7!) USER MOD Single : A 79 GLN : amide:sc= -2.31! C(o=-2.3!,f=-8.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -129:sc= -0.422 (180deg=-5.14!) USER MOD Single : A 104 ASN : amide:sc= -0.18 X(o=-0.18,f=0.049) USER MOD Single : A 107 CYS SG : rot -124:sc= -10.7! USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= -0.19 (180deg=-0.449) USER MOD Single : A 117 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-1.3!) USER MOD Single : A 122 MET CE :methyl -158:sc= -0.0162 (180deg=-0.847) USER MOD Single : A 124 CYS SG : rot 180:sc= -2.98 USER MOD Single : A 133 GLN : amide:sc= -0.0544 K(o=-0.054,f=-1.7!) USER MOD Single : A 134 GLN : amide:sc= -0.0258 K(o=-0.026,f=-0.54) USER MOD Single : A 140 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.88) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -14.711 -25.931 5.740 1.00 0.00 N ATOM 2 CA VAL A 4 -14.428 -24.995 4.611 1.00 0.00 C ATOM 3 C VAL A 4 -13.896 -25.798 3.410 1.00 0.00 C ATOM 4 O VAL A 4 -13.443 -26.914 3.566 1.00 0.00 O ATOM 5 CB VAL A 4 -13.375 -23.977 5.067 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.285 -22.833 4.055 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.765 -23.416 6.440 1.00 0.00 C ATOM 0 HA VAL A 4 -15.338 -24.472 4.316 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.406 -24.471 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.535 -22.114 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.002 -23.231 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.253 -22.338 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.016 -22.693 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.736 -22.926 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.820 -24.230 7.163 1.00 0.00 H new ATOM 17 N VAL A 5 -13.937 -25.252 2.214 1.00 0.00 N ATOM 18 CA VAL A 5 -13.415 -26.014 1.034 1.00 0.00 C ATOM 19 C VAL A 5 -11.885 -26.120 1.159 1.00 0.00 C ATOM 20 O VAL A 5 -11.231 -25.149 1.482 1.00 0.00 O ATOM 21 CB VAL A 5 -13.789 -25.260 -0.254 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.994 -23.959 -0.331 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.474 -26.119 -1.488 1.00 0.00 C ATOM 0 H VAL A 5 -14.305 -24.323 2.007 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.848 -27.014 1.000 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.857 -25.043 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.259 -23.424 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.227 -23.338 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.928 -24.184 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.744 -25.572 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.409 -26.350 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.045 -27.046 -1.441 1.00 0.00 H new ATOM 33 N PRO A 6 -11.303 -27.274 0.908 1.00 0.00 N ATOM 34 CA PRO A 6 -9.824 -27.449 1.014 1.00 0.00 C ATOM 35 C PRO A 6 -9.071 -26.742 -0.119 1.00 0.00 C ATOM 36 O PRO A 6 -7.863 -26.806 -0.198 1.00 0.00 O ATOM 37 CB PRO A 6 -9.636 -28.969 0.935 1.00 0.00 C ATOM 38 CG PRO A 6 -10.807 -29.459 0.149 1.00 0.00 C ATOM 39 CD PRO A 6 -11.966 -28.534 0.510 1.00 0.00 C ATOM 0 HA PRO A 6 -9.424 -27.011 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.696 -29.226 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.612 -29.417 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.601 -29.428 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.040 -30.494 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.636 -28.383 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.566 -28.944 1.322 1.00 0.00 H new ATOM 47 N ASP A 7 -9.767 -26.073 -0.998 1.00 0.00 N ATOM 48 CA ASP A 7 -9.047 -25.381 -2.117 1.00 0.00 C ATOM 49 C ASP A 7 -8.401 -24.089 -1.595 1.00 0.00 C ATOM 50 O ASP A 7 -7.639 -23.445 -2.289 1.00 0.00 O ATOM 51 CB ASP A 7 -10.016 -25.069 -3.286 1.00 0.00 C ATOM 52 CG ASP A 7 -10.940 -23.876 -2.978 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.478 -22.904 -2.405 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.099 -23.946 -3.357 1.00 0.00 O ATOM 0 H ASP A 7 -10.782 -25.974 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.268 -26.043 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.439 -24.856 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.622 -25.950 -3.497 1.00 0.00 H new ATOM 59 N GLN A 8 -8.693 -23.705 -0.374 1.00 0.00 N ATOM 60 CA GLN A 8 -8.078 -22.456 0.183 1.00 0.00 C ATOM 61 C GLN A 8 -6.681 -22.787 0.699 1.00 0.00 C ATOM 62 O GLN A 8 -5.680 -22.356 0.169 1.00 0.00 O ATOM 63 CB GLN A 8 -8.923 -21.940 1.351 1.00 0.00 C ATOM 64 CG GLN A 8 -10.382 -21.860 0.923 1.00 0.00 C ATOM 65 CD GLN A 8 -11.197 -21.150 2.004 1.00 0.00 C ATOM 66 OE1 GLN A 8 -12.383 -20.936 1.847 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.603 -20.761 3.096 1.00 0.00 N ATOM 0 H GLN A 8 -9.325 -24.198 0.257 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.029 -21.695 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.820 -22.604 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.570 -20.957 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.465 -21.322 -0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.777 -22.862 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.608 -20.941 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.133 -20.276 3.820 1.00 0.00 H new ATOM 76 N ARG A 9 -6.623 -23.568 1.734 1.00 0.00 N ATOM 77 CA ARG A 9 -5.316 -23.971 2.308 1.00 0.00 C ATOM 78 C ARG A 9 -4.457 -24.613 1.220 1.00 0.00 C ATOM 79 O ARG A 9 -3.259 -24.438 1.177 1.00 0.00 O ATOM 80 CB ARG A 9 -5.563 -24.986 3.426 1.00 0.00 C ATOM 81 CG ARG A 9 -6.332 -24.311 4.560 1.00 0.00 C ATOM 82 CD ARG A 9 -6.473 -25.281 5.731 1.00 0.00 C ATOM 83 NE ARG A 9 -5.139 -25.473 6.360 1.00 0.00 N ATOM 84 CZ ARG A 9 -5.044 -26.026 7.533 1.00 0.00 C ATOM 85 NH1 ARG A 9 -6.118 -26.466 8.134 1.00 0.00 N ATOM 86 NH2 ARG A 9 -3.875 -26.133 8.102 1.00 0.00 N ATOM 0 H ARG A 9 -7.438 -23.950 2.214 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.799 -23.097 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.128 -25.836 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.614 -25.375 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.809 -23.410 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.317 -24.001 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.181 -24.890 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.867 -26.236 5.384 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.297 -25.170 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.028 -26.375 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.046 -26.900 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.043 -25.784 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.793 -26.566 9.022 1.00 0.00 H new ATOM 100 N SER A 10 -5.063 -25.391 0.368 1.00 0.00 N ATOM 101 CA SER A 10 -4.284 -26.090 -0.690 1.00 0.00 C ATOM 102 C SER A 10 -3.626 -25.113 -1.667 1.00 0.00 C ATOM 103 O SER A 10 -2.448 -25.208 -1.926 1.00 0.00 O ATOM 104 CB SER A 10 -5.210 -27.020 -1.468 1.00 0.00 C ATOM 105 OG SER A 10 -5.836 -27.923 -0.565 1.00 0.00 O ATOM 0 H SER A 10 -6.067 -25.573 0.359 1.00 0.00 H new ATOM 0 HA SER A 10 -3.493 -26.653 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.963 -26.440 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.644 -27.572 -2.218 1.00 0.00 H new ATOM 0 HG SER A 10 -6.614 -27.490 -0.156 1.00 0.00 H new ATOM 111 N LYS A 11 -4.345 -24.194 -2.243 1.00 0.00 N ATOM 112 CA LYS A 11 -3.663 -23.290 -3.209 1.00 0.00 C ATOM 113 C LYS A 11 -2.585 -22.472 -2.496 1.00 0.00 C ATOM 114 O LYS A 11 -1.472 -22.364 -2.967 1.00 0.00 O ATOM 115 CB LYS A 11 -4.676 -22.369 -3.909 1.00 0.00 C ATOM 116 CG LYS A 11 -5.128 -21.242 -2.969 1.00 0.00 C ATOM 117 CD LYS A 11 -6.396 -20.565 -3.517 1.00 0.00 C ATOM 118 CE LYS A 11 -6.035 -19.619 -4.669 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.087 -18.571 -4.189 1.00 0.00 N ATOM 0 H LYS A 11 -5.341 -24.031 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.185 -23.901 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.227 -21.942 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.541 -22.950 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.323 -21.645 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.331 -20.506 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.100 -21.321 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.893 -20.009 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.584 -20.183 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.937 -19.152 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.082 -17.775 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.387 -18.234 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.130 -18.973 -4.122 1.00 0.00 H new ATOM 133 N PHE A 12 -2.890 -21.897 -1.369 1.00 0.00 N ATOM 134 CA PHE A 12 -1.860 -21.092 -0.652 1.00 0.00 C ATOM 135 C PHE A 12 -0.643 -21.955 -0.243 1.00 0.00 C ATOM 136 O PHE A 12 0.478 -21.491 -0.236 1.00 0.00 O ATOM 137 CB PHE A 12 -2.485 -20.418 0.587 1.00 0.00 C ATOM 138 CG PHE A 12 -1.399 -19.845 1.482 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.750 -20.679 2.404 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.036 -18.489 1.393 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.255 -20.166 3.232 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.029 -17.983 2.224 1.00 0.00 C ATOM 143 CZ PHE A 12 0.614 -18.819 3.141 1.00 0.00 C ATOM 0 H PHE A 12 -3.801 -21.947 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.500 -20.323 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.163 -19.624 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.078 -21.144 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.027 -21.721 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.532 -17.840 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.753 -20.811 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.252 -16.942 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.389 -18.423 3.780 1.00 0.00 H new ATOM 153 N GLU A 13 -0.847 -23.182 0.151 1.00 0.00 N ATOM 154 CA GLU A 13 0.312 -24.009 0.608 1.00 0.00 C ATOM 155 C GLU A 13 1.245 -24.436 -0.543 1.00 0.00 C ATOM 156 O GLU A 13 2.419 -24.657 -0.320 1.00 0.00 O ATOM 157 CB GLU A 13 -0.218 -25.227 1.384 1.00 0.00 C ATOM 158 CG GLU A 13 -0.571 -26.393 0.434 1.00 0.00 C ATOM 159 CD GLU A 13 0.602 -27.375 0.345 1.00 0.00 C ATOM 160 OE1 GLU A 13 1.622 -27.004 -0.208 1.00 0.00 O ATOM 161 OE2 GLU A 13 0.458 -28.482 0.839 1.00 0.00 O ATOM 0 H GLU A 13 -1.755 -23.646 0.177 1.00 0.00 H new ATOM 0 HA GLU A 13 0.927 -23.392 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.532 -25.556 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.102 -24.940 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.461 -26.909 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.807 -26.006 -0.557 1.00 0.00 H new ATOM 168 N ASN A 14 0.764 -24.584 -1.761 1.00 0.00 N ATOM 169 CA ASN A 14 1.690 -25.028 -2.864 1.00 0.00 C ATOM 170 C ASN A 14 2.222 -23.836 -3.672 1.00 0.00 C ATOM 171 O ASN A 14 3.206 -23.965 -4.374 1.00 0.00 O ATOM 172 CB ASN A 14 0.965 -25.987 -3.813 1.00 0.00 C ATOM 173 CG ASN A 14 -0.139 -25.244 -4.562 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.134 -24.397 -5.389 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.383 -25.540 -4.314 1.00 0.00 N ATOM 0 H ASN A 14 -0.205 -24.422 -2.036 1.00 0.00 H new ATOM 0 HA ASN A 14 2.533 -25.534 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.673 -26.414 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.539 -26.817 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.131 -25.060 -4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.609 -26.252 -3.619 1.00 0.00 H new ATOM 182 N GLU A 15 1.608 -22.678 -3.598 1.00 0.00 N ATOM 183 CA GLU A 15 2.138 -21.522 -4.393 1.00 0.00 C ATOM 184 C GLU A 15 3.325 -20.878 -3.667 1.00 0.00 C ATOM 185 O GLU A 15 3.192 -20.312 -2.599 1.00 0.00 O ATOM 186 CB GLU A 15 1.042 -20.465 -4.614 1.00 0.00 C ATOM 187 CG GLU A 15 -0.073 -21.028 -5.508 1.00 0.00 C ATOM 188 CD GLU A 15 -1.142 -19.952 -5.726 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.856 -18.798 -5.453 1.00 0.00 O ATOM 190 OE2 GLU A 15 -2.223 -20.299 -6.173 1.00 0.00 O ATOM 0 H GLU A 15 0.780 -22.484 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 15 2.466 -21.900 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.627 -20.157 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.473 -19.576 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.339 -21.346 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.517 -21.909 -5.044 1.00 0.00 H new ATOM 197 N GLU A 16 4.484 -20.946 -4.260 1.00 0.00 N ATOM 198 CA GLU A 16 5.694 -20.333 -3.644 1.00 0.00 C ATOM 199 C GLU A 16 5.715 -18.824 -3.937 1.00 0.00 C ATOM 200 O GLU A 16 6.612 -18.122 -3.541 1.00 0.00 O ATOM 201 CB GLU A 16 6.947 -21.015 -4.209 1.00 0.00 C ATOM 202 CG GLU A 16 6.907 -22.507 -3.855 1.00 0.00 C ATOM 203 CD GLU A 16 8.199 -23.185 -4.315 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.090 -22.480 -4.758 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.277 -24.399 -4.213 1.00 0.00 O ATOM 0 H GLU A 16 4.646 -21.406 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 16 5.674 -20.473 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.991 -20.886 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.845 -20.554 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.784 -22.631 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.048 -22.980 -4.331 1.00 0.00 H new ATOM 212 N PHE A 17 4.726 -18.328 -4.635 1.00 0.00 N ATOM 213 CA PHE A 17 4.680 -16.865 -4.977 1.00 0.00 C ATOM 214 C PHE A 17 4.731 -15.981 -3.713 1.00 0.00 C ATOM 215 O PHE A 17 5.105 -14.824 -3.789 1.00 0.00 O ATOM 216 CB PHE A 17 3.394 -16.589 -5.815 1.00 0.00 C ATOM 217 CG PHE A 17 2.804 -15.208 -5.537 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.560 -14.049 -5.748 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.484 -15.097 -5.063 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.001 -12.788 -5.482 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.933 -13.839 -4.801 1.00 0.00 C ATOM 222 CZ PHE A 17 1.689 -12.686 -5.008 1.00 0.00 C ATOM 0 H PHE A 17 3.940 -18.874 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 17 5.560 -16.607 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.630 -16.674 -6.876 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.648 -17.352 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.573 -14.124 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.894 -15.987 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.586 -11.895 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.081 -13.760 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.262 -11.715 -4.803 1.00 0.00 H new ATOM 232 N PHE A 18 4.363 -16.478 -2.563 1.00 0.00 N ATOM 233 CA PHE A 18 4.398 -15.595 -1.363 1.00 0.00 C ATOM 234 C PHE A 18 5.834 -15.366 -0.900 1.00 0.00 C ATOM 235 O PHE A 18 6.289 -14.254 -0.864 1.00 0.00 O ATOM 236 CB PHE A 18 3.601 -16.235 -0.227 1.00 0.00 C ATOM 237 CG PHE A 18 2.281 -16.704 -0.776 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.339 -15.769 -1.220 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.003 -18.069 -0.852 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.115 -16.204 -1.741 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.786 -18.502 -1.373 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.163 -17.572 -1.816 1.00 0.00 C ATOM 0 H PHE A 18 4.047 -17.435 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 18 3.957 -14.635 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.154 -17.073 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.443 -15.516 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.556 -14.713 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.730 -18.789 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.613 -15.484 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.573 -19.559 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.108 -17.911 -2.215 1.00 0.00 H new ATOM 252 N ARG A 19 6.567 -16.379 -0.551 1.00 0.00 N ATOM 253 CA ARG A 19 7.959 -16.115 -0.091 1.00 0.00 C ATOM 254 C ARG A 19 8.737 -15.358 -1.172 1.00 0.00 C ATOM 255 O ARG A 19 9.624 -14.590 -0.866 1.00 0.00 O ATOM 256 CB ARG A 19 8.673 -17.425 0.302 1.00 0.00 C ATOM 257 CG ARG A 19 8.107 -18.606 -0.504 1.00 0.00 C ATOM 258 CD ARG A 19 6.941 -19.256 0.269 1.00 0.00 C ATOM 259 NE ARG A 19 7.469 -20.197 1.316 1.00 0.00 N ATOM 260 CZ ARG A 19 8.245 -21.203 1.009 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.472 -21.502 -0.240 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.746 -21.949 1.953 1.00 0.00 N ATOM 0 H ARG A 19 6.276 -17.357 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 19 7.917 -15.490 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.744 -17.332 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.546 -17.610 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.762 -18.261 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.890 -19.342 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.332 -18.484 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.294 -19.796 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 19 7.215 -20.046 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.043 -20.950 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.078 -22.288 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.532 -21.747 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.352 -22.734 1.715 1.00 0.00 H new ATOM 276 N LYS A 20 8.438 -15.549 -2.426 1.00 0.00 N ATOM 277 CA LYS A 20 9.204 -14.793 -3.460 1.00 0.00 C ATOM 278 C LYS A 20 9.029 -13.268 -3.299 1.00 0.00 C ATOM 279 O LYS A 20 9.960 -12.518 -3.509 1.00 0.00 O ATOM 280 CB LYS A 20 8.771 -15.222 -4.861 1.00 0.00 C ATOM 281 CG LYS A 20 9.090 -16.706 -5.059 1.00 0.00 C ATOM 282 CD LYS A 20 8.747 -17.112 -6.492 1.00 0.00 C ATOM 283 CE LYS A 20 8.997 -18.610 -6.694 1.00 0.00 C ATOM 284 NZ LYS A 20 8.593 -18.987 -8.078 1.00 0.00 N ATOM 0 H LYS A 20 7.716 -16.179 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 20 10.260 -15.026 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.703 -15.047 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.287 -14.624 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.145 -16.892 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.520 -17.309 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.703 -16.879 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.351 -16.538 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.050 -18.841 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.429 -19.188 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.760 -20.003 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.583 -18.779 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.154 -18.442 -8.764 1.00 0.00 H new ATOM 298 N LEU A 21 7.845 -12.797 -2.956 1.00 0.00 N ATOM 299 CA LEU A 21 7.627 -11.307 -2.820 1.00 0.00 C ATOM 300 C LEU A 21 6.922 -10.959 -1.504 1.00 0.00 C ATOM 301 O LEU A 21 6.776 -9.803 -1.157 1.00 0.00 O ATOM 302 CB LEU A 21 6.775 -10.828 -3.998 1.00 0.00 C ATOM 303 CG LEU A 21 7.512 -11.115 -5.317 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.572 -10.860 -6.496 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.743 -10.203 -5.448 1.00 0.00 C ATOM 0 H LEU A 21 7.025 -13.373 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 21 8.598 -10.811 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.810 -11.334 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.576 -9.760 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 21 7.835 -12.156 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.096 -11.064 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.704 -11.514 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.246 -9.820 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.256 -10.416 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.426 -9.160 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.421 -10.385 -4.614 1.00 0.00 H new ATOM 317 N SER A 22 6.488 -11.936 -0.770 1.00 0.00 N ATOM 318 CA SER A 22 5.802 -11.654 0.527 1.00 0.00 C ATOM 319 C SER A 22 6.856 -11.392 1.604 1.00 0.00 C ATOM 320 O SER A 22 6.564 -11.349 2.780 1.00 0.00 O ATOM 321 CB SER A 22 4.943 -12.845 0.947 1.00 0.00 C ATOM 322 OG SER A 22 5.794 -13.908 1.347 1.00 0.00 O ATOM 0 H SER A 22 6.576 -12.924 -1.007 1.00 0.00 H new ATOM 0 HA SER A 22 5.161 -10.781 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.282 -12.563 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.308 -13.162 0.120 1.00 0.00 H new ATOM 0 HG SER A 22 6.588 -13.926 0.772 1.00 0.00 H new ATOM 328 N ARG A 23 8.083 -11.243 1.207 1.00 0.00 N ATOM 329 CA ARG A 23 9.182 -10.992 2.191 1.00 0.00 C ATOM 330 C ARG A 23 9.442 -9.477 2.242 1.00 0.00 C ATOM 331 O ARG A 23 8.812 -8.708 1.525 1.00 0.00 O ATOM 332 CB ARG A 23 10.452 -11.736 1.714 1.00 0.00 C ATOM 333 CG ARG A 23 11.450 -11.925 2.870 1.00 0.00 C ATOM 334 CD ARG A 23 12.637 -12.769 2.394 1.00 0.00 C ATOM 335 NE ARG A 23 12.184 -14.172 2.089 1.00 0.00 N ATOM 336 CZ ARG A 23 11.678 -14.951 3.011 1.00 0.00 C ATOM 337 NH1 ARG A 23 11.667 -14.577 4.260 1.00 0.00 N ATOM 338 NH2 ARG A 23 11.231 -16.136 2.694 1.00 0.00 N ATOM 0 H ARG A 23 8.382 -11.284 0.233 1.00 0.00 H new ATOM 0 HA ARG A 23 8.910 -11.350 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.176 -12.708 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.925 -11.174 0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.800 -10.955 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.958 -12.413 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.079 -12.320 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.411 -12.787 3.161 1.00 0.00 H new ATOM 0 HE ARG A 23 12.274 -14.526 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.055 -13.671 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.271 -15.190 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.276 -16.456 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.837 -16.742 3.414 1.00 0.00 H new ATOM 352 N GLU A 24 10.346 -9.041 3.085 1.00 0.00 N ATOM 353 CA GLU A 24 10.673 -7.588 3.163 1.00 0.00 C ATOM 354 C GLU A 24 11.355 -7.178 1.853 1.00 0.00 C ATOM 355 O GLU A 24 12.338 -7.771 1.452 1.00 0.00 O ATOM 356 CB GLU A 24 11.602 -7.335 4.364 1.00 0.00 C ATOM 357 CG GLU A 24 12.989 -7.913 4.086 1.00 0.00 C ATOM 358 CD GLU A 24 13.807 -7.916 5.377 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.311 -7.409 6.369 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.916 -8.419 5.348 1.00 0.00 O ATOM 0 H GLU A 24 10.873 -9.635 3.725 1.00 0.00 H new ATOM 0 HA GLU A 24 9.768 -6.996 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.677 -6.265 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.182 -7.791 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.901 -8.927 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.495 -7.321 3.323 1.00 0.00 H new ATOM 367 N CYS A 25 10.838 -6.189 1.159 1.00 0.00 N ATOM 368 CA CYS A 25 11.473 -5.770 -0.139 1.00 0.00 C ATOM 369 C CYS A 25 11.595 -4.243 -0.215 1.00 0.00 C ATOM 370 O CYS A 25 10.892 -3.512 0.454 1.00 0.00 O ATOM 371 CB CYS A 25 10.618 -6.295 -1.297 1.00 0.00 C ATOM 372 SG CYS A 25 11.169 -7.961 -1.744 1.00 0.00 S ATOM 0 H CYS A 25 10.011 -5.657 1.430 1.00 0.00 H new ATOM 0 HA CYS A 25 12.478 -6.188 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.567 -6.313 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.702 -5.630 -2.156 1.00 0.00 H new ATOM 0 HG CYS A 25 11.816 -8.486 -0.746 1.00 0.00 H new ATOM 378 N GLU A 26 12.477 -3.764 -1.052 1.00 0.00 N ATOM 379 CA GLU A 26 12.648 -2.293 -1.204 1.00 0.00 C ATOM 380 C GLU A 26 11.460 -1.737 -1.997 1.00 0.00 C ATOM 381 O GLU A 26 10.975 -2.373 -2.912 1.00 0.00 O ATOM 382 CB GLU A 26 13.941 -2.019 -1.960 1.00 0.00 C ATOM 383 CG GLU A 26 15.113 -2.594 -1.167 1.00 0.00 C ATOM 384 CD GLU A 26 16.410 -2.322 -1.922 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.353 -1.628 -2.924 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.438 -2.815 -1.491 1.00 0.00 O ATOM 0 H GLU A 26 13.088 -4.332 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 26 12.692 -1.815 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.900 -2.470 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.073 -0.947 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.154 -2.142 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.980 -3.666 -1.024 1.00 0.00 H new ATOM 393 N ILE A 27 10.981 -0.556 -1.658 1.00 0.00 N ATOM 394 CA ILE A 27 9.816 0.025 -2.406 1.00 0.00 C ATOM 395 C ILE A 27 10.022 1.525 -2.646 1.00 0.00 C ATOM 396 O ILE A 27 10.760 2.199 -1.934 1.00 0.00 O ATOM 397 CB ILE A 27 8.528 -0.198 -1.598 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.488 0.688 -0.335 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.480 -1.652 -1.158 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.131 0.525 0.376 1.00 0.00 C ATOM 0 H ILE A 27 11.344 0.024 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 27 9.736 -0.472 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 27 7.679 0.060 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.298 0.411 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.643 1.732 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.571 -1.828 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.485 -2.298 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.350 -1.874 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.109 1.153 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.329 0.824 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.994 -0.517 0.664 1.00 0.00 H new ATOM 412 N LYS A 28 9.337 2.061 -3.629 1.00 0.00 N ATOM 413 CA LYS A 28 9.447 3.510 -3.922 1.00 0.00 C ATOM 414 C LYS A 28 8.122 4.017 -4.478 1.00 0.00 C ATOM 415 O LYS A 28 7.441 3.344 -5.240 1.00 0.00 O ATOM 416 CB LYS A 28 10.556 3.745 -4.946 1.00 0.00 C ATOM 417 CG LYS A 28 10.236 2.991 -6.236 1.00 0.00 C ATOM 418 CD LYS A 28 11.448 3.054 -7.165 1.00 0.00 C ATOM 419 CE LYS A 28 11.141 2.293 -8.450 1.00 0.00 C ATOM 420 NZ LYS A 28 10.019 2.965 -9.161 1.00 0.00 N ATOM 0 H LYS A 28 8.704 1.546 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 28 9.686 4.048 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.654 4.811 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.512 3.408 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.986 1.954 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.366 3.431 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.692 4.092 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.320 2.623 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.024 2.261 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.876 1.261 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.023 2.681 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.116 2.687 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.133 3.996 -9.093 1.00 0.00 H new ATOM 434 N TYR A 29 7.763 5.208 -4.095 1.00 0.00 N ATOM 435 CA TYR A 29 6.489 5.810 -4.565 1.00 0.00 C ATOM 436 C TYR A 29 6.585 6.092 -6.072 1.00 0.00 C ATOM 437 O TYR A 29 7.646 6.373 -6.593 1.00 0.00 O ATOM 438 CB TYR A 29 6.260 7.113 -3.784 1.00 0.00 C ATOM 439 CG TYR A 29 4.795 7.464 -3.777 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.229 8.147 -4.858 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.005 7.112 -2.678 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.870 8.478 -4.841 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.649 7.443 -2.658 1.00 0.00 C ATOM 444 CZ TYR A 29 2.079 8.125 -3.740 1.00 0.00 C ATOM 445 OH TYR A 29 0.738 8.449 -3.720 1.00 0.00 O ATOM 0 H TYR A 29 8.308 5.798 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 29 5.653 5.131 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.619 7.001 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.833 7.922 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.841 8.419 -5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.444 6.584 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.431 9.005 -5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.040 7.173 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 29 0.392 8.465 -4.637 1.00 0.00 H new ATOM 455 N THR A 30 5.485 6.003 -6.777 1.00 0.00 N ATOM 456 CA THR A 30 5.507 6.249 -8.254 1.00 0.00 C ATOM 457 C THR A 30 5.338 7.737 -8.546 1.00 0.00 C ATOM 458 O THR A 30 4.449 8.380 -8.033 1.00 0.00 O ATOM 459 CB THR A 30 4.363 5.471 -8.908 1.00 0.00 C ATOM 460 OG1 THR A 30 4.410 4.127 -8.456 1.00 0.00 O ATOM 461 CG2 THR A 30 4.499 5.496 -10.436 1.00 0.00 C ATOM 0 H THR A 30 4.569 5.770 -6.393 1.00 0.00 H new ATOM 0 HA THR A 30 6.464 5.917 -8.657 1.00 0.00 H new ATOM 0 HB THR A 30 3.414 5.932 -8.635 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.131 4.088 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.677 4.938 -10.884 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.471 6.528 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.446 5.040 -10.724 1.00 0.00 H new ATOM 469 N GLY A 31 6.173 8.296 -9.381 1.00 0.00 N ATOM 470 CA GLY A 31 6.022 9.741 -9.698 1.00 0.00 C ATOM 471 C GLY A 31 7.275 10.273 -10.386 1.00 0.00 C ATOM 472 O GLY A 31 8.221 9.552 -10.636 1.00 0.00 O ATOM 0 H GLY A 31 6.943 7.820 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.156 9.889 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.837 10.302 -8.782 1.00 0.00 H new ATOM 476 N PHE A 32 7.281 11.545 -10.690 1.00 0.00 N ATOM 477 CA PHE A 32 8.463 12.162 -11.363 1.00 0.00 C ATOM 478 C PHE A 32 9.330 12.849 -10.318 1.00 0.00 C ATOM 479 O PHE A 32 9.594 14.033 -10.391 1.00 0.00 O ATOM 480 CB PHE A 32 7.997 13.196 -12.384 1.00 0.00 C ATOM 481 CG PHE A 32 6.883 12.615 -13.219 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.127 11.497 -14.026 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.610 13.197 -13.194 1.00 0.00 C ATOM 484 CE1 PHE A 32 6.097 10.961 -14.806 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.582 12.664 -13.974 1.00 0.00 C ATOM 486 CZ PHE A 32 4.825 11.545 -14.781 1.00 0.00 C ATOM 0 H PHE A 32 6.512 12.187 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 32 9.035 11.385 -11.871 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.652 14.096 -11.874 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.829 13.491 -13.024 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.109 11.049 -14.046 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.423 14.059 -12.571 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.283 10.097 -15.427 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.600 13.114 -13.955 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.030 11.132 -15.385 1.00 0.00 H new ATOM 496 N ARG A 33 9.761 12.111 -9.343 1.00 0.00 N ATOM 497 CA ARG A 33 10.616 12.684 -8.272 1.00 0.00 C ATOM 498 C ARG A 33 11.912 13.308 -8.854 1.00 0.00 C ATOM 499 O ARG A 33 12.898 13.452 -8.159 1.00 0.00 O ATOM 500 CB ARG A 33 10.930 11.575 -7.253 1.00 0.00 C ATOM 501 CG ARG A 33 11.877 10.542 -7.863 1.00 0.00 C ATOM 502 CD ARG A 33 11.846 9.249 -7.033 1.00 0.00 C ATOM 503 NE ARG A 33 13.067 8.438 -7.336 1.00 0.00 N ATOM 504 CZ ARG A 33 13.389 8.126 -8.563 1.00 0.00 C ATOM 505 NH1 ARG A 33 12.546 8.313 -9.540 1.00 0.00 N ATOM 506 NH2 ARG A 33 14.538 7.564 -8.806 1.00 0.00 N ATOM 0 H ARG A 33 9.555 11.118 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 33 10.083 13.494 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.382 12.009 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.006 11.089 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.585 10.331 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.891 10.940 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.808 9.486 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.948 8.676 -7.264 1.00 0.00 H new ATOM 0 HE ARG A 33 13.660 8.122 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.624 8.707 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.808 8.066 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.183 7.369 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.794 7.319 -9.762 1.00 0.00 H new ATOM 520 N ASP A 34 11.919 13.701 -10.112 1.00 0.00 N ATOM 521 CA ASP A 34 13.142 14.330 -10.713 1.00 0.00 C ATOM 522 C ASP A 34 13.165 15.835 -10.373 1.00 0.00 C ATOM 523 O ASP A 34 14.073 16.552 -10.741 1.00 0.00 O ATOM 524 CB ASP A 34 13.109 14.125 -12.237 1.00 0.00 C ATOM 525 CG ASP A 34 14.364 14.709 -12.896 1.00 0.00 C ATOM 526 OD1 ASP A 34 15.256 15.127 -12.179 1.00 0.00 O ATOM 527 OD2 ASP A 34 14.413 14.718 -14.117 1.00 0.00 O ATOM 0 H ASP A 34 11.127 13.612 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 34 14.042 13.867 -10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.036 13.061 -12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.221 14.601 -12.653 1.00 0.00 H new ATOM 532 N ARG A 35 12.185 16.315 -9.647 1.00 0.00 N ATOM 533 CA ARG A 35 12.174 17.762 -9.252 1.00 0.00 C ATOM 534 C ARG A 35 13.045 17.908 -8.005 1.00 0.00 C ATOM 535 O ARG A 35 13.268 16.944 -7.308 1.00 0.00 O ATOM 536 CB ARG A 35 10.727 18.210 -8.953 1.00 0.00 C ATOM 537 CG ARG A 35 10.051 18.725 -10.232 1.00 0.00 C ATOM 538 CD ARG A 35 9.983 17.615 -11.287 1.00 0.00 C ATOM 539 NE ARG A 35 9.428 18.170 -12.556 1.00 0.00 N ATOM 540 CZ ARG A 35 9.547 17.494 -13.665 1.00 0.00 C ATOM 541 NH1 ARG A 35 10.061 16.295 -13.636 1.00 0.00 N ATOM 542 NH2 ARG A 35 9.136 18.007 -14.794 1.00 0.00 N ATOM 0 H ARG A 35 11.392 15.769 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 35 12.562 18.386 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.158 17.375 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.731 18.994 -8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.046 19.079 -10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.606 19.576 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.977 17.203 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.357 16.797 -10.930 1.00 0.00 H new ATOM 0 HE ARG A 35 8.957 19.075 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.367 15.892 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.157 15.760 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.721 18.939 -14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.230 17.476 -15.660 1.00 0.00 H new ATOM 556 N PRO A 36 13.550 19.088 -7.720 1.00 0.00 N ATOM 557 CA PRO A 36 14.400 19.302 -6.515 1.00 0.00 C ATOM 558 C PRO A 36 13.822 18.586 -5.276 1.00 0.00 C ATOM 559 O PRO A 36 12.822 17.906 -5.346 1.00 0.00 O ATOM 560 CB PRO A 36 14.398 20.826 -6.333 1.00 0.00 C ATOM 561 CG PRO A 36 14.175 21.391 -7.708 1.00 0.00 C ATOM 562 CD PRO A 36 13.389 20.333 -8.505 1.00 0.00 C ATOM 0 HA PRO A 36 15.403 18.893 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.611 21.139 -5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.342 21.173 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.618 22.327 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.126 21.612 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.339 20.608 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.785 20.221 -9.514 1.00 0.00 H new ATOM 570 N HIS A 37 14.440 18.726 -4.143 1.00 0.00 N ATOM 571 CA HIS A 37 13.915 18.033 -2.934 1.00 0.00 C ATOM 572 C HIS A 37 12.493 18.508 -2.645 1.00 0.00 C ATOM 573 O HIS A 37 11.773 17.892 -1.896 1.00 0.00 O ATOM 574 CB HIS A 37 14.799 18.367 -1.736 1.00 0.00 C ATOM 575 CG HIS A 37 16.212 17.914 -1.999 1.00 0.00 C ATOM 576 ND1 HIS A 37 17.084 18.659 -2.777 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.930 16.822 -1.573 1.00 0.00 C ATOM 578 CE1 HIS A 37 18.265 18.016 -2.794 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.226 16.890 -2.076 1.00 0.00 N ATOM 0 H HIS A 37 15.280 19.285 -3.998 1.00 0.00 H new ATOM 0 HA HIS A 37 13.914 16.957 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.781 19.440 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.412 17.880 -0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.547 16.032 -0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 37 19.138 18.367 -3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.984 16.223 -1.928 1.00 0.00 H new ATOM 587 N GLU A 38 12.081 19.601 -3.220 1.00 0.00 N ATOM 588 CA GLU A 38 10.699 20.102 -2.950 1.00 0.00 C ATOM 589 C GLU A 38 9.673 19.058 -3.368 1.00 0.00 C ATOM 590 O GLU A 38 8.502 19.166 -3.068 1.00 0.00 O ATOM 591 CB GLU A 38 10.450 21.403 -3.723 1.00 0.00 C ATOM 592 CG GLU A 38 10.373 21.108 -5.228 1.00 0.00 C ATOM 593 CD GLU A 38 10.343 22.418 -6.017 1.00 0.00 C ATOM 594 OE1 GLU A 38 10.089 23.447 -5.415 1.00 0.00 O ATOM 595 OE2 GLU A 38 10.563 22.368 -7.218 1.00 0.00 O ATOM 0 H GLU A 38 12.634 20.169 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 38 10.601 20.294 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.522 21.865 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.251 22.114 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.231 20.509 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.481 20.522 -5.447 1.00 0.00 H new ATOM 602 N GLU A 39 10.091 18.073 -4.095 1.00 0.00 N ATOM 603 CA GLU A 39 9.128 17.054 -4.566 1.00 0.00 C ATOM 604 C GLU A 39 8.683 16.164 -3.409 1.00 0.00 C ATOM 605 O GLU A 39 7.586 15.644 -3.405 1.00 0.00 O ATOM 606 CB GLU A 39 9.819 16.201 -5.626 1.00 0.00 C ATOM 607 CG GLU A 39 10.865 15.294 -4.958 1.00 0.00 C ATOM 608 CD GLU A 39 11.832 14.763 -6.010 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.739 15.208 -7.138 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.643 13.920 -5.670 1.00 0.00 O ATOM 0 H GLU A 39 11.058 17.928 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 39 8.247 17.545 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.084 15.596 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.298 16.841 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.411 15.852 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.371 14.464 -4.452 1.00 0.00 H new ATOM 617 N ARG A 40 9.525 15.962 -2.438 1.00 0.00 N ATOM 618 CA ARG A 40 9.129 15.076 -1.308 1.00 0.00 C ATOM 619 C ARG A 40 7.924 15.653 -0.548 1.00 0.00 C ATOM 620 O ARG A 40 6.964 14.957 -0.291 1.00 0.00 O ATOM 621 CB ARG A 40 10.314 14.878 -0.345 1.00 0.00 C ATOM 622 CG ARG A 40 10.848 16.242 0.190 1.00 0.00 C ATOM 623 CD ARG A 40 10.549 16.388 1.691 1.00 0.00 C ATOM 624 NE ARG A 40 10.791 17.805 2.132 1.00 0.00 N ATOM 625 CZ ARG A 40 11.950 18.378 1.963 1.00 0.00 C ATOM 626 NH1 ARG A 40 12.986 17.664 1.627 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.094 19.654 2.207 1.00 0.00 N ATOM 0 H ARG A 40 10.460 16.366 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 40 8.840 14.110 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.003 14.254 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.116 14.347 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.922 16.310 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.385 17.061 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.515 16.108 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.180 15.708 2.263 1.00 0.00 H new ATOM 0 HE ARG A 40 10.034 18.328 2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.891 16.657 1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.893 18.112 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.298 20.204 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.002 20.099 2.074 1.00 0.00 H new ATOM 641 N GLN A 41 7.963 16.912 -0.179 1.00 0.00 N ATOM 642 CA GLN A 41 6.820 17.513 0.575 1.00 0.00 C ATOM 643 C GLN A 41 5.595 17.686 -0.325 1.00 0.00 C ATOM 644 O GLN A 41 4.500 17.291 0.023 1.00 0.00 O ATOM 645 CB GLN A 41 7.257 18.870 1.143 1.00 0.00 C ATOM 646 CG GLN A 41 7.632 19.827 0.003 1.00 0.00 C ATOM 647 CD GLN A 41 8.467 20.986 0.560 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.441 20.764 1.251 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.122 22.217 0.299 1.00 0.00 N ATOM 0 H GLN A 41 8.738 17.548 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 41 6.540 16.843 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.451 19.300 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.109 18.736 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.196 19.294 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.731 20.211 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.304 22.405 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.670 22.991 0.675 1.00 0.00 H new ATOM 658 N THR A 42 5.762 18.284 -1.469 1.00 0.00 N ATOM 659 CA THR A 42 4.599 18.497 -2.372 1.00 0.00 C ATOM 660 C THR A 42 3.987 17.153 -2.748 1.00 0.00 C ATOM 661 O THR A 42 2.787 17.020 -2.842 1.00 0.00 O ATOM 662 CB THR A 42 5.060 19.254 -3.629 1.00 0.00 C ATOM 663 OG1 THR A 42 5.627 20.493 -3.233 1.00 0.00 O ATOM 664 CG2 THR A 42 3.877 19.528 -4.565 1.00 0.00 C ATOM 0 H THR A 42 6.654 18.635 -1.818 1.00 0.00 H new ATOM 0 HA THR A 42 3.841 19.091 -1.862 1.00 0.00 H new ATOM 0 HB THR A 42 5.792 18.644 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.591 20.382 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.227 20.064 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.428 18.583 -4.870 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.134 20.132 -4.045 1.00 0.00 H new ATOM 672 N ARG A 43 4.782 16.152 -2.981 1.00 0.00 N ATOM 673 CA ARG A 43 4.182 14.849 -3.363 1.00 0.00 C ATOM 674 C ARG A 43 3.253 14.343 -2.261 1.00 0.00 C ATOM 675 O ARG A 43 2.209 13.798 -2.541 1.00 0.00 O ATOM 676 CB ARG A 43 5.287 13.812 -3.623 1.00 0.00 C ATOM 677 CG ARG A 43 4.691 12.537 -4.243 1.00 0.00 C ATOM 678 CD ARG A 43 4.509 12.712 -5.752 1.00 0.00 C ATOM 679 NE ARG A 43 4.020 11.429 -6.314 1.00 0.00 N ATOM 680 CZ ARG A 43 3.509 11.388 -7.508 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.526 12.447 -8.270 1.00 0.00 N ATOM 682 NH2 ARG A 43 2.994 10.278 -7.950 1.00 0.00 N ATOM 0 H ARG A 43 5.800 16.176 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 43 3.602 14.993 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.039 14.232 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.792 13.568 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.346 11.689 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.731 12.314 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.798 13.512 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.453 12.996 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 43 4.085 10.575 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.942 13.314 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.123 12.408 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.993 9.446 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.591 10.240 -8.886 1.00 0.00 H new ATOM 696 N PHE A 44 3.611 14.484 -1.016 1.00 0.00 N ATOM 697 CA PHE A 44 2.717 13.959 0.046 1.00 0.00 C ATOM 698 C PHE A 44 1.362 14.669 0.063 1.00 0.00 C ATOM 699 O PHE A 44 0.336 14.032 0.087 1.00 0.00 O ATOM 700 CB PHE A 44 3.390 14.107 1.412 1.00 0.00 C ATOM 701 CG PHE A 44 4.530 13.112 1.543 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.286 11.730 1.455 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.840 13.573 1.745 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.348 10.823 1.571 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.897 12.662 1.859 1.00 0.00 C ATOM 706 CZ PHE A 44 6.652 11.290 1.771 1.00 0.00 C ATOM 0 H PHE A 44 4.469 14.932 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 44 2.537 12.906 -0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.768 15.122 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.661 13.943 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.281 11.368 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.033 14.633 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.160 9.762 1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.904 13.021 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.469 10.589 1.857 1.00 0.00 H new ATOM 716 N GLN A 45 1.321 15.974 0.076 1.00 0.00 N ATOM 717 CA GLN A 45 -0.018 16.629 0.137 1.00 0.00 C ATOM 718 C GLN A 45 -0.800 16.402 -1.150 1.00 0.00 C ATOM 719 O GLN A 45 -1.931 15.977 -1.112 1.00 0.00 O ATOM 720 CB GLN A 45 0.115 18.141 0.405 1.00 0.00 C ATOM 721 CG GLN A 45 1.314 18.738 -0.363 1.00 0.00 C ATOM 722 CD GLN A 45 2.521 18.890 0.570 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.306 19.809 0.433 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.704 18.009 1.511 1.00 0.00 N ATOM 0 H GLN A 45 2.127 16.598 0.048 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.564 16.173 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.802 18.649 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.241 18.314 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.574 18.094 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.042 19.709 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.044 17.239 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.507 18.089 2.135 1.00 0.00 H new ATOM 733 N ASN A 46 -0.229 16.695 -2.279 1.00 0.00 N ATOM 734 CA ASN A 46 -0.985 16.496 -3.543 1.00 0.00 C ATOM 735 C ASN A 46 -1.297 15.017 -3.745 1.00 0.00 C ATOM 736 O ASN A 46 -2.310 14.659 -4.324 1.00 0.00 O ATOM 737 CB ASN A 46 -0.193 17.035 -4.737 1.00 0.00 C ATOM 738 CG ASN A 46 1.017 16.142 -5.029 1.00 0.00 C ATOM 739 OD1 ASN A 46 2.134 16.612 -5.041 1.00 0.00 O ATOM 740 ND2 ASN A 46 0.844 14.871 -5.280 1.00 0.00 N ATOM 0 H ASN A 46 0.718 17.060 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.922 17.048 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.837 17.083 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.140 18.052 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.648 14.278 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.095 14.472 -5.271 1.00 0.00 H new ATOM 747 N ALA A 47 -0.446 14.136 -3.284 1.00 0.00 N ATOM 748 CA ALA A 47 -0.734 12.691 -3.489 1.00 0.00 C ATOM 749 C ALA A 47 -1.678 12.220 -2.387 1.00 0.00 C ATOM 750 O ALA A 47 -2.569 11.428 -2.618 1.00 0.00 O ATOM 751 CB ALA A 47 0.559 11.867 -3.455 1.00 0.00 C ATOM 0 H ALA A 47 0.417 14.351 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.197 12.552 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.323 10.814 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.228 12.207 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.046 11.994 -2.488 1.00 0.00 H new ATOM 757 N CYS A 48 -1.512 12.718 -1.196 1.00 0.00 N ATOM 758 CA CYS A 48 -2.422 12.312 -0.097 1.00 0.00 C ATOM 759 C CYS A 48 -3.866 12.694 -0.441 1.00 0.00 C ATOM 760 O CYS A 48 -4.784 11.944 -0.169 1.00 0.00 O ATOM 761 CB CYS A 48 -1.992 12.979 1.199 1.00 0.00 C ATOM 762 SG CYS A 48 -0.472 12.196 1.791 1.00 0.00 S ATOM 0 H CYS A 48 -0.787 13.387 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.371 11.231 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.828 14.044 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.779 12.888 1.948 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.112 12.741 2.915 1.00 0.00 H new ATOM 768 N ARG A 49 -4.094 13.831 -1.051 1.00 0.00 N ATOM 769 CA ARG A 49 -5.500 14.160 -1.400 1.00 0.00 C ATOM 770 C ARG A 49 -5.986 13.070 -2.357 1.00 0.00 C ATOM 771 O ARG A 49 -7.055 12.521 -2.190 1.00 0.00 O ATOM 772 CB ARG A 49 -5.587 15.559 -2.021 1.00 0.00 C ATOM 773 CG ARG A 49 -4.517 15.709 -3.094 1.00 0.00 C ATOM 774 CD ARG A 49 -4.628 17.088 -3.738 1.00 0.00 C ATOM 775 NE ARG A 49 -3.773 17.148 -4.958 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.984 18.082 -5.846 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.889 18.993 -5.629 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.284 18.122 -6.947 1.00 0.00 N ATOM 0 H ARG A 49 -3.391 14.522 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.136 14.184 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.575 15.715 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.453 16.319 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.527 15.580 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.635 14.933 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.666 17.294 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.320 17.856 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.029 16.465 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.432 18.977 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.054 19.723 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.565 17.420 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.456 18.855 -7.635 1.00 0.00 H new ATOM 792 N ASP A 50 -5.161 12.673 -3.302 1.00 0.00 N ATOM 793 CA ASP A 50 -5.539 11.534 -4.192 1.00 0.00 C ATOM 794 C ASP A 50 -4.974 10.278 -3.523 1.00 0.00 C ATOM 795 O ASP A 50 -3.866 9.850 -3.768 1.00 0.00 O ATOM 796 CB ASP A 50 -4.967 11.704 -5.612 1.00 0.00 C ATOM 797 CG ASP A 50 -3.477 12.031 -5.571 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.710 11.146 -5.242 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.130 13.152 -5.901 1.00 0.00 O ATOM 0 H ASP A 50 -4.249 13.088 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.621 11.477 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.126 10.789 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.503 12.500 -6.130 1.00 0.00 H new ATOM 804 N GLY A 51 -5.737 9.724 -2.636 1.00 0.00 N ATOM 805 CA GLY A 51 -5.289 8.524 -1.864 1.00 0.00 C ATOM 806 C GLY A 51 -5.156 7.303 -2.775 1.00 0.00 C ATOM 807 O GLY A 51 -5.047 6.186 -2.311 1.00 0.00 O ATOM 0 H GLY A 51 -6.674 10.053 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.331 8.731 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.003 8.312 -1.068 1.00 0.00 H new ATOM 811 N ARG A 52 -5.136 7.510 -4.062 1.00 0.00 N ATOM 812 CA ARG A 52 -4.973 6.366 -5.007 1.00 0.00 C ATOM 813 C ARG A 52 -3.495 6.341 -5.380 1.00 0.00 C ATOM 814 O ARG A 52 -3.089 6.830 -6.414 1.00 0.00 O ATOM 815 CB ARG A 52 -5.810 6.640 -6.259 1.00 0.00 C ATOM 816 CG ARG A 52 -7.243 7.007 -5.858 1.00 0.00 C ATOM 817 CD ARG A 52 -8.116 7.118 -7.111 1.00 0.00 C ATOM 818 NE ARG A 52 -7.517 8.098 -8.068 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.940 8.132 -9.306 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.916 7.350 -9.674 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.391 8.944 -10.171 1.00 0.00 N ATOM 0 H ARG A 52 -5.226 8.425 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.292 5.420 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.365 7.452 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.817 5.760 -6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.648 6.250 -5.186 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.248 7.952 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.208 6.142 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.122 7.435 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.784 8.736 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.345 6.717 -8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.251 7.371 -10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.628 9.556 -9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.726 8.965 -11.134 1.00 0.00 H new ATOM 835 N SER A 53 -2.684 5.821 -4.508 1.00 0.00 N ATOM 836 CA SER A 53 -1.218 5.806 -4.756 1.00 0.00 C ATOM 837 C SER A 53 -0.778 4.622 -5.611 1.00 0.00 C ATOM 838 O SER A 53 -1.207 3.506 -5.402 1.00 0.00 O ATOM 839 CB SER A 53 -0.496 5.728 -3.423 1.00 0.00 C ATOM 840 OG SER A 53 0.888 5.832 -3.671 1.00 0.00 O ATOM 0 H SER A 53 -2.976 5.401 -3.625 1.00 0.00 H new ATOM 0 HA SER A 53 -0.970 6.719 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.826 6.530 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.724 4.788 -2.921 1.00 0.00 H new ATOM 0 HG SER A 53 1.205 6.716 -3.390 1.00 0.00 H new ATOM 846 N GLU A 54 0.142 4.847 -6.520 1.00 0.00 N ATOM 847 CA GLU A 54 0.694 3.724 -7.329 1.00 0.00 C ATOM 848 C GLU A 54 2.124 3.517 -6.836 1.00 0.00 C ATOM 849 O GLU A 54 2.886 4.454 -6.733 1.00 0.00 O ATOM 850 CB GLU A 54 0.715 4.084 -8.817 1.00 0.00 C ATOM 851 CG GLU A 54 -0.713 4.336 -9.309 1.00 0.00 C ATOM 852 CD GLU A 54 -0.698 4.584 -10.818 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.197 5.273 -11.278 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.589 4.086 -11.488 1.00 0.00 O ATOM 0 H GLU A 54 0.533 5.765 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 54 0.084 2.827 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.327 4.972 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.170 3.276 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.345 3.479 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.140 5.196 -8.793 1.00 0.00 H new ATOM 861 N ILE A 55 2.495 2.315 -6.504 1.00 0.00 N ATOM 862 CA ILE A 55 3.877 2.071 -5.994 1.00 0.00 C ATOM 863 C ILE A 55 4.313 0.673 -6.402 1.00 0.00 C ATOM 864 O ILE A 55 3.497 -0.168 -6.719 1.00 0.00 O ATOM 865 CB ILE A 55 3.875 2.211 -4.469 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.129 1.550 -3.861 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.611 1.553 -3.910 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.446 2.144 -2.481 1.00 0.00 C ATOM 0 H ILE A 55 1.902 1.487 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 55 4.574 2.795 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 55 3.888 3.269 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.971 0.475 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.980 1.693 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.601 1.648 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.731 2.044 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.600 0.498 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.334 1.662 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.627 3.215 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.603 1.978 -1.811 1.00 0.00 H new ATOM 880 N ALA A 56 5.594 0.412 -6.413 1.00 0.00 N ATOM 881 CA ALA A 56 6.060 -0.947 -6.823 1.00 0.00 C ATOM 882 C ALA A 56 7.277 -1.392 -6.026 1.00 0.00 C ATOM 883 O ALA A 56 7.899 -0.628 -5.308 1.00 0.00 O ATOM 884 CB ALA A 56 6.425 -0.934 -8.306 1.00 0.00 C ATOM 0 H ALA A 56 6.330 1.071 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 56 5.247 -1.647 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.765 -1.925 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.550 -0.658 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.221 -0.210 -8.478 1.00 0.00 H new ATOM 890 N PHE A 57 7.627 -2.640 -6.183 1.00 0.00 N ATOM 891 CA PHE A 57 8.816 -3.196 -5.492 1.00 0.00 C ATOM 892 C PHE A 57 10.008 -3.003 -6.430 1.00 0.00 C ATOM 893 O PHE A 57 9.934 -3.340 -7.596 1.00 0.00 O ATOM 894 CB PHE A 57 8.632 -4.705 -5.251 1.00 0.00 C ATOM 895 CG PHE A 57 7.423 -5.014 -4.382 1.00 0.00 C ATOM 896 CD1 PHE A 57 6.176 -5.232 -4.976 1.00 0.00 C ATOM 897 CD2 PHE A 57 7.562 -5.142 -2.989 1.00 0.00 C ATOM 898 CE1 PHE A 57 5.069 -5.575 -4.186 1.00 0.00 C ATOM 899 CE2 PHE A 57 6.450 -5.481 -2.200 1.00 0.00 C ATOM 900 CZ PHE A 57 5.208 -5.699 -2.798 1.00 0.00 C ATOM 0 H PHE A 57 7.127 -3.306 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 57 8.963 -2.698 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.525 -5.212 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.528 -5.106 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.065 -5.136 -6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.524 -4.980 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.108 -5.744 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.557 -5.573 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.355 -5.963 -2.191 1.00 0.00 H new ATOM 910 N VAL A 58 11.104 -2.481 -5.968 1.00 0.00 N ATOM 911 CA VAL A 58 12.250 -2.316 -6.898 1.00 0.00 C ATOM 912 C VAL A 58 12.615 -3.699 -7.435 1.00 0.00 C ATOM 913 O VAL A 58 12.907 -3.872 -8.602 1.00 0.00 O ATOM 914 CB VAL A 58 13.452 -1.721 -6.173 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.643 -1.688 -7.136 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.124 -0.299 -5.695 1.00 0.00 C ATOM 0 H VAL A 58 11.256 -2.167 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 58 11.974 -1.640 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 58 13.698 -2.332 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.510 -1.264 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.874 -2.702 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.394 -1.075 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.988 0.119 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.877 0.326 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.274 -0.331 -5.014 1.00 0.00 H new ATOM 926 N ALA A 59 12.588 -4.688 -6.586 1.00 0.00 N ATOM 927 CA ALA A 59 12.898 -6.070 -7.039 1.00 0.00 C ATOM 928 C ALA A 59 11.754 -6.554 -7.937 1.00 0.00 C ATOM 929 O ALA A 59 10.603 -6.285 -7.669 1.00 0.00 O ATOM 930 CB ALA A 59 13.051 -6.984 -5.819 1.00 0.00 C ATOM 0 H ALA A 59 12.364 -4.597 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 59 13.832 -6.089 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.278 -7.997 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.862 -6.618 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.122 -6.988 -5.249 1.00 0.00 H new ATOM 936 N THR A 60 12.052 -7.252 -9.000 1.00 0.00 N ATOM 937 CA THR A 60 10.965 -7.735 -9.906 1.00 0.00 C ATOM 938 C THR A 60 10.187 -6.535 -10.460 1.00 0.00 C ATOM 939 O THR A 60 10.085 -5.496 -9.835 1.00 0.00 O ATOM 940 CB THR A 60 10.017 -8.672 -9.137 1.00 0.00 C ATOM 941 OG1 THR A 60 10.782 -9.649 -8.447 1.00 0.00 O ATOM 942 CG2 THR A 60 9.068 -9.368 -10.116 1.00 0.00 C ATOM 0 H THR A 60 12.998 -7.509 -9.281 1.00 0.00 H new ATOM 0 HA THR A 60 11.406 -8.288 -10.735 1.00 0.00 H new ATOM 0 HB THR A 60 9.433 -8.089 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.261 -10.475 -8.367 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.399 -10.030 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.481 -8.619 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.647 -9.951 -10.832 1.00 0.00 H new ATOM 950 N GLY A 61 9.656 -6.675 -11.643 1.00 0.00 N ATOM 951 CA GLY A 61 8.893 -5.561 -12.278 1.00 0.00 C ATOM 952 C GLY A 61 7.455 -5.525 -11.748 1.00 0.00 C ATOM 953 O GLY A 61 6.600 -4.871 -12.308 1.00 0.00 O ATOM 0 H GLY A 61 9.719 -7.524 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.386 -4.611 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.885 -5.689 -13.360 1.00 0.00 H new ATOM 957 N THR A 62 7.179 -6.229 -10.687 1.00 0.00 N ATOM 958 CA THR A 62 5.790 -6.241 -10.139 1.00 0.00 C ATOM 959 C THR A 62 5.423 -4.869 -9.574 1.00 0.00 C ATOM 960 O THR A 62 6.220 -4.221 -8.923 1.00 0.00 O ATOM 961 CB THR A 62 5.689 -7.269 -9.010 1.00 0.00 C ATOM 962 OG1 THR A 62 6.103 -8.539 -9.484 1.00 0.00 O ATOM 963 CG2 THR A 62 4.241 -7.354 -8.517 1.00 0.00 C ATOM 0 H THR A 62 7.853 -6.797 -10.174 1.00 0.00 H new ATOM 0 HA THR A 62 5.107 -6.497 -10.949 1.00 0.00 H new ATOM 0 HB THR A 62 6.333 -6.962 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.039 -9.195 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.173 -8.087 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.925 -6.379 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.594 -7.657 -9.340 1.00 0.00 H new ATOM 971 N ASN A 63 4.201 -4.437 -9.797 1.00 0.00 N ATOM 972 CA ASN A 63 3.733 -3.121 -9.253 1.00 0.00 C ATOM 973 C ASN A 63 2.377 -3.335 -8.570 1.00 0.00 C ATOM 974 O ASN A 63 1.701 -4.302 -8.839 1.00 0.00 O ATOM 975 CB ASN A 63 3.580 -2.108 -10.391 1.00 0.00 C ATOM 976 CG ASN A 63 2.522 -2.589 -11.382 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.824 -3.308 -12.312 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.279 -2.227 -11.214 1.00 0.00 N ATOM 0 H ASN A 63 3.502 -4.946 -10.338 1.00 0.00 H new ATOM 0 HA ASN A 63 4.460 -2.736 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.297 -1.136 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.534 -1.975 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.562 -2.548 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.025 -1.623 -10.432 1.00 0.00 H new ATOM 985 N LEU A 64 1.975 -2.455 -7.680 1.00 0.00 N ATOM 986 CA LEU A 64 0.659 -2.644 -6.979 1.00 0.00 C ATOM 987 C LEU A 64 -0.034 -1.286 -6.779 1.00 0.00 C ATOM 988 O LEU A 64 0.548 -0.346 -6.276 1.00 0.00 O ATOM 989 CB LEU A 64 0.920 -3.326 -5.602 1.00 0.00 C ATOM 990 CG LEU A 64 0.243 -4.717 -5.535 1.00 0.00 C ATOM 991 CD1 LEU A 64 0.911 -5.692 -6.526 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.367 -5.278 -4.112 1.00 0.00 C ATOM 0 H LEU A 64 2.495 -1.620 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 64 0.006 -3.274 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.993 -3.432 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.539 -2.693 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.808 -4.607 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.422 -6.664 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.817 -5.302 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.966 -5.800 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.109 -6.257 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.420 -5.374 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.122 -4.602 -3.411 1.00 0.00 H new ATOM 1004 N SER A 65 -1.288 -1.193 -7.152 1.00 0.00 N ATOM 1005 CA SER A 65 -2.053 0.079 -6.965 1.00 0.00 C ATOM 1006 C SER A 65 -3.009 -0.113 -5.799 1.00 0.00 C ATOM 1007 O SER A 65 -3.603 -1.160 -5.649 1.00 0.00 O ATOM 1008 CB SER A 65 -2.868 0.384 -8.218 1.00 0.00 C ATOM 1009 OG SER A 65 -1.990 0.653 -9.300 1.00 0.00 O ATOM 0 H SER A 65 -1.818 -1.951 -7.582 1.00 0.00 H new ATOM 0 HA SER A 65 -1.363 0.901 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.512 -0.461 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.519 1.241 -8.042 1.00 0.00 H new ATOM 0 HG SER A 65 -2.513 0.847 -10.105 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.159 0.874 -4.957 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.077 0.709 -3.790 1.00 0.00 C ATOM 1017 C LEU A 66 -4.782 2.029 -3.460 1.00 0.00 C ATOM 1018 O LEU A 66 -4.374 3.099 -3.882 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.275 0.230 -2.573 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.938 0.990 -2.460 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.338 0.703 -1.082 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.927 0.543 -3.555 1.00 0.00 C ATOM 0 H LEU A 66 -2.692 1.778 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.836 -0.030 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.860 0.379 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.084 -0.840 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.130 2.054 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.390 1.232 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.027 1.041 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.169 -0.368 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.002 1.101 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.725 -0.523 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.349 0.737 -4.541 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.851 1.947 -2.697 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.620 3.169 -2.319 1.00 0.00 C ATOM 1036 C GLN A 67 -6.940 3.099 -0.829 1.00 0.00 C ATOM 1037 O GLN A 67 -7.731 2.294 -0.384 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.927 3.189 -3.104 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.613 3.061 -4.591 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.907 3.079 -5.400 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.914 2.543 -4.976 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.928 3.680 -6.556 1.00 0.00 N ATOM 0 H GLN A 67 -6.222 1.075 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.039 4.065 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.572 2.371 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.468 4.115 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.966 3.879 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.070 2.135 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.085 4.130 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.788 3.701 -7.104 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.314 3.933 -0.055 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.552 3.933 1.417 1.00 0.00 C ATOM 1053 C PHE A 68 -7.660 4.924 1.781 1.00 0.00 C ATOM 1054 O PHE A 68 -8.767 4.547 2.111 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.242 4.305 2.133 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.423 5.215 1.253 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.752 4.682 0.151 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.322 6.578 1.543 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.981 5.515 -0.665 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.548 7.411 0.733 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.875 6.878 -0.373 1.00 0.00 C ATOM 0 H PHE A 68 -5.638 4.625 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.872 2.941 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.461 4.799 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.676 3.404 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.828 3.628 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.844 6.988 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.467 5.105 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.469 8.464 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.274 7.520 -1.000 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.359 6.192 1.732 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.375 7.228 2.079 1.00 0.00 C ATOM 1073 C PHE A 69 -8.132 8.481 1.224 1.00 0.00 C ATOM 1074 O PHE A 69 -7.459 9.397 1.656 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.234 7.586 3.567 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.360 8.511 3.985 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.677 8.034 4.031 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.089 9.845 4.322 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.720 8.889 4.411 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.132 10.699 4.704 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.447 10.221 4.747 1.00 0.00 C ATOM 0 H PHE A 69 -6.446 6.559 1.464 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.378 6.847 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.254 6.679 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.272 8.067 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.888 7.007 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.075 10.215 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.735 8.521 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.922 11.726 4.965 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.251 10.880 5.039 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.666 8.538 0.022 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.482 9.718 -0.876 1.00 0.00 C ATOM 1093 C PRO A 70 -9.458 10.853 -0.532 1.00 0.00 C ATOM 1094 O PRO A 70 -10.543 10.619 -0.043 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.761 9.143 -2.268 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.760 8.048 -2.039 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.494 7.496 -0.623 1.00 0.00 C ATOM 0 HA PRO A 70 -7.492 10.166 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.157 9.906 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.850 8.758 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.778 8.429 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.652 7.263 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.424 7.332 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.973 6.539 -0.660 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.078 12.081 -0.776 1.00 0.00 N ATOM 1106 CA ALA A 71 -9.986 13.214 -0.446 1.00 0.00 C ATOM 1107 C ALA A 71 -11.344 12.965 -1.092 1.00 0.00 C ATOM 1108 O ALA A 71 -12.376 13.057 -0.457 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.387 14.518 -0.990 1.00 0.00 C ATOM 0 H ALA A 71 -8.183 12.345 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.104 13.295 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.049 15.350 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.411 14.688 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.275 14.443 -2.072 1.00 0.00 H new ATOM 1115 N SER A 72 -11.346 12.638 -2.351 1.00 0.00 N ATOM 1116 CA SER A 72 -12.632 12.368 -3.048 1.00 0.00 C ATOM 1117 C SER A 72 -12.346 11.843 -4.452 1.00 0.00 C ATOM 1118 O SER A 72 -11.550 12.406 -5.173 1.00 0.00 O ATOM 1119 CB SER A 72 -13.423 13.659 -3.176 1.00 0.00 C ATOM 1120 OG SER A 72 -14.722 13.342 -3.646 1.00 0.00 O ATOM 0 H SER A 72 -10.511 12.546 -2.930 1.00 0.00 H new ATOM 0 HA SER A 72 -13.200 11.634 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.481 14.165 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.926 14.342 -3.865 1.00 0.00 H new ATOM 0 HG SER A 72 -15.391 13.772 -3.073 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.993 10.790 -4.864 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.742 10.270 -6.237 1.00 0.00 C ATOM 1128 C TRP A 73 -13.521 11.112 -7.253 1.00 0.00 C ATOM 1129 O TRP A 73 -12.950 11.794 -8.084 1.00 0.00 O ATOM 1130 CB TRP A 73 -13.204 8.811 -6.304 1.00 0.00 C ATOM 1131 CG TRP A 73 -13.092 8.268 -7.704 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -12.107 8.560 -8.593 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -13.978 7.324 -8.382 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -12.340 7.863 -9.764 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -13.477 7.089 -9.683 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -15.159 6.654 -8.000 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -14.117 6.228 -10.574 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -15.809 5.783 -8.897 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -15.286 5.572 -10.181 1.00 0.00 C ATOM 0 H TRP A 73 -13.679 10.270 -4.316 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.679 10.328 -6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.602 8.205 -5.627 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -14.237 8.738 -5.964 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.277 9.228 -8.414 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.742 7.915 -10.589 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.568 6.810 -7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.711 6.069 -11.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.713 5.276 -8.594 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.787 4.903 -10.865 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.825 11.052 -7.203 1.00 0.00 N ATOM 1151 CA GLN A 74 -15.655 11.828 -8.173 1.00 0.00 C ATOM 1152 C GLN A 74 -15.923 13.248 -7.656 1.00 0.00 C ATOM 1153 O GLN A 74 -16.471 14.067 -8.365 1.00 0.00 O ATOM 1154 CB GLN A 74 -16.990 11.106 -8.384 1.00 0.00 C ATOM 1155 CG GLN A 74 -16.736 9.696 -8.928 1.00 0.00 C ATOM 1156 CD GLN A 74 -16.018 9.784 -10.275 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -15.001 9.149 -10.478 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -16.510 10.548 -11.210 1.00 0.00 N ATOM 0 H GLN A 74 -15.354 10.497 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.111 11.901 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.536 11.050 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -17.612 11.668 -9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.134 9.126 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.681 9.165 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.363 11.080 -11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.042 10.614 -12.114 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.551 13.562 -6.442 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.807 14.941 -5.934 1.00 0.00 C ATOM 1169 C GLY A 75 -14.722 15.879 -6.462 1.00 0.00 C ATOM 1170 O GLY A 75 -13.568 15.513 -6.564 1.00 0.00 O ATOM 0 H GLY A 75 -15.087 12.932 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.790 15.284 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.810 14.946 -4.844 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.079 17.088 -6.791 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.068 18.053 -7.310 1.00 0.00 C ATOM 1176 C GLU A 76 -13.282 18.647 -6.132 1.00 0.00 C ATOM 1177 O GLU A 76 -12.349 19.411 -6.310 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.785 19.159 -8.095 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.583 20.046 -7.139 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.546 20.921 -7.946 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.588 20.758 -9.156 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.228 21.730 -7.343 1.00 0.00 O ATOM 0 H GLU A 76 -16.030 17.452 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.370 17.545 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.057 19.760 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.451 18.717 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.139 19.430 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.907 20.671 -6.555 1.00 0.00 H new ATOM 1189 N GLN A 77 -13.656 18.296 -4.930 1.00 0.00 N ATOM 1190 CA GLN A 77 -12.942 18.826 -3.732 1.00 0.00 C ATOM 1191 C GLN A 77 -11.521 18.263 -3.695 1.00 0.00 C ATOM 1192 O GLN A 77 -11.309 17.075 -3.830 1.00 0.00 O ATOM 1193 CB GLN A 77 -13.714 18.412 -2.464 1.00 0.00 C ATOM 1194 CG GLN A 77 -13.552 16.911 -2.203 1.00 0.00 C ATOM 1195 CD GLN A 77 -14.526 16.475 -1.106 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -15.601 17.027 -0.975 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -14.199 15.492 -0.316 1.00 0.00 N ATOM 0 H GLN A 77 -14.429 17.662 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.887 19.914 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.348 18.978 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -14.770 18.655 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.743 16.349 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.527 16.692 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.297 15.028 -0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.845 15.186 0.412 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.539 19.112 -3.524 1.00 0.00 N ATOM 1207 CA ARG A 78 -9.123 18.633 -3.485 1.00 0.00 C ATOM 1208 C ARG A 78 -8.329 19.399 -2.430 1.00 0.00 C ATOM 1209 O ARG A 78 -7.176 19.109 -2.184 1.00 0.00 O ATOM 1210 CB ARG A 78 -8.491 18.829 -4.859 1.00 0.00 C ATOM 1211 CG ARG A 78 -8.406 20.318 -5.193 1.00 0.00 C ATOM 1212 CD ARG A 78 -8.056 20.459 -6.668 1.00 0.00 C ATOM 1213 NE ARG A 78 -7.696 21.867 -6.979 1.00 0.00 N ATOM 1214 CZ ARG A 78 -7.030 22.125 -8.066 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -6.704 21.145 -8.863 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -6.686 23.351 -8.355 1.00 0.00 N ATOM 0 H ARG A 78 -10.657 20.119 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.109 17.575 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.494 18.388 -4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.081 18.312 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.355 20.810 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.650 20.803 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.224 19.800 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.902 20.149 -7.281 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.968 22.621 -6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.971 20.188 -8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.182 21.335 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.940 24.113 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.164 23.546 -9.209 1.00 0.00 H new ATOM 1230 N GLN A 79 -8.920 20.381 -1.807 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.164 21.153 -0.784 1.00 0.00 C ATOM 1232 C GLN A 79 -8.123 20.386 0.549 1.00 0.00 C ATOM 1233 O GLN A 79 -7.338 20.699 1.420 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.818 22.535 -0.613 1.00 0.00 C ATOM 1235 CG GLN A 79 -10.213 22.417 0.015 1.00 0.00 C ATOM 1236 CD GLN A 79 -11.181 21.786 -0.990 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.956 21.835 -2.181 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -12.249 21.178 -0.553 1.00 0.00 N ATOM 0 H GLN A 79 -9.883 20.679 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.134 21.288 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.186 23.164 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.894 23.027 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.165 21.809 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.573 23.402 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.439 21.137 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.895 20.744 -1.213 1.00 0.00 H new ATOM 1247 N THR A 80 -8.947 19.372 0.715 1.00 0.00 N ATOM 1248 CA THR A 80 -8.933 18.584 1.993 1.00 0.00 C ATOM 1249 C THR A 80 -8.097 17.287 1.818 1.00 0.00 C ATOM 1250 O THR A 80 -8.523 16.368 1.154 1.00 0.00 O ATOM 1251 CB THR A 80 -10.372 18.200 2.358 1.00 0.00 C ATOM 1252 OG1 THR A 80 -10.342 17.195 3.361 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.121 17.668 1.123 1.00 0.00 C ATOM 0 H THR A 80 -9.626 19.058 0.022 1.00 0.00 H new ATOM 0 HA THR A 80 -8.489 19.193 2.781 1.00 0.00 H new ATOM 0 HB THR A 80 -10.893 19.084 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.259 16.945 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.140 17.401 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.146 18.439 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.608 16.787 0.738 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.927 17.192 2.412 1.00 0.00 N ATOM 1262 CA PRO A 81 -6.070 15.973 2.303 1.00 0.00 C ATOM 1263 C PRO A 81 -6.492 14.868 3.281 1.00 0.00 C ATOM 1264 O PRO A 81 -7.483 14.980 3.976 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.671 16.500 2.641 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.909 17.634 3.591 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.286 18.222 3.241 1.00 0.00 C ATOM 0 HA PRO A 81 -6.138 15.508 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.056 15.724 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.148 16.837 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.888 17.285 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.130 18.390 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.869 18.428 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.190 19.163 2.700 1.00 0.00 H new ATOM 1275 N SER A 82 -5.740 13.802 3.337 1.00 0.00 N ATOM 1276 CA SER A 82 -6.080 12.688 4.265 1.00 0.00 C ATOM 1277 C SER A 82 -5.455 12.967 5.632 1.00 0.00 C ATOM 1278 O SER A 82 -4.254 12.907 5.807 1.00 0.00 O ATOM 1279 CB SER A 82 -5.525 11.382 3.696 1.00 0.00 C ATOM 1280 OG SER A 82 -5.540 10.380 4.704 1.00 0.00 O ATOM 0 H SER A 82 -4.901 13.655 2.776 1.00 0.00 H new ATOM 0 HA SER A 82 -7.161 12.605 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.122 11.062 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.508 11.534 3.335 1.00 0.00 H new ATOM 0 HG SER A 82 -5.186 9.543 4.338 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.264 13.267 6.603 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.732 13.550 7.962 1.00 0.00 C ATOM 1288 C ARG A 83 -4.980 12.323 8.468 1.00 0.00 C ATOM 1289 O ARG A 83 -3.968 12.424 9.134 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.908 13.851 8.889 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.391 14.330 10.242 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.571 14.502 11.206 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.485 15.564 10.682 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.694 15.690 11.163 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -10.122 14.867 12.079 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -10.474 16.646 10.729 1.00 0.00 N ATOM 0 H ARG A 83 -7.278 13.329 6.515 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.053 14.403 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.548 14.613 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.519 12.957 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.678 13.611 10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.860 15.275 10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.110 13.561 11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.209 14.774 12.198 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.163 16.193 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.513 14.124 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.066 14.967 12.453 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.139 17.293 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.417 16.744 11.104 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.471 11.165 8.149 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.802 9.914 8.596 1.00 0.00 C ATOM 1312 C GLU A 84 -3.359 9.880 8.086 1.00 0.00 C ATOM 1313 O GLU A 84 -2.496 9.280 8.690 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.556 8.708 8.038 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.982 8.690 8.585 1.00 0.00 C ATOM 1316 CD GLU A 84 -6.950 8.389 10.085 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -6.959 7.220 10.433 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -6.920 9.332 10.858 1.00 0.00 O ATOM 0 H GLU A 84 -6.315 11.027 7.593 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.801 9.882 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.575 8.752 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.040 7.787 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.463 9.652 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.573 7.936 8.065 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.089 10.480 6.963 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.699 10.438 6.428 1.00 0.00 C ATOM 1327 C TYR A 85 -0.774 11.276 7.319 1.00 0.00 C ATOM 1328 O TYR A 85 0.359 10.912 7.566 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.718 10.914 4.952 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.918 12.189 4.692 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.479 12.190 4.815 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.578 13.352 4.260 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.212 13.350 4.503 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.848 14.508 3.959 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.546 14.507 4.076 1.00 0.00 C ATOM 1336 OH TYR A 85 1.264 15.645 3.767 1.00 0.00 O ATOM 0 H TYR A 85 -3.763 10.994 6.395 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.305 9.422 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.325 10.117 4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.752 11.080 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.992 11.300 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.653 13.354 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.288 13.349 4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.362 15.402 3.636 1.00 0.00 H new ATOM 0 HH TYR A 85 0.648 16.354 3.487 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.246 12.387 7.818 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.379 13.234 8.695 1.00 0.00 C ATOM 1348 C VAL A 86 -0.495 12.793 10.152 1.00 0.00 C ATOM 1349 O VAL A 86 0.182 13.316 11.010 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.772 14.715 8.572 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.416 15.599 8.976 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.150 15.021 7.125 1.00 0.00 C ATOM 0 H VAL A 86 -2.188 12.745 7.659 1.00 0.00 H new ATOM 0 HA VAL A 86 0.654 13.111 8.368 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.619 14.918 9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.135 16.648 8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.696 15.383 10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.262 15.394 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.429 16.071 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.299 14.815 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.992 14.396 6.829 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.321 11.827 10.441 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.444 11.364 11.862 1.00 0.00 C ATOM 1364 C ASP A 87 -0.404 10.276 12.080 1.00 0.00 C ATOM 1365 O ASP A 87 -0.243 9.743 13.161 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.865 10.808 12.135 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.046 9.375 11.589 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.139 8.864 10.956 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.105 8.813 11.821 1.00 0.00 O ATOM 0 H ASP A 87 -1.912 11.339 9.768 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.280 12.197 12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.055 10.813 13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.604 11.465 11.678 1.00 0.00 H new ATOM 1374 N LEU A 88 0.317 9.972 11.034 1.00 0.00 N ATOM 1375 CA LEU A 88 1.389 8.944 11.101 1.00 0.00 C ATOM 1376 C LEU A 88 2.667 9.589 10.622 1.00 0.00 C ATOM 1377 O LEU A 88 3.742 9.035 10.733 1.00 0.00 O ATOM 1378 CB LEU A 88 1.033 7.732 10.230 1.00 0.00 C ATOM 1379 CG LEU A 88 0.467 8.164 8.851 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.605 8.413 7.850 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.438 7.052 8.303 1.00 0.00 C ATOM 0 H LEU A 88 0.203 10.404 10.117 1.00 0.00 H new ATOM 0 HA LEU A 88 1.506 8.583 12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.920 7.116 10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.299 7.115 10.748 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.099 9.086 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.186 8.715 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.255 9.203 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.183 7.498 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.837 7.352 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.141 6.135 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.261 6.878 8.996 1.00 0.00 H new ATOM 1393 N GLU A 89 2.563 10.787 10.126 1.00 0.00 N ATOM 1394 CA GLU A 89 3.778 11.493 9.683 1.00 0.00 C ATOM 1395 C GLU A 89 4.470 12.009 10.933 1.00 0.00 C ATOM 1396 O GLU A 89 5.666 11.904 11.081 1.00 0.00 O ATOM 1397 CB GLU A 89 3.389 12.657 8.777 1.00 0.00 C ATOM 1398 CG GLU A 89 4.650 13.289 8.198 1.00 0.00 C ATOM 1399 CD GLU A 89 4.259 14.463 7.302 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.179 14.416 6.737 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.043 15.389 7.198 1.00 0.00 O ATOM 0 H GLU A 89 1.690 11.301 10.011 1.00 0.00 H new ATOM 0 HA GLU A 89 4.439 10.832 9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.742 12.306 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.823 13.398 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.302 13.631 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.211 12.550 7.625 1.00 0.00 H new ATOM 1408 N ARG A 90 3.718 12.541 11.853 1.00 0.00 N ATOM 1409 CA ARG A 90 4.330 13.035 13.112 1.00 0.00 C ATOM 1410 C ARG A 90 4.847 11.853 13.938 1.00 0.00 C ATOM 1411 O ARG A 90 5.587 12.025 14.886 1.00 0.00 O ATOM 1412 CB ARG A 90 3.313 13.835 13.933 1.00 0.00 C ATOM 1413 CG ARG A 90 2.824 15.034 13.119 1.00 0.00 C ATOM 1414 CD ARG A 90 2.011 15.959 14.023 1.00 0.00 C ATOM 1415 NE ARG A 90 0.877 15.190 14.627 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.081 14.710 13.894 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.158 15.026 12.632 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -1.002 13.961 14.437 1.00 0.00 N ATOM 0 H ARG A 90 2.707 12.654 11.786 1.00 0.00 H new ATOM 0 HA ARG A 90 5.162 13.691 12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.470 13.200 14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.769 14.176 14.863 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.673 15.572 12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.213 14.695 12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.646 16.369 14.808 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.628 16.803 13.449 1.00 0.00 H new ATOM 0 HE ARG A 90 0.857 15.040 15.636 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.535 15.651 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.911 14.648 12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.968 13.754 15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.756 13.583 13.863 1.00 0.00 H new ATOM 1432 N GLU A 91 4.441 10.656 13.610 1.00 0.00 N ATOM 1433 CA GLU A 91 4.890 9.478 14.410 1.00 0.00 C ATOM 1434 C GLU A 91 6.363 9.148 14.113 1.00 0.00 C ATOM 1435 O GLU A 91 7.259 9.810 14.599 1.00 0.00 O ATOM 1436 CB GLU A 91 3.992 8.281 14.066 1.00 0.00 C ATOM 1437 CG GLU A 91 4.264 7.127 15.033 1.00 0.00 C ATOM 1438 CD GLU A 91 3.360 5.944 14.676 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.002 5.828 13.515 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.049 5.171 15.566 1.00 0.00 O ATOM 0 H GLU A 91 3.822 10.443 12.828 1.00 0.00 H new ATOM 0 HA GLU A 91 4.810 9.707 15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.944 8.574 14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.178 7.959 13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.311 6.829 14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.078 7.445 16.059 1.00 0.00 H new ATOM 1447 N ALA A 92 6.628 8.129 13.339 1.00 0.00 N ATOM 1448 CA ALA A 92 8.043 7.766 13.027 1.00 0.00 C ATOM 1449 C ALA A 92 8.718 8.890 12.243 1.00 0.00 C ATOM 1450 O ALA A 92 9.915 8.880 12.032 1.00 0.00 O ATOM 1451 CB ALA A 92 8.068 6.482 12.193 1.00 0.00 C ATOM 0 H ALA A 92 5.924 7.530 12.908 1.00 0.00 H new ATOM 0 HA ALA A 92 8.582 7.612 13.962 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.100 6.216 11.965 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.601 5.674 12.756 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.520 6.641 11.264 1.00 0.00 H new ATOM 1457 N GLY A 93 7.957 9.832 11.765 1.00 0.00 N ATOM 1458 CA GLY A 93 8.559 10.918 10.941 1.00 0.00 C ATOM 1459 C GLY A 93 8.568 10.408 9.506 1.00 0.00 C ATOM 1460 O GLY A 93 9.310 10.865 8.662 1.00 0.00 O ATOM 0 H GLY A 93 6.949 9.899 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.978 11.837 11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.570 11.148 11.279 1.00 0.00 H new ATOM 1464 N LYS A 94 7.732 9.427 9.253 1.00 0.00 N ATOM 1465 CA LYS A 94 7.639 8.805 7.901 1.00 0.00 C ATOM 1466 C LYS A 94 6.180 8.793 7.457 1.00 0.00 C ATOM 1467 O LYS A 94 5.275 8.848 8.265 1.00 0.00 O ATOM 1468 CB LYS A 94 8.118 7.356 7.994 1.00 0.00 C ATOM 1469 CG LYS A 94 9.486 7.334 8.662 1.00 0.00 C ATOM 1470 CD LYS A 94 10.110 5.943 8.552 1.00 0.00 C ATOM 1471 CE LYS A 94 11.367 5.891 9.427 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.175 4.691 9.074 1.00 0.00 N ATOM 0 H LYS A 94 7.099 9.026 9.945 1.00 0.00 H new ATOM 0 HA LYS A 94 8.247 9.368 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.408 6.760 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.176 6.913 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.139 8.070 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.390 7.615 9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.397 5.184 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.364 5.725 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.959 6.795 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.088 5.856 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.027 4.659 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.609 3.833 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.454 4.742 8.073 1.00 0.00 H new ATOM 1486 N VAL A 95 5.948 8.684 6.180 1.00 0.00 N ATOM 1487 CA VAL A 95 4.551 8.626 5.663 1.00 0.00 C ATOM 1488 C VAL A 95 4.348 7.246 5.066 1.00 0.00 C ATOM 1489 O VAL A 95 5.047 6.856 4.150 1.00 0.00 O ATOM 1490 CB VAL A 95 4.363 9.684 4.574 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.958 9.557 3.975 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.547 11.082 5.183 1.00 0.00 C ATOM 0 H VAL A 95 6.673 8.632 5.464 1.00 0.00 H new ATOM 0 HA VAL A 95 3.834 8.815 6.462 1.00 0.00 H new ATOM 0 HB VAL A 95 5.102 9.535 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.824 10.311 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.836 8.564 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.214 9.706 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.413 11.837 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.809 11.236 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.549 11.167 5.603 1.00 0.00 H new ATOM 1502 N TYR A 96 3.407 6.492 5.575 1.00 0.00 N ATOM 1503 CA TYR A 96 3.181 5.127 5.012 1.00 0.00 C ATOM 1504 C TYR A 96 1.700 4.819 4.928 1.00 0.00 C ATOM 1505 O TYR A 96 0.881 5.413 5.601 1.00 0.00 O ATOM 1506 CB TYR A 96 3.890 4.082 5.859 1.00 0.00 C ATOM 1507 CG TYR A 96 3.221 3.860 7.188 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.560 4.651 8.290 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.306 2.812 7.326 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.975 4.399 9.533 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.725 2.547 8.565 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.058 3.342 9.677 1.00 0.00 C ATOM 1513 OH TYR A 96 1.494 3.086 10.912 1.00 0.00 O ATOM 0 H TYR A 96 2.793 6.757 6.345 1.00 0.00 H new ATOM 0 HA TYR A 96 3.594 5.100 4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.924 3.140 5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.922 4.393 6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.273 5.455 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.049 2.206 6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.227 5.015 10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.022 1.734 8.671 1.00 0.00 H new ATOM 0 HH TYR A 96 0.882 2.324 10.840 1.00 0.00 H new ATOM 1523 N LEU A 97 1.355 3.892 4.074 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.073 3.521 3.882 1.00 0.00 C ATOM 1525 C LEU A 97 -0.201 1.995 3.859 1.00 0.00 C ATOM 1526 O LEU A 97 0.714 1.284 3.463 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.562 4.108 2.539 1.00 0.00 C ATOM 1528 CG LEU A 97 0.593 4.115 1.509 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.020 4.241 0.091 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.572 5.293 1.764 1.00 0.00 C ATOM 0 H LEU A 97 2.013 3.371 3.495 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.678 3.918 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.396 3.519 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.931 5.122 2.690 1.00 0.00 H new ATOM 0 HG LEU A 97 1.141 3.179 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.836 4.246 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.639 3.397 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.544 5.170 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.371 5.269 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.033 6.237 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.000 5.201 2.762 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.338 1.479 4.266 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.528 0.001 4.248 1.00 0.00 C ATOM 1544 C LYS A 98 -2.976 -0.336 3.913 1.00 0.00 C ATOM 1545 O LYS A 98 -3.880 0.424 4.196 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.169 -0.595 5.611 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.185 -0.178 6.679 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.649 -0.587 8.059 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.769 -0.533 9.100 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.189 -0.723 10.462 1.00 0.00 N ATOM 0 H LYS A 98 -2.135 2.017 4.607 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.873 -0.424 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.137 -1.682 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.172 -0.266 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.350 0.899 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.147 -0.655 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.235 -1.594 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.837 0.078 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.287 0.424 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.508 -1.308 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.949 -0.687 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.714 -1.647 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.500 0.032 10.654 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.208 -1.473 3.297 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.612 -1.830 2.944 1.00 0.00 C ATOM 1566 C ALA A 99 -4.754 -3.352 2.681 1.00 0.00 C ATOM 1567 O ALA A 99 -3.835 -3.977 2.194 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.994 -1.056 1.681 1.00 0.00 C ATOM 0 H ALA A 99 -2.498 -2.155 3.030 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.269 -1.572 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.019 -1.300 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.915 0.014 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.321 -1.330 0.869 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.915 -3.938 2.947 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.185 -5.388 2.670 1.00 0.00 C ATOM 1576 C PRO A 100 -6.781 -5.583 1.261 1.00 0.00 C ATOM 1577 O PRO A 100 -7.969 -5.420 1.061 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.228 -5.729 3.727 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.054 -4.482 3.837 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.103 -3.303 3.558 1.00 0.00 C ATOM 0 HA PRO A 100 -5.289 -6.007 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.834 -6.584 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.763 -5.985 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.875 -4.496 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.498 -4.397 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.557 -2.575 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.845 -2.773 4.475 1.00 0.00 H new ATOM 1588 N MET A 101 -5.967 -5.892 0.279 1.00 0.00 N ATOM 1589 CA MET A 101 -6.494 -6.050 -1.131 1.00 0.00 C ATOM 1590 C MET A 101 -6.650 -7.522 -1.552 1.00 0.00 C ATOM 1591 O MET A 101 -5.762 -8.324 -1.368 1.00 0.00 O ATOM 1592 CB MET A 101 -5.516 -5.361 -2.090 1.00 0.00 C ATOM 1593 CG MET A 101 -6.035 -5.463 -3.525 1.00 0.00 C ATOM 1594 SD MET A 101 -4.984 -4.474 -4.618 1.00 0.00 S ATOM 1595 CE MET A 101 -5.458 -2.835 -3.997 1.00 0.00 C ATOM 0 H MET A 101 -4.964 -6.043 0.384 1.00 0.00 H new ATOM 0 HA MET A 101 -7.485 -5.599 -1.167 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.396 -4.314 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.533 -5.825 -2.016 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.038 -6.504 -3.849 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.065 -5.111 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.741 -2.197 -4.834 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.302 -2.935 -3.315 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.616 -2.388 -3.469 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.763 -7.876 -2.170 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.938 -9.284 -2.652 1.00 0.00 C ATOM 1607 C ILE A 102 -7.392 -9.421 -4.073 1.00 0.00 C ATOM 1608 O ILE A 102 -7.745 -8.686 -4.973 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.423 -9.722 -2.600 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.345 -8.536 -2.897 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.765 -10.301 -1.219 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.806 -9.001 -2.827 1.00 0.00 C ATOM 0 H ILE A 102 -8.548 -7.252 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.377 -9.941 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.574 -10.490 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.171 -7.736 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.127 -8.130 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.812 -10.603 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.134 -11.167 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.592 -9.544 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.466 -8.160 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.973 -9.787 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -12.018 -9.387 -1.830 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.548 -10.394 -4.267 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.956 -10.671 -5.607 1.00 0.00 C ATOM 1626 C LEU A 103 -6.645 -11.929 -6.136 1.00 0.00 C ATOM 1627 O LEU A 103 -7.536 -12.447 -5.501 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.452 -10.943 -5.468 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.661 -9.633 -5.359 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.929 -8.955 -4.011 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.166 -9.953 -5.474 1.00 0.00 C ATOM 0 H LEU A 103 -6.234 -11.027 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.094 -9.823 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.270 -11.556 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.101 -11.513 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.971 -8.958 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.360 -8.027 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.993 -8.735 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.625 -9.620 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.590 -9.031 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.876 -10.629 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.968 -10.427 -6.436 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.256 -12.436 -7.277 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.917 -13.677 -7.777 1.00 0.00 C ATOM 1645 C ASN A 104 -6.584 -14.822 -6.811 1.00 0.00 C ATOM 1646 O ASN A 104 -5.891 -15.762 -7.148 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.380 -14.026 -9.163 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.213 -15.160 -9.764 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -6.928 -16.321 -9.540 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.237 -14.878 -10.521 1.00 0.00 N ATOM 0 H ASN A 104 -5.523 -12.053 -7.874 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.995 -13.525 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.419 -13.150 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.334 -14.326 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.796 -15.630 -10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.479 -13.905 -10.711 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.075 -14.727 -5.605 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.816 -15.766 -4.570 1.00 0.00 C ATOM 1659 C GLY A 105 -7.602 -15.383 -3.314 1.00 0.00 C ATOM 1660 O GLY A 105 -8.752 -15.736 -3.153 1.00 0.00 O ATOM 0 H GLY A 105 -7.659 -13.953 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.125 -16.748 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.750 -15.828 -4.349 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.985 -14.636 -2.432 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.679 -14.192 -1.182 1.00 0.00 C ATOM 1666 C VAL A 106 -7.072 -12.835 -0.753 1.00 0.00 C ATOM 1667 O VAL A 106 -6.243 -12.284 -1.448 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.513 -15.250 -0.061 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.777 -15.295 0.807 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.296 -16.650 -0.662 1.00 0.00 C ATOM 0 H VAL A 106 -6.022 -14.312 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.747 -14.079 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.648 -14.969 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.653 -16.041 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.943 -14.317 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.634 -15.560 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.182 -17.377 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.155 -16.920 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.397 -16.646 -1.278 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.482 -12.273 0.365 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.914 -10.948 0.776 1.00 0.00 C ATOM 1682 C CYS A 107 -5.480 -11.092 1.268 1.00 0.00 C ATOM 1683 O CYS A 107 -5.086 -12.082 1.853 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.757 -10.310 1.886 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.202 -11.563 3.083 1.00 0.00 S ATOM 0 H CYS A 107 -8.175 -12.669 1.000 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.929 -10.307 -0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.196 -9.510 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.655 -9.859 1.463 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.495 -11.598 3.215 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.717 -10.060 1.036 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.299 -10.004 1.475 1.00 0.00 C ATOM 1693 C VAL A 108 -3.093 -8.614 2.098 1.00 0.00 C ATOM 1694 O VAL A 108 -3.767 -7.673 1.720 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.389 -10.203 0.261 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.524 -9.012 -0.685 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.942 -10.326 0.726 1.00 0.00 C ATOM 0 H VAL A 108 -5.033 -9.225 0.542 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.060 -10.783 2.198 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.681 -11.113 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.874 -9.157 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.558 -8.928 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.236 -8.099 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.293 -10.468 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.651 -9.418 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.846 -11.181 1.396 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.211 -8.467 3.062 1.00 0.00 N ATOM 1708 CA ILE A 109 -2.038 -7.122 3.715 1.00 0.00 C ATOM 1709 C ILE A 109 -0.790 -6.409 3.196 1.00 0.00 C ATOM 1710 O ILE A 109 0.324 -6.860 3.351 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.940 -7.327 5.240 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.218 -6.010 5.972 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.543 -7.832 5.634 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.374 -6.289 7.472 1.00 0.00 C ATOM 0 H ILE A 109 -1.610 -9.208 3.422 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.896 -6.494 3.473 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.684 -8.071 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.402 -5.307 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.123 -5.547 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.497 -7.969 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.347 -8.783 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.207 -7.102 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.572 -5.355 7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -3.205 -6.977 7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.456 -6.734 7.857 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.998 -5.274 2.601 1.00 0.00 N ATOM 1727 CA TRP A 110 0.115 -4.458 2.061 1.00 0.00 C ATOM 1728 C TRP A 110 0.370 -3.296 3.036 1.00 0.00 C ATOM 1729 O TRP A 110 -0.558 -2.671 3.495 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.340 -3.926 0.697 1.00 0.00 C ATOM 1731 CG TRP A 110 0.829 -3.467 -0.097 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.518 -4.232 -0.970 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.453 -2.161 -0.112 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.526 -3.471 -1.529 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.529 -2.186 -1.029 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.196 -0.968 0.578 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.312 -1.059 -1.263 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.986 0.165 0.347 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.042 0.119 -0.567 1.00 0.00 C ATOM 0 H TRP A 110 -1.923 -4.866 2.463 1.00 0.00 H new ATOM 0 HA TRP A 110 1.034 -5.033 1.948 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.872 -4.707 0.154 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.039 -3.102 0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.315 -5.269 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.186 -3.817 -2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.386 -0.923 1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.121 -1.097 -1.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.778 1.081 0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.649 0.996 -0.735 1.00 0.00 H new ATOM 1750 N LYS A 111 1.604 -3.002 3.360 1.00 0.00 N ATOM 1751 CA LYS A 111 1.891 -1.868 4.303 1.00 0.00 C ATOM 1752 C LYS A 111 3.267 -1.289 3.984 1.00 0.00 C ATOM 1753 O LYS A 111 4.180 -1.345 4.783 1.00 0.00 O ATOM 1754 CB LYS A 111 1.833 -2.343 5.764 1.00 0.00 C ATOM 1755 CG LYS A 111 2.460 -3.722 5.897 1.00 0.00 C ATOM 1756 CD LYS A 111 2.366 -4.167 7.358 1.00 0.00 C ATOM 1757 CE LYS A 111 3.105 -5.492 7.536 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.443 -6.540 6.712 1.00 0.00 N ATOM 0 H LYS A 111 2.427 -3.495 3.015 1.00 0.00 H new ATOM 0 HA LYS A 111 1.132 -1.096 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.358 -1.634 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.797 -2.373 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.946 -4.434 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.502 -3.696 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.798 -3.407 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.321 -4.279 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.148 -5.383 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.103 -5.784 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.833 -7.472 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.420 -6.533 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.613 -6.348 5.704 1.00 0.00 H new ATOM 1772 N GLY A 112 3.414 -0.736 2.814 1.00 0.00 N ATOM 1773 CA GLY A 112 4.724 -0.146 2.418 1.00 0.00 C ATOM 1774 C GLY A 112 4.933 1.192 3.119 1.00 0.00 C ATOM 1775 O GLY A 112 3.984 1.862 3.464 1.00 0.00 O ATOM 0 H GLY A 112 2.679 -0.666 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.532 -0.830 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.757 -0.008 1.337 1.00 0.00 H new ATOM 1779 N TRP A 113 6.168 1.599 3.313 1.00 0.00 N ATOM 1780 CA TRP A 113 6.435 2.913 3.977 1.00 0.00 C ATOM 1781 C TRP A 113 7.596 3.628 3.296 1.00 0.00 C ATOM 1782 O TRP A 113 8.409 3.025 2.630 1.00 0.00 O ATOM 1783 CB TRP A 113 6.778 2.689 5.455 1.00 0.00 C ATOM 1784 CG TRP A 113 7.869 1.678 5.598 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.672 0.354 5.806 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.311 1.877 5.568 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.905 -0.270 5.906 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.943 0.627 5.765 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.122 3.012 5.391 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.332 0.507 5.787 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.522 2.894 5.411 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.124 1.644 5.610 1.00 0.00 C ATOM 0 H TRP A 113 7.000 1.077 3.039 1.00 0.00 H new ATOM 0 HA TRP A 113 5.539 3.529 3.896 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.087 3.631 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.891 2.352 5.992 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.712 -0.135 5.881 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.030 -1.270 6.064 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.666 3.979 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.792 -0.458 5.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.137 3.771 5.272 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.201 1.560 5.626 1.00 0.00 H new ATOM 1803 N ILE A 114 7.678 4.920 3.490 1.00 0.00 N ATOM 1804 CA ILE A 114 8.781 5.724 2.892 1.00 0.00 C ATOM 1805 C ILE A 114 9.037 6.905 3.827 1.00 0.00 C ATOM 1806 O ILE A 114 8.124 7.448 4.419 1.00 0.00 O ATOM 1807 CB ILE A 114 8.392 6.263 1.493 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.991 6.942 1.531 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.414 5.118 0.462 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.871 5.937 1.222 1.00 0.00 C ATOM 0 H ILE A 114 7.015 5.458 4.047 1.00 0.00 H new ATOM 0 HA ILE A 114 9.666 5.099 2.774 1.00 0.00 H new ATOM 0 HB ILE A 114 9.121 7.016 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.825 7.382 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.960 7.757 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.139 5.506 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.415 4.690 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.703 4.347 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.907 6.444 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.024 5.516 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.887 5.136 1.961 1.00 0.00 H new ATOM 1822 N ASP A 115 10.261 7.305 3.986 1.00 0.00 N ATOM 1823 CA ASP A 115 10.535 8.439 4.899 1.00 0.00 C ATOM 1824 C ASP A 115 10.055 9.729 4.234 1.00 0.00 C ATOM 1825 O ASP A 115 9.699 9.747 3.075 1.00 0.00 O ATOM 1826 CB ASP A 115 12.034 8.498 5.196 1.00 0.00 C ATOM 1827 CG ASP A 115 12.287 9.308 6.472 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.341 9.885 6.983 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.426 9.340 6.912 1.00 0.00 O ATOM 0 H ASP A 115 11.077 6.900 3.528 1.00 0.00 H new ATOM 0 HA ASP A 115 10.005 8.310 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.430 7.489 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.561 8.952 4.357 1.00 0.00 H new ATOM 1834 N LEU A 116 9.998 10.793 4.970 1.00 0.00 N ATOM 1835 CA LEU A 116 9.491 12.070 4.409 1.00 0.00 C ATOM 1836 C LEU A 116 10.459 12.637 3.349 1.00 0.00 C ATOM 1837 O LEU A 116 10.115 13.565 2.654 1.00 0.00 O ATOM 1838 CB LEU A 116 9.308 13.053 5.578 1.00 0.00 C ATOM 1839 CG LEU A 116 8.178 14.082 5.309 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.803 14.751 6.640 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.627 15.162 4.298 1.00 0.00 C ATOM 0 H LEU A 116 10.284 10.836 5.948 1.00 0.00 H new ATOM 0 HA LEU A 116 8.539 11.907 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.080 12.496 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.244 13.582 5.755 1.00 0.00 H new ATOM 0 HG LEU A 116 7.321 13.561 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.009 15.478 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.457 13.993 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.676 15.256 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.812 15.867 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.492 15.694 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.894 14.688 3.354 1.00 0.00 H new ATOM 1853 N HIS A 117 11.667 12.110 3.217 1.00 0.00 N ATOM 1854 CA HIS A 117 12.626 12.668 2.194 1.00 0.00 C ATOM 1855 C HIS A 117 12.976 11.630 1.107 1.00 0.00 C ATOM 1856 O HIS A 117 12.853 11.914 -0.065 1.00 0.00 O ATOM 1857 CB HIS A 117 13.900 13.135 2.901 1.00 0.00 C ATOM 1858 CG HIS A 117 14.667 11.948 3.397 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.912 11.603 2.897 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.374 11.020 4.355 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.320 10.506 3.559 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.417 10.108 4.460 1.00 0.00 N ATOM 0 H HIS A 117 12.024 11.328 3.766 1.00 0.00 H new ATOM 0 HA HIS A 117 12.142 13.509 1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.516 13.717 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.646 13.790 3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.468 10.998 4.943 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.262 10.008 3.384 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.480 9.308 5.089 1.00 0.00 H new ATOM 1870 N ARG A 118 13.435 10.445 1.458 1.00 0.00 N ATOM 1871 CA ARG A 118 13.805 9.449 0.389 1.00 0.00 C ATOM 1872 C ARG A 118 12.608 8.544 0.019 1.00 0.00 C ATOM 1873 O ARG A 118 12.031 7.872 0.850 1.00 0.00 O ATOM 1874 CB ARG A 118 14.992 8.597 0.873 1.00 0.00 C ATOM 1875 CG ARG A 118 14.565 7.612 1.972 1.00 0.00 C ATOM 1876 CD ARG A 118 15.822 7.010 2.610 1.00 0.00 C ATOM 1877 NE ARG A 118 15.457 6.029 3.679 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.342 5.150 4.084 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.487 5.053 3.464 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.077 4.360 5.097 1.00 0.00 N ATOM 0 H ARG A 118 13.568 10.128 2.418 1.00 0.00 H new ATOM 0 HA ARG A 118 14.090 9.997 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.413 8.046 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.779 9.249 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.967 8.124 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.941 6.824 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.422 6.516 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.437 7.804 3.033 1.00 0.00 H new ATOM 0 HE ARG A 118 14.524 6.044 4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.689 5.659 2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.179 4.371 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.178 4.427 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.770 3.678 5.407 1.00 0.00 H new ATOM 1894 N LEU A 119 12.248 8.528 -1.244 1.00 0.00 N ATOM 1895 CA LEU A 119 11.111 7.676 -1.729 1.00 0.00 C ATOM 1896 C LEU A 119 11.608 6.260 -2.066 1.00 0.00 C ATOM 1897 O LEU A 119 11.227 5.709 -3.076 1.00 0.00 O ATOM 1898 CB LEU A 119 10.508 8.268 -3.010 1.00 0.00 C ATOM 1899 CG LEU A 119 10.091 9.737 -2.815 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.235 9.875 -1.550 1.00 0.00 C ATOM 1901 CD2 LEU A 119 11.327 10.660 -2.718 1.00 0.00 C ATOM 0 H LEU A 119 12.702 9.079 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 119 10.364 7.641 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.235 8.200 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.641 7.680 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 119 9.506 10.042 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.944 10.917 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.341 9.258 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.810 9.548 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 119 11.001 11.691 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 119 11.941 10.357 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.911 10.583 -3.635 1.00 0.00 H new ATOM 1913 N ASP A 120 12.460 5.675 -1.260 1.00 0.00 N ATOM 1914 CA ASP A 120 12.977 4.286 -1.563 1.00 0.00 C ATOM 1915 C ASP A 120 12.850 3.419 -0.311 1.00 0.00 C ATOM 1916 O ASP A 120 13.711 2.618 -0.001 1.00 0.00 O ATOM 1917 CB ASP A 120 14.446 4.361 -1.994 1.00 0.00 C ATOM 1918 CG ASP A 120 15.324 4.800 -0.817 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.786 5.022 0.256 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.522 4.916 -1.013 1.00 0.00 O ATOM 0 H ASP A 120 12.825 6.092 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 120 12.392 3.848 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.775 3.388 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.554 5.064 -2.820 1.00 0.00 H new ATOM 1925 N GLY A 121 11.793 3.595 0.418 1.00 0.00 N ATOM 1926 CA GLY A 121 11.598 2.821 1.673 1.00 0.00 C ATOM 1927 C GLY A 121 11.567 1.332 1.377 1.00 0.00 C ATOM 1928 O GLY A 121 12.077 0.867 0.376 1.00 0.00 O ATOM 0 H GLY A 121 11.043 4.251 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.403 3.042 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.667 3.122 2.153 1.00 0.00 H new ATOM 1932 N MET A 122 10.940 0.585 2.239 1.00 0.00 N ATOM 1933 CA MET A 122 10.818 -0.879 2.030 1.00 0.00 C ATOM 1934 C MET A 122 9.414 -1.268 2.447 1.00 0.00 C ATOM 1935 O MET A 122 8.725 -0.509 3.098 1.00 0.00 O ATOM 1936 CB MET A 122 11.847 -1.648 2.868 1.00 0.00 C ATOM 1937 CG MET A 122 13.256 -1.069 2.649 1.00 0.00 C ATOM 1938 SD MET A 122 14.490 -2.365 2.934 1.00 0.00 S ATOM 1939 CE MET A 122 13.939 -2.859 4.583 1.00 0.00 C ATOM 0 H MET A 122 10.501 0.934 3.091 1.00 0.00 H new ATOM 0 HA MET A 122 11.006 -1.127 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.583 -1.589 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.834 -2.703 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.348 -0.681 1.635 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.427 -0.233 3.327 1.00 0.00 H new ATOM 0 HE1 MET A 122 14.758 -3.351 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.628 -1.977 5.142 1.00 0.00 H new ATOM 0 HE3 MET A 122 13.099 -3.547 4.495 1.00 0.00 H new ATOM 1949 N GLY A 123 8.957 -2.422 2.062 1.00 0.00 N ATOM 1950 CA GLY A 123 7.569 -2.805 2.432 1.00 0.00 C ATOM 1951 C GLY A 123 7.403 -4.312 2.421 1.00 0.00 C ATOM 1952 O GLY A 123 7.492 -4.962 1.396 1.00 0.00 O ATOM 0 H GLY A 123 9.475 -3.109 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.332 -2.416 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.864 -2.352 1.735 1.00 0.00 H new ATOM 1956 N CYS A 124 7.146 -4.870 3.567 1.00 0.00 N ATOM 1957 CA CYS A 124 6.938 -6.335 3.647 1.00 0.00 C ATOM 1958 C CYS A 124 5.499 -6.647 3.272 1.00 0.00 C ATOM 1959 O CYS A 124 4.580 -5.942 3.649 1.00 0.00 O ATOM 1960 CB CYS A 124 7.221 -6.842 5.068 1.00 0.00 C ATOM 1961 SG CYS A 124 8.861 -6.298 5.612 1.00 0.00 S ATOM 0 H CYS A 124 7.071 -4.371 4.454 1.00 0.00 H new ATOM 0 HA CYS A 124 7.622 -6.833 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.460 -6.468 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.165 -7.930 5.092 1.00 0.00 H new ATOM 0 HG CYS A 124 9.085 -6.733 6.817 1.00 0.00 H new ATOM 1967 N LEU A 125 5.299 -7.710 2.543 1.00 0.00 N ATOM 1968 CA LEU A 125 3.903 -8.113 2.140 1.00 0.00 C ATOM 1969 C LEU A 125 3.635 -9.500 2.715 1.00 0.00 C ATOM 1970 O LEU A 125 4.494 -10.350 2.718 1.00 0.00 O ATOM 1971 CB LEU A 125 3.798 -8.096 0.612 1.00 0.00 C ATOM 1972 CG LEU A 125 2.484 -8.716 0.133 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.309 -7.871 0.635 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.476 -8.744 -1.399 1.00 0.00 C ATOM 0 H LEU A 125 6.039 -8.325 2.203 1.00 0.00 H new ATOM 0 HA LEU A 125 3.155 -7.421 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.869 -7.069 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.637 -8.643 0.183 1.00 0.00 H new ATOM 0 HG LEU A 125 2.390 -9.730 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.372 -8.312 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.321 -7.842 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.396 -6.857 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.543 -9.185 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.564 -7.727 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.316 -9.340 -1.756 1.00 0.00 H new ATOM 1986 N GLU A 126 2.462 -9.727 3.253 1.00 0.00 N ATOM 1987 CA GLU A 126 2.188 -11.062 3.882 1.00 0.00 C ATOM 1988 C GLU A 126 0.717 -11.483 3.762 1.00 0.00 C ATOM 1989 O GLU A 126 -0.190 -10.748 4.086 1.00 0.00 O ATOM 1990 CB GLU A 126 2.550 -10.978 5.369 1.00 0.00 C ATOM 1991 CG GLU A 126 4.042 -10.680 5.523 1.00 0.00 C ATOM 1992 CD GLU A 126 4.456 -10.867 6.985 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.009 -10.089 7.812 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.209 -11.789 7.252 1.00 0.00 O ATOM 0 H GLU A 126 1.692 -9.059 3.286 1.00 0.00 H new ATOM 0 HA GLU A 126 2.787 -11.806 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.962 -10.198 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.304 -11.916 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.623 -11.343 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.254 -9.660 5.202 1.00 0.00 H new ATOM 2001 N PHE A 127 0.498 -12.703 3.349 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.885 -13.255 3.259 1.00 0.00 C ATOM 2003 C PHE A 127 -1.287 -13.719 4.674 1.00 0.00 C ATOM 2004 O PHE A 127 -1.004 -14.835 5.063 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.863 -14.448 2.260 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.584 -14.117 0.960 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.900 -13.490 -0.098 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.934 -14.460 0.803 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.567 -13.201 -1.295 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.599 -14.171 -0.396 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.916 -13.541 -1.445 1.00 0.00 C ATOM 0 H PHE A 127 1.233 -13.351 3.065 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.605 -12.517 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.170 -14.720 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.331 -15.317 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.143 -13.231 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.463 -14.948 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.040 -12.715 -2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.640 -14.434 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.430 -13.318 -2.368 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.925 -12.882 5.460 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.315 -13.314 6.846 1.00 0.00 C ATOM 2023 C ASP A 128 -3.611 -12.625 7.277 1.00 0.00 C ATOM 2024 O ASP A 128 -3.887 -12.480 8.451 1.00 0.00 O ATOM 2025 CB ASP A 128 -1.193 -12.970 7.836 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.490 -13.627 9.186 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.510 -14.289 9.287 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.693 -13.462 10.093 1.00 0.00 O ATOM 0 H ASP A 128 -2.191 -11.930 5.208 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.475 -14.392 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.234 -13.319 7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.115 -11.889 7.954 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.398 -12.194 6.340 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.672 -11.505 6.684 1.00 0.00 C ATOM 2035 C GLU A 129 -6.712 -12.477 7.290 1.00 0.00 C ATOM 2036 O GLU A 129 -7.162 -13.438 6.669 1.00 0.00 O ATOM 2037 CB GLU A 129 -6.210 -10.842 5.413 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.443 -9.546 5.121 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.781 -8.502 6.183 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.832 -7.894 6.077 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.981 -8.328 7.087 1.00 0.00 O ATOM 0 H GLU A 129 -4.215 -12.289 5.341 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.480 -10.753 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.115 -11.526 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.272 -10.625 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.370 -9.740 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.705 -9.171 4.132 1.00 0.00 H new ATOM 2048 N GLU A 130 -7.123 -12.214 8.505 1.00 0.00 N ATOM 2049 CA GLU A 130 -8.140 -13.085 9.143 1.00 0.00 C ATOM 2050 C GLU A 130 -9.405 -13.049 8.294 1.00 0.00 C ATOM 2051 O GLU A 130 -10.130 -14.020 8.183 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.437 -12.581 10.560 1.00 0.00 C ATOM 2053 CG GLU A 130 -9.122 -11.215 10.494 1.00 0.00 C ATOM 2054 CD GLU A 130 -9.171 -10.610 11.898 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.224 -9.929 12.257 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -10.146 -10.843 12.592 1.00 0.00 O ATOM 0 H GLU A 130 -6.796 -11.435 9.076 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.772 -14.109 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -9.076 -13.293 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.511 -12.506 11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.578 -10.554 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -10.131 -11.319 10.094 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.665 -11.946 7.645 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.863 -11.902 6.780 1.00 0.00 C ATOM 2065 C ARG A 131 -10.596 -12.814 5.576 1.00 0.00 C ATOM 2066 O ARG A 131 -11.486 -13.157 4.823 1.00 0.00 O ATOM 2067 CB ARG A 131 -11.196 -10.464 6.353 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.984 -9.788 5.733 1.00 0.00 C ATOM 2069 CD ARG A 131 -10.366 -8.362 5.328 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.618 -7.555 6.559 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.758 -6.260 6.482 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.673 -5.658 5.325 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.989 -5.568 7.566 1.00 0.00 N ATOM 0 H ARG A 131 -9.108 -11.092 7.679 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.738 -12.257 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -12.018 -10.474 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.534 -9.893 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.158 -9.770 6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.643 -10.349 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.566 -7.911 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -11.256 -8.376 4.699 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.681 -8.019 7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.497 -6.201 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.783 -4.646 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -11.059 -6.040 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -11.099 -4.555 7.511 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.366 -13.246 5.413 1.00 0.00 N ATOM 2088 CA ALA A 132 -9.045 -14.179 4.292 1.00 0.00 C ATOM 2089 C ALA A 132 -9.781 -15.469 4.543 1.00 0.00 C ATOM 2090 O ALA A 132 -10.382 -16.032 3.658 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.531 -14.468 4.248 1.00 0.00 C ATOM 0 H ALA A 132 -8.576 -12.992 6.007 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.342 -13.732 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.314 -15.150 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.987 -13.535 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.220 -14.924 5.188 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.745 -15.951 5.740 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.460 -17.230 6.004 1.00 0.00 C ATOM 2099 C GLN A 133 -11.971 -17.048 5.751 1.00 0.00 C ATOM 2100 O GLN A 133 -12.608 -17.880 5.119 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.177 -17.699 7.450 1.00 0.00 C ATOM 2102 CG GLN A 133 -11.147 -17.060 8.457 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.635 -17.308 9.885 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.447 -17.442 10.103 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -11.485 -17.365 10.877 1.00 0.00 N ATOM 0 H GLN A 133 -9.265 -15.533 6.537 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.098 -18.001 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.261 -18.784 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -9.152 -17.445 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -11.231 -15.990 8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -12.144 -17.483 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.483 -17.253 10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.150 -17.521 11.828 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.560 -15.978 6.228 1.00 0.00 N ATOM 2115 CA GLN A 134 -14.033 -15.799 6.003 1.00 0.00 C ATOM 2116 C GLN A 134 -14.342 -15.380 4.557 1.00 0.00 C ATOM 2117 O GLN A 134 -15.272 -15.878 3.949 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.590 -14.754 6.987 1.00 0.00 C ATOM 2119 CG GLN A 134 -14.367 -13.321 6.479 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.582 -12.339 7.631 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.047 -12.521 8.706 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -15.348 -11.301 7.454 1.00 0.00 N ATOM 0 H GLN A 134 -12.099 -15.235 6.752 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.517 -16.760 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.656 -14.926 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.109 -14.875 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.358 -13.217 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -15.056 -13.100 5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.798 -11.147 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.498 -10.642 8.218 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.599 -14.461 4.007 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.899 -14.016 2.618 1.00 0.00 C ATOM 2133 C GLU A 135 -13.608 -15.144 1.630 1.00 0.00 C ATOM 2134 O GLU A 135 -14.237 -15.247 0.595 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.080 -12.751 2.290 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.702 -13.104 1.698 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.820 -13.310 0.183 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.476 -12.505 -0.456 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.257 -14.269 -0.310 1.00 0.00 O ATOM 0 H GLU A 135 -12.805 -14.003 4.454 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.957 -13.767 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.633 -12.133 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.947 -12.159 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.990 -12.306 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.316 -14.009 2.168 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.663 -15.991 1.926 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.369 -17.092 0.973 1.00 0.00 C ATOM 2148 C ASP A 136 -13.605 -17.975 0.847 1.00 0.00 C ATOM 2149 O ASP A 136 -13.946 -18.430 -0.227 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.183 -17.932 1.448 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.672 -18.780 0.284 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.438 -19.003 -0.639 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.524 -19.185 0.331 1.00 0.00 O ATOM 0 H ASP A 136 -12.092 -15.970 2.771 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.110 -16.661 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.388 -17.285 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.484 -18.573 2.276 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.285 -18.217 1.936 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.509 -19.063 1.864 1.00 0.00 C ATOM 2160 C ALA A 137 -16.548 -18.373 0.983 1.00 0.00 C ATOM 2161 O ALA A 137 -17.248 -19.005 0.220 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.090 -19.241 3.264 1.00 0.00 C ATOM 0 H ALA A 137 -14.048 -17.868 2.865 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.251 -20.036 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.986 -19.860 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.353 -19.724 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.347 -18.266 3.678 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.655 -17.075 1.099 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.650 -16.316 0.287 1.00 0.00 C ATOM 2170 C LEU A 138 -17.095 -16.117 -1.131 1.00 0.00 C ATOM 2171 O LEU A 138 -17.787 -15.655 -2.019 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.904 -14.939 0.928 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.417 -15.085 2.374 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.658 -13.687 2.972 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.729 -15.892 2.400 1.00 0.00 C ATOM 0 H LEU A 138 -16.090 -16.504 1.728 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.586 -16.874 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.983 -14.357 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.633 -14.387 0.334 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.669 -15.615 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.021 -13.786 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.724 -13.125 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.400 -13.158 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.078 -15.986 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.484 -15.378 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.554 -16.884 1.984 1.00 0.00 H new ATOM 2187 N ALA A 139 -15.848 -16.452 -1.348 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.242 -16.271 -2.704 1.00 0.00 C ATOM 2189 C ALA A 139 -15.889 -17.250 -3.689 1.00 0.00 C ATOM 2190 O ALA A 139 -15.665 -17.179 -4.880 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.730 -16.532 -2.649 1.00 0.00 C ATOM 0 H ALA A 139 -15.222 -16.844 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.415 -15.247 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.301 -16.397 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.265 -15.832 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.549 -17.552 -2.311 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.681 -18.174 -3.206 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.322 -19.156 -4.137 1.00 0.00 C ATOM 2199 C GLN A 140 -18.484 -18.486 -4.877 1.00 0.00 C ATOM 2200 O GLN A 140 -19.049 -17.516 -4.416 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.888 -20.337 -3.345 1.00 0.00 C ATOM 2202 CG GLN A 140 -18.896 -19.817 -2.316 1.00 0.00 C ATOM 2203 CD GLN A 140 -19.288 -20.939 -1.350 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.458 -21.731 -0.950 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -20.529 -21.037 -0.950 1.00 0.00 N ATOM 0 H GLN A 140 -16.911 -18.292 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 140 -16.568 -19.502 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.371 -21.044 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -17.082 -20.873 -2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -18.465 -18.984 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -19.783 -19.437 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -21.227 -20.373 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -20.799 -21.778 -0.303 1.00 0.00 H new ATOM 2214 N GLN A 141 -18.856 -19.018 -6.016 1.00 0.00 N ATOM 2215 CA GLN A 141 -19.998 -18.436 -6.790 1.00 0.00 C ATOM 2216 C GLN A 141 -21.297 -19.111 -6.344 1.00 0.00 C ATOM 2217 O GLN A 141 -21.277 -19.774 -5.320 1.00 0.00 O ATOM 2218 CB GLN A 141 -19.800 -18.707 -8.286 1.00 0.00 C ATOM 2219 CG GLN A 141 -18.537 -18.009 -8.791 1.00 0.00 C ATOM 2220 CD GLN A 141 -18.339 -18.331 -10.275 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -18.954 -19.239 -10.799 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -17.494 -17.627 -10.977 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.288 -18.963 -7.040 1.00 0.00 O ATOM 0 H GLN A 141 -18.417 -19.833 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 141 -20.044 -17.362 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -19.725 -19.780 -8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.667 -18.353 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -18.622 -16.932 -8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -17.671 -18.339 -8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -16.977 -16.865 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -17.350 -17.839 -11.964 1.00 0.00 H new TER 2232 GLN A 141