USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 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 83 HIS : no HE2:sc= 1.09 K(o=4.3,f=-3.8!) USER MOD Set 1.2: A 98 ASN : amide:sc= 1.05 K(o=4.3,f=-5.5!) USER MOD Set 1.3: A 100 THR OG1 : rot -83:sc= 2.14 USER MOD Set 2.1: A 62 TYR OH : rot 165:sc= -1.86! USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.386 K(o=-1.5,f=-4.2!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 168:sc= 0.771 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 1.76 K(o=2.5,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0634 (180deg=-0.176) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 8 THR OG1 : rot 174:sc= -0.401! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 18 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0427) USER MOD Single : A 24 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.402 F(o=-1,f=-0.4) USER MOD Single : A 28 SER OG : rot -76:sc= 0.00941 USER MOD Single : A 29 THR OG1 : rot -41:sc= 0.629 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00796 USER MOD Single : A 40 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.026) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.069) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 64 SER OG : rot 77:sc= 0.341 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0547 (180deg=-0.363) USER MOD Single : A 68 SER OG : rot 69:sc= 0.194 USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -113:sc= -0.204 (180deg=-3.1!) USER MOD Single : A 87 SER OG : rot 53:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.5) USER MOD Single : A 92 SER OG : rot -33:sc= 0.0211 USER MOD Single : A 97 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ -121:sc= 0.849 (180deg=0.152) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.032) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.3 F(o=-1.3,f=-0.3) USER MOD Single : A 114 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.18) USER MOD Single : A 115 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.230 29.042 -10.582 1.00 0.00 N ATOM 2 CA MET A 1 5.064 29.142 -9.363 1.00 0.00 C ATOM 3 C MET A 1 5.282 27.756 -8.772 1.00 0.00 C ATOM 4 O MET A 1 4.594 26.803 -9.144 1.00 0.00 O ATOM 5 CB MET A 1 4.390 30.042 -8.321 1.00 0.00 C ATOM 6 CG MET A 1 4.158 31.469 -8.792 1.00 0.00 C ATOM 7 SD MET A 1 5.692 32.358 -9.133 1.00 0.00 S ATOM 8 CE MET A 1 5.044 33.934 -9.689 1.00 0.00 C ATOM 0 H1 MET A 1 4.677 29.577 -11.353 1.00 0.00 H new ATOM 0 H2 MET A 1 4.140 28.044 -10.860 1.00 0.00 H new ATOM 0 H3 MET A 1 3.286 29.435 -10.390 1.00 0.00 H new ATOM 0 HA MET A 1 6.025 29.579 -9.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.432 29.603 -8.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.006 30.063 -7.422 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.546 31.453 -9.694 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.593 32.009 -8.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.870 34.599 -9.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.421 33.781 -10.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.446 34.382 -8.896 1.00 0.00 H new ATOM 20 N ILE A 2 6.246 27.649 -7.864 1.00 0.00 N ATOM 21 CA ILE A 2 6.533 26.389 -7.184 1.00 0.00 C ATOM 22 C ILE A 2 5.300 25.865 -6.452 1.00 0.00 C ATOM 23 O ILE A 2 4.593 26.621 -5.782 1.00 0.00 O ATOM 24 CB ILE A 2 7.693 26.540 -6.173 1.00 0.00 C ATOM 25 CG1 ILE A 2 7.397 27.661 -5.171 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.999 26.806 -6.901 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.442 27.802 -4.084 1.00 0.00 C ATOM 0 H ILE A 2 6.845 28.424 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 2 6.826 25.676 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 2 7.789 25.606 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.317 28.605 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.428 27.475 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.806 26.910 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.218 25.974 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.912 27.725 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.163 28.615 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.507 26.872 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.410 28.020 -4.536 1.00 0.00 H new ATOM 39 N GLU A 3 5.034 24.577 -6.599 1.00 0.00 N ATOM 40 CA GLU A 3 3.921 23.952 -5.905 1.00 0.00 C ATOM 41 C GLU A 3 4.385 22.719 -5.144 1.00 0.00 C ATOM 42 O GLU A 3 4.423 21.612 -5.690 1.00 0.00 O ATOM 43 CB GLU A 3 2.795 23.576 -6.872 1.00 0.00 C ATOM 44 CG GLU A 3 2.059 24.774 -7.451 1.00 0.00 C ATOM 45 CD GLU A 3 0.880 24.368 -8.307 1.00 0.00 C ATOM 46 OE1 GLU A 3 1.080 24.105 -9.509 1.00 0.00 O ATOM 47 OE2 GLU A 3 -0.253 24.318 -7.784 1.00 0.00 O ATOM 0 H GLU A 3 5.573 23.945 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 3 3.530 24.681 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.212 22.987 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.080 22.938 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.712 25.411 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.751 25.368 -8.048 1.00 0.00 H new ATOM 54 N PRO A 4 4.760 22.901 -3.872 1.00 0.00 N ATOM 55 CA PRO A 4 5.148 21.805 -2.992 1.00 0.00 C ATOM 56 C PRO A 4 3.940 21.216 -2.275 1.00 0.00 C ATOM 57 O PRO A 4 4.068 20.588 -1.222 1.00 0.00 O ATOM 58 CB PRO A 4 6.078 22.499 -2.006 1.00 0.00 C ATOM 59 CG PRO A 4 5.506 23.870 -1.863 1.00 0.00 C ATOM 60 CD PRO A 4 4.853 24.204 -3.183 1.00 0.00 C ATOM 0 HA PRO A 4 5.606 20.967 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.105 21.977 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.101 22.532 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.779 23.904 -1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.286 24.592 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.870 24.652 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.448 24.917 -3.754 1.00 0.00 H new ATOM 68 N SER A 5 2.772 21.429 -2.868 1.00 0.00 N ATOM 69 CA SER A 5 1.512 20.986 -2.301 1.00 0.00 C ATOM 70 C SER A 5 1.469 19.466 -2.188 1.00 0.00 C ATOM 71 O SER A 5 0.916 18.922 -1.236 1.00 0.00 O ATOM 72 CB SER A 5 0.366 21.473 -3.185 1.00 0.00 C ATOM 73 OG SER A 5 0.569 22.821 -3.584 1.00 0.00 O ATOM 0 H SER A 5 2.675 21.916 -3.759 1.00 0.00 H new ATOM 0 HA SER A 5 1.412 21.403 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.286 20.837 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.577 21.388 -2.644 1.00 0.00 H new ATOM 0 HG SER A 5 -0.176 23.110 -4.151 1.00 0.00 H new ATOM 79 N LYS A 6 2.057 18.787 -3.165 1.00 0.00 N ATOM 80 CA LYS A 6 2.040 17.330 -3.200 1.00 0.00 C ATOM 81 C LYS A 6 3.456 16.791 -3.323 1.00 0.00 C ATOM 82 O LYS A 6 4.187 17.163 -4.242 1.00 0.00 O ATOM 83 CB LYS A 6 1.190 16.827 -4.373 1.00 0.00 C ATOM 84 CG LYS A 6 -0.233 17.366 -4.381 1.00 0.00 C ATOM 85 CD LYS A 6 -0.961 17.060 -3.080 1.00 0.00 C ATOM 86 CE LYS A 6 -1.160 15.570 -2.880 1.00 0.00 C ATOM 87 NZ LYS A 6 -1.648 15.257 -1.513 1.00 0.00 N ATOM 0 H LYS A 6 2.552 19.222 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 6 1.600 16.971 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.678 17.104 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.155 15.738 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.212 18.444 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.782 16.930 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.394 17.466 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.930 17.559 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.873 15.197 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.218 15.051 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.964 14.267 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.879 15.401 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.444 15.883 -1.277 1.00 0.00 H new ATOM 101 N ILE A 7 3.844 15.926 -2.395 1.00 0.00 N ATOM 102 CA ILE A 7 5.178 15.341 -2.422 1.00 0.00 C ATOM 103 C ILE A 7 5.089 13.827 -2.598 1.00 0.00 C ATOM 104 O ILE A 7 5.269 13.306 -3.699 1.00 0.00 O ATOM 105 CB ILE A 7 5.998 15.654 -1.140 1.00 0.00 C ATOM 106 CG1 ILE A 7 6.014 17.156 -0.827 1.00 0.00 C ATOM 107 CG2 ILE A 7 7.425 15.144 -1.283 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.805 17.634 -0.054 1.00 0.00 C ATOM 0 H ILE A 7 3.259 15.616 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 7 5.696 15.792 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 7 5.511 15.141 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.913 17.389 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.078 17.711 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.985 15.372 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.412 14.066 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.901 15.629 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.890 18.705 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.902 17.435 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.750 17.107 0.899 1.00 0.00 H new ATOM 120 N THR A 8 4.796 13.126 -1.512 1.00 0.00 N ATOM 121 CA THR A 8 4.702 11.676 -1.535 1.00 0.00 C ATOM 122 C THR A 8 3.326 11.204 -1.063 1.00 0.00 C ATOM 123 O THR A 8 2.548 11.989 -0.515 1.00 0.00 O ATOM 124 CB THR A 8 5.800 11.048 -0.652 1.00 0.00 C ATOM 125 OG1 THR A 8 5.865 11.730 0.607 1.00 0.00 O ATOM 126 CG2 THR A 8 7.156 11.113 -1.339 1.00 0.00 C ATOM 0 H THR A 8 4.618 13.543 -0.598 1.00 0.00 H new ATOM 0 HA THR A 8 4.844 11.352 -2.566 1.00 0.00 H new ATOM 0 HB THR A 8 5.546 10.001 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.490 11.263 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.912 10.664 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.112 10.568 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.416 12.154 -1.533 1.00 0.00 H new ATOM 134 N VAL A 9 3.031 9.927 -1.281 1.00 0.00 N ATOM 135 CA VAL A 9 1.760 9.335 -0.868 1.00 0.00 C ATOM 136 C VAL A 9 1.583 9.404 0.652 1.00 0.00 C ATOM 137 O VAL A 9 0.471 9.571 1.154 1.00 0.00 O ATOM 138 CB VAL A 9 1.664 7.862 -1.329 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.341 7.237 -0.917 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.847 7.759 -2.836 1.00 0.00 C ATOM 0 H VAL A 9 3.662 9.274 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 9 0.965 9.912 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 9 2.466 7.310 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.306 6.202 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.247 7.266 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.481 7.794 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.776 6.715 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.070 8.337 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.826 8.152 -3.111 1.00 0.00 H new ATOM 150 N GLU A 10 2.692 9.307 1.376 1.00 0.00 N ATOM 151 CA GLU A 10 2.659 9.325 2.836 1.00 0.00 C ATOM 152 C GLU A 10 2.075 10.643 3.355 1.00 0.00 C ATOM 153 O GLU A 10 1.574 10.709 4.476 1.00 0.00 O ATOM 154 CB GLU A 10 4.070 9.129 3.395 1.00 0.00 C ATOM 155 CG GLU A 10 4.951 10.357 3.241 1.00 0.00 C ATOM 156 CD GLU A 10 6.410 10.077 3.503 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.738 9.562 4.589 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.235 10.372 2.612 1.00 0.00 O ATOM 0 H GLU A 10 3.626 9.215 0.977 1.00 0.00 H new ATOM 0 HA GLU A 10 2.020 8.508 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.002 8.869 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.541 8.286 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.839 10.753 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.607 11.131 3.927 1.00 0.00 H new ATOM 165 N GLN A 11 2.135 11.682 2.519 1.00 0.00 N ATOM 166 CA GLN A 11 1.650 13.005 2.893 1.00 0.00 C ATOM 167 C GLN A 11 0.161 12.973 3.220 1.00 0.00 C ATOM 168 O GLN A 11 -0.257 13.404 4.297 1.00 0.00 O ATOM 169 CB GLN A 11 1.893 14.004 1.763 1.00 0.00 C ATOM 170 CG GLN A 11 1.470 15.423 2.106 1.00 0.00 C ATOM 171 CD GLN A 11 1.268 16.284 0.877 1.00 0.00 C ATOM 172 OE1 GLN A 11 0.886 15.789 -0.189 1.00 0.00 O ATOM 173 NE2 GLN A 11 1.528 17.570 1.009 1.00 0.00 N ATOM 0 H GLN A 11 2.517 11.628 1.575 1.00 0.00 H new ATOM 0 HA GLN A 11 2.200 13.317 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.953 14.001 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.351 13.676 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.544 15.393 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.227 15.879 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.841 17.937 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.416 18.197 0.213 1.00 0.00 H new ATOM 182 N TRP A 12 -0.643 12.454 2.296 1.00 0.00 N ATOM 183 CA TRP A 12 -2.080 12.437 2.501 1.00 0.00 C ATOM 184 C TRP A 12 -2.445 11.337 3.485 1.00 0.00 C ATOM 185 O TRP A 12 -3.465 11.421 4.156 1.00 0.00 O ATOM 186 CB TRP A 12 -2.853 12.291 1.177 1.00 0.00 C ATOM 187 CG TRP A 12 -2.975 10.889 0.658 1.00 0.00 C ATOM 188 CD1 TRP A 12 -2.094 10.228 -0.146 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.063 9.984 0.891 1.00 0.00 C ATOM 190 NE1 TRP A 12 -2.557 8.963 -0.410 1.00 0.00 N ATOM 191 CE2 TRP A 12 -3.766 8.791 0.211 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.257 10.067 1.615 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -4.618 7.688 0.232 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -6.101 8.973 1.635 1.00 0.00 C ATOM 195 CH2 TRP A 12 -5.779 7.798 0.946 1.00 0.00 C ATOM 0 H TRP A 12 -0.328 12.048 1.415 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.375 13.398 2.922 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.855 12.699 1.313 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.361 12.900 0.419 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.168 10.639 -0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.078 8.264 -0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.515 10.970 2.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.370 6.779 -0.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -7.025 9.026 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.461 6.961 0.979 1.00 0.00 H new ATOM 206 N LEU A 13 -1.593 10.314 3.579 1.00 0.00 N ATOM 207 CA LEU A 13 -1.759 9.278 4.594 1.00 0.00 C ATOM 208 C LEU A 13 -1.667 9.888 5.989 1.00 0.00 C ATOM 209 O LEU A 13 -2.464 9.570 6.868 1.00 0.00 O ATOM 210 CB LEU A 13 -0.704 8.175 4.443 1.00 0.00 C ATOM 211 CG LEU A 13 -1.180 6.880 3.772 1.00 0.00 C ATOM 212 CD1 LEU A 13 -2.391 6.313 4.498 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.491 7.109 2.304 1.00 0.00 C ATOM 0 H LEU A 13 -0.787 10.183 2.968 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.744 8.832 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.131 8.574 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.320 7.929 5.433 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.372 6.151 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.713 5.395 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.126 6.097 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.202 7.040 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.826 6.175 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.276 7.859 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.594 7.458 1.792 1.00 0.00 H new ATOM 225 N ASN A 14 -0.692 10.773 6.176 1.00 0.00 N ATOM 226 CA ASN A 14 -0.515 11.475 7.444 1.00 0.00 C ATOM 227 C ASN A 14 -1.758 12.286 7.789 1.00 0.00 C ATOM 228 O ASN A 14 -2.268 12.208 8.907 1.00 0.00 O ATOM 229 CB ASN A 14 0.717 12.383 7.380 1.00 0.00 C ATOM 230 CG ASN A 14 0.823 13.323 8.569 1.00 0.00 C ATOM 231 OD1 ASN A 14 0.346 14.457 8.519 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.443 12.864 9.645 1.00 0.00 N ATOM 0 H ASN A 14 -0.009 11.022 5.461 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.363 10.735 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.614 11.766 7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.682 12.970 6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.538 13.456 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.825 11.918 9.649 1.00 0.00 H new ATOM 239 N ARG A 15 -2.254 13.047 6.820 1.00 0.00 N ATOM 240 CA ARG A 15 -3.456 13.853 7.019 1.00 0.00 C ATOM 241 C ARG A 15 -4.664 12.961 7.282 1.00 0.00 C ATOM 242 O ARG A 15 -5.418 13.185 8.227 1.00 0.00 O ATOM 243 CB ARG A 15 -3.730 14.731 5.797 1.00 0.00 C ATOM 244 CG ARG A 15 -2.650 15.762 5.518 1.00 0.00 C ATOM 245 CD ARG A 15 -2.501 16.745 6.667 1.00 0.00 C ATOM 246 NE ARG A 15 -1.502 17.767 6.370 1.00 0.00 N ATOM 247 CZ ARG A 15 -0.797 18.414 7.297 1.00 0.00 C ATOM 248 NH1 ARG A 15 -1.030 18.200 8.588 1.00 0.00 N ATOM 249 NH2 ARG A 15 0.125 19.293 6.929 1.00 0.00 N ATOM 0 H ARG A 15 -1.844 13.124 5.889 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.287 14.492 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.841 14.091 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.680 15.246 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.700 15.256 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.892 16.304 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.461 17.221 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.216 16.208 7.572 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.333 18.000 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.751 17.538 8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.487 18.698 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.293 19.472 5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.667 19.790 7.636 1.00 0.00 H new ATOM 263 N TRP A 16 -4.825 11.952 6.439 1.00 0.00 N ATOM 264 CA TRP A 16 -5.947 11.024 6.522 1.00 0.00 C ATOM 265 C TRP A 16 -5.996 10.345 7.881 1.00 0.00 C ATOM 266 O TRP A 16 -6.966 10.480 8.626 1.00 0.00 O ATOM 267 CB TRP A 16 -5.805 9.956 5.440 1.00 0.00 C ATOM 268 CG TRP A 16 -6.992 9.052 5.315 1.00 0.00 C ATOM 269 CD1 TRP A 16 -8.206 9.361 4.774 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.074 7.682 5.726 1.00 0.00 C ATOM 271 NE1 TRP A 16 -9.040 8.273 4.833 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.368 7.229 5.412 1.00 0.00 C ATOM 273 CE3 TRP A 16 -6.177 6.797 6.331 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -8.788 5.930 5.682 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -6.597 5.507 6.600 1.00 0.00 C ATOM 276 CH2 TRP A 16 -7.891 5.085 6.274 1.00 0.00 C ATOM 0 H TRP A 16 -4.180 11.752 5.675 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.868 11.590 6.379 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.632 10.446 4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.923 9.352 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.472 10.322 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.004 8.246 4.500 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.176 7.114 6.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.786 5.601 5.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.915 4.814 7.070 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.187 4.070 6.495 1.00 0.00 H new ATOM 287 N LEU A 17 -4.931 9.627 8.196 1.00 0.00 N ATOM 288 CA LEU A 17 -4.861 8.837 9.408 1.00 0.00 C ATOM 289 C LEU A 17 -5.017 9.703 10.659 1.00 0.00 C ATOM 290 O LEU A 17 -5.661 9.294 11.618 1.00 0.00 O ATOM 291 CB LEU A 17 -3.548 8.040 9.415 1.00 0.00 C ATOM 292 CG LEU A 17 -3.041 7.576 10.781 1.00 0.00 C ATOM 293 CD1 LEU A 17 -2.379 6.209 10.671 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.053 8.590 11.326 1.00 0.00 C ATOM 0 H LEU A 17 -4.092 9.577 7.617 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.695 8.135 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.678 7.162 8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.774 8.653 8.954 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.888 7.493 11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.025 5.896 11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.102 5.484 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.536 6.267 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.692 8.259 12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.212 8.684 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.545 9.557 11.431 1.00 0.00 H new ATOM 306 N THR A 18 -4.456 10.904 10.641 1.00 0.00 N ATOM 307 CA THR A 18 -4.546 11.792 11.794 1.00 0.00 C ATOM 308 C THR A 18 -5.966 12.339 11.962 1.00 0.00 C ATOM 309 O THR A 18 -6.551 12.256 13.044 1.00 0.00 O ATOM 310 CB THR A 18 -3.553 12.966 11.677 1.00 0.00 C ATOM 311 OG1 THR A 18 -2.210 12.466 11.567 1.00 0.00 O ATOM 312 CG2 THR A 18 -3.655 13.894 12.881 1.00 0.00 C ATOM 0 H THR A 18 -3.938 11.284 9.849 1.00 0.00 H new ATOM 0 HA THR A 18 -4.288 11.200 12.673 1.00 0.00 H new ATOM 0 HB THR A 18 -3.807 13.533 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.081 12.068 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.943 14.712 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.665 14.298 12.945 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.429 13.337 13.790 1.00 0.00 H new ATOM 320 N ASP A 19 -6.523 12.873 10.882 1.00 0.00 N ATOM 321 CA ASP A 19 -7.824 13.530 10.940 1.00 0.00 C ATOM 322 C ASP A 19 -8.953 12.521 11.121 1.00 0.00 C ATOM 323 O ASP A 19 -9.845 12.714 11.948 1.00 0.00 O ATOM 324 CB ASP A 19 -8.065 14.352 9.670 1.00 0.00 C ATOM 325 CG ASP A 19 -9.375 15.117 9.710 1.00 0.00 C ATOM 326 OD1 ASP A 19 -9.422 16.182 10.365 1.00 0.00 O ATOM 327 OD2 ASP A 19 -10.362 14.662 9.087 1.00 0.00 O ATOM 0 H ASP A 19 -6.095 12.864 9.956 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.817 14.193 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.242 15.054 9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.063 13.688 8.806 1.00 0.00 H new ATOM 332 N TYR A 20 -8.895 11.432 10.366 1.00 0.00 N ATOM 333 CA TYR A 20 -9.992 10.478 10.324 1.00 0.00 C ATOM 334 C TYR A 20 -9.841 9.374 11.368 1.00 0.00 C ATOM 335 O TYR A 20 -10.677 8.475 11.447 1.00 0.00 O ATOM 336 CB TYR A 20 -10.122 9.884 8.920 1.00 0.00 C ATOM 337 CG TYR A 20 -10.471 10.923 7.875 1.00 0.00 C ATOM 338 CD1 TYR A 20 -11.789 11.296 7.657 1.00 0.00 C ATOM 339 CD2 TYR A 20 -9.482 11.542 7.123 1.00 0.00 C ATOM 340 CE1 TYR A 20 -12.111 12.257 6.718 1.00 0.00 C ATOM 341 CE2 TYR A 20 -9.797 12.502 6.181 1.00 0.00 C ATOM 342 CZ TYR A 20 -11.112 12.859 5.984 1.00 0.00 C ATOM 343 OH TYR A 20 -11.430 13.823 5.053 1.00 0.00 O ATOM 0 H TYR A 20 -8.100 11.189 9.775 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.906 11.020 10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.184 9.400 8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.889 9.110 8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.576 10.828 8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.449 11.268 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.142 12.536 6.560 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.015 12.970 5.602 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.610 14.147 4.624 1.00 0.00 H new ATOM 353 N ALA A 21 -8.777 9.432 12.164 1.00 0.00 N ATOM 354 CA ALA A 21 -8.660 8.547 13.318 1.00 0.00 C ATOM 355 C ALA A 21 -9.755 8.871 14.319 1.00 0.00 C ATOM 356 O ALA A 21 -10.404 7.974 14.859 1.00 0.00 O ATOM 357 CB ALA A 21 -7.297 8.675 13.979 1.00 0.00 C ATOM 0 H ALA A 21 -7.994 10.073 12.034 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.768 7.519 12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.243 8.002 14.835 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.519 8.413 13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.150 9.702 14.314 1.00 0.00 H new ATOM 363 N LYS A 22 -9.956 10.170 14.532 1.00 0.00 N ATOM 364 CA LYS A 22 -10.992 10.682 15.426 1.00 0.00 C ATOM 365 C LYS A 22 -10.737 10.217 16.862 1.00 0.00 C ATOM 366 O LYS A 22 -11.130 9.116 17.256 1.00 0.00 O ATOM 367 CB LYS A 22 -12.378 10.258 14.926 1.00 0.00 C ATOM 368 CG LYS A 22 -13.520 11.105 15.457 1.00 0.00 C ATOM 369 CD LYS A 22 -14.748 10.973 14.569 1.00 0.00 C ATOM 370 CE LYS A 22 -15.902 11.822 15.066 1.00 0.00 C ATOM 371 NZ LYS A 22 -16.442 11.328 16.357 1.00 0.00 N ATOM 0 H LYS A 22 -9.401 10.901 14.086 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.959 11.771 15.426 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.387 10.299 13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.551 9.219 15.207 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.766 10.797 16.473 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.212 12.149 15.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.493 11.268 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.057 9.928 14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.569 12.853 15.184 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.696 11.827 14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.301 11.862 16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.674 10.318 16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.730 11.458 17.104 1.00 0.00 H new ATOM 385 N PRO A 23 -10.061 11.069 17.652 1.00 0.00 N ATOM 386 CA PRO A 23 -9.571 10.729 19.000 1.00 0.00 C ATOM 387 C PRO A 23 -10.619 10.092 19.914 1.00 0.00 C ATOM 388 O PRO A 23 -11.636 10.704 20.240 1.00 0.00 O ATOM 389 CB PRO A 23 -9.134 12.080 19.565 1.00 0.00 C ATOM 390 CG PRO A 23 -8.767 12.885 18.369 1.00 0.00 C ATOM 391 CD PRO A 23 -9.720 12.460 17.286 1.00 0.00 C ATOM 0 HA PRO A 23 -8.784 9.977 18.943 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.938 12.552 20.130 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.289 11.971 20.244 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.856 13.952 18.573 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.733 12.702 18.075 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.605 13.096 17.258 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.257 12.514 16.301 1.00 0.00 H new ATOM 399 N HIS A 24 -10.347 8.855 20.314 1.00 0.00 N ATOM 400 CA HIS A 24 -11.160 8.139 21.293 1.00 0.00 C ATOM 401 C HIS A 24 -10.291 7.167 22.072 1.00 0.00 C ATOM 402 O HIS A 24 -9.067 7.174 21.934 1.00 0.00 O ATOM 403 CB HIS A 24 -12.310 7.374 20.634 1.00 0.00 C ATOM 404 CG HIS A 24 -13.585 8.154 20.549 1.00 0.00 C ATOM 405 ND1 HIS A 24 -14.513 8.184 21.564 1.00 0.00 N ATOM 406 CD2 HIS A 24 -14.081 8.946 19.570 1.00 0.00 C ATOM 407 CE1 HIS A 24 -15.522 8.957 21.216 1.00 0.00 C ATOM 408 NE2 HIS A 24 -15.286 9.435 20.007 1.00 0.00 N ATOM 0 H HIS A 24 -9.553 8.317 19.967 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.591 8.881 21.965 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.008 7.078 19.629 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.493 6.457 21.195 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -13.614 9.155 18.619 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.395 9.165 21.818 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.898 10.063 19.486 1.00 0.00 H new ATOM 417 N LEU A 25 -10.926 6.322 22.870 1.00 0.00 N ATOM 418 CA LEU A 25 -10.208 5.371 23.703 1.00 0.00 C ATOM 419 C LEU A 25 -9.595 4.260 22.857 1.00 0.00 C ATOM 420 O LEU A 25 -10.307 3.468 22.237 1.00 0.00 O ATOM 421 CB LEU A 25 -11.145 4.779 24.755 1.00 0.00 C ATOM 422 CG LEU A 25 -10.476 3.867 25.783 1.00 0.00 C ATOM 423 CD1 LEU A 25 -9.402 4.628 26.547 1.00 0.00 C ATOM 424 CD2 LEU A 25 -11.513 3.297 26.736 1.00 0.00 C ATOM 0 H LEU A 25 -11.941 6.276 22.958 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.399 5.901 24.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.635 5.597 25.283 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.926 4.214 24.246 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.000 3.038 25.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.935 3.965 27.275 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.647 4.990 25.849 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.854 5.474 27.064 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.022 2.649 27.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.015 4.112 27.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.247 2.720 26.173 1.00 0.00 H new ATOM 436 N ARG A 26 -8.273 4.221 22.825 1.00 0.00 N ATOM 437 CA ARG A 26 -7.547 3.195 22.090 1.00 0.00 C ATOM 438 C ARG A 26 -6.516 2.530 22.993 1.00 0.00 C ATOM 439 O ARG A 26 -6.379 1.304 22.994 1.00 0.00 O ATOM 440 CB ARG A 26 -6.855 3.804 20.870 1.00 0.00 C ATOM 441 CG ARG A 26 -7.818 4.376 19.841 1.00 0.00 C ATOM 442 CD ARG A 26 -7.087 5.122 18.738 1.00 0.00 C ATOM 443 NE ARG A 26 -6.132 4.272 18.031 1.00 0.00 N ATOM 444 CZ ARG A 26 -5.429 4.668 16.974 1.00 0.00 C ATOM 445 NH1 ARG A 26 -5.548 5.909 16.511 1.00 0.00 N ATOM 446 NH2 ARG A 26 -4.588 3.831 16.392 1.00 0.00 N ATOM 0 H ARG A 26 -7.675 4.894 23.304 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.259 2.442 21.752 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.182 4.594 21.202 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.240 3.040 20.394 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.406 3.568 19.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.518 5.051 20.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.813 5.518 18.028 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.562 5.976 19.166 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.997 3.319 18.368 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.182 6.565 16.967 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.005 6.205 15.700 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.479 2.884 16.754 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.048 4.132 15.581 1.00 0.00 H new ATOM 460 N GLN A 27 -5.795 3.356 23.757 1.00 0.00 N ATOM 461 CA GLN A 27 -4.764 2.885 24.689 1.00 0.00 C ATOM 462 C GLN A 27 -3.597 2.250 23.940 1.00 0.00 C ATOM 463 O GLN A 27 -2.800 1.518 24.527 1.00 0.00 O ATOM 464 CB GLN A 27 -5.341 1.873 25.690 1.00 0.00 C ATOM 465 CG GLN A 27 -6.507 2.398 26.509 1.00 0.00 C ATOM 466 CD GLN A 27 -7.046 1.366 27.480 1.00 0.00 C ATOM 467 OE1 GLN A 27 -6.172 0.505 27.984 1.00 0.00 O flip ATOM 468 NE2 GLN A 27 -8.241 1.344 27.780 1.00 0.00 N flip ATOM 0 H GLN A 27 -5.909 4.370 23.747 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.403 3.755 25.237 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.665 0.986 25.146 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.548 1.559 26.369 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.189 3.282 27.062 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.306 2.713 25.838 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.882 2.024 27.371 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.589 0.646 28.438 1.00 0.00 H new ATOM 477 N SER A 28 -3.483 2.548 22.656 1.00 0.00 N ATOM 478 CA SER A 28 -2.479 1.911 21.828 1.00 0.00 C ATOM 479 C SER A 28 -1.966 2.856 20.746 1.00 0.00 C ATOM 480 O SER A 28 -2.668 3.776 20.319 1.00 0.00 O ATOM 481 CB SER A 28 -3.064 0.646 21.196 1.00 0.00 C ATOM 482 OG SER A 28 -4.254 0.938 20.482 1.00 0.00 O ATOM 0 H SER A 28 -4.071 3.224 22.169 1.00 0.00 H new ATOM 0 HA SER A 28 -1.632 1.644 22.460 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.332 0.200 20.523 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.273 -0.090 21.973 1.00 0.00 H new ATOM 0 HG SER A 28 -4.990 1.073 21.115 1.00 0.00 H new ATOM 488 N THR A 29 -0.731 2.631 20.336 1.00 0.00 N ATOM 489 CA THR A 29 -0.138 3.350 19.222 1.00 0.00 C ATOM 490 C THR A 29 0.804 2.405 18.477 1.00 0.00 C ATOM 491 O THR A 29 1.715 2.824 17.762 1.00 0.00 O ATOM 492 CB THR A 29 0.622 4.613 19.705 1.00 0.00 C ATOM 493 OG1 THR A 29 1.099 5.371 18.585 1.00 0.00 O ATOM 494 CG2 THR A 29 1.793 4.243 20.607 1.00 0.00 C ATOM 0 H THR A 29 -0.110 1.945 20.766 1.00 0.00 H new ATOM 0 HA THR A 29 -0.929 3.689 18.553 1.00 0.00 H new ATOM 0 HB THR A 29 -0.079 5.219 20.279 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.447 4.761 17.902 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.305 5.150 20.929 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.424 3.705 21.480 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.489 3.609 20.058 1.00 0.00 H new ATOM 502 N TRP A 30 0.539 1.113 18.632 1.00 0.00 N ATOM 503 CA TRP A 30 1.418 0.074 18.119 1.00 0.00 C ATOM 504 C TRP A 30 0.666 -0.903 17.221 1.00 0.00 C ATOM 505 O TRP A 30 1.192 -1.962 16.868 1.00 0.00 O ATOM 506 CB TRP A 30 2.089 -0.671 19.280 1.00 0.00 C ATOM 507 CG TRP A 30 1.206 -0.842 20.485 1.00 0.00 C ATOM 508 CD1 TRP A 30 0.211 -1.760 20.659 1.00 0.00 C ATOM 509 CD2 TRP A 30 1.257 -0.074 21.693 1.00 0.00 C ATOM 510 NE1 TRP A 30 -0.365 -1.599 21.898 1.00 0.00 N ATOM 511 CE2 TRP A 30 0.258 -0.573 22.548 1.00 0.00 C ATOM 512 CE3 TRP A 30 2.046 0.991 22.130 1.00 0.00 C ATOM 513 CZ2 TRP A 30 0.032 -0.047 23.816 1.00 0.00 C ATOM 514 CZ3 TRP A 30 1.823 1.512 23.388 1.00 0.00 C ATOM 515 CH2 TRP A 30 0.819 0.994 24.218 1.00 0.00 C ATOM 0 H TRP A 30 -0.287 0.759 19.114 1.00 0.00 H new ATOM 0 HA TRP A 30 2.186 0.553 17.513 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.407 -1.654 18.933 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.988 -0.130 19.574 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.081 -2.503 19.932 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.134 -2.156 22.271 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.818 1.400 21.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.738 -0.447 24.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.432 2.332 23.739 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.665 1.427 25.195 1.00 0.00 H new ATOM 526 N GLU A 31 -0.565 -0.549 16.866 1.00 0.00 N ATOM 527 CA GLU A 31 -1.336 -1.318 15.898 1.00 0.00 C ATOM 528 C GLU A 31 -0.588 -1.386 14.569 1.00 0.00 C ATOM 529 O GLU A 31 -0.385 -0.375 13.892 1.00 0.00 O ATOM 530 CB GLU A 31 -2.743 -0.733 15.706 1.00 0.00 C ATOM 531 CG GLU A 31 -2.843 0.769 15.939 1.00 0.00 C ATOM 532 CD GLU A 31 -3.135 1.123 17.386 1.00 0.00 C ATOM 533 OE1 GLU A 31 -2.218 1.030 18.219 1.00 0.00 O ATOM 534 OE2 GLU A 31 -4.289 1.494 17.690 1.00 0.00 O ATOM 0 H GLU A 31 -1.050 0.268 17.236 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.457 -2.330 16.286 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.078 -0.953 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.428 -1.239 16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.909 1.242 15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.629 1.179 15.304 1.00 0.00 H new ATOM 541 N SER A 32 -0.201 -2.597 14.205 1.00 0.00 N ATOM 542 CA SER A 32 0.742 -2.833 13.122 1.00 0.00 C ATOM 543 C SER A 32 0.193 -2.472 11.738 1.00 0.00 C ATOM 544 O SER A 32 0.945 -2.472 10.766 1.00 0.00 O ATOM 545 CB SER A 32 1.163 -4.299 13.148 1.00 0.00 C ATOM 546 OG SER A 32 1.624 -4.669 14.442 1.00 0.00 O ATOM 0 H SER A 32 -0.534 -3.450 14.655 1.00 0.00 H new ATOM 0 HA SER A 32 1.595 -2.175 13.288 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.320 -4.929 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.951 -4.469 12.414 1.00 0.00 H new ATOM 0 HG SER A 32 1.887 -5.613 14.438 1.00 0.00 H new ATOM 552 N TYR A 33 -1.096 -2.149 11.640 1.00 0.00 N ATOM 553 CA TYR A 33 -1.695 -1.838 10.341 1.00 0.00 C ATOM 554 C TYR A 33 -1.070 -0.572 9.759 1.00 0.00 C ATOM 555 O TYR A 33 -0.950 -0.427 8.544 1.00 0.00 O ATOM 556 CB TYR A 33 -3.223 -1.689 10.448 1.00 0.00 C ATOM 557 CG TYR A 33 -3.702 -0.355 10.988 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.625 -0.055 12.342 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.239 0.604 10.134 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.071 1.162 12.828 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.686 1.821 10.613 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.599 2.096 11.960 1.00 0.00 C ATOM 563 OH TYR A 33 -5.048 3.308 12.439 1.00 0.00 O ATOM 0 H TYR A 33 -1.738 -2.096 12.431 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.491 -2.671 9.668 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.658 -1.841 9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.606 -2.482 11.090 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.211 -0.782 13.025 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.308 0.393 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.006 1.380 13.884 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.101 2.552 9.935 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.388 3.848 11.695 1.00 0.00 H new ATOM 573 N GLU A 34 -0.656 0.333 10.640 1.00 0.00 N ATOM 574 CA GLU A 34 0.003 1.560 10.221 1.00 0.00 C ATOM 575 C GLU A 34 1.477 1.290 9.947 1.00 0.00 C ATOM 576 O GLU A 34 2.034 1.761 8.950 1.00 0.00 O ATOM 577 CB GLU A 34 -0.164 2.642 11.299 1.00 0.00 C ATOM 578 CG GLU A 34 0.612 3.926 11.030 1.00 0.00 C ATOM 579 CD GLU A 34 1.827 4.077 11.928 1.00 0.00 C ATOM 580 OE1 GLU A 34 2.892 3.514 11.602 1.00 0.00 O ATOM 581 OE2 GLU A 34 1.722 4.768 12.963 1.00 0.00 O ATOM 0 H GLU A 34 -0.766 0.237 11.649 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.458 1.920 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.223 2.885 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.155 2.234 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.932 3.941 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.048 4.781 11.173 1.00 0.00 H new ATOM 588 N THR A 35 2.086 0.504 10.828 1.00 0.00 N ATOM 589 CA THR A 35 3.498 0.178 10.738 1.00 0.00 C ATOM 590 C THR A 35 3.832 -0.500 9.413 1.00 0.00 C ATOM 591 O THR A 35 4.656 -0.002 8.647 1.00 0.00 O ATOM 592 CB THR A 35 3.915 -0.743 11.900 1.00 0.00 C ATOM 593 OG1 THR A 35 3.356 -0.255 13.128 1.00 0.00 O ATOM 594 CG2 THR A 35 5.430 -0.818 12.022 1.00 0.00 C ATOM 0 H THR A 35 1.612 0.077 11.623 1.00 0.00 H new ATOM 0 HA THR A 35 4.051 1.115 10.798 1.00 0.00 H new ATOM 0 HB THR A 35 3.537 -1.745 11.695 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.622 -0.844 13.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.696 -1.475 12.850 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.850 -1.212 11.097 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.830 0.179 12.207 1.00 0.00 H new ATOM 602 N VAL A 36 3.168 -1.619 9.129 1.00 0.00 N ATOM 603 CA VAL A 36 3.464 -2.393 7.926 1.00 0.00 C ATOM 604 C VAL A 36 3.161 -1.590 6.668 1.00 0.00 C ATOM 605 O VAL A 36 3.825 -1.751 5.644 1.00 0.00 O ATOM 606 CB VAL A 36 2.682 -3.727 7.877 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.016 -4.585 9.083 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.181 -3.486 7.793 1.00 0.00 C ATOM 0 H VAL A 36 2.426 -2.008 9.711 1.00 0.00 H new ATOM 0 HA VAL A 36 4.529 -2.622 7.966 1.00 0.00 H new ATOM 0 HB VAL A 36 2.986 -4.259 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.457 -5.519 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.084 -4.802 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.747 -4.051 9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.660 -4.443 7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.853 -2.924 8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.954 -2.918 6.891 1.00 0.00 H new ATOM 618 N LEU A 37 2.172 -0.714 6.761 1.00 0.00 N ATOM 619 CA LEU A 37 1.750 0.077 5.623 1.00 0.00 C ATOM 620 C LEU A 37 2.870 1.011 5.181 1.00 0.00 C ATOM 621 O LEU A 37 3.425 0.859 4.092 1.00 0.00 O ATOM 622 CB LEU A 37 0.499 0.882 5.979 1.00 0.00 C ATOM 623 CG LEU A 37 -0.186 1.578 4.804 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.723 0.547 3.822 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.307 2.475 5.302 1.00 0.00 C ATOM 0 H LEU A 37 1.647 -0.535 7.617 1.00 0.00 H new ATOM 0 HA LEU A 37 1.514 -0.595 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.220 0.214 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.770 1.636 6.718 1.00 0.00 H new ATOM 0 HG LEU A 37 0.547 2.198 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.209 1.056 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.100 -0.060 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.446 -0.094 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.786 2.964 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.043 1.875 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.898 3.230 5.973 1.00 0.00 H new ATOM 637 N ARG A 38 3.238 1.943 6.048 1.00 0.00 N ATOM 638 CA ARG A 38 4.210 2.961 5.683 1.00 0.00 C ATOM 639 C ARG A 38 5.621 2.389 5.584 1.00 0.00 C ATOM 640 O ARG A 38 6.387 2.779 4.709 1.00 0.00 O ATOM 641 CB ARG A 38 4.171 4.147 6.656 1.00 0.00 C ATOM 642 CG ARG A 38 4.503 3.809 8.100 1.00 0.00 C ATOM 643 CD ARG A 38 4.531 5.066 8.952 1.00 0.00 C ATOM 644 NE ARG A 38 4.853 4.788 10.346 1.00 0.00 N ATOM 645 CZ ARG A 38 5.954 5.227 10.955 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.866 5.921 10.275 1.00 0.00 N ATOM 647 NH2 ARG A 38 6.142 4.976 12.245 1.00 0.00 N ATOM 0 H ARG A 38 2.881 2.015 7.001 1.00 0.00 H new ATOM 0 HA ARG A 38 3.932 3.325 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.871 4.906 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.176 4.591 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.764 3.112 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.470 3.309 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.265 5.761 8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.561 5.559 8.898 1.00 0.00 H new ATOM 0 HE ARG A 38 4.197 4.224 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.723 6.118 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.707 6.255 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.444 4.448 12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.984 5.311 12.712 1.00 0.00 H new ATOM 661 N LEU A 39 5.952 1.444 6.452 1.00 0.00 N ATOM 662 CA LEU A 39 7.302 0.899 6.497 1.00 0.00 C ATOM 663 C LEU A 39 7.622 0.095 5.237 1.00 0.00 C ATOM 664 O LEU A 39 8.741 0.150 4.726 1.00 0.00 O ATOM 665 CB LEU A 39 7.486 0.037 7.756 1.00 0.00 C ATOM 666 CG LEU A 39 8.882 -0.562 7.959 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.191 -0.689 9.443 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.988 -1.925 7.291 1.00 0.00 C ATOM 0 H LEU A 39 5.308 1.040 7.132 1.00 0.00 H new ATOM 0 HA LEU A 39 8.002 1.734 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.242 0.645 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.763 -0.778 7.723 1.00 0.00 H new ATOM 0 HG LEU A 39 9.608 0.108 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.186 -1.116 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.156 0.296 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.453 -1.339 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.987 -2.331 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.250 -2.601 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.803 -1.822 6.222 1.00 0.00 H new ATOM 680 N HIS A 40 6.644 -0.641 4.730 1.00 0.00 N ATOM 681 CA HIS A 40 6.889 -1.519 3.594 1.00 0.00 C ATOM 682 C HIS A 40 6.691 -0.812 2.255 1.00 0.00 C ATOM 683 O HIS A 40 7.600 -0.793 1.424 1.00 0.00 O ATOM 684 CB HIS A 40 6.007 -2.770 3.657 1.00 0.00 C ATOM 685 CG HIS A 40 6.392 -3.741 4.736 1.00 0.00 C ATOM 686 ND1 HIS A 40 7.630 -4.342 4.811 1.00 0.00 N ATOM 687 CD2 HIS A 40 5.682 -4.226 5.783 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.663 -5.155 5.850 1.00 0.00 C ATOM 689 NE2 HIS A 40 6.495 -5.102 6.458 1.00 0.00 N ATOM 0 H HIS A 40 5.686 -0.649 5.081 1.00 0.00 H new ATOM 0 HA HIS A 40 7.935 -1.817 3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.972 -2.464 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.048 -3.279 2.694 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.664 -3.971 6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.505 -5.761 6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.237 -5.626 7.294 1.00 0.00 H new ATOM 698 N VAL A 41 5.526 -0.220 2.034 1.00 0.00 N ATOM 699 CA VAL A 41 5.186 0.256 0.695 1.00 0.00 C ATOM 700 C VAL A 41 5.543 1.735 0.472 1.00 0.00 C ATOM 701 O VAL A 41 5.828 2.134 -0.656 1.00 0.00 O ATOM 702 CB VAL A 41 3.691 0.013 0.363 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.780 0.940 1.151 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.442 0.155 -1.130 1.00 0.00 C ATOM 0 H VAL A 41 4.812 -0.059 2.745 1.00 0.00 H new ATOM 0 HA VAL A 41 5.798 -0.332 0.011 1.00 0.00 H new ATOM 0 HB VAL A 41 3.452 -1.008 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.741 0.738 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.925 0.772 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.020 1.976 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.387 -0.019 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.715 1.161 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.046 -0.574 -1.670 1.00 0.00 H new ATOM 714 N ILE A 42 5.571 2.536 1.534 1.00 0.00 N ATOM 715 CA ILE A 42 5.783 3.982 1.392 1.00 0.00 C ATOM 716 C ILE A 42 7.192 4.354 0.873 1.00 0.00 C ATOM 717 O ILE A 42 7.301 5.208 -0.006 1.00 0.00 O ATOM 718 CB ILE A 42 5.453 4.746 2.709 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.012 5.278 2.676 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.423 5.895 2.952 1.00 0.00 C ATOM 721 CD1 ILE A 42 2.957 4.221 2.435 1.00 0.00 C ATOM 0 H ILE A 42 5.451 2.217 2.495 1.00 0.00 H new ATOM 0 HA ILE A 42 5.080 4.304 0.623 1.00 0.00 H new ATOM 0 HB ILE A 42 5.557 4.037 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.800 5.775 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.935 6.034 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.160 6.403 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.438 5.505 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.366 6.601 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.971 4.686 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.138 3.739 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.001 3.476 3.229 1.00 0.00 H new ATOM 733 N PRO A 43 8.290 3.740 1.369 1.00 0.00 N ATOM 734 CA PRO A 43 9.647 4.100 0.925 1.00 0.00 C ATOM 735 C PRO A 43 9.867 3.882 -0.574 1.00 0.00 C ATOM 736 O PRO A 43 10.716 4.531 -1.188 1.00 0.00 O ATOM 737 CB PRO A 43 10.559 3.171 1.735 1.00 0.00 C ATOM 738 CG PRO A 43 9.676 2.069 2.200 1.00 0.00 C ATOM 739 CD PRO A 43 8.326 2.691 2.401 1.00 0.00 C ATOM 0 HA PRO A 43 9.842 5.160 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.376 2.789 1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.010 3.697 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.632 1.265 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.049 1.633 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.523 1.966 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.218 3.106 3.403 1.00 0.00 H new ATOM 747 N THR A 44 9.109 2.968 -1.164 1.00 0.00 N ATOM 748 CA THR A 44 9.270 2.658 -2.573 1.00 0.00 C ATOM 749 C THR A 44 8.099 3.190 -3.417 1.00 0.00 C ATOM 750 O THR A 44 8.301 4.009 -4.315 1.00 0.00 O ATOM 751 CB THR A 44 9.483 1.137 -2.787 1.00 0.00 C ATOM 752 OG1 THR A 44 9.423 0.795 -4.179 1.00 0.00 O ATOM 753 CG2 THR A 44 8.468 0.315 -1.998 1.00 0.00 C ATOM 0 H THR A 44 8.382 2.433 -0.690 1.00 0.00 H new ATOM 0 HA THR A 44 10.166 3.172 -2.919 1.00 0.00 H new ATOM 0 HB THR A 44 10.479 0.897 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.562 -0.169 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.646 -0.746 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.572 0.532 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.460 0.572 -2.324 1.00 0.00 H new ATOM 761 N LEU A 45 6.875 2.768 -3.112 1.00 0.00 N ATOM 762 CA LEU A 45 5.714 3.154 -3.913 1.00 0.00 C ATOM 763 C LEU A 45 5.108 4.463 -3.417 1.00 0.00 C ATOM 764 O LEU A 45 4.212 5.020 -4.046 1.00 0.00 O ATOM 765 CB LEU A 45 4.649 2.048 -3.907 1.00 0.00 C ATOM 766 CG LEU A 45 4.827 0.942 -4.955 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.111 0.165 -4.724 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.631 0.002 -4.940 1.00 0.00 C ATOM 0 H LEU A 45 6.660 2.162 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 45 6.060 3.301 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.637 1.587 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.673 2.509 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 45 4.893 1.416 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.208 -0.611 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.963 0.842 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.085 -0.295 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.771 -0.778 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.539 -0.454 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.724 0.563 -5.166 1.00 0.00 H new ATOM 780 N GLY A 46 5.616 4.959 -2.296 1.00 0.00 N ATOM 781 CA GLY A 46 5.148 6.225 -1.758 1.00 0.00 C ATOM 782 C GLY A 46 5.564 7.401 -2.617 1.00 0.00 C ATOM 783 O GLY A 46 5.030 8.500 -2.483 1.00 0.00 O ATOM 0 H GLY A 46 6.347 4.506 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.061 6.203 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.541 6.357 -0.750 1.00 0.00 H new ATOM 787 N SER A 47 6.528 7.167 -3.496 1.00 0.00 N ATOM 788 CA SER A 47 6.991 8.193 -4.415 1.00 0.00 C ATOM 789 C SER A 47 6.286 8.056 -5.766 1.00 0.00 C ATOM 790 O SER A 47 6.643 8.719 -6.741 1.00 0.00 O ATOM 791 CB SER A 47 8.510 8.094 -4.583 1.00 0.00 C ATOM 792 OG SER A 47 9.166 8.223 -3.329 1.00 0.00 O ATOM 0 H SER A 47 7.006 6.271 -3.591 1.00 0.00 H new ATOM 0 HA SER A 47 6.749 9.173 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.769 7.137 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.857 8.873 -5.262 1.00 0.00 H new ATOM 0 HG SER A 47 10.135 8.155 -3.458 1.00 0.00 H new ATOM 798 N ILE A 48 5.280 7.192 -5.810 1.00 0.00 N ATOM 799 CA ILE A 48 4.508 6.971 -7.022 1.00 0.00 C ATOM 800 C ILE A 48 3.092 7.500 -6.837 1.00 0.00 C ATOM 801 O ILE A 48 2.389 7.083 -5.919 1.00 0.00 O ATOM 802 CB ILE A 48 4.445 5.470 -7.388 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.858 4.900 -7.542 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.641 5.262 -8.669 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.880 3.413 -7.808 1.00 0.00 C ATOM 0 H ILE A 48 4.980 6.630 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 48 5.004 7.503 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 48 3.943 4.938 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.362 5.415 -8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.426 5.108 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.608 4.199 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.626 5.633 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.114 5.805 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.912 3.076 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.404 2.888 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.340 3.200 -8.730 1.00 0.00 H new ATOM 817 N PRO A 49 2.665 8.446 -7.687 1.00 0.00 N ATOM 818 CA PRO A 49 1.314 9.011 -7.624 1.00 0.00 C ATOM 819 C PRO A 49 0.239 7.931 -7.738 1.00 0.00 C ATOM 820 O PRO A 49 0.316 7.062 -8.605 1.00 0.00 O ATOM 821 CB PRO A 49 1.260 9.952 -8.834 1.00 0.00 C ATOM 822 CG PRO A 49 2.682 10.278 -9.127 1.00 0.00 C ATOM 823 CD PRO A 49 3.462 9.044 -8.773 1.00 0.00 C ATOM 0 HA PRO A 49 1.122 9.512 -6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.781 9.472 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.686 10.851 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.816 10.538 -10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.016 11.134 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.556 8.369 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.473 9.286 -8.445 1.00 0.00 H new ATOM 831 N LEU A 50 -0.770 8.009 -6.873 1.00 0.00 N ATOM 832 CA LEU A 50 -1.834 7.002 -6.814 1.00 0.00 C ATOM 833 C LEU A 50 -2.514 6.801 -8.167 1.00 0.00 C ATOM 834 O LEU A 50 -2.986 5.710 -8.475 1.00 0.00 O ATOM 835 CB LEU A 50 -2.887 7.399 -5.775 1.00 0.00 C ATOM 836 CG LEU A 50 -2.403 7.433 -4.324 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.516 7.913 -3.408 1.00 0.00 C ATOM 838 CD2 LEU A 50 -1.906 6.060 -3.888 1.00 0.00 C ATOM 0 H LEU A 50 -0.876 8.765 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.364 6.061 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.273 8.385 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.722 6.701 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.570 8.133 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.157 7.932 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.824 8.916 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.367 7.236 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.567 6.108 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.717 5.336 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.078 5.753 -4.527 1.00 0.00 H new ATOM 850 N LYS A 51 -2.546 7.849 -8.981 1.00 0.00 N ATOM 851 CA LYS A 51 -3.241 7.790 -10.263 1.00 0.00 C ATOM 852 C LYS A 51 -2.420 7.002 -11.284 1.00 0.00 C ATOM 853 O LYS A 51 -2.936 6.571 -12.317 1.00 0.00 O ATOM 854 CB LYS A 51 -3.538 9.202 -10.792 1.00 0.00 C ATOM 855 CG LYS A 51 -4.066 10.173 -9.738 1.00 0.00 C ATOM 856 CD LYS A 51 -5.215 9.590 -8.919 1.00 0.00 C ATOM 857 CE LYS A 51 -6.447 9.289 -9.760 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.040 10.513 -10.361 1.00 0.00 N ATOM 0 H LYS A 51 -2.102 8.745 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.190 7.276 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.626 9.614 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.267 9.129 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.253 10.452 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.402 11.087 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.880 8.674 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.483 10.291 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.179 8.592 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.194 8.794 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.940 10.272 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.212 11.217 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.384 10.907 -11.065 1.00 0.00 H new ATOM 872 N LYS A 52 -1.140 6.806 -10.984 1.00 0.00 N ATOM 873 CA LYS A 52 -0.261 6.042 -11.856 1.00 0.00 C ATOM 874 C LYS A 52 0.088 4.705 -11.198 1.00 0.00 C ATOM 875 O LYS A 52 0.798 3.877 -11.771 1.00 0.00 O ATOM 876 CB LYS A 52 1.013 6.839 -12.168 1.00 0.00 C ATOM 877 CG LYS A 52 1.891 6.197 -13.232 1.00 0.00 C ATOM 878 CD LYS A 52 3.157 6.996 -13.480 1.00 0.00 C ATOM 879 CE LYS A 52 4.021 6.329 -14.534 1.00 0.00 C ATOM 880 NZ LYS A 52 5.248 7.111 -14.831 1.00 0.00 N ATOM 0 H LYS A 52 -0.690 7.167 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.778 5.848 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.733 7.840 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.593 6.954 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.155 5.186 -12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.329 6.110 -14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.898 8.005 -13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.719 7.092 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.301 5.332 -14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.442 6.203 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.807 6.618 -15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.983 8.054 -15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.815 7.210 -13.965 1.00 0.00 H new ATOM 894 N LEU A 53 -0.426 4.502 -9.993 1.00 0.00 N ATOM 895 CA LEU A 53 -0.193 3.271 -9.255 1.00 0.00 C ATOM 896 C LEU A 53 -0.934 2.123 -9.932 1.00 0.00 C ATOM 897 O LEU A 53 -2.165 2.133 -10.032 1.00 0.00 O ATOM 898 CB LEU A 53 -0.645 3.447 -7.793 1.00 0.00 C ATOM 899 CG LEU A 53 -0.276 2.319 -6.814 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.222 1.136 -6.949 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.163 1.871 -7.024 1.00 0.00 C ATOM 0 H LEU A 53 -1.011 5.180 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 53 0.871 3.035 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.221 4.377 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.729 3.564 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.374 2.716 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.933 0.357 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.241 1.459 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.171 0.743 -7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.402 1.073 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.285 1.505 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.834 2.714 -6.858 1.00 0.00 H new ATOM 913 N GLN A 54 -0.181 1.150 -10.417 1.00 0.00 N ATOM 914 CA GLN A 54 -0.760 0.016 -11.114 1.00 0.00 C ATOM 915 C GLN A 54 -0.707 -1.235 -10.245 1.00 0.00 C ATOM 916 O GLN A 54 0.156 -1.360 -9.377 1.00 0.00 O ATOM 917 CB GLN A 54 -0.013 -0.232 -12.425 1.00 0.00 C ATOM 918 CG GLN A 54 -0.092 0.925 -13.406 1.00 0.00 C ATOM 919 CD GLN A 54 0.653 0.639 -14.692 1.00 0.00 C ATOM 920 OE1 GLN A 54 0.086 0.090 -15.639 1.00 0.00 O ATOM 921 NE2 GLN A 54 1.920 1.012 -14.744 1.00 0.00 N ATOM 0 H GLN A 54 0.836 1.124 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.803 0.244 -11.332 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.034 -0.436 -12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.418 -1.126 -12.899 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.137 1.135 -13.633 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.320 1.821 -12.942 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.352 1.464 -13.938 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.466 0.848 -15.590 1.00 0.00 H new ATOM 930 N PRO A 55 -1.648 -2.171 -10.460 1.00 0.00 N ATOM 931 CA PRO A 55 -1.651 -3.467 -9.771 1.00 0.00 C ATOM 932 C PRO A 55 -0.335 -4.219 -9.955 1.00 0.00 C ATOM 933 O PRO A 55 0.122 -4.926 -9.055 1.00 0.00 O ATOM 934 CB PRO A 55 -2.795 -4.227 -10.446 1.00 0.00 C ATOM 935 CG PRO A 55 -3.692 -3.168 -10.990 1.00 0.00 C ATOM 936 CD PRO A 55 -2.797 -2.027 -11.375 1.00 0.00 C ATOM 0 HA PRO A 55 -1.773 -3.356 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.424 -4.876 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.321 -4.863 -9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.250 -3.534 -11.852 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.424 -2.856 -10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.490 -2.091 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.294 -1.065 -11.248 1.00 0.00 H new ATOM 944 N ALA A 56 0.270 -4.058 -11.130 1.00 0.00 N ATOM 945 CA ALA A 56 1.555 -4.675 -11.428 1.00 0.00 C ATOM 946 C ALA A 56 2.638 -4.180 -10.475 1.00 0.00 C ATOM 947 O ALA A 56 3.532 -4.937 -10.100 1.00 0.00 O ATOM 948 CB ALA A 56 1.955 -4.395 -12.868 1.00 0.00 C ATOM 0 H ALA A 56 -0.114 -3.501 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 56 1.450 -5.751 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.917 -4.863 -13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.201 -4.803 -13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.034 -3.319 -13.021 1.00 0.00 H new ATOM 954 N ASP A 57 2.548 -2.915 -10.077 1.00 0.00 N ATOM 955 CA ASP A 57 3.517 -2.333 -9.153 1.00 0.00 C ATOM 956 C ASP A 57 3.339 -2.913 -7.762 1.00 0.00 C ATOM 957 O ASP A 57 4.313 -3.162 -7.059 1.00 0.00 O ATOM 958 CB ASP A 57 3.390 -0.811 -9.098 1.00 0.00 C ATOM 959 CG ASP A 57 3.849 -0.145 -10.375 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.066 -0.196 -10.674 1.00 0.00 O ATOM 961 OD2 ASP A 57 3.001 0.436 -11.082 1.00 0.00 O ATOM 0 H ASP A 57 1.815 -2.273 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 57 4.513 -2.581 -9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.351 -0.543 -8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.977 -0.431 -8.262 1.00 0.00 H new ATOM 966 N ILE A 58 2.091 -3.131 -7.372 1.00 0.00 N ATOM 967 CA ILE A 58 1.792 -3.760 -6.092 1.00 0.00 C ATOM 968 C ILE A 58 2.309 -5.195 -6.081 1.00 0.00 C ATOM 969 O ILE A 58 2.903 -5.648 -5.101 1.00 0.00 O ATOM 970 CB ILE A 58 0.276 -3.749 -5.797 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.243 -2.309 -5.744 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.025 -4.473 -4.489 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.726 -2.209 -5.466 1.00 0.00 C ATOM 0 H ILE A 58 1.269 -2.882 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 58 2.293 -3.185 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.236 -4.276 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.300 -1.764 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.026 -1.818 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.098 -4.453 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.312 -5.507 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.496 -3.977 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.022 -1.160 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.279 -2.725 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.948 -2.670 -4.503 1.00 0.00 H new ATOM 985 N GLN A 59 2.097 -5.898 -7.187 1.00 0.00 N ATOM 986 CA GLN A 59 2.605 -7.252 -7.349 1.00 0.00 C ATOM 987 C GLN A 59 4.132 -7.245 -7.312 1.00 0.00 C ATOM 988 O GLN A 59 4.757 -8.110 -6.696 1.00 0.00 O ATOM 989 CB GLN A 59 2.103 -7.836 -8.670 1.00 0.00 C ATOM 990 CG GLN A 59 2.571 -9.256 -8.940 1.00 0.00 C ATOM 991 CD GLN A 59 2.007 -9.807 -10.235 1.00 0.00 C ATOM 992 OE1 GLN A 59 0.910 -9.433 -10.653 1.00 0.00 O ATOM 993 NE2 GLN A 59 2.747 -10.693 -10.881 1.00 0.00 N ATOM 0 H GLN A 59 1.573 -5.548 -7.989 1.00 0.00 H new ATOM 0 HA GLN A 59 2.243 -7.874 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.013 -7.818 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.434 -7.195 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.660 -9.276 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.272 -9.899 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.650 -10.977 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.414 -11.092 -11.759 1.00 0.00 H new ATOM 1002 N ARG A 60 4.719 -6.251 -7.970 1.00 0.00 N ATOM 1003 CA ARG A 60 6.164 -6.071 -7.970 1.00 0.00 C ATOM 1004 C ARG A 60 6.672 -5.786 -6.561 1.00 0.00 C ATOM 1005 O ARG A 60 7.728 -6.274 -6.169 1.00 0.00 O ATOM 1006 CB ARG A 60 6.556 -4.931 -8.911 1.00 0.00 C ATOM 1007 CG ARG A 60 8.046 -4.630 -8.920 1.00 0.00 C ATOM 1008 CD ARG A 60 8.380 -3.500 -9.877 1.00 0.00 C ATOM 1009 NE ARG A 60 9.808 -3.196 -9.887 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.525 -3.040 -10.996 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.962 -3.206 -12.189 1.00 0.00 N ATOM 1012 NH2 ARG A 60 11.811 -2.730 -10.912 1.00 0.00 N ATOM 0 H ARG A 60 4.211 -5.554 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 60 6.624 -6.994 -8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.239 -5.182 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.014 -4.030 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.370 -4.364 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.597 -5.526 -9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.060 -3.770 -10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.821 -2.608 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 60 10.284 -3.097 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.975 -3.454 -12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.517 -3.085 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.248 -2.612 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.363 -2.610 -11.761 1.00 0.00 H new ATOM 1026 N LEU A 61 5.912 -4.992 -5.811 1.00 0.00 N ATOM 1027 CA LEU A 61 6.239 -4.680 -4.422 1.00 0.00 C ATOM 1028 C LEU A 61 6.453 -5.969 -3.636 1.00 0.00 C ATOM 1029 O LEU A 61 7.440 -6.110 -2.909 1.00 0.00 O ATOM 1030 CB LEU A 61 5.113 -3.827 -3.801 1.00 0.00 C ATOM 1031 CG LEU A 61 5.358 -3.267 -2.388 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.108 -4.319 -1.317 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.770 -2.720 -2.269 1.00 0.00 C ATOM 0 H LEU A 61 5.057 -4.549 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 61 7.164 -4.104 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.916 -2.988 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.206 -4.431 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 61 4.649 -2.454 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.291 -3.887 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.075 -4.661 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.779 -5.164 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.925 -2.328 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.487 -3.518 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.913 -1.920 -2.996 1.00 0.00 H new ATOM 1045 N TYR A 62 5.540 -6.917 -3.807 1.00 0.00 N ATOM 1046 CA TYR A 62 5.645 -8.200 -3.129 1.00 0.00 C ATOM 1047 C TYR A 62 6.876 -8.956 -3.611 1.00 0.00 C ATOM 1048 O TYR A 62 7.677 -9.419 -2.806 1.00 0.00 O ATOM 1049 CB TYR A 62 4.392 -9.048 -3.363 1.00 0.00 C ATOM 1050 CG TYR A 62 3.112 -8.392 -2.891 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.021 -7.825 -1.625 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.996 -8.335 -3.716 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.854 -7.226 -1.194 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.826 -7.735 -3.293 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.761 -7.181 -2.032 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.402 -6.581 -1.608 1.00 0.00 O ATOM 0 H TYR A 62 4.721 -6.821 -4.408 1.00 0.00 H new ATOM 0 HA TYR A 62 5.739 -8.007 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.306 -9.266 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.510 -10.003 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.877 -7.854 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.044 -8.767 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.798 -6.795 -0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.033 -7.700 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.986 -6.419 -2.378 1.00 0.00 H new ATOM 1066 N ALA A 63 7.030 -9.050 -4.927 1.00 0.00 N ATOM 1067 CA ALA A 63 8.134 -9.798 -5.526 1.00 0.00 C ATOM 1068 C ALA A 63 9.493 -9.225 -5.127 1.00 0.00 C ATOM 1069 O ALA A 63 10.394 -9.961 -4.718 1.00 0.00 O ATOM 1070 CB ALA A 63 7.999 -9.808 -7.042 1.00 0.00 C ATOM 0 H ALA A 63 6.402 -8.616 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 63 8.081 -10.819 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.827 -10.368 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.056 -10.279 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.017 -8.784 -7.416 1.00 0.00 H new ATOM 1076 N SER A 64 9.629 -7.912 -5.236 1.00 0.00 N ATOM 1077 CA SER A 64 10.889 -7.241 -4.949 1.00 0.00 C ATOM 1078 C SER A 64 11.281 -7.389 -3.478 1.00 0.00 C ATOM 1079 O SER A 64 12.459 -7.560 -3.159 1.00 0.00 O ATOM 1080 CB SER A 64 10.792 -5.765 -5.337 1.00 0.00 C ATOM 1081 OG SER A 64 10.554 -5.619 -6.729 1.00 0.00 O ATOM 0 H SER A 64 8.877 -7.286 -5.523 1.00 0.00 H new ATOM 0 HA SER A 64 11.671 -7.715 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.988 -5.290 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.715 -5.253 -5.067 1.00 0.00 H new ATOM 0 HG SER A 64 9.614 -5.819 -6.923 1.00 0.00 H new ATOM 1087 N LYS A 65 10.299 -7.335 -2.583 1.00 0.00 N ATOM 1088 CA LYS A 65 10.572 -7.483 -1.159 1.00 0.00 C ATOM 1089 C LYS A 65 10.716 -8.952 -0.780 1.00 0.00 C ATOM 1090 O LYS A 65 11.454 -9.290 0.145 1.00 0.00 O ATOM 1091 CB LYS A 65 9.484 -6.812 -0.315 1.00 0.00 C ATOM 1092 CG LYS A 65 9.770 -5.343 -0.006 1.00 0.00 C ATOM 1093 CD LYS A 65 9.878 -4.503 -1.272 1.00 0.00 C ATOM 1094 CE LYS A 65 10.388 -3.100 -0.975 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.779 -3.116 -0.447 1.00 0.00 N ATOM 0 H LYS A 65 9.316 -7.191 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 65 11.518 -6.983 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.531 -6.886 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.375 -7.357 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.977 -4.945 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.698 -5.266 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.550 -4.993 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.901 -4.441 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.352 -2.500 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.730 -2.620 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.204 -2.173 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.765 -3.372 0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.342 -3.814 -0.974 1.00 0.00 H new ATOM 1109 N LEU A 66 10.027 -9.820 -1.508 1.00 0.00 N ATOM 1110 CA LEU A 66 10.160 -11.259 -1.317 1.00 0.00 C ATOM 1111 C LEU A 66 11.599 -11.687 -1.585 1.00 0.00 C ATOM 1112 O LEU A 66 12.142 -12.549 -0.897 1.00 0.00 O ATOM 1113 CB LEU A 66 9.199 -12.007 -2.248 1.00 0.00 C ATOM 1114 CG LEU A 66 9.195 -13.531 -2.117 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.728 -13.958 -0.732 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.312 -14.152 -3.185 1.00 0.00 C ATOM 0 H LEU A 66 9.368 -9.552 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 66 9.906 -11.505 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.188 -11.643 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.448 -11.751 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 66 10.216 -13.885 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.734 -15.046 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.398 -13.544 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.717 -13.590 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.320 -15.237 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.292 -13.784 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.689 -13.882 -4.171 1.00 0.00 H new ATOM 1128 N GLU A 67 12.215 -11.050 -2.572 1.00 0.00 N ATOM 1129 CA GLU A 67 13.599 -11.330 -2.925 1.00 0.00 C ATOM 1130 C GLU A 67 14.538 -10.864 -1.813 1.00 0.00 C ATOM 1131 O GLU A 67 15.600 -11.447 -1.592 1.00 0.00 O ATOM 1132 CB GLU A 67 13.951 -10.630 -4.240 1.00 0.00 C ATOM 1133 CG GLU A 67 15.100 -11.285 -4.980 1.00 0.00 C ATOM 1134 CD GLU A 67 14.761 -12.692 -5.430 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.200 -12.848 -6.536 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.044 -13.649 -4.678 1.00 0.00 O ATOM 0 H GLU A 67 11.774 -10.331 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 67 13.719 -12.406 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.072 -10.620 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.207 -9.591 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.363 -10.681 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.977 -11.313 -4.334 1.00 0.00 H new ATOM 1143 N SER A 68 14.124 -9.823 -1.099 1.00 0.00 N ATOM 1144 CA SER A 68 14.914 -9.275 -0.004 1.00 0.00 C ATOM 1145 C SER A 68 14.831 -10.169 1.234 1.00 0.00 C ATOM 1146 O SER A 68 15.580 -9.988 2.198 1.00 0.00 O ATOM 1147 CB SER A 68 14.435 -7.864 0.332 1.00 0.00 C ATOM 1148 OG SER A 68 14.448 -7.040 -0.822 1.00 0.00 O ATOM 0 H SER A 68 13.240 -9.340 -1.261 1.00 0.00 H new ATOM 0 HA SER A 68 15.956 -9.233 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.426 -7.906 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.075 -7.431 1.101 1.00 0.00 H new ATOM 0 HG SER A 68 13.751 -7.337 -1.444 1.00 0.00 H new ATOM 1154 N GLY A 69 13.921 -11.134 1.200 1.00 0.00 N ATOM 1155 CA GLY A 69 13.769 -12.047 2.314 1.00 0.00 C ATOM 1156 C GLY A 69 12.539 -11.747 3.143 1.00 0.00 C ATOM 1157 O GLY A 69 12.610 -11.660 4.368 1.00 0.00 O ATOM 0 H GLY A 69 13.285 -11.300 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.710 -13.068 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.654 -11.992 2.948 1.00 0.00 H new ATOM 1161 N LEU A 70 11.412 -11.573 2.473 1.00 0.00 N ATOM 1162 CA LEU A 70 10.151 -11.337 3.155 1.00 0.00 C ATOM 1163 C LEU A 70 9.396 -12.652 3.295 1.00 0.00 C ATOM 1164 O LEU A 70 9.397 -13.472 2.381 1.00 0.00 O ATOM 1165 CB LEU A 70 9.309 -10.316 2.383 1.00 0.00 C ATOM 1166 CG LEU A 70 8.037 -9.840 3.089 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.380 -9.160 4.404 1.00 0.00 C ATOM 1168 CD2 LEU A 70 7.253 -8.896 2.192 1.00 0.00 C ATOM 0 H LEU A 70 11.345 -11.591 1.455 1.00 0.00 H new ATOM 0 HA LEU A 70 10.351 -10.932 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.931 -9.447 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.029 -10.753 1.424 1.00 0.00 H new ATOM 0 HG LEU A 70 7.416 -10.710 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.464 -8.828 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.902 -9.864 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.021 -8.299 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.352 -8.567 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.868 -8.030 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.976 -9.413 1.273 1.00 0.00 H new ATOM 1180 N SER A 71 8.767 -12.858 4.440 1.00 0.00 N ATOM 1181 CA SER A 71 8.033 -14.088 4.688 1.00 0.00 C ATOM 1182 C SER A 71 6.725 -14.109 3.896 1.00 0.00 C ATOM 1183 O SER A 71 5.989 -13.122 3.880 1.00 0.00 O ATOM 1184 CB SER A 71 7.762 -14.236 6.183 1.00 0.00 C ATOM 1185 OG SER A 71 8.977 -14.198 6.915 1.00 0.00 O ATOM 0 H SER A 71 8.750 -12.191 5.211 1.00 0.00 H new ATOM 0 HA SER A 71 8.638 -14.931 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.103 -13.436 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.245 -15.177 6.373 1.00 0.00 H new ATOM 0 HG SER A 71 8.806 -14.450 7.846 1.00 0.00 H new ATOM 1191 N PRO A 72 6.424 -15.240 3.231 1.00 0.00 N ATOM 1192 CA PRO A 72 5.224 -15.388 2.388 1.00 0.00 C ATOM 1193 C PRO A 72 3.930 -15.058 3.131 1.00 0.00 C ATOM 1194 O PRO A 72 3.008 -14.474 2.561 1.00 0.00 O ATOM 1195 CB PRO A 72 5.246 -16.866 1.987 1.00 0.00 C ATOM 1196 CG PRO A 72 6.675 -17.269 2.096 1.00 0.00 C ATOM 1197 CD PRO A 72 7.242 -16.471 3.236 1.00 0.00 C ATOM 0 HA PRO A 72 5.243 -14.700 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.615 -17.464 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.872 -17.006 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.766 -18.339 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.211 -17.062 1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.158 -17.006 4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.299 -16.252 3.087 1.00 0.00 H new ATOM 1205 N THR A 73 3.866 -15.430 4.403 1.00 0.00 N ATOM 1206 CA THR A 73 2.696 -15.144 5.225 1.00 0.00 C ATOM 1207 C THR A 73 2.531 -13.639 5.414 1.00 0.00 C ATOM 1208 O THR A 73 1.424 -13.106 5.351 1.00 0.00 O ATOM 1209 CB THR A 73 2.831 -15.808 6.603 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.553 -17.042 6.471 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.464 -16.083 7.211 1.00 0.00 C ATOM 0 H THR A 73 4.610 -15.931 4.888 1.00 0.00 H new ATOM 0 HA THR A 73 1.821 -15.544 4.713 1.00 0.00 H new ATOM 0 HB THR A 73 3.372 -15.129 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.641 -17.465 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.588 -16.553 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.922 -15.145 7.327 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.902 -16.748 6.556 1.00 0.00 H new ATOM 1219 N ARG A 74 3.657 -12.965 5.612 1.00 0.00 N ATOM 1220 CA ARG A 74 3.675 -11.526 5.829 1.00 0.00 C ATOM 1221 C ARG A 74 3.225 -10.807 4.563 1.00 0.00 C ATOM 1222 O ARG A 74 2.563 -9.773 4.625 1.00 0.00 O ATOM 1223 CB ARG A 74 5.089 -11.095 6.222 1.00 0.00 C ATOM 1224 CG ARG A 74 5.151 -9.820 7.052 1.00 0.00 C ATOM 1225 CD ARG A 74 6.555 -9.591 7.593 1.00 0.00 C ATOM 1226 NE ARG A 74 7.078 -10.788 8.253 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.371 -11.015 8.489 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.281 -10.100 8.179 1.00 0.00 N ATOM 1229 NH2 ARG A 74 8.751 -12.154 9.055 1.00 0.00 N ATOM 0 H ARG A 74 4.580 -13.400 5.626 1.00 0.00 H new ATOM 0 HA ARG A 74 2.988 -11.264 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.559 -11.903 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.677 -10.953 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.849 -8.969 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.444 -9.885 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.218 -9.305 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.543 -8.761 8.299 1.00 0.00 H new ATOM 0 HE ARG A 74 6.408 -11.497 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.993 -9.217 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.268 -10.280 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.054 -12.855 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.740 -12.329 9.236 1.00 0.00 H new ATOM 1243 N VAL A 75 3.579 -11.380 3.414 1.00 0.00 N ATOM 1244 CA VAL A 75 3.142 -10.866 2.121 1.00 0.00 C ATOM 1245 C VAL A 75 1.617 -10.883 2.035 1.00 0.00 C ATOM 1246 O VAL A 75 1.000 -9.938 1.542 1.00 0.00 O ATOM 1247 CB VAL A 75 3.727 -11.699 0.959 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.241 -11.185 -0.386 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.246 -11.706 1.007 1.00 0.00 C ATOM 0 H VAL A 75 4.172 -12.207 3.355 1.00 0.00 H new ATOM 0 HA VAL A 75 3.505 -9.842 2.032 1.00 0.00 H new ATOM 0 HB VAL A 75 3.374 -12.723 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.670 -11.791 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.154 -11.247 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.551 -10.148 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.633 -12.299 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.617 -10.684 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.578 -12.140 1.950 1.00 0.00 H new ATOM 1259 N ARG A 76 1.019 -11.962 2.535 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.432 -12.099 2.551 1.00 0.00 C ATOM 1261 C ARG A 76 -1.061 -11.023 3.427 1.00 0.00 C ATOM 1262 O ARG A 76 -2.081 -10.434 3.065 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.836 -13.486 3.056 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.394 -14.625 2.149 1.00 0.00 C ATOM 1265 CD ARG A 76 -0.856 -15.971 2.686 1.00 0.00 C ATOM 1266 NE ARG A 76 -0.531 -17.073 1.782 1.00 0.00 N ATOM 1267 CZ ARG A 76 -1.295 -18.157 1.633 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.420 -18.277 2.334 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.936 -19.114 0.786 1.00 0.00 N ATOM 0 H ARG A 76 1.520 -12.755 2.935 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.796 -11.978 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.411 -13.639 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.920 -13.521 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.797 -14.473 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.692 -14.620 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.392 -16.151 3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.933 -15.944 2.849 1.00 0.00 H new ATOM 0 HE ARG A 76 0.327 -17.010 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.697 -17.541 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.005 -19.105 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.075 -19.022 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.521 -19.942 0.674 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.444 -10.761 4.576 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.931 -9.725 5.477 1.00 0.00 C ATOM 1285 C TYR A 77 -0.868 -8.350 4.814 1.00 0.00 C ATOM 1286 O TYR A 77 -1.836 -7.590 4.858 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.143 -9.715 6.786 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.551 -8.591 7.714 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.829 -8.543 8.257 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.336 -7.573 8.036 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.212 -7.511 9.093 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.039 -6.538 8.869 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.312 -6.512 9.396 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.686 -5.477 10.224 1.00 0.00 O ATOM 0 H TYR A 77 0.390 -11.250 4.902 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.972 -9.953 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.284 -10.668 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.920 -9.627 6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.535 -9.325 8.022 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.336 -7.591 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.210 -7.488 9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.662 -5.752 9.107 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.934 -4.859 10.336 1.00 0.00 H new ATOM 1304 N ILE A 78 0.266 -8.035 4.198 1.00 0.00 N ATOM 1305 CA ILE A 78 0.418 -6.775 3.478 1.00 0.00 C ATOM 1306 C ILE A 78 -0.648 -6.648 2.389 1.00 0.00 C ATOM 1307 O ILE A 78 -1.166 -5.562 2.133 1.00 0.00 O ATOM 1308 CB ILE A 78 1.819 -6.650 2.838 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.906 -6.776 3.907 1.00 0.00 C ATOM 1310 CG2 ILE A 78 1.954 -5.323 2.106 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.312 -6.768 3.347 1.00 0.00 C ATOM 0 H ILE A 78 1.092 -8.633 4.182 1.00 0.00 H new ATOM 0 HA ILE A 78 0.297 -5.972 4.205 1.00 0.00 H new ATOM 0 HB ILE A 78 1.941 -7.459 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.802 -5.955 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.751 -7.700 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.947 -5.252 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.200 -5.262 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.812 -4.503 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.029 -6.861 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.434 -7.605 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.487 -5.833 2.815 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.990 -7.775 1.774 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.990 -7.795 0.712 1.00 0.00 C ATOM 1325 C HIS A 79 -3.376 -7.434 1.249 1.00 0.00 C ATOM 1326 O HIS A 79 -4.124 -6.693 0.607 1.00 0.00 O ATOM 1327 CB HIS A 79 -2.029 -9.172 0.037 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.877 -9.216 -1.197 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.164 -9.708 -1.210 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.606 -8.841 -2.468 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.646 -9.637 -2.437 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.721 -9.113 -3.217 1.00 0.00 N ATOM 0 H HIS A 79 -0.589 -8.687 1.993 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.705 -7.046 -0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.012 -9.469 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.404 -9.906 0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.683 -8.408 -2.826 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.630 -9.954 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.819 -8.938 -4.217 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.716 -7.945 2.429 1.00 0.00 N ATOM 1342 CA VAL A 80 -5.047 -7.728 2.985 1.00 0.00 C ATOM 1343 C VAL A 80 -5.165 -6.347 3.634 1.00 0.00 C ATOM 1344 O VAL A 80 -6.204 -5.695 3.525 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.452 -8.838 3.991 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -4.574 -8.832 5.231 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -6.920 -8.706 4.371 1.00 0.00 C ATOM 0 H VAL A 80 -3.096 -8.506 3.013 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.743 -7.774 2.147 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.303 -9.797 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.894 -9.625 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.536 -8.997 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.662 -7.869 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.185 -9.493 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.091 -7.733 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.537 -8.798 3.477 1.00 0.00 H new ATOM 1357 N VAL A 81 -4.097 -5.885 4.280 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.120 -4.576 4.922 1.00 0.00 C ATOM 1359 C VAL A 81 -4.159 -3.463 3.873 1.00 0.00 C ATOM 1360 O VAL A 81 -4.823 -2.442 4.061 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.918 -4.375 5.884 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.593 -4.409 5.137 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.059 -3.077 6.664 1.00 0.00 C ATOM 0 H VAL A 81 -3.216 -6.391 4.372 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.028 -4.528 5.523 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.923 -5.205 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.774 -4.265 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.480 -5.373 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.575 -3.613 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.205 -2.959 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.096 -2.238 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.977 -3.103 7.251 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.475 -3.685 2.753 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.477 -2.729 1.655 1.00 0.00 C ATOM 1375 C LEU A 82 -4.848 -2.703 0.991 1.00 0.00 C ATOM 1376 O LEU A 82 -5.321 -1.652 0.554 1.00 0.00 O ATOM 1377 CB LEU A 82 -2.399 -3.090 0.629 1.00 0.00 C ATOM 1378 CG LEU A 82 -2.171 -2.052 -0.470 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.683 -0.742 0.130 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -1.177 -2.576 -1.492 1.00 0.00 C ATOM 0 H LEU A 82 -2.913 -4.519 2.585 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.257 -1.738 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.458 -3.250 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.668 -4.037 0.162 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.119 -1.865 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.525 -0.014 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.429 -0.361 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.745 -0.911 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.024 -1.827 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.227 -2.788 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.565 -3.490 -1.941 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.484 -3.871 0.934 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.837 -3.992 0.397 1.00 0.00 C ATOM 1394 C HIS A 83 -7.794 -3.121 1.198 1.00 0.00 C ATOM 1395 O HIS A 83 -8.672 -2.475 0.631 1.00 0.00 O ATOM 1396 CB HIS A 83 -7.288 -5.458 0.427 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.646 -5.706 -0.175 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.854 -5.845 -1.530 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.862 -5.866 0.406 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.136 -6.080 -1.755 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.768 -6.098 -0.599 1.00 0.00 N ATOM 0 H HIS A 83 -5.081 -4.751 1.255 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.841 -3.651 -0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.553 -6.062 -0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.295 -5.802 1.461 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.132 -5.777 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.077 -5.819 1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.589 -6.232 -2.724 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.609 -3.104 2.512 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.415 -2.267 3.386 1.00 0.00 C ATOM 1412 C GLU A 84 -8.135 -0.792 3.119 1.00 0.00 C ATOM 1413 O GLU A 84 -9.034 -0.047 2.743 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.131 -2.601 4.853 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.913 -1.753 5.848 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.411 -1.969 5.764 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -11.070 -1.325 4.921 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.942 -2.792 6.540 1.00 0.00 O ATOM 0 H GLU A 84 -6.905 -3.663 2.995 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.467 -2.465 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.363 -3.652 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.065 -2.474 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.575 -1.984 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.693 -0.700 5.671 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.875 -0.398 3.268 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.475 1.003 3.153 1.00 0.00 C ATOM 1427 C ALA A 85 -6.876 1.618 1.812 1.00 0.00 C ATOM 1428 O ALA A 85 -7.278 2.780 1.744 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.976 1.134 3.361 1.00 0.00 C ATOM 0 H ALA A 85 -6.105 -1.035 3.471 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.004 1.555 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.687 2.181 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.713 0.766 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.451 0.548 2.606 1.00 0.00 H new ATOM 1435 N MET A 86 -6.772 0.841 0.740 1.00 0.00 N ATOM 1436 CA MET A 86 -7.073 1.362 -0.585 1.00 0.00 C ATOM 1437 C MET A 86 -8.566 1.321 -0.890 1.00 0.00 C ATOM 1438 O MET A 86 -9.001 1.823 -1.924 1.00 0.00 O ATOM 1439 CB MET A 86 -6.281 0.622 -1.664 1.00 0.00 C ATOM 1440 CG MET A 86 -4.818 1.032 -1.708 1.00 0.00 C ATOM 1441 SD MET A 86 -3.933 0.341 -3.119 1.00 0.00 S ATOM 1442 CE MET A 86 -2.364 1.191 -2.962 1.00 0.00 C ATOM 0 H MET A 86 -6.486 -0.138 0.762 1.00 0.00 H new ATOM 0 HA MET A 86 -6.766 2.408 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.347 -0.451 -1.485 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.736 0.812 -2.636 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.752 2.119 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.329 0.712 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.234 1.873 -3.802 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.348 1.756 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.554 0.462 -2.958 1.00 0.00 H new ATOM 1452 N SER A 87 -9.356 0.747 0.014 1.00 0.00 N ATOM 1453 CA SER A 87 -10.806 0.770 -0.141 1.00 0.00 C ATOM 1454 C SER A 87 -11.316 2.202 -0.003 1.00 0.00 C ATOM 1455 O SER A 87 -12.119 2.669 -0.815 1.00 0.00 O ATOM 1456 CB SER A 87 -11.488 -0.135 0.891 1.00 0.00 C ATOM 1457 OG SER A 87 -11.121 -1.493 0.705 1.00 0.00 O ATOM 0 H SER A 87 -9.022 0.267 0.850 1.00 0.00 H new ATOM 0 HA SER A 87 -11.051 0.391 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.213 0.184 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.570 -0.033 0.809 1.00 0.00 H new ATOM 0 HG SER A 87 -10.144 -1.568 0.687 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.813 2.906 1.008 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.217 4.284 1.253 1.00 0.00 C ATOM 1465 C GLN A 88 -10.648 5.203 0.180 1.00 0.00 C ATOM 1466 O GLN A 88 -11.303 6.153 -0.244 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.775 4.759 2.643 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.413 3.991 3.796 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.795 2.622 4.002 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -9.610 2.427 3.748 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -11.596 1.665 4.442 1.00 0.00 N ATOM 0 H GLN A 88 -10.126 2.544 1.669 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.306 4.322 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.691 4.671 2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.017 5.817 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.313 4.572 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.480 3.878 3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.575 1.871 4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.234 0.722 4.582 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.429 4.909 -0.266 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.797 5.680 -1.329 1.00 0.00 C ATOM 1482 C ALA A 89 -9.563 5.508 -2.640 1.00 0.00 C ATOM 1483 O ALA A 89 -9.743 6.462 -3.400 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.343 5.262 -1.496 1.00 0.00 C ATOM 0 H ALA A 89 -8.861 4.142 0.093 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.820 6.735 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.886 5.847 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.805 5.436 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.296 4.203 -1.750 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.014 4.283 -2.891 1.00 0.00 N ATOM 1491 CA ARG A 90 -10.855 3.981 -4.045 1.00 0.00 C ATOM 1492 C ARG A 90 -12.119 4.829 -4.017 1.00 0.00 C ATOM 1493 O ARG A 90 -12.405 5.582 -4.947 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.237 2.496 -4.043 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.225 2.106 -5.133 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.770 0.701 -4.911 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.471 0.584 -3.629 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.130 -0.508 -3.231 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.195 -1.573 -4.022 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.733 -0.525 -2.044 1.00 0.00 N ATOM 0 H ARG A 90 -9.808 3.475 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.293 4.210 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.332 1.899 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.665 2.243 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.049 2.819 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.736 2.159 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.451 0.443 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.950 -0.016 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.455 1.387 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.741 -1.558 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.699 -2.406 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.692 0.295 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.236 -1.358 -1.740 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.848 4.731 -2.915 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.130 5.407 -2.774 1.00 0.00 C ATOM 1516 C GLU A 91 -13.946 6.888 -2.435 1.00 0.00 C ATOM 1517 O GLU A 91 -14.904 7.585 -2.105 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.969 4.689 -1.717 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.316 3.264 -2.124 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.870 2.433 -0.990 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -17.063 2.586 -0.655 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.121 1.601 -0.445 1.00 0.00 O ATOM 0 H GLU A 91 -12.571 4.185 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.658 5.368 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.424 4.672 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.888 5.249 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.046 3.293 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.423 2.779 -2.517 1.00 0.00 H new ATOM 1529 N SER A 92 -12.708 7.358 -2.522 1.00 0.00 N ATOM 1530 CA SER A 92 -12.411 8.773 -2.374 1.00 0.00 C ATOM 1531 C SER A 92 -12.214 9.398 -3.758 1.00 0.00 C ATOM 1532 O SER A 92 -12.122 10.620 -3.901 1.00 0.00 O ATOM 1533 CB SER A 92 -11.153 8.968 -1.521 1.00 0.00 C ATOM 1534 OG SER A 92 -11.060 10.297 -1.038 1.00 0.00 O ATOM 0 H SER A 92 -11.890 6.774 -2.696 1.00 0.00 H new ATOM 0 HA SER A 92 -13.245 9.263 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.169 8.274 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.269 8.731 -2.113 1.00 0.00 H new ATOM 0 HG SER A 92 -11.440 10.913 -1.699 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.152 8.546 -4.778 1.00 0.00 N ATOM 1541 CA GLY A 93 -11.981 9.023 -6.137 1.00 0.00 C ATOM 1542 C GLY A 93 -10.545 8.923 -6.609 1.00 0.00 C ATOM 1543 O GLY A 93 -10.227 9.294 -7.739 1.00 0.00 O ATOM 0 H GLY A 93 -12.217 7.532 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.621 8.446 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.309 10.061 -6.199 1.00 0.00 H new ATOM 1547 N LEU A 94 -9.677 8.424 -5.741 1.00 0.00 N ATOM 1548 CA LEU A 94 -8.264 8.281 -6.069 1.00 0.00 C ATOM 1549 C LEU A 94 -8.036 7.029 -6.909 1.00 0.00 C ATOM 1550 O LEU A 94 -7.286 7.050 -7.881 1.00 0.00 O ATOM 1551 CB LEU A 94 -7.410 8.216 -4.796 1.00 0.00 C ATOM 1552 CG LEU A 94 -7.129 9.553 -4.091 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -6.339 10.484 -5.000 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.414 10.224 -3.629 1.00 0.00 C ATOM 0 H LEU A 94 -9.926 8.111 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.963 9.156 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.905 7.553 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.455 7.756 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.531 9.338 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.151 11.425 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.389 10.017 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.911 10.678 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.175 11.166 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.053 10.417 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.935 9.570 -2.930 1.00 0.00 H new ATOM 1566 N LEU A 95 -8.683 5.937 -6.528 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.565 4.691 -7.272 1.00 0.00 C ATOM 1568 C LEU A 95 -9.879 4.356 -7.963 1.00 0.00 C ATOM 1569 O LEU A 95 -10.916 4.221 -7.314 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.136 3.520 -6.369 1.00 0.00 C ATOM 1571 CG LEU A 95 -6.658 3.493 -5.949 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -5.751 3.602 -7.163 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.346 4.592 -4.943 1.00 0.00 C ATOM 0 H LEU A 95 -9.293 5.888 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.788 4.837 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.748 3.541 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.362 2.588 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.469 2.536 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.710 3.581 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.941 2.765 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.951 4.538 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.293 4.544 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.561 5.564 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.961 4.456 -4.053 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.823 4.246 -9.281 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.982 3.870 -10.081 1.00 0.00 C ATOM 1587 C LEU A 96 -11.351 2.412 -9.824 1.00 0.00 C ATOM 1588 O LEU A 96 -12.511 2.080 -9.570 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.668 4.108 -11.565 1.00 0.00 C ATOM 1590 CG LEU A 96 -11.513 3.322 -12.576 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -12.996 3.560 -12.360 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -11.120 3.695 -13.996 1.00 0.00 C ATOM 0 H LEU A 96 -8.977 4.414 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.838 4.483 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.788 5.171 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.619 3.866 -11.735 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.318 2.261 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.567 2.989 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.273 3.241 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.215 4.621 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.728 3.129 -14.702 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.283 4.762 -14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.067 3.462 -14.155 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.354 1.554 -9.888 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.541 0.139 -9.635 1.00 0.00 C ATOM 1606 C GLN A 97 -9.647 -0.280 -8.481 1.00 0.00 C ATOM 1607 O GLN A 97 -8.717 0.445 -8.125 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.214 -0.676 -10.886 1.00 0.00 C ATOM 1609 CG GLN A 97 -11.210 -0.503 -12.021 1.00 0.00 C ATOM 1610 CD GLN A 97 -12.639 -0.807 -11.607 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -12.885 -1.609 -10.705 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -13.591 -0.177 -12.273 1.00 0.00 N ATOM 0 H GLN A 97 -9.395 1.816 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.583 -0.048 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.223 -0.393 -11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.167 -1.731 -10.616 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.155 0.520 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.929 -1.157 -12.846 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.346 0.480 -13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.571 -0.348 -12.046 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.917 -1.438 -7.898 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.116 -1.912 -6.774 1.00 0.00 C ATOM 1623 C ASN A 98 -7.918 -2.703 -7.292 1.00 0.00 C ATOM 1624 O ASN A 98 -8.069 -3.811 -7.809 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.954 -2.770 -5.822 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.262 -2.988 -4.486 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -8.036 -2.987 -4.395 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.042 -3.175 -3.435 1.00 0.00 N ATOM 0 H ASN A 98 -10.674 -2.062 -8.178 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.759 -1.047 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.918 -2.289 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.155 -3.735 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.630 -3.324 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.056 -3.170 -3.545 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.707 -2.147 -7.153 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.498 -2.731 -7.720 1.00 0.00 C ATOM 1637 C PRO A 99 -4.978 -3.918 -6.911 1.00 0.00 C ATOM 1638 O PRO A 99 -4.170 -4.702 -7.404 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.482 -1.572 -7.700 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.214 -0.381 -7.162 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.413 -0.908 -6.430 1.00 0.00 C ATOM 0 HA PRO A 99 -5.680 -3.133 -8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.625 -1.817 -7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.099 -1.373 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.575 0.197 -6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.516 0.286 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.197 -1.094 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.249 -0.210 -6.465 1.00 0.00 H new ATOM 1649 N THR A 100 -5.455 -4.065 -5.677 1.00 0.00 N ATOM 1650 CA THR A 100 -4.971 -5.130 -4.805 1.00 0.00 C ATOM 1651 C THR A 100 -5.442 -6.499 -5.289 1.00 0.00 C ATOM 1652 O THR A 100 -4.725 -7.490 -5.161 1.00 0.00 O ATOM 1653 CB THR A 100 -5.414 -4.927 -3.340 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.844 -4.953 -3.237 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.888 -3.607 -2.796 1.00 0.00 C ATOM 0 H THR A 100 -6.169 -3.466 -5.262 1.00 0.00 H new ATOM 0 HA THR A 100 -3.883 -5.088 -4.845 1.00 0.00 H new ATOM 0 HB THR A 100 -4.999 -5.744 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.203 -4.066 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.212 -3.484 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.799 -3.605 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.276 -2.785 -3.398 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.635 -6.545 -5.869 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.197 -7.802 -6.341 1.00 0.00 C ATOM 1665 C GLU A 101 -6.553 -8.234 -7.650 1.00 0.00 C ATOM 1666 O GLU A 101 -6.494 -9.423 -7.955 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.711 -7.694 -6.516 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.469 -7.524 -5.210 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.963 -7.699 -5.384 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.422 -8.859 -5.409 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.680 -6.684 -5.500 1.00 0.00 O ATOM 0 H GLU A 101 -7.229 -5.730 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.986 -8.558 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.933 -6.848 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.074 -8.589 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.103 -8.249 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.267 -6.534 -4.802 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.062 -7.266 -8.414 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.431 -7.553 -9.694 1.00 0.00 C ATOM 1680 C ALA A 102 -3.961 -7.913 -9.505 1.00 0.00 C ATOM 1681 O ALA A 102 -3.290 -8.371 -10.433 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.580 -6.364 -10.629 1.00 0.00 C ATOM 0 H ALA A 102 -6.089 -6.276 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.930 -8.412 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.104 -6.590 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.638 -6.159 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.104 -5.490 -10.184 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.467 -7.707 -8.294 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.095 -8.044 -7.966 1.00 0.00 C ATOM 1690 C ALA A 103 -2.013 -9.486 -7.491 1.00 0.00 C ATOM 1691 O ALA A 103 -2.230 -9.780 -6.313 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.545 -7.097 -6.910 1.00 0.00 C ATOM 0 H ALA A 103 -3.999 -7.307 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.485 -7.936 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.515 -7.368 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.575 -6.075 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.150 -7.169 -6.006 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.730 -10.385 -8.421 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.637 -11.799 -8.113 1.00 0.00 C ATOM 1700 C LYS A 104 -0.241 -12.325 -8.417 1.00 0.00 C ATOM 1701 O LYS A 104 0.205 -12.292 -9.565 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.668 -12.598 -8.912 1.00 0.00 C ATOM 1703 CG LYS A 104 -2.533 -14.100 -8.727 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.456 -14.872 -9.650 1.00 0.00 C ATOM 1705 CE LYS A 104 -3.246 -16.372 -9.509 1.00 0.00 C ATOM 1706 NZ LYS A 104 -1.865 -16.786 -9.888 1.00 0.00 N ATOM 0 H LYS A 104 -1.560 -10.156 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.841 -11.921 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.669 -12.290 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.564 -12.358 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.501 -14.397 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.756 -14.359 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.493 -14.624 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.276 -14.572 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.443 -16.669 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.966 -16.898 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.910 -17.473 -10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.324 -15.952 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.396 -17.223 -9.069 1.00 0.00 H new ATOM 1720 N PRO A 105 0.467 -12.801 -7.388 1.00 0.00 N ATOM 1721 CA PRO A 105 1.776 -13.436 -7.553 1.00 0.00 C ATOM 1722 C PRO A 105 1.684 -14.727 -8.371 1.00 0.00 C ATOM 1723 O PRO A 105 0.596 -15.294 -8.535 1.00 0.00 O ATOM 1724 CB PRO A 105 2.217 -13.741 -6.114 1.00 0.00 C ATOM 1725 CG PRO A 105 1.365 -12.875 -5.255 1.00 0.00 C ATOM 1726 CD PRO A 105 0.059 -12.744 -5.979 1.00 0.00 C ATOM 0 HA PRO A 105 2.475 -12.798 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.076 -14.795 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.275 -13.520 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.223 -13.319 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.827 -11.900 -5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.629 -13.550 -5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.445 -11.807 -5.740 1.00 0.00 H new ATOM 1734 N PRO A 106 2.823 -15.195 -8.910 1.00 0.00 N ATOM 1735 CA PRO A 106 2.886 -16.450 -9.669 1.00 0.00 C ATOM 1736 C PRO A 106 2.447 -17.644 -8.826 1.00 0.00 C ATOM 1737 O PRO A 106 2.519 -17.599 -7.595 1.00 0.00 O ATOM 1738 CB PRO A 106 4.367 -16.575 -10.042 1.00 0.00 C ATOM 1739 CG PRO A 106 4.913 -15.193 -9.929 1.00 0.00 C ATOM 1740 CD PRO A 106 4.137 -14.536 -8.827 1.00 0.00 C ATOM 0 HA PRO A 106 2.221 -16.441 -10.533 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.886 -17.260 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.488 -16.965 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.979 -15.211 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.798 -14.649 -10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.606 -14.691 -7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.059 -13.459 -8.975 1.00 0.00 H new ATOM 1748 N ARG A 107 1.990 -18.702 -9.495 1.00 0.00 N ATOM 1749 CA ARG A 107 1.504 -19.906 -8.821 1.00 0.00 C ATOM 1750 C ARG A 107 0.230 -19.599 -8.036 1.00 0.00 C ATOM 1751 O ARG A 107 -0.540 -18.714 -8.416 1.00 0.00 O ATOM 1752 CB ARG A 107 2.580 -20.493 -7.898 1.00 0.00 C ATOM 1753 CG ARG A 107 3.727 -21.162 -8.636 1.00 0.00 C ATOM 1754 CD ARG A 107 4.778 -21.681 -7.665 1.00 0.00 C ATOM 1755 NE ARG A 107 5.505 -20.594 -7.011 1.00 0.00 N ATOM 1756 CZ ARG A 107 5.608 -20.439 -5.691 1.00 0.00 C ATOM 1757 NH1 ARG A 107 5.018 -21.297 -4.865 1.00 0.00 N ATOM 1758 NH2 ARG A 107 6.313 -19.426 -5.201 1.00 0.00 N ATOM 0 H ARG A 107 1.946 -18.749 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 107 1.272 -20.651 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.980 -19.697 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.116 -21.221 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.344 -21.987 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.184 -20.451 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.298 -22.302 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.483 -22.318 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 107 5.966 -19.906 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.482 -22.080 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.101 -21.173 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.772 -18.771 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.395 -19.303 -4.192 1.00 0.00 H new ATOM 1772 N HIS A 108 -0.005 -20.339 -6.962 1.00 0.00 N ATOM 1773 CA HIS A 108 -1.214 -20.164 -6.168 1.00 0.00 C ATOM 1774 C HIS A 108 -0.926 -19.388 -4.886 1.00 0.00 C ATOM 1775 O HIS A 108 -0.346 -19.930 -3.944 1.00 0.00 O ATOM 1776 CB HIS A 108 -1.823 -21.519 -5.803 1.00 0.00 C ATOM 1777 CG HIS A 108 -2.241 -22.341 -6.979 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -3.394 -22.103 -7.685 1.00 0.00 N ATOM 1779 CD2 HIS A 108 -1.660 -23.415 -7.563 1.00 0.00 C ATOM 1780 CE1 HIS A 108 -3.509 -22.991 -8.651 1.00 0.00 C ATOM 1781 NE2 HIS A 108 -2.468 -23.803 -8.601 1.00 0.00 N ATOM 0 H HIS A 108 0.624 -21.065 -6.620 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.920 -19.598 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.098 -22.085 -5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -2.690 -21.354 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -0.732 -23.880 -7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.318 -23.046 -9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -2.294 -24.587 -9.229 1.00 0.00 H new ATOM 1790 N PRO A 109 -1.315 -18.105 -4.835 1.00 0.00 N ATOM 1791 CA PRO A 109 -1.219 -17.308 -3.614 1.00 0.00 C ATOM 1792 C PRO A 109 -2.356 -17.632 -2.646 1.00 0.00 C ATOM 1793 O PRO A 109 -2.173 -17.632 -1.435 1.00 0.00 O ATOM 1794 CB PRO A 109 -1.333 -15.870 -4.124 1.00 0.00 C ATOM 1795 CG PRO A 109 -2.136 -15.968 -5.376 1.00 0.00 C ATOM 1796 CD PRO A 109 -1.853 -17.327 -5.967 1.00 0.00 C ATOM 0 HA PRO A 109 -0.301 -17.497 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.822 -15.229 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.350 -15.441 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -3.199 -15.852 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.862 -15.177 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.757 -17.783 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -1.135 -17.265 -6.785 1.00 0.00 H new ATOM 1804 N LEU A 110 -3.525 -17.916 -3.210 1.00 0.00 N ATOM 1805 CA LEU A 110 -4.713 -18.257 -2.435 1.00 0.00 C ATOM 1806 C LEU A 110 -5.623 -19.146 -3.270 1.00 0.00 C ATOM 1807 O LEU A 110 -5.801 -18.904 -4.466 1.00 0.00 O ATOM 1808 CB LEU A 110 -5.485 -16.993 -2.025 1.00 0.00 C ATOM 1809 CG LEU A 110 -4.808 -16.099 -0.982 1.00 0.00 C ATOM 1810 CD1 LEU A 110 -5.580 -14.798 -0.821 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -4.710 -16.820 0.355 1.00 0.00 C ATOM 0 H LEU A 110 -3.676 -17.916 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.396 -18.781 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.669 -16.398 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.458 -17.296 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.800 -15.869 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.087 -14.172 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.609 -14.272 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.597 -15.016 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.226 -16.170 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.710 -17.076 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.123 -17.731 0.235 1.00 0.00 H new ATOM 1823 N GLU A 111 -6.187 -20.179 -2.659 1.00 0.00 N ATOM 1824 CA GLU A 111 -7.150 -21.027 -3.353 1.00 0.00 C ATOM 1825 C GLU A 111 -8.538 -20.397 -3.313 1.00 0.00 C ATOM 1826 O GLU A 111 -9.428 -20.767 -4.079 1.00 0.00 O ATOM 1827 CB GLU A 111 -7.200 -22.424 -2.736 1.00 0.00 C ATOM 1828 CG GLU A 111 -7.691 -22.439 -1.298 1.00 0.00 C ATOM 1829 CD GLU A 111 -7.989 -23.835 -0.799 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -7.041 -24.622 -0.625 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -9.179 -24.150 -0.578 1.00 0.00 O ATOM 0 H GLU A 111 -5.998 -20.449 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.826 -21.119 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.852 -23.055 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.204 -22.865 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.938 -21.981 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.591 -21.829 -1.219 1.00 0.00 H new ATOM 1838 N HIS A 112 -8.715 -19.445 -2.410 1.00 0.00 N ATOM 1839 CA HIS A 112 -10.001 -18.785 -2.254 1.00 0.00 C ATOM 1840 C HIS A 112 -9.972 -17.415 -2.917 1.00 0.00 C ATOM 1841 O HIS A 112 -9.617 -16.419 -2.291 1.00 0.00 O ATOM 1842 CB HIS A 112 -10.376 -18.642 -0.773 1.00 0.00 C ATOM 1843 CG HIS A 112 -10.508 -19.945 -0.045 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -11.590 -20.786 -0.191 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -9.686 -20.550 0.845 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -11.429 -21.847 0.575 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -10.280 -21.730 1.214 1.00 0.00 N ATOM 0 H HIS A 112 -7.987 -19.113 -1.777 1.00 0.00 H new ATOM 0 HA HIS A 112 -10.757 -19.403 -2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -9.620 -18.035 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.319 -18.100 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -8.738 -20.173 1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -12.120 -22.672 0.664 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.897 -22.406 1.874 1.00 0.00 H new ATOM 1856 N HIS A 113 -10.309 -17.381 -4.200 1.00 0.00 N ATOM 1857 CA HIS A 113 -10.347 -16.126 -4.945 1.00 0.00 C ATOM 1858 C HIS A 113 -11.642 -15.372 -4.646 1.00 0.00 C ATOM 1859 O HIS A 113 -12.700 -15.681 -5.200 1.00 0.00 O ATOM 1860 CB HIS A 113 -10.171 -16.370 -6.462 1.00 0.00 C ATOM 1861 CG HIS A 113 -11.231 -17.226 -7.101 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -11.595 -18.511 -6.873 1.00 0.00 N flip ATOM 1863 CD2 HIS A 113 -12.052 -16.775 -8.111 1.00 0.00 C flip ATOM 1864 CE1 HIS A 113 -12.618 -18.802 -7.737 1.00 0.00 C flip ATOM 1865 NE2 HIS A 113 -12.875 -17.739 -8.471 1.00 0.00 N flip ATOM 0 H HIS A 113 -10.560 -18.205 -4.747 1.00 0.00 H new ATOM 0 HA HIS A 113 -9.511 -15.507 -4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -10.151 -15.405 -6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -9.200 -16.837 -6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -12.025 -15.785 -8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -13.131 -19.750 -7.805 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -13.590 -17.673 -9.195 1.00 0.00 H new ATOM 1874 N HIS A 114 -11.546 -14.410 -3.731 1.00 0.00 N ATOM 1875 CA HIS A 114 -12.698 -13.627 -3.293 1.00 0.00 C ATOM 1876 C HIS A 114 -13.768 -14.570 -2.734 1.00 0.00 C ATOM 1877 O HIS A 114 -13.438 -15.586 -2.117 1.00 0.00 O ATOM 1878 CB HIS A 114 -13.241 -12.781 -4.456 1.00 0.00 C ATOM 1879 CG HIS A 114 -13.599 -11.375 -4.064 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -14.429 -10.574 -4.814 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -13.222 -10.625 -2.999 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -14.547 -9.395 -4.232 1.00 0.00 C ATOM 1883 NE2 HIS A 114 -13.824 -9.397 -3.125 1.00 0.00 N ATOM 0 H HIS A 114 -10.671 -14.152 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 114 -12.398 -12.939 -2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -12.495 -12.749 -5.250 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -14.124 -13.270 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.568 -10.936 -2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.136 -8.567 -4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.729 -8.618 -2.474 1.00 0.00 H new ATOM 1892 N HIS A 115 -15.037 -14.255 -2.939 1.00 0.00 N ATOM 1893 CA HIS A 115 -16.105 -15.108 -2.443 1.00 0.00 C ATOM 1894 C HIS A 115 -17.261 -15.150 -3.437 1.00 0.00 C ATOM 1895 O HIS A 115 -17.673 -14.115 -3.967 1.00 0.00 O ATOM 1896 CB HIS A 115 -16.590 -14.602 -1.079 1.00 0.00 C ATOM 1897 CG HIS A 115 -17.341 -15.626 -0.284 1.00 0.00 C ATOM 1898 ND1 HIS A 115 -16.833 -16.210 0.856 1.00 0.00 N ATOM 1899 CD2 HIS A 115 -18.570 -16.165 -0.460 1.00 0.00 C ATOM 1900 CE1 HIS A 115 -17.713 -17.062 1.344 1.00 0.00 C ATOM 1901 NE2 HIS A 115 -18.776 -17.051 0.564 1.00 0.00 N ATOM 0 H HIS A 115 -15.351 -13.424 -3.440 1.00 0.00 H new ATOM 0 HA HIS A 115 -15.718 -16.120 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -15.730 -14.266 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -17.230 -13.733 -1.231 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.260 -15.939 -1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -17.585 -17.665 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -19.617 -17.612 0.701 1.00 0.00 H new ATOM 1910 N HIS A 116 -17.771 -16.350 -3.693 1.00 0.00 N ATOM 1911 CA HIS A 116 -18.921 -16.529 -4.573 1.00 0.00 C ATOM 1912 C HIS A 116 -20.211 -16.285 -3.808 1.00 0.00 C ATOM 1913 O HIS A 116 -20.857 -17.226 -3.345 1.00 0.00 O ATOM 1914 CB HIS A 116 -18.952 -17.935 -5.187 1.00 0.00 C ATOM 1915 CG HIS A 116 -17.996 -18.143 -6.320 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -18.034 -17.396 -7.474 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -16.996 -19.039 -6.490 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -17.105 -17.823 -8.304 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -16.457 -18.824 -7.735 1.00 0.00 N ATOM 0 H HIS A 116 -17.404 -17.217 -3.301 1.00 0.00 H new ATOM 0 HA HIS A 116 -18.828 -15.804 -5.382 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -18.733 -18.663 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -19.963 -18.141 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -16.680 -19.786 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -16.906 -17.422 -9.287 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -15.687 -19.348 -8.150 1.00 0.00 H new ATOM 1928 N HIS A 117 -20.555 -15.018 -3.646 1.00 0.00 N ATOM 1929 CA HIS A 117 -21.762 -14.622 -2.940 1.00 0.00 C ATOM 1930 C HIS A 117 -21.944 -13.119 -3.069 1.00 0.00 C ATOM 1931 O HIS A 117 -22.758 -12.682 -3.905 1.00 0.00 O ATOM 1932 CB HIS A 117 -21.684 -15.019 -1.460 1.00 0.00 C ATOM 1933 CG HIS A 117 -22.920 -14.697 -0.674 1.00 0.00 C ATOM 1934 ND1 HIS A 117 -24.037 -15.498 -0.672 1.00 0.00 N ATOM 1935 CD2 HIS A 117 -23.203 -13.661 0.149 1.00 0.00 C ATOM 1936 CE1 HIS A 117 -24.954 -14.971 0.114 1.00 0.00 C ATOM 1937 NE2 HIS A 117 -24.474 -13.856 0.630 1.00 0.00 N ATOM 1938 OXT HIS A 117 -21.244 -12.383 -2.350 1.00 0.00 O ATOM 0 H HIS A 117 -20.005 -14.235 -4.000 1.00 0.00 H new ATOM 0 HA HIS A 117 -22.616 -15.136 -3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -21.492 -16.090 -1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.834 -14.513 -1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -22.550 -12.834 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -25.934 -15.383 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -24.965 -13.241 1.279 1.00 0.00 H new TER 1947 HIS A 117