USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 529 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 40 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD Set 1.2: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 36 CYS SG : rot 180:sc= -1.16 USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -116:sc= 0.408 (180deg=-0.414) USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0.816 USER MOD Set 4.1: A 26 CYS SG : rot -131:sc= 1.6 USER MOD Set 4.2: A 57 CYS SG : rot 177:sc= 1.14 USER MOD Set 5.1: A 23 CYS SG : rot -56:sc= -1.19 USER MOD Set 5.2: A 24 CYS SG : rot 158:sc= 0.775 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.157 (180deg=-0.744) USER MOD Single : A 1 MET N :NH3+ 138:sc=-0.00451 (180deg=-0.212) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -77:sc= 0.979 USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= -0.469 (180deg=-0.885) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.106 (180deg=-0.502) USER MOD Single : A 8 GLN :FLIP amide:sc=-0.00705 F(o=-1.1!,f=-0.0071) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0973 F(o=-1.1,f=-0.097) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 13 HIS : no HE2:sc= 0.00287 X(o=0.0029,f=-0.029) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0569 (180deg=-0.325) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc=-0.00673 (180deg=-0.113) USER MOD Single : A 35 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.104 F(o=-1,f=-0.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -1.49 (180deg=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0728 (180deg=-0.352) USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= -0.538 (180deg=-1) USER MOD Single : A 58 MET CE :methyl -151:sc= -1.01 (180deg=-2.27!) USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= -1.96! (180deg=-4.25!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.195 F(o=-2.7!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.807 31.295 -24.237 1.00 0.00 N ATOM 2 CA MET A 1 -20.532 31.812 -24.799 1.00 0.00 C ATOM 3 C MET A 1 -19.339 31.292 -24.005 1.00 0.00 C ATOM 4 O MET A 1 -19.421 31.114 -22.788 1.00 0.00 O ATOM 5 CB MET A 1 -20.534 33.343 -24.796 1.00 0.00 C ATOM 6 CG MET A 1 -20.710 33.953 -23.414 1.00 0.00 C ATOM 7 SD MET A 1 -20.767 35.756 -23.452 1.00 0.00 S ATOM 8 CE MET A 1 -22.231 36.032 -24.447 1.00 0.00 C ATOM 0 H1 MET A 1 -22.514 32.058 -24.220 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.155 30.513 -24.828 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.646 30.951 -23.269 1.00 0.00 H new ATOM 0 HA MET A 1 -20.445 31.457 -25.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.597 33.699 -25.224 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.335 33.697 -25.444 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.629 33.574 -22.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.889 33.633 -22.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.623 37.029 -24.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.975 35.947 -25.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.987 35.288 -24.196 1.00 0.00 H new ATOM 20 N THR A 2 -18.232 31.048 -24.703 1.00 0.00 N ATOM 21 CA THR A 2 -17.015 30.547 -24.069 1.00 0.00 C ATOM 22 C THR A 2 -17.256 29.181 -23.428 1.00 0.00 C ATOM 23 O THR A 2 -16.455 28.707 -22.623 1.00 0.00 O ATOM 24 CB THR A 2 -16.495 31.533 -23.001 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.614 32.878 -23.481 1.00 0.00 O ATOM 26 CG2 THR A 2 -15.042 31.248 -22.651 1.00 0.00 C ATOM 0 H THR A 2 -18.153 31.190 -25.710 1.00 0.00 H new ATOM 0 HA THR A 2 -16.261 30.446 -24.850 1.00 0.00 H new ATOM 0 HB THR A 2 -17.099 31.406 -22.102 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.284 33.499 -22.799 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.703 31.958 -21.897 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.954 30.234 -22.260 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.426 31.347 -23.545 1.00 0.00 H new ATOM 34 N GLU A 3 -18.365 28.549 -23.802 1.00 0.00 N ATOM 35 CA GLU A 3 -18.717 27.239 -23.266 1.00 0.00 C ATOM 36 C GLU A 3 -19.161 26.299 -24.383 1.00 0.00 C ATOM 37 O GLU A 3 -19.050 25.078 -24.261 1.00 0.00 O ATOM 38 CB GLU A 3 -19.831 27.377 -22.225 1.00 0.00 C ATOM 39 CG GLU A 3 -20.177 26.074 -21.522 1.00 0.00 C ATOM 40 CD GLU A 3 -21.317 26.233 -20.534 1.00 0.00 C ATOM 41 OE1 GLU A 3 -21.049 26.615 -19.375 1.00 0.00 O ATOM 42 OE2 GLU A 3 -22.476 25.975 -20.918 1.00 0.00 O ATOM 0 H GLU A 3 -19.035 28.923 -24.474 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.833 26.816 -22.789 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.530 28.113 -21.479 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.725 27.765 -22.713 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.447 25.324 -22.266 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.296 25.702 -20.999 1.00 0.00 H new ATOM 49 N THR A 4 -19.661 26.877 -25.470 1.00 0.00 N ATOM 50 CA THR A 4 -20.127 26.093 -26.609 1.00 0.00 C ATOM 51 C THR A 4 -18.955 25.534 -27.409 1.00 0.00 C ATOM 52 O THR A 4 -17.960 26.224 -27.634 1.00 0.00 O ATOM 53 CB THR A 4 -21.022 26.932 -27.541 1.00 0.00 C ATOM 54 OG1 THR A 4 -21.430 26.146 -28.667 1.00 0.00 O ATOM 55 CG2 THR A 4 -20.292 28.176 -28.023 1.00 0.00 C ATOM 0 H THR A 4 -19.754 27.886 -25.587 1.00 0.00 H new ATOM 0 HA THR A 4 -20.713 25.267 -26.206 1.00 0.00 H new ATOM 0 HB THR A 4 -21.901 27.244 -26.977 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.688 26.077 -29.304 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.946 28.750 -28.679 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.010 28.787 -27.166 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.396 27.883 -28.570 1.00 0.00 H new ATOM 63 N ASP A 5 -19.085 24.279 -27.834 1.00 0.00 N ATOM 64 CA ASP A 5 -18.043 23.607 -28.609 1.00 0.00 C ATOM 65 C ASP A 5 -16.763 23.447 -27.792 1.00 0.00 C ATOM 66 O ASP A 5 -16.474 24.247 -26.902 1.00 0.00 O ATOM 67 CB ASP A 5 -17.748 24.375 -29.900 1.00 0.00 C ATOM 68 CG ASP A 5 -18.930 24.387 -30.847 1.00 0.00 C ATOM 69 OD1 ASP A 5 -19.803 25.266 -30.695 1.00 0.00 O ATOM 70 OD2 ASP A 5 -18.983 23.515 -31.741 1.00 0.00 O ATOM 0 H ASP A 5 -19.907 23.703 -27.653 1.00 0.00 H new ATOM 0 HA ASP A 5 -18.412 22.614 -28.866 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.472 25.401 -29.655 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.890 23.925 -30.400 1.00 0.00 H new ATOM 75 N LYS A 6 -16.001 22.404 -28.100 1.00 0.00 N ATOM 76 CA LYS A 6 -14.751 22.136 -27.399 1.00 0.00 C ATOM 77 C LYS A 6 -13.753 21.436 -28.316 1.00 0.00 C ATOM 78 O LYS A 6 -14.116 20.526 -29.063 1.00 0.00 O ATOM 79 CB LYS A 6 -15.014 21.279 -26.156 1.00 0.00 C ATOM 80 CG LYS A 6 -13.761 20.947 -25.358 1.00 0.00 C ATOM 81 CD LYS A 6 -13.112 22.195 -24.775 1.00 0.00 C ATOM 82 CE LYS A 6 -13.972 22.818 -23.686 1.00 0.00 C ATOM 83 NZ LYS A 6 -14.165 21.896 -22.532 1.00 0.00 N ATOM 0 H LYS A 6 -16.227 21.730 -28.831 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.323 23.089 -27.089 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.717 21.803 -25.508 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.494 20.350 -26.463 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.016 20.260 -24.551 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.047 20.433 -26.001 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.134 21.940 -24.366 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.945 22.923 -25.569 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.506 23.740 -23.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.943 23.088 -24.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.181 21.717 -22.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.677 20.997 -22.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.772 22.329 -21.672 1.00 0.00 H new ATOM 97 N LYS A 7 -12.499 21.870 -28.257 1.00 0.00 N ATOM 98 CA LYS A 7 -11.447 21.285 -29.083 1.00 0.00 C ATOM 99 C LYS A 7 -10.149 21.143 -28.296 1.00 0.00 C ATOM 100 O LYS A 7 -9.120 20.752 -28.846 1.00 0.00 O ATOM 101 CB LYS A 7 -11.207 22.143 -30.325 1.00 0.00 C ATOM 102 CG LYS A 7 -12.423 22.264 -31.230 1.00 0.00 C ATOM 103 CD LYS A 7 -12.149 23.174 -32.417 1.00 0.00 C ATOM 104 CE LYS A 7 -11.964 24.620 -31.984 1.00 0.00 C ATOM 105 NZ LYS A 7 -13.151 25.133 -31.244 1.00 0.00 N ATOM 0 H LYS A 7 -12.185 22.624 -27.646 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.776 20.292 -29.391 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.897 23.140 -30.012 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.382 21.717 -30.896 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.711 21.275 -31.588 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.265 22.654 -30.659 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.255 22.833 -32.939 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.976 23.109 -33.125 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.080 24.700 -31.352 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.786 25.242 -32.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.121 26.172 -31.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.020 24.824 -31.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.142 24.762 -30.273 1.00 0.00 H new ATOM 119 N GLN A 8 -10.204 21.465 -27.007 1.00 0.00 N ATOM 120 CA GLN A 8 -9.030 21.371 -26.146 1.00 0.00 C ATOM 121 C GLN A 8 -8.908 19.972 -25.551 1.00 0.00 C ATOM 122 O GLN A 8 -9.734 19.565 -24.736 1.00 0.00 O ATOM 123 CB GLN A 8 -9.105 22.413 -25.028 1.00 0.00 C ATOM 124 CG GLN A 8 -7.880 22.430 -24.128 1.00 0.00 C ATOM 125 CD GLN A 8 -8.010 23.415 -22.980 1.00 0.00 C ATOM 126 OE1 GLN A 8 -9.235 23.622 -22.508 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 -7.018 23.981 -22.519 1.00 0.00 N flip ATOM 0 H GLN A 8 -11.048 21.793 -26.536 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.146 21.567 -26.752 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.233 23.400 -25.471 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.989 22.219 -24.421 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.715 21.430 -23.727 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.002 22.684 -24.721 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.095 23.793 -22.911 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.119 24.638 -21.745 1.00 0.00 H new ATOM 136 N GLU A 9 -7.873 19.245 -25.968 1.00 0.00 N ATOM 137 CA GLU A 9 -7.633 17.888 -25.483 1.00 0.00 C ATOM 138 C GLU A 9 -8.797 16.963 -25.835 1.00 0.00 C ATOM 139 O GLU A 9 -8.750 16.250 -26.837 1.00 0.00 O ATOM 140 CB GLU A 9 -7.400 17.895 -23.970 1.00 0.00 C ATOM 141 CG GLU A 9 -6.209 18.738 -23.544 1.00 0.00 C ATOM 142 CD GLU A 9 -5.990 18.725 -22.044 1.00 0.00 C ATOM 143 OE1 GLU A 9 -6.568 19.589 -21.351 1.00 0.00 O ATOM 144 OE2 GLU A 9 -5.240 17.851 -21.561 1.00 0.00 O ATOM 0 H GLU A 9 -7.184 19.576 -26.644 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.738 17.509 -25.976 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.296 18.269 -23.474 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.251 16.871 -23.629 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.312 18.370 -24.041 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.359 19.765 -23.876 1.00 0.00 H new ATOM 151 N GLN A 10 -9.837 16.981 -25.006 1.00 0.00 N ATOM 152 CA GLN A 10 -11.011 16.146 -25.235 1.00 0.00 C ATOM 153 C GLN A 10 -12.276 16.999 -25.289 1.00 0.00 C ATOM 154 O GLN A 10 -12.271 18.160 -24.877 1.00 0.00 O ATOM 155 CB GLN A 10 -11.137 15.092 -24.134 1.00 0.00 C ATOM 156 CG GLN A 10 -9.952 14.139 -24.063 1.00 0.00 C ATOM 157 CD GLN A 10 -9.751 13.353 -25.345 1.00 0.00 C ATOM 158 OE1 GLN A 10 -10.842 13.076 -26.052 1.00 0.00 O flip ATOM 159 NE2 GLN A 10 -8.627 12.995 -25.696 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.890 17.564 -24.171 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.890 15.642 -26.194 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.247 15.594 -23.173 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.047 14.515 -24.298 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.048 14.707 -23.845 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.099 13.445 -23.236 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.816 13.229 -25.124 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.507 12.465 -26.559 1.00 0.00 H new ATOM 168 N GLU A 11 -13.357 16.418 -25.800 1.00 0.00 N ATOM 169 CA GLU A 11 -14.628 17.129 -25.910 1.00 0.00 C ATOM 170 C GLU A 11 -15.487 16.912 -24.667 1.00 0.00 C ATOM 171 O GLU A 11 -15.985 15.812 -24.429 1.00 0.00 O ATOM 172 CB GLU A 11 -15.386 16.669 -27.157 1.00 0.00 C ATOM 173 CG GLU A 11 -14.618 16.889 -28.450 1.00 0.00 C ATOM 174 CD GLU A 11 -15.393 16.442 -29.673 1.00 0.00 C ATOM 175 OE1 GLU A 11 -15.293 15.251 -30.038 1.00 0.00 O ATOM 176 OE2 GLU A 11 -16.101 17.282 -30.269 1.00 0.00 O ATOM 0 H GLU A 11 -13.379 15.458 -26.144 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.413 18.194 -25.996 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.621 15.609 -27.059 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.335 17.202 -27.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.373 17.947 -28.547 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.674 16.346 -28.404 1.00 0.00 H new ATOM 183 N ASN A 12 -15.658 17.971 -23.880 1.00 0.00 N ATOM 184 CA ASN A 12 -16.457 17.900 -22.659 1.00 0.00 C ATOM 185 C ASN A 12 -17.936 18.119 -22.961 1.00 0.00 C ATOM 186 O ASN A 12 -18.330 19.175 -23.455 1.00 0.00 O ATOM 187 CB ASN A 12 -15.971 18.940 -21.647 1.00 0.00 C ATOM 188 CG ASN A 12 -16.810 18.953 -20.383 1.00 0.00 C ATOM 189 OD1 ASN A 12 -17.810 19.664 -20.296 1.00 0.00 O ATOM 190 ND2 ASN A 12 -16.403 18.167 -19.393 1.00 0.00 N ATOM 0 H ASN A 12 -15.254 18.889 -24.066 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.337 16.904 -22.233 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.932 18.734 -21.388 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.995 19.928 -22.106 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.926 18.137 -18.518 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.567 17.593 -19.508 1.00 0.00 H new ATOM 197 N HIS A 13 -18.751 17.112 -22.657 1.00 0.00 N ATOM 198 CA HIS A 13 -20.189 17.191 -22.893 1.00 0.00 C ATOM 199 C HIS A 13 -20.968 16.610 -21.717 1.00 0.00 C ATOM 200 O HIS A 13 -22.180 16.409 -21.803 1.00 0.00 O ATOM 201 CB HIS A 13 -20.555 16.449 -24.179 1.00 0.00 C ATOM 202 CG HIS A 13 -20.097 15.024 -24.200 1.00 0.00 C ATOM 203 ND1 HIS A 13 -18.880 14.633 -24.720 1.00 0.00 N ATOM 204 CD2 HIS A 13 -20.697 13.890 -23.762 1.00 0.00 C ATOM 205 CE1 HIS A 13 -18.752 13.324 -24.603 1.00 0.00 C ATOM 206 NE2 HIS A 13 -19.841 12.850 -24.024 1.00 0.00 N ATOM 0 H HIS A 13 -18.439 16.232 -22.247 1.00 0.00 H new ATOM 0 HA HIS A 13 -20.458 18.242 -22.998 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -21.637 16.476 -24.309 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -20.119 16.975 -25.028 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -18.187 15.258 -25.131 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.668 13.818 -23.294 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.902 12.740 -24.925 1.00 0.00 H new ATOM 215 N ALA A 14 -20.267 16.346 -20.619 1.00 0.00 N ATOM 216 CA ALA A 14 -20.893 15.786 -19.427 1.00 0.00 C ATOM 217 C ALA A 14 -21.434 16.884 -18.519 1.00 0.00 C ATOM 218 O ALA A 14 -21.309 18.072 -18.821 1.00 0.00 O ATOM 219 CB ALA A 14 -19.900 14.915 -18.671 1.00 0.00 C ATOM 0 H ALA A 14 -19.264 16.511 -20.530 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.734 15.170 -19.745 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -20.380 14.503 -17.783 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.567 14.101 -19.314 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.041 15.517 -18.373 1.00 0.00 H new ATOM 225 N GLU A 15 -22.035 16.480 -17.403 1.00 0.00 N ATOM 226 CA GLU A 15 -22.596 17.429 -16.448 1.00 0.00 C ATOM 227 C GLU A 15 -21.497 18.068 -15.607 1.00 0.00 C ATOM 228 O GLU A 15 -20.316 17.754 -15.767 1.00 0.00 O ATOM 229 CB GLU A 15 -23.612 16.731 -15.539 1.00 0.00 C ATOM 230 CG GLU A 15 -23.022 15.584 -14.733 1.00 0.00 C ATOM 231 CD GLU A 15 -24.020 14.975 -13.768 1.00 0.00 C ATOM 232 OE1 GLU A 15 -24.752 14.049 -14.175 1.00 0.00 O ATOM 233 OE2 GLU A 15 -24.070 15.424 -12.603 1.00 0.00 O ATOM 0 H GLU A 15 -22.146 15.501 -17.138 1.00 0.00 H new ATOM 0 HA GLU A 15 -23.102 18.215 -17.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.038 17.464 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -24.432 16.351 -16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.664 14.812 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.157 15.944 -14.176 1.00 0.00 H new ATOM 240 N CYS A 16 -21.891 18.964 -14.708 1.00 0.00 N ATOM 241 CA CYS A 16 -20.939 19.647 -13.842 1.00 0.00 C ATOM 242 C CYS A 16 -20.298 18.669 -12.863 1.00 0.00 C ATOM 243 O CYS A 16 -20.599 17.475 -12.879 1.00 0.00 O ATOM 244 CB CYS A 16 -21.631 20.775 -13.073 1.00 0.00 C ATOM 245 SG CYS A 16 -22.360 22.049 -14.128 1.00 0.00 S ATOM 0 H CYS A 16 -22.864 19.234 -14.561 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.157 20.073 -14.470 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -22.413 20.346 -12.446 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.907 21.242 -12.405 1.00 0.00 H new ATOM 0 HG CYS A 16 -22.923 22.957 -13.387 1.00 0.00 H new ATOM 251 N GLU A 17 -19.416 19.186 -12.012 1.00 0.00 N ATOM 252 CA GLU A 17 -18.727 18.367 -11.020 1.00 0.00 C ATOM 253 C GLU A 17 -17.958 17.229 -11.686 1.00 0.00 C ATOM 254 O GLU A 17 -18.517 16.167 -11.963 1.00 0.00 O ATOM 255 CB GLU A 17 -19.724 17.803 -10.006 1.00 0.00 C ATOM 256 CG GLU A 17 -19.077 16.976 -8.907 1.00 0.00 C ATOM 257 CD GLU A 17 -20.090 16.418 -7.928 1.00 0.00 C ATOM 258 OE1 GLU A 17 -20.597 15.302 -8.170 1.00 0.00 O ATOM 259 OE2 GLU A 17 -20.379 17.098 -6.921 1.00 0.00 O ATOM 0 H GLU A 17 -19.161 20.173 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.013 19.004 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.273 18.628 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.453 17.186 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.519 16.154 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.358 17.593 -8.368 1.00 0.00 H new ATOM 266 N ASP A 18 -16.675 17.459 -11.942 1.00 0.00 N ATOM 267 CA ASP A 18 -15.827 16.454 -12.571 1.00 0.00 C ATOM 268 C ASP A 18 -14.967 15.744 -11.531 1.00 0.00 C ATOM 269 O ASP A 18 -14.850 16.196 -10.392 1.00 0.00 O ATOM 270 CB ASP A 18 -14.936 17.099 -13.634 1.00 0.00 C ATOM 271 CG ASP A 18 -15.734 17.669 -14.790 1.00 0.00 C ATOM 272 OD1 ASP A 18 -16.124 18.853 -14.716 1.00 0.00 O ATOM 273 OD2 ASP A 18 -15.968 16.930 -15.770 1.00 0.00 O ATOM 0 H ASP A 18 -16.199 18.334 -11.723 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.472 15.717 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.347 17.894 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.232 16.358 -14.013 1.00 0.00 H new ATOM 278 N LYS A 19 -14.367 14.628 -11.931 1.00 0.00 N ATOM 279 CA LYS A 19 -13.517 13.849 -11.036 1.00 0.00 C ATOM 280 C LYS A 19 -12.208 14.590 -10.748 1.00 0.00 C ATOM 281 O LYS A 19 -11.587 15.135 -11.662 1.00 0.00 O ATOM 282 CB LYS A 19 -13.221 12.481 -11.654 1.00 0.00 C ATOM 283 CG LYS A 19 -12.391 11.571 -10.764 1.00 0.00 C ATOM 284 CD LYS A 19 -12.121 10.235 -11.436 1.00 0.00 C ATOM 285 CE LYS A 19 -11.300 9.317 -10.545 1.00 0.00 C ATOM 286 NZ LYS A 19 -11.032 8.005 -11.196 1.00 0.00 N ATOM 0 H LYS A 19 -14.453 14.241 -12.871 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.046 13.709 -10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.164 11.986 -11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.697 12.626 -12.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.445 12.057 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.913 11.407 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.067 9.753 -11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.593 10.399 -12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.354 9.800 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.829 9.155 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.470 7.408 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.934 7.532 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.505 8.157 -12.080 1.00 0.00 H new ATOM 300 N PRO A 20 -11.771 14.624 -9.472 1.00 0.00 N ATOM 301 CA PRO A 20 -10.528 15.303 -9.078 1.00 0.00 C ATOM 302 C PRO A 20 -9.295 14.667 -9.712 1.00 0.00 C ATOM 303 O PRO A 20 -9.409 13.806 -10.586 1.00 0.00 O ATOM 304 CB PRO A 20 -10.487 15.142 -7.552 1.00 0.00 C ATOM 305 CG PRO A 20 -11.880 14.783 -7.158 1.00 0.00 C ATOM 306 CD PRO A 20 -12.445 14.013 -8.315 1.00 0.00 C ATOM 0 HA PRO A 20 -10.517 16.342 -9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.782 14.365 -7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.166 16.064 -7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.887 14.183 -6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.472 15.676 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.228 12.948 -8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.528 14.114 -8.378 1.00 0.00 H new ATOM 314 N LYS A 21 -8.115 15.097 -9.269 1.00 0.00 N ATOM 315 CA LYS A 21 -6.862 14.567 -9.799 1.00 0.00 C ATOM 316 C LYS A 21 -5.996 13.975 -8.682 1.00 0.00 C ATOM 317 O LYS A 21 -5.660 14.665 -7.718 1.00 0.00 O ATOM 318 CB LYS A 21 -6.088 15.664 -10.535 1.00 0.00 C ATOM 319 CG LYS A 21 -5.833 16.905 -9.693 1.00 0.00 C ATOM 320 CD LYS A 21 -5.014 17.934 -10.455 1.00 0.00 C ATOM 321 CE LYS A 21 -4.720 19.155 -9.598 1.00 0.00 C ATOM 322 NZ LYS A 21 -3.958 18.801 -8.369 1.00 0.00 N ATOM 0 H LYS A 21 -8.001 15.808 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.106 13.770 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.132 15.260 -10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.643 15.950 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.784 17.345 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.309 16.625 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.077 17.484 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.553 18.239 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.152 19.879 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.657 19.636 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.560 19.664 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.594 18.343 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.186 18.148 -8.615 1.00 0.00 H new ATOM 336 N PRO A 22 -5.624 12.683 -8.791 1.00 0.00 N ATOM 337 CA PRO A 22 -4.796 12.016 -7.785 1.00 0.00 C ATOM 338 C PRO A 22 -3.313 12.338 -7.942 1.00 0.00 C ATOM 339 O PRO A 22 -2.807 12.446 -9.059 1.00 0.00 O ATOM 340 CB PRO A 22 -5.057 10.537 -8.057 1.00 0.00 C ATOM 341 CG PRO A 22 -5.323 10.467 -9.522 1.00 0.00 C ATOM 342 CD PRO A 22 -5.984 11.770 -9.897 1.00 0.00 C ATOM 0 HA PRO A 22 -5.042 12.332 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.198 9.925 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.908 10.172 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.396 10.327 -10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.968 9.621 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.621 12.141 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.065 11.658 -9.987 1.00 0.00 H new ATOM 350 N CYS A 23 -2.621 12.490 -6.815 1.00 0.00 N ATOM 351 CA CYS A 23 -1.194 12.799 -6.829 1.00 0.00 C ATOM 352 C CYS A 23 -0.362 11.541 -6.601 1.00 0.00 C ATOM 353 O CYS A 23 0.668 11.341 -7.247 1.00 0.00 O ATOM 354 CB CYS A 23 -0.865 13.845 -5.761 1.00 0.00 C ATOM 355 SG CYS A 23 -1.213 13.311 -4.069 1.00 0.00 S ATOM 0 H CYS A 23 -3.025 12.404 -5.882 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.946 13.203 -7.810 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.190 14.107 -5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.434 14.751 -5.968 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.461 12.960 -3.973 1.00 0.00 H new ATOM 361 N CYS A 24 -0.816 10.695 -5.681 1.00 0.00 N ATOM 362 CA CYS A 24 -0.113 9.454 -5.372 1.00 0.00 C ATOM 363 C CYS A 24 -1.079 8.272 -5.346 1.00 0.00 C ATOM 364 O CYS A 24 -1.207 7.548 -6.334 1.00 0.00 O ATOM 365 CB CYS A 24 0.615 9.572 -4.031 1.00 0.00 C ATOM 366 SG CYS A 24 1.856 10.886 -3.981 1.00 0.00 S ATOM 0 H CYS A 24 -1.666 10.846 -5.137 1.00 0.00 H new ATOM 0 HA CYS A 24 0.623 9.277 -6.157 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.119 9.750 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.098 8.621 -3.807 1.00 0.00 H new ATOM 0 HG CYS A 24 2.070 11.234 -2.747 1.00 0.00 H new ATOM 372 N VAL A 25 -1.759 8.085 -4.212 1.00 0.00 N ATOM 373 CA VAL A 25 -2.719 6.991 -4.058 1.00 0.00 C ATOM 374 C VAL A 25 -2.035 5.629 -4.172 1.00 0.00 C ATOM 375 O VAL A 25 -0.969 5.503 -4.773 1.00 0.00 O ATOM 376 CB VAL A 25 -3.844 7.080 -5.112 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.918 6.031 -4.854 1.00 0.00 C ATOM 378 CG2 VAL A 25 -4.447 8.476 -5.132 1.00 0.00 C ATOM 0 H VAL A 25 -1.662 8.677 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.152 7.090 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.409 6.880 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.698 6.115 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.474 5.037 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.351 6.189 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.238 8.520 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.862 8.707 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.673 9.203 -5.379 1.00 0.00 H new ATOM 388 N CYS A 26 -2.657 4.613 -3.584 1.00 0.00 N ATOM 389 CA CYS A 26 -2.116 3.259 -3.618 1.00 0.00 C ATOM 390 C CYS A 26 -2.869 2.395 -4.625 1.00 0.00 C ATOM 391 O CYS A 26 -4.086 2.230 -4.532 1.00 0.00 O ATOM 392 CB CYS A 26 -2.184 2.624 -2.230 1.00 0.00 C ATOM 393 SG CYS A 26 -0.733 2.950 -1.203 1.00 0.00 S ATOM 0 H CYS A 26 -3.538 4.702 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.073 3.320 -3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.071 2.993 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.304 1.546 -2.340 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.302 1.834 -0.694 1.00 0.00 H new ATOM 399 N LYS A 27 -2.133 1.844 -5.585 1.00 0.00 N ATOM 400 CA LYS A 27 -2.722 0.998 -6.615 1.00 0.00 C ATOM 401 C LYS A 27 -2.998 -0.419 -6.097 1.00 0.00 C ATOM 402 O LYS A 27 -4.102 -0.935 -6.273 1.00 0.00 O ATOM 403 CB LYS A 27 -1.812 0.941 -7.847 1.00 0.00 C ATOM 404 CG LYS A 27 -1.630 2.287 -8.530 1.00 0.00 C ATOM 405 CD LYS A 27 -0.784 2.164 -9.787 1.00 0.00 C ATOM 406 CE LYS A 27 -0.684 3.491 -10.521 1.00 0.00 C ATOM 407 NZ LYS A 27 -0.013 4.534 -9.696 1.00 0.00 N ATOM 0 H LYS A 27 -1.124 1.969 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.677 1.442 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.836 0.558 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.228 0.232 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.605 2.701 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.158 2.986 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.215 1.817 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.218 1.413 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.131 3.351 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.683 3.831 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.188 5.367 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.636 4.808 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.878 4.156 -9.316 1.00 0.00 H new ATOM 421 N PRO A 28 -2.008 -1.078 -5.450 1.00 0.00 N ATOM 422 CA PRO A 28 -2.186 -2.438 -4.927 1.00 0.00 C ATOM 423 C PRO A 28 -3.220 -2.505 -3.807 1.00 0.00 C ATOM 424 O PRO A 28 -3.976 -3.472 -3.707 1.00 0.00 O ATOM 425 CB PRO A 28 -0.799 -2.811 -4.396 1.00 0.00 C ATOM 426 CG PRO A 28 -0.135 -1.508 -4.127 1.00 0.00 C ATOM 427 CD PRO A 28 -0.651 -0.564 -5.176 1.00 0.00 C ATOM 0 HA PRO A 28 -2.557 -3.116 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.870 -3.413 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.240 -3.397 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.371 -1.148 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.949 -1.602 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.675 0.465 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.028 -0.575 -6.070 1.00 0.00 H new ATOM 435 N GLU A 29 -3.250 -1.474 -2.968 1.00 0.00 N ATOM 436 CA GLU A 29 -4.190 -1.418 -1.859 1.00 0.00 C ATOM 437 C GLU A 29 -5.631 -1.409 -2.360 1.00 0.00 C ATOM 438 O GLU A 29 -6.533 -1.917 -1.693 1.00 0.00 O ATOM 439 CB GLU A 29 -3.918 -0.174 -1.015 1.00 0.00 C ATOM 440 CG GLU A 29 -2.851 -0.375 0.052 1.00 0.00 C ATOM 441 CD GLU A 29 -1.541 -0.886 -0.520 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.382 -2.121 -0.625 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.676 -0.053 -0.859 1.00 0.00 O ATOM 0 H GLU A 29 -2.632 -0.666 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.053 -2.309 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.612 0.640 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.845 0.137 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.674 0.570 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.217 -1.080 0.798 1.00 0.00 H new ATOM 450 N LYS A 30 -5.842 -0.830 -3.538 1.00 0.00 N ATOM 451 CA LYS A 30 -7.176 -0.757 -4.126 1.00 0.00 C ATOM 452 C LYS A 30 -7.623 -2.129 -4.621 1.00 0.00 C ATOM 453 O LYS A 30 -8.780 -2.511 -4.453 1.00 0.00 O ATOM 454 CB LYS A 30 -7.199 0.247 -5.281 1.00 0.00 C ATOM 455 CG LYS A 30 -8.563 0.377 -5.945 1.00 0.00 C ATOM 456 CD LYS A 30 -8.543 1.396 -7.075 1.00 0.00 C ATOM 457 CE LYS A 30 -8.332 2.809 -6.551 1.00 0.00 C ATOM 458 NZ LYS A 30 -9.396 3.209 -5.591 1.00 0.00 N ATOM 0 H LYS A 30 -5.108 -0.405 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.868 -0.422 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.890 1.224 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.467 -0.055 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.872 -0.593 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.303 0.672 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.748 1.145 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.482 1.348 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.360 2.874 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.316 3.508 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.938 4.005 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.034 2.405 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.961 3.498 -4.691 1.00 0.00 H new ATOM 472 N GLU A 31 -6.700 -2.861 -5.236 1.00 0.00 N ATOM 473 CA GLU A 31 -6.999 -4.191 -5.752 1.00 0.00 C ATOM 474 C GLU A 31 -7.344 -5.143 -4.614 1.00 0.00 C ATOM 475 O GLU A 31 -8.338 -5.869 -4.677 1.00 0.00 O ATOM 476 CB GLU A 31 -5.808 -4.734 -6.545 1.00 0.00 C ATOM 477 CG GLU A 31 -6.052 -6.109 -7.148 1.00 0.00 C ATOM 478 CD GLU A 31 -7.223 -6.126 -8.110 1.00 0.00 C ATOM 479 OE1 GLU A 31 -8.361 -6.373 -7.657 1.00 0.00 O ATOM 480 OE2 GLU A 31 -7.002 -5.890 -9.318 1.00 0.00 O ATOM 0 H GLU A 31 -5.739 -2.555 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.860 -4.114 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.565 -4.034 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.938 -4.783 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.153 -6.437 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.235 -6.825 -6.347 1.00 0.00 H new ATOM 487 N GLU A 32 -6.515 -5.137 -3.575 1.00 0.00 N ATOM 488 CA GLU A 32 -6.732 -5.995 -2.418 1.00 0.00 C ATOM 489 C GLU A 32 -8.052 -5.652 -1.736 1.00 0.00 C ATOM 490 O GLU A 32 -8.826 -6.541 -1.375 1.00 0.00 O ATOM 491 CB GLU A 32 -5.575 -5.853 -1.426 1.00 0.00 C ATOM 492 CG GLU A 32 -4.224 -6.228 -2.013 1.00 0.00 C ATOM 493 CD GLU A 32 -3.091 -6.067 -1.019 1.00 0.00 C ATOM 494 OE1 GLU A 32 -2.624 -4.924 -0.832 1.00 0.00 O ATOM 495 OE2 GLU A 32 -2.670 -7.084 -0.427 1.00 0.00 O ATOM 0 H GLU A 32 -5.686 -4.546 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.777 -7.029 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.535 -4.823 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.772 -6.482 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.256 -7.262 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.027 -5.607 -2.887 1.00 0.00 H new ATOM 502 N ARG A 33 -8.305 -4.357 -1.569 1.00 0.00 N ATOM 503 CA ARG A 33 -9.532 -3.892 -0.936 1.00 0.00 C ATOM 504 C ARG A 33 -10.754 -4.383 -1.704 1.00 0.00 C ATOM 505 O ARG A 33 -11.638 -5.023 -1.137 1.00 0.00 O ATOM 506 CB ARG A 33 -9.547 -2.364 -0.857 1.00 0.00 C ATOM 507 CG ARG A 33 -10.763 -1.803 -0.137 1.00 0.00 C ATOM 508 CD ARG A 33 -10.853 -0.294 -0.291 1.00 0.00 C ATOM 509 NE ARG A 33 -11.034 0.101 -1.685 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.583 1.253 -2.062 1.00 0.00 C ATOM 511 NH1 ARG A 33 -11.995 2.124 -1.151 1.00 0.00 N ATOM 512 NH2 ARG A 33 -11.720 1.534 -3.350 1.00 0.00 N ATOM 0 H ARG A 33 -7.675 -3.611 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.567 -4.299 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.645 -2.026 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.513 -1.956 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.667 -2.265 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.711 -2.060 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.685 0.083 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.946 0.166 0.102 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.722 -0.543 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.891 1.912 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.415 3.006 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.404 0.867 -4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.141 2.418 -3.637 1.00 0.00 H new ATOM 526 N ASP A 34 -10.792 -4.083 -3.000 1.00 0.00 N ATOM 527 CA ASP A 34 -11.905 -4.493 -3.850 1.00 0.00 C ATOM 528 C ASP A 34 -12.140 -5.995 -3.744 1.00 0.00 C ATOM 529 O ASP A 34 -13.282 -6.456 -3.708 1.00 0.00 O ATOM 530 CB ASP A 34 -11.634 -4.106 -5.305 1.00 0.00 C ATOM 531 CG ASP A 34 -12.787 -4.461 -6.224 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.736 -3.655 -6.323 1.00 0.00 O ATOM 533 OD2 ASP A 34 -12.740 -5.542 -6.846 1.00 0.00 O ATOM 0 H ASP A 34 -10.064 -3.557 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.802 -3.977 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.444 -3.034 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.731 -4.609 -5.649 1.00 0.00 H new ATOM 538 N THR A 35 -11.051 -6.756 -3.690 1.00 0.00 N ATOM 539 CA THR A 35 -11.139 -8.205 -3.577 1.00 0.00 C ATOM 540 C THR A 35 -11.731 -8.608 -2.229 1.00 0.00 C ATOM 541 O THR A 35 -12.419 -9.622 -2.120 1.00 0.00 O ATOM 542 CB THR A 35 -9.758 -8.866 -3.746 1.00 0.00 C ATOM 543 OG1 THR A 35 -9.200 -8.515 -5.018 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.861 -10.381 -3.637 1.00 0.00 C ATOM 0 H THR A 35 -10.099 -6.392 -3.723 1.00 0.00 H new ATOM 0 HA THR A 35 -11.793 -8.552 -4.377 1.00 0.00 H new ATOM 0 HB THR A 35 -9.109 -8.504 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.871 -7.592 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.872 -10.823 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.259 -10.649 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.526 -10.757 -4.415 1.00 0.00 H new ATOM 552 N CYS A 36 -11.458 -7.803 -1.204 1.00 0.00 N ATOM 553 CA CYS A 36 -11.966 -8.071 0.137 1.00 0.00 C ATOM 554 C CYS A 36 -13.478 -7.859 0.201 1.00 0.00 C ATOM 555 O CYS A 36 -14.217 -8.734 0.650 1.00 0.00 O ATOM 556 CB CYS A 36 -11.272 -7.167 1.160 1.00 0.00 C ATOM 557 SG CYS A 36 -11.881 -7.363 2.851 1.00 0.00 S ATOM 0 H CYS A 36 -10.888 -6.960 -1.278 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.751 -9.113 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.202 -7.373 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.401 -6.128 0.857 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.233 -6.560 3.641 1.00 0.00 H new ATOM 563 N ILE A 37 -13.927 -6.692 -0.250 1.00 0.00 N ATOM 564 CA ILE A 37 -15.347 -6.361 -0.245 1.00 0.00 C ATOM 565 C ILE A 37 -16.140 -7.329 -1.122 1.00 0.00 C ATOM 566 O ILE A 37 -17.278 -7.673 -0.809 1.00 0.00 O ATOM 567 CB ILE A 37 -15.591 -4.908 -0.722 1.00 0.00 C ATOM 568 CG1 ILE A 37 -15.204 -3.910 0.375 1.00 0.00 C ATOM 569 CG2 ILE A 37 -17.044 -4.703 -1.131 1.00 0.00 C ATOM 570 CD1 ILE A 37 -13.713 -3.808 0.613 1.00 0.00 C ATOM 0 H ILE A 37 -13.326 -5.958 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.693 -6.451 0.785 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.962 -4.732 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -15.588 -2.925 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -15.691 -4.201 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.187 -3.674 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.292 -5.384 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.694 -4.904 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.519 -3.082 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.325 -4.782 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.219 -3.486 -0.304 1.00 0.00 H new ATOM 582 N LEU A 38 -15.531 -7.766 -2.218 1.00 0.00 N ATOM 583 CA LEU A 38 -16.185 -8.694 -3.133 1.00 0.00 C ATOM 584 C LEU A 38 -16.291 -10.081 -2.503 1.00 0.00 C ATOM 585 O LEU A 38 -17.318 -10.751 -2.615 1.00 0.00 O ATOM 586 CB LEU A 38 -15.407 -8.765 -4.454 1.00 0.00 C ATOM 587 CG LEU A 38 -16.185 -9.279 -5.674 1.00 0.00 C ATOM 588 CD1 LEU A 38 -16.463 -10.770 -5.556 1.00 0.00 C ATOM 589 CD2 LEU A 38 -17.485 -8.505 -5.851 1.00 0.00 C ATOM 0 H LEU A 38 -14.588 -7.494 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.193 -8.332 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.030 -7.768 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.539 -9.408 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.566 -9.119 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.015 -11.108 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.520 -11.312 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.054 -10.960 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.020 -8.886 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.105 -8.626 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.262 -7.448 -5.996 1.00 0.00 H new ATOM 601 N PHE A 39 -15.224 -10.498 -1.830 1.00 0.00 N ATOM 602 CA PHE A 39 -15.183 -11.806 -1.184 1.00 0.00 C ATOM 603 C PHE A 39 -16.142 -11.870 0.004 1.00 0.00 C ATOM 604 O PHE A 39 -17.156 -12.568 -0.045 1.00 0.00 O ATOM 605 CB PHE A 39 -13.758 -12.122 -0.726 1.00 0.00 C ATOM 606 CG PHE A 39 -13.542 -13.566 -0.367 1.00 0.00 C ATOM 607 CD1 PHE A 39 -13.829 -14.027 0.907 1.00 0.00 C ATOM 608 CD2 PHE A 39 -13.051 -14.459 -1.306 1.00 0.00 C ATOM 609 CE1 PHE A 39 -13.632 -15.355 1.239 1.00 0.00 C ATOM 610 CE2 PHE A 39 -12.851 -15.787 -0.981 1.00 0.00 C ATOM 611 CZ PHE A 39 -13.141 -16.236 0.294 1.00 0.00 C ATOM 0 H PHE A 39 -14.373 -9.947 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 39 -15.500 -12.551 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.062 -11.846 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.518 -11.503 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.211 -13.342 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.822 -14.113 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.861 -15.703 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.469 -16.473 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.984 -17.273 0.551 1.00 0.00 H new ATOM 621 N ASN A 40 -15.817 -11.142 1.070 1.00 0.00 N ATOM 622 CA ASN A 40 -16.649 -11.127 2.271 1.00 0.00 C ATOM 623 C ASN A 40 -17.966 -10.396 2.027 1.00 0.00 C ATOM 624 O ASN A 40 -19.044 -10.976 2.165 1.00 0.00 O ATOM 625 CB ASN A 40 -15.898 -10.461 3.427 1.00 0.00 C ATOM 626 CG ASN A 40 -14.627 -11.200 3.797 1.00 0.00 C ATOM 627 OD1 ASN A 40 -14.547 -12.423 3.681 1.00 0.00 O ATOM 628 ND2 ASN A 40 -13.620 -10.457 4.247 1.00 0.00 N ATOM 0 H ASN A 40 -14.984 -10.555 1.127 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.874 -12.161 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -15.651 -9.435 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -16.551 -10.409 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.739 -10.898 4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.728 -9.446 4.328 1.00 0.00 H new ATOM 635 N GLY A 41 -17.873 -9.121 1.661 1.00 0.00 N ATOM 636 CA GLY A 41 -19.066 -8.330 1.408 1.00 0.00 C ATOM 637 C GLY A 41 -18.868 -6.864 1.742 1.00 0.00 C ATOM 638 O GLY A 41 -17.737 -6.379 1.793 1.00 0.00 O ATOM 0 H GLY A 41 -16.993 -8.621 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.347 -8.426 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.893 -8.726 1.997 1.00 0.00 H new ATOM 642 N GLN A 42 -19.970 -6.156 1.974 1.00 0.00 N ATOM 643 CA GLN A 42 -19.911 -4.736 2.305 1.00 0.00 C ATOM 644 C GLN A 42 -19.778 -4.538 3.813 1.00 0.00 C ATOM 645 O GLN A 42 -19.297 -3.502 4.273 1.00 0.00 O ATOM 646 CB GLN A 42 -21.162 -4.017 1.792 1.00 0.00 C ATOM 647 CG GLN A 42 -21.126 -2.510 2.000 1.00 0.00 C ATOM 648 CD GLN A 42 -19.992 -1.841 1.245 1.00 0.00 C ATOM 649 OE1 GLN A 42 -19.650 -2.384 0.082 1.00 0.00 O flip ATOM 650 NE2 GLN A 42 -19.436 -0.840 1.699 1.00 0.00 N flip ATOM 0 H GLN A 42 -20.913 -6.542 1.939 1.00 0.00 H new ATOM 0 HA GLN A 42 -19.033 -4.310 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -21.281 -4.226 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -22.038 -4.424 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -22.075 -2.080 1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -21.024 -2.297 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -19.731 -0.456 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -18.681 -0.395 1.177 1.00 0.00 H new ATOM 659 N ASP A 43 -20.207 -5.539 4.575 1.00 0.00 N ATOM 660 CA ASP A 43 -20.139 -5.477 6.031 1.00 0.00 C ATOM 661 C ASP A 43 -18.855 -6.120 6.545 1.00 0.00 C ATOM 662 O ASP A 43 -18.730 -6.415 7.734 1.00 0.00 O ATOM 663 CB ASP A 43 -21.356 -6.171 6.646 1.00 0.00 C ATOM 664 CG ASP A 43 -22.664 -5.550 6.192 1.00 0.00 C ATOM 665 OD1 ASP A 43 -23.192 -5.978 5.144 1.00 0.00 O ATOM 666 OD2 ASP A 43 -23.159 -4.637 6.884 1.00 0.00 O ATOM 0 H ASP A 43 -20.606 -6.403 4.208 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.139 -4.428 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.345 -7.227 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -21.290 -6.120 7.733 1.00 0.00 H new ATOM 671 N SER A 44 -17.902 -6.333 5.642 1.00 0.00 N ATOM 672 CA SER A 44 -16.625 -6.940 6.004 1.00 0.00 C ATOM 673 C SER A 44 -15.904 -6.101 7.055 1.00 0.00 C ATOM 674 O SER A 44 -15.897 -4.871 6.984 1.00 0.00 O ATOM 675 CB SER A 44 -15.742 -7.098 4.765 1.00 0.00 C ATOM 676 OG SER A 44 -15.481 -5.843 4.161 1.00 0.00 O ATOM 0 H SER A 44 -17.990 -6.094 4.654 1.00 0.00 H new ATOM 0 HA SER A 44 -16.825 -7.925 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.802 -7.574 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.232 -7.756 4.047 1.00 0.00 H new ATOM 0 HG SER A 44 -14.914 -5.971 3.372 1.00 0.00 H new ATOM 682 N GLU A 45 -15.301 -6.773 8.030 1.00 0.00 N ATOM 683 CA GLU A 45 -14.577 -6.090 9.098 1.00 0.00 C ATOM 684 C GLU A 45 -13.353 -6.895 9.522 1.00 0.00 C ATOM 685 O GLU A 45 -12.396 -6.349 10.070 1.00 0.00 O ATOM 686 CB GLU A 45 -15.497 -5.860 10.300 1.00 0.00 C ATOM 687 CG GLU A 45 -14.837 -5.095 11.437 1.00 0.00 C ATOM 688 CD GLU A 45 -15.766 -4.888 12.617 1.00 0.00 C ATOM 689 OE1 GLU A 45 -15.794 -5.761 13.511 1.00 0.00 O ATOM 690 OE2 GLU A 45 -16.463 -3.852 12.650 1.00 0.00 O ATOM 0 H GLU A 45 -15.299 -7.790 8.103 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.241 -5.125 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.381 -5.313 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.840 -6.825 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.951 -5.636 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.500 -4.125 11.070 1.00 0.00 H new ATOM 697 N LYS A 46 -13.393 -8.198 9.264 1.00 0.00 N ATOM 698 CA LYS A 46 -12.288 -9.085 9.615 1.00 0.00 C ATOM 699 C LYS A 46 -11.000 -8.658 8.918 1.00 0.00 C ATOM 700 O LYS A 46 -9.948 -8.552 9.548 1.00 0.00 O ATOM 701 CB LYS A 46 -12.628 -10.523 9.234 1.00 0.00 C ATOM 702 CG LYS A 46 -13.849 -11.069 9.955 1.00 0.00 C ATOM 703 CD LYS A 46 -14.044 -12.550 9.674 1.00 0.00 C ATOM 704 CE LYS A 46 -14.441 -12.797 8.225 1.00 0.00 C ATOM 705 NZ LYS A 46 -14.613 -14.248 7.936 1.00 0.00 N ATOM 0 H LYS A 46 -14.180 -8.664 8.812 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.134 -9.023 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.798 -10.575 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.771 -11.161 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.740 -10.912 11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.735 -10.518 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.122 -13.088 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.813 -12.949 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.371 -12.271 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.679 -12.383 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.883 -14.374 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.719 -14.747 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.358 -14.638 8.548 1.00 0.00 H new ATOM 719 N CYS A 47 -11.094 -8.417 7.614 1.00 0.00 N ATOM 720 CA CYS A 47 -9.940 -8.007 6.824 1.00 0.00 C ATOM 721 C CYS A 47 -9.984 -6.510 6.533 1.00 0.00 C ATOM 722 O CYS A 47 -9.446 -6.046 5.527 1.00 0.00 O ATOM 723 CB CYS A 47 -9.896 -8.792 5.512 1.00 0.00 C ATOM 724 SG CYS A 47 -9.832 -10.585 5.729 1.00 0.00 S ATOM 0 H CYS A 47 -11.960 -8.499 7.082 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.039 -8.219 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.776 -8.539 4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.024 -8.474 4.940 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.800 -11.162 4.565 1.00 0.00 H new ATOM 730 N LYS A 48 -10.624 -5.759 7.424 1.00 0.00 N ATOM 731 CA LYS A 48 -10.743 -4.314 7.263 1.00 0.00 C ATOM 732 C LYS A 48 -9.376 -3.643 7.335 1.00 0.00 C ATOM 733 O LYS A 48 -9.244 -2.457 7.038 1.00 0.00 O ATOM 734 CB LYS A 48 -11.659 -3.732 8.340 1.00 0.00 C ATOM 735 CG LYS A 48 -12.136 -2.321 8.038 1.00 0.00 C ATOM 736 CD LYS A 48 -12.932 -1.742 9.196 1.00 0.00 C ATOM 737 CE LYS A 48 -13.556 -0.406 8.830 1.00 0.00 C ATOM 738 NZ LYS A 48 -12.532 0.587 8.403 1.00 0.00 N ATOM 0 H LYS A 48 -11.068 -6.127 8.265 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.175 -4.121 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.526 -4.382 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.130 -3.731 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.278 -1.682 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.753 -2.329 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.715 -2.443 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.280 -1.616 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.278 -0.551 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.106 -0.015 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.986 1.333 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.087 1.010 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.806 0.112 7.829 1.00 0.00 H new ATOM 752 N GLU A 49 -8.361 -4.405 7.734 1.00 0.00 N ATOM 753 CA GLU A 49 -7.005 -3.878 7.846 1.00 0.00 C ATOM 754 C GLU A 49 -6.590 -3.168 6.562 1.00 0.00 C ATOM 755 O GLU A 49 -6.010 -2.083 6.602 1.00 0.00 O ATOM 756 CB GLU A 49 -6.019 -5.003 8.163 1.00 0.00 C ATOM 757 CG GLU A 49 -4.615 -4.508 8.474 1.00 0.00 C ATOM 758 CD GLU A 49 -4.564 -3.641 9.718 1.00 0.00 C ATOM 759 OE1 GLU A 49 -4.417 -4.200 10.825 1.00 0.00 O ATOM 760 OE2 GLU A 49 -4.670 -2.404 9.585 1.00 0.00 O ATOM 0 H GLU A 49 -8.452 -5.389 7.985 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.991 -3.155 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.392 -5.573 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.975 -5.687 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.953 -5.364 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.237 -3.940 7.624 1.00 0.00 H new ATOM 767 N PHE A 50 -6.889 -3.788 5.424 1.00 0.00 N ATOM 768 CA PHE A 50 -6.551 -3.210 4.129 1.00 0.00 C ATOM 769 C PHE A 50 -7.332 -1.919 3.899 1.00 0.00 C ATOM 770 O PHE A 50 -6.796 -0.942 3.376 1.00 0.00 O ATOM 771 CB PHE A 50 -6.844 -4.205 3.004 1.00 0.00 C ATOM 772 CG PHE A 50 -6.084 -5.495 3.124 1.00 0.00 C ATOM 773 CD1 PHE A 50 -4.729 -5.546 2.833 1.00 0.00 C ATOM 774 CD2 PHE A 50 -6.724 -6.657 3.527 1.00 0.00 C ATOM 775 CE1 PHE A 50 -4.028 -6.732 2.943 1.00 0.00 C ATOM 776 CE2 PHE A 50 -6.026 -7.845 3.639 1.00 0.00 C ATOM 777 CZ PHE A 50 -4.677 -7.882 3.347 1.00 0.00 C ATOM 0 H PHE A 50 -7.364 -4.689 5.373 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.485 -2.981 4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.912 -4.423 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.604 -3.740 2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.216 -4.650 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.779 -6.634 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.973 -6.759 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.535 -8.743 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.130 -8.809 3.434 1.00 0.00 H new ATOM 787 N ILE A 51 -8.601 -1.924 4.298 1.00 0.00 N ATOM 788 CA ILE A 51 -9.457 -0.754 4.138 1.00 0.00 C ATOM 789 C ILE A 51 -8.924 0.428 4.942 1.00 0.00 C ATOM 790 O ILE A 51 -8.640 1.488 4.387 1.00 0.00 O ATOM 791 CB ILE A 51 -10.907 -1.055 4.574 1.00 0.00 C ATOM 792 CG1 ILE A 51 -11.485 -2.194 3.732 1.00 0.00 C ATOM 793 CG2 ILE A 51 -11.769 0.195 4.450 1.00 0.00 C ATOM 794 CD1 ILE A 51 -12.827 -2.696 4.224 1.00 0.00 C ATOM 0 H ILE A 51 -9.058 -2.725 4.734 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.454 -0.498 3.079 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.902 -1.365 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.590 -1.855 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.778 -3.023 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.788 -0.034 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.363 0.981 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.773 0.533 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -13.173 -3.503 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.725 -3.067 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.550 -1.880 4.205 1.00 0.00 H new ATOM 806 N GLU A 52 -8.790 0.237 6.253 1.00 0.00 N ATOM 807 CA GLU A 52 -8.284 1.286 7.133 1.00 0.00 C ATOM 808 C GLU A 52 -6.943 1.816 6.635 1.00 0.00 C ATOM 809 O GLU A 52 -6.701 3.025 6.637 1.00 0.00 O ATOM 810 CB GLU A 52 -8.136 0.756 8.561 1.00 0.00 C ATOM 811 CG GLU A 52 -9.442 0.266 9.165 1.00 0.00 C ATOM 812 CD GLU A 52 -9.281 -0.214 10.595 1.00 0.00 C ATOM 813 OE1 GLU A 52 -8.977 -1.411 10.788 1.00 0.00 O ATOM 814 OE2 GLU A 52 -9.459 0.605 11.520 1.00 0.00 O ATOM 0 H GLU A 52 -9.025 -0.634 6.728 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.003 2.106 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.415 -0.061 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.727 1.545 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.176 1.072 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.837 -0.547 8.555 1.00 0.00 H new ATOM 821 N LYS A 53 -6.076 0.904 6.206 1.00 0.00 N ATOM 822 CA LYS A 53 -4.759 1.275 5.702 1.00 0.00 C ATOM 823 C LYS A 53 -4.884 2.141 4.452 1.00 0.00 C ATOM 824 O LYS A 53 -4.095 3.063 4.243 1.00 0.00 O ATOM 825 CB LYS A 53 -3.936 0.024 5.402 1.00 0.00 C ATOM 826 CG LYS A 53 -2.589 0.308 4.751 1.00 0.00 C ATOM 827 CD LYS A 53 -1.665 1.076 5.684 1.00 0.00 C ATOM 828 CE LYS A 53 -0.316 1.343 5.037 1.00 0.00 C ATOM 829 NZ LYS A 53 0.354 0.083 4.608 1.00 0.00 N ATOM 0 H LYS A 53 -6.263 -0.099 6.198 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.247 1.855 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.771 -0.521 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.513 -0.629 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.118 -0.632 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.740 0.881 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.130 2.022 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.523 0.509 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.450 1.995 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.325 1.874 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.357 0.273 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.279 -0.625 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.106 -0.279 3.748 1.00 0.00 H new ATOM 843 N TYR A 54 -5.881 1.839 3.628 1.00 0.00 N ATOM 844 CA TYR A 54 -6.109 2.592 2.400 1.00 0.00 C ATOM 845 C TYR A 54 -6.610 3.999 2.709 1.00 0.00 C ATOM 846 O TYR A 54 -6.210 4.965 2.060 1.00 0.00 O ATOM 847 CB TYR A 54 -7.115 1.863 1.506 1.00 0.00 C ATOM 848 CG TYR A 54 -7.396 2.577 0.203 1.00 0.00 C ATOM 849 CD1 TYR A 54 -6.523 2.470 -0.873 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.533 3.360 0.049 1.00 0.00 C ATOM 851 CE1 TYR A 54 -6.775 3.124 -2.064 1.00 0.00 C ATOM 852 CE2 TYR A 54 -8.792 4.017 -1.139 1.00 0.00 C ATOM 853 CZ TYR A 54 -7.911 3.896 -2.191 1.00 0.00 C ATOM 854 OH TYR A 54 -8.165 4.551 -3.375 1.00 0.00 O ATOM 0 H TYR A 54 -6.543 1.080 3.787 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.159 2.672 1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.738 0.864 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.050 1.739 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.633 1.866 -0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.226 3.457 0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.086 3.031 -2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.681 4.622 -1.242 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.005 5.050 -3.299 1.00 0.00 H new ATOM 864 N LYS A 55 -7.488 4.108 3.704 1.00 0.00 N ATOM 865 CA LYS A 55 -8.045 5.398 4.096 1.00 0.00 C ATOM 866 C LYS A 55 -6.949 6.335 4.596 1.00 0.00 C ATOM 867 O LYS A 55 -6.887 7.500 4.202 1.00 0.00 O ATOM 868 CB LYS A 55 -9.107 5.216 5.184 1.00 0.00 C ATOM 869 CG LYS A 55 -10.240 4.282 4.788 1.00 0.00 C ATOM 870 CD LYS A 55 -11.050 4.836 3.625 1.00 0.00 C ATOM 871 CE LYS A 55 -12.199 3.910 3.259 1.00 0.00 C ATOM 872 NZ LYS A 55 -13.003 4.441 2.125 1.00 0.00 N ATOM 0 H LYS A 55 -7.828 3.318 4.252 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.510 5.843 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.629 4.830 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.524 6.191 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.830 3.309 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.896 4.123 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.442 5.819 3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.401 4.973 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.804 2.929 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.844 3.771 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.015 4.359 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.763 5.441 1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.793 3.895 1.265 1.00 0.00 H new ATOM 886 N GLU A 56 -6.087 5.817 5.467 1.00 0.00 N ATOM 887 CA GLU A 56 -4.994 6.608 6.021 1.00 0.00 C ATOM 888 C GLU A 56 -4.029 7.049 4.927 1.00 0.00 C ATOM 889 O GLU A 56 -3.690 8.230 4.827 1.00 0.00 O ATOM 890 CB GLU A 56 -4.246 5.808 7.088 1.00 0.00 C ATOM 891 CG GLU A 56 -5.104 5.444 8.290 1.00 0.00 C ATOM 892 CD GLU A 56 -4.352 4.622 9.317 1.00 0.00 C ATOM 893 OE1 GLU A 56 -3.610 5.217 10.127 1.00 0.00 O ATOM 894 OE2 GLU A 56 -4.506 3.382 9.314 1.00 0.00 O ATOM 0 H GLU A 56 -6.125 4.855 5.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.422 7.499 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.858 4.894 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.387 6.386 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.471 6.357 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.977 4.886 7.952 1.00 0.00 H new ATOM 901 N CYS A 57 -3.584 6.096 4.109 1.00 0.00 N ATOM 902 CA CYS A 57 -2.661 6.400 3.022 1.00 0.00 C ATOM 903 C CYS A 57 -3.222 7.505 2.136 1.00 0.00 C ATOM 904 O CYS A 57 -2.499 8.414 1.729 1.00 0.00 O ATOM 905 CB CYS A 57 -2.385 5.151 2.185 1.00 0.00 C ATOM 906 SG CYS A 57 -1.226 5.424 0.824 1.00 0.00 S ATOM 0 H CYS A 57 -3.847 5.113 4.179 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.724 6.743 3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.990 4.370 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.327 4.782 1.779 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.007 4.300 0.208 1.00 0.00 H new ATOM 912 N MET A 58 -4.516 7.417 1.841 1.00 0.00 N ATOM 913 CA MET A 58 -5.179 8.418 1.015 1.00 0.00 C ATOM 914 C MET A 58 -5.121 9.780 1.693 1.00 0.00 C ATOM 915 O MET A 58 -4.791 10.784 1.064 1.00 0.00 O ATOM 916 CB MET A 58 -6.635 8.023 0.762 1.00 0.00 C ATOM 917 CG MET A 58 -6.799 6.917 -0.268 1.00 0.00 C ATOM 918 SD MET A 58 -6.232 7.411 -1.908 1.00 0.00 S ATOM 919 CE MET A 58 -7.330 8.786 -2.250 1.00 0.00 C ATOM 0 H MET A 58 -5.124 6.664 2.162 1.00 0.00 H new ATOM 0 HA MET A 58 -4.660 8.475 0.058 1.00 0.00 H new ATOM 0 HB2 MET A 58 -7.083 7.701 1.702 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.188 8.902 0.430 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.242 6.038 0.056 1.00 0.00 H new ATOM 0 HG3 MET A 58 -7.849 6.628 -0.322 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.485 8.869 -3.326 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.287 8.618 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.886 9.708 -1.876 1.00 0.00 H new ATOM 929 N LYS A 59 -5.438 9.799 2.984 1.00 0.00 N ATOM 930 CA LYS A 59 -5.421 11.032 3.761 1.00 0.00 C ATOM 931 C LYS A 59 -4.056 11.707 3.672 1.00 0.00 C ATOM 932 O LYS A 59 -3.959 12.933 3.641 1.00 0.00 O ATOM 933 CB LYS A 59 -5.765 10.735 5.222 1.00 0.00 C ATOM 934 CG LYS A 59 -5.823 11.975 6.101 1.00 0.00 C ATOM 935 CD LYS A 59 -6.120 11.624 7.552 1.00 0.00 C ATOM 936 CE LYS A 59 -7.593 11.305 7.767 1.00 0.00 C ATOM 937 NZ LYS A 59 -7.985 10.012 7.140 1.00 0.00 N ATOM 0 H LYS A 59 -5.710 8.972 3.515 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.168 11.710 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.728 10.226 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.023 10.047 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.874 12.507 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.591 12.651 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.515 10.767 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.831 12.456 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.803 11.267 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.202 12.108 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.624 9.496 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.471 10.196 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.135 9.440 6.964 1.00 0.00 H new ATOM 951 N GLY A 60 -3.004 10.894 3.629 1.00 0.00 N ATOM 952 CA GLY A 60 -1.657 11.428 3.540 1.00 0.00 C ATOM 953 C GLY A 60 -1.398 12.136 2.223 1.00 0.00 C ATOM 954 O GLY A 60 -0.888 13.256 2.206 1.00 0.00 O ATOM 0 H GLY A 60 -3.061 9.876 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.491 12.124 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.939 10.616 3.660 1.00 0.00 H new ATOM 958 N TYR A 61 -1.750 11.482 1.119 1.00 0.00 N ATOM 959 CA TYR A 61 -1.548 12.055 -0.206 1.00 0.00 C ATOM 960 C TYR A 61 -2.857 12.605 -0.770 1.00 0.00 C ATOM 961 O TYR A 61 -3.152 12.441 -1.955 1.00 0.00 O ATOM 962 CB TYR A 61 -0.972 10.998 -1.149 1.00 0.00 C ATOM 963 CG TYR A 61 0.211 10.256 -0.570 1.00 0.00 C ATOM 964 CD1 TYR A 61 1.481 10.816 -0.581 1.00 0.00 C ATOM 965 CD2 TYR A 61 0.055 8.994 -0.009 1.00 0.00 C ATOM 966 CE1 TYR A 61 2.564 10.140 -0.050 1.00 0.00 C ATOM 967 CE2 TYR A 61 1.131 8.312 0.524 1.00 0.00 C ATOM 968 CZ TYR A 61 2.384 8.889 0.501 1.00 0.00 C ATOM 969 OH TYR A 61 3.459 8.212 1.032 1.00 0.00 O ATOM 0 H TYR A 61 -2.176 10.555 1.117 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.842 12.881 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.754 10.281 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.670 11.478 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.626 11.796 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.924 8.539 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.546 10.590 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.992 7.332 0.957 1.00 0.00 H new ATOM 0 HH TYR A 61 3.161 7.346 1.380 1.00 0.00 H new ATOM 979 N GLY A 62 -3.637 13.261 0.084 1.00 0.00 N ATOM 980 CA GLY A 62 -4.903 13.824 -0.350 1.00 0.00 C ATOM 981 C GLY A 62 -5.967 12.765 -0.562 1.00 0.00 C ATOM 982 O GLY A 62 -6.011 12.123 -1.611 1.00 0.00 O ATOM 0 H GLY A 62 -3.415 13.413 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.252 14.541 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.753 14.375 -1.279 1.00 0.00 H new ATOM 986 N PHE A 63 -6.826 12.581 0.436 1.00 0.00 N ATOM 987 CA PHE A 63 -7.890 11.587 0.356 1.00 0.00 C ATOM 988 C PHE A 63 -8.943 11.988 -0.673 1.00 0.00 C ATOM 989 O PHE A 63 -9.185 13.174 -0.899 1.00 0.00 O ATOM 990 CB PHE A 63 -8.543 11.393 1.724 1.00 0.00 C ATOM 991 CG PHE A 63 -9.170 12.639 2.275 1.00 0.00 C ATOM 992 CD1 PHE A 63 -8.423 13.530 3.024 1.00 0.00 C ATOM 993 CD2 PHE A 63 -10.505 12.914 2.045 1.00 0.00 C ATOM 994 CE1 PHE A 63 -8.999 14.678 3.537 1.00 0.00 C ATOM 995 CE2 PHE A 63 -11.089 14.059 2.553 1.00 0.00 C ATOM 996 CZ PHE A 63 -10.334 14.943 3.300 1.00 0.00 C ATOM 0 H PHE A 63 -6.806 13.107 1.309 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.443 10.645 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.305 10.617 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.792 11.033 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.379 13.327 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.099 12.226 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.406 15.366 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -12.133 14.262 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.787 15.839 3.698 1.00 0.00 H new ATOM 1006 N GLU A 64 -9.563 10.990 -1.293 1.00 0.00 N ATOM 1007 CA GLU A 64 -10.592 11.230 -2.297 1.00 0.00 C ATOM 1008 C GLU A 64 -11.803 10.333 -2.057 1.00 0.00 C ATOM 1009 O GLU A 64 -12.870 10.549 -2.631 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.030 10.993 -3.699 1.00 0.00 C ATOM 1011 CG GLU A 64 -8.873 11.912 -4.054 1.00 0.00 C ATOM 1012 CD GLU A 64 -8.300 11.625 -5.429 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -8.786 12.224 -6.411 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -7.365 10.803 -5.524 1.00 0.00 O ATOM 0 H GLU A 64 -9.370 10.004 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.912 12.269 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.698 9.958 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.828 11.129 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.211 12.947 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.086 11.805 -3.307 1.00 0.00 H new ATOM 1021 N VAL A 65 -11.626 9.328 -1.204 1.00 0.00 N ATOM 1022 CA VAL A 65 -12.701 8.398 -0.883 1.00 0.00 C ATOM 1023 C VAL A 65 -13.418 8.813 0.406 1.00 0.00 C ATOM 1024 O VAL A 65 -12.771 9.158 1.395 1.00 0.00 O ATOM 1025 CB VAL A 65 -12.168 6.957 -0.733 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -11.191 6.856 0.428 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -13.315 5.974 -0.562 1.00 0.00 C ATOM 0 H VAL A 65 -10.747 9.138 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.410 8.426 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.632 6.699 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.830 5.831 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.348 7.524 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.694 7.141 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.917 4.965 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.886 6.232 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.966 6.019 -1.435 1.00 0.00 H new ATOM 1037 N PRO A 66 -14.767 8.799 0.411 1.00 0.00 N ATOM 1038 CA PRO A 66 -15.553 9.176 1.593 1.00 0.00 C ATOM 1039 C PRO A 66 -15.213 8.326 2.813 1.00 0.00 C ATOM 1040 O PRO A 66 -15.224 7.096 2.746 1.00 0.00 O ATOM 1041 CB PRO A 66 -17.003 8.933 1.162 1.00 0.00 C ATOM 1042 CG PRO A 66 -16.973 8.966 -0.327 1.00 0.00 C ATOM 1043 CD PRO A 66 -15.631 8.422 -0.723 1.00 0.00 C ATOM 0 HA PRO A 66 -15.354 10.204 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.368 7.974 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.667 9.700 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.778 8.364 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.108 9.982 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.660 7.342 -0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.280 8.857 -1.659 1.00 0.00 H new ATOM 1051 N SER A 67 -14.912 8.989 3.924 1.00 0.00 N ATOM 1052 CA SER A 67 -14.570 8.295 5.161 1.00 0.00 C ATOM 1053 C SER A 67 -15.244 8.955 6.359 1.00 0.00 C ATOM 1054 O SER A 67 -15.304 8.373 7.444 1.00 0.00 O ATOM 1055 CB SER A 67 -13.053 8.280 5.361 1.00 0.00 C ATOM 1056 OG SER A 67 -12.536 9.597 5.438 1.00 0.00 O ATOM 0 H SER A 67 -14.898 10.007 3.994 1.00 0.00 H new ATOM 0 HA SER A 67 -14.930 7.269 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.809 7.736 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.579 7.748 4.536 1.00 0.00 H new ATOM 0 HG SER A 67 -11.565 9.560 5.568 1.00 0.00 H new ATOM 1062 N ALA A 68 -15.748 10.170 6.151 1.00 0.00 N ATOM 1063 CA ALA A 68 -16.421 10.925 7.207 1.00 0.00 C ATOM 1064 C ALA A 68 -15.457 11.283 8.336 1.00 0.00 C ATOM 1065 O ALA A 68 -14.673 10.449 8.787 1.00 0.00 O ATOM 1066 CB ALA A 68 -17.610 10.142 7.749 1.00 0.00 C ATOM 0 H ALA A 68 -15.703 10.655 5.255 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.785 11.856 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -18.099 10.719 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -18.319 9.953 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -17.264 9.193 8.158 1.00 0.00 H new ATOM 1072 N ASN A 69 -15.525 12.530 8.788 1.00 0.00 N ATOM 1073 CA ASN A 69 -14.660 13.002 9.863 1.00 0.00 C ATOM 1074 C ASN A 69 -15.135 12.475 11.214 1.00 0.00 C ATOM 1075 O ASN A 69 -15.994 13.131 11.837 1.00 0.00 O ATOM 1076 CB ASN A 69 -14.621 14.533 9.883 1.00 0.00 C ATOM 1077 CG ASN A 69 -13.853 15.117 8.711 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -13.849 14.412 7.583 1.00 0.00 O flip ATOM 1079 ND2 ASN A 69 -13.268 16.195 8.817 1.00 0.00 N flip ATOM 1080 OXT ASN A 69 -14.642 11.407 11.636 1.00 0.00 O ATOM 0 H ASN A 69 -16.170 13.233 8.427 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.654 12.624 9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -15.641 14.918 9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.164 14.868 10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.295 16.705 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.756 16.578 8.022 1.00 0.00 H new TER 1087 ASN A 69