USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.372 K(o=0.76,f=-2.1) USER MOD Set 1.3: A 101 ASN : amide:sc= 0.386 K(o=0.76,f=-1.3) USER MOD Set 2.1: A 87 SER OG : rot 27:sc= 1.14 USER MOD Set 2.2: A 91 LYS NZ :NH3+ -166:sc= 1.04 (180deg=-0.0366) USER MOD Set 3.1: A 29 CYS SG : rot 159:sc= 0.178 USER MOD Set 3.2: A 32 CYS SG : rot 69:sc= -0.195 USER MOD Set 4.1: A 7 THR OG1 : rot 106:sc= 1.19 USER MOD Set 4.2: A 9 GLN : amide:sc= 0.614 K(o=1.8,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.743 (180deg=0.458) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 16 SER OG : rot 100:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 0.928 (180deg=0.789) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0.579 (180deg=0.573) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 3.55 (180deg=3.38) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.15) USER MOD Single : A 60 ASN : amide:sc= 0.869 K(o=0.87,f=-7.5!) USER MOD Single : A 61 GLN : amide:sc= -0.579! C(o=-0.58!,f=-1.2!) USER MOD Single : A 63 THR OG1 : rot -37:sc= 0.977 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.2) USER MOD Single : A 67 TYR OH : rot -141:sc= 0.432 USER MOD Single : A 70 MET CE :methyl 180:sc=-0.000113 (180deg=-0.000113) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 117:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 2.12 (180deg=1.23) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.07) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.464 0.075 -0.010 1.00 0.00 N ATOM 2 CA MET A 1 2.179 -0.176 -1.442 1.00 0.00 C ATOM 3 C MET A 1 2.177 -1.683 -1.712 1.00 0.00 C ATOM 4 O MET A 1 3.232 -2.287 -1.932 1.00 0.00 O ATOM 5 CB MET A 1 3.146 0.574 -2.384 1.00 0.00 C ATOM 6 CG MET A 1 2.901 2.089 -2.439 1.00 0.00 C ATOM 7 SD MET A 1 3.370 3.057 -0.978 1.00 0.00 S ATOM 8 CE MET A 1 2.814 4.691 -1.538 1.00 0.00 C ATOM 0 H1 MET A 1 2.829 1.042 0.107 1.00 0.00 H new ATOM 0 H2 MET A 1 1.590 -0.034 0.542 1.00 0.00 H new ATOM 0 H3 MET A 1 3.174 -0.606 0.327 1.00 0.00 H new ATOM 0 HA MET A 1 1.188 0.223 -1.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.170 0.392 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.052 0.163 -3.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.442 2.488 -3.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.840 2.253 -2.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.020 5.430 -0.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.345 4.963 -2.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.743 4.662 -1.737 1.00 0.00 H new ATOM 20 N ALA A 2 0.993 -2.300 -1.648 1.00 0.00 N ATOM 21 CA ALA A 2 0.728 -3.661 -2.093 1.00 0.00 C ATOM 22 C ALA A 2 -0.773 -3.772 -2.352 1.00 0.00 C ATOM 23 O ALA A 2 -1.586 -3.220 -1.603 1.00 0.00 O ATOM 24 CB ALA A 2 1.142 -4.689 -1.034 1.00 0.00 C ATOM 0 H ALA A 2 0.164 -1.842 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 2 1.306 -3.869 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.930 -5.694 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.209 -4.594 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.582 -4.511 -0.116 1.00 0.00 H new ATOM 30 N ILE A 3 -1.130 -4.514 -3.396 1.00 0.00 N ATOM 31 CA ILE A 3 -2.511 -4.830 -3.737 1.00 0.00 C ATOM 32 C ILE A 3 -2.988 -5.917 -2.760 1.00 0.00 C ATOM 33 O ILE A 3 -2.184 -6.695 -2.236 1.00 0.00 O ATOM 34 CB ILE A 3 -2.567 -5.245 -5.229 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.080 -4.051 -6.089 1.00 0.00 C ATOM 36 CG2 ILE A 3 -3.971 -5.706 -5.668 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.947 -4.350 -7.577 1.00 0.00 C ATOM 0 H ILE A 3 -0.452 -4.920 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.185 -3.980 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.914 -6.106 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.774 -3.221 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.113 -3.719 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.950 -5.984 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.274 -6.566 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.683 -4.894 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.601 -3.457 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.229 -5.157 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.916 -4.650 -7.976 1.00 0.00 H new ATOM 49 N VAL A 4 -4.296 -5.982 -2.522 1.00 0.00 N ATOM 50 CA VAL A 4 -4.935 -6.871 -1.560 1.00 0.00 C ATOM 51 C VAL A 4 -5.955 -7.710 -2.342 1.00 0.00 C ATOM 52 O VAL A 4 -6.271 -7.411 -3.497 1.00 0.00 O ATOM 53 CB VAL A 4 -5.536 -6.013 -0.413 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.121 -6.843 0.743 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.490 -5.059 0.198 1.00 0.00 C ATOM 0 H VAL A 4 -4.965 -5.392 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.246 -7.563 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.341 -5.457 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.521 -6.174 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.919 -7.482 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.337 -7.462 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.951 -4.477 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.661 -5.639 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.118 -4.385 -0.574 1.00 0.00 H new ATOM 65 N LYS A 5 -6.478 -8.773 -1.735 1.00 0.00 N ATOM 66 CA LYS A 5 -7.515 -9.629 -2.307 1.00 0.00 C ATOM 67 C LYS A 5 -8.571 -9.815 -1.228 1.00 0.00 C ATOM 68 O LYS A 5 -8.217 -9.915 -0.050 1.00 0.00 O ATOM 69 CB LYS A 5 -6.922 -10.990 -2.713 1.00 0.00 C ATOM 70 CG LYS A 5 -6.013 -10.923 -3.955 1.00 0.00 C ATOM 71 CD LYS A 5 -4.676 -11.659 -3.783 1.00 0.00 C ATOM 72 CE LYS A 5 -3.761 -10.908 -2.802 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.442 -11.574 -2.645 1.00 0.00 N ATOM 0 H LYS A 5 -6.184 -9.071 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.944 -9.179 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.350 -11.392 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.736 -11.688 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.544 -11.348 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.814 -9.878 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.857 -12.670 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.181 -11.753 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.611 -9.888 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.250 -10.840 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.858 -11.034 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.581 -12.539 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.962 -11.616 -3.567 1.00 0.00 H new ATOM 87 N ALA A 6 -9.843 -9.873 -1.615 1.00 0.00 N ATOM 88 CA ALA A 6 -10.942 -10.148 -0.699 1.00 0.00 C ATOM 89 C ALA A 6 -12.021 -10.972 -1.400 1.00 0.00 C ATOM 90 O ALA A 6 -11.990 -11.145 -2.620 1.00 0.00 O ATOM 91 CB ALA A 6 -11.519 -8.833 -0.159 1.00 0.00 C ATOM 0 H ALA A 6 -10.140 -9.729 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.566 -10.728 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.340 -9.049 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.740 -8.284 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.887 -8.229 -0.989 1.00 0.00 H new ATOM 97 N THR A 7 -12.985 -11.458 -0.622 1.00 0.00 N ATOM 98 CA THR A 7 -14.124 -12.229 -1.092 1.00 0.00 C ATOM 99 C THR A 7 -15.375 -11.675 -0.404 1.00 0.00 C ATOM 100 O THR A 7 -15.246 -10.843 0.499 1.00 0.00 O ATOM 101 CB THR A 7 -13.891 -13.727 -0.800 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.699 -13.956 0.581 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.671 -14.301 -1.526 1.00 0.00 C ATOM 0 H THR A 7 -12.991 -11.319 0.388 1.00 0.00 H new ATOM 0 HA THR A 7 -14.256 -12.141 -2.170 1.00 0.00 H new ATOM 0 HB THR A 7 -14.790 -14.226 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.501 -14.374 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.564 -15.357 -1.278 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.804 -14.193 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.776 -13.762 -1.215 1.00 0.00 H new ATOM 111 N ASP A 8 -16.575 -12.132 -0.766 1.00 0.00 N ATOM 112 CA ASP A 8 -17.844 -11.637 -0.212 1.00 0.00 C ATOM 113 C ASP A 8 -17.863 -11.612 1.321 1.00 0.00 C ATOM 114 O ASP A 8 -18.508 -10.763 1.936 1.00 0.00 O ATOM 115 CB ASP A 8 -19.013 -12.511 -0.690 1.00 0.00 C ATOM 116 CG ASP A 8 -20.347 -11.792 -0.434 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.595 -10.757 -1.098 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.145 -12.263 0.409 1.00 0.00 O ATOM 0 H ASP A 8 -16.698 -12.867 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.947 -10.613 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.905 -12.727 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.000 -13.467 -0.167 1.00 0.00 H new ATOM 123 N GLN A 9 -17.126 -12.545 1.928 1.00 0.00 N ATOM 124 CA GLN A 9 -16.994 -12.733 3.362 1.00 0.00 C ATOM 125 C GLN A 9 -16.322 -11.539 4.060 1.00 0.00 C ATOM 126 O GLN A 9 -16.671 -11.256 5.210 1.00 0.00 O ATOM 127 CB GLN A 9 -16.196 -14.023 3.628 1.00 0.00 C ATOM 128 CG GLN A 9 -16.924 -15.318 3.200 1.00 0.00 C ATOM 129 CD GLN A 9 -16.998 -15.532 1.682 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.120 -15.102 0.941 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.048 -16.158 1.175 1.00 0.00 N ATOM 0 H GLN A 9 -16.578 -13.223 1.398 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.997 -12.812 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.244 -13.963 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.967 -14.083 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.417 -16.171 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.937 -15.301 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.777 -16.515 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.129 -16.284 0.166 1.00 0.00 H new ATOM 140 N SER A 10 -15.394 -10.837 3.395 1.00 0.00 N ATOM 141 CA SER A 10 -14.547 -9.827 4.046 1.00 0.00 C ATOM 142 C SER A 10 -14.305 -8.566 3.212 1.00 0.00 C ATOM 143 O SER A 10 -13.746 -7.596 3.728 1.00 0.00 O ATOM 144 CB SER A 10 -13.205 -10.463 4.447 1.00 0.00 C ATOM 145 OG SER A 10 -13.387 -11.674 5.170 1.00 0.00 O ATOM 0 H SER A 10 -15.210 -10.952 2.398 1.00 0.00 H new ATOM 0 HA SER A 10 -15.097 -9.492 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.615 -10.660 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.637 -9.759 5.055 1.00 0.00 H new ATOM 0 HG SER A 10 -12.513 -12.049 5.406 1.00 0.00 H new ATOM 151 N PHE A 11 -14.765 -8.527 1.960 1.00 0.00 N ATOM 152 CA PHE A 11 -14.688 -7.357 1.090 1.00 0.00 C ATOM 153 C PHE A 11 -15.268 -6.125 1.785 1.00 0.00 C ATOM 154 O PHE A 11 -14.706 -5.033 1.680 1.00 0.00 O ATOM 155 CB PHE A 11 -15.438 -7.678 -0.212 1.00 0.00 C ATOM 156 CG PHE A 11 -15.465 -6.559 -1.232 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.489 -5.591 -1.198 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.476 -6.495 -2.229 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.521 -4.568 -2.162 1.00 0.00 C ATOM 160 CE2 PHE A 11 -14.517 -5.483 -3.199 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.544 -4.521 -3.169 1.00 0.00 C ATOM 0 H PHE A 11 -15.212 -9.328 1.514 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.648 -7.126 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.980 -8.555 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.465 -7.947 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.249 -5.635 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.682 -7.227 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.297 -3.818 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.761 -5.442 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.580 -3.747 -3.921 1.00 0.00 H new ATOM 171 N SER A 12 -16.356 -6.297 2.537 1.00 0.00 N ATOM 172 CA SER A 12 -17.037 -5.195 3.195 1.00 0.00 C ATOM 173 C SER A 12 -16.182 -4.587 4.308 1.00 0.00 C ATOM 174 O SER A 12 -16.187 -3.372 4.486 1.00 0.00 O ATOM 175 CB SER A 12 -18.391 -5.677 3.731 1.00 0.00 C ATOM 176 OG SER A 12 -19.084 -6.428 2.743 1.00 0.00 O ATOM 0 H SER A 12 -16.786 -7.207 2.704 1.00 0.00 H new ATOM 0 HA SER A 12 -17.207 -4.404 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.239 -6.289 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.994 -4.821 4.033 1.00 0.00 H new ATOM 0 HG SER A 12 -19.944 -6.728 3.104 1.00 0.00 H new ATOM 182 N ALA A 13 -15.417 -5.408 5.034 1.00 0.00 N ATOM 183 CA ALA A 13 -14.494 -4.919 6.043 1.00 0.00 C ATOM 184 C ALA A 13 -13.343 -4.177 5.362 1.00 0.00 C ATOM 185 O ALA A 13 -12.986 -3.072 5.770 1.00 0.00 O ATOM 186 CB ALA A 13 -13.970 -6.085 6.889 1.00 0.00 C ATOM 0 H ALA A 13 -15.425 -6.423 4.934 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.012 -4.228 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.279 -5.706 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.806 -6.582 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.452 -6.797 6.246 1.00 0.00 H new ATOM 192 N GLU A 14 -12.783 -4.769 4.303 1.00 0.00 N ATOM 193 CA GLU A 14 -11.612 -4.234 3.620 1.00 0.00 C ATOM 194 C GLU A 14 -11.902 -2.881 2.978 1.00 0.00 C ATOM 195 O GLU A 14 -11.027 -2.015 2.979 1.00 0.00 O ATOM 196 CB GLU A 14 -11.113 -5.227 2.559 1.00 0.00 C ATOM 197 CG GLU A 14 -10.435 -6.448 3.195 1.00 0.00 C ATOM 198 CD GLU A 14 -9.115 -6.134 3.930 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.499 -5.074 3.674 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.687 -6.956 4.772 1.00 0.00 O ATOM 0 H GLU A 14 -13.134 -5.636 3.897 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.833 -4.087 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.952 -5.556 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.409 -4.726 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.128 -6.907 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.237 -7.185 2.417 1.00 0.00 H new ATOM 207 N THR A 15 -13.118 -2.681 2.467 1.00 0.00 N ATOM 208 CA THR A 15 -13.519 -1.452 1.800 1.00 0.00 C ATOM 209 C THR A 15 -13.944 -0.348 2.782 1.00 0.00 C ATOM 210 O THR A 15 -14.300 0.748 2.338 1.00 0.00 O ATOM 211 CB THR A 15 -14.587 -1.763 0.738 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.636 -2.564 1.242 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.967 -2.477 -0.470 1.00 0.00 C ATOM 0 H THR A 15 -13.859 -3.381 2.508 1.00 0.00 H new ATOM 0 HA THR A 15 -12.648 -1.040 1.290 1.00 0.00 H new ATOM 0 HB THR A 15 -15.000 -0.800 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.426 -3.510 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.743 -2.686 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.204 -1.840 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.513 -3.413 -0.146 1.00 0.00 H new ATOM 221 N SER A 16 -13.869 -0.588 4.097 1.00 0.00 N ATOM 222 CA SER A 16 -14.453 0.289 5.113 1.00 0.00 C ATOM 223 C SER A 16 -13.403 0.881 6.058 1.00 0.00 C ATOM 224 O SER A 16 -13.662 1.068 7.248 1.00 0.00 O ATOM 225 CB SER A 16 -15.588 -0.437 5.848 1.00 0.00 C ATOM 226 OG SER A 16 -16.603 -0.829 4.947 1.00 0.00 O ATOM 0 H SER A 16 -13.397 -1.404 4.486 1.00 0.00 H new ATOM 0 HA SER A 16 -14.887 1.152 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.192 -1.314 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.008 0.216 6.613 1.00 0.00 H new ATOM 0 HG SER A 16 -16.500 -1.780 4.732 1.00 0.00 H new ATOM 232 N GLU A 17 -12.214 1.187 5.533 1.00 0.00 N ATOM 233 CA GLU A 17 -11.144 1.827 6.304 1.00 0.00 C ATOM 234 C GLU A 17 -10.286 2.796 5.467 1.00 0.00 C ATOM 235 O GLU A 17 -9.212 3.207 5.912 1.00 0.00 O ATOM 236 CB GLU A 17 -10.313 0.754 7.034 1.00 0.00 C ATOM 237 CG GLU A 17 -9.729 -0.325 6.110 1.00 0.00 C ATOM 238 CD GLU A 17 -8.761 -1.274 6.836 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.983 -1.645 8.012 1.00 0.00 O ATOM 240 OE2 GLU A 17 -7.774 -1.693 6.193 1.00 0.00 O ATOM 0 H GLU A 17 -11.965 0.998 4.562 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.607 2.465 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.496 1.242 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.940 0.273 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.544 -0.906 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.207 0.156 5.283 1.00 0.00 H new ATOM 247 N GLY A 18 -10.735 3.188 4.267 1.00 0.00 N ATOM 248 CA GLY A 18 -10.024 4.157 3.440 1.00 0.00 C ATOM 249 C GLY A 18 -10.642 4.277 2.060 1.00 0.00 C ATOM 250 O GLY A 18 -11.758 3.794 1.850 1.00 0.00 O ATOM 0 H GLY A 18 -11.598 2.841 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.035 5.131 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.980 3.859 3.346 1.00 0.00 H new ATOM 254 N VAL A 19 -9.953 4.949 1.133 1.00 0.00 N ATOM 255 CA VAL A 19 -10.317 4.892 -0.279 1.00 0.00 C ATOM 256 C VAL A 19 -9.845 3.511 -0.741 1.00 0.00 C ATOM 257 O VAL A 19 -8.720 3.108 -0.426 1.00 0.00 O ATOM 258 CB VAL A 19 -9.656 6.039 -1.076 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.063 6.000 -2.559 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.053 7.417 -0.525 1.00 0.00 C ATOM 0 H VAL A 19 -9.144 5.536 1.337 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.387 5.023 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.581 5.893 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.580 6.820 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.752 5.051 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.145 6.101 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.568 8.197 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.135 7.536 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.738 7.497 0.515 1.00 0.00 H new ATOM 270 N VAL A 20 -10.676 2.772 -1.470 1.00 0.00 N ATOM 271 CA VAL A 20 -10.379 1.408 -1.873 1.00 0.00 C ATOM 272 C VAL A 20 -10.852 1.233 -3.314 1.00 0.00 C ATOM 273 O VAL A 20 -12.040 1.360 -3.606 1.00 0.00 O ATOM 274 CB VAL A 20 -11.014 0.400 -0.889 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.569 -1.019 -1.262 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.619 0.678 0.575 1.00 0.00 C ATOM 0 H VAL A 20 -11.581 3.109 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.308 1.209 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.096 0.505 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.015 -1.734 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.893 -1.247 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.483 -1.087 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.091 -0.058 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.536 0.612 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.950 1.677 0.858 1.00 0.00 H new ATOM 286 N LEU A 21 -9.915 0.956 -4.218 1.00 0.00 N ATOM 287 CA LEU A 21 -10.180 0.629 -5.609 1.00 0.00 C ATOM 288 C LEU A 21 -10.386 -0.880 -5.674 1.00 0.00 C ATOM 289 O LEU A 21 -9.424 -1.648 -5.687 1.00 0.00 O ATOM 290 CB LEU A 21 -8.983 1.075 -6.466 1.00 0.00 C ATOM 291 CG LEU A 21 -9.082 0.709 -7.960 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.260 1.409 -8.643 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.789 1.129 -8.668 1.00 0.00 C ATOM 0 H LEU A 21 -8.921 0.954 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.065 1.138 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.875 2.156 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.076 0.630 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.236 -0.368 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.293 1.123 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.190 1.114 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.137 2.489 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.853 0.872 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.650 2.205 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.943 0.609 -8.219 1.00 0.00 H new ATOM 305 N ALA A 22 -11.636 -1.320 -5.664 1.00 0.00 N ATOM 306 CA ALA A 22 -11.952 -2.706 -5.939 1.00 0.00 C ATOM 307 C ALA A 22 -11.836 -2.947 -7.441 1.00 0.00 C ATOM 308 O ALA A 22 -12.162 -2.070 -8.244 1.00 0.00 O ATOM 309 CB ALA A 22 -13.365 -3.010 -5.454 1.00 0.00 C ATOM 0 H ALA A 22 -12.446 -0.733 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.258 -3.364 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.604 -4.053 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.428 -2.829 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.074 -2.366 -5.973 1.00 0.00 H new ATOM 315 N ASP A 23 -11.437 -4.160 -7.809 1.00 0.00 N ATOM 316 CA ASP A 23 -11.328 -4.625 -9.182 1.00 0.00 C ATOM 317 C ASP A 23 -11.971 -6.004 -9.252 1.00 0.00 C ATOM 318 O ASP A 23 -11.397 -7.011 -8.818 1.00 0.00 O ATOM 319 CB ASP A 23 -9.869 -4.650 -9.648 1.00 0.00 C ATOM 320 CG ASP A 23 -9.733 -5.306 -11.033 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.604 -5.085 -11.904 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.722 -6.011 -11.248 1.00 0.00 O ATOM 0 H ASP A 23 -11.171 -4.873 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.845 -3.942 -9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.480 -3.632 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.264 -5.196 -8.924 1.00 0.00 H new ATOM 327 N PHE A 24 -13.218 -6.005 -9.715 1.00 0.00 N ATOM 328 CA PHE A 24 -13.993 -7.191 -10.011 1.00 0.00 C ATOM 329 C PHE A 24 -13.445 -7.730 -11.328 1.00 0.00 C ATOM 330 O PHE A 24 -13.545 -7.051 -12.355 1.00 0.00 O ATOM 331 CB PHE A 24 -15.486 -6.832 -10.095 1.00 0.00 C ATOM 332 CG PHE A 24 -16.079 -6.404 -8.762 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.872 -5.096 -8.279 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.786 -7.331 -7.970 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.324 -4.736 -6.999 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.246 -6.965 -6.694 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.998 -5.673 -6.201 1.00 0.00 C ATOM 0 H PHE A 24 -13.730 -5.142 -9.899 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.910 -7.952 -9.235 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.619 -6.028 -10.819 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -16.039 -7.693 -10.471 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.364 -4.369 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.975 -8.326 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.153 -3.736 -6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.791 -7.677 -6.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.326 -5.401 -5.209 1.00 0.00 H new ATOM 347 N TRP A 25 -12.844 -8.920 -11.296 1.00 0.00 N ATOM 348 CA TRP A 25 -12.086 -9.471 -12.418 1.00 0.00 C ATOM 349 C TRP A 25 -12.400 -10.956 -12.609 1.00 0.00 C ATOM 350 O TRP A 25 -13.128 -11.540 -11.804 1.00 0.00 O ATOM 351 CB TRP A 25 -10.582 -9.235 -12.200 1.00 0.00 C ATOM 352 CG TRP A 25 -9.911 -10.131 -11.202 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.106 -10.097 -9.868 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.953 -11.211 -11.432 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.385 -11.104 -9.261 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.639 -11.813 -10.176 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.306 -11.738 -12.572 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.741 -12.884 -10.057 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.390 -12.803 -12.461 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.114 -13.382 -11.211 1.00 0.00 C ATOM 0 H TRP A 25 -12.871 -9.534 -10.482 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.382 -8.958 -13.333 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.075 -9.348 -13.158 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.439 -8.202 -11.884 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.734 -9.386 -9.351 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.402 -11.299 -8.260 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.517 -11.318 -13.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.534 -13.320 -9.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.896 -13.178 -13.345 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.422 -14.208 -11.138 1.00 0.00 H new ATOM 371 N ALA A 26 -11.849 -11.564 -13.664 1.00 0.00 N ATOM 372 CA ALA A 26 -11.847 -13.006 -13.881 1.00 0.00 C ATOM 373 C ALA A 26 -10.619 -13.353 -14.737 1.00 0.00 C ATOM 374 O ALA A 26 -10.243 -12.546 -15.593 1.00 0.00 O ATOM 375 CB ALA A 26 -13.132 -13.438 -14.596 1.00 0.00 C ATOM 0 H ALA A 26 -11.380 -11.048 -14.409 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.803 -13.531 -12.927 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.117 -14.517 -14.751 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.995 -13.171 -13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.199 -12.933 -15.560 1.00 0.00 H new ATOM 381 N PRO A 27 -9.999 -14.532 -14.562 1.00 0.00 N ATOM 382 CA PRO A 27 -8.717 -14.854 -15.189 1.00 0.00 C ATOM 383 C PRO A 27 -8.829 -15.147 -16.688 1.00 0.00 C ATOM 384 O PRO A 27 -7.835 -15.032 -17.408 1.00 0.00 O ATOM 385 CB PRO A 27 -8.190 -16.068 -14.416 1.00 0.00 C ATOM 386 CG PRO A 27 -9.462 -16.765 -13.933 1.00 0.00 C ATOM 387 CD PRO A 27 -10.416 -15.601 -13.667 1.00 0.00 C ATOM 0 HA PRO A 27 -8.040 -14.001 -15.138 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.592 -16.720 -15.053 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.556 -15.768 -13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.858 -17.447 -14.685 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.282 -17.353 -13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.449 -15.891 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.363 -15.282 -12.626 1.00 0.00 H new ATOM 395 N TRP A 28 -10.014 -15.516 -17.182 1.00 0.00 N ATOM 396 CA TRP A 28 -10.236 -15.785 -18.598 1.00 0.00 C ATOM 397 C TRP A 28 -10.463 -14.496 -19.401 1.00 0.00 C ATOM 398 O TRP A 28 -10.496 -14.547 -20.632 1.00 0.00 O ATOM 399 CB TRP A 28 -11.395 -16.785 -18.745 1.00 0.00 C ATOM 400 CG TRP A 28 -12.610 -16.589 -17.880 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.255 -15.422 -17.650 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.349 -17.596 -17.118 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.347 -15.640 -16.836 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.445 -16.961 -16.460 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.201 -18.986 -16.914 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.343 -17.665 -15.642 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.095 -19.704 -16.096 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.164 -19.047 -15.461 1.00 0.00 C ATOM 0 H TRP A 28 -10.847 -15.636 -16.606 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.337 -16.233 -19.021 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.720 -16.769 -19.785 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.002 -17.783 -18.548 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.959 -14.462 -18.045 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -15.001 -14.912 -16.548 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.387 -19.508 -17.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.161 -17.151 -15.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.959 -20.766 -15.956 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.846 -19.604 -14.835 1.00 0.00 H new ATOM 419 N CYS A 29 -10.624 -13.343 -18.738 1.00 0.00 N ATOM 420 CA CYS A 29 -10.857 -12.073 -19.407 1.00 0.00 C ATOM 421 C CYS A 29 -9.496 -11.446 -19.721 1.00 0.00 C ATOM 422 O CYS A 29 -8.735 -11.127 -18.805 1.00 0.00 O ATOM 423 CB CYS A 29 -11.721 -11.182 -18.507 1.00 0.00 C ATOM 424 SG CYS A 29 -12.073 -9.607 -19.344 1.00 0.00 S ATOM 0 H CYS A 29 -10.595 -13.273 -17.721 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.398 -12.204 -20.344 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.654 -11.691 -18.265 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.206 -10.995 -17.564 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.123 -9.057 -18.810 1.00 0.00 H new ATOM 430 N GLY A 30 -9.192 -11.263 -21.009 1.00 0.00 N ATOM 431 CA GLY A 30 -7.970 -10.608 -21.470 1.00 0.00 C ATOM 432 C GLY A 30 -7.797 -9.220 -20.848 1.00 0.00 C ATOM 433 O GLY A 30 -6.802 -9.005 -20.156 1.00 0.00 O ATOM 0 H GLY A 30 -9.798 -11.571 -21.770 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.109 -11.228 -21.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.993 -10.519 -22.556 1.00 0.00 H new ATOM 437 N PRO A 31 -8.752 -8.286 -21.012 1.00 0.00 N ATOM 438 CA PRO A 31 -8.699 -6.958 -20.407 1.00 0.00 C ATOM 439 C PRO A 31 -8.387 -6.922 -18.902 1.00 0.00 C ATOM 440 O PRO A 31 -7.660 -6.028 -18.471 1.00 0.00 O ATOM 441 CB PRO A 31 -10.038 -6.307 -20.751 1.00 0.00 C ATOM 442 CG PRO A 31 -10.360 -6.912 -22.116 1.00 0.00 C ATOM 443 CD PRO A 31 -9.833 -8.341 -21.990 1.00 0.00 C ATOM 0 HA PRO A 31 -7.850 -6.408 -20.813 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.805 -6.541 -20.012 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.961 -5.221 -20.797 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.430 -6.893 -22.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.869 -6.370 -22.924 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.621 -9.020 -21.663 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.472 -8.710 -22.950 1.00 0.00 H new ATOM 451 N CYS A 32 -8.856 -7.889 -18.097 1.00 0.00 N ATOM 452 CA CYS A 32 -8.488 -7.968 -16.676 1.00 0.00 C ATOM 453 C CYS A 32 -6.975 -8.141 -16.492 1.00 0.00 C ATOM 454 O CYS A 32 -6.388 -7.574 -15.570 1.00 0.00 O ATOM 455 CB CYS A 32 -9.197 -9.139 -15.978 1.00 0.00 C ATOM 456 SG CYS A 32 -10.987 -8.874 -15.868 1.00 0.00 S ATOM 0 H CYS A 32 -9.490 -8.626 -18.406 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.803 -7.026 -16.226 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.999 -10.061 -16.524 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.786 -9.267 -14.976 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.510 -8.947 -17.056 1.00 0.00 H new ATOM 462 N LYS A 33 -6.328 -8.918 -17.361 1.00 0.00 N ATOM 463 CA LYS A 33 -4.883 -9.123 -17.318 1.00 0.00 C ATOM 464 C LYS A 33 -4.160 -7.937 -17.957 1.00 0.00 C ATOM 465 O LYS A 33 -3.078 -7.584 -17.500 1.00 0.00 O ATOM 466 CB LYS A 33 -4.529 -10.459 -17.991 1.00 0.00 C ATOM 467 CG LYS A 33 -5.085 -11.634 -17.161 1.00 0.00 C ATOM 468 CD LYS A 33 -4.936 -13.005 -17.831 1.00 0.00 C ATOM 469 CE LYS A 33 -5.802 -13.107 -19.096 1.00 0.00 C ATOM 470 NZ LYS A 33 -6.003 -14.516 -19.511 1.00 0.00 N ATOM 0 H LYS A 33 -6.793 -9.423 -18.115 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.548 -9.178 -16.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.942 -10.488 -18.999 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.447 -10.551 -18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.576 -11.656 -16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.141 -11.454 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.891 -13.174 -18.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.221 -13.788 -17.129 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.770 -12.640 -18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.329 -12.553 -19.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.365 -14.543 -20.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.097 -15.024 -19.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.689 -14.971 -18.875 1.00 0.00 H new ATOM 484 N MET A 34 -4.758 -7.273 -18.954 1.00 0.00 N ATOM 485 CA MET A 34 -4.190 -6.067 -19.557 1.00 0.00 C ATOM 486 C MET A 34 -4.134 -4.915 -18.549 1.00 0.00 C ATOM 487 O MET A 34 -3.157 -4.167 -18.543 1.00 0.00 O ATOM 488 CB MET A 34 -4.993 -5.630 -20.792 1.00 0.00 C ATOM 489 CG MET A 34 -4.971 -6.669 -21.918 1.00 0.00 C ATOM 490 SD MET A 34 -6.100 -6.291 -23.287 1.00 0.00 S ATOM 491 CE MET A 34 -5.874 -7.789 -24.283 1.00 0.00 C ATOM 0 H MET A 34 -5.648 -7.558 -19.363 1.00 0.00 H new ATOM 0 HA MET A 34 -3.174 -6.314 -19.867 1.00 0.00 H new ATOM 0 HB2 MET A 34 -6.026 -5.441 -20.499 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.591 -4.688 -21.166 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.956 -6.747 -22.308 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.230 -7.644 -21.505 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.498 -7.731 -25.175 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.828 -7.876 -24.577 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.160 -8.662 -23.697 1.00 0.00 H new ATOM 501 N ILE A 35 -5.151 -4.755 -17.692 1.00 0.00 N ATOM 502 CA ILE A 35 -5.178 -3.676 -16.701 1.00 0.00 C ATOM 503 C ILE A 35 -4.336 -4.024 -15.460 1.00 0.00 C ATOM 504 O ILE A 35 -3.969 -3.123 -14.711 1.00 0.00 O ATOM 505 CB ILE A 35 -6.641 -3.265 -16.392 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.698 -1.840 -15.798 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.378 -4.290 -15.514 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.120 -1.330 -15.541 1.00 0.00 C ATOM 0 H ILE A 35 -5.969 -5.364 -17.667 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.698 -2.791 -17.119 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.177 -3.253 -17.341 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.143 -1.826 -14.860 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.194 -1.153 -16.478 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.397 -3.947 -15.332 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.405 -5.253 -16.024 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.856 -4.397 -14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.076 -0.324 -15.124 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.675 -1.310 -16.479 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.622 -1.993 -14.836 1.00 0.00 H new ATOM 520 N ALA A 36 -3.982 -5.296 -15.234 1.00 0.00 N ATOM 521 CA ALA A 36 -3.183 -5.709 -14.080 1.00 0.00 C ATOM 522 C ALA A 36 -1.873 -4.910 -13.912 1.00 0.00 C ATOM 523 O ALA A 36 -1.665 -4.382 -12.819 1.00 0.00 O ATOM 524 CB ALA A 36 -2.940 -7.223 -14.103 1.00 0.00 C ATOM 0 H ALA A 36 -4.244 -6.066 -15.849 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.771 -5.470 -13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.344 -7.509 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.896 -7.745 -14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.407 -7.492 -15.015 1.00 0.00 H new ATOM 530 N PRO A 37 -1.012 -4.727 -14.936 1.00 0.00 N ATOM 531 CA PRO A 37 0.183 -3.902 -14.780 1.00 0.00 C ATOM 532 C PRO A 37 -0.158 -2.430 -14.522 1.00 0.00 C ATOM 533 O PRO A 37 0.575 -1.765 -13.790 1.00 0.00 O ATOM 534 CB PRO A 37 1.006 -4.093 -16.059 1.00 0.00 C ATOM 535 CG PRO A 37 -0.020 -4.558 -17.089 1.00 0.00 C ATOM 536 CD PRO A 37 -1.005 -5.362 -16.245 1.00 0.00 C ATOM 0 HA PRO A 37 0.754 -4.209 -13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.488 -3.165 -16.366 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.795 -4.832 -15.920 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.505 -3.717 -17.585 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.437 -5.168 -17.868 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.000 -5.353 -16.690 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.698 -6.405 -16.172 1.00 0.00 H new ATOM 544 N VAL A 38 -1.270 -1.915 -15.061 1.00 0.00 N ATOM 545 CA VAL A 38 -1.713 -0.556 -14.777 1.00 0.00 C ATOM 546 C VAL A 38 -2.043 -0.439 -13.285 1.00 0.00 C ATOM 547 O VAL A 38 -1.632 0.528 -12.650 1.00 0.00 O ATOM 548 CB VAL A 38 -2.909 -0.147 -15.667 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.217 1.346 -15.508 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.646 -0.427 -17.156 1.00 0.00 C ATOM 0 H VAL A 38 -1.879 -2.427 -15.699 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.908 0.139 -15.015 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.757 -0.748 -15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.062 1.613 -16.143 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.464 1.558 -14.468 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.345 1.931 -15.800 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.514 -0.124 -17.742 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.772 0.136 -17.483 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.466 -1.492 -17.300 1.00 0.00 H new ATOM 560 N LEU A 39 -2.736 -1.426 -12.707 1.00 0.00 N ATOM 561 CA LEU A 39 -3.058 -1.447 -11.286 1.00 0.00 C ATOM 562 C LEU A 39 -1.792 -1.566 -10.441 1.00 0.00 C ATOM 563 O LEU A 39 -1.723 -0.942 -9.387 1.00 0.00 O ATOM 564 CB LEU A 39 -4.039 -2.587 -10.960 1.00 0.00 C ATOM 565 CG LEU A 39 -5.449 -2.369 -11.542 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.248 -3.673 -11.480 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.221 -1.280 -10.789 1.00 0.00 C ATOM 0 H LEU A 39 -3.089 -2.235 -13.219 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.543 -0.502 -11.040 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.636 -3.524 -11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.114 -2.693 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.323 -2.047 -12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.243 -3.510 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.736 -4.441 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.335 -3.998 -10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.209 -1.161 -11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.326 -1.566 -9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.677 -0.337 -10.854 1.00 0.00 H new ATOM 579 N GLU A 40 -0.779 -2.316 -10.884 1.00 0.00 N ATOM 580 CA GLU A 40 0.499 -2.380 -10.178 1.00 0.00 C ATOM 581 C GLU A 40 1.220 -1.029 -10.210 1.00 0.00 C ATOM 582 O GLU A 40 1.833 -0.635 -9.217 1.00 0.00 O ATOM 583 CB GLU A 40 1.390 -3.497 -10.743 1.00 0.00 C ATOM 584 CG GLU A 40 0.883 -4.891 -10.352 1.00 0.00 C ATOM 585 CD GLU A 40 1.819 -5.998 -10.867 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.779 -6.369 -10.152 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.599 -6.529 -11.979 1.00 0.00 O ATOM 0 H GLU A 40 -0.821 -2.887 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 40 0.288 -2.618 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.427 -3.416 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.409 -3.367 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.801 -4.958 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.118 -5.042 -10.757 1.00 0.00 H new ATOM 594 N GLU A 41 1.158 -0.292 -11.319 1.00 0.00 N ATOM 595 CA GLU A 41 1.714 1.054 -11.394 1.00 0.00 C ATOM 596 C GLU A 41 0.909 2.016 -10.513 1.00 0.00 C ATOM 597 O GLU A 41 1.493 2.862 -9.839 1.00 0.00 O ATOM 598 CB GLU A 41 1.771 1.551 -12.845 1.00 0.00 C ATOM 599 CG GLU A 41 2.888 0.865 -13.644 1.00 0.00 C ATOM 600 CD GLU A 41 3.004 1.444 -15.065 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.305 0.970 -15.989 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.819 2.372 -15.278 1.00 0.00 O ATOM 0 H GLU A 41 0.723 -0.611 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 41 2.737 1.021 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.812 1.366 -13.330 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.929 2.629 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.837 0.987 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.691 -0.205 -13.701 1.00 0.00 H new ATOM 609 N LEU A 42 -0.418 1.873 -10.476 1.00 0.00 N ATOM 610 CA LEU A 42 -1.301 2.675 -9.639 1.00 0.00 C ATOM 611 C LEU A 42 -0.971 2.425 -8.165 1.00 0.00 C ATOM 612 O LEU A 42 -0.869 3.368 -7.383 1.00 0.00 O ATOM 613 CB LEU A 42 -2.770 2.328 -9.970 1.00 0.00 C ATOM 614 CG LEU A 42 -3.830 3.405 -9.675 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.880 3.859 -8.216 1.00 0.00 C ATOM 616 CD2 LEU A 42 -3.653 4.632 -10.578 1.00 0.00 C ATOM 0 H LEU A 42 -0.914 1.182 -11.039 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.155 3.737 -9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.828 2.078 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.038 1.429 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.780 2.915 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.653 4.618 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.108 3.006 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.914 4.277 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.418 5.371 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.667 5.066 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.748 4.332 -11.622 1.00 0.00 H new ATOM 628 N ASP A 43 -0.734 1.169 -7.784 1.00 0.00 N ATOM 629 CA ASP A 43 -0.346 0.794 -6.431 1.00 0.00 C ATOM 630 C ASP A 43 1.001 1.413 -6.072 1.00 0.00 C ATOM 631 O ASP A 43 1.141 2.005 -5.007 1.00 0.00 O ATOM 632 CB ASP A 43 -0.273 -0.728 -6.292 1.00 0.00 C ATOM 633 CG ASP A 43 0.298 -1.114 -4.923 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.375 -0.859 -3.902 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.409 -1.686 -4.880 1.00 0.00 O ATOM 0 H ASP A 43 -0.808 0.374 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.103 1.172 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.267 -1.158 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.352 -1.142 -7.083 1.00 0.00 H new ATOM 640 N GLN A 44 1.982 1.350 -6.973 1.00 0.00 N ATOM 641 CA GLN A 44 3.276 1.984 -6.759 1.00 0.00 C ATOM 642 C GLN A 44 3.152 3.510 -6.609 1.00 0.00 C ATOM 643 O GLN A 44 3.951 4.122 -5.900 1.00 0.00 O ATOM 644 CB GLN A 44 4.211 1.605 -7.915 1.00 0.00 C ATOM 645 CG GLN A 44 4.739 0.171 -7.762 1.00 0.00 C ATOM 646 CD GLN A 44 5.402 -0.319 -9.048 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.614 -0.226 -9.228 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.613 -0.844 -9.970 1.00 0.00 N ATOM 0 H GLN A 44 1.900 0.861 -7.864 1.00 0.00 H new ATOM 0 HA GLN A 44 3.696 1.622 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.678 1.699 -8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.049 2.301 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.457 0.132 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.917 -0.495 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.609 -0.913 -9.803 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.008 -1.180 -10.848 1.00 0.00 H new ATOM 657 N GLU A 45 2.163 4.127 -7.259 1.00 0.00 N ATOM 658 CA GLU A 45 1.985 5.573 -7.284 1.00 0.00 C ATOM 659 C GLU A 45 1.181 6.079 -6.074 1.00 0.00 C ATOM 660 O GLU A 45 1.538 7.109 -5.499 1.00 0.00 O ATOM 661 CB GLU A 45 1.278 5.936 -8.603 1.00 0.00 C ATOM 662 CG GLU A 45 1.247 7.439 -8.903 1.00 0.00 C ATOM 663 CD GLU A 45 2.645 7.991 -9.232 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.146 7.718 -10.346 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.243 8.701 -8.394 1.00 0.00 O ATOM 0 H GLU A 45 1.453 3.623 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 45 2.959 6.058 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.778 5.423 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.255 5.562 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.577 7.627 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.840 7.972 -8.044 1.00 0.00 H new ATOM 672 N MET A 46 0.131 5.356 -5.658 1.00 0.00 N ATOM 673 CA MET A 46 -0.871 5.849 -4.707 1.00 0.00 C ATOM 674 C MET A 46 -1.252 4.837 -3.617 1.00 0.00 C ATOM 675 O MET A 46 -2.110 5.164 -2.796 1.00 0.00 O ATOM 676 CB MET A 46 -2.158 6.231 -5.469 1.00 0.00 C ATOM 677 CG MET A 46 -2.022 7.223 -6.630 1.00 0.00 C ATOM 678 SD MET A 46 -1.536 8.906 -6.162 1.00 0.00 S ATOM 679 CE MET A 46 -1.872 9.741 -7.736 1.00 0.00 C ATOM 0 H MET A 46 -0.046 4.403 -5.977 1.00 0.00 H new ATOM 0 HA MET A 46 -0.414 6.706 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.603 5.315 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.864 6.648 -4.751 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.287 6.833 -7.334 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.975 7.272 -7.158 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.631 10.800 -7.645 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.261 9.296 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.926 9.629 -7.989 1.00 0.00 H new ATOM 689 N GLY A 47 -0.660 3.636 -3.588 1.00 0.00 N ATOM 690 CA GLY A 47 -1.039 2.477 -2.766 1.00 0.00 C ATOM 691 C GLY A 47 -0.715 2.618 -1.277 1.00 0.00 C ATOM 692 O GLY A 47 -0.117 1.731 -0.668 1.00 0.00 O ATOM 0 H GLY A 47 0.149 3.434 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.110 2.304 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.532 1.593 -3.152 1.00 0.00 H new ATOM 696 N ASP A 48 -1.076 3.759 -0.709 1.00 0.00 N ATOM 697 CA ASP A 48 -1.064 4.113 0.702 1.00 0.00 C ATOM 698 C ASP A 48 -2.192 5.117 0.948 1.00 0.00 C ATOM 699 O ASP A 48 -2.928 5.009 1.929 1.00 0.00 O ATOM 700 CB ASP A 48 0.269 4.762 1.078 1.00 0.00 C ATOM 701 CG ASP A 48 0.247 5.241 2.538 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.321 4.397 3.459 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.174 6.468 2.774 1.00 0.00 O ATOM 0 H ASP A 48 -1.417 4.533 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.199 3.216 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.080 4.047 0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.468 5.605 0.416 1.00 0.00 H new ATOM 708 N LYS A 49 -2.376 6.054 0.005 1.00 0.00 N ATOM 709 CA LYS A 49 -3.515 6.961 -0.050 1.00 0.00 C ATOM 710 C LYS A 49 -4.808 6.173 -0.241 1.00 0.00 C ATOM 711 O LYS A 49 -5.827 6.504 0.366 1.00 0.00 O ATOM 712 CB LYS A 49 -3.354 7.954 -1.211 1.00 0.00 C ATOM 713 CG LYS A 49 -2.004 8.694 -1.237 1.00 0.00 C ATOM 714 CD LYS A 49 -1.930 9.660 -2.427 1.00 0.00 C ATOM 715 CE LYS A 49 -0.497 10.178 -2.620 1.00 0.00 C ATOM 716 NZ LYS A 49 -0.380 11.077 -3.795 1.00 0.00 N ATOM 0 H LYS A 49 -1.714 6.199 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.559 7.510 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.477 7.417 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.156 8.690 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.870 9.246 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.190 7.972 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.264 9.154 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.606 10.499 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.181 10.712 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.180 9.332 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.613 11.362 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.704 10.578 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.967 11.923 -3.645 1.00 0.00 H new ATOM 730 N LEU A 50 -4.752 5.122 -1.064 1.00 0.00 N ATOM 731 CA LEU A 50 -5.818 4.165 -1.277 1.00 0.00 C ATOM 732 C LEU A 50 -5.271 2.742 -1.219 1.00 0.00 C ATOM 733 O LEU A 50 -4.064 2.519 -1.317 1.00 0.00 O ATOM 734 CB LEU A 50 -6.579 4.467 -2.586 1.00 0.00 C ATOM 735 CG LEU A 50 -6.158 3.722 -3.872 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.189 4.002 -4.967 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.776 4.139 -4.358 1.00 0.00 C ATOM 0 H LEU A 50 -3.922 4.915 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.548 4.258 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.634 4.257 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.494 5.536 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.114 2.657 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.901 3.480 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.169 3.652 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.233 5.074 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.527 3.587 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.773 5.208 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.038 3.921 -3.586 1.00 0.00 H new ATOM 749 N LYS A 51 -6.182 1.781 -1.094 1.00 0.00 N ATOM 750 CA LYS A 51 -5.926 0.346 -1.186 1.00 0.00 C ATOM 751 C LYS A 51 -6.447 -0.127 -2.545 1.00 0.00 C ATOM 752 O LYS A 51 -7.377 0.482 -3.072 1.00 0.00 O ATOM 753 CB LYS A 51 -6.679 -0.301 -0.012 1.00 0.00 C ATOM 754 CG LYS A 51 -6.477 -1.814 0.169 1.00 0.00 C ATOM 755 CD LYS A 51 -7.463 -2.393 1.197 1.00 0.00 C ATOM 756 CE LYS A 51 -7.316 -1.758 2.588 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.258 -2.355 3.556 1.00 0.00 N ATOM 0 H LYS A 51 -7.164 1.991 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.871 0.081 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.374 0.198 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.744 -0.110 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.610 -2.317 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.455 -2.010 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.482 -2.243 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.308 -3.469 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.294 -1.890 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.493 -0.685 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.032 -2.017 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.230 -2.078 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.176 -3.391 3.526 1.00 0.00 H new ATOM 771 N ILE A 52 -5.922 -1.222 -3.095 1.00 0.00 N ATOM 772 CA ILE A 52 -6.497 -1.878 -4.271 1.00 0.00 C ATOM 773 C ILE A 52 -6.901 -3.271 -3.796 1.00 0.00 C ATOM 774 O ILE A 52 -6.119 -3.905 -3.087 1.00 0.00 O ATOM 775 CB ILE A 52 -5.505 -1.902 -5.464 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.993 -0.476 -5.789 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.150 -2.572 -6.696 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.154 -0.364 -7.068 1.00 0.00 C ATOM 0 H ILE A 52 -5.084 -1.681 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.360 -1.338 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.639 -2.500 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.851 0.191 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.397 -0.120 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.438 -2.579 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.429 -3.596 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.040 -2.015 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.843 0.671 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.273 -1.000 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.750 -0.684 -7.923 1.00 0.00 H new ATOM 790 N VAL A 53 -8.092 -3.754 -4.164 1.00 0.00 N ATOM 791 CA VAL A 53 -8.611 -5.047 -3.719 1.00 0.00 C ATOM 792 C VAL A 53 -9.110 -5.811 -4.946 1.00 0.00 C ATOM 793 O VAL A 53 -10.085 -5.417 -5.586 1.00 0.00 O ATOM 794 CB VAL A 53 -9.732 -4.867 -2.665 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.336 -6.204 -2.211 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.239 -4.152 -1.399 1.00 0.00 C ATOM 0 H VAL A 53 -8.727 -3.252 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.819 -5.617 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.485 -4.265 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.116 -6.019 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.765 -6.720 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.556 -6.823 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.064 -4.052 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.438 -4.733 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.864 -3.163 -1.662 1.00 0.00 H new ATOM 806 N LYS A 54 -8.450 -6.917 -5.277 1.00 0.00 N ATOM 807 CA LYS A 54 -8.938 -7.853 -6.282 1.00 0.00 C ATOM 808 C LYS A 54 -10.107 -8.644 -5.713 1.00 0.00 C ATOM 809 O LYS A 54 -10.068 -9.032 -4.540 1.00 0.00 O ATOM 810 CB LYS A 54 -7.807 -8.826 -6.647 1.00 0.00 C ATOM 811 CG LYS A 54 -6.629 -8.181 -7.384 1.00 0.00 C ATOM 812 CD LYS A 54 -7.096 -7.563 -8.706 1.00 0.00 C ATOM 813 CE LYS A 54 -5.901 -7.317 -9.629 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.318 -7.282 -11.052 1.00 0.00 N ATOM 0 H LYS A 54 -7.562 -7.189 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.263 -7.305 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.437 -9.292 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.216 -9.623 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.177 -7.413 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.860 -8.929 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.810 -8.227 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.614 -6.624 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.423 -6.374 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.159 -8.102 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.499 -7.047 -11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.691 -8.213 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.057 -6.562 -11.179 1.00 0.00 H new ATOM 828 N ILE A 55 -11.094 -8.957 -6.553 1.00 0.00 N ATOM 829 CA ILE A 55 -12.163 -9.887 -6.214 1.00 0.00 C ATOM 830 C ILE A 55 -12.604 -10.617 -7.497 1.00 0.00 C ATOM 831 O ILE A 55 -12.999 -9.993 -8.483 1.00 0.00 O ATOM 832 CB ILE A 55 -13.271 -9.139 -5.427 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.389 -10.118 -5.021 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.823 -7.898 -6.152 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.280 -9.580 -3.896 1.00 0.00 C ATOM 0 H ILE A 55 -11.172 -8.568 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.838 -10.675 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.804 -8.745 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.006 -10.337 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.941 -11.060 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.593 -7.430 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -13.015 -7.187 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.253 -8.196 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.047 -10.316 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.673 -9.388 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.754 -8.653 -4.219 1.00 0.00 H new ATOM 847 N ASP A 56 -12.444 -11.943 -7.522 1.00 0.00 N ATOM 848 CA ASP A 56 -12.746 -12.774 -8.693 1.00 0.00 C ATOM 849 C ASP A 56 -14.243 -13.071 -8.715 1.00 0.00 C ATOM 850 O ASP A 56 -14.749 -13.721 -7.794 1.00 0.00 O ATOM 851 CB ASP A 56 -11.936 -14.078 -8.640 1.00 0.00 C ATOM 852 CG ASP A 56 -12.173 -15.020 -9.841 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.084 -14.788 -10.666 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.416 -16.011 -9.952 1.00 0.00 O ATOM 0 H ASP A 56 -12.098 -12.475 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.470 -12.243 -9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.875 -13.832 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.184 -14.610 -7.721 1.00 0.00 H new ATOM 859 N VAL A 57 -14.970 -12.588 -9.726 1.00 0.00 N ATOM 860 CA VAL A 57 -16.423 -12.736 -9.794 1.00 0.00 C ATOM 861 C VAL A 57 -16.861 -14.204 -9.871 1.00 0.00 C ATOM 862 O VAL A 57 -17.966 -14.519 -9.436 1.00 0.00 O ATOM 863 CB VAL A 57 -17.032 -11.899 -10.941 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.695 -10.411 -10.770 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.607 -12.360 -12.344 1.00 0.00 C ATOM 0 H VAL A 57 -14.568 -12.085 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.817 -12.342 -8.857 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.109 -12.053 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.134 -9.842 -11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.098 -10.053 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.613 -10.280 -10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.076 -11.723 -13.094 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.523 -12.292 -12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.920 -13.393 -12.498 1.00 0.00 H new ATOM 875 N ASP A 58 -16.013 -15.116 -10.361 1.00 0.00 N ATOM 876 CA ASP A 58 -16.363 -16.534 -10.490 1.00 0.00 C ATOM 877 C ASP A 58 -16.463 -17.231 -9.124 1.00 0.00 C ATOM 878 O ASP A 58 -16.975 -18.346 -9.027 1.00 0.00 O ATOM 879 CB ASP A 58 -15.351 -17.253 -11.391 1.00 0.00 C ATOM 880 CG ASP A 58 -15.759 -18.711 -11.664 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.845 -18.944 -12.241 1.00 0.00 O ATOM 882 OD2 ASP A 58 -14.971 -19.633 -11.348 1.00 0.00 O ATOM 0 H ASP A 58 -15.069 -14.893 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.349 -16.587 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.263 -16.718 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.368 -17.233 -10.920 1.00 0.00 H new ATOM 887 N GLU A 59 -16.022 -16.562 -8.054 1.00 0.00 N ATOM 888 CA GLU A 59 -16.126 -17.037 -6.677 1.00 0.00 C ATOM 889 C GLU A 59 -16.887 -16.024 -5.803 1.00 0.00 C ATOM 890 O GLU A 59 -17.055 -16.255 -4.606 1.00 0.00 O ATOM 891 CB GLU A 59 -14.720 -17.320 -6.115 1.00 0.00 C ATOM 892 CG GLU A 59 -13.992 -18.447 -6.864 1.00 0.00 C ATOM 893 CD GLU A 59 -12.695 -18.855 -6.143 1.00 0.00 C ATOM 894 OE1 GLU A 59 -11.645 -18.198 -6.334 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.703 -19.852 -5.385 1.00 0.00 O ATOM 0 H GLU A 59 -15.571 -15.650 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.695 -17.967 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.123 -16.410 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.802 -17.585 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.649 -19.312 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.759 -18.121 -7.878 1.00 0.00 H new ATOM 902 N ASN A 60 -17.353 -14.909 -6.383 1.00 0.00 N ATOM 903 CA ASN A 60 -17.901 -13.758 -5.657 1.00 0.00 C ATOM 904 C ASN A 60 -19.030 -13.119 -6.461 1.00 0.00 C ATOM 905 O ASN A 60 -19.175 -11.895 -6.513 1.00 0.00 O ATOM 906 CB ASN A 60 -16.796 -12.739 -5.350 1.00 0.00 C ATOM 907 CG ASN A 60 -15.742 -13.325 -4.428 1.00 0.00 C ATOM 908 OD1 ASN A 60 -15.959 -13.445 -3.229 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.601 -13.724 -4.965 1.00 0.00 N ATOM 0 H ASN A 60 -17.359 -14.781 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.310 -14.103 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.329 -12.416 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.233 -11.854 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.879 -14.142 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.443 -13.614 -5.967 1.00 0.00 H new ATOM 916 N GLN A 61 -19.816 -13.957 -7.134 1.00 0.00 N ATOM 917 CA GLN A 61 -20.968 -13.530 -7.911 1.00 0.00 C ATOM 918 C GLN A 61 -21.977 -12.796 -7.019 1.00 0.00 C ATOM 919 O GLN A 61 -22.658 -11.884 -7.482 1.00 0.00 O ATOM 920 CB GLN A 61 -21.587 -14.715 -8.676 1.00 0.00 C ATOM 921 CG GLN A 61 -21.927 -15.968 -7.849 1.00 0.00 C ATOM 922 CD GLN A 61 -20.735 -16.914 -7.661 1.00 0.00 C ATOM 923 OE1 GLN A 61 -20.324 -17.603 -8.590 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.145 -16.971 -6.476 1.00 0.00 N ATOM 0 H GLN A 61 -19.665 -14.966 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.642 -12.816 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.500 -14.368 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.897 -15.007 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.295 -15.660 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.737 -16.509 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.490 -16.397 -5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.346 -17.589 -6.333 1.00 0.00 H new ATOM 933 N GLU A 62 -22.022 -13.146 -5.732 1.00 0.00 N ATOM 934 CA GLU A 62 -22.810 -12.488 -4.707 1.00 0.00 C ATOM 935 C GLU A 62 -22.392 -11.022 -4.585 1.00 0.00 C ATOM 936 O GLU A 62 -23.243 -10.133 -4.611 1.00 0.00 O ATOM 937 CB GLU A 62 -22.598 -13.196 -3.354 1.00 0.00 C ATOM 938 CG GLU A 62 -23.136 -14.637 -3.274 1.00 0.00 C ATOM 939 CD GLU A 62 -22.263 -15.711 -3.956 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.139 -15.414 -4.425 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.712 -16.878 -4.036 1.00 0.00 O ATOM 0 H GLU A 62 -21.483 -13.932 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.863 -12.539 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.531 -13.211 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.076 -12.603 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.255 -14.904 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.129 -14.661 -3.724 1.00 0.00 H new ATOM 948 N THR A 63 -21.089 -10.754 -4.474 1.00 0.00 N ATOM 949 CA THR A 63 -20.583 -9.408 -4.263 1.00 0.00 C ATOM 950 C THR A 63 -20.750 -8.591 -5.538 1.00 0.00 C ATOM 951 O THR A 63 -21.185 -7.452 -5.463 1.00 0.00 O ATOM 952 CB THR A 63 -19.112 -9.429 -3.827 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.827 -10.615 -3.128 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.723 -8.252 -2.930 1.00 0.00 C ATOM 0 H THR A 63 -20.361 -11.467 -4.529 1.00 0.00 H new ATOM 0 HA THR A 63 -21.158 -8.945 -3.461 1.00 0.00 H new ATOM 0 HB THR A 63 -18.534 -9.359 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.596 -10.860 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.670 -8.332 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.891 -7.317 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.331 -8.268 -2.025 1.00 0.00 H new ATOM 962 N ALA A 64 -20.471 -9.159 -6.713 1.00 0.00 N ATOM 963 CA ALA A 64 -20.684 -8.441 -7.963 1.00 0.00 C ATOM 964 C ALA A 64 -22.171 -8.087 -8.112 1.00 0.00 C ATOM 965 O ALA A 64 -22.518 -6.926 -8.347 1.00 0.00 O ATOM 966 CB ALA A 64 -20.173 -9.299 -9.126 1.00 0.00 C ATOM 0 H ALA A 64 -20.101 -10.103 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.127 -7.504 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.329 -8.769 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.109 -9.496 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.717 -10.243 -9.148 1.00 0.00 H new ATOM 972 N GLY A 65 -23.059 -9.056 -7.866 1.00 0.00 N ATOM 973 CA GLY A 65 -24.504 -8.866 -7.868 1.00 0.00 C ATOM 974 C GLY A 65 -24.968 -7.821 -6.849 1.00 0.00 C ATOM 975 O GLY A 65 -25.995 -7.179 -7.068 1.00 0.00 O ATOM 0 H GLY A 65 -22.781 -10.015 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.824 -8.562 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.991 -9.817 -7.653 1.00 0.00 H new ATOM 979 N LYS A 66 -24.194 -7.579 -5.785 1.00 0.00 N ATOM 980 CA LYS A 66 -24.466 -6.560 -4.769 1.00 0.00 C ATOM 981 C LYS A 66 -24.538 -5.151 -5.379 1.00 0.00 C ATOM 982 O LYS A 66 -25.166 -4.274 -4.783 1.00 0.00 O ATOM 983 CB LYS A 66 -23.390 -6.642 -3.665 1.00 0.00 C ATOM 984 CG LYS A 66 -23.926 -6.316 -2.263 1.00 0.00 C ATOM 985 CD LYS A 66 -22.807 -6.215 -1.209 1.00 0.00 C ATOM 986 CE LYS A 66 -21.826 -7.400 -1.144 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.452 -8.696 -0.770 1.00 0.00 N ATOM 0 H LYS A 66 -23.337 -8.102 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.444 -6.756 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.963 -7.645 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.581 -5.953 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.474 -5.374 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.636 -7.086 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.235 -5.307 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.269 -6.098 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.344 -7.510 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.042 -7.168 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.805 -9.475 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.646 -8.706 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.343 -8.815 -1.292 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.957 -4.941 -6.567 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.974 -3.675 -7.303 1.00 0.00 C ATOM 1003 C TYR A 67 -24.515 -3.888 -8.728 1.00 0.00 C ATOM 1004 O TYR A 67 -24.369 -3.016 -9.586 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.563 -3.048 -7.310 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.745 -3.314 -6.061 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.969 -2.586 -4.877 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.826 -4.377 -6.069 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.287 -2.935 -3.698 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.152 -4.739 -4.895 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.387 -4.027 -3.698 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.792 -4.403 -2.532 1.00 0.00 O ATOM 0 H TYR A 67 -23.445 -5.675 -7.057 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.645 -2.977 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.016 -3.427 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.660 -1.970 -7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.664 -1.760 -4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.638 -4.918 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.450 -2.370 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.453 -5.562 -4.905 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.861 -4.655 -2.706 1.00 0.00 H new ATOM 1022 N GLY A 68 -25.122 -5.052 -9.000 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.633 -5.432 -10.313 1.00 0.00 C ATOM 1024 C GLY A 68 -24.532 -5.675 -11.351 1.00 0.00 C ATOM 1025 O GLY A 68 -24.798 -5.584 -12.550 1.00 0.00 O ATOM 0 H GLY A 68 -25.272 -5.770 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.233 -6.337 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.297 -4.648 -10.676 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.302 -5.958 -10.915 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.169 -6.232 -11.792 1.00 0.00 C ATOM 1031 C VAL A 69 -22.113 -7.732 -12.096 1.00 0.00 C ATOM 1032 O VAL A 69 -22.570 -8.575 -11.321 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.855 -5.719 -11.143 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.605 -6.035 -11.986 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.907 -4.195 -10.952 1.00 0.00 C ATOM 0 H VAL A 69 -23.065 -6.003 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.291 -5.701 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.777 -6.237 -10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.719 -5.652 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.513 -7.114 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.697 -5.563 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.978 -3.854 -10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.035 -3.711 -11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.745 -3.938 -10.304 1.00 0.00 H new ATOM 1045 N MET A 70 -21.513 -8.033 -13.244 1.00 0.00 N ATOM 1046 CA MET A 70 -21.074 -9.353 -13.683 1.00 0.00 C ATOM 1047 C MET A 70 -20.057 -9.199 -14.829 1.00 0.00 C ATOM 1048 O MET A 70 -19.216 -10.078 -15.023 1.00 0.00 O ATOM 1049 CB MET A 70 -22.263 -10.245 -14.099 1.00 0.00 C ATOM 1050 CG MET A 70 -22.294 -11.526 -13.255 1.00 0.00 C ATOM 1051 SD MET A 70 -20.845 -12.606 -13.453 1.00 0.00 S ATOM 1052 CE MET A 70 -21.046 -13.678 -12.006 1.00 0.00 C ATOM 0 H MET A 70 -21.307 -7.314 -13.937 1.00 0.00 H new ATOM 0 HA MET A 70 -20.591 -9.855 -12.845 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.197 -9.697 -13.974 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.182 -10.500 -15.156 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.383 -11.250 -12.204 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.189 -12.092 -13.512 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.234 -14.405 -11.976 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.026 -13.073 -11.099 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.000 -14.202 -12.071 1.00 0.00 H new ATOM 1062 N SER A 71 -20.087 -8.076 -15.562 1.00 0.00 N ATOM 1063 CA SER A 71 -19.057 -7.715 -16.522 1.00 0.00 C ATOM 1064 C SER A 71 -17.734 -7.508 -15.783 1.00 0.00 C ATOM 1065 O SER A 71 -17.732 -7.048 -14.636 1.00 0.00 O ATOM 1066 CB SER A 71 -19.467 -6.427 -17.248 1.00 0.00 C ATOM 1067 OG SER A 71 -20.811 -6.510 -17.706 1.00 0.00 O ATOM 0 H SER A 71 -20.840 -7.391 -15.497 1.00 0.00 H new ATOM 0 HA SER A 71 -18.936 -8.511 -17.257 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.359 -5.576 -16.576 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.801 -6.253 -18.093 1.00 0.00 H new ATOM 0 HG SER A 71 -21.052 -5.678 -18.164 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.614 -7.790 -16.446 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.273 -7.584 -15.913 1.00 0.00 C ATOM 1075 C ILE A 72 -14.342 -7.143 -17.059 1.00 0.00 C ATOM 1076 O ILE A 72 -14.616 -7.502 -18.209 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.739 -8.847 -15.191 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.451 -10.086 -16.070 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.578 -9.220 -13.959 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.651 -10.892 -16.579 1.00 0.00 C ATOM 0 H ILE A 72 -16.616 -8.177 -17.390 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.307 -6.798 -15.158 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.750 -8.525 -14.864 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.876 -9.757 -16.936 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.811 -10.760 -15.500 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.161 -10.111 -13.491 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.564 -8.395 -13.246 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.605 -9.418 -14.265 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.298 -11.730 -17.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.222 -11.270 -15.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.288 -10.251 -17.188 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.230 -6.432 -16.788 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.886 -5.831 -15.506 1.00 0.00 C ATOM 1094 C PRO A 73 -13.872 -4.711 -15.185 1.00 0.00 C ATOM 1095 O PRO A 73 -14.245 -3.935 -16.069 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.458 -5.295 -15.654 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.292 -5.072 -17.154 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.240 -6.085 -17.792 1.00 0.00 C ATOM 0 HA PRO A 73 -12.939 -6.548 -14.687 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.321 -4.368 -15.097 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.725 -6.006 -15.274 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.552 -4.052 -17.436 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.262 -5.237 -17.469 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.719 -5.662 -18.675 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.695 -6.971 -18.118 1.00 0.00 H new ATOM 1106 N THR A 74 -14.265 -4.616 -13.919 1.00 0.00 N ATOM 1107 CA THR A 74 -15.123 -3.558 -13.422 1.00 0.00 C ATOM 1108 C THR A 74 -14.457 -3.031 -12.161 1.00 0.00 C ATOM 1109 O THR A 74 -14.233 -3.764 -11.195 1.00 0.00 O ATOM 1110 CB THR A 74 -16.556 -4.072 -13.210 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.120 -4.439 -14.452 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.447 -3.000 -12.574 1.00 0.00 C ATOM 0 H THR A 74 -13.989 -5.286 -13.201 1.00 0.00 H new ATOM 0 HA THR A 74 -15.234 -2.740 -14.134 1.00 0.00 H new ATOM 0 HB THR A 74 -16.502 -4.931 -12.542 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.316 -5.399 -14.451 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.453 -3.397 -12.438 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.036 -2.713 -11.606 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.486 -2.127 -13.225 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.087 -1.756 -12.206 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.463 -1.055 -11.106 1.00 0.00 C ATOM 1122 C LEU A 75 -14.581 -0.367 -10.339 1.00 0.00 C ATOM 1123 O LEU A 75 -15.428 0.279 -10.956 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.481 0.002 -11.637 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.279 -0.548 -12.430 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.416 0.620 -12.917 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.415 -1.511 -11.609 1.00 0.00 C ATOM 0 H LEU A 75 -14.219 -1.173 -13.032 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.907 -1.745 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.030 0.694 -12.276 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.104 0.579 -10.793 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.679 -1.113 -13.272 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.565 0.234 -13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.011 1.269 -13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.057 1.189 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.585 -1.865 -12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.026 -0.993 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.019 -2.360 -11.290 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.561 -0.450 -9.013 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.426 0.339 -8.142 1.00 0.00 C ATOM 1141 C LEU A 76 -14.473 1.090 -7.230 1.00 0.00 C ATOM 1142 O LEU A 76 -13.594 0.468 -6.634 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.372 -0.535 -7.290 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.782 -0.770 -7.862 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.778 -1.617 -9.137 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.656 -1.470 -6.815 1.00 0.00 C ATOM 0 H LEU A 76 -13.935 -1.076 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.072 0.989 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.898 -1.505 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.474 -0.073 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.181 0.212 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.801 -1.747 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.189 -1.115 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.341 -2.593 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.653 -1.634 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.210 -2.429 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.728 -0.845 -5.925 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.631 2.405 -7.103 1.00 0.00 N ATOM 1159 CA VAL A 77 -13.929 3.146 -6.069 1.00 0.00 C ATOM 1160 C VAL A 77 -14.934 3.206 -4.938 1.00 0.00 C ATOM 1161 O VAL A 77 -16.047 3.715 -5.116 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.481 4.542 -6.533 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.683 5.262 -5.434 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -12.596 4.451 -7.780 1.00 0.00 C ATOM 0 H VAL A 77 -15.234 2.972 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 77 -12.994 2.668 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.387 5.103 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.379 6.246 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.305 5.374 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.797 4.677 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.294 5.453 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.710 3.858 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.154 3.978 -8.588 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.540 2.667 -3.793 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.254 2.803 -2.543 1.00 0.00 C ATOM 1176 C LEU A 78 -14.436 3.731 -1.653 1.00 0.00 C ATOM 1177 O LEU A 78 -13.230 3.900 -1.855 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.496 1.439 -1.865 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.370 0.470 -2.693 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.526 -0.480 -3.555 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.279 -0.371 -1.787 1.00 0.00 C ATOM 0 H LEU A 78 -13.690 2.108 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.244 3.222 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.533 0.966 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.972 1.605 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.976 1.096 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.184 -1.142 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.917 0.101 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.877 -1.075 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.881 -1.043 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.667 -0.956 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.935 0.288 -1.218 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.077 4.326 -0.656 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.435 5.171 0.333 1.00 0.00 C ATOM 1195 C LYS A 79 -15.179 4.961 1.635 1.00 0.00 C ATOM 1196 O LYS A 79 -16.396 5.141 1.665 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.479 6.630 -0.137 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.682 7.557 0.792 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.591 8.954 0.164 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.532 9.816 0.861 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.310 11.081 0.127 1.00 0.00 N ATOM 0 H LYS A 79 -16.082 4.230 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.384 4.920 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.078 6.698 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.515 6.965 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.165 7.616 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.682 7.154 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.348 8.863 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.561 9.446 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.849 10.034 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.596 9.262 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.355 11.438 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.404 10.911 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.015 11.785 0.427 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.451 4.571 2.683 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.978 4.323 4.028 1.00 0.00 C ATOM 1217 C ASP A 80 -16.321 3.558 4.021 1.00 0.00 C ATOM 1218 O ASP A 80 -17.247 3.874 4.772 1.00 0.00 O ATOM 1219 CB ASP A 80 -15.020 5.647 4.811 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.371 5.451 6.297 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.801 4.546 6.947 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -16.169 6.246 6.843 1.00 0.00 O ATOM 0 H ASP A 80 -13.445 4.414 2.618 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.300 3.648 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.051 6.140 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.754 6.311 4.354 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.445 2.558 3.140 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.564 1.623 3.127 1.00 0.00 C ATOM 1229 C GLY A 81 -18.715 2.007 2.196 1.00 0.00 C ATOM 1230 O GLY A 81 -19.760 1.355 2.250 1.00 0.00 O ATOM 0 H GLY A 81 -15.758 2.378 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.194 0.640 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.952 1.530 4.141 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.558 3.018 1.336 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.572 3.427 0.362 1.00 0.00 C ATOM 1236 C GLU A 82 -18.931 3.452 -1.021 1.00 0.00 C ATOM 1237 O GLU A 82 -17.793 3.897 -1.147 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.112 4.830 0.693 1.00 0.00 C ATOM 1239 CG GLU A 82 -20.769 4.922 2.074 1.00 0.00 C ATOM 1240 CD GLU A 82 -21.460 6.281 2.283 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -20.817 7.233 2.781 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -22.666 6.410 1.972 1.00 0.00 O ATOM 0 H GLU A 82 -17.710 3.583 1.297 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.402 2.721 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.293 5.547 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.839 5.119 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.500 4.121 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.015 4.774 2.847 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.635 2.997 -2.062 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.206 3.192 -3.445 1.00 0.00 C ATOM 1251 C VAL A 83 -19.318 4.689 -3.733 1.00 0.00 C ATOM 1252 O VAL A 83 -20.332 5.318 -3.412 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.053 2.340 -4.418 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -19.454 2.370 -5.834 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.169 0.869 -3.982 1.00 0.00 C ATOM 0 H VAL A 83 -20.513 2.486 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.178 2.861 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.048 2.785 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.067 1.764 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.430 3.397 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.440 1.970 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.775 0.322 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.175 0.425 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.640 0.817 -3.000 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.282 5.246 -4.355 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.221 6.642 -4.763 1.00 0.00 C ATOM 1267 C VAL A 84 -17.920 6.761 -6.260 1.00 0.00 C ATOM 1268 O VAL A 84 -18.227 7.806 -6.834 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.234 7.442 -3.882 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.598 7.354 -2.390 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.767 7.020 -4.077 1.00 0.00 C ATOM 0 H VAL A 84 -17.440 4.722 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.201 7.092 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.329 8.476 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.880 7.929 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.599 7.758 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.574 6.312 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.127 7.620 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.655 5.966 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.479 7.175 -5.117 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.391 5.715 -6.916 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.204 5.734 -8.371 1.00 0.00 C ATOM 1283 C GLU A 85 -17.233 4.316 -8.945 1.00 0.00 C ATOM 1284 O GLU A 85 -17.127 3.334 -8.208 1.00 0.00 O ATOM 1285 CB GLU A 85 -15.889 6.458 -8.745 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.094 7.752 -9.544 1.00 0.00 C ATOM 1287 CD GLU A 85 -16.634 7.546 -10.972 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -17.696 6.906 -11.143 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -16.021 8.064 -11.932 1.00 0.00 O ATOM 0 H GLU A 85 -17.088 4.853 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.032 6.289 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.342 6.690 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.265 5.779 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.784 8.395 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.143 8.282 -9.602 1.00 0.00 H new ATOM 1296 N THR A 86 -17.380 4.192 -10.264 1.00 0.00 N ATOM 1297 CA THR A 86 -17.381 2.930 -10.995 1.00 0.00 C ATOM 1298 C THR A 86 -16.814 3.165 -12.407 1.00 0.00 C ATOM 1299 O THR A 86 -16.962 4.252 -12.971 1.00 0.00 O ATOM 1300 CB THR A 86 -18.822 2.378 -11.011 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.263 2.149 -9.685 1.00 0.00 O ATOM 1302 CG2 THR A 86 -18.990 1.067 -11.789 1.00 0.00 C ATOM 0 H THR A 86 -17.506 5.000 -10.874 1.00 0.00 H new ATOM 0 HA THR A 86 -16.745 2.186 -10.515 1.00 0.00 H new ATOM 0 HB THR A 86 -19.414 3.139 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.179 1.800 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.032 0.751 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 86 -18.697 1.220 -12.828 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.360 0.297 -11.344 1.00 0.00 H new ATOM 1310 N SER A 87 -16.161 2.153 -12.983 1.00 0.00 N ATOM 1311 CA SER A 87 -15.676 2.117 -14.359 1.00 0.00 C ATOM 1312 C SER A 87 -15.689 0.669 -14.852 1.00 0.00 C ATOM 1313 O SER A 87 -15.621 -0.260 -14.047 1.00 0.00 O ATOM 1314 CB SER A 87 -14.258 2.697 -14.421 1.00 0.00 C ATOM 1315 OG SER A 87 -14.319 4.109 -14.484 1.00 0.00 O ATOM 0 H SER A 87 -15.947 1.295 -12.474 1.00 0.00 H new ATOM 0 HA SER A 87 -16.321 2.718 -15.000 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.690 2.387 -13.544 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.734 2.307 -15.294 1.00 0.00 H new ATOM 0 HG SER A 87 -15.142 4.420 -14.052 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.756 0.465 -16.167 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.792 -0.857 -16.790 1.00 0.00 C ATOM 1323 C VAL A 88 -14.790 -0.845 -17.949 1.00 0.00 C ATOM 1324 O VAL A 88 -14.637 0.175 -18.630 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.230 -1.198 -17.252 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.337 -2.642 -17.769 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.267 -1.026 -16.128 1.00 0.00 C ATOM 0 H VAL A 88 -15.787 1.229 -16.842 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.510 -1.636 -16.082 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.445 -0.493 -18.055 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.362 -2.841 -18.083 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.665 -2.776 -18.617 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.060 -3.335 -16.974 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.258 -1.278 -16.506 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.016 -1.686 -15.298 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.262 0.008 -15.784 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.122 -1.976 -18.178 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.117 -2.121 -19.217 1.00 0.00 C ATOM 1339 C GLY A 89 -11.777 -1.519 -18.791 1.00 0.00 C ATOM 1340 O GLY A 89 -11.608 -1.045 -17.664 1.00 0.00 O ATOM 0 H GLY A 89 -14.270 -2.827 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.984 -3.177 -19.451 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.462 -1.634 -20.129 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.805 -1.581 -19.702 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.472 -1.023 -19.505 1.00 0.00 C ATOM 1346 C PHE A 90 -9.544 0.500 -19.315 1.00 0.00 C ATOM 1347 O PHE A 90 -10.388 1.171 -19.917 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.601 -1.392 -20.718 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.163 -0.913 -20.636 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.183 -1.722 -20.031 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.802 0.343 -21.165 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.851 -1.275 -19.953 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.473 0.793 -21.077 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.497 -0.017 -20.472 1.00 0.00 C ATOM 0 H PHE A 90 -10.926 -2.028 -20.611 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.026 -1.439 -18.602 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.603 -2.476 -20.833 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.058 -0.976 -21.616 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.453 -2.686 -19.626 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.549 0.962 -21.640 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.099 -1.899 -19.494 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.202 1.760 -21.474 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.475 0.327 -20.406 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.610 1.051 -18.533 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.345 2.484 -18.416 1.00 0.00 C ATOM 1366 C LYS A 91 -6.828 2.640 -18.285 1.00 0.00 C ATOM 1367 O LYS A 91 -6.210 1.807 -17.617 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.052 3.106 -17.192 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.363 3.809 -17.577 1.00 0.00 C ATOM 1370 CD LYS A 91 -10.944 4.606 -16.396 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.088 5.540 -16.829 1.00 0.00 C ATOM 1372 NZ LYS A 91 -13.367 4.838 -17.089 1.00 0.00 N ATOM 0 H LYS A 91 -7.997 0.488 -17.943 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.731 3.006 -19.292 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.261 2.326 -16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.384 3.822 -16.713 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.184 4.480 -18.417 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.090 3.068 -17.910 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.310 3.913 -15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.152 5.195 -15.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.247 6.289 -16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.787 6.074 -17.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.015 5.474 -17.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.188 3.993 -17.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.797 4.554 -16.186 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.222 3.675 -18.893 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.799 3.949 -18.746 1.00 0.00 C ATOM 1388 C PRO A 92 -4.501 4.500 -17.346 1.00 0.00 C ATOM 1389 O PRO A 92 -5.398 5.003 -16.658 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.478 4.965 -19.847 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.785 5.739 -20.008 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.850 4.676 -19.745 1.00 0.00 C ATOM 0 HA PRO A 92 -4.184 3.054 -18.846 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.656 5.621 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.186 4.473 -20.775 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.855 6.564 -19.299 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.880 6.167 -21.006 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.722 5.111 -19.257 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.196 4.232 -20.678 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.221 4.464 -16.948 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.778 4.943 -15.637 1.00 0.00 C ATOM 1402 C LYS A 93 -3.222 6.380 -15.408 1.00 0.00 C ATOM 1403 O LYS A 93 -3.724 6.682 -14.334 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.245 4.829 -15.501 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.746 5.276 -14.116 1.00 0.00 C ATOM 1406 CD LYS A 93 0.782 5.394 -14.081 1.00 0.00 C ATOM 1407 CE LYS A 93 1.188 6.071 -12.767 1.00 0.00 C ATOM 1408 NZ LYS A 93 2.650 6.311 -12.678 1.00 0.00 N ATOM 0 H LYS A 93 -2.465 4.101 -17.529 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.240 4.313 -14.877 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.943 3.797 -15.678 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.768 5.437 -16.270 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.192 6.237 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.074 4.561 -13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.240 4.408 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.137 5.976 -14.932 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.661 7.021 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.874 5.448 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.853 6.917 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.145 5.403 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.978 6.782 -13.545 1.00 0.00 H new ATOM 1422 N GLU A 94 -3.038 7.265 -16.391 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.227 8.695 -16.173 1.00 0.00 C ATOM 1424 C GLU A 94 -4.684 9.012 -15.847 1.00 0.00 C ATOM 1425 O GLU A 94 -4.952 9.789 -14.928 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.745 9.497 -17.393 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.231 9.390 -17.641 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.403 10.034 -16.513 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.114 11.251 -16.586 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.019 9.329 -15.554 1.00 0.00 O ATOM 0 H GLU A 94 -2.760 7.015 -17.340 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.625 8.991 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.275 9.148 -18.279 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.009 10.546 -17.255 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.955 8.340 -17.736 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.986 9.871 -18.588 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.621 8.369 -16.545 1.00 0.00 N ATOM 1438 CA ALA A 95 -7.039 8.523 -16.279 1.00 0.00 C ATOM 1439 C ALA A 95 -7.391 7.954 -14.910 1.00 0.00 C ATOM 1440 O ALA A 95 -8.108 8.589 -14.141 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.832 7.789 -17.360 1.00 0.00 C ATOM 0 H ALA A 95 -5.411 7.728 -17.310 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.290 9.584 -16.288 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.899 7.900 -17.167 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.594 8.212 -18.336 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.569 6.731 -17.349 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.881 6.760 -14.600 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.198 6.060 -13.370 1.00 0.00 C ATOM 1449 C LEU A 96 -6.660 6.828 -12.166 1.00 0.00 C ATOM 1450 O LEU A 96 -7.375 6.973 -11.177 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.638 4.629 -13.437 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.951 3.775 -12.193 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.454 3.674 -11.899 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.378 2.369 -12.399 1.00 0.00 C ATOM 0 H LEU A 96 -6.233 6.255 -15.205 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.280 5.996 -13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.044 4.132 -14.318 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.557 4.679 -13.569 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.491 4.266 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.611 3.060 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.859 4.671 -11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.961 3.219 -12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.594 1.756 -11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.833 1.916 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.299 2.433 -12.540 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.435 7.362 -12.239 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.894 8.132 -11.129 1.00 0.00 C ATOM 1468 C GLN A 97 -5.664 9.439 -10.983 1.00 0.00 C ATOM 1469 O GLN A 97 -5.854 9.888 -9.857 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.365 8.308 -11.187 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.807 9.221 -12.282 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.023 10.720 -12.049 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.715 11.269 -10.994 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.578 11.418 -13.023 1.00 0.00 N ATOM 0 H GLN A 97 -4.814 7.274 -13.043 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.044 7.558 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.033 8.694 -10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.916 7.322 -11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.738 9.034 -12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.266 8.947 -13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.833 10.960 -13.898 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.752 12.416 -12.900 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.153 10.028 -12.084 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.912 11.263 -11.991 1.00 0.00 C ATOM 1485 C GLU A 98 -8.238 10.992 -11.291 1.00 0.00 C ATOM 1486 O GLU A 98 -8.603 11.691 -10.347 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.106 11.908 -13.372 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.810 13.269 -13.272 1.00 0.00 C ATOM 1489 CD GLU A 98 -6.939 14.357 -12.606 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.608 14.242 -11.403 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -6.582 15.343 -13.292 1.00 0.00 O ATOM 0 H GLU A 98 -6.034 9.669 -13.031 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.351 11.983 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.136 12.035 -13.853 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.691 11.242 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.091 13.600 -14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.733 13.153 -12.703 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.912 9.926 -11.720 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.155 9.446 -11.130 1.00 0.00 C ATOM 1500 C LEU A 99 -9.958 9.226 -9.626 1.00 0.00 C ATOM 1501 O LEU A 99 -10.795 9.651 -8.829 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.595 8.186 -11.899 1.00 0.00 C ATOM 1503 CG LEU A 99 -12.025 7.679 -11.625 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -12.434 6.727 -12.758 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.156 6.914 -10.304 1.00 0.00 C ATOM 0 H LEU A 99 -8.598 9.360 -12.508 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.959 10.176 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.503 8.388 -12.966 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.897 7.382 -11.665 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.666 8.559 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.444 6.360 -12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.406 7.259 -13.709 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.743 5.885 -12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.187 6.586 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -11.498 6.045 -10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.876 7.566 -9.477 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.828 8.639 -9.223 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.479 8.466 -7.823 1.00 0.00 C ATOM 1519 C VAL A 100 -8.294 9.826 -7.143 1.00 0.00 C ATOM 1520 O VAL A 100 -8.935 10.039 -6.117 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.269 7.514 -7.697 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.586 7.564 -6.321 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.730 6.071 -7.968 1.00 0.00 C ATOM 0 H VAL A 100 -8.129 8.270 -9.868 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.296 7.985 -7.284 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.534 7.846 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.746 6.870 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.225 8.575 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.302 7.283 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.880 5.395 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.493 5.790 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.144 6.004 -8.974 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.499 10.763 -7.687 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.243 12.057 -7.026 1.00 0.00 C ATOM 1535 C ASN A 101 -8.554 12.772 -6.742 1.00 0.00 C ATOM 1536 O ASN A 101 -8.771 13.276 -5.642 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.435 13.054 -7.869 1.00 0.00 C ATOM 1538 CG ASN A 101 -5.098 12.560 -8.369 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -4.287 12.007 -7.633 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -4.869 12.791 -9.643 1.00 0.00 N ATOM 0 H ASN A 101 -7.022 10.650 -8.582 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.680 11.789 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.038 13.346 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.270 13.953 -7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.983 12.507 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.577 13.255 -10.213 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.424 12.794 -7.753 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.754 13.406 -7.683 1.00 0.00 C ATOM 1549 C LYS A 102 -11.628 12.829 -6.559 1.00 0.00 C ATOM 1550 O LYS A 102 -12.623 13.467 -6.209 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.465 13.287 -9.045 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.871 14.174 -10.159 1.00 0.00 C ATOM 1553 CD LYS A 102 -10.968 15.692 -9.925 1.00 0.00 C ATOM 1554 CE LYS A 102 -12.419 16.170 -9.757 1.00 0.00 C ATOM 1555 NZ LYS A 102 -12.513 17.644 -9.613 1.00 0.00 N ATOM 0 H LYS A 102 -9.221 12.379 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.605 14.458 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.429 12.247 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.516 13.545 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.821 13.911 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.375 13.936 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.396 15.956 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.511 16.216 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.006 15.853 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.857 15.693 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.510 17.919 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.976 17.946 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.120 18.101 -10.460 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.272 11.681 -5.973 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.999 11.065 -4.861 1.00 0.00 C ATOM 1571 C HIS A 103 -11.154 10.865 -3.591 1.00 0.00 C ATOM 1572 O HIS A 103 -11.716 10.479 -2.563 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.666 9.762 -5.334 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.895 10.034 -6.168 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -15.175 10.216 -5.690 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.937 10.252 -7.519 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.966 10.532 -6.730 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -15.253 10.581 -7.870 1.00 0.00 N ATOM 0 H HIS A 103 -10.455 11.145 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.773 11.769 -4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.953 9.179 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.940 9.158 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.100 10.182 -8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -17.027 10.720 -6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -15.600 10.811 -8.801 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.845 11.150 -3.603 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.033 11.188 -2.388 1.00 0.00 C ATOM 1588 C LEU A 104 -9.572 12.272 -1.461 1.00 0.00 C ATOM 1589 O LEU A 104 -9.742 11.986 -0.258 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.539 11.436 -2.676 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.781 10.307 -3.396 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.304 10.687 -3.504 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.910 8.949 -2.695 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.821 13.404 -1.926 1.00 0.00 O ATOM 0 H LEU A 104 -9.324 11.360 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.103 10.209 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.453 12.341 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.037 11.633 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.231 10.195 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.760 9.892 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.207 11.613 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.891 10.828 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.353 8.197 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.509 9.022 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.960 8.662 -2.648 1.00 0.00 H new TER 1606 LEU A 104