USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 103 THR OG1 : rot -27:sc= 0.0183 USER MOD Set 1.2: A 106 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.4!) USER MOD Set 2.1: A 51 THR OG1 : rot 98:sc= -0.162 USER MOD Set 2.2: A 97 MET CE :methyl -143:sc= -0.781 (180deg=-1.23) USER MOD Set 2.3: A 101 LYS NZ :NH3+ 150:sc= 0.489 (180deg=0.163) USER MOD Single : A 3 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-2.6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.44) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 31 SER OG : rot -8:sc= -0.0721 USER MOD Single : A 32 THR OG1 : rot 117:sc= -0.103 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.183 (180deg=-0.382) USER MOD Single : A 38 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-1.7) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= -0.0704 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 58 MET CE :methyl 138:sc= -6.55 (180deg=-11.1!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 78 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.41) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-5.8!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.148 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.533 K(o=-0.53,f=-3.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 99 ASN : amide:sc= 1.07 K(o=1.1,f=-0.28) USER MOD Single : A 102 MET CE :methyl -146:sc= -1.72 (180deg=-4.43!) USER MOD Single : A 105 GLN : amide:sc= -1.88 K(o=-1.9,f=-1.2) USER MOD Single : A 109 SER OG : rot 68:sc= -0.455 USER MOD Single : A 111 TYR OH : rot 117:sc= -4.19! USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= -1.82 (180deg=-4.59!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.983 -13.419 -6.676 1.00 0.00 N ATOM 29 CA HIS A 3 -2.528 -12.292 -7.484 1.00 0.00 C ATOM 30 C HIS A 3 -3.663 -11.302 -7.752 1.00 0.00 C ATOM 31 O HIS A 3 -3.524 -10.403 -8.579 1.00 0.00 O ATOM 32 CB HIS A 3 -1.956 -12.794 -8.811 1.00 0.00 C ATOM 33 CG HIS A 3 -0.590 -13.390 -8.680 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.120 -14.388 -9.509 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.412 -13.127 -7.807 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.110 -14.712 -9.151 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.456 -13.961 -8.122 1.00 0.00 N ATOM 0 HA HIS A 3 -1.750 -11.773 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.631 -13.540 -9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.917 -11.966 -9.518 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.393 -12.397 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.727 -15.464 -9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.354 -13.995 -7.639 1.00 0.00 H new ATOM 46 N SER A 4 -4.782 -11.464 -7.048 1.00 0.00 N ATOM 47 CA SER A 4 -5.921 -10.568 -7.220 1.00 0.00 C ATOM 48 C SER A 4 -6.739 -10.460 -5.940 1.00 0.00 C ATOM 49 O SER A 4 -6.720 -11.354 -5.095 1.00 0.00 O ATOM 50 CB SER A 4 -6.809 -11.035 -8.375 1.00 0.00 C ATOM 51 OG SER A 4 -6.946 -12.447 -8.378 1.00 0.00 O ATOM 0 H SER A 4 -4.923 -12.202 -6.358 1.00 0.00 H new ATOM 0 HA SER A 4 -5.528 -9.579 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.792 -10.572 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.381 -10.706 -9.322 1.00 0.00 H new ATOM 0 HG SER A 4 -7.519 -12.718 -9.125 1.00 0.00 H new ATOM 57 N GLY A 5 -7.449 -9.347 -5.808 1.00 0.00 N ATOM 58 CA GLY A 5 -8.267 -9.107 -4.637 1.00 0.00 C ATOM 59 C GLY A 5 -8.844 -7.713 -4.661 1.00 0.00 C ATOM 60 O GLY A 5 -8.158 -6.768 -5.033 1.00 0.00 O ATOM 0 H GLY A 5 -7.472 -8.599 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.074 -9.838 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.668 -9.242 -3.736 1.00 0.00 H new ATOM 64 N ALA A 6 -10.109 -7.577 -4.294 1.00 0.00 N ATOM 65 CA ALA A 6 -10.762 -6.277 -4.315 1.00 0.00 C ATOM 66 C ALA A 6 -10.457 -5.449 -3.070 1.00 0.00 C ATOM 67 O ALA A 6 -10.521 -5.944 -1.945 1.00 0.00 O ATOM 68 CB ALA A 6 -12.254 -6.454 -4.511 1.00 0.00 C ATOM 0 H ALA A 6 -10.701 -8.346 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.358 -5.715 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.737 -5.477 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.439 -6.965 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.661 -7.048 -3.692 1.00 0.00 H new ATOM 74 N ALA A 7 -10.115 -4.179 -3.294 1.00 0.00 N ATOM 75 CA ALA A 7 -9.783 -3.257 -2.210 1.00 0.00 C ATOM 76 C ALA A 7 -10.330 -1.856 -2.489 1.00 0.00 C ATOM 77 O ALA A 7 -10.824 -1.581 -3.582 1.00 0.00 O ATOM 78 CB ALA A 7 -8.276 -3.207 -2.014 1.00 0.00 C ATOM 0 H ALA A 7 -10.061 -3.765 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.250 -3.622 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.037 -2.518 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.908 -4.202 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.801 -2.865 -2.933 1.00 0.00 H new ATOM 84 N ILE A 8 -10.247 -0.975 -1.491 1.00 0.00 N ATOM 85 CA ILE A 8 -10.744 0.395 -1.633 1.00 0.00 C ATOM 86 C ILE A 8 -9.609 1.390 -1.855 1.00 0.00 C ATOM 87 O ILE A 8 -8.660 1.445 -1.073 1.00 0.00 O ATOM 88 CB ILE A 8 -11.537 0.856 -0.383 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.733 -0.065 -0.073 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.014 2.294 -0.559 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.997 -1.142 -1.104 1.00 0.00 C ATOM 0 H ILE A 8 -9.842 -1.184 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.401 0.379 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.856 0.800 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.564 -0.541 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.628 0.549 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.569 2.604 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.153 2.949 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.661 2.358 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.857 -1.737 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.202 -0.679 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.122 -1.786 -1.189 1.00 0.00 H new ATOM 103 N PHE A 9 -9.729 2.200 -2.902 1.00 0.00 N ATOM 104 CA PHE A 9 -8.725 3.216 -3.193 1.00 0.00 C ATOM 105 C PHE A 9 -9.370 4.583 -3.405 1.00 0.00 C ATOM 106 O PHE A 9 -10.053 4.813 -4.403 1.00 0.00 O ATOM 107 CB PHE A 9 -7.896 2.846 -4.422 1.00 0.00 C ATOM 108 CG PHE A 9 -6.711 3.753 -4.626 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.890 5.081 -4.979 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.421 3.277 -4.462 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.806 5.916 -5.164 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.332 4.108 -4.645 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.524 5.429 -4.998 1.00 0.00 C ATOM 0 H PHE A 9 -10.508 2.173 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.064 3.267 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.547 1.818 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.531 2.883 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.890 5.468 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.264 2.244 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.960 6.949 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.331 3.724 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.674 6.080 -5.144 1.00 0.00 H new ATOM 123 N GLU A 10 -9.132 5.486 -2.460 1.00 0.00 N ATOM 124 CA GLU A 10 -9.662 6.848 -2.523 1.00 0.00 C ATOM 125 C GLU A 10 -11.180 6.873 -2.378 1.00 0.00 C ATOM 126 O GLU A 10 -11.880 7.512 -3.164 1.00 0.00 O ATOM 127 CB GLU A 10 -9.250 7.527 -3.833 1.00 0.00 C ATOM 128 CG GLU A 10 -7.863 8.147 -3.785 1.00 0.00 C ATOM 129 CD GLU A 10 -7.507 8.878 -5.065 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.738 8.314 -6.155 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.997 10.015 -4.976 1.00 0.00 O ATOM 0 H GLU A 10 -8.569 5.298 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.236 7.399 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.284 6.794 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.977 8.302 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.808 8.842 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.126 7.366 -3.600 1.00 0.00 H new ATOM 138 N LYS A 11 -11.684 6.184 -1.358 1.00 0.00 N ATOM 139 CA LYS A 11 -13.121 6.131 -1.092 1.00 0.00 C ATOM 140 C LYS A 11 -13.876 5.325 -2.151 1.00 0.00 C ATOM 141 O LYS A 11 -15.080 5.105 -2.021 1.00 0.00 O ATOM 142 CB LYS A 11 -13.700 7.547 -1.004 1.00 0.00 C ATOM 143 CG LYS A 11 -14.102 7.950 0.405 1.00 0.00 C ATOM 144 CD LYS A 11 -15.578 7.688 0.659 1.00 0.00 C ATOM 145 CE LYS A 11 -15.983 8.096 2.066 1.00 0.00 C ATOM 146 NZ LYS A 11 -17.346 8.694 2.100 1.00 0.00 N ATOM 0 H LYS A 11 -11.117 5.652 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.251 5.624 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.963 8.257 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.571 7.616 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.503 7.396 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.888 9.008 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.176 8.239 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.791 6.629 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.953 7.224 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.262 8.813 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.585 8.959 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.369 9.541 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.038 8.001 1.750 1.00 0.00 H new ATOM 160 N VAL A 12 -13.178 4.875 -3.192 1.00 0.00 N ATOM 161 CA VAL A 12 -13.808 4.093 -4.239 1.00 0.00 C ATOM 162 C VAL A 12 -13.530 2.620 -4.037 1.00 0.00 C ATOM 163 O VAL A 12 -12.475 2.235 -3.531 1.00 0.00 O ATOM 164 CB VAL A 12 -13.332 4.523 -5.642 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.627 3.449 -6.688 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.001 5.824 -6.020 1.00 0.00 C ATOM 0 H VAL A 12 -12.181 5.041 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.881 4.274 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.251 4.661 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.278 3.786 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.113 2.527 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.701 3.267 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.667 6.131 -7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.082 5.688 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.737 6.593 -5.294 1.00 0.00 H new ATOM 176 N SER A 13 -14.480 1.800 -4.438 1.00 0.00 N ATOM 177 CA SER A 13 -14.332 0.364 -4.301 1.00 0.00 C ATOM 178 C SER A 13 -14.206 -0.301 -5.660 1.00 0.00 C ATOM 179 O SER A 13 -15.152 -0.321 -6.447 1.00 0.00 O ATOM 180 CB SER A 13 -15.507 -0.232 -3.533 1.00 0.00 C ATOM 181 OG SER A 13 -15.997 0.673 -2.560 1.00 0.00 O ATOM 0 H SER A 13 -15.359 2.100 -4.859 1.00 0.00 H new ATOM 0 HA SER A 13 -13.418 0.177 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.306 -0.490 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.196 -1.157 -3.048 1.00 0.00 H new ATOM 0 HG SER A 13 -16.751 0.265 -2.084 1.00 0.00 H new ATOM 187 N GLY A 14 -13.031 -0.848 -5.923 1.00 0.00 N ATOM 188 CA GLY A 14 -12.788 -1.515 -7.182 1.00 0.00 C ATOM 189 C GLY A 14 -12.177 -2.882 -6.988 1.00 0.00 C ATOM 190 O GLY A 14 -12.683 -3.690 -6.211 1.00 0.00 O ATOM 0 H GLY A 14 -12.237 -0.841 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.726 -1.611 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.124 -0.904 -7.794 1.00 0.00 H new ATOM 194 N ILE A 15 -11.083 -3.136 -7.688 1.00 0.00 N ATOM 195 CA ILE A 15 -10.394 -4.409 -7.587 1.00 0.00 C ATOM 196 C ILE A 15 -8.892 -4.221 -7.558 1.00 0.00 C ATOM 197 O ILE A 15 -8.336 -3.496 -8.376 1.00 0.00 O ATOM 198 CB ILE A 15 -10.714 -5.340 -8.773 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.216 -5.348 -9.072 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.200 -6.750 -8.488 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.072 -5.792 -7.908 1.00 0.00 C ATOM 0 H ILE A 15 -10.653 -2.474 -8.334 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.745 -4.859 -6.658 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.205 -4.962 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.521 -4.346 -9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.404 -6.007 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.431 -7.399 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.121 -6.720 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.681 -7.138 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.122 -5.770 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.796 -6.806 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.916 -5.120 -7.064 1.00 0.00 H new ATOM 213 N ILE A 16 -8.235 -4.933 -6.660 1.00 0.00 N ATOM 214 CA ILE A 16 -6.790 -4.891 -6.589 1.00 0.00 C ATOM 215 C ILE A 16 -6.296 -6.140 -7.278 1.00 0.00 C ATOM 216 O ILE A 16 -6.908 -7.200 -7.153 1.00 0.00 O ATOM 217 CB ILE A 16 -6.248 -4.846 -5.132 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.694 -3.458 -4.806 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.167 -5.901 -4.917 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.059 -3.368 -3.433 1.00 0.00 C ATOM 0 H ILE A 16 -8.679 -5.544 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.434 -3.978 -7.065 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.080 -5.061 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.954 -3.185 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.501 -2.728 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.805 -5.847 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.583 -6.891 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.340 -5.719 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.688 -2.356 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.801 -3.610 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.230 -4.073 -3.368 1.00 0.00 H new ATOM 232 N ALA A 17 -5.220 -6.028 -8.020 1.00 0.00 N ATOM 233 CA ALA A 17 -4.719 -7.182 -8.724 1.00 0.00 C ATOM 234 C ALA A 17 -3.219 -7.103 -8.926 1.00 0.00 C ATOM 235 O ALA A 17 -2.704 -6.197 -9.582 1.00 0.00 O ATOM 236 CB ALA A 17 -5.472 -7.352 -10.031 1.00 0.00 C ATOM 0 H ALA A 17 -4.685 -5.169 -8.150 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.894 -8.070 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.090 -8.225 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.533 -7.488 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.334 -6.465 -10.649 1.00 0.00 H new ATOM 242 N ILE A 18 -2.533 -8.058 -8.324 1.00 0.00 N ATOM 243 CA ILE A 18 -1.085 -8.129 -8.384 1.00 0.00 C ATOM 244 C ILE A 18 -0.605 -8.854 -9.632 1.00 0.00 C ATOM 245 O ILE A 18 -1.155 -9.886 -10.019 1.00 0.00 O ATOM 246 CB ILE A 18 -0.528 -8.834 -7.133 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.016 -8.128 -5.867 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.989 -8.872 -7.177 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.498 -9.077 -4.791 1.00 0.00 C ATOM 0 H ILE A 18 -2.964 -8.806 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.714 -7.105 -8.422 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.894 -9.861 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.206 -7.519 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.827 -7.448 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.366 -9.373 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.314 -9.416 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.378 -7.854 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.829 -8.506 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.329 -9.669 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.684 -9.741 -4.500 1.00 0.00 H new ATOM 261 N ASN A 19 0.435 -8.308 -10.250 1.00 0.00 N ATOM 262 CA ASN A 19 1.010 -8.896 -11.451 1.00 0.00 C ATOM 263 C ASN A 19 2.445 -9.335 -11.190 1.00 0.00 C ATOM 264 O ASN A 19 3.378 -8.546 -11.315 1.00 0.00 O ATOM 265 CB ASN A 19 0.969 -7.895 -12.607 1.00 0.00 C ATOM 266 CG ASN A 19 0.625 -8.552 -13.930 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.519 -8.503 -14.381 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.616 -9.174 -14.558 1.00 0.00 N ATOM 0 H ASN A 19 0.898 -7.455 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 19 0.419 -9.770 -11.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.234 -7.121 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.937 -7.401 -12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.444 -9.636 -15.451 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.550 -9.190 -14.147 1.00 0.00 H new ATOM 275 N GLU A 20 2.613 -10.597 -10.819 1.00 0.00 N ATOM 276 CA GLU A 20 3.935 -11.144 -10.535 1.00 0.00 C ATOM 277 C GLU A 20 4.673 -11.520 -11.820 1.00 0.00 C ATOM 278 O GLU A 20 5.805 -12.000 -11.775 1.00 0.00 O ATOM 279 CB GLU A 20 3.814 -12.369 -9.626 1.00 0.00 C ATOM 280 CG GLU A 20 4.793 -12.361 -8.465 1.00 0.00 C ATOM 281 CD GLU A 20 6.199 -12.745 -8.883 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.394 -13.899 -9.318 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.104 -11.891 -8.778 1.00 0.00 O ATOM 0 H GLU A 20 1.849 -11.264 -10.707 1.00 0.00 H new ATOM 0 HA GLU A 20 4.513 -10.372 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.798 -12.422 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.974 -13.269 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.810 -11.368 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.445 -13.052 -7.697 1.00 0.00 H new ATOM 290 N ASP A 21 4.029 -11.301 -12.965 1.00 0.00 N ATOM 291 CA ASP A 21 4.634 -11.619 -14.252 1.00 0.00 C ATOM 292 C ASP A 21 5.565 -10.501 -14.721 1.00 0.00 C ATOM 293 O ASP A 21 6.161 -10.591 -15.795 1.00 0.00 O ATOM 294 CB ASP A 21 3.547 -11.857 -15.299 1.00 0.00 C ATOM 295 CG ASP A 21 2.744 -13.114 -15.025 1.00 0.00 C ATOM 296 OD1 ASP A 21 2.347 -13.321 -13.858 1.00 0.00 O ATOM 297 OD2 ASP A 21 2.512 -13.889 -15.975 1.00 0.00 O ATOM 0 H ASP A 21 3.091 -10.906 -13.025 1.00 0.00 H new ATOM 0 HA ASP A 21 5.225 -12.526 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.876 -10.999 -15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.006 -11.930 -16.285 1.00 0.00 H new ATOM 302 N VAL A 22 5.689 -9.448 -13.915 1.00 0.00 N ATOM 303 CA VAL A 22 6.553 -8.325 -14.263 1.00 0.00 C ATOM 304 C VAL A 22 7.870 -8.395 -13.498 1.00 0.00 C ATOM 305 O VAL A 22 8.238 -9.444 -12.968 1.00 0.00 O ATOM 306 CB VAL A 22 5.884 -6.952 -14.006 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.717 -6.182 -15.307 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.557 -7.124 -13.318 1.00 0.00 C ATOM 0 H VAL A 22 5.205 -9.350 -13.022 1.00 0.00 H new ATOM 0 HA VAL A 22 6.742 -8.409 -15.333 1.00 0.00 H new ATOM 0 HB VAL A 22 6.536 -6.376 -13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.245 -5.221 -15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.694 -6.017 -15.760 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.092 -6.755 -15.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.106 -6.146 -13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.897 -7.724 -13.945 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.705 -7.626 -12.362 1.00 0.00 H new ATOM 318 N SER A 23 8.574 -7.272 -13.443 1.00 0.00 N ATOM 319 CA SER A 23 9.847 -7.196 -12.741 1.00 0.00 C ATOM 320 C SER A 23 10.378 -5.763 -12.753 1.00 0.00 C ATOM 321 O SER A 23 10.924 -5.308 -13.758 1.00 0.00 O ATOM 322 CB SER A 23 10.864 -8.141 -13.384 1.00 0.00 C ATOM 323 OG SER A 23 12.192 -7.743 -13.090 1.00 0.00 O ATOM 0 H SER A 23 8.282 -6.397 -13.879 1.00 0.00 H new ATOM 0 HA SER A 23 9.690 -7.500 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.698 -9.157 -13.025 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.717 -8.157 -14.464 1.00 0.00 H new ATOM 0 HG SER A 23 12.821 -8.365 -13.512 1.00 0.00 H new ATOM 329 N PRO A 24 10.219 -5.024 -11.639 1.00 0.00 N ATOM 330 CA PRO A 24 9.572 -5.527 -10.417 1.00 0.00 C ATOM 331 C PRO A 24 8.065 -5.703 -10.576 1.00 0.00 C ATOM 332 O PRO A 24 7.451 -5.118 -11.469 1.00 0.00 O ATOM 333 CB PRO A 24 9.871 -4.438 -9.388 1.00 0.00 C ATOM 334 CG PRO A 24 10.049 -3.198 -10.190 1.00 0.00 C ATOM 335 CD PRO A 24 10.671 -3.629 -11.488 1.00 0.00 C ATOM 0 HA PRO A 24 9.943 -6.515 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.054 -4.334 -8.674 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.768 -4.671 -8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.093 -2.703 -10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.688 -2.485 -9.669 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.338 -3.007 -12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.758 -3.561 -11.454 1.00 0.00 H new ATOM 343 N ALA A 25 7.476 -6.513 -9.700 1.00 0.00 N ATOM 344 CA ALA A 25 6.038 -6.770 -9.734 1.00 0.00 C ATOM 345 C ALA A 25 5.243 -5.477 -9.710 1.00 0.00 C ATOM 346 O ALA A 25 5.808 -4.388 -9.600 1.00 0.00 O ATOM 347 CB ALA A 25 5.620 -7.637 -8.558 1.00 0.00 C ATOM 0 H ALA A 25 7.973 -7.004 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 25 5.826 -7.294 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.546 -7.817 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.149 -8.589 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.865 -7.128 -7.626 1.00 0.00 H new ATOM 353 N GLU A 26 3.924 -5.603 -9.801 1.00 0.00 N ATOM 354 CA GLU A 26 3.056 -4.439 -9.774 1.00 0.00 C ATOM 355 C GLU A 26 1.610 -4.829 -9.490 1.00 0.00 C ATOM 356 O GLU A 26 1.083 -5.770 -10.084 1.00 0.00 O ATOM 357 CB GLU A 26 3.142 -3.681 -11.100 1.00 0.00 C ATOM 358 CG GLU A 26 2.619 -4.472 -12.288 1.00 0.00 C ATOM 359 CD GLU A 26 1.222 -4.053 -12.698 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.250 -4.553 -12.094 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.099 -3.223 -13.624 1.00 0.00 O ATOM 0 H GLU A 26 3.438 -6.495 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 26 3.396 -3.790 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.577 -2.752 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.181 -3.407 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.296 -4.342 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.618 -5.534 -12.041 1.00 0.00 H new ATOM 368 N LEU A 27 0.964 -4.084 -8.598 1.00 0.00 N ATOM 369 CA LEU A 27 -0.430 -4.339 -8.261 1.00 0.00 C ATOM 370 C LEU A 27 -1.298 -3.232 -8.856 1.00 0.00 C ATOM 371 O LEU A 27 -0.991 -2.051 -8.713 1.00 0.00 O ATOM 372 CB LEU A 27 -0.617 -4.450 -6.732 1.00 0.00 C ATOM 373 CG LEU A 27 -0.949 -3.153 -5.980 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.319 -2.607 -6.357 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.887 -3.397 -4.489 1.00 0.00 C ATOM 0 H LEU A 27 1.384 -3.301 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.739 -5.294 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.413 -5.169 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.297 -4.865 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.208 -2.407 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.511 -1.689 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.345 -2.395 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.084 -3.345 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.123 -2.474 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.609 -4.167 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.116 -3.726 -4.216 1.00 0.00 H new ATOM 387 N THR A 28 -2.362 -3.616 -9.552 1.00 0.00 N ATOM 388 CA THR A 28 -3.240 -2.643 -10.198 1.00 0.00 C ATOM 389 C THR A 28 -4.642 -2.629 -9.597 1.00 0.00 C ATOM 390 O THR A 28 -5.400 -3.588 -9.740 1.00 0.00 O ATOM 391 CB THR A 28 -3.333 -2.950 -11.692 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.101 -3.451 -12.178 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.700 -1.746 -12.531 1.00 0.00 C ATOM 0 H THR A 28 -2.638 -4.589 -9.684 1.00 0.00 H new ATOM 0 HA THR A 28 -2.804 -1.657 -10.035 1.00 0.00 H new ATOM 0 HB THR A 28 -4.127 -3.691 -11.784 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.181 -3.643 -13.136 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.749 -2.035 -13.581 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.671 -1.364 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.946 -0.970 -12.403 1.00 0.00 H new ATOM 401 N TRP A 29 -4.993 -1.519 -8.951 1.00 0.00 N ATOM 402 CA TRP A 29 -6.306 -1.360 -8.367 1.00 0.00 C ATOM 403 C TRP A 29 -7.230 -0.696 -9.377 1.00 0.00 C ATOM 404 O TRP A 29 -7.066 0.478 -9.697 1.00 0.00 O ATOM 405 CB TRP A 29 -6.230 -0.496 -7.110 1.00 0.00 C ATOM 406 CG TRP A 29 -7.578 -0.166 -6.557 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.281 -0.905 -5.666 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.391 0.972 -6.872 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.486 -0.301 -5.390 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.575 0.854 -6.120 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.232 2.078 -7.712 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.594 1.801 -6.185 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.245 3.016 -7.776 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.412 2.873 -7.016 1.00 0.00 C ATOM 0 H TRP A 29 -4.376 -0.717 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.692 -2.343 -8.097 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.647 -1.017 -6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.700 0.428 -7.340 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.944 -1.836 -5.234 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.195 -0.655 -4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.334 2.197 -8.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.496 1.693 -5.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.134 3.874 -8.423 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.185 3.624 -7.087 1.00 0.00 H new ATOM 425 N ARG A 30 -8.195 -1.451 -9.882 1.00 0.00 N ATOM 426 CA ARG A 30 -9.136 -0.921 -10.865 1.00 0.00 C ATOM 427 C ARG A 30 -10.534 -0.789 -10.274 1.00 0.00 C ATOM 428 O ARG A 30 -11.049 -1.723 -9.669 1.00 0.00 O ATOM 429 CB ARG A 30 -9.176 -1.825 -12.099 1.00 0.00 C ATOM 430 CG ARG A 30 -9.776 -1.155 -13.324 1.00 0.00 C ATOM 431 CD ARG A 30 -10.549 -2.146 -14.179 1.00 0.00 C ATOM 432 NE ARG A 30 -10.363 -1.901 -15.607 1.00 0.00 N ATOM 433 CZ ARG A 30 -10.679 -2.778 -16.558 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.197 -3.957 -16.237 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.478 -2.474 -17.832 1.00 0.00 N ATOM 0 H ARG A 30 -8.349 -2.428 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.793 0.072 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.163 -2.151 -12.333 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.753 -2.720 -11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.439 -0.349 -13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.982 -0.702 -13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.226 -3.159 -13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.610 -2.084 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.968 -1.005 -15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.355 -4.195 -15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.437 -4.625 -16.969 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.081 -1.569 -18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.720 -3.145 -18.561 1.00 0.00 H new ATOM 449 N SER A 31 -11.152 0.374 -10.462 1.00 0.00 N ATOM 450 CA SER A 31 -12.497 0.613 -9.945 1.00 0.00 C ATOM 451 C SER A 31 -13.431 -0.530 -10.340 1.00 0.00 C ATOM 452 O SER A 31 -13.143 -1.281 -11.272 1.00 0.00 O ATOM 453 CB SER A 31 -13.043 1.938 -10.480 1.00 0.00 C ATOM 454 OG SER A 31 -12.463 3.039 -9.803 1.00 0.00 O ATOM 0 H SER A 31 -10.746 1.162 -10.966 1.00 0.00 H new ATOM 0 HA SER A 31 -12.443 0.664 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.838 2.015 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.126 1.963 -10.361 1.00 0.00 H new ATOM 0 HG SER A 31 -11.929 2.714 -9.048 1.00 0.00 H new ATOM 460 N THR A 32 -14.547 -0.659 -9.631 1.00 0.00 N ATOM 461 CA THR A 32 -15.509 -1.712 -9.920 1.00 0.00 C ATOM 462 C THR A 32 -16.299 -1.357 -11.166 1.00 0.00 C ATOM 463 O THR A 32 -16.625 -2.217 -11.984 1.00 0.00 O ATOM 464 CB THR A 32 -16.452 -1.918 -8.731 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.749 -2.426 -7.613 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.588 -2.872 -9.027 1.00 0.00 C ATOM 0 H THR A 32 -14.806 -0.049 -8.855 1.00 0.00 H new ATOM 0 HA THR A 32 -14.971 -2.644 -10.094 1.00 0.00 H new ATOM 0 HB THR A 32 -16.869 -0.933 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.792 -1.779 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.218 -2.973 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.183 -2.484 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.183 -3.847 -9.297 1.00 0.00 H new ATOM 474 N ASP A 33 -16.594 -0.077 -11.296 1.00 0.00 N ATOM 475 CA ASP A 33 -17.341 0.427 -12.437 1.00 0.00 C ATOM 476 C ASP A 33 -16.414 0.721 -13.615 1.00 0.00 C ATOM 477 O ASP A 33 -16.871 0.900 -14.744 1.00 0.00 O ATOM 478 CB ASP A 33 -18.114 1.689 -12.051 1.00 0.00 C ATOM 479 CG ASP A 33 -17.233 2.730 -11.390 1.00 0.00 C ATOM 480 OD1 ASP A 33 -16.490 2.369 -10.452 1.00 0.00 O ATOM 481 OD2 ASP A 33 -17.285 3.904 -11.809 1.00 0.00 O ATOM 0 H ASP A 33 -16.326 0.639 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.048 -0.344 -12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.571 2.118 -12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.925 1.421 -11.374 1.00 0.00 H new ATOM 486 N GLY A 34 -15.111 0.772 -13.347 1.00 0.00 N ATOM 487 CA GLY A 34 -14.149 1.048 -14.398 1.00 0.00 C ATOM 488 C GLY A 34 -13.954 2.533 -14.624 1.00 0.00 C ATOM 489 O GLY A 34 -13.746 2.974 -15.755 1.00 0.00 O ATOM 0 H GLY A 34 -14.706 0.627 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.192 0.593 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.484 0.583 -15.325 1.00 0.00 H new ATOM 493 N ASP A 35 -14.028 3.307 -13.547 1.00 0.00 N ATOM 494 CA ASP A 35 -13.863 4.753 -13.633 1.00 0.00 C ATOM 495 C ASP A 35 -12.392 5.148 -13.579 1.00 0.00 C ATOM 496 O ASP A 35 -12.002 6.197 -14.090 1.00 0.00 O ATOM 497 CB ASP A 35 -14.633 5.444 -12.506 1.00 0.00 C ATOM 498 CG ASP A 35 -15.962 6.006 -12.973 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.623 5.352 -13.807 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.341 7.100 -12.506 1.00 0.00 O ATOM 0 H ASP A 35 -14.201 2.957 -12.605 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.266 5.077 -14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.806 4.732 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.025 6.250 -12.095 1.00 0.00 H new ATOM 505 N LYS A 36 -11.579 4.305 -12.954 1.00 0.00 N ATOM 506 CA LYS A 36 -10.151 4.575 -12.834 1.00 0.00 C ATOM 507 C LYS A 36 -9.420 3.414 -12.182 1.00 0.00 C ATOM 508 O LYS A 36 -10.029 2.543 -11.562 1.00 0.00 O ATOM 509 CB LYS A 36 -9.920 5.857 -12.034 1.00 0.00 C ATOM 510 CG LYS A 36 -10.285 5.734 -10.561 1.00 0.00 C ATOM 511 CD LYS A 36 -11.482 6.602 -10.204 1.00 0.00 C ATOM 512 CE LYS A 36 -11.050 7.995 -9.774 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.408 8.746 -10.889 1.00 0.00 N ATOM 0 H LYS A 36 -11.882 3.431 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.750 4.703 -13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.871 6.142 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.505 6.662 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.508 4.693 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.431 6.023 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.149 6.675 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.048 6.131 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.917 8.549 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.353 7.918 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.313 9.747 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.467 8.347 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.996 8.669 -11.743 1.00 0.00 H new ATOM 527 N VAL A 37 -8.108 3.406 -12.356 1.00 0.00 N ATOM 528 CA VAL A 37 -7.269 2.354 -11.821 1.00 0.00 C ATOM 529 C VAL A 37 -5.909 2.902 -11.392 1.00 0.00 C ATOM 530 O VAL A 37 -5.373 3.818 -12.013 1.00 0.00 O ATOM 531 CB VAL A 37 -7.082 1.248 -12.876 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.934 1.863 -14.263 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.895 0.344 -12.544 1.00 0.00 C ATOM 0 H VAL A 37 -7.600 4.126 -12.870 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.760 1.937 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.973 0.620 -12.867 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.802 1.071 -15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.828 2.438 -14.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.065 2.521 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.796 -0.423 -13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.983 0.940 -12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.058 -0.130 -11.576 1.00 0.00 H new ATOM 543 N HIS A 38 -5.358 2.329 -10.328 1.00 0.00 N ATOM 544 CA HIS A 38 -4.061 2.755 -9.817 1.00 0.00 C ATOM 545 C HIS A 38 -3.064 1.601 -9.842 1.00 0.00 C ATOM 546 O HIS A 38 -3.287 0.561 -9.222 1.00 0.00 O ATOM 547 CB HIS A 38 -4.201 3.291 -8.391 1.00 0.00 C ATOM 548 CG HIS A 38 -4.718 4.695 -8.328 1.00 0.00 C ATOM 549 ND1 HIS A 38 -3.911 5.785 -8.077 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.970 5.186 -8.488 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.644 6.884 -8.084 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.897 6.548 -8.331 1.00 0.00 N ATOM 0 H HIS A 38 -5.789 1.568 -9.803 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.688 3.551 -10.461 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.872 2.640 -7.831 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.230 3.248 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.860 4.613 -8.700 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.280 7.887 -7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.683 7.195 -8.395 1.00 0.00 H new ATOM 561 N THR A 39 -1.963 1.790 -10.562 1.00 0.00 N ATOM 562 CA THR A 39 -0.933 0.762 -10.666 1.00 0.00 C ATOM 563 C THR A 39 0.187 1.017 -9.662 1.00 0.00 C ATOM 564 O THR A 39 0.728 2.120 -9.588 1.00 0.00 O ATOM 565 CB THR A 39 -0.365 0.717 -12.086 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.246 1.344 -13.000 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.113 -0.690 -12.583 1.00 0.00 C ATOM 0 H THR A 39 -1.761 2.644 -11.082 1.00 0.00 H new ATOM 0 HA THR A 39 -1.390 -0.201 -10.439 1.00 0.00 H new ATOM 0 HB THR A 39 0.588 1.244 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.864 1.306 -13.901 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.289 -0.652 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.603 -1.185 -11.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.049 -1.248 -12.585 1.00 0.00 H new ATOM 575 N VAL A 40 0.520 -0.007 -8.885 1.00 0.00 N ATOM 576 CA VAL A 40 1.566 0.105 -7.878 1.00 0.00 C ATOM 577 C VAL A 40 2.753 -0.790 -8.204 1.00 0.00 C ATOM 578 O VAL A 40 2.583 -1.931 -8.625 1.00 0.00 O ATOM 579 CB VAL A 40 1.025 -0.267 -6.476 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.824 -1.402 -5.840 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.026 0.941 -5.564 1.00 0.00 C ATOM 0 H VAL A 40 0.079 -0.926 -8.934 1.00 0.00 H new ATOM 0 HA VAL A 40 1.896 1.144 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 40 0.000 -0.613 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.411 -1.631 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.766 -2.287 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.866 -1.099 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.642 0.657 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.044 1.318 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.393 1.719 -5.990 1.00 0.00 H new ATOM 591 N VAL A 41 3.950 -0.275 -7.965 1.00 0.00 N ATOM 592 CA VAL A 41 5.165 -1.039 -8.187 1.00 0.00 C ATOM 593 C VAL A 41 5.715 -1.503 -6.846 1.00 0.00 C ATOM 594 O VAL A 41 6.406 -0.752 -6.158 1.00 0.00 O ATOM 595 CB VAL A 41 6.237 -0.217 -8.926 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.433 -1.090 -9.280 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.651 0.426 -10.173 1.00 0.00 C ATOM 0 H VAL A 41 4.104 0.671 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 41 4.915 -1.894 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 41 6.580 0.576 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.179 -0.491 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.868 -1.498 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.109 -1.907 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.423 1.003 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.278 -0.350 -10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.831 1.087 -9.891 1.00 0.00 H new ATOM 607 N LEU A 42 5.386 -2.739 -6.469 1.00 0.00 N ATOM 608 CA LEU A 42 5.824 -3.307 -5.194 1.00 0.00 C ATOM 609 C LEU A 42 7.293 -2.983 -4.899 1.00 0.00 C ATOM 610 O LEU A 42 7.708 -2.955 -3.741 1.00 0.00 O ATOM 611 CB LEU A 42 5.611 -4.822 -5.190 1.00 0.00 C ATOM 612 CG LEU A 42 4.158 -5.308 -5.054 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.756 -5.426 -3.599 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.187 -4.394 -5.773 1.00 0.00 C ATOM 0 H LEU A 42 4.814 -3.369 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 42 5.220 -2.853 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.022 -5.227 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.191 -5.246 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 42 4.113 -6.293 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.724 -5.771 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.410 -6.139 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.844 -4.452 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.172 -4.773 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.252 -3.391 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.437 -4.359 -6.833 1.00 0.00 H new ATOM 626 N SER A 43 8.068 -2.725 -5.949 1.00 0.00 N ATOM 627 CA SER A 43 9.478 -2.388 -5.796 1.00 0.00 C ATOM 628 C SER A 43 9.609 -0.966 -5.286 1.00 0.00 C ATOM 629 O SER A 43 10.329 -0.702 -4.323 1.00 0.00 O ATOM 630 CB SER A 43 10.219 -2.546 -7.125 1.00 0.00 C ATOM 631 OG SER A 43 11.328 -1.667 -7.206 1.00 0.00 O ATOM 0 H SER A 43 7.742 -2.743 -6.915 1.00 0.00 H new ATOM 0 HA SER A 43 9.927 -3.071 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.560 -3.576 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.535 -2.349 -7.950 1.00 0.00 H new ATOM 0 HG SER A 43 11.955 -1.993 -7.885 1.00 0.00 H new ATOM 637 N THR A 44 8.882 -0.052 -5.921 1.00 0.00 N ATOM 638 CA THR A 44 8.892 1.330 -5.511 1.00 0.00 C ATOM 639 C THR A 44 8.298 1.436 -4.115 1.00 0.00 C ATOM 640 O THR A 44 8.644 2.332 -3.346 1.00 0.00 O ATOM 641 CB THR A 44 8.086 2.166 -6.499 1.00 0.00 C ATOM 642 OG1 THR A 44 6.716 1.814 -6.456 1.00 0.00 O ATOM 643 CG2 THR A 44 8.557 2.021 -7.930 1.00 0.00 C ATOM 0 H THR A 44 8.281 -0.253 -6.721 1.00 0.00 H new ATOM 0 HA THR A 44 9.915 1.706 -5.495 1.00 0.00 H new ATOM 0 HB THR A 44 8.235 3.201 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.630 0.860 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.941 2.642 -8.580 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.597 2.338 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.472 0.979 -8.237 1.00 0.00 H new ATOM 651 N ILE A 45 7.412 0.493 -3.787 1.00 0.00 N ATOM 652 CA ILE A 45 6.790 0.467 -2.473 1.00 0.00 C ATOM 653 C ILE A 45 7.853 0.409 -1.374 1.00 0.00 C ATOM 654 O ILE A 45 8.504 -0.618 -1.183 1.00 0.00 O ATOM 655 CB ILE A 45 5.847 -0.744 -2.323 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.744 -0.702 -3.384 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.251 -0.784 -0.924 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.816 0.488 -3.259 1.00 0.00 C ATOM 0 H ILE A 45 7.114 -0.256 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 45 6.208 1.383 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 45 6.427 -1.655 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.204 -0.689 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.156 -1.617 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.588 -1.645 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.052 -0.866 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.685 0.130 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.063 0.446 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.326 0.466 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.391 1.409 -3.355 1.00 0.00 H new ATOM 670 N ASP A 46 8.023 1.517 -0.659 1.00 0.00 N ATOM 671 CA ASP A 46 9.009 1.594 0.417 1.00 0.00 C ATOM 672 C ASP A 46 8.797 0.487 1.447 1.00 0.00 C ATOM 673 O ASP A 46 9.742 0.050 2.104 1.00 0.00 O ATOM 674 CB ASP A 46 8.938 2.960 1.102 1.00 0.00 C ATOM 675 CG ASP A 46 10.131 3.218 2.001 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.472 2.327 2.806 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.725 4.312 1.899 1.00 0.00 O ATOM 0 H ASP A 46 7.491 2.375 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 46 9.996 1.462 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.882 3.741 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.023 3.021 1.691 1.00 0.00 H new ATOM 682 N LYS A 47 7.553 0.035 1.585 1.00 0.00 N ATOM 683 CA LYS A 47 7.227 -1.021 2.535 1.00 0.00 C ATOM 684 C LYS A 47 5.781 -1.479 2.364 1.00 0.00 C ATOM 685 O LYS A 47 4.965 -0.783 1.762 1.00 0.00 O ATOM 686 CB LYS A 47 7.465 -0.542 3.971 1.00 0.00 C ATOM 687 CG LYS A 47 6.438 0.467 4.464 1.00 0.00 C ATOM 688 CD LYS A 47 6.640 0.796 5.936 1.00 0.00 C ATOM 689 CE LYS A 47 7.096 2.234 6.129 1.00 0.00 C ATOM 690 NZ LYS A 47 7.777 2.429 7.439 1.00 0.00 N ATOM 0 H LYS A 47 6.757 0.384 1.051 1.00 0.00 H new ATOM 0 HA LYS A 47 7.881 -1.870 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.460 -1.405 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.457 -0.096 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.511 1.380 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.434 0.069 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.708 0.633 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.379 0.118 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.775 2.511 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.235 2.900 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.073 3.422 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.122 2.189 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.613 1.813 7.491 1.00 0.00 H new ATOM 704 N LEU A 48 5.477 -2.656 2.893 1.00 0.00 N ATOM 705 CA LEU A 48 4.135 -3.218 2.796 1.00 0.00 C ATOM 706 C LEU A 48 3.434 -3.198 4.154 1.00 0.00 C ATOM 707 O LEU A 48 3.899 -3.817 5.110 1.00 0.00 O ATOM 708 CB LEU A 48 4.215 -4.653 2.278 1.00 0.00 C ATOM 709 CG LEU A 48 2.869 -5.338 2.059 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.116 -4.673 0.918 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.071 -6.819 1.781 1.00 0.00 C ATOM 0 H LEU A 48 6.143 -3.243 3.395 1.00 0.00 H new ATOM 0 HA LEU A 48 3.556 -2.609 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.763 -4.653 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.796 -5.246 2.984 1.00 0.00 H new ATOM 0 HG LEU A 48 2.273 -5.237 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.158 -5.173 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.945 -3.623 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.704 -4.745 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.103 -7.296 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.682 -6.941 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.573 -7.283 2.630 1.00 0.00 H new ATOM 723 N GLN A 49 2.313 -2.484 4.234 1.00 0.00 N ATOM 724 CA GLN A 49 1.552 -2.389 5.474 1.00 0.00 C ATOM 725 C GLN A 49 0.159 -2.980 5.300 1.00 0.00 C ATOM 726 O GLN A 49 -0.430 -2.884 4.231 1.00 0.00 O ATOM 727 CB GLN A 49 1.433 -0.928 5.908 1.00 0.00 C ATOM 728 CG GLN A 49 1.544 -0.725 7.410 1.00 0.00 C ATOM 729 CD GLN A 49 1.507 0.738 7.805 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.340 1.204 8.582 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.537 1.472 7.270 1.00 0.00 N ATOM 0 H GLN A 49 1.913 -1.963 3.453 1.00 0.00 H new ATOM 0 HA GLN A 49 2.082 -2.955 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.211 -0.347 5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.476 -0.534 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.728 -1.252 7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.473 -1.170 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.132 1.044 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.462 2.463 7.499 1.00 0.00 H new ATOM 740 N ALA A 50 -0.362 -3.598 6.354 1.00 0.00 N ATOM 741 CA ALA A 50 -1.685 -4.198 6.304 1.00 0.00 C ATOM 742 C ALA A 50 -2.279 -4.330 7.704 1.00 0.00 C ATOM 743 O ALA A 50 -1.556 -4.566 8.671 1.00 0.00 O ATOM 744 CB ALA A 50 -1.601 -5.550 5.626 1.00 0.00 C ATOM 0 H ALA A 50 0.113 -3.695 7.251 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.345 -3.550 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.593 -6.000 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.220 -5.426 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.929 -6.198 6.189 1.00 0.00 H new ATOM 750 N THR A 51 -3.599 -4.179 7.811 1.00 0.00 N ATOM 751 CA THR A 51 -4.274 -4.285 9.101 1.00 0.00 C ATOM 752 C THR A 51 -3.901 -5.589 9.808 1.00 0.00 C ATOM 753 O THR A 51 -3.815 -6.642 9.176 1.00 0.00 O ATOM 754 CB THR A 51 -5.789 -4.207 8.915 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.242 -5.229 8.045 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.255 -2.882 8.350 1.00 0.00 C ATOM 0 H THR A 51 -4.218 -3.984 7.024 1.00 0.00 H new ATOM 0 HA THR A 51 -3.948 -3.451 9.722 1.00 0.00 H new ATOM 0 HB THR A 51 -6.209 -4.326 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.583 -5.981 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.340 -2.893 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.965 -2.077 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.796 -2.721 7.375 1.00 0.00 H new ATOM 847 N MET A 58 -10.004 -4.993 7.979 1.00 0.00 N ATOM 848 CA MET A 58 -9.178 -5.656 6.974 1.00 0.00 C ATOM 849 C MET A 58 -8.787 -4.677 5.873 1.00 0.00 C ATOM 850 O MET A 58 -9.603 -4.328 5.020 1.00 0.00 O ATOM 851 CB MET A 58 -9.926 -6.848 6.375 1.00 0.00 C ATOM 852 CG MET A 58 -11.387 -6.561 6.068 1.00 0.00 C ATOM 853 SD MET A 58 -12.473 -6.895 7.468 1.00 0.00 S ATOM 854 CE MET A 58 -12.257 -8.663 7.651 1.00 0.00 C ATOM 0 HA MET A 58 -8.270 -6.016 7.458 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.425 -7.156 5.457 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.868 -7.688 7.068 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.493 -5.517 5.772 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.701 -7.167 5.218 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.176 -8.912 8.709 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.115 -9.181 7.221 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.349 -8.974 7.134 1.00 0.00 H new ATOM 864 N MET A 59 -7.537 -4.228 5.903 1.00 0.00 N ATOM 865 CA MET A 59 -7.044 -3.278 4.913 1.00 0.00 C ATOM 866 C MET A 59 -5.554 -3.460 4.654 1.00 0.00 C ATOM 867 O MET A 59 -4.791 -3.791 5.559 1.00 0.00 O ATOM 868 CB MET A 59 -7.303 -1.851 5.390 1.00 0.00 C ATOM 869 CG MET A 59 -8.729 -1.613 5.857 1.00 0.00 C ATOM 870 SD MET A 59 -9.070 0.127 6.189 1.00 0.00 S ATOM 871 CE MET A 59 -8.428 0.286 7.854 1.00 0.00 C ATOM 0 H MET A 59 -6.848 -4.506 6.601 1.00 0.00 H new ATOM 0 HA MET A 59 -7.578 -3.464 3.981 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.619 -1.621 6.207 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.075 -1.159 4.579 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.421 -1.976 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.913 -2.194 6.761 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.566 1.310 8.201 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.961 -0.397 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.366 0.041 7.859 1.00 0.00 H new ATOM 881 N LEU A 60 -5.147 -3.219 3.415 1.00 0.00 N ATOM 882 CA LEU A 60 -3.741 -3.330 3.036 1.00 0.00 C ATOM 883 C LEU A 60 -3.217 -1.993 2.520 1.00 0.00 C ATOM 884 O LEU A 60 -3.965 -1.207 1.939 1.00 0.00 O ATOM 885 CB LEU A 60 -3.544 -4.406 1.966 1.00 0.00 C ATOM 886 CG LEU A 60 -4.104 -5.791 2.303 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.635 -6.801 1.278 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.674 -6.235 3.690 1.00 0.00 C ATOM 0 H LEU A 60 -5.769 -2.945 2.654 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.180 -3.615 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.008 -4.062 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.477 -4.505 1.769 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.192 -5.728 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.037 -7.783 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.983 -6.504 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.546 -6.844 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.087 -7.222 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.586 -6.280 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.040 -5.523 4.430 1.00 0.00 H new ATOM 900 N ARG A 61 -1.932 -1.737 2.741 1.00 0.00 N ATOM 901 CA ARG A 61 -1.316 -0.491 2.304 1.00 0.00 C ATOM 902 C ARG A 61 0.125 -0.706 1.854 1.00 0.00 C ATOM 903 O ARG A 61 0.838 -1.546 2.400 1.00 0.00 O ATOM 904 CB ARG A 61 -1.335 0.527 3.441 1.00 0.00 C ATOM 905 CG ARG A 61 -0.984 1.940 3.002 1.00 0.00 C ATOM 906 CD ARG A 61 -0.678 2.837 4.192 1.00 0.00 C ATOM 907 NE ARG A 61 -1.492 4.049 4.186 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.252 5.107 4.958 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.224 5.106 5.797 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.043 6.170 4.890 1.00 0.00 N ATOM 0 H ARG A 61 -1.298 -2.376 3.220 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.892 -0.119 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.326 0.533 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.633 0.210 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.121 1.911 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.812 2.361 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.854 2.286 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.377 3.109 4.179 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.291 4.088 3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.388 4.292 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.045 5.920 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.834 6.176 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.860 6.981 5.481 1.00 0.00 H new ATOM 924 N LEU A 62 0.552 0.079 0.873 1.00 0.00 N ATOM 925 CA LEU A 62 1.916 0.004 0.365 1.00 0.00 C ATOM 926 C LEU A 62 2.542 1.394 0.358 1.00 0.00 C ATOM 927 O LEU A 62 2.103 2.274 -0.380 1.00 0.00 O ATOM 928 CB LEU A 62 1.945 -0.589 -1.045 1.00 0.00 C ATOM 929 CG LEU A 62 1.358 -1.995 -1.176 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.079 -1.952 -1.987 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.362 -2.954 -1.810 1.00 0.00 C ATOM 0 H LEU A 62 -0.030 0.778 0.411 1.00 0.00 H new ATOM 0 HA LEU A 62 2.491 -0.650 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.400 0.078 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.979 -0.611 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 62 1.130 -2.364 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.331 -2.958 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.646 -1.307 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.292 -1.560 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.917 -3.946 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.631 -2.595 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.256 -3.007 -1.189 1.00 0.00 H new ATOM 943 N ILE A 63 3.558 1.595 1.188 1.00 0.00 N ATOM 944 CA ILE A 63 4.218 2.892 1.267 1.00 0.00 C ATOM 945 C ILE A 63 5.147 3.110 0.084 1.00 0.00 C ATOM 946 O ILE A 63 5.607 2.156 -0.537 1.00 0.00 O ATOM 947 CB ILE A 63 5.026 3.058 2.568 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.284 2.436 3.755 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.305 4.532 2.824 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.886 2.979 3.951 1.00 0.00 C ATOM 0 H ILE A 63 3.940 0.883 1.811 1.00 0.00 H new ATOM 0 HA ILE A 63 3.422 3.637 1.253 1.00 0.00 H new ATOM 0 HB ILE A 63 5.976 2.535 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.228 1.357 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.861 2.608 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.877 4.639 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.877 4.944 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.362 5.070 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.423 2.492 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.934 4.054 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.291 2.783 3.059 1.00 0.00 H new ATOM 962 N GLY A 64 5.418 4.375 -0.221 1.00 0.00 N ATOM 963 CA GLY A 64 6.293 4.701 -1.329 1.00 0.00 C ATOM 964 C GLY A 64 7.549 5.422 -0.883 1.00 0.00 C ATOM 965 O GLY A 64 7.735 5.683 0.306 1.00 0.00 O ATOM 0 H GLY A 64 5.046 5.181 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.570 3.785 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.754 5.324 -2.042 1.00 0.00 H new ATOM 991 N VAL A 66 9.877 8.670 -0.624 1.00 0.00 N ATOM 992 CA VAL A 66 9.770 10.123 -0.612 1.00 0.00 C ATOM 993 C VAL A 66 11.098 10.776 -0.984 1.00 0.00 C ATOM 994 O VAL A 66 12.154 10.151 -0.900 1.00 0.00 O ATOM 995 CB VAL A 66 9.330 10.637 0.773 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.351 10.264 1.830 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.106 12.142 0.750 1.00 0.00 C ATOM 0 HA VAL A 66 9.017 10.393 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 66 8.383 10.159 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.022 10.636 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.452 9.179 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.314 10.708 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.796 12.479 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.032 12.643 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.329 12.383 0.025 1.00 0.00 H new ATOM 1007 N ASP A 67 11.034 12.041 -1.380 1.00 0.00 N ATOM 1008 CA ASP A 67 12.228 12.788 -1.751 1.00 0.00 C ATOM 1009 C ASP A 67 12.785 13.523 -0.538 1.00 0.00 C ATOM 1010 O ASP A 67 12.645 14.740 -0.416 1.00 0.00 O ATOM 1011 CB ASP A 67 11.910 13.782 -2.870 1.00 0.00 C ATOM 1012 CG ASP A 67 11.544 13.093 -4.169 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.352 12.768 -4.353 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.449 12.879 -5.003 1.00 0.00 O ATOM 0 H ASP A 67 10.166 12.572 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 67 12.979 12.086 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.086 14.424 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.773 14.427 -3.035 1.00 0.00 H new ATOM 1019 N GLU A 68 13.408 12.771 0.363 1.00 0.00 N ATOM 1020 CA GLU A 68 13.979 13.342 1.577 1.00 0.00 C ATOM 1021 C GLU A 68 14.942 14.484 1.262 1.00 0.00 C ATOM 1022 O GLU A 68 15.220 15.326 2.117 1.00 0.00 O ATOM 1023 CB GLU A 68 14.704 12.261 2.382 1.00 0.00 C ATOM 1024 CG GLU A 68 13.827 11.067 2.725 1.00 0.00 C ATOM 1025 CD GLU A 68 14.006 9.915 1.756 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.103 9.793 1.174 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.046 9.134 1.580 1.00 0.00 O ATOM 0 H GLU A 68 13.530 11.762 0.275 1.00 0.00 H new ATOM 0 HA GLU A 68 13.157 13.745 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.568 11.915 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.083 12.700 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.060 10.728 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.782 11.377 2.726 1.00 0.00 H new ATOM 1034 N SER A 69 15.448 14.510 0.033 1.00 0.00 N ATOM 1035 CA SER A 69 16.381 15.551 -0.393 1.00 0.00 C ATOM 1036 C SER A 69 15.868 16.940 -0.025 1.00 0.00 C ATOM 1037 O SER A 69 16.650 17.869 0.179 1.00 0.00 O ATOM 1038 CB SER A 69 16.619 15.466 -1.902 1.00 0.00 C ATOM 1039 OG SER A 69 17.522 14.421 -2.218 1.00 0.00 O ATOM 0 H SER A 69 15.228 13.822 -0.687 1.00 0.00 H new ATOM 0 HA SER A 69 17.324 15.387 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.671 15.299 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.014 16.415 -2.265 1.00 0.00 H new ATOM 0 HG SER A 69 17.656 14.387 -3.188 1.00 0.00 H new ATOM 1045 N LYS A 70 14.551 17.071 0.062 1.00 0.00 N ATOM 1046 CA LYS A 70 13.930 18.343 0.409 1.00 0.00 C ATOM 1047 C LYS A 70 14.246 18.723 1.852 1.00 0.00 C ATOM 1048 O LYS A 70 14.939 19.708 2.109 1.00 0.00 O ATOM 1049 CB LYS A 70 12.415 18.268 0.210 1.00 0.00 C ATOM 1050 CG LYS A 70 11.968 18.623 -1.199 1.00 0.00 C ATOM 1051 CD LYS A 70 11.492 20.063 -1.286 1.00 0.00 C ATOM 1052 CE LYS A 70 10.176 20.259 -0.550 1.00 0.00 C ATOM 1053 NZ LYS A 70 10.098 21.594 0.105 1.00 0.00 N ATOM 0 H LYS A 70 13.891 16.311 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 70 14.337 19.110 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.075 17.260 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.930 18.942 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.794 18.469 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.164 17.954 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.249 20.724 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.371 20.345 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.349 20.150 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.061 19.479 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.186 21.687 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.872 21.689 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.182 22.340 -0.615 1.00 0.00 H new ATOM 1067 N LYS A 71 13.736 17.932 2.791 1.00 0.00 N ATOM 1068 CA LYS A 71 13.964 18.182 4.210 1.00 0.00 C ATOM 1069 C LYS A 71 13.405 19.539 4.623 1.00 0.00 C ATOM 1070 O LYS A 71 14.084 20.560 4.517 1.00 0.00 O ATOM 1071 CB LYS A 71 15.460 18.118 4.525 1.00 0.00 C ATOM 1072 CG LYS A 71 15.971 16.706 4.765 1.00 0.00 C ATOM 1073 CD LYS A 71 17.388 16.530 4.244 1.00 0.00 C ATOM 1074 CE LYS A 71 17.814 15.071 4.270 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.956 14.810 3.351 1.00 0.00 N ATOM 0 H LYS A 71 13.162 17.112 2.595 1.00 0.00 H new ATOM 0 HA LYS A 71 13.445 17.409 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.016 18.561 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.663 18.724 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.945 16.485 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.311 15.991 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.452 16.911 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.075 17.122 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.094 14.793 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.970 14.441 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.216 13.804 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.681 15.051 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.770 15.392 3.635 1.00 0.00 H new ATOM 1089 N ARG A 72 12.164 19.541 5.098 1.00 0.00 N ATOM 1090 CA ARG A 72 11.513 20.772 5.531 1.00 0.00 C ATOM 1091 C ARG A 72 11.806 21.050 7.004 1.00 0.00 C ATOM 1092 O ARG A 72 11.552 20.211 7.867 1.00 0.00 O ATOM 1093 CB ARG A 72 10.002 20.688 5.285 1.00 0.00 C ATOM 1094 CG ARG A 72 9.246 19.891 6.337 1.00 0.00 C ATOM 1095 CD ARG A 72 8.897 20.755 7.537 1.00 0.00 C ATOM 1096 NE ARG A 72 7.466 21.043 7.609 1.00 0.00 N ATOM 1097 CZ ARG A 72 6.559 20.182 8.064 1.00 0.00 C ATOM 1098 NH1 ARG A 72 6.929 18.979 8.489 1.00 0.00 N ATOM 1099 NH2 ARG A 72 5.278 20.524 8.097 1.00 0.00 N ATOM 0 H ARG A 72 11.589 18.704 5.193 1.00 0.00 H new ATOM 0 HA ARG A 72 11.914 21.600 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.594 21.698 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.828 20.237 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.334 19.483 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.851 19.044 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.211 20.250 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.453 21.691 7.483 1.00 0.00 H new ATOM 0 HE ARG A 72 7.144 21.957 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.913 18.711 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.229 18.323 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.988 21.447 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.583 19.864 8.446 1.00 0.00 H new ATOM 1113 N LYS A 73 12.347 22.233 7.282 1.00 0.00 N ATOM 1114 CA LYS A 73 12.677 22.620 8.649 1.00 0.00 C ATOM 1115 C LYS A 73 11.422 23.007 9.424 1.00 0.00 C ATOM 1116 O LYS A 73 10.352 23.188 8.842 1.00 0.00 O ATOM 1117 CB LYS A 73 13.671 23.786 8.650 1.00 0.00 C ATOM 1118 CG LYS A 73 14.700 23.715 7.530 1.00 0.00 C ATOM 1119 CD LYS A 73 16.118 23.851 8.062 1.00 0.00 C ATOM 1120 CE LYS A 73 17.010 24.600 7.084 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.155 26.035 7.453 1.00 0.00 N ATOM 0 H LYS A 73 12.566 22.939 6.579 1.00 0.00 H new ATOM 0 HA LYS A 73 13.136 21.762 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.119 24.722 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.191 23.808 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.599 22.767 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.505 24.506 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.101 24.377 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.534 22.861 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.993 24.131 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.593 24.524 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.770 26.511 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.220 26.489 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.577 26.109 8.401 1.00 0.00 H new ATOM 1135 N ASP A 74 11.557 23.129 10.740 1.00 0.00 N ATOM 1136 CA ASP A 74 10.431 23.492 11.594 1.00 0.00 C ATOM 1137 C ASP A 74 10.528 24.941 12.044 1.00 0.00 C ATOM 1138 O ASP A 74 9.577 25.711 11.922 1.00 0.00 O ATOM 1139 CB ASP A 74 10.368 22.568 12.811 1.00 0.00 C ATOM 1140 CG ASP A 74 8.948 22.349 13.297 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.215 21.567 12.655 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.570 22.958 14.319 1.00 0.00 O ATOM 0 H ASP A 74 12.434 22.982 11.239 1.00 0.00 H new ATOM 0 HA ASP A 74 9.517 23.377 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.815 21.607 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.964 22.994 13.618 1.00 0.00 H new ATOM 1147 N ASN A 75 11.689 25.301 12.565 1.00 0.00 N ATOM 1148 CA ASN A 75 11.936 26.661 13.043 1.00 0.00 C ATOM 1149 C ASN A 75 13.298 26.769 13.718 1.00 0.00 C ATOM 1150 O ASN A 75 13.942 27.817 13.676 1.00 0.00 O ATOM 1151 CB ASN A 75 10.836 27.097 14.017 1.00 0.00 C ATOM 1152 CG ASN A 75 10.236 28.440 13.645 1.00 0.00 C ATOM 1153 OD1 ASN A 75 9.787 28.642 12.517 1.00 0.00 O ATOM 1154 ND2 ASN A 75 10.225 29.366 14.596 1.00 0.00 N ATOM 0 H ASN A 75 12.483 24.670 12.670 1.00 0.00 H new ATOM 0 HA ASN A 75 11.928 27.323 12.177 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.049 26.343 14.034 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.247 27.152 15.025 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.833 30.288 14.405 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.608 29.155 15.518 1.00 0.00 H new ATOM 1161 N GLU A 76 13.726 25.682 14.341 1.00 0.00 N ATOM 1162 CA GLU A 76 15.011 25.646 15.032 1.00 0.00 C ATOM 1163 C GLU A 76 16.111 25.116 14.118 1.00 0.00 C ATOM 1164 O GLU A 76 16.964 24.337 14.546 1.00 0.00 O ATOM 1165 CB GLU A 76 14.912 24.777 16.286 1.00 0.00 C ATOM 1166 CG GLU A 76 15.968 25.094 17.331 1.00 0.00 C ATOM 1167 CD GLU A 76 16.281 23.909 18.223 1.00 0.00 C ATOM 1168 OE1 GLU A 76 15.608 23.753 19.263 1.00 0.00 O ATOM 1169 OE2 GLU A 76 17.199 23.134 17.881 1.00 0.00 O ATOM 0 H GLU A 76 13.202 24.808 14.384 1.00 0.00 H new ATOM 0 HA GLU A 76 15.267 26.665 15.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.924 24.905 16.729 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.000 23.729 15.999 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.881 25.420 16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.627 25.927 17.946 1.00 0.00 H new ATOM 1176 N GLY A 77 16.086 25.538 12.859 1.00 0.00 N ATOM 1177 CA GLY A 77 17.086 25.092 11.907 1.00 0.00 C ATOM 1178 C GLY A 77 17.113 23.583 11.752 1.00 0.00 C ATOM 1179 O GLY A 77 18.098 23.021 11.273 1.00 0.00 O ATOM 0 H GLY A 77 15.391 26.181 12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.889 25.549 10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.068 25.438 12.229 1.00 0.00 H new ATOM 1183 N ASN A 78 16.029 22.924 12.155 1.00 0.00 N ATOM 1184 CA ASN A 78 15.938 21.473 12.054 1.00 0.00 C ATOM 1185 C ASN A 78 15.569 21.051 10.636 1.00 0.00 C ATOM 1186 O ASN A 78 15.288 21.889 9.783 1.00 0.00 O ATOM 1187 CB ASN A 78 14.905 20.935 13.045 1.00 0.00 C ATOM 1188 CG ASN A 78 15.517 20.588 14.388 1.00 0.00 C ATOM 1189 OD1 ASN A 78 16.565 19.947 14.458 1.00 0.00 O ATOM 1190 ND2 ASN A 78 14.863 21.010 15.464 1.00 0.00 N ATOM 0 H ASN A 78 15.204 23.372 12.553 1.00 0.00 H new ATOM 0 HA ASN A 78 16.914 21.054 12.297 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.121 21.679 13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.431 20.048 12.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.227 20.805 16.395 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.997 21.539 15.360 1.00 0.00 H new ATOM 1197 N GLU A 79 15.573 19.746 10.393 1.00 0.00 N ATOM 1198 CA GLU A 79 15.238 19.213 9.077 1.00 0.00 C ATOM 1199 C GLU A 79 14.257 18.053 9.196 1.00 0.00 C ATOM 1200 O GLU A 79 14.600 16.985 9.703 1.00 0.00 O ATOM 1201 CB GLU A 79 16.505 18.755 8.353 1.00 0.00 C ATOM 1202 CG GLU A 79 17.656 19.742 8.457 1.00 0.00 C ATOM 1203 CD GLU A 79 18.961 19.172 7.936 1.00 0.00 C ATOM 1204 OE1 GLU A 79 18.912 18.231 7.115 1.00 0.00 O ATOM 1205 OE2 GLU A 79 20.031 19.665 8.349 1.00 0.00 O ATOM 0 H GLU A 79 15.804 19.037 11.089 1.00 0.00 H new ATOM 0 HA GLU A 79 14.765 20.007 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.821 17.796 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.273 18.590 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.408 20.644 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.783 20.038 9.498 1.00 0.00 H new ATOM 1212 N VAL A 80 13.033 18.270 8.726 1.00 0.00 N ATOM 1213 CA VAL A 80 12.001 17.242 8.780 1.00 0.00 C ATOM 1214 C VAL A 80 11.790 16.593 7.418 1.00 0.00 C ATOM 1215 O VAL A 80 11.823 17.263 6.387 1.00 0.00 O ATOM 1216 CB VAL A 80 10.667 17.811 9.271 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.650 16.698 9.485 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.863 18.620 10.545 1.00 0.00 C ATOM 0 H VAL A 80 12.732 19.148 8.304 1.00 0.00 H new ATOM 0 HA VAL A 80 12.350 16.489 9.486 1.00 0.00 H new ATOM 0 HB VAL A 80 10.278 18.479 8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.710 17.126 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.483 16.172 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.028 15.998 10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.903 19.015 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.280 17.979 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.547 19.446 10.350 1.00 0.00 H new ATOM 1228 N VAL A 81 11.564 15.284 7.426 1.00 0.00 N ATOM 1229 CA VAL A 81 11.338 14.539 6.194 1.00 0.00 C ATOM 1230 C VAL A 81 9.889 14.067 6.109 1.00 0.00 C ATOM 1231 O VAL A 81 9.554 12.979 6.580 1.00 0.00 O ATOM 1232 CB VAL A 81 12.276 13.320 6.094 1.00 0.00 C ATOM 1233 CG1 VAL A 81 12.090 12.606 4.764 1.00 0.00 C ATOM 1234 CG2 VAL A 81 13.724 13.746 6.280 1.00 0.00 C ATOM 0 H VAL A 81 11.533 14.717 8.273 1.00 0.00 H new ATOM 0 HA VAL A 81 11.551 15.213 5.364 1.00 0.00 H new ATOM 0 HB VAL A 81 12.019 12.622 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.761 11.749 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.059 12.265 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.316 13.292 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 81 14.372 12.873 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.994 14.465 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.845 14.206 7.261 1.00 0.00 H new ATOM 1244 N PRO A 82 9.006 14.882 5.506 1.00 0.00 N ATOM 1245 CA PRO A 82 7.588 14.545 5.364 1.00 0.00 C ATOM 1246 C PRO A 82 7.371 13.104 4.913 1.00 0.00 C ATOM 1247 O PRO A 82 8.159 12.560 4.139 1.00 0.00 O ATOM 1248 CB PRO A 82 7.107 15.523 4.293 1.00 0.00 C ATOM 1249 CG PRO A 82 7.981 16.717 4.458 1.00 0.00 C ATOM 1250 CD PRO A 82 9.321 16.200 4.918 1.00 0.00 C ATOM 0 HA PRO A 82 7.051 14.623 6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.202 15.096 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.056 15.778 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.076 17.262 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.560 17.409 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.022 16.111 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.777 16.866 5.650 1.00 0.00 H new ATOM 1258 N LYS A 83 6.298 12.492 5.402 1.00 0.00 N ATOM 1259 CA LYS A 83 5.976 11.111 5.052 1.00 0.00 C ATOM 1260 C LYS A 83 5.913 10.927 3.540 1.00 0.00 C ATOM 1261 O LYS A 83 5.667 11.877 2.797 1.00 0.00 O ATOM 1262 CB LYS A 83 4.647 10.696 5.686 1.00 0.00 C ATOM 1263 CG LYS A 83 3.484 11.598 5.303 1.00 0.00 C ATOM 1264 CD LYS A 83 2.499 11.753 6.451 1.00 0.00 C ATOM 1265 CE LYS A 83 2.723 13.053 7.206 1.00 0.00 C ATOM 1266 NZ LYS A 83 3.729 12.899 8.292 1.00 0.00 N ATOM 0 H LYS A 83 5.635 12.930 6.042 1.00 0.00 H new ATOM 0 HA LYS A 83 6.770 10.474 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.416 9.673 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.755 10.697 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.862 12.578 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.971 11.184 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.480 11.727 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.601 10.911 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.055 13.824 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.779 13.393 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.853 13.808 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.401 12.182 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.637 12.600 7.884 1.00 0.00 H new ATOM 1280 N PRO A 84 6.153 9.695 3.068 1.00 0.00 N ATOM 1281 CA PRO A 84 6.147 9.361 1.647 1.00 0.00 C ATOM 1282 C PRO A 84 4.742 9.080 1.123 1.00 0.00 C ATOM 1283 O PRO A 84 3.760 9.206 1.855 1.00 0.00 O ATOM 1284 CB PRO A 84 7.012 8.086 1.581 1.00 0.00 C ATOM 1285 CG PRO A 84 7.458 7.820 2.990 1.00 0.00 C ATOM 1286 CD PRO A 84 6.472 8.518 3.871 1.00 0.00 C ATOM 0 HA PRO A 84 6.520 10.180 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.440 7.246 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.867 8.228 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.478 6.750 3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.467 8.197 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.593 7.905 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.900 8.784 4.837 1.00 0.00 H new ATOM 1311 N ARG A 86 1.969 6.656 0.192 1.00 0.00 N ATOM 1312 CA ARG A 86 1.533 5.290 0.458 1.00 0.00 C ATOM 1313 C ARG A 86 0.142 5.038 -0.113 1.00 0.00 C ATOM 1314 O ARG A 86 -0.718 5.918 -0.084 1.00 0.00 O ATOM 1315 CB ARG A 86 1.536 5.015 1.966 1.00 0.00 C ATOM 1316 CG ARG A 86 1.105 6.202 2.813 1.00 0.00 C ATOM 1317 CD ARG A 86 2.222 7.226 2.952 1.00 0.00 C ATOM 1318 NE ARG A 86 2.761 7.266 4.309 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.123 7.806 5.345 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.923 8.352 5.183 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.684 7.801 6.546 1.00 0.00 N ATOM 0 HA ARG A 86 2.233 4.612 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.873 4.175 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.539 4.712 2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.232 6.674 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.804 5.854 3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.022 6.988 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.845 8.213 2.682 1.00 0.00 H new ATOM 0 HE ARG A 86 3.681 6.856 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.486 8.359 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.438 8.764 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.605 7.383 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.194 8.215 7.339 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.078 3.830 -0.628 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.370 3.472 -1.197 1.00 0.00 C ATOM 1337 C HIS A 87 -2.226 2.766 -0.154 1.00 0.00 C ATOM 1338 O HIS A 87 -1.873 1.689 0.322 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.181 2.574 -2.420 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.037 2.991 -3.293 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.183 3.838 -4.372 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.279 2.681 -3.234 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.995 4.029 -4.940 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.898 3.339 -4.269 1.00 0.00 N ATOM 0 H HIS A 87 0.620 3.087 -0.662 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.878 4.384 -1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.020 1.549 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.098 2.577 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.754 2.037 -2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.186 4.645 -5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.894 3.300 -4.484 1.00 0.00 H new ATOM 1353 N MET A 88 -3.346 3.382 0.207 1.00 0.00 N ATOM 1354 CA MET A 88 -4.238 2.808 1.206 1.00 0.00 C ATOM 1355 C MET A 88 -5.341 1.987 0.552 1.00 0.00 C ATOM 1356 O MET A 88 -6.232 2.529 -0.102 1.00 0.00 O ATOM 1357 CB MET A 88 -4.852 3.915 2.066 1.00 0.00 C ATOM 1358 CG MET A 88 -5.021 3.525 3.527 1.00 0.00 C ATOM 1359 SD MET A 88 -6.544 4.168 4.246 1.00 0.00 S ATOM 1360 CE MET A 88 -6.457 3.476 5.897 1.00 0.00 C ATOM 0 H MET A 88 -3.657 4.275 -0.176 1.00 0.00 H new ATOM 0 HA MET A 88 -3.649 2.145 1.840 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.222 4.803 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.825 4.186 1.656 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.014 2.438 3.612 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.170 3.895 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.333 3.785 6.468 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.430 2.388 5.835 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.555 3.834 6.394 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.276 0.675 0.742 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.269 -0.231 0.182 1.00 0.00 C ATOM 1372 C PHE A 89 -7.124 -0.836 1.289 1.00 0.00 C ATOM 1373 O PHE A 89 -6.620 -1.559 2.148 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.585 -1.344 -0.613 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.770 -0.846 -1.774 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.382 -0.485 -2.964 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.391 -0.746 -1.678 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.634 -0.033 -4.034 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.639 -0.294 -2.746 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.261 0.064 -3.924 1.00 0.00 C ATOM 0 H PHE A 89 -4.543 0.214 1.282 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.913 0.339 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.938 -1.911 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.344 -2.033 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.456 -0.558 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.898 -1.024 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.123 0.244 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.565 -0.221 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.675 0.420 -4.759 1.00 0.00 H new ATOM 1390 N SER A 90 -8.417 -0.539 1.267 1.00 0.00 N ATOM 1391 CA SER A 90 -9.334 -1.061 2.274 1.00 0.00 C ATOM 1392 C SER A 90 -10.118 -2.245 1.726 1.00 0.00 C ATOM 1393 O SER A 90 -10.917 -2.100 0.802 1.00 0.00 O ATOM 1394 CB SER A 90 -10.301 0.031 2.731 1.00 0.00 C ATOM 1395 OG SER A 90 -9.750 1.320 2.527 1.00 0.00 O ATOM 0 H SER A 90 -8.854 0.059 0.566 1.00 0.00 H new ATOM 0 HA SER A 90 -8.744 -1.395 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.239 -0.057 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.535 -0.105 3.787 1.00 0.00 H new ATOM 0 HG SER A 90 -10.389 2.000 2.826 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.880 -3.416 2.300 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.561 -4.629 1.865 1.00 0.00 C ATOM 1403 C PHE A 91 -11.816 -4.890 2.691 1.00 0.00 C ATOM 1404 O PHE A 91 -11.893 -4.519 3.862 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.616 -5.823 1.960 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.540 -5.804 0.917 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.476 -4.924 1.019 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.597 -6.659 -0.167 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.486 -4.901 0.056 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.612 -6.642 -1.133 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.553 -5.762 -1.021 1.00 0.00 C ATOM 0 H PHE A 91 -9.222 -3.553 3.067 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.864 -4.489 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.156 -5.837 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.192 -6.743 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.420 -4.249 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.423 -7.349 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.661 -4.210 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.669 -7.316 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.779 -5.748 -1.774 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.795 -5.538 2.068 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.050 -5.864 2.735 1.00 0.00 C ATOM 1423 C ASN A 92 -14.129 -7.360 3.017 1.00 0.00 C ATOM 1424 O ASN A 92 -15.211 -7.950 3.013 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.237 -5.430 1.875 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.712 -4.028 2.208 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.392 -3.814 3.211 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.353 -3.066 1.366 1.00 0.00 N ATOM 0 H ASN A 92 -12.742 -5.849 1.098 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.087 -5.326 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.955 -5.475 0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.059 -6.132 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.642 -2.103 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.788 -3.290 0.547 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.972 -7.968 3.253 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.891 -9.397 3.529 1.00 0.00 C ATOM 1437 C ASN A 93 -11.460 -9.795 3.858 1.00 0.00 C ATOM 1438 O ASN A 93 -10.576 -9.732 3.003 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.396 -10.198 2.327 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.737 -10.855 2.588 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.369 -10.619 3.617 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.175 -11.687 1.650 1.00 0.00 N ATOM 0 H ASN A 93 -12.071 -7.489 3.259 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.521 -9.619 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.481 -9.537 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.664 -10.964 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.070 -12.161 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.616 -11.852 0.813 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.237 -10.209 5.100 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.909 -10.622 5.535 1.00 0.00 C ATOM 1451 C ARG A 94 -9.372 -11.741 4.652 1.00 0.00 C ATOM 1452 O ARG A 94 -8.170 -11.992 4.617 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.941 -11.075 6.998 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.886 -10.404 7.864 1.00 0.00 C ATOM 1455 CD ARG A 94 -9.501 -9.745 9.088 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.432 -10.633 9.779 1.00 0.00 N ATOM 1457 CZ ARG A 94 -10.054 -11.604 10.609 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.766 -11.813 10.854 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.966 -12.366 11.196 1.00 0.00 N ATOM 0 H ARG A 94 -11.956 -10.267 5.821 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.243 -9.764 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.927 -10.866 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.800 -12.155 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.150 -11.143 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.354 -9.656 7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.709 -9.445 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.023 -8.837 8.787 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.430 -10.502 9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.060 -11.229 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.482 -12.558 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.957 -12.209 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.677 -13.110 11.832 1.00 0.00 H new ATOM 1473 N THR A 95 -10.269 -12.411 3.940 1.00 0.00 N ATOM 1474 CA THR A 95 -9.889 -13.489 3.062 1.00 0.00 C ATOM 1475 C THR A 95 -9.153 -12.956 1.842 1.00 0.00 C ATOM 1476 O THR A 95 -8.113 -13.485 1.451 1.00 0.00 O ATOM 1477 CB THR A 95 -11.135 -14.247 2.650 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.224 -13.928 3.502 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.959 -15.741 2.679 1.00 0.00 C ATOM 0 H THR A 95 -11.270 -12.218 3.960 1.00 0.00 H new ATOM 0 HA THR A 95 -9.211 -14.163 3.585 1.00 0.00 H new ATOM 0 HB THR A 95 -11.333 -13.938 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.019 -14.426 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.888 -16.223 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.160 -16.027 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.702 -16.057 3.690 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.686 -11.891 1.255 1.00 0.00 N ATOM 1488 CA VAL A 96 -9.057 -11.278 0.091 1.00 0.00 C ATOM 1489 C VAL A 96 -7.743 -10.645 0.505 1.00 0.00 C ATOM 1490 O VAL A 96 -6.709 -10.858 -0.127 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.939 -10.195 -0.572 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.834 -10.274 -2.086 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.389 -10.307 -0.125 1.00 0.00 C ATOM 0 H VAL A 96 -10.546 -11.437 1.563 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.903 -12.072 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.570 -9.222 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.462 -9.504 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.798 -10.119 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.167 -11.256 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.980 -9.531 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.780 -11.286 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.447 -10.184 0.957 1.00 0.00 H new ATOM 1503 N MET A 97 -7.792 -9.877 1.587 1.00 0.00 N ATOM 1504 CA MET A 97 -6.600 -9.225 2.102 1.00 0.00 C ATOM 1505 C MET A 97 -5.575 -10.273 2.517 1.00 0.00 C ATOM 1506 O MET A 97 -4.371 -10.084 2.348 1.00 0.00 O ATOM 1507 CB MET A 97 -6.956 -8.309 3.279 1.00 0.00 C ATOM 1508 CG MET A 97 -7.020 -9.011 4.625 1.00 0.00 C ATOM 1509 SD MET A 97 -5.454 -8.950 5.514 1.00 0.00 S ATOM 1510 CE MET A 97 -5.924 -7.965 6.932 1.00 0.00 C ATOM 0 H MET A 97 -8.641 -9.693 2.121 1.00 0.00 H new ATOM 0 HA MET A 97 -6.165 -8.607 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.219 -7.508 3.336 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.920 -7.841 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.798 -8.550 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.308 -10.052 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.101 -7.305 7.206 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.801 -7.367 6.685 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.157 -8.622 7.770 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.068 -11.392 3.046 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.195 -12.480 3.466 1.00 0.00 C ATOM 1522 C ASP A 98 -4.410 -13.013 2.277 1.00 0.00 C ATOM 1523 O ASP A 98 -3.274 -13.465 2.418 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.006 -13.608 4.107 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.109 -13.464 5.613 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.207 -12.841 6.212 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.090 -13.975 6.192 1.00 0.00 O ATOM 0 H ASP A 98 -7.062 -11.566 3.192 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.497 -12.092 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.007 -13.621 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.544 -14.566 3.867 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.024 -12.946 1.103 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.388 -13.409 -0.124 1.00 0.00 C ATOM 1534 C ASN A 99 -3.450 -12.340 -0.673 1.00 0.00 C ATOM 1535 O ASN A 99 -2.280 -12.606 -0.949 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.445 -13.766 -1.171 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.004 -15.162 -0.977 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.524 -16.123 -1.577 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.022 -15.281 -0.134 1.00 0.00 N ATOM 0 H ASN A 99 -5.965 -12.574 0.974 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.806 -14.302 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.259 -13.042 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.007 -13.688 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.438 -16.197 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.389 -14.457 0.342 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.972 -11.126 -0.820 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.185 -10.007 -1.325 1.00 0.00 C ATOM 1548 C ILE A 100 -1.971 -9.762 -0.439 1.00 0.00 C ATOM 1549 O ILE A 100 -0.829 -9.830 -0.895 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.025 -8.716 -1.380 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.237 -8.910 -2.292 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.176 -7.538 -1.844 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.917 -8.822 -3.767 1.00 0.00 C ATOM 0 H ILE A 100 -4.939 -10.892 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.861 -10.268 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.384 -8.493 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.683 -9.883 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.987 -8.157 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.789 -6.637 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.349 -7.390 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.782 -7.743 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.828 -8.970 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.500 -7.840 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.191 -9.592 -4.028 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.232 -9.475 0.830 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.171 -9.217 1.793 1.00 0.00 C ATOM 1567 C LYS A 101 -0.129 -10.330 1.766 1.00 0.00 C ATOM 1568 O LYS A 101 1.052 -10.095 2.019 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.757 -9.101 3.201 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.764 -8.589 4.230 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.971 -9.254 5.583 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.338 -8.930 6.162 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.257 -8.559 7.602 1.00 0.00 N ATOM 0 H LYS A 101 -3.174 -9.415 1.217 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.687 -8.279 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.617 -8.432 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.123 -10.078 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.252 -8.777 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.870 -7.509 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.866 -10.334 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.195 -8.924 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.785 -8.110 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.995 -9.792 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.021 -7.892 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.356 -9.413 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.338 -8.112 7.794 1.00 0.00 H new ATOM 1587 N MET A 102 -0.581 -11.544 1.469 1.00 0.00 N ATOM 1588 CA MET A 102 0.302 -12.701 1.419 1.00 0.00 C ATOM 1589 C MET A 102 1.011 -12.807 0.076 1.00 0.00 C ATOM 1590 O MET A 102 2.137 -13.299 0.003 1.00 0.00 O ATOM 1591 CB MET A 102 -0.486 -13.984 1.691 1.00 0.00 C ATOM 1592 CG MET A 102 -0.657 -14.291 3.170 1.00 0.00 C ATOM 1593 SD MET A 102 -1.222 -15.977 3.467 1.00 0.00 S ATOM 1594 CE MET A 102 -2.912 -15.684 3.982 1.00 0.00 C ATOM 0 H MET A 102 -1.557 -11.751 1.259 1.00 0.00 H new ATOM 0 HA MET A 102 1.059 -12.570 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.470 -13.901 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.021 -14.821 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.292 -14.134 3.682 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.372 -13.591 3.602 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.198 -16.425 4.729 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.994 -14.685 4.411 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.574 -15.763 3.120 1.00 0.00 H new ATOM 1604 N THR A 103 0.355 -12.358 -0.991 1.00 0.00 N ATOM 1605 CA THR A 103 0.950 -12.428 -2.311 1.00 0.00 C ATOM 1606 C THR A 103 1.897 -11.255 -2.541 1.00 0.00 C ATOM 1607 O THR A 103 2.849 -11.357 -3.314 1.00 0.00 O ATOM 1608 CB THR A 103 -0.146 -12.473 -3.381 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.409 -13.810 -3.773 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.192 -11.692 -4.629 1.00 0.00 C ATOM 0 H THR A 103 -0.578 -11.947 -0.963 1.00 0.00 H new ATOM 0 HA THR A 103 1.537 -13.344 -2.382 1.00 0.00 H new ATOM 0 HB THR A 103 -1.017 -12.014 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.393 -14.356 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.630 -11.770 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.351 -10.645 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.099 -12.097 -5.077 1.00 0.00 H new ATOM 1618 N LEU A 104 1.641 -10.146 -1.864 1.00 0.00 N ATOM 1619 CA LEU A 104 2.490 -8.975 -1.999 1.00 0.00 C ATOM 1620 C LEU A 104 3.865 -9.259 -1.404 1.00 0.00 C ATOM 1621 O LEU A 104 4.888 -8.883 -1.972 1.00 0.00 O ATOM 1622 CB LEU A 104 1.860 -7.763 -1.304 1.00 0.00 C ATOM 1623 CG LEU A 104 0.532 -7.280 -1.896 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.256 -6.491 -0.864 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.772 -6.427 -3.132 1.00 0.00 C ATOM 0 H LEU A 104 0.858 -10.033 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 104 2.596 -8.747 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.701 -8.010 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.572 -6.938 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.048 -8.156 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.196 -6.156 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.463 -7.125 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.325 -5.625 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.184 -6.095 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.374 -5.559 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.299 -7.015 -3.883 1.00 0.00 H new ATOM 1637 N GLN A 105 3.870 -9.924 -0.249 1.00 0.00 N ATOM 1638 CA GLN A 105 5.108 -10.259 0.452 1.00 0.00 C ATOM 1639 C GLN A 105 5.968 -11.259 -0.320 1.00 0.00 C ATOM 1640 O GLN A 105 7.172 -11.055 -0.472 1.00 0.00 O ATOM 1641 CB GLN A 105 4.798 -10.835 1.834 1.00 0.00 C ATOM 1642 CG GLN A 105 3.759 -10.047 2.611 1.00 0.00 C ATOM 1643 CD GLN A 105 4.327 -9.420 3.868 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.952 -9.786 4.981 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.242 -8.474 3.695 1.00 0.00 N ATOM 0 H GLN A 105 3.024 -10.243 0.223 1.00 0.00 H new ATOM 0 HA GLN A 105 5.672 -9.331 0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.450 -11.861 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.719 -10.874 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.348 -9.265 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.933 -10.706 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.523 -8.202 2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.664 -8.019 4.504 1.00 0.00 H new ATOM 1654 N GLN A 106 5.360 -12.354 -0.790 1.00 0.00 N ATOM 1655 CA GLN A 106 6.109 -13.378 -1.522 1.00 0.00 C ATOM 1656 C GLN A 106 7.004 -12.747 -2.579 1.00 0.00 C ATOM 1657 O GLN A 106 8.097 -13.238 -2.862 1.00 0.00 O ATOM 1658 CB GLN A 106 5.164 -14.387 -2.172 1.00 0.00 C ATOM 1659 CG GLN A 106 3.996 -13.750 -2.900 1.00 0.00 C ATOM 1660 CD GLN A 106 3.110 -14.772 -3.586 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.258 -15.397 -2.954 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.308 -14.949 -4.887 1.00 0.00 N ATOM 0 H GLN A 106 4.366 -12.551 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 106 6.737 -13.903 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.729 -14.999 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.779 -15.058 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.400 -13.176 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.375 -13.047 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.025 -14.410 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.743 -15.624 -5.402 1.00 0.00 H new ATOM 1671 N ILE A 107 6.532 -11.648 -3.147 1.00 0.00 N ATOM 1672 CA ILE A 107 7.284 -10.927 -4.163 1.00 0.00 C ATOM 1673 C ILE A 107 8.310 -10.005 -3.517 1.00 0.00 C ATOM 1674 O ILE A 107 9.496 -10.059 -3.836 1.00 0.00 O ATOM 1675 CB ILE A 107 6.357 -10.100 -5.065 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.113 -10.905 -5.447 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.114 -9.662 -6.300 1.00 0.00 C ATOM 1678 CD1 ILE A 107 4.019 -10.065 -6.068 1.00 0.00 C ATOM 0 H ILE A 107 5.628 -11.234 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 107 7.796 -11.670 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 107 6.025 -9.216 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.399 -11.690 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.721 -11.398 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.456 -9.075 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.970 -9.055 -6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.461 -10.540 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.168 -10.700 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.706 -9.296 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.394 -9.593 -6.976 1.00 0.00 H new ATOM 1690 N ILE A 108 7.839 -9.163 -2.604 1.00 0.00 N ATOM 1691 CA ILE A 108 8.707 -8.221 -1.892 1.00 0.00 C ATOM 1692 C ILE A 108 10.011 -8.877 -1.477 1.00 0.00 C ATOM 1693 O ILE A 108 11.093 -8.420 -1.838 1.00 0.00 O ATOM 1694 CB ILE A 108 8.029 -7.655 -0.629 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.637 -7.104 -0.972 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.916 -6.594 0.016 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.376 -5.689 -0.494 1.00 0.00 C ATOM 0 H ILE A 108 6.856 -9.111 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 108 8.906 -7.408 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 108 7.895 -8.458 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.505 -7.137 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.884 -7.763 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.425 -6.202 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.872 -7.039 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.085 -5.782 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.369 -5.387 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.470 -5.648 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.101 -5.012 -0.947 1.00 0.00 H new ATOM 1709 N SER A 109 9.890 -9.951 -0.722 1.00 0.00 N ATOM 1710 CA SER A 109 11.053 -10.695 -0.246 1.00 0.00 C ATOM 1711 C SER A 109 12.047 -10.945 -1.377 1.00 0.00 C ATOM 1712 O SER A 109 13.248 -11.089 -1.144 1.00 0.00 O ATOM 1713 CB SER A 109 10.616 -12.026 0.368 1.00 0.00 C ATOM 1714 OG SER A 109 9.322 -12.393 -0.078 1.00 0.00 O ATOM 0 H SER A 109 8.994 -10.335 -0.420 1.00 0.00 H new ATOM 0 HA SER A 109 11.547 -10.094 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.330 -12.805 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.621 -11.948 1.455 1.00 0.00 H new ATOM 0 HG SER A 109 9.353 -12.603 -1.035 1.00 0.00 H new ATOM 1720 N ARG A 110 11.535 -10.991 -2.599 1.00 0.00 N ATOM 1721 CA ARG A 110 12.367 -11.219 -3.771 1.00 0.00 C ATOM 1722 C ARG A 110 13.188 -9.982 -4.116 1.00 0.00 C ATOM 1723 O ARG A 110 14.245 -10.086 -4.734 1.00 0.00 O ATOM 1724 CB ARG A 110 11.505 -11.626 -4.967 1.00 0.00 C ATOM 1725 CG ARG A 110 10.490 -12.711 -4.646 1.00 0.00 C ATOM 1726 CD ARG A 110 10.007 -13.413 -5.904 1.00 0.00 C ATOM 1727 NE ARG A 110 10.893 -14.504 -6.298 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.556 -15.458 -7.163 1.00 0.00 C ATOM 1729 NH1 ARG A 110 9.355 -15.458 -7.726 1.00 0.00 N ATOM 1730 NH2 ARG A 110 11.424 -16.415 -7.466 1.00 0.00 N ATOM 0 H ARG A 110 10.543 -10.873 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 110 13.056 -12.030 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.979 -10.747 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.154 -11.974 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.937 -13.440 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.640 -12.272 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.003 -13.804 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.938 -12.691 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 110 11.826 -14.537 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.684 -14.724 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.102 -16.191 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.349 -16.419 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.166 -17.146 -8.129 1.00 0.00 H new ATOM 1744 N TYR A 111 12.703 -8.813 -3.712 1.00 0.00 N ATOM 1745 CA TYR A 111 13.408 -7.565 -3.982 1.00 0.00 C ATOM 1746 C TYR A 111 14.591 -7.432 -3.038 1.00 0.00 C ATOM 1747 O TYR A 111 15.651 -6.932 -3.414 1.00 0.00 O ATOM 1748 CB TYR A 111 12.495 -6.341 -3.822 1.00 0.00 C ATOM 1749 CG TYR A 111 11.042 -6.545 -4.215 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.635 -7.616 -5.005 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.072 -5.645 -3.787 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.312 -7.782 -5.349 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.744 -5.806 -4.130 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.369 -6.876 -4.908 1.00 0.00 C ATOM 1755 OH TYR A 111 7.048 -7.042 -5.247 1.00 0.00 O ATOM 0 H TYR A 111 11.828 -8.703 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 111 13.748 -7.598 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.529 -6.020 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.903 -5.526 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.368 -8.328 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.363 -4.804 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.013 -8.619 -5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.005 -5.096 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 111 6.518 -7.188 -4.436 1.00 0.00 H new ATOM 1765 N LYS A 112 14.404 -7.907 -1.812 1.00 0.00 N ATOM 1766 CA LYS A 112 15.456 -7.868 -0.812 1.00 0.00 C ATOM 1767 C LYS A 112 16.384 -9.024 -1.074 1.00 0.00 C ATOM 1768 O LYS A 112 17.608 -8.891 -1.067 1.00 0.00 O ATOM 1769 CB LYS A 112 14.914 -7.957 0.621 1.00 0.00 C ATOM 1770 CG LYS A 112 13.458 -8.341 0.698 1.00 0.00 C ATOM 1771 CD LYS A 112 12.595 -7.236 0.141 1.00 0.00 C ATOM 1772 CE LYS A 112 12.574 -6.039 1.059 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.365 -5.195 0.852 1.00 0.00 N ATOM 0 H LYS A 112 13.531 -8.324 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 112 15.973 -6.912 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.502 -8.687 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.053 -6.994 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.288 -9.261 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.182 -8.541 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.969 -6.939 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.579 -7.603 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.607 -6.377 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.468 -5.438 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.596 -4.202 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.047 -5.281 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.607 -5.512 1.489 1.00 0.00 H new ATOM 1787 N ASP A 113 15.762 -10.159 -1.344 1.00 0.00 N ATOM 1788 CA ASP A 113 16.491 -11.372 -1.661 1.00 0.00 C ATOM 1789 C ASP A 113 17.307 -11.145 -2.923 1.00 0.00 C ATOM 1790 O ASP A 113 18.390 -11.703 -3.092 1.00 0.00 O ATOM 1791 CB ASP A 113 15.531 -12.548 -1.853 1.00 0.00 C ATOM 1792 CG ASP A 113 16.257 -13.858 -2.078 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.175 -14.170 -1.290 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.909 -14.574 -3.040 1.00 0.00 O ATOM 0 H ASP A 113 14.747 -10.264 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 113 17.157 -11.616 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.891 -12.637 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.880 -12.346 -2.704 1.00 0.00 H new ATOM 1799 N ALA A 114 16.777 -10.293 -3.795 1.00 0.00 N ATOM 1800 CA ALA A 114 17.451 -9.953 -5.034 1.00 0.00 C ATOM 1801 C ALA A 114 18.311 -8.707 -4.855 1.00 0.00 C ATOM 1802 O ALA A 114 19.222 -8.450 -5.643 1.00 0.00 O ATOM 1803 CB ALA A 114 16.447 -9.750 -6.158 1.00 0.00 C ATOM 0 H ALA A 114 15.880 -9.826 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 114 18.102 -10.785 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.976 -9.496 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.879 -10.668 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.766 -8.940 -5.896 1.00 0.00 H new