USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 717 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 98 LYS NZ :NH3+ 158:sc= 1.33 (180deg=0) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 30 MET CE :methyl -148:sc= -0.232 (180deg=-0.459) USER MOD Set 2.2: A 35 MET CE :methyl -136:sc= 0 (180deg=-0.31) USER MOD Set 2.3: A 44 ASN : amide:sc= 0.681 K(o=2.6,f=-0.2) USER MOD Set 2.4: A 97 TYR OH : rot -80:sc= 2.16 USER MOD Set 3.1: A 48 HIS : no HD1:sc= 0.175 K(o=-0.22,f=-4.3!) USER MOD Set 3.2: A 82 THR OG1 : rot -80:sc= -0.4 USER MOD Set 4.1: A 76 LYS NZ :NH3+ -163:sc= 2.18 (180deg=0.648) USER MOD Set 4.2: A 77 SER OG : rot 84:sc= 1.27 USER MOD Set 5.1: A 62 LYS NZ :NH3+ -161:sc= 0.456 (180deg=0) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0.32 USER MOD Set 6.1: A 59 SER OG : rot 83:sc= 0.711 USER MOD Set 6.2: A 115 SER OG : rot -6:sc= 0.996 USER MOD Set 7.1: A 34 LYS NZ :NH3+ 172:sc= 1.3 (180deg=0) USER MOD Set 7.2: A 37 GLN : amide:sc= 0.732 K(o=2,f=-9.1!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0) USER MOD Set 8.2: A 11 GLN : amide:sc= 0.271 K(o=1.4,f=-10!) USER MOD Single : A 3 SER OG : rot 35:sc= 0.0642 USER MOD Single : A 12 HIS : no HE2:sc= -1.98 K(o=-2,f=-7.1!) USER MOD Single : A 13 MET CE :methyl 170:sc= -2.16 (180deg=-2.61!) USER MOD Single : A 15 SER OG : rot 94:sc= 1.27 USER MOD Single : A 22 SER OG : rot -116:sc= 1.05 USER MOD Single : A 23 SER OG : rot 180:sc= 0.134 USER MOD Single : A 24 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.15) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 2.11 K(o=2.1,f=-3.2!) USER MOD Single : A 29 MET CE :methyl -178:sc= -0.688 (180deg=-0.745) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0499) USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 1.16 (180deg=-0.563) USER MOD Single : A 45 THR OG1 : rot -77:sc= 1.32 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 70 THR OG1 : rot -39:sc= 1.11 USER MOD Single : A 71 ASN : amide:sc= 1.01 K(o=1,f=-0.09) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -137:sc= 1.68 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 79 MET CE :methyl 179:sc= -1.89 (180deg=-1.89) USER MOD Single : A 87 THR OG1 : rot 140:sc= -0.175 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 154:sc= 1.32 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 88:sc= 0.0415 USER MOD Single : A 94 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 99 THR OG1 : rot -56:sc= 0.846 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0761) USER MOD Single : A 105 HIS : no HD1:sc= -0.23 K(o=-0.23,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc=-0.00094 (180deg=-0.119) USER MOD Single : A 119 HIS : no HE2:sc= 0.89 K(o=0.89,f=-2.7!) USER MOD Single : A 123 SER OG : rot 27:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 3.419 11.302 13.079 1.00 0.00 N ATOM 32 CA SER A 3 3.820 12.458 12.293 1.00 0.00 C ATOM 33 C SER A 3 3.494 12.147 10.832 1.00 0.00 C ATOM 34 O SER A 3 4.348 12.272 9.958 1.00 0.00 O ATOM 35 CB SER A 3 5.288 12.794 12.560 1.00 0.00 C ATOM 36 OG SER A 3 5.460 13.131 13.931 1.00 0.00 O ATOM 0 HA SER A 3 3.275 13.360 12.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.919 11.943 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.602 13.626 11.929 1.00 0.00 H new ATOM 0 HG SER A 3 4.850 12.594 14.479 1.00 0.00 H new ATOM 41 N ALA A 4 2.248 11.703 10.600 1.00 0.00 N ATOM 42 CA ALA A 4 1.663 11.333 9.313 1.00 0.00 C ATOM 43 C ALA A 4 2.333 10.103 8.695 1.00 0.00 C ATOM 44 O ALA A 4 1.685 9.063 8.553 1.00 0.00 O ATOM 45 CB ALA A 4 1.640 12.531 8.358 1.00 0.00 C ATOM 0 H ALA A 4 1.582 11.587 11.363 1.00 0.00 H new ATOM 0 HA ALA A 4 0.629 11.042 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.200 12.230 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.046 13.333 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.658 12.883 8.191 1.00 0.00 H new ATOM 51 N ALA A 5 3.621 10.210 8.355 1.00 0.00 N ATOM 52 CA ALA A 5 4.414 9.142 7.759 1.00 0.00 C ATOM 53 C ALA A 5 4.155 7.824 8.482 1.00 0.00 C ATOM 54 O ALA A 5 3.654 6.887 7.875 1.00 0.00 O ATOM 55 CB ALA A 5 5.900 9.511 7.779 1.00 0.00 C ATOM 0 H ALA A 5 4.152 11.070 8.493 1.00 0.00 H new ATOM 0 HA ALA A 5 4.116 9.015 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.481 8.705 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.055 10.429 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.223 9.662 8.809 1.00 0.00 H new ATOM 61 N ALA A 6 4.383 7.801 9.799 1.00 0.00 N ATOM 62 CA ALA A 6 4.240 6.611 10.631 1.00 0.00 C ATOM 63 C ALA A 6 2.861 5.954 10.495 1.00 0.00 C ATOM 64 O ALA A 6 2.737 4.732 10.570 1.00 0.00 O ATOM 65 CB ALA A 6 4.515 6.988 12.089 1.00 0.00 C ATOM 0 H ALA A 6 4.677 8.626 10.322 1.00 0.00 H new ATOM 0 HA ALA A 6 4.965 5.872 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.411 6.105 12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.528 7.380 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.802 7.748 12.409 1.00 0.00 H new ATOM 71 N LYS A 7 1.812 6.760 10.339 1.00 0.00 N ATOM 72 CA LYS A 7 0.442 6.281 10.259 1.00 0.00 C ATOM 73 C LYS A 7 0.203 5.685 8.876 1.00 0.00 C ATOM 74 O LYS A 7 -0.193 4.527 8.750 1.00 0.00 O ATOM 75 CB LYS A 7 -0.478 7.475 10.542 1.00 0.00 C ATOM 76 CG LYS A 7 -1.979 7.190 10.453 1.00 0.00 C ATOM 77 CD LYS A 7 -2.727 8.533 10.427 1.00 0.00 C ATOM 78 CE LYS A 7 -4.123 8.425 11.054 1.00 0.00 C ATOM 79 NZ LYS A 7 -5.036 7.577 10.261 1.00 0.00 N ATOM 0 H LYS A 7 1.895 7.774 10.264 1.00 0.00 H new ATOM 0 HA LYS A 7 0.239 5.497 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.257 7.852 11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.236 8.272 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.203 6.614 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.303 6.592 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.145 9.282 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.818 8.878 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.035 8.016 12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.552 9.422 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.681 7.070 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.589 8.174 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.482 6.890 9.711 1.00 0.00 H new ATOM 89 N PHE A 8 0.449 6.492 7.842 1.00 0.00 N ATOM 90 CA PHE A 8 0.412 6.064 6.449 1.00 0.00 C ATOM 91 C PHE A 8 1.168 4.731 6.291 1.00 0.00 C ATOM 92 O PHE A 8 0.680 3.774 5.683 1.00 0.00 O ATOM 93 CB PHE A 8 1.014 7.182 5.586 1.00 0.00 C ATOM 94 CG PHE A 8 1.709 6.661 4.355 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.989 5.855 3.458 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.114 6.635 4.341 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.668 5.116 2.479 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.791 5.902 3.361 1.00 0.00 C ATOM 99 CZ PHE A 8 3.069 5.216 2.376 1.00 0.00 C ATOM 0 H PHE A 8 0.683 7.478 7.955 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.612 5.887 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.223 7.870 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.724 7.754 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.088 5.804 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.671 7.181 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.119 4.473 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.870 5.865 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.585 4.766 1.541 1.00 0.00 H new ATOM 108 N GLU A 9 2.377 4.682 6.840 1.00 0.00 N ATOM 109 CA GLU A 9 3.199 3.504 6.971 1.00 0.00 C ATOM 110 C GLU A 9 2.399 2.396 7.614 1.00 0.00 C ATOM 111 O GLU A 9 2.044 1.466 6.909 1.00 0.00 O ATOM 112 CB GLU A 9 4.500 3.798 7.716 1.00 0.00 C ATOM 113 CG GLU A 9 5.486 4.373 6.694 1.00 0.00 C ATOM 114 CD GLU A 9 6.724 5.005 7.318 1.00 0.00 C ATOM 115 OE1 GLU A 9 6.562 5.699 8.344 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.808 4.791 6.736 1.00 0.00 O ATOM 0 H GLU A 9 2.826 5.513 7.224 1.00 0.00 H new ATOM 0 HA GLU A 9 3.499 3.171 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.328 4.507 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.899 2.889 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.798 3.577 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.973 5.122 6.090 1.00 0.00 H new ATOM 121 N ARG A 10 2.084 2.467 8.905 1.00 0.00 N ATOM 122 CA ARG A 10 1.508 1.297 9.551 1.00 0.00 C ATOM 123 C ARG A 10 0.162 0.851 8.944 1.00 0.00 C ATOM 124 O ARG A 10 -0.250 -0.288 9.142 1.00 0.00 O ATOM 125 CB ARG A 10 1.433 1.488 11.068 1.00 0.00 C ATOM 126 CG ARG A 10 2.854 1.549 11.647 1.00 0.00 C ATOM 127 CD ARG A 10 2.861 1.233 13.143 1.00 0.00 C ATOM 128 NE ARG A 10 2.308 2.334 13.949 1.00 0.00 N ATOM 129 CZ ARG A 10 3.009 3.400 14.375 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.266 3.579 13.955 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.453 4.275 15.220 1.00 0.00 N ATOM 0 H ARG A 10 2.211 3.285 9.501 1.00 0.00 H new ATOM 0 HA ARG A 10 2.189 0.469 9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.893 2.405 11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.879 0.666 11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.494 0.840 11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.274 2.541 11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.282 0.327 13.323 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.882 1.028 13.464 1.00 0.00 H new ATOM 0 HE ARG A 10 1.321 2.285 14.203 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.690 2.908 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.801 4.386 14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.496 4.135 15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.986 5.083 15.542 1.00 0.00 H new ATOM 142 N GLN A 11 -0.531 1.726 8.207 1.00 0.00 N ATOM 143 CA GLN A 11 -1.748 1.386 7.468 1.00 0.00 C ATOM 144 C GLN A 11 -1.495 0.576 6.176 1.00 0.00 C ATOM 145 O GLN A 11 -2.461 0.143 5.542 1.00 0.00 O ATOM 146 CB GLN A 11 -2.491 2.689 7.143 1.00 0.00 C ATOM 147 CG GLN A 11 -3.113 3.313 8.405 1.00 0.00 C ATOM 148 CD GLN A 11 -3.745 4.685 8.174 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.283 5.287 9.104 1.00 0.00 O ATOM 150 NE2 GLN A 11 -3.691 5.220 6.958 1.00 0.00 N ATOM 0 H GLN A 11 -0.257 2.703 8.107 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.346 0.733 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.801 3.399 6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.273 2.490 6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.872 2.636 8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.342 3.404 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.242 4.711 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.098 6.139 6.787 1.00 0.00 H new ATOM 157 N HIS A 12 -0.238 0.425 5.738 1.00 0.00 N ATOM 158 CA HIS A 12 0.127 -0.195 4.461 1.00 0.00 C ATOM 159 C HIS A 12 1.414 -1.045 4.558 1.00 0.00 C ATOM 160 O HIS A 12 1.463 -2.191 4.118 1.00 0.00 O ATOM 161 CB HIS A 12 0.193 0.914 3.388 1.00 0.00 C ATOM 162 CG HIS A 12 1.569 1.430 3.072 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.265 2.344 3.834 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.409 0.928 2.118 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.531 2.371 3.370 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.636 1.529 2.320 1.00 0.00 N ATOM 0 H HIS A 12 0.570 0.738 6.275 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.637 -0.916 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.253 0.533 2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.423 1.751 3.718 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.892 2.897 4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.162 0.204 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.333 2.971 3.774 1.00 0.00 H new ATOM 174 N MET A 13 2.479 -0.452 5.096 1.00 0.00 N ATOM 175 CA MET A 13 3.765 -1.055 5.400 1.00 0.00 C ATOM 176 C MET A 13 3.575 -1.973 6.609 1.00 0.00 C ATOM 177 O MET A 13 3.129 -1.518 7.663 1.00 0.00 O ATOM 178 CB MET A 13 4.791 0.078 5.636 1.00 0.00 C ATOM 179 CG MET A 13 5.838 -0.158 6.738 1.00 0.00 C ATOM 180 SD MET A 13 6.915 -1.599 6.559 1.00 0.00 S ATOM 181 CE MET A 13 7.676 -1.159 4.993 1.00 0.00 C ATOM 0 H MET A 13 2.458 0.536 5.347 1.00 0.00 H new ATOM 0 HA MET A 13 4.151 -1.665 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.318 0.261 4.699 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.243 0.989 5.877 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.468 0.729 6.801 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.313 -0.244 7.690 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.507 -1.835 4.790 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.938 -1.240 4.195 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.045 -0.135 5.043 1.00 0.00 H new ATOM 189 N ASP A 14 3.915 -3.251 6.448 1.00 0.00 N ATOM 190 CA ASP A 14 3.853 -4.265 7.486 1.00 0.00 C ATOM 191 C ASP A 14 4.830 -5.357 7.078 1.00 0.00 C ATOM 192 O ASP A 14 4.924 -5.641 5.893 1.00 0.00 O ATOM 193 CB ASP A 14 2.431 -4.835 7.568 1.00 0.00 C ATOM 194 CG ASP A 14 2.426 -6.264 8.096 1.00 0.00 C ATOM 195 OD1 ASP A 14 2.999 -6.468 9.185 1.00 0.00 O ATOM 196 OD2 ASP A 14 1.919 -7.141 7.358 1.00 0.00 O ATOM 0 H ASP A 14 4.253 -3.616 5.557 1.00 0.00 H new ATOM 0 HA ASP A 14 4.107 -3.854 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.823 -4.205 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.972 -4.811 6.580 1.00 0.00 H new ATOM 200 N SER A 15 5.515 -5.992 8.026 1.00 0.00 N ATOM 201 CA SER A 15 6.296 -7.190 7.761 1.00 0.00 C ATOM 202 C SER A 15 5.850 -8.263 8.737 1.00 0.00 C ATOM 203 O SER A 15 6.059 -8.148 9.942 1.00 0.00 O ATOM 204 CB SER A 15 7.805 -6.942 7.860 1.00 0.00 C ATOM 205 OG SER A 15 8.307 -6.611 6.582 1.00 0.00 O ATOM 0 H SER A 15 5.542 -5.687 8.999 1.00 0.00 H new ATOM 0 HA SER A 15 6.119 -7.511 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.007 -6.134 8.564 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.307 -7.831 8.242 1.00 0.00 H new ATOM 0 HG SER A 15 8.326 -5.636 6.480 1.00 0.00 H new ATOM 270 N SER A 22 -2.626 -15.412 3.194 1.00 0.00 N ATOM 271 CA SER A 22 -3.159 -14.291 2.437 1.00 0.00 C ATOM 272 C SER A 22 -4.256 -13.607 3.255 1.00 0.00 C ATOM 273 O SER A 22 -3.959 -12.682 4.015 1.00 0.00 O ATOM 274 CB SER A 22 -3.639 -14.744 1.043 1.00 0.00 C ATOM 275 OG SER A 22 -2.654 -14.472 0.068 1.00 0.00 O ATOM 0 HA SER A 22 -2.373 -13.557 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.860 -15.811 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.565 -14.230 0.786 1.00 0.00 H new ATOM 0 HG SER A 22 -3.003 -13.822 -0.577 1.00 0.00 H new ATOM 280 N SER A 23 -5.511 -14.043 3.088 1.00 0.00 N ATOM 281 CA SER A 23 -6.727 -13.415 3.596 1.00 0.00 C ATOM 282 C SER A 23 -6.604 -13.041 5.071 1.00 0.00 C ATOM 283 O SER A 23 -7.126 -12.009 5.500 1.00 0.00 O ATOM 284 CB SER A 23 -7.904 -14.370 3.351 1.00 0.00 C ATOM 285 OG SER A 23 -7.419 -15.665 3.025 1.00 0.00 O ATOM 0 H SER A 23 -5.711 -14.894 2.563 1.00 0.00 H new ATOM 0 HA SER A 23 -6.897 -12.479 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.533 -14.421 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.528 -13.992 2.541 1.00 0.00 H new ATOM 0 HG SER A 23 -8.176 -16.269 2.872 1.00 0.00 H new ATOM 290 N ASN A 24 -5.893 -13.882 5.823 1.00 0.00 N ATOM 291 CA ASN A 24 -5.512 -13.632 7.202 1.00 0.00 C ATOM 292 C ASN A 24 -5.064 -12.188 7.374 1.00 0.00 C ATOM 293 O ASN A 24 -5.722 -11.416 8.065 1.00 0.00 O ATOM 294 CB ASN A 24 -4.392 -14.578 7.656 1.00 0.00 C ATOM 295 CG ASN A 24 -4.690 -16.052 7.410 1.00 0.00 C ATOM 296 OD1 ASN A 24 -5.793 -16.522 7.656 1.00 0.00 O ATOM 297 ND2 ASN A 24 -3.712 -16.787 6.886 1.00 0.00 N ATOM 0 H ASN A 24 -5.560 -14.780 5.474 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.388 -13.817 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.472 -14.312 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.211 -14.427 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.871 -17.773 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.804 -16.364 6.693 1.00 0.00 H new ATOM 303 N TYR A 25 -3.962 -11.813 6.716 1.00 0.00 N ATOM 304 CA TYR A 25 -3.367 -10.500 6.895 1.00 0.00 C ATOM 305 C TYR A 25 -4.386 -9.420 6.576 1.00 0.00 C ATOM 306 O TYR A 25 -4.462 -8.420 7.281 1.00 0.00 O ATOM 307 CB TYR A 25 -2.160 -10.314 5.965 1.00 0.00 C ATOM 308 CG TYR A 25 -1.014 -11.289 6.133 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.298 -11.329 7.345 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.532 -11.996 5.015 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.876 -12.096 7.446 1.00 0.00 C ATOM 312 CE2 TYR A 25 0.661 -12.728 5.108 1.00 0.00 C ATOM 313 CZ TYR A 25 1.359 -12.792 6.325 1.00 0.00 C ATOM 314 OH TYR A 25 2.509 -13.517 6.411 1.00 0.00 O ATOM 0 H TYR A 25 -3.468 -12.410 6.053 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.042 -10.421 7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.511 -10.377 4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.772 -9.305 6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.651 -10.769 8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.081 -11.975 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.407 -12.150 8.385 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.044 -13.244 4.240 1.00 0.00 H new ATOM 0 HH TYR A 25 2.698 -13.935 5.545 1.00 0.00 H new ATOM 323 N CYS A 26 -5.149 -9.621 5.499 1.00 0.00 N ATOM 324 CA CYS A 26 -6.078 -8.625 4.982 1.00 0.00 C ATOM 325 C CYS A 26 -7.025 -8.214 6.097 1.00 0.00 C ATOM 326 O CYS A 26 -7.056 -7.064 6.538 1.00 0.00 O ATOM 327 CB CYS A 26 -6.886 -9.205 3.815 1.00 0.00 C ATOM 328 SG CYS A 26 -6.587 -8.515 2.184 1.00 0.00 S ATOM 0 H CYS A 26 -5.136 -10.487 4.960 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.518 -7.761 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.691 -10.276 3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.945 -9.083 4.044 1.00 0.00 H new ATOM 332 N ASN A 27 -7.806 -9.197 6.538 1.00 0.00 N ATOM 333 CA ASN A 27 -8.903 -8.971 7.459 1.00 0.00 C ATOM 334 C ASN A 27 -8.330 -8.648 8.837 1.00 0.00 C ATOM 335 O ASN A 27 -8.810 -7.733 9.506 1.00 0.00 O ATOM 336 CB ASN A 27 -9.850 -10.180 7.468 1.00 0.00 C ATOM 337 CG ASN A 27 -10.465 -10.437 6.084 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.533 -9.926 5.757 1.00 0.00 O ATOM 339 ND2 ASN A 27 -9.786 -11.207 5.237 1.00 0.00 N ATOM 0 H ASN A 27 -7.691 -10.172 6.263 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.503 -8.119 7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.304 -11.066 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.646 -10.012 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.151 -11.380 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.901 -11.624 5.524 1.00 0.00 H new ATOM 345 N LEU A 28 -7.277 -9.368 9.244 1.00 0.00 N ATOM 346 CA LEU A 28 -6.588 -9.136 10.504 1.00 0.00 C ATOM 347 C LEU A 28 -6.159 -7.676 10.604 1.00 0.00 C ATOM 348 O LEU A 28 -6.529 -6.974 11.538 1.00 0.00 O ATOM 349 CB LEU A 28 -5.351 -10.044 10.622 1.00 0.00 C ATOM 350 CG LEU A 28 -4.638 -9.950 11.981 1.00 0.00 C ATOM 351 CD1 LEU A 28 -5.494 -10.534 13.112 1.00 0.00 C ATOM 352 CD2 LEU A 28 -3.314 -10.718 11.900 1.00 0.00 C ATOM 0 H LEU A 28 -6.882 -10.133 8.698 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.275 -9.370 11.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.653 -11.077 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.645 -9.784 9.833 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.462 -8.898 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.956 -10.449 14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.433 -9.984 13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.702 -11.584 12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.799 -10.658 12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.513 -11.762 11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.686 -10.280 11.124 1.00 0.00 H new ATOM 363 N MET A 29 -5.352 -7.219 9.647 1.00 0.00 N ATOM 364 CA MET A 29 -4.754 -5.898 9.691 1.00 0.00 C ATOM 365 C MET A 29 -5.837 -4.832 9.576 1.00 0.00 C ATOM 366 O MET A 29 -5.806 -3.856 10.324 1.00 0.00 O ATOM 367 CB MET A 29 -3.698 -5.778 8.594 1.00 0.00 C ATOM 368 CG MET A 29 -2.766 -4.580 8.804 1.00 0.00 C ATOM 369 SD MET A 29 -1.621 -4.264 7.437 1.00 0.00 S ATOM 370 CE MET A 29 -0.840 -5.885 7.290 1.00 0.00 C ATOM 0 H MET A 29 -5.098 -7.760 8.821 1.00 0.00 H new ATOM 0 HA MET A 29 -4.253 -5.744 10.647 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.106 -6.693 8.562 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.192 -5.684 7.627 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.373 -3.689 8.965 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.188 -4.741 9.714 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.078 -5.852 6.511 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.377 -6.153 8.240 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.593 -6.629 7.030 1.00 0.00 H new ATOM 378 N MET A 30 -6.804 -5.015 8.669 1.00 0.00 N ATOM 379 CA MET A 30 -7.956 -4.126 8.588 1.00 0.00 C ATOM 380 C MET A 30 -8.609 -3.974 9.961 1.00 0.00 C ATOM 381 O MET A 30 -8.797 -2.852 10.430 1.00 0.00 O ATOM 382 CB MET A 30 -8.957 -4.646 7.548 1.00 0.00 C ATOM 383 CG MET A 30 -8.483 -4.296 6.137 1.00 0.00 C ATOM 384 SD MET A 30 -8.702 -2.549 5.718 1.00 0.00 S ATOM 385 CE MET A 30 -7.826 -2.490 4.145 1.00 0.00 C ATOM 0 H MET A 30 -6.807 -5.771 7.984 1.00 0.00 H new ATOM 0 HA MET A 30 -7.620 -3.140 8.267 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.065 -5.726 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.939 -4.209 7.728 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.429 -4.556 6.041 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.028 -4.906 5.417 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.369 -1.508 4.019 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.050 -3.255 4.132 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.528 -2.671 3.331 1.00 0.00 H new ATOM 393 N CYS A 31 -8.934 -5.098 10.606 1.00 0.00 N ATOM 394 CA CYS A 31 -9.568 -5.114 11.918 1.00 0.00 C ATOM 395 C CYS A 31 -8.699 -4.431 12.978 1.00 0.00 C ATOM 396 O CYS A 31 -9.136 -3.481 13.623 1.00 0.00 O ATOM 397 CB CYS A 31 -9.876 -6.557 12.325 1.00 0.00 C ATOM 398 SG CYS A 31 -10.665 -6.509 13.950 1.00 0.00 S ATOM 0 H CYS A 31 -8.761 -6.028 10.225 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.498 -4.550 11.851 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.533 -7.029 11.594 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.961 -7.148 12.361 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.946 -7.719 14.332 1.00 0.00 H new ATOM 403 N CYS A 32 -7.466 -4.908 13.155 1.00 0.00 N ATOM 404 CA CYS A 32 -6.550 -4.462 14.200 1.00 0.00 C ATOM 405 C CYS A 32 -6.196 -2.989 14.029 1.00 0.00 C ATOM 406 O CYS A 32 -6.172 -2.234 14.999 1.00 0.00 O ATOM 407 CB CYS A 32 -5.272 -5.312 14.192 1.00 0.00 C ATOM 408 SG CYS A 32 -5.599 -6.945 14.900 1.00 0.00 S ATOM 0 H CYS A 32 -7.069 -5.634 12.559 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.053 -4.585 15.159 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.904 -5.418 13.172 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.490 -4.811 14.763 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.508 -7.652 14.883 1.00 0.00 H new ATOM 413 N ARG A 33 -5.890 -2.568 12.799 1.00 0.00 N ATOM 414 CA ARG A 33 -5.636 -1.166 12.506 1.00 0.00 C ATOM 415 C ARG A 33 -6.933 -0.362 12.623 1.00 0.00 C ATOM 416 O ARG A 33 -6.905 0.813 12.985 1.00 0.00 O ATOM 417 CB ARG A 33 -4.988 -1.029 11.118 1.00 0.00 C ATOM 418 CG ARG A 33 -4.329 0.337 10.872 1.00 0.00 C ATOM 419 CD ARG A 33 -2.841 0.375 11.265 1.00 0.00 C ATOM 420 NE ARG A 33 -2.576 -0.068 12.646 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.881 0.609 13.765 1.00 0.00 C ATOM 422 NH1 ARG A 33 -3.467 1.807 13.680 1.00 0.00 N ATOM 423 NH2 ARG A 33 -2.617 0.074 14.962 1.00 0.00 N ATOM 0 H ARG A 33 -5.813 -3.186 11.991 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.935 -0.758 13.235 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.237 -1.810 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.748 -1.198 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.426 0.595 9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.866 1.099 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.278 -0.256 10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.469 1.392 11.142 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.119 -0.972 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.682 2.206 12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.699 2.322 14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.184 -0.848 15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.848 0.588 15.812 1.00 0.00 H new ATOM 434 N LYS A 34 -8.057 -1.010 12.312 1.00 0.00 N ATOM 435 CA LYS A 34 -9.411 -0.507 12.440 1.00 0.00 C ATOM 436 C LYS A 34 -9.656 0.670 11.499 1.00 0.00 C ATOM 437 O LYS A 34 -10.292 1.662 11.852 1.00 0.00 O ATOM 438 CB LYS A 34 -9.784 -0.255 13.911 1.00 0.00 C ATOM 439 CG LYS A 34 -11.170 -0.829 14.241 1.00 0.00 C ATOM 440 CD LYS A 34 -12.275 -0.267 13.330 1.00 0.00 C ATOM 441 CE LYS A 34 -13.644 -0.890 13.634 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.210 -0.402 14.905 1.00 0.00 N ATOM 0 H LYS A 34 -8.036 -1.960 11.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.107 -1.278 12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.036 -0.709 14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.774 0.816 14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.142 -1.914 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.413 -0.607 15.280 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.333 0.814 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.015 -0.454 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.333 -0.663 12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.546 -1.975 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.188 -0.742 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.639 -0.757 15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.203 0.638 14.911 1.00 0.00 H new ATOM 452 N MET A 35 -9.207 0.510 10.254 1.00 0.00 N ATOM 453 CA MET A 35 -9.538 1.436 9.181 1.00 0.00 C ATOM 454 C MET A 35 -11.023 1.318 8.816 1.00 0.00 C ATOM 455 O MET A 35 -11.631 2.270 8.329 1.00 0.00 O ATOM 456 CB MET A 35 -8.620 1.174 7.977 1.00 0.00 C ATOM 457 CG MET A 35 -7.171 1.548 8.326 1.00 0.00 C ATOM 458 SD MET A 35 -5.924 1.281 7.037 1.00 0.00 S ATOM 459 CE MET A 35 -5.739 -0.514 7.100 1.00 0.00 C ATOM 0 H MET A 35 -8.607 -0.263 9.966 1.00 0.00 H new ATOM 0 HA MET A 35 -9.372 2.461 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.674 0.124 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.957 1.756 7.119 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.150 2.601 8.606 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.876 0.978 9.207 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.681 -0.772 7.059 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.169 -0.892 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.256 -0.963 6.252 1.00 0.00 H new ATOM 467 N THR A 36 -11.618 0.153 9.077 1.00 0.00 N ATOM 468 CA THR A 36 -12.985 -0.221 8.773 1.00 0.00 C ATOM 469 C THR A 36 -13.977 0.442 9.738 1.00 0.00 C ATOM 470 O THR A 36 -14.751 -0.236 10.410 1.00 0.00 O ATOM 471 CB THR A 36 -13.016 -1.757 8.851 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.236 -2.174 9.963 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.381 -2.361 7.597 1.00 0.00 C ATOM 0 H THR A 36 -11.114 -0.603 9.540 1.00 0.00 H new ATOM 0 HA THR A 36 -13.292 0.122 7.785 1.00 0.00 H new ATOM 0 HB THR A 36 -14.052 -2.084 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.250 -3.152 10.024 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.408 -3.449 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.935 -2.037 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.346 -2.028 7.517 1.00 0.00 H new ATOM 481 N GLN A 37 -13.956 1.776 9.806 1.00 0.00 N ATOM 482 CA GLN A 37 -14.946 2.566 10.529 1.00 0.00 C ATOM 483 C GLN A 37 -16.152 2.838 9.619 1.00 0.00 C ATOM 484 O GLN A 37 -16.939 1.935 9.363 1.00 0.00 O ATOM 485 CB GLN A 37 -14.295 3.842 11.093 1.00 0.00 C ATOM 486 CG GLN A 37 -13.466 3.559 12.354 1.00 0.00 C ATOM 487 CD GLN A 37 -14.345 3.255 13.569 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.324 2.151 14.110 1.00 0.00 O ATOM 489 NE2 GLN A 37 -15.136 4.225 14.014 1.00 0.00 N ATOM 0 H GLN A 37 -13.239 2.342 9.352 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.323 2.013 11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.655 4.289 10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.071 4.572 11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.802 2.715 12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.834 4.420 12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.138 5.134 13.551 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.741 4.061 14.819 1.00 0.00 H new ATOM 496 N GLY A 38 -16.317 4.076 9.136 1.00 0.00 N ATOM 497 CA GLY A 38 -17.533 4.507 8.449 1.00 0.00 C ATOM 498 C GLY A 38 -17.753 3.813 7.103 1.00 0.00 C ATOM 499 O GLY A 38 -18.875 3.760 6.605 1.00 0.00 O ATOM 0 H GLY A 38 -15.608 4.805 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.392 4.315 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.488 5.584 8.290 1.00 0.00 H new ATOM 502 N LYS A 39 -16.676 3.320 6.491 1.00 0.00 N ATOM 503 CA LYS A 39 -16.705 2.499 5.299 1.00 0.00 C ATOM 504 C LYS A 39 -15.470 1.610 5.351 1.00 0.00 C ATOM 505 O LYS A 39 -14.517 1.934 6.061 1.00 0.00 O ATOM 506 CB LYS A 39 -16.766 3.337 4.007 1.00 0.00 C ATOM 507 CG LYS A 39 -15.682 4.414 3.833 1.00 0.00 C ATOM 508 CD LYS A 39 -16.010 5.720 4.581 1.00 0.00 C ATOM 509 CE LYS A 39 -15.088 6.885 4.184 1.00 0.00 C ATOM 510 NZ LYS A 39 -15.326 7.359 2.804 1.00 0.00 N ATOM 0 H LYS A 39 -15.730 3.492 6.831 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.612 1.895 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.710 2.657 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.740 3.824 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.729 4.025 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.558 4.630 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.045 5.998 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.928 5.548 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.236 7.712 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.049 6.570 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.791 8.236 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.014 6.632 2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.341 7.543 2.670 1.00 0.00 H new ATOM 520 N CYS A 40 -15.491 0.506 4.608 1.00 0.00 N ATOM 521 CA CYS A 40 -14.331 -0.347 4.405 1.00 0.00 C ATOM 522 C CYS A 40 -13.633 0.073 3.110 1.00 0.00 C ATOM 523 O CYS A 40 -14.147 0.916 2.373 1.00 0.00 O ATOM 524 CB CYS A 40 -14.776 -1.810 4.401 1.00 0.00 C ATOM 525 SG CYS A 40 -15.346 -2.443 2.814 1.00 0.00 S ATOM 0 H CYS A 40 -16.327 0.178 4.125 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.609 -0.238 5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.943 -2.426 4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.578 -1.930 5.129 1.00 0.00 H new ATOM 529 N LYS A 41 -12.440 -0.463 2.856 1.00 0.00 N ATOM 530 CA LYS A 41 -11.588 -0.059 1.747 1.00 0.00 C ATOM 531 C LYS A 41 -11.695 -1.117 0.642 1.00 0.00 C ATOM 532 O LYS A 41 -11.533 -2.295 0.929 1.00 0.00 O ATOM 533 CB LYS A 41 -10.153 0.118 2.285 1.00 0.00 C ATOM 534 CG LYS A 41 -9.555 1.503 1.982 1.00 0.00 C ATOM 535 CD LYS A 41 -8.758 1.443 0.679 1.00 0.00 C ATOM 536 CE LYS A 41 -8.359 2.824 0.141 1.00 0.00 C ATOM 537 NZ LYS A 41 -7.312 2.705 -0.896 1.00 0.00 N ATOM 0 H LYS A 41 -12.034 -1.204 3.428 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.895 0.892 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.155 -0.041 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.512 -0.649 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.350 2.244 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.909 1.819 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.857 0.851 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.349 0.925 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.234 3.323 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.997 3.446 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.502 3.306 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.001 1.715 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.696 3.010 -1.813 1.00 0.00 H new ATOM 547 N PRO A 42 -11.965 -0.749 -0.618 1.00 0.00 N ATOM 548 CA PRO A 42 -12.040 -1.723 -1.699 1.00 0.00 C ATOM 549 C PRO A 42 -10.655 -2.279 -2.048 1.00 0.00 C ATOM 550 O PRO A 42 -10.525 -3.464 -2.352 1.00 0.00 O ATOM 551 CB PRO A 42 -12.692 -0.970 -2.861 1.00 0.00 C ATOM 552 CG PRO A 42 -12.342 0.497 -2.608 1.00 0.00 C ATOM 553 CD PRO A 42 -12.310 0.586 -1.083 1.00 0.00 C ATOM 0 HA PRO A 42 -12.624 -2.603 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.306 -1.311 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.771 -1.124 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.381 0.764 -3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.086 1.169 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.576 1.319 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.276 0.900 -0.689 1.00 0.00 H new ATOM 558 N VAL A 43 -9.621 -1.428 -2.010 1.00 0.00 N ATOM 559 CA VAL A 43 -8.251 -1.792 -2.371 1.00 0.00 C ATOM 560 C VAL A 43 -7.247 -1.081 -1.457 1.00 0.00 C ATOM 561 O VAL A 43 -7.208 0.151 -1.445 1.00 0.00 O ATOM 562 CB VAL A 43 -7.964 -1.474 -3.855 1.00 0.00 C ATOM 563 CG1 VAL A 43 -8.511 -2.572 -4.772 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.509 -0.120 -4.330 1.00 0.00 C ATOM 0 H VAL A 43 -9.718 -0.454 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.139 -2.867 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.877 -1.425 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.294 -2.321 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.040 -3.523 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.589 -2.655 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.263 0.022 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.592 -0.099 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.060 0.680 -3.741 1.00 0.00 H new ATOM 574 N ASN A 44 -6.438 -1.831 -0.699 1.00 0.00 N ATOM 575 CA ASN A 44 -5.293 -1.326 0.055 1.00 0.00 C ATOM 576 C ASN A 44 -4.099 -2.245 -0.194 1.00 0.00 C ATOM 577 O ASN A 44 -4.075 -3.379 0.272 1.00 0.00 O ATOM 578 CB ASN A 44 -5.583 -1.268 1.562 1.00 0.00 C ATOM 579 CG ASN A 44 -4.410 -0.657 2.343 1.00 0.00 C ATOM 580 OD1 ASN A 44 -3.438 -0.188 1.760 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.495 -0.633 3.669 1.00 0.00 N ATOM 0 H ASN A 44 -6.570 -2.837 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.080 -0.311 -0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.483 -0.679 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.783 -2.273 1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.744 -0.219 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.312 -1.028 4.135 1.00 0.00 H new ATOM 587 N THR A 45 -3.094 -1.769 -0.917 1.00 0.00 N ATOM 588 CA THR A 45 -1.947 -2.591 -1.230 1.00 0.00 C ATOM 589 C THR A 45 -0.992 -2.642 -0.032 1.00 0.00 C ATOM 590 O THR A 45 -0.350 -1.637 0.274 1.00 0.00 O ATOM 591 CB THR A 45 -1.304 -2.025 -2.494 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.296 -1.851 -3.486 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.216 -2.952 -3.022 1.00 0.00 C ATOM 0 H THR A 45 -3.055 -0.822 -1.293 1.00 0.00 H new ATOM 0 HA THR A 45 -2.233 -3.625 -1.424 1.00 0.00 H new ATOM 0 HB THR A 45 -0.846 -1.067 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.521 -2.720 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.223 -2.522 -3.922 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.557 -3.074 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.649 -3.924 -3.258 1.00 0.00 H new ATOM 601 N PHE A 46 -0.879 -3.791 0.652 1.00 0.00 N ATOM 602 CA PHE A 46 0.029 -3.898 1.789 1.00 0.00 C ATOM 603 C PHE A 46 1.425 -4.219 1.260 1.00 0.00 C ATOM 604 O PHE A 46 1.564 -4.890 0.239 1.00 0.00 O ATOM 605 CB PHE A 46 -0.369 -5.001 2.777 1.00 0.00 C ATOM 606 CG PHE A 46 -1.755 -5.020 3.389 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.678 -3.976 3.208 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.098 -6.113 4.204 1.00 0.00 C ATOM 609 CE1 PHE A 46 -3.933 -4.032 3.838 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.336 -6.147 4.860 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.263 -5.112 4.671 1.00 0.00 C ATOM 0 H PHE A 46 -1.398 -4.642 0.438 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.007 -2.948 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.228 -5.955 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.346 -4.970 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.423 -3.131 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.403 -6.931 4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.648 -3.238 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.577 -6.973 5.513 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.224 -5.146 5.163 1.00 0.00 H new ATOM 620 N VAL A 47 2.460 -3.737 1.946 1.00 0.00 N ATOM 621 CA VAL A 47 3.836 -3.764 1.464 1.00 0.00 C ATOM 622 C VAL A 47 4.715 -4.502 2.482 1.00 0.00 C ATOM 623 O VAL A 47 4.877 -4.009 3.598 1.00 0.00 O ATOM 624 CB VAL A 47 4.244 -2.290 1.276 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.752 -2.074 1.171 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.556 -1.744 0.016 1.00 0.00 C ATOM 0 H VAL A 47 2.362 -3.310 2.867 1.00 0.00 H new ATOM 0 HA VAL A 47 3.951 -4.298 0.521 1.00 0.00 H new ATOM 0 HB VAL A 47 3.924 -1.754 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.959 -1.012 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.235 -2.428 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.140 -2.627 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.837 -0.701 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.868 -2.327 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.475 -1.816 0.132 1.00 0.00 H new ATOM 636 N HIS A 48 5.269 -5.673 2.111 1.00 0.00 N ATOM 637 CA HIS A 48 6.119 -6.491 2.980 1.00 0.00 C ATOM 638 C HIS A 48 7.602 -6.198 2.759 1.00 0.00 C ATOM 639 O HIS A 48 8.311 -6.973 2.121 1.00 0.00 O ATOM 640 CB HIS A 48 5.745 -7.987 2.909 1.00 0.00 C ATOM 641 CG HIS A 48 4.566 -8.361 3.788 1.00 0.00 C ATOM 642 ND1 HIS A 48 4.458 -9.504 4.571 1.00 0.00 N ATOM 643 CD2 HIS A 48 3.551 -7.517 4.155 1.00 0.00 C ATOM 644 CE1 HIS A 48 3.401 -9.341 5.389 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.857 -8.135 5.171 1.00 0.00 N ATOM 0 H HIS A 48 5.133 -6.078 1.185 1.00 0.00 H new ATOM 0 HA HIS A 48 5.924 -6.202 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.514 -8.246 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.609 -8.583 3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.336 -6.549 3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.047 -10.066 6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.062 -7.741 5.674 1.00 0.00 H new ATOM 653 N GLU A 49 8.048 -5.077 3.336 1.00 0.00 N ATOM 654 CA GLU A 49 9.444 -4.684 3.498 1.00 0.00 C ATOM 655 C GLU A 49 9.564 -4.065 4.892 1.00 0.00 C ATOM 656 O GLU A 49 8.618 -4.140 5.677 1.00 0.00 O ATOM 657 CB GLU A 49 9.862 -3.691 2.396 1.00 0.00 C ATOM 658 CG GLU A 49 11.110 -4.175 1.645 1.00 0.00 C ATOM 659 CD GLU A 49 11.499 -3.248 0.496 1.00 0.00 C ATOM 660 OE1 GLU A 49 11.060 -2.077 0.528 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.228 -3.728 -0.403 1.00 0.00 O ATOM 0 H GLU A 49 7.406 -4.385 3.722 1.00 0.00 H new ATOM 0 HA GLU A 49 10.111 -5.541 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.040 -3.561 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.059 -2.715 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.943 -4.251 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.929 -5.176 1.254 1.00 0.00 H new ATOM 666 N SER A 50 10.677 -3.390 5.182 1.00 0.00 N ATOM 667 CA SER A 50 10.881 -2.674 6.435 1.00 0.00 C ATOM 668 C SER A 50 10.704 -1.161 6.259 1.00 0.00 C ATOM 669 O SER A 50 11.027 -0.603 5.211 1.00 0.00 O ATOM 670 CB SER A 50 12.285 -2.988 6.933 1.00 0.00 C ATOM 671 OG SER A 50 12.399 -4.367 7.212 1.00 0.00 O ATOM 0 H SER A 50 11.470 -3.326 4.543 1.00 0.00 H new ATOM 0 HA SER A 50 10.134 -2.998 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.020 -2.698 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.500 -2.408 7.830 1.00 0.00 H new ATOM 0 HG SER A 50 13.305 -4.563 7.530 1.00 0.00 H new ATOM 676 N LEU A 51 10.219 -0.501 7.317 1.00 0.00 N ATOM 677 CA LEU A 51 9.981 0.937 7.401 1.00 0.00 C ATOM 678 C LEU A 51 11.135 1.742 6.796 1.00 0.00 C ATOM 679 O LEU A 51 10.933 2.569 5.912 1.00 0.00 O ATOM 680 CB LEU A 51 9.748 1.293 8.878 1.00 0.00 C ATOM 681 CG LEU A 51 9.393 2.773 9.115 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.981 2.892 9.700 1.00 0.00 C ATOM 683 CD2 LEU A 51 10.394 3.422 10.078 1.00 0.00 C ATOM 0 H LEU A 51 9.970 -0.984 8.180 1.00 0.00 H new ATOM 0 HA LEU A 51 9.100 1.199 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.944 0.670 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.646 1.049 9.446 1.00 0.00 H new ATOM 0 HG LEU A 51 9.435 3.289 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.742 3.943 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.261 2.460 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.934 2.358 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.125 4.467 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.373 2.897 11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.397 3.364 9.654 1.00 0.00 H new ATOM 694 N ALA A 52 12.359 1.483 7.260 1.00 0.00 N ATOM 695 CA ALA A 52 13.536 2.192 6.783 1.00 0.00 C ATOM 696 C ALA A 52 13.735 2.042 5.270 1.00 0.00 C ATOM 697 O ALA A 52 14.219 2.974 4.627 1.00 0.00 O ATOM 698 CB ALA A 52 14.771 1.709 7.548 1.00 0.00 C ATOM 0 H ALA A 52 12.556 0.780 7.972 1.00 0.00 H new ATOM 0 HA ALA A 52 13.386 3.255 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.652 2.241 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.638 1.902 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.903 0.639 7.387 1.00 0.00 H new ATOM 704 N ASP A 53 13.368 0.890 4.696 1.00 0.00 N ATOM 705 CA ASP A 53 13.546 0.668 3.267 1.00 0.00 C ATOM 706 C ASP A 53 12.545 1.552 2.524 1.00 0.00 C ATOM 707 O ASP A 53 12.932 2.394 1.721 1.00 0.00 O ATOM 708 CB ASP A 53 13.422 -0.822 2.906 1.00 0.00 C ATOM 709 CG ASP A 53 14.015 -1.118 1.528 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.173 -0.159 0.745 1.00 0.00 O ATOM 711 OD2 ASP A 53 14.371 -2.295 1.284 1.00 0.00 O ATOM 0 H ASP A 53 12.950 0.107 5.199 1.00 0.00 H new ATOM 0 HA ASP A 53 14.554 0.948 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.932 -1.423 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.372 -1.115 2.922 1.00 0.00 H new ATOM 715 N VAL A 54 11.262 1.463 2.892 1.00 0.00 N ATOM 716 CA VAL A 54 10.229 2.389 2.422 1.00 0.00 C ATOM 717 C VAL A 54 10.697 3.851 2.520 1.00 0.00 C ATOM 718 O VAL A 54 10.575 4.619 1.559 1.00 0.00 O ATOM 719 CB VAL A 54 8.909 2.107 3.168 1.00 0.00 C ATOM 720 CG1 VAL A 54 7.965 3.312 3.242 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.175 0.962 2.464 1.00 0.00 C ATOM 0 H VAL A 54 10.911 0.745 3.526 1.00 0.00 H new ATOM 0 HA VAL A 54 10.041 2.224 1.361 1.00 0.00 H new ATOM 0 HB VAL A 54 9.183 1.854 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.060 3.033 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.460 4.131 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.702 3.631 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.240 0.755 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.962 1.246 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.800 0.069 2.473 1.00 0.00 H new ATOM 731 N LYS A 55 11.251 4.238 3.670 1.00 0.00 N ATOM 732 CA LYS A 55 11.780 5.577 3.865 1.00 0.00 C ATOM 733 C LYS A 55 12.854 5.896 2.820 1.00 0.00 C ATOM 734 O LYS A 55 12.799 6.945 2.178 1.00 0.00 O ATOM 735 CB LYS A 55 12.273 5.757 5.304 1.00 0.00 C ATOM 736 CG LYS A 55 12.667 7.216 5.586 1.00 0.00 C ATOM 737 CD LYS A 55 14.193 7.385 5.564 1.00 0.00 C ATOM 738 CE LYS A 55 14.582 8.843 5.844 1.00 0.00 C ATOM 739 NZ LYS A 55 16.045 9.040 5.815 1.00 0.00 N ATOM 0 H LYS A 55 11.343 3.631 4.485 1.00 0.00 H new ATOM 0 HA LYS A 55 10.979 6.301 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.491 5.449 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.130 5.107 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.214 7.870 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.277 7.521 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.647 6.733 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.584 7.079 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.114 9.492 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.195 9.141 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.265 10.038 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.490 8.440 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.412 8.781 4.877 1.00 0.00 H new ATOM 749 N ALA A 56 13.836 5.006 2.658 1.00 0.00 N ATOM 750 CA ALA A 56 14.881 5.168 1.657 1.00 0.00 C ATOM 751 C ALA A 56 14.270 5.335 0.264 1.00 0.00 C ATOM 752 O ALA A 56 14.559 6.320 -0.411 1.00 0.00 O ATOM 753 CB ALA A 56 15.863 3.993 1.712 1.00 0.00 C ATOM 0 H ALA A 56 13.925 4.158 3.217 1.00 0.00 H new ATOM 0 HA ALA A 56 15.443 6.076 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.637 4.130 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.322 3.949 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.329 3.063 1.518 1.00 0.00 H new ATOM 759 N VAL A 57 13.411 4.397 -0.151 1.00 0.00 N ATOM 760 CA VAL A 57 12.698 4.397 -1.421 1.00 0.00 C ATOM 761 C VAL A 57 12.082 5.766 -1.719 1.00 0.00 C ATOM 762 O VAL A 57 12.290 6.303 -2.807 1.00 0.00 O ATOM 763 CB VAL A 57 11.660 3.261 -1.458 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.704 3.435 -2.646 1.00 0.00 C ATOM 765 CG2 VAL A 57 12.366 1.901 -1.564 1.00 0.00 C ATOM 0 H VAL A 57 13.188 3.582 0.420 1.00 0.00 H new ATOM 0 HA VAL A 57 13.415 4.206 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 57 11.083 3.299 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.979 2.621 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.180 4.387 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.273 3.421 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.621 1.105 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.961 1.870 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.017 1.761 -0.701 1.00 0.00 H new ATOM 775 N CYS A 58 11.338 6.352 -0.772 1.00 0.00 N ATOM 776 CA CYS A 58 10.768 7.683 -1.001 1.00 0.00 C ATOM 777 C CYS A 58 11.834 8.687 -1.417 1.00 0.00 C ATOM 778 O CYS A 58 11.579 9.534 -2.261 1.00 0.00 O ATOM 779 CB CYS A 58 9.954 8.198 0.190 1.00 0.00 C ATOM 780 SG CYS A 58 10.467 9.722 1.042 1.00 0.00 S ATOM 0 H CYS A 58 11.122 5.939 0.135 1.00 0.00 H new ATOM 0 HA CYS A 58 10.068 7.573 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.931 8.347 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.927 7.402 0.934 1.00 0.00 H new ATOM 784 N SER A 59 13.039 8.576 -0.867 1.00 0.00 N ATOM 785 CA SER A 59 14.122 9.489 -1.168 1.00 0.00 C ATOM 786 C SER A 59 15.026 8.946 -2.283 1.00 0.00 C ATOM 787 O SER A 59 16.186 9.354 -2.341 1.00 0.00 O ATOM 788 CB SER A 59 14.911 9.712 0.129 1.00 0.00 C ATOM 789 OG SER A 59 15.664 10.905 0.030 1.00 0.00 O ATOM 0 H SER A 59 13.287 7.846 -0.199 1.00 0.00 H new ATOM 0 HA SER A 59 13.722 10.434 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.228 9.771 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.574 8.866 0.313 1.00 0.00 H new ATOM 0 HG SER A 59 15.094 11.671 0.251 1.00 0.00 H new ATOM 794 N GLN A 60 14.534 8.032 -3.134 1.00 0.00 N ATOM 795 CA GLN A 60 15.368 7.276 -4.068 1.00 0.00 C ATOM 796 C GLN A 60 15.219 7.789 -5.510 1.00 0.00 C ATOM 797 O GLN A 60 15.956 8.680 -5.918 1.00 0.00 O ATOM 798 CB GLN A 60 15.081 5.780 -3.881 1.00 0.00 C ATOM 799 CG GLN A 60 16.198 4.865 -4.386 1.00 0.00 C ATOM 800 CD GLN A 60 17.389 4.821 -3.432 1.00 0.00 C ATOM 801 OE1 GLN A 60 18.484 5.249 -3.779 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.192 4.292 -2.226 1.00 0.00 N ATOM 0 H GLN A 60 13.542 7.799 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 60 16.425 7.430 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.914 5.582 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.157 5.530 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.806 3.857 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.532 5.210 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.269 3.944 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.964 4.235 -1.562 1.00 0.00 H new ATOM 809 N LYS A 61 14.293 7.226 -6.299 1.00 0.00 N ATOM 810 CA LYS A 61 14.077 7.577 -7.698 1.00 0.00 C ATOM 811 C LYS A 61 12.618 7.985 -7.929 1.00 0.00 C ATOM 812 O LYS A 61 11.734 7.129 -7.938 1.00 0.00 O ATOM 813 CB LYS A 61 14.444 6.373 -8.573 1.00 0.00 C ATOM 814 CG LYS A 61 15.965 6.171 -8.636 1.00 0.00 C ATOM 815 CD LYS A 61 16.348 4.814 -9.242 1.00 0.00 C ATOM 816 CE LYS A 61 15.686 4.512 -10.595 1.00 0.00 C ATOM 817 NZ LYS A 61 15.915 5.578 -11.592 1.00 0.00 N ATOM 0 H LYS A 61 13.661 6.497 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 61 14.707 8.426 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.972 5.475 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.053 6.520 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.411 6.970 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.381 6.248 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.430 4.778 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.081 4.027 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.073 3.569 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.614 4.381 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.506 5.293 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.464 6.458 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.937 5.734 -11.705 1.00 0.00 H new ATOM 827 N LYS A 62 12.376 9.284 -8.147 1.00 0.00 N ATOM 828 CA LYS A 62 11.071 9.797 -8.546 1.00 0.00 C ATOM 829 C LYS A 62 10.663 9.148 -9.865 1.00 0.00 C ATOM 830 O LYS A 62 11.488 9.018 -10.769 1.00 0.00 O ATOM 831 CB LYS A 62 11.123 11.330 -8.681 1.00 0.00 C ATOM 832 CG LYS A 62 9.754 11.984 -8.962 1.00 0.00 C ATOM 833 CD LYS A 62 9.461 12.194 -10.462 1.00 0.00 C ATOM 834 CE LYS A 62 8.074 12.833 -10.658 1.00 0.00 C ATOM 835 NZ LYS A 62 7.694 12.979 -12.085 1.00 0.00 N ATOM 0 H LYS A 62 13.088 10.008 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 62 10.330 9.552 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.533 11.751 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.810 11.590 -9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.969 11.362 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.711 12.948 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.227 12.832 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.504 11.238 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.326 12.225 -10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.063 13.814 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.933 13.682 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.520 13.293 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.363 12.064 -12.452 1.00 0.00 H new ATOM 845 N VAL A 63 9.387 8.783 -9.989 1.00 0.00 N ATOM 846 CA VAL A 63 8.781 8.402 -11.253 1.00 0.00 C ATOM 847 C VAL A 63 7.525 9.247 -11.417 1.00 0.00 C ATOM 848 O VAL A 63 7.012 9.806 -10.452 1.00 0.00 O ATOM 849 CB VAL A 63 8.491 6.894 -11.313 1.00 0.00 C ATOM 850 CG1 VAL A 63 9.805 6.105 -11.332 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.594 6.411 -10.165 1.00 0.00 C ATOM 0 H VAL A 63 8.741 8.745 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 63 9.464 8.590 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 63 7.941 6.713 -12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.588 5.038 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.389 6.392 -12.207 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.374 6.324 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.425 5.339 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.081 6.617 -9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.638 6.934 -10.205 1.00 0.00 H new ATOM 861 N THR A 64 7.051 9.405 -12.648 1.00 0.00 N ATOM 862 CA THR A 64 5.746 9.994 -12.881 1.00 0.00 C ATOM 863 C THR A 64 4.728 8.867 -12.724 1.00 0.00 C ATOM 864 O THR A 64 4.933 7.774 -13.248 1.00 0.00 O ATOM 865 CB THR A 64 5.747 10.679 -14.248 1.00 0.00 C ATOM 866 OG1 THR A 64 6.791 11.643 -14.228 1.00 0.00 O ATOM 867 CG2 THR A 64 4.418 11.385 -14.533 1.00 0.00 C ATOM 0 H THR A 64 7.552 9.133 -13.494 1.00 0.00 H new ATOM 0 HA THR A 64 5.483 10.778 -12.171 1.00 0.00 H new ATOM 0 HB THR A 64 5.892 9.932 -15.028 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.826 12.105 -15.091 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.461 11.859 -15.514 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.608 10.656 -14.517 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.238 12.144 -13.771 1.00 0.00 H new ATOM 875 N CYS A 65 3.695 9.117 -11.922 1.00 0.00 N ATOM 876 CA CYS A 65 2.749 8.101 -11.479 1.00 0.00 C ATOM 877 C CYS A 65 1.845 7.690 -12.638 1.00 0.00 C ATOM 878 O CYS A 65 1.946 8.257 -13.728 1.00 0.00 O ATOM 879 CB CYS A 65 1.931 8.633 -10.294 1.00 0.00 C ATOM 880 SG CYS A 65 2.877 9.582 -9.071 1.00 0.00 S ATOM 0 H CYS A 65 3.491 10.047 -11.557 1.00 0.00 H new ATOM 0 HA CYS A 65 3.292 7.217 -11.146 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.130 9.263 -10.679 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.459 7.789 -9.790 1.00 0.00 H new ATOM 884 N LYS A 66 0.931 6.738 -12.420 1.00 0.00 N ATOM 885 CA LYS A 66 0.019 6.277 -13.466 1.00 0.00 C ATOM 886 C LYS A 66 -1.154 7.250 -13.638 1.00 0.00 C ATOM 887 O LYS A 66 -2.317 6.876 -13.507 1.00 0.00 O ATOM 888 CB LYS A 66 -0.413 4.830 -13.186 1.00 0.00 C ATOM 889 CG LYS A 66 -0.956 4.159 -14.455 1.00 0.00 C ATOM 890 CD LYS A 66 -1.475 2.753 -14.135 1.00 0.00 C ATOM 891 CE LYS A 66 -1.884 2.036 -15.431 1.00 0.00 C ATOM 892 NZ LYS A 66 -2.468 0.705 -15.170 1.00 0.00 N ATOM 0 H LYS A 66 0.805 6.271 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 66 0.535 6.268 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.435 4.261 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.178 4.820 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.759 4.763 -14.878 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.170 4.101 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.704 2.180 -13.621 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.328 2.816 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.606 2.648 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.012 1.928 -16.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.729 0.258 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.771 0.111 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.316 0.808 -14.576 1.00 0.00 H new ATOM 902 N ASP A 67 -0.790 8.495 -13.945 1.00 0.00 N ATOM 903 CA ASP A 67 -1.576 9.713 -14.013 1.00 0.00 C ATOM 904 C ASP A 67 -0.506 10.813 -14.057 1.00 0.00 C ATOM 905 O ASP A 67 0.024 11.110 -15.128 1.00 0.00 O ATOM 906 CB ASP A 67 -2.548 9.799 -12.829 1.00 0.00 C ATOM 907 CG ASP A 67 -3.009 11.214 -12.544 1.00 0.00 C ATOM 908 OD1 ASP A 67 -3.936 11.684 -13.234 1.00 0.00 O ATOM 909 OD2 ASP A 67 -2.367 11.802 -11.647 1.00 0.00 O ATOM 0 H ASP A 67 0.183 8.689 -14.179 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.237 9.786 -14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.417 9.174 -13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.066 9.394 -11.940 1.00 0.00 H new ATOM 913 N GLY A 68 -0.083 11.299 -12.889 1.00 0.00 N ATOM 914 CA GLY A 68 1.063 12.181 -12.717 1.00 0.00 C ATOM 915 C GLY A 68 0.883 13.162 -11.555 1.00 0.00 C ATOM 916 O GLY A 68 1.277 14.321 -11.674 1.00 0.00 O ATOM 0 H GLY A 68 -0.548 11.079 -12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.956 11.580 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.227 12.741 -13.638 1.00 0.00 H new ATOM 919 N GLN A 69 0.325 12.707 -10.428 1.00 0.00 N ATOM 920 CA GLN A 69 0.038 13.550 -9.271 1.00 0.00 C ATOM 921 C GLN A 69 1.121 13.398 -8.195 1.00 0.00 C ATOM 922 O GLN A 69 1.806 12.380 -8.121 1.00 0.00 O ATOM 923 CB GLN A 69 -1.346 13.175 -8.712 1.00 0.00 C ATOM 924 CG GLN A 69 -2.017 14.320 -7.943 1.00 0.00 C ATOM 925 CD GLN A 69 -3.331 13.876 -7.306 1.00 0.00 C ATOM 926 OE1 GLN A 69 -3.385 12.853 -6.632 1.00 0.00 O ATOM 927 NE2 GLN A 69 -4.397 14.651 -7.483 1.00 0.00 N ATOM 0 H GLN A 69 0.058 11.731 -10.296 1.00 0.00 H new ATOM 0 HA GLN A 69 0.034 14.595 -9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.993 12.870 -9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.243 12.314 -8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.342 14.684 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.204 15.153 -8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.324 15.497 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.287 14.400 -7.053 1.00 0.00 H new ATOM 934 N THR A 70 1.228 14.389 -7.307 1.00 0.00 N ATOM 935 CA THR A 70 2.053 14.367 -6.103 1.00 0.00 C ATOM 936 C THR A 70 3.550 14.287 -6.438 1.00 0.00 C ATOM 937 O THR A 70 4.077 15.143 -7.150 1.00 0.00 O ATOM 938 CB THR A 70 1.561 13.305 -5.087 1.00 0.00 C ATOM 939 OG1 THR A 70 1.924 11.984 -5.441 1.00 0.00 O ATOM 940 CG2 THR A 70 0.044 13.349 -4.884 1.00 0.00 C ATOM 0 H THR A 70 0.718 15.266 -7.415 1.00 0.00 H new ATOM 0 HA THR A 70 1.932 15.322 -5.591 1.00 0.00 H new ATOM 0 HB THR A 70 2.063 13.569 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.834 11.869 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.249 12.586 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.245 14.331 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.456 13.162 -5.834 1.00 0.00 H new ATOM 948 N ASN A 71 4.246 13.278 -5.909 1.00 0.00 N ATOM 949 CA ASN A 71 5.654 13.012 -6.158 1.00 0.00 C ATOM 950 C ASN A 71 5.946 11.600 -5.665 1.00 0.00 C ATOM 951 O ASN A 71 6.365 11.382 -4.526 1.00 0.00 O ATOM 952 CB ASN A 71 6.560 14.084 -5.524 1.00 0.00 C ATOM 953 CG ASN A 71 7.445 14.728 -6.585 1.00 0.00 C ATOM 954 OD1 ASN A 71 8.652 14.519 -6.621 1.00 0.00 O ATOM 955 ND2 ASN A 71 6.838 15.499 -7.483 1.00 0.00 N ATOM 0 H ASN A 71 3.823 12.602 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 71 5.875 13.068 -7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.949 14.846 -5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.180 13.633 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.379 15.936 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.831 15.653 -7.426 1.00 0.00 H new ATOM 961 N CYS A 72 5.636 10.632 -6.527 1.00 0.00 N ATOM 962 CA CYS A 72 5.765 9.218 -6.232 1.00 0.00 C ATOM 963 C CYS A 72 7.129 8.708 -6.707 1.00 0.00 C ATOM 964 O CYS A 72 7.657 9.146 -7.729 1.00 0.00 O ATOM 965 CB CYS A 72 4.574 8.447 -6.808 1.00 0.00 C ATOM 966 SG CYS A 72 4.521 8.386 -8.609 1.00 0.00 S ATOM 0 H CYS A 72 5.282 10.819 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 72 5.736 9.050 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.598 7.427 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.653 8.903 -6.446 1.00 0.00 H new ATOM 970 N TYR A 73 7.742 7.837 -5.907 1.00 0.00 N ATOM 971 CA TYR A 73 9.096 7.335 -6.073 1.00 0.00 C ATOM 972 C TYR A 73 9.050 5.817 -6.144 1.00 0.00 C ATOM 973 O TYR A 73 8.386 5.189 -5.318 1.00 0.00 O ATOM 974 CB TYR A 73 9.963 7.773 -4.889 1.00 0.00 C ATOM 975 CG TYR A 73 10.559 9.164 -4.999 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.749 10.302 -4.866 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.953 9.316 -5.057 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.324 11.584 -4.864 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.537 10.592 -5.063 1.00 0.00 C ATOM 980 CZ TYR A 73 11.719 11.728 -4.936 1.00 0.00 C ATOM 981 OH TYR A 73 12.277 12.971 -4.912 1.00 0.00 O ATOM 0 H TYR A 73 7.281 7.446 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 73 9.528 7.736 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.361 7.725 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.776 7.056 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.679 10.192 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.584 8.440 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.693 12.459 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.607 10.700 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 73 13.252 12.893 -4.969 1.00 0.00 H new ATOM 990 N GLN A 74 9.753 5.249 -7.128 1.00 0.00 N ATOM 991 CA GLN A 74 9.786 3.821 -7.397 1.00 0.00 C ATOM 992 C GLN A 74 10.896 3.165 -6.584 1.00 0.00 C ATOM 993 O GLN A 74 12.011 3.680 -6.507 1.00 0.00 O ATOM 994 CB GLN A 74 9.995 3.584 -8.901 1.00 0.00 C ATOM 995 CG GLN A 74 10.103 2.096 -9.269 1.00 0.00 C ATOM 996 CD GLN A 74 10.182 1.882 -10.777 1.00 0.00 C ATOM 997 OE1 GLN A 74 11.082 2.403 -11.429 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.266 1.106 -11.356 1.00 0.00 N ATOM 0 H GLN A 74 10.328 5.790 -7.773 1.00 0.00 H new ATOM 0 HA GLN A 74 8.837 3.372 -7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.166 4.029 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.902 4.098 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.987 1.669 -8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.240 1.561 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.527 0.683 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.304 0.935 -12.361 1.00 0.00 H new ATOM 1005 N SER A 75 10.590 2.002 -6.008 1.00 0.00 N ATOM 1006 CA SER A 75 11.582 1.204 -5.310 1.00 0.00 C ATOM 1007 C SER A 75 12.785 0.837 -6.178 1.00 0.00 C ATOM 1008 O SER A 75 12.661 0.482 -7.350 1.00 0.00 O ATOM 1009 CB SER A 75 10.959 -0.073 -4.751 1.00 0.00 C ATOM 1010 OG SER A 75 11.951 -0.891 -4.154 1.00 0.00 O ATOM 0 H SER A 75 9.655 1.595 -6.015 1.00 0.00 H new ATOM 0 HA SER A 75 11.944 1.832 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.197 0.180 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.460 -0.621 -5.550 1.00 0.00 H new ATOM 0 HG SER A 75 11.805 -1.824 -4.414 1.00 0.00 H new ATOM 1015 N LYS A 76 13.937 0.852 -5.509 1.00 0.00 N ATOM 1016 CA LYS A 76 15.206 0.275 -5.916 1.00 0.00 C ATOM 1017 C LYS A 76 15.025 -1.127 -6.500 1.00 0.00 C ATOM 1018 O LYS A 76 15.717 -1.493 -7.448 1.00 0.00 O ATOM 1019 CB LYS A 76 16.175 0.266 -4.713 1.00 0.00 C ATOM 1020 CG LYS A 76 15.591 -0.113 -3.331 1.00 0.00 C ATOM 1021 CD LYS A 76 15.779 -1.569 -2.905 1.00 0.00 C ATOM 1022 CE LYS A 76 14.964 -1.785 -1.616 1.00 0.00 C ATOM 1023 NZ LYS A 76 14.534 -3.177 -1.393 1.00 0.00 N ATOM 0 H LYS A 76 14.007 1.305 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 76 15.633 0.890 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.985 -0.428 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.619 1.258 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.047 0.528 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.524 0.110 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.440 -2.245 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.833 -1.785 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.562 -1.462 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.082 -1.146 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.770 -3.196 -0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.190 -3.581 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.339 -3.738 -1.047 1.00 0.00 H new ATOM 1033 N SER A 77 14.119 -1.921 -5.923 1.00 0.00 N ATOM 1034 CA SER A 77 13.916 -3.312 -6.294 1.00 0.00 C ATOM 1035 C SER A 77 12.433 -3.636 -6.377 1.00 0.00 C ATOM 1036 O SER A 77 11.599 -2.916 -5.827 1.00 0.00 O ATOM 1037 CB SER A 77 14.567 -4.205 -5.224 1.00 0.00 C ATOM 1038 OG SER A 77 13.937 -4.053 -3.955 1.00 0.00 O ATOM 0 H SER A 77 13.501 -1.605 -5.176 1.00 0.00 H new ATOM 0 HA SER A 77 14.366 -3.490 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.509 -5.248 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.625 -3.956 -5.137 1.00 0.00 H new ATOM 0 HG SER A 77 13.147 -4.632 -3.910 1.00 0.00 H new ATOM 1043 N THR A 78 12.096 -4.752 -7.022 1.00 0.00 N ATOM 1044 CA THR A 78 10.810 -5.362 -6.772 1.00 0.00 C ATOM 1045 C THR A 78 10.854 -5.858 -5.320 1.00 0.00 C ATOM 1046 O THR A 78 11.936 -5.972 -4.735 1.00 0.00 O ATOM 1047 CB THR A 78 10.599 -6.512 -7.761 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.817 -7.221 -7.897 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.230 -5.951 -9.138 1.00 0.00 C ATOM 0 H THR A 78 12.684 -5.235 -7.702 1.00 0.00 H new ATOM 0 HA THR A 78 9.980 -4.669 -6.907 1.00 0.00 H new ATOM 0 HB THR A 78 9.803 -7.160 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.696 -7.962 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.081 -6.773 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.311 -5.370 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.035 -5.310 -9.497 1.00 0.00 H new ATOM 1057 N MET A 79 9.696 -6.119 -4.721 1.00 0.00 N ATOM 1058 CA MET A 79 9.611 -6.632 -3.368 1.00 0.00 C ATOM 1059 C MET A 79 8.204 -7.181 -3.142 1.00 0.00 C ATOM 1060 O MET A 79 7.303 -6.885 -3.928 1.00 0.00 O ATOM 1061 CB MET A 79 9.965 -5.525 -2.371 1.00 0.00 C ATOM 1062 CG MET A 79 9.084 -4.282 -2.563 1.00 0.00 C ATOM 1063 SD MET A 79 8.585 -3.483 -1.029 1.00 0.00 S ATOM 1064 CE MET A 79 7.543 -4.774 -0.318 1.00 0.00 C ATOM 0 H MET A 79 8.789 -5.978 -5.167 1.00 0.00 H new ATOM 0 HA MET A 79 10.324 -7.442 -3.216 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.848 -5.900 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.013 -5.250 -2.490 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.623 -3.560 -3.176 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.190 -4.567 -3.118 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.165 -4.445 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.705 -4.974 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.129 -5.684 -0.188 1.00 0.00 H new ATOM 1072 N ARG A 80 8.027 -7.988 -2.091 1.00 0.00 N ATOM 1073 CA ARG A 80 6.788 -8.711 -1.834 1.00 0.00 C ATOM 1074 C ARG A 80 5.665 -7.770 -1.388 1.00 0.00 C ATOM 1075 O ARG A 80 5.725 -7.158 -0.320 1.00 0.00 O ATOM 1076 CB ARG A 80 7.016 -9.849 -0.820 1.00 0.00 C ATOM 1077 CG ARG A 80 7.158 -11.214 -1.511 1.00 0.00 C ATOM 1078 CD ARG A 80 8.458 -11.388 -2.306 1.00 0.00 C ATOM 1079 NE ARG A 80 9.587 -11.759 -1.439 1.00 0.00 N ATOM 1080 CZ ARG A 80 10.695 -12.390 -1.867 1.00 0.00 C ATOM 1081 NH1 ARG A 80 10.927 -12.558 -3.171 1.00 0.00 N ATOM 1082 NH2 ARG A 80 11.573 -12.862 -0.975 1.00 0.00 N ATOM 0 H ARG A 80 8.750 -8.156 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 80 6.466 -9.163 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.914 -9.642 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.182 -9.882 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.100 -11.998 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.313 -11.357 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.318 -12.155 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.691 -10.460 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 80 9.526 -11.522 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.260 -12.206 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.772 -13.039 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.400 -12.742 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.415 -13.342 -1.293 1.00 0.00 H new ATOM 1093 N ILE A 81 4.615 -7.693 -2.202 1.00 0.00 N ATOM 1094 CA ILE A 81 3.382 -6.989 -1.918 1.00 0.00 C ATOM 1095 C ILE A 81 2.328 -8.012 -1.509 1.00 0.00 C ATOM 1096 O ILE A 81 2.275 -9.125 -2.037 1.00 0.00 O ATOM 1097 CB ILE A 81 2.869 -6.235 -3.155 1.00 0.00 C ATOM 1098 CG1 ILE A 81 3.940 -5.756 -4.151 1.00 0.00 C ATOM 1099 CG2 ILE A 81 1.995 -5.054 -2.754 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.923 -4.746 -3.564 1.00 0.00 C ATOM 0 H ILE A 81 4.607 -8.143 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 81 3.570 -6.267 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 81 2.292 -6.990 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.496 -6.620 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.446 -5.308 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.646 -4.539 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.138 -5.413 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.575 -4.364 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.646 -4.457 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.380 -3.864 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.446 -5.196 -2.720 1.00 0.00 H new ATOM 1111 N THR A 82 1.460 -7.582 -0.604 1.00 0.00 N ATOM 1112 CA THR A 82 0.277 -8.278 -0.152 1.00 0.00 C ATOM 1113 C THR A 82 -0.911 -7.388 -0.530 1.00 0.00 C ATOM 1114 O THR A 82 -1.390 -6.594 0.276 1.00 0.00 O ATOM 1115 CB THR A 82 0.408 -8.546 1.363 1.00 0.00 C ATOM 1116 OG1 THR A 82 1.350 -7.683 1.977 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.908 -9.971 1.604 1.00 0.00 C ATOM 0 H THR A 82 1.576 -6.681 -0.141 1.00 0.00 H new ATOM 0 HA THR A 82 0.136 -9.255 -0.615 1.00 0.00 H new ATOM 0 HB THR A 82 -0.582 -8.383 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.256 -8.019 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.997 -10.149 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.202 -10.682 1.175 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.883 -10.099 1.133 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.367 -7.469 -1.783 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.380 -6.538 -2.256 1.00 0.00 C ATOM 1127 C ASP A 83 -3.738 -6.886 -1.648 1.00 0.00 C ATOM 1128 O ASP A 83 -4.246 -7.968 -1.940 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.447 -6.523 -3.784 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.459 -5.482 -4.240 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.245 -4.300 -3.886 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.431 -5.889 -4.910 1.00 0.00 O ATOM 0 H ASP A 83 -1.056 -8.155 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.104 -5.534 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.465 -6.296 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.731 -7.508 -4.155 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.313 -6.031 -0.790 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.545 -6.365 -0.085 1.00 0.00 C ATOM 1138 C CYS A 84 -6.742 -5.816 -0.846 1.00 0.00 C ATOM 1139 O CYS A 84 -6.854 -4.600 -0.997 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.556 -5.822 1.352 1.00 0.00 C ATOM 1141 SG CYS A 84 -6.947 -6.476 2.291 1.00 0.00 S ATOM 0 H CYS A 84 -3.941 -5.107 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.603 -7.452 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.623 -6.086 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.609 -4.733 1.331 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.625 -6.695 -1.327 1.00 0.00 N ATOM 1146 CA ARG A 85 -8.770 -6.319 -2.145 1.00 0.00 C ATOM 1147 C ARG A 85 -10.042 -6.817 -1.471 1.00 0.00 C ATOM 1148 O ARG A 85 -10.006 -7.837 -0.781 1.00 0.00 O ATOM 1149 CB ARG A 85 -8.642 -6.980 -3.528 1.00 0.00 C ATOM 1150 CG ARG A 85 -9.628 -6.389 -4.549 1.00 0.00 C ATOM 1151 CD ARG A 85 -9.786 -7.256 -5.803 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.143 -7.083 -6.355 1.00 0.00 N ATOM 1153 CZ ARG A 85 -11.511 -7.296 -7.628 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -10.632 -7.799 -8.503 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -12.759 -7.012 -8.017 1.00 0.00 N ATOM 0 H ARG A 85 -7.560 -7.698 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.807 -5.235 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.623 -6.855 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.818 -8.052 -3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.602 -6.265 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.287 -5.396 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.041 -6.976 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.613 -8.304 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.869 -6.773 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.683 -8.020 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.911 -7.961 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.429 -6.634 -7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.041 -7.173 -8.984 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.169 -6.168 -1.766 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.476 -6.687 -1.423 1.00 0.00 C ATOM 1168 C GLU A 86 -12.824 -7.807 -2.416 1.00 0.00 C ATOM 1169 O GLU A 86 -12.611 -7.670 -3.626 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.525 -5.568 -1.490 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.651 -4.852 -2.849 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.846 -3.912 -2.906 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.744 -4.071 -2.051 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.848 -3.070 -3.827 1.00 0.00 O ATOM 0 H GLU A 86 -11.192 -5.270 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.469 -7.080 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.496 -5.989 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.286 -4.825 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.739 -4.287 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.740 -5.596 -3.641 1.00 0.00 H new ATOM 1179 N THR A 87 -13.322 -8.936 -1.911 1.00 0.00 N ATOM 1180 CA THR A 87 -13.742 -10.065 -2.724 1.00 0.00 C ATOM 1181 C THR A 87 -14.892 -10.769 -2.013 1.00 0.00 C ATOM 1182 O THR A 87 -15.235 -10.424 -0.884 1.00 0.00 O ATOM 1183 CB THR A 87 -12.579 -11.049 -2.931 1.00 0.00 C ATOM 1184 OG1 THR A 87 -12.210 -11.620 -1.696 1.00 0.00 O ATOM 1185 CG2 THR A 87 -11.346 -10.397 -3.549 1.00 0.00 C ATOM 0 H THR A 87 -13.445 -9.089 -0.910 1.00 0.00 H new ATOM 0 HA THR A 87 -14.062 -9.708 -3.703 1.00 0.00 H new ATOM 0 HB THR A 87 -12.938 -11.808 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.012 -12.572 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.561 -11.144 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.604 -9.981 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.991 -9.599 -2.897 1.00 0.00 H new ATOM 1193 N GLY A 88 -15.470 -11.782 -2.661 1.00 0.00 N ATOM 1194 CA GLY A 88 -16.418 -12.681 -2.031 1.00 0.00 C ATOM 1195 C GLY A 88 -17.789 -12.035 -1.866 1.00 0.00 C ATOM 1196 O GLY A 88 -18.748 -12.434 -2.523 1.00 0.00 O ATOM 0 H GLY A 88 -15.288 -11.996 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -16.513 -13.587 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -16.039 -12.983 -1.055 1.00 0.00 H new ATOM 1199 N SER A 89 -17.877 -11.042 -0.982 1.00 0.00 N ATOM 1200 CA SER A 89 -19.137 -10.475 -0.533 1.00 0.00 C ATOM 1201 C SER A 89 -18.850 -9.316 0.423 1.00 0.00 C ATOM 1202 O SER A 89 -19.142 -9.402 1.613 1.00 0.00 O ATOM 1203 CB SER A 89 -19.983 -11.581 0.129 1.00 0.00 C ATOM 1204 OG SER A 89 -19.178 -12.430 0.931 1.00 0.00 O ATOM 0 H SER A 89 -17.060 -10.606 -0.554 1.00 0.00 H new ATOM 0 HA SER A 89 -19.708 -10.080 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.763 -11.129 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.483 -12.169 -0.640 1.00 0.00 H new ATOM 0 HG SER A 89 -19.739 -13.121 1.341 1.00 0.00 H new ATOM 1209 N SER A 90 -18.275 -8.222 -0.086 1.00 0.00 N ATOM 1210 CA SER A 90 -17.814 -7.099 0.718 1.00 0.00 C ATOM 1211 C SER A 90 -18.983 -6.207 1.173 1.00 0.00 C ATOM 1212 O SER A 90 -19.034 -5.005 0.920 1.00 0.00 O ATOM 1213 CB SER A 90 -16.720 -6.388 -0.079 1.00 0.00 C ATOM 1214 OG SER A 90 -17.140 -6.225 -1.420 1.00 0.00 O ATOM 0 H SER A 90 -18.117 -8.095 -1.086 1.00 0.00 H new ATOM 0 HA SER A 90 -17.377 -7.430 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.505 -5.417 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.797 -6.966 -0.044 1.00 0.00 H new ATOM 0 HG SER A 90 -16.686 -5.450 -1.813 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.932 -6.811 1.888 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.180 -6.205 2.305 1.00 0.00 C ATOM 1221 C LYS A 91 -20.986 -5.400 3.587 1.00 0.00 C ATOM 1222 O LYS A 91 -21.439 -5.824 4.648 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.229 -7.313 2.494 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.698 -7.875 1.141 1.00 0.00 C ATOM 1225 CD LYS A 91 -24.164 -8.333 1.190 1.00 0.00 C ATOM 1226 CE LYS A 91 -25.125 -7.130 1.149 1.00 0.00 C ATOM 1227 NZ LYS A 91 -26.543 -7.540 1.231 1.00 0.00 N ATOM 0 H LYS A 91 -19.840 -7.777 2.202 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.527 -5.511 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.807 -8.117 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.084 -6.918 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.581 -7.113 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.064 -8.715 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.369 -8.995 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.337 -8.910 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.896 -6.457 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.964 -6.571 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.151 -6.697 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.772 -8.161 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.706 -8.051 2.122 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.375 -4.215 3.480 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.191 -3.294 4.604 1.00 0.00 C ATOM 1239 C TYR A 92 -21.472 -3.226 5.453 1.00 0.00 C ATOM 1240 O TYR A 92 -22.547 -2.997 4.899 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.865 -1.894 4.055 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.893 -0.800 5.105 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -18.806 -0.648 5.983 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -21.074 -0.065 5.324 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -18.918 0.192 7.104 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -21.177 0.795 6.431 1.00 0.00 C ATOM 1247 CZ TYR A 92 -20.102 0.914 7.329 1.00 0.00 C ATOM 1248 OH TYR A 92 -20.233 1.673 8.453 1.00 0.00 O ATOM 0 H TYR A 92 -19.991 -3.866 2.602 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.373 -3.650 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.878 -1.916 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.579 -1.648 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -17.883 -1.177 5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -21.903 -0.162 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -18.092 0.283 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -22.081 1.364 6.591 1.00 0.00 H new ATOM 0 HH TYR A 92 -19.883 2.572 8.283 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.394 -3.438 6.780 1.00 0.00 N ATOM 1258 CA PRO A 93 -20.183 -3.567 7.587 1.00 0.00 C ATOM 1259 C PRO A 93 -19.483 -4.927 7.463 1.00 0.00 C ATOM 1260 O PRO A 93 -18.301 -5.035 7.783 1.00 0.00 O ATOM 1261 CB PRO A 93 -20.641 -3.332 9.022 1.00 0.00 C ATOM 1262 CG PRO A 93 -22.084 -3.827 9.025 1.00 0.00 C ATOM 1263 CD PRO A 93 -22.570 -3.432 7.631 1.00 0.00 C ATOM 0 HA PRO A 93 -19.435 -2.852 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.027 -3.883 9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.578 -2.279 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -22.144 -4.903 9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -22.674 -3.354 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -23.319 -4.134 7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -23.036 -2.447 7.645 1.00 0.00 H new ATOM 1268 N ASN A 94 -20.180 -5.958 6.982 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.612 -7.274 6.701 1.00 0.00 C ATOM 1270 C ASN A 94 -18.761 -7.198 5.428 1.00 0.00 C ATOM 1271 O ASN A 94 -19.056 -7.853 4.431 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.754 -8.307 6.576 1.00 0.00 C ATOM 1273 CG ASN A 94 -21.110 -8.942 7.917 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -21.149 -10.160 8.046 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -21.378 -8.125 8.931 1.00 0.00 N ATOM 0 H ASN A 94 -21.177 -5.898 6.773 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.962 -7.594 7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.637 -7.821 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.460 -9.087 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -21.623 -8.508 9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -21.338 -7.115 8.796 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.695 -6.389 5.446 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.737 -6.406 4.347 1.00 0.00 C ATOM 1283 C CYS A 95 -15.913 -7.690 4.390 1.00 0.00 C ATOM 1284 O CYS A 95 -15.808 -8.338 5.429 1.00 0.00 O ATOM 1285 CB CYS A 95 -15.889 -5.138 4.239 1.00 0.00 C ATOM 1286 SG CYS A 95 -16.789 -3.823 3.390 1.00 0.00 S ATOM 0 H CYS A 95 -17.481 -5.730 6.194 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.308 -6.405 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.603 -4.802 5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.967 -5.358 3.700 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.362 -8.063 3.236 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.781 -9.367 2.980 1.00 0.00 C ATOM 1292 C ALA A 96 -13.541 -9.163 2.121 1.00 0.00 C ATOM 1293 O ALA A 96 -13.663 -8.715 0.981 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.830 -10.189 2.231 1.00 0.00 C ATOM 0 H ALA A 96 -15.309 -7.440 2.430 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.497 -9.884 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.431 -11.181 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.726 -10.282 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.082 -9.691 1.295 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.357 -9.432 2.680 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.096 -9.109 2.035 1.00 0.00 C ATOM 1302 C TYR A 97 -10.270 -10.351 1.708 1.00 0.00 C ATOM 1303 O TYR A 97 -10.289 -11.327 2.463 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.292 -8.197 2.952 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.835 -6.800 3.117 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.347 -5.792 2.272 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.618 -6.463 4.235 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.538 -4.449 2.610 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.880 -5.111 4.525 1.00 0.00 C ATOM 1310 CZ TYR A 97 -11.333 -4.101 3.715 1.00 0.00 C ATOM 1311 OH TYR A 97 -11.424 -2.799 4.110 1.00 0.00 O ATOM 0 H TYR A 97 -12.254 -9.879 3.591 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.324 -8.614 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.230 -8.663 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.274 -8.129 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.825 -6.053 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.018 -7.240 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.072 -3.675 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -12.501 -4.850 5.369 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.632 -2.560 4.636 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.496 -10.281 0.619 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.539 -11.298 0.211 1.00 0.00 C ATOM 1322 C LYS A 98 -7.241 -10.608 -0.210 1.00 0.00 C ATOM 1323 O LYS A 98 -7.271 -9.586 -0.897 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.161 -12.149 -0.912 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.426 -13.445 -1.296 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.098 -13.222 -2.037 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.065 -13.713 -3.485 1.00 0.00 C ATOM 1328 NZ LYS A 98 -5.755 -13.404 -4.105 1.00 0.00 N ATOM 0 H LYS A 98 -9.525 -9.486 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.298 -11.975 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.177 -12.411 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.240 -11.527 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.232 -14.021 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.082 -14.049 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.870 -12.156 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.304 -13.723 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.245 -14.788 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.865 -13.240 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.596 -14.038 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.750 -12.417 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.999 -13.540 -3.404 1.00 0.00 H new ATOM 1338 N THR A 99 -6.105 -11.195 0.189 1.00 0.00 N ATOM 1339 CA THR A 99 -4.768 -10.704 -0.112 1.00 0.00 C ATOM 1340 C THR A 99 -4.184 -11.425 -1.330 1.00 0.00 C ATOM 1341 O THR A 99 -4.173 -12.659 -1.381 1.00 0.00 O ATOM 1342 CB THR A 99 -3.862 -10.931 1.102 1.00 0.00 C ATOM 1343 OG1 THR A 99 -4.609 -10.803 2.291 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.701 -9.944 1.129 1.00 0.00 C ATOM 0 H THR A 99 -6.099 -12.049 0.746 1.00 0.00 H new ATOM 0 HA THR A 99 -4.829 -9.640 -0.339 1.00 0.00 H new ATOM 0 HB THR A 99 -3.453 -11.939 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.050 -9.928 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.080 -10.136 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.102 -10.062 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.089 -8.927 1.176 1.00 0.00 H new ATOM 1352 N THR A 100 -3.674 -10.683 -2.307 1.00 0.00 N ATOM 1353 CA THR A 100 -2.966 -11.225 -3.454 1.00 0.00 C ATOM 1354 C THR A 100 -1.462 -11.004 -3.252 1.00 0.00 C ATOM 1355 O THR A 100 -0.985 -9.871 -3.256 1.00 0.00 O ATOM 1356 CB THR A 100 -3.544 -10.592 -4.724 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.923 -10.932 -4.795 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.855 -11.100 -5.991 1.00 0.00 C ATOM 0 H THR A 100 -3.745 -9.666 -2.321 1.00 0.00 H new ATOM 0 HA THR A 100 -3.100 -12.301 -3.561 1.00 0.00 H new ATOM 0 HB THR A 100 -3.389 -9.514 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.317 -10.536 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.300 -10.622 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.792 -10.860 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.981 -12.180 -6.065 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.734 -12.107 -3.039 1.00 0.00 N ATOM 1367 CA GLN A 101 0.716 -12.143 -2.920 1.00 0.00 C ATOM 1368 C GLN A 101 1.324 -11.978 -4.317 1.00 0.00 C ATOM 1369 O GLN A 101 1.118 -12.846 -5.164 1.00 0.00 O ATOM 1370 CB GLN A 101 1.133 -13.504 -2.336 1.00 0.00 C ATOM 1371 CG GLN A 101 0.672 -13.738 -0.887 1.00 0.00 C ATOM 1372 CD GLN A 101 1.548 -13.035 0.146 1.00 0.00 C ATOM 1373 OE1 GLN A 101 2.444 -12.269 -0.193 1.00 0.00 O ATOM 1374 NE2 GLN A 101 1.311 -13.290 1.429 1.00 0.00 N ATOM 0 H GLN A 101 -1.161 -13.028 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 101 1.065 -11.343 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.729 -14.296 -2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.219 -13.587 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.355 -13.390 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.669 -14.809 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.561 -13.930 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.879 -12.846 2.151 1.00 0.00 H new ATOM 1381 N VAL A 102 2.065 -10.897 -4.567 1.00 0.00 N ATOM 1382 CA VAL A 102 2.809 -10.677 -5.808 1.00 0.00 C ATOM 1383 C VAL A 102 4.037 -9.845 -5.452 1.00 0.00 C ATOM 1384 O VAL A 102 3.991 -9.154 -4.441 1.00 0.00 O ATOM 1385 CB VAL A 102 1.953 -9.942 -6.862 1.00 0.00 C ATOM 1386 CG1 VAL A 102 0.978 -10.887 -7.572 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.186 -8.743 -6.281 1.00 0.00 C ATOM 0 H VAL A 102 2.167 -10.134 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 102 3.092 -11.634 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 102 2.664 -9.559 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.397 -10.327 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.537 -11.674 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.305 -11.333 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.603 -8.267 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.517 -9.087 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.894 -8.024 -5.869 1.00 0.00 H new ATOM 1397 N GLU A 103 5.111 -9.876 -6.253 1.00 0.00 N ATOM 1398 CA GLU A 103 6.268 -9.013 -6.041 1.00 0.00 C ATOM 1399 C GLU A 103 6.439 -8.013 -7.179 1.00 0.00 C ATOM 1400 O GLU A 103 6.499 -8.394 -8.346 1.00 0.00 O ATOM 1401 CB GLU A 103 7.540 -9.799 -5.722 1.00 0.00 C ATOM 1402 CG GLU A 103 7.817 -11.047 -6.569 1.00 0.00 C ATOM 1403 CD GLU A 103 8.949 -11.861 -5.952 1.00 0.00 C ATOM 1404 OE1 GLU A 103 9.694 -11.281 -5.128 1.00 0.00 O ATOM 1405 OE2 GLU A 103 9.028 -13.068 -6.244 1.00 0.00 O ATOM 0 H GLU A 103 5.197 -10.496 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 103 6.070 -8.424 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.390 -9.124 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.498 -10.102 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.916 -11.657 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.081 -10.755 -7.585 1.00 0.00 H new ATOM 1410 N LYS A 104 6.467 -6.727 -6.824 1.00 0.00 N ATOM 1411 CA LYS A 104 6.434 -5.583 -7.721 1.00 0.00 C ATOM 1412 C LYS A 104 7.305 -4.494 -7.086 1.00 0.00 C ATOM 1413 O LYS A 104 7.664 -4.610 -5.915 1.00 0.00 O ATOM 1414 CB LYS A 104 4.988 -5.095 -7.860 1.00 0.00 C ATOM 1415 CG LYS A 104 4.209 -5.652 -9.054 1.00 0.00 C ATOM 1416 CD LYS A 104 3.716 -7.088 -8.873 1.00 0.00 C ATOM 1417 CE LYS A 104 2.347 -7.269 -9.535 1.00 0.00 C ATOM 1418 NZ LYS A 104 2.372 -6.923 -10.972 1.00 0.00 N ATOM 0 H LYS A 104 6.516 -6.446 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 104 6.806 -5.839 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.449 -5.350 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.997 -4.007 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.351 -5.008 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.844 -5.608 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.433 -7.783 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.648 -7.325 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.022 -8.303 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.613 -6.645 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.493 -7.248 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.455 -5.892 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.186 -7.385 -11.426 1.00 0.00 H new ATOM 1428 N HIS A 105 7.650 -3.440 -7.827 1.00 0.00 N ATOM 1429 CA HIS A 105 8.285 -2.266 -7.235 1.00 0.00 C ATOM 1430 C HIS A 105 7.202 -1.471 -6.525 1.00 0.00 C ATOM 1431 O HIS A 105 6.269 -1.036 -7.192 1.00 0.00 O ATOM 1432 CB HIS A 105 8.898 -1.328 -8.286 1.00 0.00 C ATOM 1433 CG HIS A 105 9.728 -1.984 -9.350 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.223 -2.518 -10.516 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.093 -1.976 -9.434 1.00 0.00 C ATOM 1436 CE1 HIS A 105 10.262 -2.854 -11.298 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.407 -2.534 -10.659 1.00 0.00 N ATOM 0 H HIS A 105 7.500 -3.377 -8.834 1.00 0.00 H new ATOM 0 HA HIS A 105 9.079 -2.616 -6.575 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.090 -0.780 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.518 -0.594 -7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.786 -1.608 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.193 -3.306 -12.277 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.349 -2.680 -11.021 1.00 0.00 H new ATOM 1445 N ILE A 106 7.309 -1.232 -5.219 1.00 0.00 N ATOM 1446 CA ILE A 106 6.411 -0.265 -4.603 1.00 0.00 C ATOM 1447 C ILE A 106 6.710 1.117 -5.173 1.00 0.00 C ATOM 1448 O ILE A 106 7.868 1.423 -5.476 1.00 0.00 O ATOM 1449 CB ILE A 106 6.516 -0.257 -3.073 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.946 -0.004 -2.567 1.00 0.00 C ATOM 1451 CG2 ILE A 106 5.959 -1.576 -2.554 1.00 0.00 C ATOM 1452 CD1 ILE A 106 8.022 0.238 -1.061 1.00 0.00 C ATOM 0 H ILE A 106 7.980 -1.675 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 106 5.386 -0.553 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 106 5.931 0.577 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.571 -0.860 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.360 0.859 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.023 -1.595 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.917 -1.676 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.538 -2.403 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 106 9.059 0.409 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.424 1.112 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.637 -0.634 -0.532 1.00 0.00 H new ATOM 1463 N ILE A 107 5.668 1.933 -5.311 1.00 0.00 N ATOM 1464 CA ILE A 107 5.742 3.315 -5.731 1.00 0.00 C ATOM 1465 C ILE A 107 5.105 4.139 -4.599 1.00 0.00 C ATOM 1466 O ILE A 107 3.898 4.016 -4.363 1.00 0.00 O ATOM 1467 CB ILE A 107 5.048 3.517 -7.097 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.173 2.357 -8.106 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.565 4.814 -7.723 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.563 2.120 -8.692 1.00 0.00 C ATOM 0 H ILE A 107 4.713 1.629 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 107 6.770 3.640 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 107 3.981 3.560 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.847 1.440 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.482 2.542 -8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 107 5.083 4.969 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 107 5.337 5.652 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.644 4.746 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.527 1.281 -9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.892 3.015 -9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.263 1.895 -7.888 1.00 0.00 H new ATOM 1481 N VAL A 108 5.900 4.917 -3.844 1.00 0.00 N ATOM 1482 CA VAL A 108 5.410 5.646 -2.665 1.00 0.00 C ATOM 1483 C VAL A 108 5.584 7.156 -2.810 1.00 0.00 C ATOM 1484 O VAL A 108 6.533 7.620 -3.432 1.00 0.00 O ATOM 1485 CB VAL A 108 6.016 5.139 -1.342 1.00 0.00 C ATOM 1486 CG1 VAL A 108 5.860 3.622 -1.199 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.478 5.556 -1.151 1.00 0.00 C ATOM 0 H VAL A 108 6.893 5.057 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 108 4.341 5.437 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 108 5.447 5.622 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.298 3.299 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.802 3.362 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.369 3.124 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.846 5.168 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.081 5.153 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.549 6.644 -1.151 1.00 0.00 H new ATOM 1497 N ALA A 109 4.659 7.911 -2.219 1.00 0.00 N ATOM 1498 CA ALA A 109 4.560 9.356 -2.296 1.00 0.00 C ATOM 1499 C ALA A 109 5.446 10.000 -1.232 1.00 0.00 C ATOM 1500 O ALA A 109 5.145 9.888 -0.042 1.00 0.00 O ATOM 1501 CB ALA A 109 3.100 9.734 -2.068 1.00 0.00 C ATOM 0 H ALA A 109 3.922 7.503 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 109 4.895 9.710 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.992 10.817 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.480 9.271 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.783 9.385 -1.085 1.00 0.00 H new ATOM 1507 N CYS A 110 6.525 10.665 -1.653 1.00 0.00 N ATOM 1508 CA CYS A 110 7.511 11.253 -0.749 1.00 0.00 C ATOM 1509 C CYS A 110 7.220 12.736 -0.547 1.00 0.00 C ATOM 1510 O CYS A 110 6.861 13.419 -1.506 1.00 0.00 O ATOM 1511 CB CYS A 110 8.903 11.073 -1.345 1.00 0.00 C ATOM 1512 SG CYS A 110 10.308 11.374 -0.243 1.00 0.00 S ATOM 0 H CYS A 110 6.739 10.810 -2.640 1.00 0.00 H new ATOM 0 HA CYS A 110 7.459 10.754 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.981 10.054 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.994 11.740 -2.202 1.00 0.00 H new ATOM 1516 N GLY A 111 7.361 13.251 0.677 1.00 0.00 N ATOM 1517 CA GLY A 111 7.136 14.668 0.926 1.00 0.00 C ATOM 1518 C GLY A 111 7.084 14.994 2.415 1.00 0.00 C ATOM 1519 O GLY A 111 7.232 14.113 3.255 1.00 0.00 O ATOM 0 H GLY A 111 7.627 12.711 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.931 15.248 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.201 14.973 0.457 1.00 0.00 H new ATOM 1522 N GLY A 112 6.857 16.274 2.732 1.00 0.00 N ATOM 1523 CA GLY A 112 6.743 16.744 4.106 1.00 0.00 C ATOM 1524 C GLY A 112 8.085 16.632 4.828 1.00 0.00 C ATOM 1525 O GLY A 112 8.230 15.789 5.708 1.00 0.00 O ATOM 0 H GLY A 112 6.748 17.011 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.405 17.780 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.990 16.159 4.634 1.00 0.00 H new ATOM 1528 N LYS A 113 9.042 17.491 4.441 1.00 0.00 N ATOM 1529 CA LYS A 113 10.433 17.454 4.897 1.00 0.00 C ATOM 1530 C LYS A 113 10.559 17.074 6.385 1.00 0.00 C ATOM 1531 O LYS A 113 9.867 17.678 7.206 1.00 0.00 O ATOM 1532 CB LYS A 113 11.184 18.753 4.546 1.00 0.00 C ATOM 1533 CG LYS A 113 10.874 20.013 5.374 1.00 0.00 C ATOM 1534 CD LYS A 113 9.496 20.617 5.064 1.00 0.00 C ATOM 1535 CE LYS A 113 9.229 21.916 5.842 1.00 0.00 C ATOM 1536 NZ LYS A 113 10.202 22.987 5.536 1.00 0.00 N ATOM 0 H LYS A 113 8.860 18.250 3.784 1.00 0.00 H new ATOM 0 HA LYS A 113 10.924 16.652 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.252 18.554 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.982 18.983 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.925 19.765 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.643 20.762 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.424 20.817 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.722 19.888 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.224 22.270 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.255 21.704 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.877 23.882 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.130 22.737 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.284 23.097 4.505 1.00 0.00 H new ATOM 1546 N PRO A 114 11.433 16.126 6.770 1.00 0.00 N ATOM 1547 CA PRO A 114 12.480 15.495 5.970 1.00 0.00 C ATOM 1548 C PRO A 114 11.937 14.505 4.932 1.00 0.00 C ATOM 1549 O PRO A 114 10.732 14.331 4.790 1.00 0.00 O ATOM 1550 CB PRO A 114 13.403 14.814 6.991 1.00 0.00 C ATOM 1551 CG PRO A 114 12.470 14.493 8.157 1.00 0.00 C ATOM 1552 CD PRO A 114 11.509 15.679 8.152 1.00 0.00 C ATOM 0 HA PRO A 114 13.008 16.234 5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.858 13.912 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.217 15.471 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.948 13.548 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.012 14.414 9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.526 15.387 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.870 16.477 8.801 1.00 0.00 H new ATOM 1557 N SER A 115 12.836 13.893 4.156 1.00 0.00 N ATOM 1558 CA SER A 115 12.471 13.036 3.034 1.00 0.00 C ATOM 1559 C SER A 115 11.804 11.750 3.544 1.00 0.00 C ATOM 1560 O SER A 115 12.485 10.744 3.742 1.00 0.00 O ATOM 1561 CB SER A 115 13.722 12.757 2.185 1.00 0.00 C ATOM 1562 OG SER A 115 13.368 12.234 0.923 1.00 0.00 O ATOM 0 H SER A 115 13.843 13.981 4.293 1.00 0.00 H new ATOM 0 HA SER A 115 11.741 13.536 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.291 13.678 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.370 12.053 2.706 1.00 0.00 H new ATOM 0 HG SER A 115 12.402 12.072 0.895 1.00 0.00 H new ATOM 1567 N VAL A 116 10.489 11.792 3.798 1.00 0.00 N ATOM 1568 CA VAL A 116 9.704 10.670 4.312 1.00 0.00 C ATOM 1569 C VAL A 116 8.484 10.409 3.416 1.00 0.00 C ATOM 1570 O VAL A 116 7.972 11.343 2.793 1.00 0.00 O ATOM 1571 CB VAL A 116 9.300 10.920 5.776 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.549 11.183 6.626 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.305 12.076 5.946 1.00 0.00 C ATOM 0 H VAL A 116 9.930 12.632 3.646 1.00 0.00 H new ATOM 0 HA VAL A 116 10.320 9.771 4.293 1.00 0.00 H new ATOM 0 HB VAL A 116 8.792 10.017 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.255 11.359 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.210 10.318 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.072 12.060 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.064 12.196 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.749 12.997 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.394 11.857 5.389 1.00 0.00 H new ATOM 1583 N PRO A 117 8.023 9.150 3.302 1.00 0.00 N ATOM 1584 CA PRO A 117 6.859 8.823 2.512 1.00 0.00 C ATOM 1585 C PRO A 117 5.607 9.080 3.341 1.00 0.00 C ATOM 1586 O PRO A 117 5.550 8.697 4.507 1.00 0.00 O ATOM 1587 CB PRO A 117 7.019 7.366 2.099 1.00 0.00 C ATOM 1588 CG PRO A 117 7.871 6.757 3.210 1.00 0.00 C ATOM 1589 CD PRO A 117 8.644 7.941 3.810 1.00 0.00 C ATOM 0 HA PRO A 117 6.762 9.437 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.054 6.866 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.507 7.278 1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.250 6.269 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.550 6.000 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.606 7.915 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.696 7.899 3.527 1.00 0.00 H new ATOM 1594 N VAL A 118 4.619 9.746 2.741 1.00 0.00 N ATOM 1595 CA VAL A 118 3.369 10.096 3.414 1.00 0.00 C ATOM 1596 C VAL A 118 2.140 9.555 2.681 1.00 0.00 C ATOM 1597 O VAL A 118 1.018 9.693 3.173 1.00 0.00 O ATOM 1598 CB VAL A 118 3.286 11.614 3.654 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.449 12.094 4.529 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.282 12.405 2.337 1.00 0.00 C ATOM 0 H VAL A 118 4.664 10.059 1.771 1.00 0.00 H new ATOM 0 HA VAL A 118 3.372 9.607 4.388 1.00 0.00 H new ATOM 0 HB VAL A 118 2.343 11.798 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.368 13.170 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.414 11.585 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.394 11.869 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.222 13.472 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.199 12.197 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.422 12.108 1.737 1.00 0.00 H new ATOM 1610 N HIS A 119 2.320 8.936 1.512 1.00 0.00 N ATOM 1611 CA HIS A 119 1.255 8.205 0.851 1.00 0.00 C ATOM 1612 C HIS A 119 1.854 7.064 0.043 1.00 0.00 C ATOM 1613 O HIS A 119 3.066 6.996 -0.150 1.00 0.00 O ATOM 1614 CB HIS A 119 0.408 9.131 -0.027 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.046 8.757 -0.075 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.697 8.148 -1.136 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.963 9.065 0.890 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.010 8.132 -0.832 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.194 8.684 0.388 1.00 0.00 N ATOM 0 H HIS A 119 3.205 8.931 1.006 1.00 0.00 H new ATOM 0 HA HIS A 119 0.587 7.789 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.499 10.152 0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.809 9.123 -1.040 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.265 7.782 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.766 9.515 1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.793 7.740 -1.464 1.00 0.00 H new ATOM 1627 N PHE A 120 0.984 6.191 -0.453 1.00 0.00 N ATOM 1628 CA PHE A 120 1.303 5.176 -1.437 1.00 0.00 C ATOM 1629 C PHE A 120 0.685 5.633 -2.757 1.00 0.00 C ATOM 1630 O PHE A 120 -0.350 6.314 -2.722 1.00 0.00 O ATOM 1631 CB PHE A 120 0.717 3.846 -0.956 1.00 0.00 C ATOM 1632 CG PHE A 120 0.770 2.719 -1.955 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.933 1.936 -2.062 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.373 2.394 -2.706 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.939 0.805 -2.891 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.372 1.252 -3.521 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.781 0.456 -3.605 1.00 0.00 C ATOM 0 H PHE A 120 0.005 6.174 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 120 2.375 5.037 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.250 3.537 -0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.322 4.008 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.820 2.205 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.250 3.022 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.832 0.204 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.256 0.986 -4.082 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.778 -0.430 -4.222 1.00 0.00 H new ATOM 1646 N ASP A 121 1.326 5.288 -3.880 1.00 0.00 N ATOM 1647 CA ASP A 121 0.767 5.451 -5.215 1.00 0.00 C ATOM 1648 C ASP A 121 0.261 4.095 -5.712 1.00 0.00 C ATOM 1649 O ASP A 121 -0.945 3.881 -5.824 1.00 0.00 O ATOM 1650 CB ASP A 121 1.829 6.043 -6.153 1.00 0.00 C ATOM 1651 CG ASP A 121 1.384 5.973 -7.608 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.289 6.502 -7.890 1.00 0.00 O ATOM 1653 OD2 ASP A 121 2.140 5.387 -8.412 1.00 0.00 O ATOM 0 H ASP A 121 2.262 4.882 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.075 6.143 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.022 7.080 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.767 5.502 -6.031 1.00 0.00 H new ATOM 1657 N ALA A 122 1.183 3.170 -5.985 1.00 0.00 N ATOM 1658 CA ALA A 122 0.899 1.897 -6.633 1.00 0.00 C ATOM 1659 C ALA A 122 2.075 0.954 -6.385 1.00 0.00 C ATOM 1660 O ALA A 122 3.049 1.355 -5.753 1.00 0.00 O ATOM 1661 CB ALA A 122 0.695 2.131 -8.135 1.00 0.00 C ATOM 0 H ALA A 122 2.169 3.292 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.009 1.450 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.482 1.181 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.141 2.813 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.599 2.565 -8.562 1.00 0.00 H new ATOM 1667 N SER A 123 2.001 -0.284 -6.887 1.00 0.00 N ATOM 1668 CA SER A 123 3.145 -1.185 -6.930 1.00 0.00 C ATOM 1669 C SER A 123 3.229 -1.811 -8.319 1.00 0.00 C ATOM 1670 O SER A 123 2.306 -2.526 -8.707 1.00 0.00 O ATOM 1671 CB SER A 123 3.065 -2.286 -5.865 1.00 0.00 C ATOM 1672 OG SER A 123 2.898 -1.754 -4.569 1.00 0.00 O ATOM 0 H SER A 123 1.145 -0.683 -7.273 1.00 0.00 H new ATOM 0 HA SER A 123 4.041 -0.602 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.233 -2.952 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.973 -2.888 -5.896 1.00 0.00 H new ATOM 0 HG SER A 123 2.449 -0.885 -4.627 1.00 0.00 H new ATOM 1677 N VAL A 124 4.324 -1.583 -9.048 1.00 0.00 N ATOM 1678 CA VAL A 124 4.607 -2.272 -10.295 1.00 0.00 C ATOM 1679 C VAL A 124 6.120 -2.289 -10.533 1.00 0.00 C ATOM 1680 CB VAL A 124 3.709 -1.764 -11.446 1.00 0.00 C ATOM 1681 CG1 VAL A 124 4.463 -1.115 -12.612 1.00 0.00 C ATOM 1682 CG2 VAL A 124 2.851 -2.933 -11.962 1.00 0.00 C ATOM 0 H VAL A 124 5.041 -0.908 -8.781 1.00 0.00 H new ATOM 0 HA VAL A 124 4.325 -3.324 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 124 3.093 -0.969 -11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.750 -0.790 -13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.024 -0.254 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.152 -1.839 -13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.213 -2.585 -12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.501 -3.729 -12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.230 -3.314 -11.151 1.00 0.00 H new