USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 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 66 LYS NZ :NH3+ 175:sc= 0.0963 (180deg=-0.289) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.566 K(o=-0.47,f=-13!) USER MOD Set 2.1: A 4 GLN : amide:sc= 0.562 K(o=-7.6,f=-11) USER MOD Set 2.2: A 6 LYS NZ :NH3+ -141:sc= -0.146 (180deg=-1.23) USER MOD Set 2.3: A 26 TYR OH : rot 64:sc= -1.42 USER MOD Set 2.4: A 54 LYS NZ :NH3+ 131:sc= -6.56! (180deg=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.02 (180deg=-0.284) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -62:sc= 0.856 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 94:sc= 0.219 USER MOD Single : A 17 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.43) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0774) USER MOD Single : A 28 THR OG1 : rot -14:sc= -1.16! USER MOD Single : A 30 CYS SG : rot 180:sc= -2.96 USER MOD Single : A 33 CYS SG : rot -70:sc= -0.505 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -17:sc= 0.933 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -122:sc= 0.149 USER MOD Single : A 49 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 140:sc= -0.465 (180deg=-1.87) USER MOD Single : A 74 THR OG1 : rot 90:sc= -2.03 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0.377 (180deg=0.375) USER MOD Single : A 80 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0274 (180deg=-0.264) USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0699 (180deg=-0.486) USER MOD Single : A 91 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ -137:sc= -2.66! (180deg=-5.37!) USER MOD Single : A 97 GLN : amide:sc= -0.964! K(o=-0.96!,f=0) USER MOD Single : A 102 ASN : amide:sc= 1.09 K(o=1.1,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.455 12.117 3.127 1.00 0.00 N ATOM 2 CA MET A 1 -1.659 11.496 3.739 1.00 0.00 C ATOM 3 C MET A 1 -1.865 10.074 3.228 1.00 0.00 C ATOM 4 O MET A 1 -1.019 9.530 2.518 1.00 0.00 O ATOM 5 CB MET A 1 -2.877 12.358 3.402 1.00 0.00 C ATOM 6 CG MET A 1 -3.144 12.476 1.911 1.00 0.00 C ATOM 7 SD MET A 1 -4.584 13.497 1.542 1.00 0.00 S ATOM 8 CE MET A 1 -4.611 13.412 -0.247 1.00 0.00 C ATOM 0 H1 MET A 1 -0.675 13.092 2.840 1.00 0.00 H new ATOM 0 H2 MET A 1 0.321 12.127 3.820 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.167 11.567 2.293 1.00 0.00 H new ATOM 0 HA MET A 1 -1.523 11.442 4.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.756 11.936 3.888 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.732 13.355 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.267 12.900 1.421 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.292 11.481 1.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.449 13.997 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.679 13.814 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.721 12.374 -0.560 1.00 0.00 H new ATOM 20 N VAL A 2 -2.994 9.475 3.593 1.00 0.00 N ATOM 21 CA VAL A 2 -3.310 8.116 3.172 1.00 0.00 C ATOM 22 C VAL A 2 -4.798 7.973 2.870 1.00 0.00 C ATOM 23 O VAL A 2 -5.639 8.544 3.565 1.00 0.00 O ATOM 24 CB VAL A 2 -2.908 7.090 4.249 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.106 5.670 3.742 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.469 7.313 4.687 1.00 0.00 C ATOM 0 H VAL A 2 -3.706 9.910 4.180 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.738 7.918 2.265 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.554 7.231 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.816 4.963 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.155 5.518 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.490 5.510 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.202 6.579 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.806 7.203 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.365 8.317 5.099 1.00 0.00 H new ATOM 36 N THR A 3 -5.118 7.213 1.826 1.00 0.00 N ATOM 37 CA THR A 3 -6.509 7.006 1.436 1.00 0.00 C ATOM 38 C THR A 3 -6.736 5.590 0.911 1.00 0.00 C ATOM 39 O THR A 3 -5.795 4.898 0.524 1.00 0.00 O ATOM 40 CB THR A 3 -6.913 8.028 0.371 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.781 9.348 0.868 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.336 7.861 -0.115 1.00 0.00 C ATOM 0 H THR A 3 -4.437 6.733 1.238 1.00 0.00 H new ATOM 0 HA THR A 3 -7.129 7.141 2.322 1.00 0.00 H new ATOM 0 HB THR A 3 -6.239 7.851 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.042 9.987 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.554 8.618 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.457 6.870 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.023 7.975 0.724 1.00 0.00 H new ATOM 50 N GLN A 4 -8.000 5.175 0.898 1.00 0.00 N ATOM 51 CA GLN A 4 -8.377 3.848 0.419 1.00 0.00 C ATOM 52 C GLN A 4 -8.713 3.894 -1.068 1.00 0.00 C ATOM 53 O GLN A 4 -8.821 4.969 -1.657 1.00 0.00 O ATOM 54 CB GLN A 4 -9.617 3.353 1.164 1.00 0.00 C ATOM 55 CG GLN A 4 -9.503 3.414 2.677 1.00 0.00 C ATOM 56 CD GLN A 4 -10.806 3.075 3.374 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.346 1.982 3.209 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.318 4.016 4.157 1.00 0.00 N ATOM 0 H GLN A 4 -8.785 5.743 1.216 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.535 3.178 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.476 3.948 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.818 2.323 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.728 2.723 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.186 4.414 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.836 4.908 4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.194 3.847 4.651 1.00 0.00 H new ATOM 67 N PHE A 5 -8.923 2.723 -1.658 1.00 0.00 N ATOM 68 CA PHE A 5 -9.299 2.632 -3.065 1.00 0.00 C ATOM 69 C PHE A 5 -10.565 1.799 -3.218 1.00 0.00 C ATOM 70 O PHE A 5 -10.682 0.719 -2.637 1.00 0.00 O ATOM 71 CB PHE A 5 -8.167 2.043 -3.905 1.00 0.00 C ATOM 72 CG PHE A 5 -6.977 2.951 -4.028 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.145 4.324 -4.144 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.693 2.432 -4.056 1.00 0.00 C ATOM 75 CE1 PHE A 5 -6.055 5.159 -4.284 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.600 3.264 -4.191 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.781 4.629 -4.307 1.00 0.00 C ATOM 0 H PHE A 5 -8.839 1.823 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.493 3.641 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.850 1.099 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.545 1.816 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.140 4.744 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.546 1.365 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.199 6.225 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.603 2.848 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.926 5.280 -4.416 1.00 0.00 H new ATOM 87 N LYS A 6 -11.524 2.316 -3.983 1.00 0.00 N ATOM 88 CA LYS A 6 -12.791 1.622 -4.184 1.00 0.00 C ATOM 89 C LYS A 6 -13.058 1.321 -5.659 1.00 0.00 C ATOM 90 O LYS A 6 -13.689 0.316 -5.984 1.00 0.00 O ATOM 91 CB LYS A 6 -13.940 2.460 -3.620 1.00 0.00 C ATOM 92 CG LYS A 6 -13.817 2.742 -2.132 1.00 0.00 C ATOM 93 CD LYS A 6 -13.826 1.459 -1.317 1.00 0.00 C ATOM 94 CE LYS A 6 -13.730 1.747 0.172 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.481 2.480 0.517 1.00 0.00 N ATOM 0 H LYS A 6 -11.448 3.208 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.725 0.670 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.985 3.407 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.881 1.942 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.894 3.289 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.640 3.382 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.740 0.902 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.992 0.827 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.593 2.334 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.765 0.809 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.103 2.119 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.777 2.340 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.689 3.495 0.612 1.00 0.00 H new ATOM 109 N THR A 7 -12.599 2.192 -6.553 1.00 0.00 N ATOM 110 CA THR A 7 -12.826 1.990 -7.981 1.00 0.00 C ATOM 111 C THR A 7 -11.524 2.031 -8.768 1.00 0.00 C ATOM 112 O THR A 7 -10.590 2.747 -8.408 1.00 0.00 O ATOM 113 CB THR A 7 -13.789 3.051 -8.517 1.00 0.00 C ATOM 114 OG1 THR A 7 -13.260 4.350 -8.327 1.00 0.00 O ATOM 115 CG2 THR A 7 -15.151 3.008 -7.861 1.00 0.00 C ATOM 0 H THR A 7 -12.074 3.035 -6.319 1.00 0.00 H new ATOM 0 HA THR A 7 -13.265 1.001 -8.108 1.00 0.00 H new ATOM 0 HB THR A 7 -13.907 2.825 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.151 4.522 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.785 3.786 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.607 2.033 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.044 3.174 -6.789 1.00 0.00 H new ATOM 123 N ALA A 8 -11.471 1.261 -9.852 1.00 0.00 N ATOM 124 CA ALA A 8 -10.286 1.219 -10.695 1.00 0.00 C ATOM 125 C ALA A 8 -10.182 2.488 -11.523 1.00 0.00 C ATOM 126 O ALA A 8 -10.847 2.642 -12.546 1.00 0.00 O ATOM 127 CB ALA A 8 -10.300 -0.011 -11.588 1.00 0.00 C ATOM 0 H ALA A 8 -12.234 0.660 -10.164 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.408 1.155 -10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.404 -0.020 -12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.323 -0.909 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.183 0.013 -12.226 1.00 0.00 H new ATOM 133 N SER A 9 -9.344 3.391 -11.041 1.00 0.00 N ATOM 134 CA SER A 9 -9.106 4.687 -11.667 1.00 0.00 C ATOM 135 C SER A 9 -8.495 5.629 -10.640 1.00 0.00 C ATOM 136 O SER A 9 -7.791 6.577 -10.983 1.00 0.00 O ATOM 137 CB SER A 9 -10.408 5.292 -12.208 1.00 0.00 C ATOM 138 OG SER A 9 -10.191 6.599 -12.711 1.00 0.00 O ATOM 0 H SER A 9 -8.800 3.245 -10.191 1.00 0.00 H new ATOM 0 HA SER A 9 -8.425 4.547 -12.506 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.808 4.656 -12.998 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.155 5.323 -11.415 1.00 0.00 H new ATOM 0 HG SER A 9 -11.035 6.963 -13.051 1.00 0.00 H new ATOM 144 N GLU A 10 -8.768 5.342 -9.367 1.00 0.00 N ATOM 145 CA GLU A 10 -8.248 6.138 -8.271 1.00 0.00 C ATOM 146 C GLU A 10 -6.847 5.674 -7.900 1.00 0.00 C ATOM 147 O GLU A 10 -5.999 6.468 -7.491 1.00 0.00 O ATOM 148 CB GLU A 10 -9.178 6.046 -7.059 1.00 0.00 C ATOM 149 CG GLU A 10 -10.563 6.621 -7.311 1.00 0.00 C ATOM 150 CD GLU A 10 -11.466 6.517 -6.098 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.114 7.090 -5.045 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.525 5.863 -6.200 1.00 0.00 O ATOM 0 H GLU A 10 -9.351 4.557 -9.075 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.196 7.179 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.275 5.001 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.722 6.572 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.471 7.667 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.023 6.097 -8.148 1.00 0.00 H new ATOM 159 N PHE A 11 -6.618 4.379 -8.059 1.00 0.00 N ATOM 160 CA PHE A 11 -5.330 3.782 -7.757 1.00 0.00 C ATOM 161 C PHE A 11 -4.434 3.796 -8.993 1.00 0.00 C ATOM 162 O PHE A 11 -3.249 4.120 -8.915 1.00 0.00 O ATOM 163 CB PHE A 11 -5.519 2.345 -7.259 1.00 0.00 C ATOM 164 CG PHE A 11 -4.271 1.704 -6.704 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.079 2.411 -6.616 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.298 0.390 -6.262 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.943 1.819 -6.103 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.163 -0.205 -5.747 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.985 0.510 -5.668 1.00 0.00 C ATOM 0 H PHE A 11 -7.316 3.718 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.850 4.367 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.288 2.340 -6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.890 1.735 -8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.041 3.436 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.217 -0.174 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.022 2.380 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.197 -1.229 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.097 0.045 -5.266 1.00 0.00 H new ATOM 179 N ASP A 12 -5.016 3.450 -10.139 1.00 0.00 N ATOM 180 CA ASP A 12 -4.281 3.424 -11.401 1.00 0.00 C ATOM 181 C ASP A 12 -3.462 4.699 -11.587 1.00 0.00 C ATOM 182 O ASP A 12 -2.342 4.663 -12.098 1.00 0.00 O ATOM 183 CB ASP A 12 -5.249 3.250 -12.573 1.00 0.00 C ATOM 184 CG ASP A 12 -4.537 3.164 -13.911 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.290 3.243 -13.925 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.226 3.021 -14.942 1.00 0.00 O ATOM 0 H ASP A 12 -5.997 3.183 -10.219 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.595 2.578 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.839 2.346 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.947 4.087 -12.590 1.00 0.00 H new ATOM 191 N SER A 13 -4.030 5.827 -11.168 1.00 0.00 N ATOM 192 CA SER A 13 -3.355 7.111 -11.287 1.00 0.00 C ATOM 193 C SER A 13 -2.249 7.241 -10.245 1.00 0.00 C ATOM 194 O SER A 13 -1.235 7.902 -10.479 1.00 0.00 O ATOM 195 CB SER A 13 -4.358 8.256 -11.128 1.00 0.00 C ATOM 196 OG SER A 13 -5.366 8.192 -12.121 1.00 0.00 O ATOM 0 H SER A 13 -4.956 5.875 -10.743 1.00 0.00 H new ATOM 0 HA SER A 13 -2.906 7.167 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.814 8.210 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.838 9.211 -11.195 1.00 0.00 H new ATOM 0 HG SER A 13 -6.138 7.700 -11.772 1.00 0.00 H new ATOM 202 N ALA A 14 -2.450 6.605 -9.095 1.00 0.00 N ATOM 203 CA ALA A 14 -1.470 6.648 -8.017 1.00 0.00 C ATOM 204 C ALA A 14 -0.135 6.062 -8.466 1.00 0.00 C ATOM 205 O ALA A 14 0.928 6.523 -8.052 1.00 0.00 O ATOM 206 CB ALA A 14 -1.996 5.901 -6.799 1.00 0.00 C ATOM 0 H ALA A 14 -3.283 6.054 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.305 7.691 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.255 5.940 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.921 6.366 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.189 4.862 -7.065 1.00 0.00 H new ATOM 212 N ILE A 15 -0.199 5.043 -9.317 1.00 0.00 N ATOM 213 CA ILE A 15 1.005 4.396 -9.824 1.00 0.00 C ATOM 214 C ILE A 15 1.492 5.055 -11.106 1.00 0.00 C ATOM 215 O ILE A 15 2.669 5.385 -11.227 1.00 0.00 O ATOM 216 CB ILE A 15 0.783 2.885 -10.065 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.349 2.646 -11.069 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.486 2.185 -8.746 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.672 1.180 -11.277 1.00 0.00 C ATOM 0 H ILE A 15 -1.071 4.648 -9.669 1.00 0.00 H new ATOM 0 HA ILE A 15 1.770 4.514 -9.057 1.00 0.00 H new ATOM 0 HB ILE A 15 1.696 2.467 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.245 3.162 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.075 3.089 -12.026 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.331 1.121 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.327 2.319 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.413 2.613 -8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.482 1.085 -12.000 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.211 0.662 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.978 0.737 -10.329 1.00 0.00 H new ATOM 231 N ALA A 16 0.589 5.242 -12.063 1.00 0.00 N ATOM 232 CA ALA A 16 0.940 5.852 -13.344 1.00 0.00 C ATOM 233 C ALA A 16 1.845 7.069 -13.175 1.00 0.00 C ATOM 234 O ALA A 16 1.374 8.182 -12.943 1.00 0.00 O ATOM 235 CB ALA A 16 -0.319 6.233 -14.108 1.00 0.00 C ATOM 0 H ALA A 16 -0.393 4.980 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 16 1.499 5.110 -13.915 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.044 6.686 -15.060 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.918 5.341 -14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.899 6.945 -13.521 1.00 0.00 H new ATOM 241 N GLN A 17 3.153 6.844 -13.305 1.00 0.00 N ATOM 242 CA GLN A 17 4.140 7.912 -13.181 1.00 0.00 C ATOM 243 C GLN A 17 3.846 8.796 -11.975 1.00 0.00 C ATOM 244 O GLN A 17 3.223 9.849 -12.105 1.00 0.00 O ATOM 245 CB GLN A 17 4.156 8.749 -14.457 1.00 0.00 C ATOM 246 CG GLN A 17 4.585 7.960 -15.679 1.00 0.00 C ATOM 247 CD GLN A 17 6.076 7.686 -15.707 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.889 8.611 -15.682 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.442 6.412 -15.762 1.00 0.00 N ATOM 0 H GLN A 17 3.553 5.926 -13.497 1.00 0.00 H new ATOM 0 HA GLN A 17 5.120 7.459 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.161 9.160 -14.628 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.831 9.594 -14.322 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.046 7.013 -15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.304 8.509 -16.578 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.734 5.678 -15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.432 6.166 -15.785 1.00 0.00 H new ATOM 258 N ASP A 18 4.291 8.359 -10.801 1.00 0.00 N ATOM 259 CA ASP A 18 4.060 9.118 -9.584 1.00 0.00 C ATOM 260 C ASP A 18 4.959 8.641 -8.445 1.00 0.00 C ATOM 261 O ASP A 18 4.516 8.527 -7.302 1.00 0.00 O ATOM 262 CB ASP A 18 2.588 9.017 -9.176 1.00 0.00 C ATOM 263 CG ASP A 18 2.261 9.853 -7.955 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.469 11.083 -8.003 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.795 9.277 -6.950 1.00 0.00 O ATOM 0 H ASP A 18 4.809 7.490 -10.670 1.00 0.00 H new ATOM 0 HA ASP A 18 4.308 10.160 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.962 9.337 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.342 7.975 -8.974 1.00 0.00 H new ATOM 270 N LYS A 19 6.228 8.377 -8.757 1.00 0.00 N ATOM 271 CA LYS A 19 7.181 7.934 -7.750 1.00 0.00 C ATOM 272 C LYS A 19 6.784 6.568 -7.197 1.00 0.00 C ATOM 273 O LYS A 19 6.073 5.808 -7.852 1.00 0.00 O ATOM 274 CB LYS A 19 7.263 8.981 -6.634 1.00 0.00 C ATOM 275 CG LYS A 19 7.765 10.343 -7.095 1.00 0.00 C ATOM 276 CD LYS A 19 6.751 11.057 -7.977 1.00 0.00 C ATOM 277 CE LYS A 19 7.192 12.477 -8.291 1.00 0.00 C ATOM 278 NZ LYS A 19 8.495 12.510 -9.012 1.00 0.00 N ATOM 0 H LYS A 19 6.615 8.463 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 19 8.165 7.828 -8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.275 9.101 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.922 8.609 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.987 10.961 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.698 10.218 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.619 10.502 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.782 11.077 -7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.430 12.968 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.276 13.044 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.702 13.484 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.250 12.174 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.444 11.894 -9.849 1.00 0.00 H new ATOM 292 N LEU A 20 7.253 6.258 -5.997 1.00 0.00 N ATOM 293 CA LEU A 20 6.954 4.982 -5.369 1.00 0.00 C ATOM 294 C LEU A 20 5.806 5.121 -4.379 1.00 0.00 C ATOM 295 O LEU A 20 5.908 5.840 -3.385 1.00 0.00 O ATOM 296 CB LEU A 20 8.188 4.448 -4.640 1.00 0.00 C ATOM 297 CG LEU A 20 7.977 3.124 -3.905 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.592 2.023 -4.883 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.226 2.740 -3.128 1.00 0.00 C ATOM 0 H LEU A 20 7.843 6.875 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 20 6.663 4.283 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.993 4.321 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.520 5.197 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 20 7.159 3.251 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.446 1.089 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.667 2.295 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.386 1.895 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.057 1.795 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.064 2.632 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.454 3.517 -2.398 1.00 0.00 H new ATOM 311 N VAL A 21 4.715 4.424 -4.663 1.00 0.00 N ATOM 312 CA VAL A 21 3.541 4.457 -3.805 1.00 0.00 C ATOM 313 C VAL A 21 3.302 3.094 -3.164 1.00 0.00 C ATOM 314 O VAL A 21 3.176 2.085 -3.858 1.00 0.00 O ATOM 315 CB VAL A 21 2.282 4.876 -4.590 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.080 4.985 -3.663 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.522 6.188 -5.321 1.00 0.00 C ATOM 0 H VAL A 21 4.619 3.827 -5.484 1.00 0.00 H new ATOM 0 HA VAL A 21 3.732 5.196 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 21 2.067 4.106 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.203 5.282 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.895 4.020 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.280 5.732 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.623 6.468 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.765 6.968 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.351 6.069 -6.019 1.00 0.00 H new ATOM 327 N VAL A 22 3.241 3.071 -1.838 1.00 0.00 N ATOM 328 CA VAL A 22 3.016 1.832 -1.107 1.00 0.00 C ATOM 329 C VAL A 22 1.559 1.707 -0.684 1.00 0.00 C ATOM 330 O VAL A 22 1.080 2.461 0.162 1.00 0.00 O ATOM 331 CB VAL A 22 3.916 1.746 0.142 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.703 0.429 0.873 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.376 1.919 -0.244 1.00 0.00 C ATOM 0 H VAL A 22 3.344 3.897 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 22 3.268 1.013 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 22 3.641 2.554 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.349 0.391 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.662 0.350 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.946 -0.400 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.998 1.856 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.663 1.133 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.515 2.892 -0.715 1.00 0.00 H new ATOM 343 N VAL A 23 0.857 0.754 -1.285 1.00 0.00 N ATOM 344 CA VAL A 23 -0.548 0.534 -0.978 1.00 0.00 C ATOM 345 C VAL A 23 -0.747 -0.767 -0.210 1.00 0.00 C ATOM 346 O VAL A 23 -0.138 -1.788 -0.527 1.00 0.00 O ATOM 347 CB VAL A 23 -1.402 0.502 -2.260 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.880 0.382 -1.921 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.136 1.742 -3.098 1.00 0.00 C ATOM 0 H VAL A 23 1.239 0.122 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.872 1.368 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.121 -0.375 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.464 0.361 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.051 -0.538 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.185 1.236 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.745 1.708 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.390 2.632 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.082 1.776 -3.372 1.00 0.00 H new ATOM 359 N ASP A 24 -1.604 -0.720 0.803 1.00 0.00 N ATOM 360 CA ASP A 24 -1.889 -1.889 1.621 1.00 0.00 C ATOM 361 C ASP A 24 -3.197 -2.546 1.191 1.00 0.00 C ATOM 362 O ASP A 24 -4.228 -1.884 1.083 1.00 0.00 O ATOM 363 CB ASP A 24 -1.960 -1.492 3.099 1.00 0.00 C ATOM 364 CG ASP A 24 -2.297 -2.660 4.011 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.515 -3.776 3.495 1.00 0.00 O ATOM 366 OD2 ASP A 24 -2.348 -2.454 5.241 1.00 0.00 O ATOM 0 H ASP A 24 -2.115 0.119 1.077 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.082 -2.609 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.003 -1.066 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.711 -0.712 3.224 1.00 0.00 H new ATOM 371 N PHE A 25 -3.149 -3.853 0.957 1.00 0.00 N ATOM 372 CA PHE A 25 -4.318 -4.602 0.550 1.00 0.00 C ATOM 373 C PHE A 25 -4.927 -5.318 1.749 1.00 0.00 C ATOM 374 O PHE A 25 -5.225 -6.510 1.692 1.00 0.00 O ATOM 375 CB PHE A 25 -3.922 -5.618 -0.517 1.00 0.00 C ATOM 376 CG PHE A 25 -3.688 -5.034 -1.879 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.750 -4.035 -2.089 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.394 -5.521 -2.961 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.526 -3.533 -3.357 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.180 -5.023 -4.228 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.243 -4.028 -4.429 1.00 0.00 C ATOM 0 H PHE A 25 -2.302 -4.414 1.045 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.059 -3.916 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.015 -6.129 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.705 -6.373 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.188 -3.645 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.124 -6.303 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.792 -2.755 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.744 -5.410 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.071 -3.638 -5.421 1.00 0.00 H new ATOM 391 N TYR A 26 -5.103 -4.574 2.838 1.00 0.00 N ATOM 392 CA TYR A 26 -5.673 -5.127 4.063 1.00 0.00 C ATOM 393 C TYR A 26 -6.953 -5.909 3.774 1.00 0.00 C ATOM 394 O TYR A 26 -7.832 -5.437 3.059 1.00 0.00 O ATOM 395 CB TYR A 26 -5.941 -4.003 5.074 1.00 0.00 C ATOM 396 CG TYR A 26 -6.620 -2.778 4.485 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.848 -2.874 3.841 1.00 0.00 C ATOM 398 CD2 TYR A 26 -6.028 -1.522 4.574 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.464 -1.760 3.307 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.638 -0.408 4.047 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.857 -0.529 3.415 1.00 0.00 C ATOM 402 OH TYR A 26 -8.467 0.581 2.884 1.00 0.00 O ATOM 0 H TYR A 26 -4.859 -3.585 2.897 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.951 -5.822 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.562 -4.396 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.994 -3.699 5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.329 -3.837 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.072 -1.420 5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.417 -1.854 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.163 0.559 4.128 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.312 0.745 3.352 1.00 0.00 H new ATOM 412 N ALA A 27 -7.050 -7.113 4.325 1.00 0.00 N ATOM 413 CA ALA A 27 -8.225 -7.947 4.113 1.00 0.00 C ATOM 414 C ALA A 27 -9.476 -7.258 4.638 1.00 0.00 C ATOM 415 O ALA A 27 -9.429 -6.543 5.639 1.00 0.00 O ATOM 416 CB ALA A 27 -8.050 -9.303 4.775 1.00 0.00 C ATOM 0 H ALA A 27 -6.333 -7.531 4.918 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.341 -8.101 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.940 -9.909 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.181 -9.806 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.903 -9.168 5.847 1.00 0.00 H new ATOM 422 N THR A 28 -10.592 -7.471 3.955 1.00 0.00 N ATOM 423 CA THR A 28 -11.852 -6.862 4.355 1.00 0.00 C ATOM 424 C THR A 28 -12.414 -7.520 5.614 1.00 0.00 C ATOM 425 O THR A 28 -13.237 -6.934 6.317 1.00 0.00 O ATOM 426 CB THR A 28 -12.876 -6.962 3.226 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.108 -6.388 3.623 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.152 -8.386 2.792 1.00 0.00 C ATOM 0 H THR A 28 -10.650 -8.059 3.124 1.00 0.00 H new ATOM 0 HA THR A 28 -11.654 -5.813 4.573 1.00 0.00 H new ATOM 0 HB THR A 28 -12.438 -6.423 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.110 -6.256 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.888 -8.385 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.228 -8.844 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.539 -8.955 3.637 1.00 0.00 H new ATOM 436 N TRP A 29 -11.973 -8.744 5.888 1.00 0.00 N ATOM 437 CA TRP A 29 -12.441 -9.488 7.054 1.00 0.00 C ATOM 438 C TRP A 29 -11.491 -9.339 8.241 1.00 0.00 C ATOM 439 O TRP A 29 -11.933 -9.236 9.385 1.00 0.00 O ATOM 440 CB TRP A 29 -12.601 -10.969 6.709 1.00 0.00 C ATOM 441 CG TRP A 29 -11.407 -11.544 6.011 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.134 -11.492 4.674 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.308 -12.229 6.619 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.942 -12.121 4.411 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.414 -12.580 5.589 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.996 -12.588 7.933 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.230 -13.268 5.834 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.819 -13.269 8.175 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.948 -13.602 7.130 1.00 0.00 C ATOM 0 H TRP A 29 -11.291 -9.243 5.317 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.407 -9.071 7.339 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.784 -11.531 7.625 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.480 -11.095 6.076 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.764 -11.024 3.932 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.519 -12.229 3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.663 -12.337 8.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.558 -13.529 5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.566 -13.549 9.187 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.035 -14.134 7.352 1.00 0.00 H new ATOM 460 N CYS A 30 -10.189 -9.344 7.964 1.00 0.00 N ATOM 461 CA CYS A 30 -9.173 -9.224 9.012 1.00 0.00 C ATOM 462 C CYS A 30 -9.565 -8.188 10.063 1.00 0.00 C ATOM 463 O CYS A 30 -10.092 -7.125 9.737 1.00 0.00 O ATOM 464 CB CYS A 30 -7.822 -8.853 8.401 1.00 0.00 C ATOM 465 SG CYS A 30 -6.474 -8.745 9.602 1.00 0.00 S ATOM 0 H CYS A 30 -9.810 -9.430 7.021 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.096 -10.193 9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.562 -9.593 7.644 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.917 -7.895 7.890 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.372 -8.428 8.990 1.00 0.00 H new ATOM 471 N GLY A 31 -9.302 -8.510 11.327 1.00 0.00 N ATOM 472 CA GLY A 31 -9.633 -7.604 12.410 1.00 0.00 C ATOM 473 C GLY A 31 -8.526 -6.606 12.701 1.00 0.00 C ATOM 474 O GLY A 31 -8.750 -5.397 12.641 1.00 0.00 O ATOM 0 H GLY A 31 -8.865 -9.384 11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.546 -7.064 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.841 -8.182 13.310 1.00 0.00 H new ATOM 478 N PRO A 32 -7.312 -7.083 13.028 1.00 0.00 N ATOM 479 CA PRO A 32 -6.175 -6.208 13.336 1.00 0.00 C ATOM 480 C PRO A 32 -5.513 -5.637 12.084 1.00 0.00 C ATOM 481 O PRO A 32 -4.299 -5.743 11.909 1.00 0.00 O ATOM 482 CB PRO A 32 -5.217 -7.141 14.071 1.00 0.00 C ATOM 483 CG PRO A 32 -5.487 -8.488 13.493 1.00 0.00 C ATOM 484 CD PRO A 32 -6.952 -8.511 13.134 1.00 0.00 C ATOM 0 HA PRO A 32 -6.476 -5.333 13.912 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.179 -6.845 13.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.397 -7.127 15.146 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.869 -8.664 12.613 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.251 -9.273 14.211 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.126 -9.038 12.196 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.543 -9.017 13.898 1.00 0.00 H new ATOM 492 N CYS A 33 -6.316 -5.028 11.219 1.00 0.00 N ATOM 493 CA CYS A 33 -5.808 -4.436 9.985 1.00 0.00 C ATOM 494 C CYS A 33 -6.246 -2.975 9.845 1.00 0.00 C ATOM 495 O CYS A 33 -5.730 -2.245 8.998 1.00 0.00 O ATOM 496 CB CYS A 33 -6.294 -5.236 8.777 1.00 0.00 C ATOM 497 SG CYS A 33 -8.093 -5.310 8.618 1.00 0.00 S ATOM 0 H CYS A 33 -7.323 -4.931 11.349 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.719 -4.464 10.027 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.878 -4.795 7.871 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.904 -6.251 8.846 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.582 -6.055 9.564 1.00 0.00 H new ATOM 503 N LYS A 34 -7.204 -2.553 10.673 1.00 0.00 N ATOM 504 CA LYS A 34 -7.709 -1.181 10.625 1.00 0.00 C ATOM 505 C LYS A 34 -6.753 -0.216 11.316 1.00 0.00 C ATOM 506 O LYS A 34 -6.718 0.972 10.996 1.00 0.00 O ATOM 507 CB LYS A 34 -9.093 -1.101 11.273 1.00 0.00 C ATOM 508 CG LYS A 34 -9.697 0.293 11.249 1.00 0.00 C ATOM 509 CD LYS A 34 -11.072 0.320 11.897 1.00 0.00 C ATOM 510 CE LYS A 34 -11.011 -0.109 13.355 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.350 -0.069 14.002 1.00 0.00 N ATOM 0 H LYS A 34 -7.644 -3.140 11.382 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.787 -0.890 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.766 -1.788 10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.021 -1.439 12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.035 0.985 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.773 0.639 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.487 1.326 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.746 -0.340 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.607 -1.119 13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.326 0.543 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.265 -0.368 14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.725 0.900 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.997 -0.711 13.501 1.00 0.00 H new ATOM 525 N MET A 35 -5.964 -0.731 12.256 1.00 0.00 N ATOM 526 CA MET A 35 -4.997 0.092 12.976 1.00 0.00 C ATOM 527 C MET A 35 -3.804 0.436 12.083 1.00 0.00 C ATOM 528 O MET A 35 -2.841 1.061 12.529 1.00 0.00 O ATOM 529 CB MET A 35 -4.512 -0.639 14.226 1.00 0.00 C ATOM 530 CG MET A 35 -5.618 -0.940 15.225 1.00 0.00 C ATOM 531 SD MET A 35 -5.013 -1.786 16.698 1.00 0.00 S ATOM 532 CE MET A 35 -6.531 -1.963 17.633 1.00 0.00 C ATOM 0 H MET A 35 -5.975 -1.712 12.536 1.00 0.00 H new ATOM 0 HA MET A 35 -5.490 1.019 13.269 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.039 -1.575 13.928 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.747 -0.036 14.715 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.100 -0.008 15.519 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.379 -1.555 14.744 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.321 -2.470 18.575 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.950 -0.978 17.837 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.247 -2.549 17.057 1.00 0.00 H new ATOM 542 N ILE A 36 -3.874 0.018 10.824 1.00 0.00 N ATOM 543 CA ILE A 36 -2.816 0.261 9.855 1.00 0.00 C ATOM 544 C ILE A 36 -2.868 1.682 9.298 1.00 0.00 C ATOM 545 O ILE A 36 -1.834 2.312 9.076 1.00 0.00 O ATOM 546 CB ILE A 36 -2.934 -0.725 8.687 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.958 -2.163 9.202 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.792 -0.524 7.713 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.249 -3.175 8.120 1.00 0.00 C ATOM 0 H ILE A 36 -4.668 -0.500 10.448 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.868 0.125 10.376 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.871 -0.535 8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.996 -2.395 9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.712 -2.250 9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.888 -1.231 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.821 0.494 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.844 -0.690 8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.252 -4.177 8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.224 -2.966 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.481 -3.114 7.349 1.00 0.00 H new ATOM 561 N ALA A 37 -4.081 2.176 9.066 1.00 0.00 N ATOM 562 CA ALA A 37 -4.285 3.518 8.523 1.00 0.00 C ATOM 563 C ALA A 37 -3.364 4.560 9.168 1.00 0.00 C ATOM 564 O ALA A 37 -2.770 5.375 8.465 1.00 0.00 O ATOM 565 CB ALA A 37 -5.740 3.931 8.685 1.00 0.00 C ATOM 0 H ALA A 37 -4.944 1.664 9.247 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.030 3.479 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.882 4.932 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.379 3.228 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.003 3.929 9.743 1.00 0.00 H new ATOM 571 N PRO A 38 -3.227 4.557 10.508 1.00 0.00 N ATOM 572 CA PRO A 38 -2.369 5.522 11.192 1.00 0.00 C ATOM 573 C PRO A 38 -0.902 5.309 10.852 1.00 0.00 C ATOM 574 O PRO A 38 -0.178 6.265 10.575 1.00 0.00 O ATOM 575 CB PRO A 38 -2.632 5.279 12.680 1.00 0.00 C ATOM 576 CG PRO A 38 -3.217 3.910 12.767 1.00 0.00 C ATOM 577 CD PRO A 38 -3.886 3.632 11.446 1.00 0.00 C ATOM 0 HA PRO A 38 -2.589 6.547 10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.710 5.348 13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.317 6.024 13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.441 3.171 12.969 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.936 3.849 13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.752 2.594 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.960 3.814 11.497 1.00 0.00 H new ATOM 585 N MET A 39 -0.470 4.052 10.841 1.00 0.00 N ATOM 586 CA MET A 39 0.898 3.729 10.500 1.00 0.00 C ATOM 587 C MET A 39 1.190 4.161 9.075 1.00 0.00 C ATOM 588 O MET A 39 2.058 4.998 8.838 1.00 0.00 O ATOM 589 CB MET A 39 1.131 2.234 10.664 1.00 0.00 C ATOM 590 CG MET A 39 1.474 1.831 12.085 1.00 0.00 C ATOM 591 SD MET A 39 3.065 2.484 12.629 1.00 0.00 S ATOM 592 CE MET A 39 3.144 1.836 14.297 1.00 0.00 C ATOM 0 H MET A 39 -1.053 3.245 11.065 1.00 0.00 H new ATOM 0 HA MET A 39 1.573 4.262 11.170 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.236 1.697 10.348 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.939 1.925 10.001 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.692 2.184 12.757 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.489 0.743 12.156 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.074 2.155 14.767 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.299 2.211 14.874 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.107 0.747 14.266 1.00 0.00 H new ATOM 602 N ILE A 40 0.438 3.607 8.126 1.00 0.00 N ATOM 603 CA ILE A 40 0.601 3.955 6.717 1.00 0.00 C ATOM 604 C ILE A 40 0.771 5.466 6.548 1.00 0.00 C ATOM 605 O ILE A 40 1.432 5.930 5.619 1.00 0.00 O ATOM 606 CB ILE A 40 -0.605 3.472 5.876 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.698 1.945 5.905 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.496 3.971 4.442 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.796 1.384 5.021 1.00 0.00 C ATOM 0 H ILE A 40 -0.290 2.916 8.308 1.00 0.00 H new ATOM 0 HA ILE A 40 1.499 3.451 6.359 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.515 3.884 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.258 1.526 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.868 1.620 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.354 3.620 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.477 5.061 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.421 3.590 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.801 0.296 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.760 1.774 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.617 1.678 3.987 1.00 0.00 H new ATOM 621 N GLU A 41 0.175 6.223 7.465 1.00 0.00 N ATOM 622 CA GLU A 41 0.261 7.676 7.441 1.00 0.00 C ATOM 623 C GLU A 41 1.586 8.150 8.035 1.00 0.00 C ATOM 624 O GLU A 41 2.233 9.047 7.500 1.00 0.00 O ATOM 625 CB GLU A 41 -0.903 8.278 8.223 1.00 0.00 C ATOM 626 CG GLU A 41 -0.896 9.797 8.260 1.00 0.00 C ATOM 627 CD GLU A 41 -2.067 10.366 9.039 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.185 10.056 10.243 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.863 11.123 8.445 1.00 0.00 O ATOM 0 H GLU A 41 -0.376 5.849 8.238 1.00 0.00 H new ATOM 0 HA GLU A 41 0.209 8.007 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.840 7.939 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.877 7.899 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.036 10.142 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.921 10.182 7.241 1.00 0.00 H new ATOM 636 N LYS A 42 1.981 7.541 9.148 1.00 0.00 N ATOM 637 CA LYS A 42 3.228 7.904 9.814 1.00 0.00 C ATOM 638 C LYS A 42 4.425 7.699 8.892 1.00 0.00 C ATOM 639 O LYS A 42 5.430 8.401 9.001 1.00 0.00 O ATOM 640 CB LYS A 42 3.411 7.082 11.092 1.00 0.00 C ATOM 641 CG LYS A 42 2.375 7.380 12.163 1.00 0.00 C ATOM 642 CD LYS A 42 2.580 6.513 13.395 1.00 0.00 C ATOM 643 CE LYS A 42 3.945 6.746 14.022 1.00 0.00 C ATOM 644 NZ LYS A 42 4.151 5.907 15.234 1.00 0.00 N ATOM 0 H LYS A 42 1.458 6.796 9.607 1.00 0.00 H new ATOM 0 HA LYS A 42 3.170 8.961 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.367 6.022 10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.405 7.273 11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.433 8.432 12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.376 7.212 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.801 6.729 14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.479 5.463 13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.723 6.524 13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.047 7.798 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.093 6.096 15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.425 6.136 15.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.079 4.902 14.977 1.00 0.00 H new ATOM 658 N PHE A 43 4.317 6.733 7.984 1.00 0.00 N ATOM 659 CA PHE A 43 5.401 6.445 7.051 1.00 0.00 C ATOM 660 C PHE A 43 5.470 7.484 5.938 1.00 0.00 C ATOM 661 O PHE A 43 6.519 7.672 5.321 1.00 0.00 O ATOM 662 CB PHE A 43 5.252 5.045 6.454 1.00 0.00 C ATOM 663 CG PHE A 43 5.522 3.938 7.436 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.688 3.734 8.525 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.615 3.104 7.267 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.941 2.716 9.425 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.873 2.085 8.164 1.00 0.00 C ATOM 668 CZ PHE A 43 6.034 1.892 9.244 1.00 0.00 C ATOM 0 H PHE A 43 3.495 6.140 7.875 1.00 0.00 H new ATOM 0 HA PHE A 43 6.333 6.488 7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.241 4.932 6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.935 4.945 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.833 4.377 8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.274 3.252 6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.284 2.565 10.269 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.728 1.441 8.021 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.233 1.097 9.947 1.00 0.00 H new ATOM 678 N SER A 44 4.358 8.163 5.690 1.00 0.00 N ATOM 679 CA SER A 44 4.317 9.188 4.653 1.00 0.00 C ATOM 680 C SER A 44 4.983 10.476 5.139 1.00 0.00 C ATOM 681 O SER A 44 5.125 11.436 4.380 1.00 0.00 O ATOM 682 CB SER A 44 2.873 9.473 4.232 1.00 0.00 C ATOM 683 OG SER A 44 2.125 10.021 5.302 1.00 0.00 O ATOM 0 H SER A 44 3.478 8.025 6.188 1.00 0.00 H new ATOM 0 HA SER A 44 4.867 8.815 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.867 10.164 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.402 8.551 3.891 1.00 0.00 H new ATOM 0 HG SER A 44 2.590 9.850 6.148 1.00 0.00 H new ATOM 689 N GLU A 45 5.400 10.490 6.405 1.00 0.00 N ATOM 690 CA GLU A 45 6.057 11.655 6.983 1.00 0.00 C ATOM 691 C GLU A 45 7.568 11.575 6.787 1.00 0.00 C ATOM 692 O GLU A 45 8.249 12.597 6.706 1.00 0.00 O ATOM 693 CB GLU A 45 5.728 11.766 8.473 1.00 0.00 C ATOM 694 CG GLU A 45 4.243 11.908 8.761 1.00 0.00 C ATOM 695 CD GLU A 45 3.943 12.013 10.244 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.442 12.961 10.884 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.212 11.144 10.764 1.00 0.00 O ATOM 0 H GLU A 45 5.293 9.705 7.048 1.00 0.00 H new ATOM 0 HA GLU A 45 5.687 12.544 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.106 10.882 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.254 12.625 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.862 12.794 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.713 11.050 8.347 1.00 0.00 H new ATOM 704 N GLN A 46 8.082 10.351 6.709 1.00 0.00 N ATOM 705 CA GLN A 46 9.511 10.129 6.518 1.00 0.00 C ATOM 706 C GLN A 46 9.868 10.050 5.037 1.00 0.00 C ATOM 707 O GLN A 46 10.985 10.378 4.640 1.00 0.00 O ATOM 708 CB GLN A 46 9.944 8.851 7.233 1.00 0.00 C ATOM 709 CG GLN A 46 9.789 8.931 8.739 1.00 0.00 C ATOM 710 CD GLN A 46 10.224 7.660 9.443 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.379 7.247 9.341 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.299 7.033 10.160 1.00 0.00 N ATOM 0 H GLN A 46 7.529 9.497 6.775 1.00 0.00 H new ATOM 0 HA GLN A 46 10.044 10.978 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.355 8.014 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.986 8.642 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.376 9.769 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.747 9.137 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.354 7.412 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.534 6.172 10.655 1.00 0.00 H new ATOM 721 N TYR A 47 8.912 9.611 4.224 1.00 0.00 N ATOM 722 CA TYR A 47 9.130 9.492 2.786 1.00 0.00 C ATOM 723 C TYR A 47 8.085 10.288 2.002 1.00 0.00 C ATOM 724 O TYR A 47 7.517 9.791 1.031 1.00 0.00 O ATOM 725 CB TYR A 47 9.079 8.022 2.380 1.00 0.00 C ATOM 726 CG TYR A 47 10.074 7.159 3.119 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.436 7.253 2.860 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.648 6.253 4.077 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.344 6.461 3.535 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.551 5.456 4.758 1.00 0.00 C ATOM 731 CZ TYR A 47 11.898 5.565 4.482 1.00 0.00 C ATOM 732 OH TYR A 47 12.801 4.775 5.158 1.00 0.00 O ATOM 0 H TYR A 47 7.981 9.332 4.535 1.00 0.00 H new ATOM 0 HA TYR A 47 10.112 9.902 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.074 7.639 2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.265 7.942 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.790 7.956 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.594 6.168 4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.399 6.544 3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.203 4.753 5.501 1.00 0.00 H new ATOM 0 HH TYR A 47 12.583 3.831 5.012 1.00 0.00 H new ATOM 742 N PRO A 48 7.813 11.539 2.423 1.00 0.00 N ATOM 743 CA PRO A 48 6.830 12.412 1.775 1.00 0.00 C ATOM 744 C PRO A 48 6.806 12.280 0.256 1.00 0.00 C ATOM 745 O PRO A 48 5.758 12.428 -0.374 1.00 0.00 O ATOM 746 CB PRO A 48 7.302 13.802 2.184 1.00 0.00 C ATOM 747 CG PRO A 48 7.906 13.614 3.535 1.00 0.00 C ATOM 748 CD PRO A 48 8.434 12.200 3.587 1.00 0.00 C ATOM 0 HA PRO A 48 5.811 12.169 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.030 14.197 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.473 14.509 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.709 14.332 3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.164 13.778 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.522 12.179 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.159 11.706 4.519 1.00 0.00 H new ATOM 756 N GLN A 49 7.960 12.000 -0.324 1.00 0.00 N ATOM 757 CA GLN A 49 8.071 11.848 -1.771 1.00 0.00 C ATOM 758 C GLN A 49 7.191 10.704 -2.261 1.00 0.00 C ATOM 759 O GLN A 49 6.572 10.791 -3.321 1.00 0.00 O ATOM 760 CB GLN A 49 9.524 11.594 -2.176 1.00 0.00 C ATOM 761 CG GLN A 49 10.470 12.722 -1.787 1.00 0.00 C ATOM 762 CD GLN A 49 11.918 12.469 -2.186 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.789 13.301 -1.933 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.193 11.325 -2.811 1.00 0.00 N ATOM 0 H GLN A 49 8.836 11.872 0.182 1.00 0.00 H new ATOM 0 HA GLN A 49 7.733 12.775 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.865 10.668 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.572 11.447 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.130 13.647 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.420 12.871 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.446 10.658 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.150 11.117 -3.096 1.00 0.00 H new ATOM 773 N ALA A 50 7.139 9.633 -1.478 1.00 0.00 N ATOM 774 CA ALA A 50 6.335 8.469 -1.823 1.00 0.00 C ATOM 775 C ALA A 50 4.925 8.594 -1.259 1.00 0.00 C ATOM 776 O ALA A 50 4.737 9.031 -0.123 1.00 0.00 O ATOM 777 CB ALA A 50 7.001 7.201 -1.310 1.00 0.00 C ATOM 0 H ALA A 50 7.646 9.548 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 50 6.261 8.414 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.391 6.337 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.988 7.100 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.102 7.256 -0.226 1.00 0.00 H new ATOM 783 N ASP A 51 3.936 8.205 -2.056 1.00 0.00 N ATOM 784 CA ASP A 51 2.542 8.272 -1.631 1.00 0.00 C ATOM 785 C ASP A 51 2.120 6.969 -0.965 1.00 0.00 C ATOM 786 O ASP A 51 2.477 5.884 -1.419 1.00 0.00 O ATOM 787 CB ASP A 51 1.635 8.574 -2.824 1.00 0.00 C ATOM 788 CG ASP A 51 1.935 9.922 -3.449 1.00 0.00 C ATOM 789 OD1 ASP A 51 1.801 10.945 -2.744 1.00 0.00 O ATOM 790 OD2 ASP A 51 2.306 9.956 -4.640 1.00 0.00 O ATOM 0 H ASP A 51 4.073 7.840 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 51 2.444 9.078 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.755 7.793 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.594 8.549 -2.501 1.00 0.00 H new ATOM 795 N PHE A 52 1.363 7.080 0.120 1.00 0.00 N ATOM 796 CA PHE A 52 0.905 5.903 0.848 1.00 0.00 C ATOM 797 C PHE A 52 -0.612 5.759 0.781 1.00 0.00 C ATOM 798 O PHE A 52 -1.340 6.392 1.544 1.00 0.00 O ATOM 799 CB PHE A 52 1.358 5.976 2.308 1.00 0.00 C ATOM 800 CG PHE A 52 2.851 5.974 2.476 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.626 6.981 1.923 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.480 4.962 3.184 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.000 6.981 2.075 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.853 4.957 3.340 1.00 0.00 C ATOM 805 CZ PHE A 52 5.614 5.967 2.785 1.00 0.00 C ATOM 0 H PHE A 52 1.054 7.969 0.514 1.00 0.00 H new ATOM 0 HA PHE A 52 1.348 5.027 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.951 6.880 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.938 5.130 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.151 7.775 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.890 4.168 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.592 7.772 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.331 4.164 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.687 5.964 2.906 1.00 0.00 H new ATOM 815 N TYR A 53 -1.078 4.911 -0.130 1.00 0.00 N ATOM 816 CA TYR A 53 -2.508 4.665 -0.290 1.00 0.00 C ATOM 817 C TYR A 53 -2.898 3.340 0.352 1.00 0.00 C ATOM 818 O TYR A 53 -2.084 2.700 1.018 1.00 0.00 O ATOM 819 CB TYR A 53 -2.888 4.660 -1.771 1.00 0.00 C ATOM 820 CG TYR A 53 -3.007 6.042 -2.373 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.086 6.862 -2.063 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.047 6.525 -3.252 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.204 8.123 -2.614 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.157 7.785 -3.806 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.237 8.581 -3.485 1.00 0.00 C ATOM 826 OH TYR A 53 -3.350 9.837 -4.034 1.00 0.00 O ATOM 0 H TYR A 53 -0.486 4.382 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.050 5.469 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.140 4.094 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.837 4.138 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.844 6.507 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.200 5.905 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.049 8.747 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.401 8.146 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.586 10.006 -4.624 1.00 0.00 H new ATOM 836 N LYS A 54 -4.147 2.935 0.154 1.00 0.00 N ATOM 837 CA LYS A 54 -4.636 1.690 0.725 1.00 0.00 C ATOM 838 C LYS A 54 -5.682 1.045 -0.181 1.00 0.00 C ATOM 839 O LYS A 54 -6.563 1.721 -0.712 1.00 0.00 O ATOM 840 CB LYS A 54 -5.193 1.952 2.124 1.00 0.00 C ATOM 841 CG LYS A 54 -4.137 2.511 3.068 1.00 0.00 C ATOM 842 CD LYS A 54 -4.649 2.727 4.489 1.00 0.00 C ATOM 843 CE LYS A 54 -5.697 3.827 4.568 1.00 0.00 C ATOM 844 NZ LYS A 54 -6.978 3.426 3.937 1.00 0.00 N ATOM 0 H LYS A 54 -4.835 3.449 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.807 0.987 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.025 2.653 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.590 1.024 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.287 1.829 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.772 3.459 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.074 1.796 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.812 2.980 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.873 4.084 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.318 4.724 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.764 3.635 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.109 3.955 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.960 2.406 3.732 1.00 0.00 H new ATOM 858 N LEU A 55 -5.559 -0.266 -0.376 1.00 0.00 N ATOM 859 CA LEU A 55 -6.470 -1.004 -1.243 1.00 0.00 C ATOM 860 C LEU A 55 -7.567 -1.704 -0.444 1.00 0.00 C ATOM 861 O LEU A 55 -7.339 -2.165 0.676 1.00 0.00 O ATOM 862 CB LEU A 55 -5.682 -2.028 -2.069 1.00 0.00 C ATOM 863 CG LEU A 55 -6.409 -2.581 -3.298 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.558 -3.487 -2.887 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.911 -1.441 -4.172 1.00 0.00 C ATOM 0 H LEU A 55 -4.835 -0.839 0.057 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.954 -0.290 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.751 -1.566 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.413 -2.862 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.702 -3.176 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.058 -3.867 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.172 -4.323 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.269 -2.922 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.426 -1.849 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.601 -0.821 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.066 -0.836 -4.501 1.00 0.00 H new ATOM 877 N ASP A 56 -8.758 -1.780 -1.034 1.00 0.00 N ATOM 878 CA ASP A 56 -9.900 -2.422 -0.391 1.00 0.00 C ATOM 879 C ASP A 56 -10.007 -3.888 -0.817 1.00 0.00 C ATOM 880 O ASP A 56 -10.051 -4.193 -2.008 1.00 0.00 O ATOM 881 CB ASP A 56 -11.195 -1.682 -0.754 1.00 0.00 C ATOM 882 CG ASP A 56 -12.372 -2.124 0.091 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.718 -3.320 0.046 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.947 -1.270 0.799 1.00 0.00 O ATOM 0 H ASP A 56 -8.957 -1.403 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.752 -2.381 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.044 -0.610 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.423 -1.851 -1.806 1.00 0.00 H new ATOM 889 N VAL A 57 -10.056 -4.793 0.160 1.00 0.00 N ATOM 890 CA VAL A 57 -10.166 -6.224 -0.125 1.00 0.00 C ATOM 891 C VAL A 57 -11.631 -6.668 -0.123 1.00 0.00 C ATOM 892 O VAL A 57 -11.951 -7.814 0.191 1.00 0.00 O ATOM 893 CB VAL A 57 -9.347 -7.062 0.885 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.526 -8.558 0.643 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.875 -6.691 0.794 1.00 0.00 C ATOM 0 H VAL A 57 -10.021 -4.562 1.153 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.753 -6.395 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.716 -6.838 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.937 -9.117 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.579 -8.820 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.191 -8.806 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.305 -7.285 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.512 -6.889 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.752 -5.632 1.023 1.00 0.00 H new ATOM 905 N ASP A 58 -12.512 -5.749 -0.497 1.00 0.00 N ATOM 906 CA ASP A 58 -13.941 -6.024 -0.566 1.00 0.00 C ATOM 907 C ASP A 58 -14.520 -5.400 -1.827 1.00 0.00 C ATOM 908 O ASP A 58 -15.269 -6.038 -2.567 1.00 0.00 O ATOM 909 CB ASP A 58 -14.661 -5.466 0.662 1.00 0.00 C ATOM 910 CG ASP A 58 -16.149 -5.763 0.649 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.619 -6.402 -0.315 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.844 -5.357 1.604 1.00 0.00 O ATOM 0 H ASP A 58 -12.258 -4.797 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.086 -7.104 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.217 -5.890 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.510 -4.388 0.709 1.00 0.00 H new ATOM 917 N GLU A 59 -14.157 -4.144 -2.064 1.00 0.00 N ATOM 918 CA GLU A 59 -14.621 -3.415 -3.232 1.00 0.00 C ATOM 919 C GLU A 59 -13.781 -3.778 -4.455 1.00 0.00 C ATOM 920 O GLU A 59 -14.279 -3.794 -5.581 1.00 0.00 O ATOM 921 CB GLU A 59 -14.556 -1.908 -2.974 1.00 0.00 C ATOM 922 CG GLU A 59 -15.120 -1.076 -4.111 1.00 0.00 C ATOM 923 CD GLU A 59 -16.614 -1.264 -4.290 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.040 -2.406 -4.563 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.358 -0.270 -4.155 1.00 0.00 O ATOM 0 H GLU A 59 -13.538 -3.609 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.657 -3.694 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.104 -1.680 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.518 -1.621 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.911 -0.023 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.611 -1.342 -5.037 1.00 0.00 H new ATOM 932 N LEU A 60 -12.504 -4.073 -4.220 1.00 0.00 N ATOM 933 CA LEU A 60 -11.590 -4.445 -5.297 1.00 0.00 C ATOM 934 C LEU A 60 -11.056 -5.858 -5.085 1.00 0.00 C ATOM 935 O LEU A 60 -9.892 -6.047 -4.732 1.00 0.00 O ATOM 936 CB LEU A 60 -10.422 -3.457 -5.382 1.00 0.00 C ATOM 937 CG LEU A 60 -10.801 -2.018 -5.735 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.666 -1.408 -4.645 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.550 -1.181 -5.958 1.00 0.00 C ATOM 0 H LEU A 60 -12.079 -4.062 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.146 -4.414 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.902 -3.453 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.714 -3.821 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.378 -2.030 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.924 -0.384 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.578 -1.995 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.117 -1.407 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.836 -0.159 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.948 -1.177 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.969 -1.606 -6.776 1.00 0.00 H new ATOM 951 N GLY A 61 -11.915 -6.848 -5.304 1.00 0.00 N ATOM 952 CA GLY A 61 -11.508 -8.231 -5.132 1.00 0.00 C ATOM 953 C GLY A 61 -10.682 -8.753 -6.296 1.00 0.00 C ATOM 954 O GLY A 61 -10.240 -9.901 -6.281 1.00 0.00 O ATOM 0 H GLY A 61 -12.883 -6.718 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.930 -8.323 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.395 -8.854 -5.014 1.00 0.00 H new ATOM 958 N ASP A 62 -10.476 -7.913 -7.307 1.00 0.00 N ATOM 959 CA ASP A 62 -9.702 -8.306 -8.477 1.00 0.00 C ATOM 960 C ASP A 62 -8.221 -7.990 -8.296 1.00 0.00 C ATOM 961 O ASP A 62 -7.357 -8.760 -8.717 1.00 0.00 O ATOM 962 CB ASP A 62 -10.233 -7.609 -9.720 1.00 0.00 C ATOM 963 CG ASP A 62 -11.681 -7.952 -10.006 1.00 0.00 C ATOM 964 OD1 ASP A 62 -11.979 -9.147 -10.208 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.517 -7.024 -10.028 1.00 0.00 O ATOM 0 H ASP A 62 -10.834 -6.958 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.806 -9.384 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.136 -6.530 -9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.621 -7.888 -10.578 1.00 0.00 H new ATOM 970 N VAL A 63 -7.930 -6.852 -7.673 1.00 0.00 N ATOM 971 CA VAL A 63 -6.550 -6.438 -7.446 1.00 0.00 C ATOM 972 C VAL A 63 -5.896 -7.310 -6.374 1.00 0.00 C ATOM 973 O VAL A 63 -4.858 -7.927 -6.610 1.00 0.00 O ATOM 974 CB VAL A 63 -6.465 -4.954 -7.033 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.035 -4.450 -7.136 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.397 -4.106 -7.887 1.00 0.00 C ATOM 0 H VAL A 63 -8.630 -6.201 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.014 -6.563 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.782 -4.869 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.997 -3.402 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.394 -5.036 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.687 -4.550 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.323 -3.063 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.113 -4.197 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.423 -4.450 -7.757 1.00 0.00 H new ATOM 986 N ALA A 64 -6.521 -7.385 -5.201 1.00 0.00 N ATOM 987 CA ALA A 64 -6.003 -8.217 -4.114 1.00 0.00 C ATOM 988 C ALA A 64 -5.780 -9.645 -4.603 1.00 0.00 C ATOM 989 O ALA A 64 -4.953 -10.378 -4.063 1.00 0.00 O ATOM 990 CB ALA A 64 -6.968 -8.203 -2.937 1.00 0.00 C ATOM 0 H ALA A 64 -7.381 -6.884 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.047 -7.810 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.572 -8.825 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.089 -7.181 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.935 -8.593 -3.255 1.00 0.00 H new ATOM 996 N GLN A 65 -6.527 -10.026 -5.637 1.00 0.00 N ATOM 997 CA GLN A 65 -6.421 -11.359 -6.214 1.00 0.00 C ATOM 998 C GLN A 65 -5.382 -11.393 -7.333 1.00 0.00 C ATOM 999 O GLN A 65 -4.646 -12.370 -7.474 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.779 -11.816 -6.750 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.755 -13.207 -7.363 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.110 -13.633 -7.893 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.085 -13.715 -7.145 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.179 -13.907 -9.191 1.00 0.00 N ATOM 0 H GLN A 65 -7.214 -9.425 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.100 -12.041 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.505 -11.799 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.123 -11.104 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.028 -13.230 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.420 -13.925 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.346 -13.826 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.065 -14.198 -9.604 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.324 -10.327 -8.134 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.369 -10.265 -9.237 1.00 0.00 C ATOM 1015 C LYS A 66 -2.942 -10.354 -8.702 1.00 0.00 C ATOM 1016 O LYS A 66 -2.133 -11.142 -9.190 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.559 -8.983 -10.065 1.00 0.00 C ATOM 1018 CG LYS A 66 -3.851 -7.755 -9.508 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.025 -6.555 -10.426 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.203 -5.365 -9.955 1.00 0.00 C ATOM 1021 NZ LYS A 66 -1.740 -5.644 -9.999 1.00 0.00 N ATOM 0 H LYS A 66 -5.920 -9.505 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.551 -11.115 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.200 -9.164 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.625 -8.769 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.247 -7.521 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.790 -7.970 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.727 -6.825 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.078 -6.277 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.426 -4.500 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.492 -5.105 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.214 -4.781 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.510 -6.397 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.473 -5.949 -10.957 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.651 -9.550 -7.683 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.343 -9.539 -7.063 1.00 0.00 C ATOM 1037 C ASN A 67 -1.166 -10.747 -6.144 1.00 0.00 C ATOM 1038 O ASN A 67 -0.082 -10.975 -5.608 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.175 -8.250 -6.267 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.254 -7.013 -7.140 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.470 -6.847 -8.075 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.201 -6.134 -6.833 1.00 0.00 N ATOM 0 H ASN A 67 -3.315 -8.894 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.583 -9.592 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.947 -8.198 -5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.214 -8.267 -5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.301 -5.280 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.829 -6.313 -6.049 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.241 -11.515 -5.964 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.211 -12.696 -5.110 1.00 0.00 C ATOM 1051 C GLU A 68 -1.999 -12.310 -3.650 1.00 0.00 C ATOM 1052 O GLU A 68 -1.239 -12.960 -2.931 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.111 -13.659 -5.563 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.265 -14.119 -7.003 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.158 -15.060 -7.436 1.00 0.00 C ATOM 1056 OE1 GLU A 68 1.019 -14.645 -7.400 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.469 -16.210 -7.810 1.00 0.00 O ATOM 0 H GLU A 68 -3.145 -11.337 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.176 -13.196 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.142 -13.173 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.110 -14.531 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.227 -14.618 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.275 -13.249 -7.659 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.673 -11.248 -3.214 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.549 -10.786 -1.839 1.00 0.00 C ATOM 1066 C VAL A 69 -3.779 -11.160 -1.020 1.00 0.00 C ATOM 1067 O VAL A 69 -4.698 -10.357 -0.860 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.348 -9.260 -1.773 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -2.197 -8.803 -0.329 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.141 -8.845 -2.600 1.00 0.00 C ATOM 0 H VAL A 69 -3.307 -10.696 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.672 -11.279 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.231 -8.777 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.056 -7.723 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.094 -9.066 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.333 -9.293 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.014 -7.764 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.248 -9.336 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.294 -9.137 -3.639 1.00 0.00 H new ATOM 1080 N SER A 70 -3.787 -12.381 -0.495 1.00 0.00 N ATOM 1081 CA SER A 70 -4.903 -12.851 0.315 1.00 0.00 C ATOM 1082 C SER A 70 -4.620 -12.651 1.801 1.00 0.00 C ATOM 1083 O SER A 70 -5.537 -12.674 2.622 1.00 0.00 O ATOM 1084 CB SER A 70 -5.194 -14.324 0.031 1.00 0.00 C ATOM 1085 OG SER A 70 -4.089 -15.139 0.386 1.00 0.00 O ATOM 0 H SER A 70 -3.036 -13.060 -0.616 1.00 0.00 H new ATOM 0 HA SER A 70 -5.781 -12.263 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.076 -14.638 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.422 -14.456 -1.027 1.00 0.00 H new ATOM 0 HG SER A 70 -4.300 -16.077 0.197 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.346 -12.448 2.144 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.954 -12.233 3.532 1.00 0.00 C ATOM 1093 C ALA A 71 -3.722 -11.058 4.128 1.00 0.00 C ATOM 1094 O ALA A 71 -4.659 -10.549 3.513 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.454 -11.997 3.627 1.00 0.00 C ATOM 0 H ALA A 71 -2.573 -12.429 1.479 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.199 -13.127 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.176 -11.838 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.924 -12.866 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.186 -11.117 3.042 1.00 0.00 H new ATOM 1101 N MET A 72 -3.339 -10.628 5.326 1.00 0.00 N ATOM 1102 CA MET A 72 -4.031 -9.517 5.965 1.00 0.00 C ATOM 1103 C MET A 72 -3.272 -8.980 7.182 1.00 0.00 C ATOM 1104 O MET A 72 -3.220 -9.631 8.224 1.00 0.00 O ATOM 1105 CB MET A 72 -5.439 -9.947 6.379 1.00 0.00 C ATOM 1106 CG MET A 72 -5.476 -10.997 7.479 1.00 0.00 C ATOM 1107 SD MET A 72 -4.710 -12.559 7.002 1.00 0.00 S ATOM 1108 CE MET A 72 -4.914 -13.509 8.507 1.00 0.00 C ATOM 0 H MET A 72 -2.568 -11.023 5.865 1.00 0.00 H new ATOM 0 HA MET A 72 -4.089 -8.710 5.235 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.991 -9.068 6.713 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.959 -10.336 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.969 -10.606 8.361 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.513 -11.180 7.762 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.181 -14.535 8.256 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.980 -13.504 9.069 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.705 -13.066 9.113 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.672 -7.776 7.079 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.687 -6.943 5.871 1.00 0.00 C ATOM 1120 C PRO A 73 -1.538 -7.279 4.921 1.00 0.00 C ATOM 1121 O PRO A 73 -0.929 -8.341 5.028 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.506 -5.550 6.452 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.578 -5.767 7.593 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.913 -7.123 8.162 1.00 0.00 C ATOM 0 HA PRO A 73 -3.589 -7.075 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.086 -4.861 5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.455 -5.126 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.540 -5.730 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.700 -4.989 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.014 -7.684 8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.505 -7.040 9.073 1.00 0.00 H new ATOM 1132 N THR A 74 -1.242 -6.364 3.998 1.00 0.00 N ATOM 1133 CA THR A 74 -0.157 -6.565 3.039 1.00 0.00 C ATOM 1134 C THR A 74 0.398 -5.226 2.560 1.00 0.00 C ATOM 1135 O THR A 74 -0.235 -4.186 2.728 1.00 0.00 O ATOM 1136 CB THR A 74 -0.643 -7.377 1.835 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.145 -8.638 2.250 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.442 -7.617 0.800 1.00 0.00 C ATOM 0 H THR A 74 -1.737 -5.478 3.894 1.00 0.00 H new ATOM 0 HA THR A 74 0.636 -7.117 3.545 1.00 0.00 H new ATOM 0 HB THR A 74 -1.429 -6.778 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.103 -8.562 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.034 -8.198 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.807 -6.660 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.266 -8.166 1.257 1.00 0.00 H new ATOM 1146 N LEU A 75 1.583 -5.258 1.957 1.00 0.00 N ATOM 1147 CA LEU A 75 2.215 -4.047 1.449 1.00 0.00 C ATOM 1148 C LEU A 75 2.649 -4.227 -0.002 1.00 0.00 C ATOM 1149 O LEU A 75 3.412 -5.137 -0.324 1.00 0.00 O ATOM 1150 CB LEU A 75 3.426 -3.676 2.304 1.00 0.00 C ATOM 1151 CG LEU A 75 3.125 -3.401 3.777 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.385 -2.955 4.495 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.030 -2.352 3.912 1.00 0.00 C ATOM 0 H LEU A 75 2.124 -6.110 1.809 1.00 0.00 H new ATOM 0 HA LEU A 75 1.482 -3.242 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.154 -4.485 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.896 -2.791 1.875 1.00 0.00 H new ATOM 0 HG LEU A 75 2.771 -4.323 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.157 -2.762 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.140 -3.738 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.764 -2.044 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.829 -2.169 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.354 -1.425 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.122 -2.709 3.427 1.00 0.00 H new ATOM 1165 N LEU A 76 2.164 -3.348 -0.874 1.00 0.00 N ATOM 1166 CA LEU A 76 2.507 -3.407 -2.291 1.00 0.00 C ATOM 1167 C LEU A 76 3.172 -2.110 -2.742 1.00 0.00 C ATOM 1168 O LEU A 76 2.660 -1.018 -2.496 1.00 0.00 O ATOM 1169 CB LEU A 76 1.257 -3.688 -3.134 1.00 0.00 C ATOM 1170 CG LEU A 76 0.654 -5.085 -2.952 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.382 -5.367 -4.031 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.743 -6.149 -2.968 1.00 0.00 C ATOM 0 H LEU A 76 1.533 -2.587 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 76 3.215 -4.223 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.497 -2.946 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.508 -3.551 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 76 0.158 -5.117 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.798 -6.364 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.181 -4.628 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.090 -5.312 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.292 -7.133 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.271 -6.115 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.447 -5.962 -2.157 1.00 0.00 H new ATOM 1184 N LEU A 77 4.323 -2.238 -3.399 1.00 0.00 N ATOM 1185 CA LEU A 77 5.065 -1.078 -3.880 1.00 0.00 C ATOM 1186 C LEU A 77 5.007 -0.994 -5.402 1.00 0.00 C ATOM 1187 O LEU A 77 5.013 -2.016 -6.091 1.00 0.00 O ATOM 1188 CB LEU A 77 6.521 -1.142 -3.410 1.00 0.00 C ATOM 1189 CG LEU A 77 6.720 -1.134 -1.891 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.103 -2.374 -1.260 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.199 -1.041 -1.549 1.00 0.00 C ATOM 0 H LEU A 77 4.761 -3.135 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 77 4.602 -0.182 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.977 -2.046 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.060 -0.295 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 77 6.215 -0.258 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.256 -2.348 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.035 -2.398 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.576 -3.266 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.322 -1.036 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.724 -1.898 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.612 -0.122 -1.965 1.00 0.00 H new ATOM 1203 N PHE A 78 4.936 0.232 -5.918 1.00 0.00 N ATOM 1204 CA PHE A 78 4.852 0.461 -7.360 1.00 0.00 C ATOM 1205 C PHE A 78 5.620 1.725 -7.761 1.00 0.00 C ATOM 1206 O PHE A 78 5.378 2.795 -7.203 1.00 0.00 O ATOM 1207 CB PHE A 78 3.378 0.623 -7.748 1.00 0.00 C ATOM 1208 CG PHE A 78 2.509 -0.522 -7.306 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.559 -1.745 -7.955 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.646 -0.371 -6.234 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.762 -2.796 -7.541 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.848 -1.418 -5.815 1.00 0.00 C ATOM 1213 CZ PHE A 78 0.906 -2.632 -6.469 1.00 0.00 C ATOM 0 H PHE A 78 4.935 1.084 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 78 5.295 -0.390 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.996 1.547 -7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.305 0.726 -8.831 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.227 -1.879 -8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.596 0.577 -5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.808 -3.745 -8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.180 -1.287 -4.977 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.283 -3.452 -6.143 1.00 0.00 H new ATOM 1223 N LYS A 79 6.532 1.616 -8.734 1.00 0.00 N ATOM 1224 CA LYS A 79 7.287 2.796 -9.174 1.00 0.00 C ATOM 1225 C LYS A 79 7.009 3.135 -10.636 1.00 0.00 C ATOM 1226 O LYS A 79 6.970 2.253 -11.492 1.00 0.00 O ATOM 1227 CB LYS A 79 8.792 2.613 -8.966 1.00 0.00 C ATOM 1228 CG LYS A 79 9.211 2.632 -7.505 1.00 0.00 C ATOM 1229 CD LYS A 79 10.725 2.706 -7.354 1.00 0.00 C ATOM 1230 CE LYS A 79 11.278 4.014 -7.900 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.751 4.111 -7.718 1.00 0.00 N ATOM 0 H LYS A 79 6.761 0.749 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 79 6.947 3.626 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.099 1.667 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.323 3.403 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.753 3.486 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.839 1.736 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.992 2.608 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.185 1.868 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.037 4.096 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.794 4.851 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.085 5.030 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.982 4.024 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.217 3.347 -8.247 1.00 0.00 H new ATOM 1245 N ASN A 80 6.826 4.429 -10.913 1.00 0.00 N ATOM 1246 CA ASN A 80 6.561 4.901 -12.271 1.00 0.00 C ATOM 1247 C ASN A 80 5.507 4.043 -12.968 1.00 0.00 C ATOM 1248 O ASN A 80 5.804 3.338 -13.931 1.00 0.00 O ATOM 1249 CB ASN A 80 7.853 4.907 -13.088 1.00 0.00 C ATOM 1250 CG ASN A 80 8.918 5.796 -12.477 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.347 5.582 -11.344 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.352 6.801 -13.228 1.00 0.00 N ATOM 0 H ASN A 80 6.857 5.169 -10.211 1.00 0.00 H new ATOM 0 HA ASN A 80 6.173 5.917 -12.200 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.235 3.889 -13.167 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.638 5.246 -14.101 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.069 7.432 -12.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.968 6.942 -14.163 1.00 0.00 H new ATOM 1259 N GLY A 81 4.274 4.120 -12.478 1.00 0.00 N ATOM 1260 CA GLY A 81 3.180 3.362 -13.058 1.00 0.00 C ATOM 1261 C GLY A 81 3.537 1.913 -13.323 1.00 0.00 C ATOM 1262 O GLY A 81 3.061 1.314 -14.287 1.00 0.00 O ATOM 0 H GLY A 81 4.011 4.700 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.322 3.402 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.875 3.832 -13.993 1.00 0.00 H new ATOM 1266 N LYS A 82 4.372 1.350 -12.460 1.00 0.00 N ATOM 1267 CA LYS A 82 4.793 -0.036 -12.591 1.00 0.00 C ATOM 1268 C LYS A 82 4.888 -0.683 -11.212 1.00 0.00 C ATOM 1269 O LYS A 82 4.305 -0.194 -10.252 1.00 0.00 O ATOM 1270 CB LYS A 82 6.134 -0.115 -13.331 1.00 0.00 C ATOM 1271 CG LYS A 82 6.065 0.387 -14.765 1.00 0.00 C ATOM 1272 CD LYS A 82 7.431 0.358 -15.432 1.00 0.00 C ATOM 1273 CE LYS A 82 7.364 0.871 -16.861 1.00 0.00 C ATOM 1274 NZ LYS A 82 6.447 0.055 -17.702 1.00 0.00 N ATOM 0 H LYS A 82 4.772 1.836 -11.658 1.00 0.00 H new ATOM 0 HA LYS A 82 4.053 -0.582 -13.176 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.876 0.468 -12.785 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.479 -1.149 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.368 -0.228 -15.334 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.675 1.405 -14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.130 0.966 -14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.818 -0.661 -15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.028 1.908 -16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.363 0.860 -17.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.593 0.291 -18.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.645 -0.955 -17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.462 0.258 -17.438 1.00 0.00 H new ATOM 1288 N GLU A 83 5.618 -1.780 -11.121 1.00 0.00 N ATOM 1289 CA GLU A 83 5.781 -2.491 -9.862 1.00 0.00 C ATOM 1290 C GLU A 83 7.210 -2.304 -9.354 1.00 0.00 C ATOM 1291 O GLU A 83 8.001 -1.613 -9.994 1.00 0.00 O ATOM 1292 CB GLU A 83 5.455 -3.978 -10.095 1.00 0.00 C ATOM 1293 CG GLU A 83 5.439 -4.842 -8.843 1.00 0.00 C ATOM 1294 CD GLU A 83 4.810 -6.200 -9.086 1.00 0.00 C ATOM 1295 OE1 GLU A 83 3.624 -6.244 -9.474 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.502 -7.220 -8.887 1.00 0.00 O ATOM 0 H GLU A 83 6.111 -2.201 -11.908 1.00 0.00 H new ATOM 0 HA GLU A 83 5.103 -2.098 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.480 -4.048 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.186 -4.389 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.460 -4.976 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.890 -4.326 -8.056 1.00 0.00 H new ATOM 1303 N VAL A 84 7.531 -2.896 -8.204 1.00 0.00 N ATOM 1304 CA VAL A 84 8.868 -2.789 -7.628 1.00 0.00 C ATOM 1305 C VAL A 84 9.094 -3.841 -6.550 1.00 0.00 C ATOM 1306 O VAL A 84 10.129 -4.507 -6.534 1.00 0.00 O ATOM 1307 CB VAL A 84 9.141 -1.399 -7.029 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.398 -0.384 -8.127 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.987 -0.960 -6.145 1.00 0.00 C ATOM 0 H VAL A 84 6.880 -3.456 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 84 9.561 -2.953 -8.453 1.00 0.00 H new ATOM 0 HB VAL A 84 10.036 -1.462 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.589 0.593 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.265 -0.692 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.525 -0.322 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.200 0.026 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.072 -0.915 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.859 -1.675 -5.332 1.00 0.00 H new ATOM 1319 N ALA A 85 8.131 -3.988 -5.645 1.00 0.00 N ATOM 1320 CA ALA A 85 8.258 -4.966 -4.572 1.00 0.00 C ATOM 1321 C ALA A 85 6.916 -5.277 -3.921 1.00 0.00 C ATOM 1322 O ALA A 85 5.972 -4.489 -4.003 1.00 0.00 O ATOM 1323 CB ALA A 85 9.247 -4.471 -3.526 1.00 0.00 C ATOM 0 H ALA A 85 7.265 -3.449 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 85 8.630 -5.891 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.334 -5.210 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.222 -4.321 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.894 -3.528 -3.109 1.00 0.00 H new ATOM 1329 N LYS A 86 6.845 -6.432 -3.267 1.00 0.00 N ATOM 1330 CA LYS A 86 5.631 -6.865 -2.587 1.00 0.00 C ATOM 1331 C LYS A 86 5.967 -7.700 -1.352 1.00 0.00 C ATOM 1332 O LYS A 86 6.510 -8.797 -1.455 1.00 0.00 O ATOM 1333 CB LYS A 86 4.720 -7.647 -3.540 1.00 0.00 C ATOM 1334 CG LYS A 86 5.460 -8.460 -4.598 1.00 0.00 C ATOM 1335 CD LYS A 86 6.397 -9.486 -3.987 1.00 0.00 C ATOM 1336 CE LYS A 86 7.006 -10.384 -5.050 1.00 0.00 C ATOM 1337 NZ LYS A 86 5.967 -11.137 -5.805 1.00 0.00 N ATOM 0 H LYS A 86 7.622 -7.089 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 86 5.094 -5.975 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.095 -8.321 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.052 -6.946 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.736 -8.967 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.030 -7.786 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.191 -8.976 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.852 -10.093 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.592 -9.780 -5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.694 -11.087 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.402 -11.962 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.225 -11.457 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.547 -10.519 -6.528 1.00 0.00 H new ATOM 1351 N VAL A 87 5.646 -7.165 -0.181 1.00 0.00 N ATOM 1352 CA VAL A 87 5.924 -7.857 1.071 1.00 0.00 C ATOM 1353 C VAL A 87 4.771 -7.707 2.058 1.00 0.00 C ATOM 1354 O VAL A 87 4.567 -6.638 2.632 1.00 0.00 O ATOM 1355 CB VAL A 87 7.218 -7.327 1.723 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.525 -8.078 3.011 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.383 -7.427 0.750 1.00 0.00 C ATOM 0 H VAL A 87 5.194 -6.257 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 87 6.048 -8.912 0.829 1.00 0.00 H new ATOM 0 HB VAL A 87 7.068 -6.277 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.442 -7.686 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.701 -7.949 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.652 -9.138 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.288 -7.049 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.531 -8.469 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.166 -6.835 -0.139 1.00 0.00 H new ATOM 1367 N VAL A 88 4.026 -8.789 2.261 1.00 0.00 N ATOM 1368 CA VAL A 88 2.904 -8.776 3.190 1.00 0.00 C ATOM 1369 C VAL A 88 3.398 -8.666 4.629 1.00 0.00 C ATOM 1370 O VAL A 88 3.997 -9.597 5.168 1.00 0.00 O ATOM 1371 CB VAL A 88 2.025 -10.038 3.033 1.00 0.00 C ATOM 1372 CG1 VAL A 88 2.881 -11.297 3.096 1.00 0.00 C ATOM 1373 CG2 VAL A 88 0.931 -10.077 4.093 1.00 0.00 C ATOM 0 H VAL A 88 4.179 -9.683 1.795 1.00 0.00 H new ATOM 0 HA VAL A 88 2.295 -7.903 2.954 1.00 0.00 H new ATOM 0 HB VAL A 88 1.544 -9.997 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.245 -12.175 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.617 -11.277 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.394 -11.341 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.327 -10.975 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.385 -10.089 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.297 -9.196 3.994 1.00 0.00 H new ATOM 1383 N GLY A 89 3.146 -7.514 5.243 1.00 0.00 N ATOM 1384 CA GLY A 89 3.571 -7.288 6.611 1.00 0.00 C ATOM 1385 C GLY A 89 4.247 -5.942 6.785 1.00 0.00 C ATOM 1386 O GLY A 89 5.392 -5.759 6.370 1.00 0.00 O ATOM 0 H GLY A 89 2.653 -6.731 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.707 -7.347 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.258 -8.079 6.912 1.00 0.00 H new ATOM 1390 N ALA A 90 3.537 -4.997 7.391 1.00 0.00 N ATOM 1391 CA ALA A 90 4.079 -3.661 7.611 1.00 0.00 C ATOM 1392 C ALA A 90 4.716 -3.540 8.989 1.00 0.00 C ATOM 1393 O ALA A 90 4.609 -2.504 9.645 1.00 0.00 O ATOM 1394 CB ALA A 90 2.987 -2.616 7.439 1.00 0.00 C ATOM 0 H ALA A 90 2.587 -5.131 7.738 1.00 0.00 H new ATOM 0 HA ALA A 90 4.857 -3.487 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.404 -1.623 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.583 -2.675 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.190 -2.800 8.159 1.00 0.00 H new ATOM 1400 N ASN A 91 5.389 -4.599 9.418 1.00 0.00 N ATOM 1401 CA ASN A 91 6.052 -4.613 10.703 1.00 0.00 C ATOM 1402 C ASN A 91 7.295 -3.728 10.671 1.00 0.00 C ATOM 1403 O ASN A 91 8.073 -3.782 9.720 1.00 0.00 O ATOM 1404 CB ASN A 91 6.435 -6.045 11.056 1.00 0.00 C ATOM 1405 CG ASN A 91 5.228 -6.954 11.186 1.00 0.00 C ATOM 1406 OD1 ASN A 91 4.458 -7.123 10.240 1.00 0.00 O ATOM 1407 ND2 ASN A 91 5.056 -7.545 12.363 1.00 0.00 N ATOM 0 H ASN A 91 5.487 -5.463 8.886 1.00 0.00 H new ATOM 0 HA ASN A 91 5.373 -4.222 11.461 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.102 -6.439 10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.991 -6.048 11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.261 -8.167 12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.719 -7.377 13.120 1.00 0.00 H new ATOM 1414 N PRO A 92 7.500 -2.892 11.707 1.00 0.00 N ATOM 1415 CA PRO A 92 8.657 -1.991 11.783 1.00 0.00 C ATOM 1416 C PRO A 92 9.974 -2.701 11.487 1.00 0.00 C ATOM 1417 O PRO A 92 10.672 -3.138 12.402 1.00 0.00 O ATOM 1418 CB PRO A 92 8.622 -1.509 13.231 1.00 0.00 C ATOM 1419 CG PRO A 92 7.178 -1.543 13.583 1.00 0.00 C ATOM 1420 CD PRO A 92 6.619 -2.751 12.885 1.00 0.00 C ATOM 0 HA PRO A 92 8.602 -1.190 11.046 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.208 -2.158 13.882 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.034 -0.504 13.328 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.039 -1.615 14.662 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.674 -0.634 13.257 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.651 -3.636 13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.578 -2.604 12.595 1.00 0.00 H new ATOM 1428 N ALA A 93 10.307 -2.816 10.204 1.00 0.00 N ATOM 1429 CA ALA A 93 11.539 -3.476 9.791 1.00 0.00 C ATOM 1430 C ALA A 93 11.673 -3.506 8.271 1.00 0.00 C ATOM 1431 O ALA A 93 12.769 -3.339 7.735 1.00 0.00 O ATOM 1432 CB ALA A 93 11.596 -4.891 10.352 1.00 0.00 C ATOM 0 H ALA A 93 9.740 -2.460 9.434 1.00 0.00 H new ATOM 0 HA ALA A 93 12.374 -2.901 10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.522 -5.371 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.562 -4.852 11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.745 -5.464 9.982 1.00 0.00 H new ATOM 1438 N ALA A 94 10.558 -3.728 7.578 1.00 0.00 N ATOM 1439 CA ALA A 94 10.573 -3.784 6.119 1.00 0.00 C ATOM 1440 C ALA A 94 9.765 -2.653 5.505 1.00 0.00 C ATOM 1441 O ALA A 94 10.224 -1.994 4.572 1.00 0.00 O ATOM 1442 CB ALA A 94 10.063 -5.132 5.632 1.00 0.00 C ATOM 0 H ALA A 94 9.640 -3.871 7.999 1.00 0.00 H new ATOM 0 HA ALA A 94 11.607 -3.662 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.081 -5.156 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.700 -5.925 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.041 -5.282 5.981 1.00 0.00 H new ATOM 1448 N ILE A 95 8.570 -2.415 6.030 1.00 0.00 N ATOM 1449 CA ILE A 95 7.727 -1.344 5.522 1.00 0.00 C ATOM 1450 C ILE A 95 8.483 -0.013 5.492 1.00 0.00 C ATOM 1451 O ILE A 95 8.061 0.931 4.826 1.00 0.00 O ATOM 1452 CB ILE A 95 6.451 -1.193 6.374 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.605 -0.007 5.901 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.815 -1.034 7.843 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.207 -0.077 4.441 1.00 0.00 C ATOM 0 H ILE A 95 8.166 -2.946 6.802 1.00 0.00 H new ATOM 0 HA ILE A 95 7.443 -1.611 4.504 1.00 0.00 H new ATOM 0 HB ILE A 95 5.855 -2.098 6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.703 0.049 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.162 0.914 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.905 -0.928 8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.366 -1.913 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.435 -0.147 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.610 0.798 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.103 -0.100 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.621 -0.979 4.266 1.00 0.00 H new ATOM 1467 N LYS A 96 9.601 0.057 6.213 1.00 0.00 N ATOM 1468 CA LYS A 96 10.408 1.273 6.250 1.00 0.00 C ATOM 1469 C LYS A 96 11.493 1.238 5.181 1.00 0.00 C ATOM 1470 O LYS A 96 11.666 2.192 4.422 1.00 0.00 O ATOM 1471 CB LYS A 96 11.025 1.470 7.639 1.00 0.00 C ATOM 1472 CG LYS A 96 11.943 0.337 8.072 1.00 0.00 C ATOM 1473 CD LYS A 96 12.552 0.583 9.447 1.00 0.00 C ATOM 1474 CE LYS A 96 11.499 0.603 10.548 1.00 0.00 C ATOM 1475 NZ LYS A 96 10.674 1.843 10.525 1.00 0.00 N ATOM 0 H LYS A 96 9.966 -0.711 6.777 1.00 0.00 H new ATOM 0 HA LYS A 96 9.754 2.120 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.588 2.404 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.224 1.575 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.382 -0.597 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.741 0.218 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.285 -0.194 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.087 1.533 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.848 -0.265 10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.990 0.515 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.545 2.192 11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.155 2.569 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.745 1.634 10.106 1.00 0.00 H new ATOM 1489 N GLN A 97 12.225 0.129 5.130 1.00 0.00 N ATOM 1490 CA GLN A 97 13.298 -0.033 4.159 1.00 0.00 C ATOM 1491 C GLN A 97 12.732 -0.219 2.760 1.00 0.00 C ATOM 1492 O GLN A 97 13.337 0.201 1.773 1.00 0.00 O ATOM 1493 CB GLN A 97 14.173 -1.233 4.528 1.00 0.00 C ATOM 1494 CG GLN A 97 14.834 -1.110 5.893 1.00 0.00 C ATOM 1495 CD GLN A 97 15.726 -2.294 6.249 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.324 -2.322 7.324 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.823 -3.278 5.357 1.00 0.00 N ATOM 0 H GLN A 97 12.093 -0.670 5.750 1.00 0.00 H new ATOM 0 HA GLN A 97 13.908 0.870 4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.563 -2.136 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.946 -1.355 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.429 -0.197 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.060 -1.007 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.312 -3.220 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.408 -4.090 5.555 1.00 0.00 H new ATOM 1506 N ALA A 98 11.563 -0.843 2.681 1.00 0.00 N ATOM 1507 CA ALA A 98 10.914 -1.074 1.396 1.00 0.00 C ATOM 1508 C ALA A 98 10.681 0.248 0.672 1.00 0.00 C ATOM 1509 O ALA A 98 10.728 0.318 -0.555 1.00 0.00 O ATOM 1510 CB ALA A 98 9.596 -1.811 1.592 1.00 0.00 C ATOM 0 H ALA A 98 11.047 -1.197 3.487 1.00 0.00 H new ATOM 0 HA ALA A 98 11.570 -1.693 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.124 -1.976 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.784 -2.771 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.935 -1.214 2.221 1.00 0.00 H new ATOM 1516 N ILE A 99 10.431 1.292 1.450 1.00 0.00 N ATOM 1517 CA ILE A 99 10.191 2.621 0.912 1.00 0.00 C ATOM 1518 C ILE A 99 11.493 3.415 0.782 1.00 0.00 C ATOM 1519 O ILE A 99 11.527 4.466 0.141 1.00 0.00 O ATOM 1520 CB ILE A 99 9.193 3.393 1.808 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.804 2.761 1.715 1.00 0.00 C ATOM 1522 CG2 ILE A 99 9.131 4.863 1.415 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.749 1.312 2.144 1.00 0.00 C ATOM 0 H ILE A 99 10.389 1.241 2.468 1.00 0.00 H new ATOM 0 HA ILE A 99 9.764 2.502 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 99 9.542 3.332 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.114 3.337 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.451 2.837 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.422 5.383 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.118 5.311 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.808 4.949 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.728 0.942 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.411 0.720 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.068 1.228 3.183 1.00 0.00 H new ATOM 1535 N ALA A 100 12.563 2.908 1.389 1.00 0.00 N ATOM 1536 CA ALA A 100 13.859 3.573 1.337 1.00 0.00 C ATOM 1537 C ALA A 100 14.675 3.090 0.147 1.00 0.00 C ATOM 1538 O ALA A 100 14.979 3.858 -0.764 1.00 0.00 O ATOM 1539 CB ALA A 100 14.622 3.340 2.634 1.00 0.00 C ATOM 0 H ALA A 100 12.557 2.039 1.922 1.00 0.00 H new ATOM 0 HA ALA A 100 13.688 4.643 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.588 3.842 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.049 3.741 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.776 2.271 2.779 1.00 0.00 H new ATOM 1545 N ALA A 101 15.027 1.809 0.165 1.00 0.00 N ATOM 1546 CA ALA A 101 15.809 1.214 -0.911 1.00 0.00 C ATOM 1547 C ALA A 101 15.158 1.467 -2.266 1.00 0.00 C ATOM 1548 O ALA A 101 15.842 1.569 -3.284 1.00 0.00 O ATOM 1549 CB ALA A 101 15.982 -0.278 -0.676 1.00 0.00 C ATOM 0 H ALA A 101 14.782 1.162 0.915 1.00 0.00 H new ATOM 0 HA ALA A 101 16.792 1.685 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.568 -0.709 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.499 -0.440 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.003 -0.757 -0.641 1.00 0.00 H new ATOM 1555 N ASN A 102 13.832 1.569 -2.272 1.00 0.00 N ATOM 1556 CA ASN A 102 13.096 1.809 -3.497 1.00 0.00 C ATOM 1557 C ASN A 102 12.920 3.304 -3.750 1.00 0.00 C ATOM 1558 O ASN A 102 13.468 3.849 -4.708 1.00 0.00 O ATOM 1559 CB ASN A 102 11.738 1.122 -3.421 1.00 0.00 C ATOM 1560 CG ASN A 102 11.843 -0.382 -3.588 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.331 -0.871 -4.606 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.382 -1.124 -2.588 1.00 0.00 N ATOM 0 H ASN A 102 13.250 1.488 -1.438 1.00 0.00 H new ATOM 0 HA ASN A 102 13.665 1.395 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.273 1.347 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.085 1.526 -4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.425 -2.141 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.985 -0.677 -1.762 1.00 0.00 H new ATOM 1569 N ALA A 103 12.153 3.961 -2.886 1.00 0.00 N ATOM 1570 CA ALA A 103 11.908 5.392 -3.017 1.00 0.00 C ATOM 1571 C ALA A 103 13.162 6.196 -2.692 1.00 0.00 C ATOM 1572 O ALA A 103 13.831 5.870 -1.689 1.00 0.00 O ATOM 1573 CB ALA A 103 10.759 5.817 -2.117 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.467 7.146 -3.445 1.00 0.00 O ATOM 0 H ALA A 103 11.691 3.525 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 103 11.636 5.594 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.588 6.888 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.856 5.275 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.007 5.593 -1.080 1.00 0.00 H new TER 1580 ALA A 103