USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 92 GLN : amide:sc= -0.567 K(o=-0.91,f=-1.5) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.345 X(o=-0.91,f=-0.87) USER MOD Set 2.1: A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0499) USER MOD Set 2.2: A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.127 (180deg=-0.644) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 45:sc= 0.066 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.411) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 1.32 (180deg=1.22) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -1.69! (180deg=-2.05!) USER MOD Single : A 29 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.3) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.18 USER MOD Single : A 35 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.4!) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= -0.0277 (180deg=-0.0372) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.23) USER MOD Single : A 40 MET CE :methyl -168:sc= -1.84 (180deg=-2.07) USER MOD Single : A 41 THR OG1 : rot -35:sc= 0.573 USER MOD Single : A 42 THR OG1 : rot 160:sc=-0.00132 USER MOD Single : A 43 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.05) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.17) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.757 (180deg=-1.01) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 0.678 (180deg=-0.423) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 27:sc= -1.75 USER MOD Single : A 52 CYS SG : rot 83:sc= -3.08! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.31 F(o=-3.7!,f=-1.3) USER MOD Single : A 59 MET CE :methyl 166:sc= 0 (180deg=-0.302) USER MOD Single : A 60 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.5!) USER MOD Single : A 61 SER OG : rot -173:sc= -2.22! USER MOD Single : A 69 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2!) USER MOD Single : A 74 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot -170:sc= -0.748 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 155:sc= -0.646 (180deg=-1.85) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0739 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.461 3.190 10.899 1.00 0.00 N ATOM 2 CA MET A 1 22.572 2.299 10.536 1.00 0.00 C ATOM 3 C MET A 1 23.910 2.814 11.076 1.00 0.00 C ATOM 4 O MET A 1 24.734 2.042 11.556 1.00 0.00 O ATOM 5 CB MET A 1 22.650 2.122 9.011 1.00 0.00 C ATOM 6 CG MET A 1 23.746 1.166 8.552 1.00 0.00 C ATOM 7 SD MET A 1 23.859 1.036 6.753 1.00 0.00 S ATOM 8 CE MET A 1 22.207 0.465 6.344 1.00 0.00 C ATOM 0 H1 MET A 1 20.562 2.767 10.591 1.00 0.00 H new ATOM 0 H2 MET A 1 21.445 3.323 11.930 1.00 0.00 H new ATOM 0 H3 MET A 1 21.588 4.111 10.433 1.00 0.00 H new ATOM 0 HA MET A 1 22.375 1.330 10.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.689 1.757 8.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.816 3.096 8.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.704 1.503 8.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.558 0.178 8.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.204 0.054 5.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.903 -0.307 7.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.510 1.301 6.397 1.00 0.00 H new ATOM 18 N SER A 2 24.121 4.124 11.023 1.00 0.00 N ATOM 19 CA SER A 2 25.386 4.723 11.436 1.00 0.00 C ATOM 20 C SER A 2 25.408 5.076 12.921 1.00 0.00 C ATOM 21 O SER A 2 26.167 5.949 13.353 1.00 0.00 O ATOM 22 CB SER A 2 25.628 5.963 10.612 1.00 0.00 C ATOM 23 OG SER A 2 24.452 6.753 10.532 1.00 0.00 O ATOM 0 H SER A 2 23.427 4.796 10.696 1.00 0.00 H new ATOM 0 HA SER A 2 26.176 3.990 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.435 6.547 11.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.951 5.682 9.610 1.00 0.00 H new ATOM 0 HG SER A 2 24.631 7.553 9.995 1.00 0.00 H new ATOM 29 N ASP A 3 24.586 4.388 13.697 1.00 0.00 N ATOM 30 CA ASP A 3 24.498 4.609 15.150 1.00 0.00 C ATOM 31 C ASP A 3 24.018 6.011 15.451 1.00 0.00 C ATOM 32 O ASP A 3 24.538 6.691 16.333 1.00 0.00 O ATOM 33 CB ASP A 3 25.841 4.342 15.842 1.00 0.00 C ATOM 34 CG ASP A 3 26.060 2.880 16.156 1.00 0.00 C ATOM 35 OD1 ASP A 3 25.620 2.425 17.236 1.00 0.00 O ATOM 36 OD2 ASP A 3 26.678 2.174 15.334 1.00 0.00 O ATOM 0 H ASP A 3 23.960 3.662 13.349 1.00 0.00 H new ATOM 0 HA ASP A 3 23.771 3.900 15.546 1.00 0.00 H new ATOM 0 HB2 ASP A 3 26.650 4.696 15.203 1.00 0.00 H new ATOM 0 HB3 ASP A 3 25.889 4.918 16.766 1.00 0.00 H new ATOM 41 N GLN A 4 23.017 6.436 14.699 1.00 0.00 N ATOM 42 CA GLN A 4 22.417 7.750 14.851 1.00 0.00 C ATOM 43 C GLN A 4 21.894 7.941 16.265 1.00 0.00 C ATOM 44 O GLN A 4 20.869 7.372 16.659 1.00 0.00 O ATOM 45 CB GLN A 4 21.298 7.921 13.843 1.00 0.00 C ATOM 46 CG GLN A 4 21.765 7.783 12.414 1.00 0.00 C ATOM 47 CD GLN A 4 20.621 7.627 11.453 1.00 0.00 C ATOM 48 OE1 GLN A 4 20.101 8.611 10.922 1.00 0.00 O ATOM 49 NE2 GLN A 4 20.211 6.390 11.228 1.00 0.00 N ATOM 0 H GLN A 4 22.595 5.874 13.960 1.00 0.00 H new ATOM 0 HA GLN A 4 23.179 8.508 14.668 1.00 0.00 H new ATOM 0 HB2 GLN A 4 20.523 7.180 14.039 1.00 0.00 H new ATOM 0 HB3 GLN A 4 20.842 8.902 13.977 1.00 0.00 H new ATOM 0 HG2 GLN A 4 22.350 8.660 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 4 22.426 6.920 12.332 1.00 0.00 H new ATOM 0 HE21 GLN A 4 20.673 5.607 11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 4 19.433 6.219 10.591 1.00 0.00 H new ATOM 58 N GLU A 5 22.599 8.741 17.024 1.00 0.00 N ATOM 59 CA GLU A 5 22.274 8.976 18.413 1.00 0.00 C ATOM 60 C GLU A 5 21.214 10.055 18.560 1.00 0.00 C ATOM 61 O GLU A 5 20.872 10.760 17.603 1.00 0.00 O ATOM 62 CB GLU A 5 23.539 9.352 19.213 1.00 0.00 C ATOM 63 CG GLU A 5 24.200 10.677 18.809 1.00 0.00 C ATOM 64 CD GLU A 5 24.756 10.667 17.399 1.00 0.00 C ATOM 65 OE1 GLU A 5 25.798 10.028 17.169 1.00 0.00 O ATOM 66 OE2 GLU A 5 24.148 11.298 16.511 1.00 0.00 O ATOM 0 H GLU A 5 23.419 9.251 16.697 1.00 0.00 H new ATOM 0 HA GLU A 5 21.868 8.049 18.818 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.279 9.402 20.270 1.00 0.00 H new ATOM 0 HB3 GLU A 5 24.270 8.551 19.102 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.469 11.481 18.898 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.006 10.900 19.508 1.00 0.00 H new ATOM 73 N ALA A 6 20.678 10.176 19.753 1.00 0.00 N ATOM 74 CA ALA A 6 19.686 11.176 20.043 1.00 0.00 C ATOM 75 C ALA A 6 20.330 12.344 20.761 1.00 0.00 C ATOM 76 O ALA A 6 21.216 12.163 21.605 1.00 0.00 O ATOM 77 CB ALA A 6 18.564 10.587 20.884 1.00 0.00 C ATOM 0 H ALA A 6 20.920 9.583 20.547 1.00 0.00 H new ATOM 0 HA ALA A 6 19.257 11.530 19.105 1.00 0.00 H new ATOM 0 HB1 ALA A 6 17.823 11.358 21.093 1.00 0.00 H new ATOM 0 HB2 ALA A 6 18.092 9.769 20.340 1.00 0.00 H new ATOM 0 HB3 ALA A 6 18.972 10.211 21.822 1.00 0.00 H new ATOM 83 N LYS A 7 19.902 13.537 20.430 1.00 0.00 N ATOM 84 CA LYS A 7 20.436 14.734 21.022 1.00 0.00 C ATOM 85 C LYS A 7 19.305 15.712 21.291 1.00 0.00 C ATOM 86 O LYS A 7 18.279 15.674 20.608 1.00 0.00 O ATOM 87 CB LYS A 7 21.479 15.370 20.090 1.00 0.00 C ATOM 88 CG LYS A 7 20.943 15.697 18.698 1.00 0.00 C ATOM 89 CD LYS A 7 21.984 16.401 17.838 1.00 0.00 C ATOM 90 CE LYS A 7 22.389 17.740 18.433 1.00 0.00 C ATOM 91 NZ LYS A 7 23.303 18.491 17.541 1.00 0.00 N ATOM 0 H LYS A 7 19.170 13.704 19.739 1.00 0.00 H new ATOM 0 HA LYS A 7 20.925 14.482 21.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.853 16.285 20.549 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.327 14.692 19.993 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.628 14.777 18.205 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.060 16.329 18.789 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.864 15.766 17.738 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.585 16.554 16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.497 18.337 18.623 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.875 17.577 19.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 23.554 19.397 17.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 24.166 17.934 17.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.831 18.670 16.632 1.00 0.00 H new ATOM 105 N PRO A 8 19.461 16.586 22.296 1.00 0.00 N ATOM 106 CA PRO A 8 18.451 17.589 22.625 1.00 0.00 C ATOM 107 C PRO A 8 18.235 18.565 21.473 1.00 0.00 C ATOM 108 O PRO A 8 19.071 19.434 21.200 1.00 0.00 O ATOM 109 CB PRO A 8 19.024 18.328 23.831 1.00 0.00 C ATOM 110 CG PRO A 8 20.129 17.465 24.348 1.00 0.00 C ATOM 111 CD PRO A 8 20.623 16.655 23.186 1.00 0.00 C ATOM 0 HA PRO A 8 17.482 17.131 22.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 19.397 19.312 23.546 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.261 18.485 24.593 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.932 18.073 24.765 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.772 16.816 25.148 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.474 17.131 22.698 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.948 15.663 23.498 1.00 0.00 H new ATOM 119 N SER A 9 17.139 18.399 20.785 1.00 0.00 N ATOM 120 CA SER A 9 16.793 19.243 19.667 1.00 0.00 C ATOM 121 C SER A 9 16.193 20.563 20.142 1.00 0.00 C ATOM 122 O SER A 9 15.117 20.597 20.754 1.00 0.00 O ATOM 123 CB SER A 9 15.828 18.498 18.744 1.00 0.00 C ATOM 124 OG SER A 9 14.881 17.749 19.501 1.00 0.00 O ATOM 0 H SER A 9 16.454 17.670 20.983 1.00 0.00 H new ATOM 0 HA SER A 9 17.699 19.482 19.110 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.307 19.210 18.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.387 17.830 18.089 1.00 0.00 H new ATOM 0 HG SER A 9 14.534 18.303 20.231 1.00 0.00 H new ATOM 130 N THR A 10 16.891 21.651 19.883 1.00 0.00 N ATOM 131 CA THR A 10 16.432 22.961 20.273 1.00 0.00 C ATOM 132 C THR A 10 15.404 23.479 19.272 1.00 0.00 C ATOM 133 O THR A 10 15.729 24.199 18.325 1.00 0.00 O ATOM 134 CB THR A 10 17.601 23.949 20.373 1.00 0.00 C ATOM 135 OG1 THR A 10 18.684 23.333 21.083 1.00 0.00 O ATOM 136 CG2 THR A 10 17.178 25.216 21.105 1.00 0.00 C ATOM 0 H THR A 10 17.788 21.648 19.398 1.00 0.00 H new ATOM 0 HA THR A 10 15.968 22.875 21.256 1.00 0.00 H new ATOM 0 HB THR A 10 17.916 24.217 19.365 1.00 0.00 H new ATOM 0 HG1 THR A 10 19.433 23.962 21.147 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.023 25.902 21.164 1.00 0.00 H new ATOM 0 HG22 THR A 10 16.361 25.693 20.564 1.00 0.00 H new ATOM 0 HG23 THR A 10 16.847 24.961 22.112 1.00 0.00 H new ATOM 144 N GLU A 11 14.171 23.079 19.465 1.00 0.00 N ATOM 145 CA GLU A 11 13.086 23.467 18.596 1.00 0.00 C ATOM 146 C GLU A 11 11.823 23.669 19.412 1.00 0.00 C ATOM 147 O GLU A 11 11.542 22.903 20.331 1.00 0.00 O ATOM 148 CB GLU A 11 12.881 22.402 17.510 1.00 0.00 C ATOM 149 CG GLU A 11 11.674 22.634 16.626 1.00 0.00 C ATOM 150 CD GLU A 11 11.746 21.856 15.337 1.00 0.00 C ATOM 151 OE1 GLU A 11 11.513 20.629 15.361 1.00 0.00 O ATOM 152 OE2 GLU A 11 12.036 22.470 14.291 1.00 0.00 O ATOM 0 H GLU A 11 13.890 22.471 20.234 1.00 0.00 H new ATOM 0 HA GLU A 11 13.329 24.409 18.105 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.772 22.363 16.884 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.784 21.427 17.988 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.771 22.351 17.167 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.591 23.697 16.401 1.00 0.00 H new ATOM 159 N ASP A 12 11.065 24.703 19.089 1.00 0.00 N ATOM 160 CA ASP A 12 9.854 25.024 19.842 1.00 0.00 C ATOM 161 C ASP A 12 8.690 24.119 19.450 1.00 0.00 C ATOM 162 O ASP A 12 7.754 23.923 20.224 1.00 0.00 O ATOM 163 CB ASP A 12 9.470 26.492 19.638 1.00 0.00 C ATOM 164 CG ASP A 12 8.307 26.923 20.514 1.00 0.00 C ATOM 165 OD1 ASP A 12 8.530 27.195 21.713 1.00 0.00 O ATOM 166 OD2 ASP A 12 7.168 27.002 20.006 1.00 0.00 O ATOM 0 H ASP A 12 11.262 25.336 18.314 1.00 0.00 H new ATOM 0 HA ASP A 12 10.070 24.854 20.897 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.333 27.122 19.852 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.210 26.653 18.592 1.00 0.00 H new ATOM 171 N LEU A 13 8.757 23.549 18.249 1.00 0.00 N ATOM 172 CA LEU A 13 7.690 22.683 17.749 1.00 0.00 C ATOM 173 C LEU A 13 7.524 21.433 18.602 1.00 0.00 C ATOM 174 O LEU A 13 6.605 21.343 19.420 1.00 0.00 O ATOM 175 CB LEU A 13 7.941 22.278 16.294 1.00 0.00 C ATOM 176 CG LEU A 13 7.919 23.407 15.266 1.00 0.00 C ATOM 177 CD1 LEU A 13 8.157 22.854 13.873 1.00 0.00 C ATOM 178 CD2 LEU A 13 6.599 24.153 15.321 1.00 0.00 C ATOM 0 H LEU A 13 9.538 23.671 17.604 1.00 0.00 H new ATOM 0 HA LEU A 13 6.769 23.263 17.806 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.911 21.783 16.239 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.190 21.541 16.009 1.00 0.00 H new ATOM 0 HG LEU A 13 8.719 24.108 15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.139 23.669 13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.128 22.360 13.839 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.375 22.135 13.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.602 24.954 14.581 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.782 23.464 15.106 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.463 24.578 16.315 1.00 0.00 H new ATOM 190 N GLY A 14 8.413 20.463 18.421 1.00 0.00 N ATOM 191 CA GLY A 14 8.292 19.216 19.143 1.00 0.00 C ATOM 192 C GLY A 14 7.085 18.452 18.674 1.00 0.00 C ATOM 193 O GLY A 14 6.043 18.453 19.339 1.00 0.00 O ATOM 0 H GLY A 14 9.212 20.520 17.789 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.190 18.615 18.996 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.212 19.414 20.212 1.00 0.00 H new ATOM 197 N ASP A 15 7.198 17.810 17.514 1.00 0.00 N ATOM 198 CA ASP A 15 6.081 17.090 16.918 1.00 0.00 C ATOM 199 C ASP A 15 5.589 15.987 17.832 1.00 0.00 C ATOM 200 O ASP A 15 6.374 15.336 18.534 1.00 0.00 O ATOM 201 CB ASP A 15 6.483 16.510 15.563 1.00 0.00 C ATOM 202 CG ASP A 15 5.302 15.948 14.793 1.00 0.00 C ATOM 203 OD1 ASP A 15 4.343 16.709 14.531 1.00 0.00 O ATOM 204 OD2 ASP A 15 5.333 14.756 14.437 1.00 0.00 O ATOM 0 H ASP A 15 8.058 17.775 16.967 1.00 0.00 H new ATOM 0 HA ASP A 15 5.266 17.799 16.773 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.963 17.287 14.968 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.221 15.722 15.714 1.00 0.00 H new ATOM 209 N LYS A 16 4.297 15.777 17.834 1.00 0.00 N ATOM 210 CA LYS A 16 3.682 14.785 18.685 1.00 0.00 C ATOM 211 C LYS A 16 3.623 13.443 17.969 1.00 0.00 C ATOM 212 O LYS A 16 4.296 13.239 16.958 1.00 0.00 O ATOM 213 CB LYS A 16 2.285 15.252 19.093 1.00 0.00 C ATOM 214 CG LYS A 16 2.244 16.693 19.601 1.00 0.00 C ATOM 215 CD LYS A 16 3.141 16.902 20.816 1.00 0.00 C ATOM 216 CE LYS A 16 3.082 18.345 21.292 1.00 0.00 C ATOM 217 NZ LYS A 16 3.951 18.583 22.470 1.00 0.00 N ATOM 0 H LYS A 16 3.639 16.289 17.246 1.00 0.00 H new ATOM 0 HA LYS A 16 4.281 14.659 19.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.616 15.158 18.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.903 14.591 19.871 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.554 17.367 18.802 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.218 16.956 19.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.830 16.236 21.621 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.169 16.640 20.564 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.385 19.006 20.480 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.053 18.601 21.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.879 19.579 22.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.647 17.972 23.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.938 18.365 22.223 1.00 0.00 H new ATOM 231 N LYS A 17 2.849 12.517 18.490 1.00 0.00 N ATOM 232 CA LYS A 17 2.740 11.222 17.884 1.00 0.00 C ATOM 233 C LYS A 17 1.775 11.248 16.694 1.00 0.00 C ATOM 234 O LYS A 17 0.961 12.168 16.557 1.00 0.00 O ATOM 235 CB LYS A 17 2.295 10.188 18.906 1.00 0.00 C ATOM 236 CG LYS A 17 2.718 8.803 18.524 1.00 0.00 C ATOM 237 CD LYS A 17 2.275 7.760 19.518 1.00 0.00 C ATOM 238 CE LYS A 17 2.792 6.387 19.123 1.00 0.00 C ATOM 239 NZ LYS A 17 2.248 5.931 17.814 1.00 0.00 N ATOM 0 H LYS A 17 2.288 12.643 19.333 1.00 0.00 H new ATOM 0 HA LYS A 17 3.726 10.942 17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.713 10.439 19.881 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.210 10.221 19.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.308 8.561 17.544 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.804 8.772 18.432 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.640 8.019 20.512 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.187 7.742 19.573 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.881 6.412 19.072 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.526 5.665 19.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.262 4.892 17.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.270 6.269 17.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.832 6.314 17.043 1.00 0.00 H new ATOM 253 N GLU A 18 1.899 10.240 15.831 1.00 0.00 N ATOM 254 CA GLU A 18 1.064 10.093 14.629 1.00 0.00 C ATOM 255 C GLU A 18 -0.415 10.332 14.938 1.00 0.00 C ATOM 256 O GLU A 18 -1.027 9.616 15.738 1.00 0.00 O ATOM 257 CB GLU A 18 1.221 8.698 14.001 1.00 0.00 C ATOM 258 CG GLU A 18 2.657 8.258 13.762 1.00 0.00 C ATOM 259 CD GLU A 18 3.302 7.703 15.007 1.00 0.00 C ATOM 260 OE1 GLU A 18 3.135 6.498 15.281 1.00 0.00 O ATOM 261 OE2 GLU A 18 3.957 8.468 15.728 1.00 0.00 O ATOM 0 H GLU A 18 2.586 9.494 15.943 1.00 0.00 H new ATOM 0 HA GLU A 18 1.408 10.847 13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.736 7.968 14.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.689 8.682 13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.677 7.501 12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.239 9.106 13.402 1.00 0.00 H new ATOM 268 N GLY A 19 -0.982 11.339 14.306 1.00 0.00 N ATOM 269 CA GLY A 19 -2.389 11.651 14.498 1.00 0.00 C ATOM 270 C GLY A 19 -2.937 12.467 13.353 1.00 0.00 C ATOM 271 O GLY A 19 -4.078 12.914 13.374 1.00 0.00 O ATOM 0 H GLY A 19 -0.494 11.956 13.656 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.958 10.726 14.592 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.517 12.200 15.431 1.00 0.00 H new ATOM 275 N GLU A 20 -2.118 12.648 12.345 1.00 0.00 N ATOM 276 CA GLU A 20 -2.461 13.424 11.171 1.00 0.00 C ATOM 277 C GLU A 20 -2.320 12.563 9.925 1.00 0.00 C ATOM 278 O GLU A 20 -1.944 13.036 8.854 1.00 0.00 O ATOM 279 CB GLU A 20 -1.552 14.671 11.074 1.00 0.00 C ATOM 280 CG GLU A 20 -0.303 14.633 11.972 1.00 0.00 C ATOM 281 CD GLU A 20 0.690 13.539 11.600 1.00 0.00 C ATOM 282 OE1 GLU A 20 0.472 12.368 11.999 1.00 0.00 O ATOM 283 OE2 GLU A 20 1.689 13.848 10.920 1.00 0.00 O ATOM 0 H GLU A 20 -1.177 12.255 12.314 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.496 13.757 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.234 14.791 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.140 15.552 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.199 15.599 11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.615 14.491 13.007 1.00 0.00 H new ATOM 290 N TYR A 21 -2.643 11.293 10.068 1.00 0.00 N ATOM 291 CA TYR A 21 -2.519 10.345 8.980 1.00 0.00 C ATOM 292 C TYR A 21 -3.885 9.848 8.527 1.00 0.00 C ATOM 293 O TYR A 21 -4.862 9.888 9.279 1.00 0.00 O ATOM 294 CB TYR A 21 -1.644 9.159 9.407 1.00 0.00 C ATOM 295 CG TYR A 21 -2.174 8.409 10.617 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.061 7.350 10.469 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.792 8.765 11.901 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.550 6.670 11.567 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.277 8.087 13.004 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.155 7.042 12.831 1.00 0.00 C ATOM 301 OH TYR A 21 -3.643 6.366 13.928 1.00 0.00 O ATOM 0 H TYR A 21 -2.997 10.891 10.936 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.046 10.855 8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.556 8.465 8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.640 9.521 9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.373 7.054 9.479 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.104 9.586 12.042 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.240 5.850 11.434 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.968 8.377 13.997 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.265 6.752 14.745 1.00 0.00 H new ATOM 311 N ILE A 22 -3.947 9.377 7.302 1.00 0.00 N ATOM 312 CA ILE A 22 -5.172 8.846 6.742 1.00 0.00 C ATOM 313 C ILE A 22 -5.128 7.332 6.701 1.00 0.00 C ATOM 314 O ILE A 22 -4.119 6.704 7.020 1.00 0.00 O ATOM 315 CB ILE A 22 -5.478 9.390 5.331 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.454 8.876 4.326 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.514 10.912 5.347 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.724 9.305 2.899 1.00 0.00 C ATOM 0 H ILE A 22 -3.151 9.351 6.665 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.975 9.178 7.400 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.460 9.031 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.464 9.227 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.432 7.787 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.731 11.281 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.290 11.250 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.547 11.295 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.952 8.900 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.699 8.931 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.716 10.393 2.839 1.00 0.00 H new ATOM 330 N LYS A 23 -6.225 6.746 6.340 1.00 0.00 N ATOM 331 CA LYS A 23 -6.341 5.309 6.289 1.00 0.00 C ATOM 332 C LYS A 23 -6.568 4.871 4.862 1.00 0.00 C ATOM 333 O LYS A 23 -7.154 5.593 4.093 1.00 0.00 O ATOM 334 CB LYS A 23 -7.527 4.872 7.145 1.00 0.00 C ATOM 335 CG LYS A 23 -7.495 5.417 8.565 1.00 0.00 C ATOM 336 CD LYS A 23 -8.885 5.829 9.045 1.00 0.00 C ATOM 337 CE LYS A 23 -9.393 7.064 8.300 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.736 7.498 8.768 1.00 0.00 N ATOM 0 H LYS A 23 -7.073 7.245 6.070 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.425 4.855 6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.450 5.195 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.553 3.783 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.088 4.660 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.825 6.276 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.581 5.003 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.855 6.035 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.684 7.881 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.436 6.848 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.080 8.273 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.398 6.698 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.671 7.827 9.752 1.00 0.00 H new ATOM 352 N LEU A 24 -6.049 3.733 4.485 1.00 0.00 N ATOM 353 CA LEU A 24 -6.334 3.192 3.161 1.00 0.00 C ATOM 354 C LEU A 24 -6.514 1.687 3.207 1.00 0.00 C ATOM 355 O LEU A 24 -6.135 1.023 4.186 1.00 0.00 O ATOM 356 CB LEU A 24 -5.254 3.575 2.130 1.00 0.00 C ATOM 357 CG LEU A 24 -5.182 5.056 1.738 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.164 5.783 2.587 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.858 5.211 0.263 1.00 0.00 C ATOM 0 H LEU A 24 -5.432 3.160 5.061 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.272 3.642 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.283 3.279 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.422 2.990 1.226 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.160 5.502 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.128 6.832 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.447 5.710 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.182 5.332 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.813 6.270 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.895 4.746 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.633 4.729 -0.332 1.00 0.00 H new ATOM 371 N LYS A 25 -7.099 1.144 2.156 1.00 0.00 N ATOM 372 CA LYS A 25 -7.333 -0.279 2.068 1.00 0.00 C ATOM 373 C LYS A 25 -6.959 -0.795 0.697 1.00 0.00 C ATOM 374 O LYS A 25 -7.139 -0.117 -0.310 1.00 0.00 O ATOM 375 CB LYS A 25 -8.794 -0.606 2.380 1.00 0.00 C ATOM 376 CG LYS A 25 -9.086 -2.100 2.457 1.00 0.00 C ATOM 377 CD LYS A 25 -9.945 -2.581 1.300 1.00 0.00 C ATOM 378 CE LYS A 25 -11.341 -1.974 1.366 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.302 -2.656 0.469 1.00 0.00 N ATOM 0 H LYS A 25 -7.422 1.675 1.347 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.704 -0.774 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.066 -0.143 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.428 -0.160 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.146 -2.652 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.591 -2.321 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.472 -2.312 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.016 -3.668 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.707 -2.026 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.287 -0.918 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.270 -2.359 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.095 -2.402 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.216 -3.686 0.587 1.00 0.00 H new ATOM 393 N VAL A 26 -6.430 -1.993 0.657 1.00 0.00 N ATOM 394 CA VAL A 26 -6.031 -2.603 -0.589 1.00 0.00 C ATOM 395 C VAL A 26 -6.877 -3.819 -0.889 1.00 0.00 C ATOM 396 O VAL A 26 -7.255 -4.563 0.014 1.00 0.00 O ATOM 397 CB VAL A 26 -4.516 -2.979 -0.569 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.248 -4.328 -1.235 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.713 -1.895 -1.255 1.00 0.00 C ATOM 0 H VAL A 26 -6.264 -2.570 1.481 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.188 -1.873 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.210 -3.065 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.181 -4.547 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.798 -5.109 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.574 -4.292 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.656 -2.160 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.047 -1.794 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.857 -0.949 -0.733 1.00 0.00 H new ATOM 409 N ILE A 27 -7.197 -4.011 -2.153 1.00 0.00 N ATOM 410 CA ILE A 27 -7.929 -5.179 -2.577 1.00 0.00 C ATOM 411 C ILE A 27 -7.007 -6.054 -3.395 1.00 0.00 C ATOM 412 O ILE A 27 -6.759 -5.786 -4.576 1.00 0.00 O ATOM 413 CB ILE A 27 -9.166 -4.817 -3.436 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.165 -3.993 -2.625 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.831 -6.085 -3.968 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.756 -4.741 -1.458 1.00 0.00 C ATOM 0 H ILE A 27 -6.958 -3.366 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.284 -5.696 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.833 -4.215 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.669 -3.095 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.971 -3.665 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.699 -5.816 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.121 -6.638 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.149 -6.708 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.456 -4.095 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.281 -5.625 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.959 -5.046 -0.780 1.00 0.00 H new ATOM 428 N GLY A 28 -6.433 -7.061 -2.762 1.00 0.00 N ATOM 429 CA GLY A 28 -5.564 -7.963 -3.460 1.00 0.00 C ATOM 430 C GLY A 28 -6.260 -8.797 -4.503 1.00 0.00 C ATOM 431 O GLY A 28 -7.482 -8.923 -4.514 1.00 0.00 O ATOM 0 H GLY A 28 -6.558 -7.266 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.770 -7.390 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.088 -8.626 -2.737 1.00 0.00 H new ATOM 435 N GLN A 29 -5.459 -9.396 -5.356 1.00 0.00 N ATOM 436 CA GLN A 29 -5.913 -10.274 -6.438 1.00 0.00 C ATOM 437 C GLN A 29 -6.756 -11.453 -5.922 1.00 0.00 C ATOM 438 O GLN A 29 -7.506 -12.069 -6.672 1.00 0.00 O ATOM 439 CB GLN A 29 -4.691 -10.799 -7.233 1.00 0.00 C ATOM 440 CG GLN A 29 -3.363 -10.689 -6.469 1.00 0.00 C ATOM 441 CD GLN A 29 -3.390 -11.418 -5.134 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.942 -12.503 -5.020 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.858 -10.788 -4.104 1.00 0.00 N ATOM 0 H GLN A 29 -4.445 -9.290 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.555 -9.684 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.862 -11.842 -7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.610 -10.242 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.560 -11.096 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.133 -9.637 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.405 -9.884 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.899 -11.205 -3.174 1.00 0.00 H new ATOM 452 N ASP A 30 -6.630 -11.752 -4.639 1.00 0.00 N ATOM 453 CA ASP A 30 -7.354 -12.861 -4.014 1.00 0.00 C ATOM 454 C ASP A 30 -8.474 -12.320 -3.124 1.00 0.00 C ATOM 455 O ASP A 30 -9.051 -13.037 -2.311 1.00 0.00 O ATOM 456 CB ASP A 30 -6.366 -13.698 -3.186 1.00 0.00 C ATOM 457 CG ASP A 30 -6.947 -14.998 -2.670 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.075 -15.952 -3.465 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.262 -15.075 -1.466 1.00 0.00 O ATOM 0 H ASP A 30 -6.026 -11.238 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.803 -13.489 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.491 -13.919 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.022 -13.104 -2.340 1.00 0.00 H new ATOM 464 N SER A 31 -8.767 -11.025 -3.291 1.00 0.00 N ATOM 465 CA SER A 31 -9.784 -10.317 -2.499 1.00 0.00 C ATOM 466 C SER A 31 -9.219 -10.072 -1.125 1.00 0.00 C ATOM 467 O SER A 31 -9.930 -9.892 -0.133 1.00 0.00 O ATOM 468 CB SER A 31 -11.112 -11.097 -2.434 1.00 0.00 C ATOM 469 OG SER A 31 -11.667 -11.276 -3.732 1.00 0.00 O ATOM 0 H SER A 31 -8.304 -10.435 -3.982 1.00 0.00 H new ATOM 0 HA SER A 31 -10.020 -9.367 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.944 -12.069 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.821 -10.561 -1.803 1.00 0.00 H new ATOM 0 HG SER A 31 -12.508 -11.775 -3.662 1.00 0.00 H new ATOM 475 N SER A 32 -7.909 -10.065 -1.095 1.00 0.00 N ATOM 476 CA SER A 32 -7.128 -9.837 0.076 1.00 0.00 C ATOM 477 C SER A 32 -7.226 -8.367 0.507 1.00 0.00 C ATOM 478 O SER A 32 -6.479 -7.517 0.019 1.00 0.00 O ATOM 479 CB SER A 32 -5.696 -10.203 -0.268 1.00 0.00 C ATOM 480 OG SER A 32 -5.644 -11.473 -0.907 1.00 0.00 O ATOM 0 H SER A 32 -7.342 -10.226 -1.927 1.00 0.00 H new ATOM 0 HA SER A 32 -7.488 -10.441 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.268 -9.443 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.092 -10.221 0.639 1.00 0.00 H new ATOM 0 HG SER A 32 -4.714 -11.693 -1.123 1.00 0.00 H new ATOM 486 N GLU A 33 -8.184 -8.061 1.376 1.00 0.00 N ATOM 487 CA GLU A 33 -8.374 -6.697 1.853 1.00 0.00 C ATOM 488 C GLU A 33 -7.432 -6.389 2.993 1.00 0.00 C ATOM 489 O GLU A 33 -7.596 -6.882 4.108 1.00 0.00 O ATOM 490 CB GLU A 33 -9.811 -6.470 2.308 1.00 0.00 C ATOM 491 CG GLU A 33 -10.858 -6.876 1.287 1.00 0.00 C ATOM 492 CD GLU A 33 -12.226 -6.339 1.625 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.446 -5.121 1.462 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.089 -7.123 2.065 1.00 0.00 O ATOM 0 H GLU A 33 -8.840 -8.739 1.764 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.157 -6.028 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.981 -7.029 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.942 -5.415 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.561 -6.514 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.902 -7.963 1.227 1.00 0.00 H new ATOM 501 N ILE A 34 -6.437 -5.586 2.720 1.00 0.00 N ATOM 502 CA ILE A 34 -5.483 -5.191 3.733 1.00 0.00 C ATOM 503 C ILE A 34 -5.787 -3.767 4.177 1.00 0.00 C ATOM 504 O ILE A 34 -6.098 -2.909 3.352 1.00 0.00 O ATOM 505 CB ILE A 34 -4.030 -5.256 3.195 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.767 -6.602 2.496 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.033 -5.040 4.328 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.893 -7.808 3.404 1.00 0.00 C ATOM 0 H ILE A 34 -6.262 -5.188 1.797 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.569 -5.881 4.573 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.901 -4.460 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.466 -6.711 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.765 -6.587 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.018 -5.089 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.201 -4.062 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.167 -5.815 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.692 -8.715 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.175 -7.726 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.903 -7.852 3.813 1.00 0.00 H new ATOM 520 N HIS A 35 -5.714 -3.509 5.472 1.00 0.00 N ATOM 521 CA HIS A 35 -5.987 -2.180 6.006 1.00 0.00 C ATOM 522 C HIS A 35 -4.728 -1.619 6.625 1.00 0.00 C ATOM 523 O HIS A 35 -4.036 -2.307 7.371 1.00 0.00 O ATOM 524 CB HIS A 35 -7.104 -2.222 7.061 1.00 0.00 C ATOM 525 CG HIS A 35 -8.467 -2.532 6.517 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.618 -1.958 7.006 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.862 -3.375 5.537 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.659 -2.433 6.353 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.230 -3.296 5.457 1.00 0.00 N ATOM 0 H HIS A 35 -5.467 -4.203 6.177 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.317 -1.542 5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.848 -2.970 7.812 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.141 -1.259 7.570 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.220 -3.996 4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.690 -2.160 6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.818 -3.820 4.809 1.00 0.00 H new ATOM 538 N PHE A 36 -4.419 -0.381 6.320 1.00 0.00 N ATOM 539 CA PHE A 36 -3.207 0.252 6.822 1.00 0.00 C ATOM 540 C PHE A 36 -3.426 1.738 7.061 1.00 0.00 C ATOM 541 O PHE A 36 -4.413 2.322 6.597 1.00 0.00 O ATOM 542 CB PHE A 36 -2.043 0.015 5.848 1.00 0.00 C ATOM 543 CG PHE A 36 -2.492 -0.115 4.428 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.826 0.996 3.687 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.609 -1.366 3.843 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.264 0.864 2.391 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.051 -1.496 2.549 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.377 -0.379 1.825 1.00 0.00 C ATOM 0 H PHE A 36 -4.990 0.217 5.723 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.952 -0.201 7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.336 0.841 5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.510 -0.890 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.743 1.979 4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.350 -2.248 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.520 1.742 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.141 -2.476 2.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.723 -0.478 0.807 1.00 0.00 H new ATOM 558 N LYS A 37 -2.511 2.351 7.788 1.00 0.00 N ATOM 559 CA LYS A 37 -2.616 3.757 8.138 1.00 0.00 C ATOM 560 C LYS A 37 -1.370 4.504 7.669 1.00 0.00 C ATOM 561 O LYS A 37 -0.264 4.245 8.150 1.00 0.00 O ATOM 562 CB LYS A 37 -2.751 3.909 9.660 1.00 0.00 C ATOM 563 CG LYS A 37 -3.679 2.900 10.329 1.00 0.00 C ATOM 564 CD LYS A 37 -5.130 3.099 9.937 1.00 0.00 C ATOM 565 CE LYS A 37 -6.008 2.038 10.578 1.00 0.00 C ATOM 566 NZ LYS A 37 -7.443 2.217 10.245 1.00 0.00 N ATOM 0 H LYS A 37 -1.676 1.891 8.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.497 4.175 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.761 3.822 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.113 4.914 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.368 1.891 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.583 2.985 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.463 4.090 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.229 3.054 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.681 1.052 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.882 2.070 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.998 1.451 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.773 3.132 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.565 2.194 9.212 1.00 0.00 H new ATOM 580 N VAL A 38 -1.533 5.425 6.736 1.00 0.00 N ATOM 581 CA VAL A 38 -0.401 6.195 6.222 1.00 0.00 C ATOM 582 C VAL A 38 -0.777 7.666 6.090 1.00 0.00 C ATOM 583 O VAL A 38 -1.940 8.005 5.944 1.00 0.00 O ATOM 584 CB VAL A 38 0.113 5.664 4.847 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.494 4.193 4.928 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.912 5.890 3.752 1.00 0.00 C ATOM 0 H VAL A 38 -2.432 5.662 6.317 1.00 0.00 H new ATOM 0 HA VAL A 38 0.408 6.080 6.943 1.00 0.00 H new ATOM 0 HB VAL A 38 1.009 6.231 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.848 3.855 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.285 4.062 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.377 3.607 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.525 5.510 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.834 5.366 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.115 6.957 3.658 1.00 0.00 H new ATOM 596 N LYS A 39 0.199 8.544 6.147 1.00 0.00 N ATOM 597 CA LYS A 39 -0.072 9.969 6.059 1.00 0.00 C ATOM 598 C LYS A 39 -0.254 10.408 4.596 1.00 0.00 C ATOM 599 O LYS A 39 0.135 9.700 3.675 1.00 0.00 O ATOM 600 CB LYS A 39 1.045 10.765 6.734 1.00 0.00 C ATOM 601 CG LYS A 39 0.708 12.222 6.908 1.00 0.00 C ATOM 602 CD LYS A 39 1.769 12.965 7.670 1.00 0.00 C ATOM 603 CE LYS A 39 1.394 14.426 7.809 1.00 0.00 C ATOM 604 NZ LYS A 39 2.315 15.154 8.716 1.00 0.00 N ATOM 0 H LYS A 39 1.184 8.302 6.253 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.005 10.173 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.256 10.328 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.956 10.677 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.578 12.682 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.243 12.313 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.896 12.520 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.725 12.876 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.405 14.898 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.375 14.504 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.153 16.177 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.140 14.860 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.299 14.936 8.460 1.00 0.00 H new ATOM 618 N MET A 40 -0.841 11.587 4.380 1.00 0.00 N ATOM 619 CA MET A 40 -1.104 12.074 3.023 1.00 0.00 C ATOM 620 C MET A 40 0.179 12.418 2.283 1.00 0.00 C ATOM 621 O MET A 40 0.319 12.130 1.099 1.00 0.00 O ATOM 622 CB MET A 40 -2.025 13.304 3.041 1.00 0.00 C ATOM 623 CG MET A 40 -3.477 12.994 3.365 1.00 0.00 C ATOM 624 SD MET A 40 -4.580 13.243 1.953 1.00 0.00 S ATOM 625 CE MET A 40 -3.800 12.209 0.718 1.00 0.00 C ATOM 0 H MET A 40 -1.142 12.219 5.122 1.00 0.00 H new ATOM 0 HA MET A 40 -1.601 11.260 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.646 14.017 3.774 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.978 13.792 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.556 11.961 3.704 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.803 13.626 4.191 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.233 12.420 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.730 12.416 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.961 11.160 0.967 1.00 0.00 H new ATOM 635 N THR A 41 1.123 13.012 2.983 1.00 0.00 N ATOM 636 CA THR A 41 2.355 13.470 2.366 1.00 0.00 C ATOM 637 C THR A 41 3.469 12.408 2.458 1.00 0.00 C ATOM 638 O THR A 41 4.643 12.687 2.188 1.00 0.00 O ATOM 639 CB THR A 41 2.825 14.802 3.021 1.00 0.00 C ATOM 640 OG1 THR A 41 3.924 15.364 2.293 1.00 0.00 O ATOM 641 CG2 THR A 41 3.231 14.583 4.474 1.00 0.00 C ATOM 0 H THR A 41 1.062 13.191 3.985 1.00 0.00 H new ATOM 0 HA THR A 41 2.150 13.644 1.310 1.00 0.00 H new ATOM 0 HB THR A 41 1.987 15.498 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.491 14.643 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.555 15.529 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.380 14.199 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.049 13.864 4.519 1.00 0.00 H new ATOM 649 N THR A 42 3.105 11.185 2.807 1.00 0.00 N ATOM 650 CA THR A 42 4.092 10.130 2.938 1.00 0.00 C ATOM 651 C THR A 42 4.220 9.357 1.627 1.00 0.00 C ATOM 652 O THR A 42 3.365 9.462 0.745 1.00 0.00 O ATOM 653 CB THR A 42 3.742 9.152 4.095 1.00 0.00 C ATOM 654 OG1 THR A 42 4.922 8.467 4.540 1.00 0.00 O ATOM 655 CG2 THR A 42 2.714 8.119 3.651 1.00 0.00 C ATOM 0 H THR A 42 2.145 10.902 3.002 1.00 0.00 H new ATOM 0 HA THR A 42 5.045 10.603 3.175 1.00 0.00 H new ATOM 0 HB THR A 42 3.324 9.743 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.774 8.113 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.489 7.449 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.802 8.626 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.115 7.542 2.818 1.00 0.00 H new ATOM 663 N HIS A 43 5.287 8.586 1.488 1.00 0.00 N ATOM 664 CA HIS A 43 5.491 7.793 0.291 1.00 0.00 C ATOM 665 C HIS A 43 4.615 6.555 0.299 1.00 0.00 C ATOM 666 O HIS A 43 4.455 5.890 1.320 1.00 0.00 O ATOM 667 CB HIS A 43 6.961 7.402 0.118 1.00 0.00 C ATOM 668 CG HIS A 43 7.790 8.437 -0.581 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.131 8.275 -0.845 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.457 9.645 -1.091 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.585 9.334 -1.482 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.588 10.180 -1.644 1.00 0.00 N ATOM 0 H HIS A 43 6.022 8.494 2.189 1.00 0.00 H new ATOM 0 HA HIS A 43 5.205 8.414 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.393 7.208 1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.014 6.469 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.479 10.102 -1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.601 9.484 -1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.650 11.087 -2.107 1.00 0.00 H new ATOM 681 N LEU A 44 4.065 6.238 -0.854 1.00 0.00 N ATOM 682 CA LEU A 44 3.183 5.092 -1.025 1.00 0.00 C ATOM 683 C LEU A 44 3.986 3.813 -0.905 1.00 0.00 C ATOM 684 O LEU A 44 3.441 2.738 -0.685 1.00 0.00 O ATOM 685 CB LEU A 44 2.520 5.156 -2.416 1.00 0.00 C ATOM 686 CG LEU A 44 1.009 4.882 -2.491 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.678 3.477 -2.048 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.238 5.890 -1.670 1.00 0.00 C ATOM 0 H LEU A 44 4.216 6.771 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 44 2.412 5.109 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.704 6.147 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.025 4.439 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 44 0.710 4.983 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.398 3.319 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.190 2.762 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.003 3.334 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.829 5.676 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.554 5.829 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.432 6.893 -2.050 1.00 0.00 H new ATOM 700 N LYS A 45 5.300 3.939 -1.041 1.00 0.00 N ATOM 701 CA LYS A 45 6.194 2.803 -0.984 1.00 0.00 C ATOM 702 C LYS A 45 6.000 1.988 0.290 1.00 0.00 C ATOM 703 O LYS A 45 5.885 0.771 0.231 1.00 0.00 O ATOM 704 CB LYS A 45 7.651 3.251 -1.149 1.00 0.00 C ATOM 705 CG LYS A 45 8.182 4.139 -0.034 1.00 0.00 C ATOM 706 CD LYS A 45 8.961 3.328 1.006 1.00 0.00 C ATOM 707 CE LYS A 45 10.208 2.689 0.407 1.00 0.00 C ATOM 708 NZ LYS A 45 10.785 1.645 1.300 1.00 0.00 N ATOM 0 H LYS A 45 5.769 4.832 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 45 5.946 2.146 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.282 2.365 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.746 3.785 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.829 4.908 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.351 4.652 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.247 3.977 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.317 2.551 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.960 2.245 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.956 3.460 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.475 1.077 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.259 2.101 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.024 1.028 1.649 1.00 0.00 H new ATOM 722 N LYS A 46 5.908 2.669 1.441 1.00 0.00 N ATOM 723 CA LYS A 46 5.750 1.996 2.731 1.00 0.00 C ATOM 724 C LYS A 46 4.435 1.235 2.780 1.00 0.00 C ATOM 725 O LYS A 46 4.309 0.212 3.447 1.00 0.00 O ATOM 726 CB LYS A 46 5.829 3.014 3.883 1.00 0.00 C ATOM 727 CG LYS A 46 4.736 4.081 3.853 1.00 0.00 C ATOM 728 CD LYS A 46 4.990 5.181 4.873 1.00 0.00 C ATOM 729 CE LYS A 46 4.875 4.680 6.307 1.00 0.00 C ATOM 730 NZ LYS A 46 3.470 4.395 6.693 1.00 0.00 N ATOM 0 H LYS A 46 5.941 3.687 1.501 1.00 0.00 H new ATOM 0 HA LYS A 46 6.564 1.280 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.772 2.478 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.802 3.505 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.681 4.517 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.770 3.617 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.985 5.597 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.277 5.991 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.472 3.775 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.292 5.425 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.402 4.322 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.855 5.165 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.167 3.498 6.262 1.00 0.00 H new ATOM 744 N LEU A 47 3.462 1.744 2.066 1.00 0.00 N ATOM 745 CA LEU A 47 2.150 1.149 1.983 1.00 0.00 C ATOM 746 C LEU A 47 2.204 -0.129 1.138 1.00 0.00 C ATOM 747 O LEU A 47 1.711 -1.183 1.545 1.00 0.00 O ATOM 748 CB LEU A 47 1.200 2.182 1.358 1.00 0.00 C ATOM 749 CG LEU A 47 -0.294 1.845 1.297 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.100 3.123 1.118 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.595 0.882 0.149 1.00 0.00 C ATOM 0 H LEU A 47 3.560 2.598 1.517 1.00 0.00 H new ATOM 0 HA LEU A 47 1.791 0.873 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.309 3.114 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.540 2.375 0.341 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.574 1.360 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.162 2.880 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.914 3.791 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.802 3.614 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.662 0.661 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.302 1.340 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.035 -0.042 0.293 1.00 0.00 H new ATOM 763 N LYS A 48 2.824 -0.027 -0.036 1.00 0.00 N ATOM 764 CA LYS A 48 2.926 -1.152 -0.973 1.00 0.00 C ATOM 765 C LYS A 48 3.630 -2.332 -0.319 1.00 0.00 C ATOM 766 O LYS A 48 3.167 -3.469 -0.385 1.00 0.00 O ATOM 767 CB LYS A 48 3.709 -0.740 -2.225 1.00 0.00 C ATOM 768 CG LYS A 48 3.306 0.602 -2.804 1.00 0.00 C ATOM 769 CD LYS A 48 4.419 1.191 -3.661 1.00 0.00 C ATOM 770 CE LYS A 48 4.573 0.464 -4.969 1.00 0.00 C ATOM 771 NZ LYS A 48 5.829 0.838 -5.659 1.00 0.00 N ATOM 0 H LYS A 48 3.268 0.830 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 48 1.914 -1.443 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.771 -0.712 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.577 -1.506 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.404 0.485 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.063 1.291 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.209 2.243 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.359 1.150 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.562 -0.611 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.723 0.689 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.263 -0.011 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.620 1.524 -6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.487 1.264 -4.976 1.00 0.00 H new ATOM 785 N GLU A 49 4.738 -2.049 0.334 1.00 0.00 N ATOM 786 CA GLU A 49 5.522 -3.086 0.992 1.00 0.00 C ATOM 787 C GLU A 49 4.786 -3.623 2.216 1.00 0.00 C ATOM 788 O GLU A 49 4.898 -4.803 2.551 1.00 0.00 O ATOM 789 CB GLU A 49 6.913 -2.560 1.383 1.00 0.00 C ATOM 790 CG GLU A 49 6.881 -1.215 2.079 1.00 0.00 C ATOM 791 CD GLU A 49 8.204 -0.813 2.688 1.00 0.00 C ATOM 792 OE1 GLU A 49 9.130 -0.435 1.941 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.321 -0.856 3.929 1.00 0.00 O ATOM 0 H GLU A 49 5.121 -1.108 0.426 1.00 0.00 H new ATOM 0 HA GLU A 49 5.657 -3.905 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.396 -3.286 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.527 -2.481 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.575 -0.453 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.123 -1.239 2.862 1.00 0.00 H new ATOM 800 N SER A 50 4.003 -2.760 2.867 1.00 0.00 N ATOM 801 CA SER A 50 3.260 -3.137 4.060 1.00 0.00 C ATOM 802 C SER A 50 2.165 -4.148 3.735 1.00 0.00 C ATOM 803 O SER A 50 2.019 -5.167 4.411 1.00 0.00 O ATOM 804 CB SER A 50 2.647 -1.898 4.726 1.00 0.00 C ATOM 805 OG SER A 50 2.026 -2.228 5.962 1.00 0.00 O ATOM 0 H SER A 50 3.870 -1.790 2.581 1.00 0.00 H new ATOM 0 HA SER A 50 3.961 -3.604 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.424 -1.152 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.913 -1.449 4.057 1.00 0.00 H new ATOM 0 HG SER A 50 1.646 -1.419 6.364 1.00 0.00 H new ATOM 811 N TYR A 51 1.408 -3.905 2.682 1.00 0.00 N ATOM 812 CA TYR A 51 0.316 -4.795 2.368 1.00 0.00 C ATOM 813 C TYR A 51 0.843 -6.080 1.740 1.00 0.00 C ATOM 814 O TYR A 51 0.288 -7.161 1.948 1.00 0.00 O ATOM 815 CB TYR A 51 -0.749 -4.108 1.484 1.00 0.00 C ATOM 816 CG TYR A 51 -0.511 -4.179 -0.012 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.888 -5.301 -0.733 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.062 -3.123 -0.699 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.698 -5.373 -2.093 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.260 -3.189 -2.065 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.124 -4.317 -2.755 1.00 0.00 C ATOM 822 OH TYR A 51 0.065 -4.386 -4.110 1.00 0.00 O ATOM 0 H TYR A 51 1.527 -3.117 2.045 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.186 -5.060 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.718 -4.557 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.812 -3.059 1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.340 -6.135 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.358 -2.235 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.999 -6.256 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.713 -2.360 -2.589 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.600 -4.989 -4.503 1.00 0.00 H new ATOM 832 N CYS A 52 1.942 -5.972 0.991 1.00 0.00 N ATOM 833 CA CYS A 52 2.550 -7.134 0.361 1.00 0.00 C ATOM 834 C CYS A 52 3.034 -8.120 1.402 1.00 0.00 C ATOM 835 O CYS A 52 2.806 -9.330 1.287 1.00 0.00 O ATOM 836 CB CYS A 52 3.704 -6.723 -0.551 1.00 0.00 C ATOM 837 SG CYS A 52 3.188 -5.871 -2.055 1.00 0.00 S ATOM 0 H CYS A 52 2.424 -5.092 0.809 1.00 0.00 H new ATOM 0 HA CYS A 52 1.786 -7.618 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.380 -6.075 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.270 -7.613 -0.827 1.00 0.00 H new ATOM 0 HG CYS A 52 3.002 -4.610 -1.798 1.00 0.00 H new ATOM 843 N GLN A 53 3.674 -7.611 2.449 1.00 0.00 N ATOM 844 CA GLN A 53 4.181 -8.477 3.493 1.00 0.00 C ATOM 845 C GLN A 53 3.034 -9.095 4.272 1.00 0.00 C ATOM 846 O GLN A 53 3.133 -10.232 4.734 1.00 0.00 O ATOM 847 CB GLN A 53 5.144 -7.742 4.436 1.00 0.00 C ATOM 848 CG GLN A 53 4.530 -6.575 5.180 1.00 0.00 C ATOM 849 CD GLN A 53 5.491 -5.927 6.152 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.707 -5.934 5.947 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.959 -5.367 7.217 1.00 0.00 N ATOM 0 H GLN A 53 3.850 -6.616 2.592 1.00 0.00 H new ATOM 0 HA GLN A 53 4.749 -9.272 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.534 -8.454 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.993 -7.380 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.191 -5.830 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.649 -6.919 5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.948 -5.383 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.558 -4.917 7.910 1.00 0.00 H new ATOM 860 N ARG A 54 1.932 -8.346 4.427 1.00 0.00 N ATOM 861 CA ARG A 54 0.749 -8.859 5.107 1.00 0.00 C ATOM 862 C ARG A 54 0.231 -10.121 4.430 1.00 0.00 C ATOM 863 O ARG A 54 -0.120 -11.100 5.088 1.00 0.00 O ATOM 864 CB ARG A 54 -0.353 -7.793 5.141 1.00 0.00 C ATOM 865 CG ARG A 54 -0.114 -6.665 6.142 1.00 0.00 C ATOM 866 CD ARG A 54 -0.416 -7.100 7.573 1.00 0.00 C ATOM 867 NE ARG A 54 0.499 -8.135 8.054 1.00 0.00 N ATOM 868 CZ ARG A 54 0.139 -9.398 8.312 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.116 -9.791 8.105 1.00 0.00 N ATOM 870 NH2 ARG A 54 1.034 -10.264 8.760 1.00 0.00 N ATOM 0 H ARG A 54 1.842 -7.388 4.090 1.00 0.00 H new ATOM 0 HA ARG A 54 1.033 -9.110 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.455 -7.362 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.301 -8.276 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.922 -6.333 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.740 -5.811 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.357 -6.234 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.439 -7.472 7.627 1.00 0.00 H new ATOM 0 HE ARG A 54 1.475 -7.877 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.806 -9.129 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.388 -10.754 8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.999 -9.969 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.759 -11.226 8.956 1.00 0.00 H new ATOM 884 N GLN A 55 0.195 -10.098 3.111 1.00 0.00 N ATOM 885 CA GLN A 55 -0.264 -11.242 2.330 1.00 0.00 C ATOM 886 C GLN A 55 0.795 -12.338 2.301 1.00 0.00 C ATOM 887 O GLN A 55 0.503 -13.501 2.017 1.00 0.00 O ATOM 888 CB GLN A 55 -0.581 -10.804 0.911 1.00 0.00 C ATOM 889 CG GLN A 55 -1.730 -9.819 0.813 1.00 0.00 C ATOM 890 CD GLN A 55 -1.564 -8.844 -0.334 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.329 -8.459 -0.604 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.538 -8.419 -0.956 1.00 0.00 N flip ATOM 0 H GLN A 55 0.480 -9.295 2.550 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.164 -11.639 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.309 -10.353 0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.819 -11.685 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.664 -10.367 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.809 -9.264 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.476 -8.741 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.407 -7.745 -1.710 1.00 0.00 H new ATOM 901 N GLY A 56 2.033 -11.962 2.581 1.00 0.00 N ATOM 902 CA GLY A 56 3.119 -12.916 2.586 1.00 0.00 C ATOM 903 C GLY A 56 3.615 -13.218 1.191 1.00 0.00 C ATOM 904 O GLY A 56 4.108 -14.311 0.916 1.00 0.00 O ATOM 0 H GLY A 56 2.305 -11.005 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.941 -12.526 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.788 -13.840 3.061 1.00 0.00 H new ATOM 908 N VAL A 57 3.492 -12.250 0.299 1.00 0.00 N ATOM 909 CA VAL A 57 3.905 -12.436 -1.082 1.00 0.00 C ATOM 910 C VAL A 57 4.810 -11.300 -1.538 1.00 0.00 C ATOM 911 O VAL A 57 4.692 -10.170 -1.056 1.00 0.00 O ATOM 912 CB VAL A 57 2.688 -12.538 -2.043 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.821 -13.734 -1.691 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.868 -11.258 -2.023 1.00 0.00 C ATOM 0 H VAL A 57 3.110 -11.327 0.506 1.00 0.00 H new ATOM 0 HA VAL A 57 4.455 -13.376 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 57 3.071 -12.678 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.975 -13.785 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.410 -14.647 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.454 -13.629 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.023 -11.357 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.501 -11.077 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.492 -10.421 -2.338 1.00 0.00 H new ATOM 924 N PRO A 58 5.741 -11.591 -2.452 1.00 0.00 N ATOM 925 CA PRO A 58 6.649 -10.588 -2.989 1.00 0.00 C ATOM 926 C PRO A 58 5.921 -9.539 -3.837 1.00 0.00 C ATOM 927 O PRO A 58 4.904 -9.823 -4.479 1.00 0.00 O ATOM 928 CB PRO A 58 7.626 -11.395 -3.844 1.00 0.00 C ATOM 929 CG PRO A 58 6.912 -12.657 -4.168 1.00 0.00 C ATOM 930 CD PRO A 58 5.988 -12.928 -3.019 1.00 0.00 C ATOM 0 HA PRO A 58 7.138 -10.021 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.897 -10.853 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.551 -11.594 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.355 -12.560 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.616 -13.478 -4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.063 -13.400 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.443 -13.596 -2.288 1.00 0.00 H new ATOM 938 N MET A 59 6.471 -8.335 -3.862 1.00 0.00 N ATOM 939 CA MET A 59 5.873 -7.197 -4.572 1.00 0.00 C ATOM 940 C MET A 59 5.965 -7.369 -6.090 1.00 0.00 C ATOM 941 O MET A 59 5.381 -6.606 -6.856 1.00 0.00 O ATOM 942 CB MET A 59 6.578 -5.901 -4.151 1.00 0.00 C ATOM 943 CG MET A 59 6.638 -5.707 -2.644 1.00 0.00 C ATOM 944 SD MET A 59 7.585 -4.253 -2.147 1.00 0.00 S ATOM 945 CE MET A 59 6.484 -2.946 -2.667 1.00 0.00 C ATOM 0 H MET A 59 7.348 -8.111 -3.391 1.00 0.00 H new ATOM 0 HA MET A 59 4.817 -7.149 -4.305 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.592 -5.902 -4.550 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.060 -5.053 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.623 -5.621 -2.255 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.080 -6.593 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.798 -2.005 -2.216 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.514 -2.856 -3.753 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.467 -3.179 -2.350 1.00 0.00 H new ATOM 955 N ASN A 60 6.701 -8.377 -6.519 1.00 0.00 N ATOM 956 CA ASN A 60 6.891 -8.659 -7.938 1.00 0.00 C ATOM 957 C ASN A 60 5.859 -9.651 -8.457 1.00 0.00 C ATOM 958 O ASN A 60 5.758 -9.887 -9.655 1.00 0.00 O ATOM 959 CB ASN A 60 8.302 -9.200 -8.187 1.00 0.00 C ATOM 960 CG ASN A 60 8.685 -10.282 -7.196 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.272 -9.999 -6.154 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.343 -11.518 -7.496 1.00 0.00 N ATOM 0 H ASN A 60 7.185 -9.025 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 60 6.760 -7.722 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.362 -9.599 -9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.019 -8.382 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.565 -12.279 -6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.856 -11.715 -8.371 1.00 0.00 H new ATOM 969 N SER A 61 5.104 -10.247 -7.557 1.00 0.00 N ATOM 970 CA SER A 61 4.102 -11.222 -7.941 1.00 0.00 C ATOM 971 C SER A 61 2.757 -10.567 -8.219 1.00 0.00 C ATOM 972 O SER A 61 1.918 -11.117 -8.940 1.00 0.00 O ATOM 973 CB SER A 61 3.956 -12.272 -6.851 1.00 0.00 C ATOM 974 OG SER A 61 5.152 -13.011 -6.697 1.00 0.00 O ATOM 0 H SER A 61 5.165 -10.074 -6.554 1.00 0.00 H new ATOM 0 HA SER A 61 4.435 -11.698 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.698 -11.789 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.136 -12.947 -7.098 1.00 0.00 H new ATOM 0 HG SER A 61 5.002 -13.750 -6.071 1.00 0.00 H new ATOM 980 N LEU A 62 2.537 -9.397 -7.664 1.00 0.00 N ATOM 981 CA LEU A 62 1.276 -8.708 -7.847 1.00 0.00 C ATOM 982 C LEU A 62 1.471 -7.290 -8.374 1.00 0.00 C ATOM 983 O LEU A 62 2.585 -6.785 -8.428 1.00 0.00 O ATOM 984 CB LEU A 62 0.460 -8.724 -6.546 1.00 0.00 C ATOM 985 CG LEU A 62 1.234 -8.474 -5.246 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.718 -7.036 -5.154 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.370 -8.829 -4.050 1.00 0.00 C ATOM 0 H LEU A 62 3.213 -8.901 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 62 0.710 -9.246 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.323 -7.970 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.035 -9.692 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 62 2.116 -9.115 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.262 -6.894 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.377 -6.819 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.862 -6.362 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.928 -8.648 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.529 -8.213 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.090 -9.881 -4.103 1.00 0.00 H new ATOM 999 N ARG A 63 0.375 -6.646 -8.744 1.00 0.00 N ATOM 1000 CA ARG A 63 0.429 -5.306 -9.310 1.00 0.00 C ATOM 1001 C ARG A 63 -0.398 -4.350 -8.492 1.00 0.00 C ATOM 1002 O ARG A 63 -1.590 -4.559 -8.291 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.080 -5.283 -10.751 1.00 0.00 C ATOM 1004 CG ARG A 63 0.506 -6.349 -11.638 1.00 0.00 C ATOM 1005 CD ARG A 63 0.218 -6.069 -13.098 1.00 0.00 C ATOM 1006 NE ARG A 63 1.040 -4.972 -13.617 1.00 0.00 N ATOM 1007 CZ ARG A 63 0.930 -4.466 -14.847 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -0.019 -4.906 -15.669 1.00 0.00 N ATOM 1009 NH2 ARG A 63 1.763 -3.511 -15.251 1.00 0.00 N ATOM 0 H ARG A 63 -0.566 -7.031 -8.662 1.00 0.00 H new ATOM 0 HA ARG A 63 1.475 -4.998 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.164 -5.392 -10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.139 -4.307 -11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.583 -6.404 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.094 -7.320 -11.364 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.403 -6.970 -13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.837 -5.821 -13.219 1.00 0.00 H new ATOM 0 HE ARG A 63 1.743 -4.569 -12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.665 -5.632 -15.360 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.100 -4.517 -16.608 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.486 -3.165 -14.621 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.678 -3.125 -16.191 1.00 0.00 H new ATOM 1023 N PHE A 64 0.227 -3.309 -8.016 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.448 -2.280 -7.254 1.00 0.00 C ATOM 1025 C PHE A 64 -0.733 -1.067 -8.127 1.00 0.00 C ATOM 1026 O PHE A 64 0.189 -0.399 -8.611 1.00 0.00 O ATOM 1027 CB PHE A 64 0.398 -1.878 -6.038 1.00 0.00 C ATOM 1028 CG PHE A 64 1.888 -2.120 -6.215 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.596 -1.506 -7.242 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.571 -2.972 -5.358 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.944 -1.741 -7.411 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.922 -3.205 -5.522 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.610 -2.591 -6.550 1.00 0.00 C ATOM 0 H PHE A 64 1.225 -3.144 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.399 -2.679 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.234 -0.821 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.051 -2.434 -5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.083 -0.836 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.039 -3.458 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.479 -1.260 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.441 -3.868 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.666 -2.775 -6.680 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.996 -0.780 -8.354 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.360 0.356 -9.166 1.00 0.00 C ATOM 1045 C LEU A 65 -3.624 1.033 -8.642 1.00 0.00 C ATOM 1046 O LEU A 65 -4.387 0.457 -7.868 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.490 -0.045 -10.674 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.759 -0.794 -11.131 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.096 -1.927 -10.201 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.934 0.161 -11.290 1.00 0.00 C ATOM 0 H LEU A 65 -2.784 -1.316 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.556 1.088 -9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.412 0.866 -11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.630 -0.665 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.550 -1.228 -12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.995 -2.432 -10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.268 -2.636 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.269 -1.536 -9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.814 -0.395 -11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.141 0.645 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.690 0.918 -12.035 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.836 2.252 -9.060 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.996 3.017 -8.672 1.00 0.00 C ATOM 1064 C PHE A 66 -5.451 3.848 -9.839 1.00 0.00 C ATOM 1065 O PHE A 66 -4.626 4.439 -10.523 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.664 3.912 -7.483 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.781 4.815 -7.075 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.868 4.319 -6.390 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.738 6.163 -7.375 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.898 5.149 -6.005 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.762 7.001 -6.997 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.846 6.495 -6.311 1.00 0.00 C ATOM 0 H PHE A 66 -3.203 2.749 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.796 2.339 -8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.388 3.285 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.792 4.518 -7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.914 3.267 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.891 6.564 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.744 4.748 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.717 8.053 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.652 7.149 -6.014 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.768 3.870 -10.084 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.390 4.622 -11.190 1.00 0.00 C ATOM 1084 C GLU A 67 -6.696 4.353 -12.538 1.00 0.00 C ATOM 1085 O GLU A 67 -6.665 5.204 -13.431 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.463 6.132 -10.891 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.137 6.850 -10.925 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.292 8.349 -10.972 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.925 8.860 -11.922 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.804 9.025 -10.052 1.00 0.00 O ATOM 0 H GLU A 67 -7.443 3.360 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.413 4.256 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.131 6.599 -11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.910 6.272 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.556 6.576 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.571 6.519 -11.796 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.169 3.154 -12.688 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.508 2.772 -13.917 1.00 0.00 C ATOM 1099 C GLY A 68 -4.048 3.191 -13.974 1.00 0.00 C ATOM 1100 O GLY A 68 -3.427 3.150 -15.033 1.00 0.00 O ATOM 0 H GLY A 68 -6.186 2.428 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.572 1.690 -14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.039 3.216 -14.759 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.484 3.569 -12.845 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.097 4.014 -12.804 1.00 0.00 C ATOM 1106 C GLN A 69 -1.314 3.145 -11.835 1.00 0.00 C ATOM 1107 O GLN A 69 -1.787 2.845 -10.744 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.013 5.497 -12.372 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.766 5.699 -10.878 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.928 7.131 -10.433 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.986 7.927 -10.491 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.103 7.454 -9.943 1.00 0.00 N ATOM 0 H GLN A 69 -3.960 3.579 -11.943 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.668 3.923 -13.802 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.212 5.982 -12.930 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.942 5.997 -12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.456 5.071 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.758 5.362 -10.635 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.852 6.762 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.267 8.397 -9.590 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.135 2.718 -12.224 1.00 0.00 N ATOM 1122 CA ARG A 70 0.682 1.906 -11.347 1.00 0.00 C ATOM 1123 C ARG A 70 1.244 2.760 -10.224 1.00 0.00 C ATOM 1124 O ARG A 70 1.624 3.922 -10.424 1.00 0.00 O ATOM 1125 CB ARG A 70 1.812 1.181 -12.120 1.00 0.00 C ATOM 1126 CG ARG A 70 3.011 2.052 -12.513 1.00 0.00 C ATOM 1127 CD ARG A 70 2.626 3.188 -13.449 1.00 0.00 C ATOM 1128 NE ARG A 70 1.975 2.711 -14.675 1.00 0.00 N ATOM 1129 CZ ARG A 70 2.031 3.345 -15.852 1.00 0.00 C ATOM 1130 NH1 ARG A 70 2.742 4.464 -15.978 1.00 0.00 N ATOM 1131 NH2 ARG A 70 1.379 2.858 -16.896 1.00 0.00 N ATOM 0 H ARG A 70 0.279 2.916 -13.135 1.00 0.00 H new ATOM 0 HA ARG A 70 0.049 1.131 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.172 0.353 -11.509 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.388 0.748 -13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.466 2.466 -11.613 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.766 1.430 -12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.956 3.872 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.519 3.755 -13.713 1.00 0.00 H new ATOM 0 HE ARG A 70 1.446 1.840 -14.627 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.246 4.841 -15.176 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.782 4.944 -16.877 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.835 2.000 -16.803 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.421 3.340 -17.794 1.00 0.00 H new ATOM 1145 N ILE A 71 1.282 2.211 -9.045 1.00 0.00 N ATOM 1146 CA ILE A 71 1.762 2.942 -7.903 1.00 0.00 C ATOM 1147 C ILE A 71 3.269 2.812 -7.789 1.00 0.00 C ATOM 1148 O ILE A 71 3.803 1.714 -7.683 1.00 0.00 O ATOM 1149 CB ILE A 71 1.115 2.448 -6.594 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.411 2.321 -6.742 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.463 3.386 -5.459 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.101 3.577 -7.240 1.00 0.00 C ATOM 0 H ILE A 71 0.986 1.255 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 71 1.488 3.986 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 71 1.510 1.457 -6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.630 1.504 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.836 2.047 -5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.002 3.030 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.545 3.420 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.093 4.386 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.174 3.398 -7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.917 4.394 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.709 3.843 -8.222 1.00 0.00 H new ATOM 1164 N ALA A 72 3.957 3.933 -7.807 1.00 0.00 N ATOM 1165 CA ALA A 72 5.387 3.933 -7.699 1.00 0.00 C ATOM 1166 C ALA A 72 5.781 4.164 -6.257 1.00 0.00 C ATOM 1167 O ALA A 72 4.979 4.649 -5.457 1.00 0.00 O ATOM 1168 CB ALA A 72 5.980 4.998 -8.600 1.00 0.00 C ATOM 0 H ALA A 72 3.539 4.859 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 72 5.777 2.967 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.066 4.988 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.701 4.797 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.600 5.976 -8.306 1.00 0.00 H new ATOM 1174 N ASP A 73 6.999 3.822 -5.915 1.00 0.00 N ATOM 1175 CA ASP A 73 7.489 3.969 -4.548 1.00 0.00 C ATOM 1176 C ASP A 73 7.574 5.437 -4.156 1.00 0.00 C ATOM 1177 O ASP A 73 7.423 5.798 -2.989 1.00 0.00 O ATOM 1178 CB ASP A 73 8.860 3.298 -4.400 1.00 0.00 C ATOM 1179 CG ASP A 73 8.826 1.828 -4.767 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.101 1.054 -4.097 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.501 1.437 -5.741 1.00 0.00 O ATOM 0 H ASP A 73 7.683 3.435 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 73 6.783 3.479 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.583 3.811 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.205 3.405 -3.372 1.00 0.00 H new ATOM 1186 N ASN A 74 7.773 6.292 -5.140 1.00 0.00 N ATOM 1187 CA ASN A 74 7.899 7.721 -4.895 1.00 0.00 C ATOM 1188 C ASN A 74 6.549 8.384 -5.008 1.00 0.00 C ATOM 1189 O ASN A 74 6.424 9.594 -4.863 1.00 0.00 O ATOM 1190 CB ASN A 74 8.849 8.366 -5.903 1.00 0.00 C ATOM 1191 CG ASN A 74 10.126 7.595 -6.078 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.118 7.846 -5.394 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.112 6.652 -6.999 1.00 0.00 N ATOM 0 H ASN A 74 7.852 6.024 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 74 8.300 7.855 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.346 8.450 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.084 9.379 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.948 6.093 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.265 6.481 -7.541 1.00 0.00 H new ATOM 1200 N HIS A 75 5.523 7.592 -5.263 1.00 0.00 N ATOM 1201 CA HIS A 75 4.189 8.135 -5.403 1.00 0.00 C ATOM 1202 C HIS A 75 3.589 8.361 -4.049 1.00 0.00 C ATOM 1203 O HIS A 75 3.898 7.652 -3.107 1.00 0.00 O ATOM 1204 CB HIS A 75 3.292 7.215 -6.228 1.00 0.00 C ATOM 1205 CG HIS A 75 3.303 7.515 -7.692 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.628 6.754 -8.625 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.905 8.508 -8.385 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.820 7.262 -9.823 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.590 8.326 -9.707 1.00 0.00 N ATOM 0 H HIS A 75 5.589 6.580 -5.376 1.00 0.00 H new ATOM 0 HA HIS A 75 4.265 9.085 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.608 6.183 -6.076 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.270 7.293 -5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.519 9.296 -7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.415 6.873 -10.746 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.901 8.918 -10.477 1.00 0.00 H new ATOM 1218 N THR A 76 2.781 9.376 -3.929 1.00 0.00 N ATOM 1219 CA THR A 76 2.128 9.669 -2.666 1.00 0.00 C ATOM 1220 C THR A 76 0.616 9.675 -2.821 1.00 0.00 C ATOM 1221 O THR A 76 0.101 9.900 -3.923 1.00 0.00 O ATOM 1222 CB THR A 76 2.593 11.032 -2.119 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.240 12.067 -3.038 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.091 11.037 -1.924 1.00 0.00 C ATOM 0 H THR A 76 2.553 10.020 -4.686 1.00 0.00 H new ATOM 0 HA THR A 76 2.406 8.885 -1.962 1.00 0.00 H new ATOM 0 HB THR A 76 2.105 11.205 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.671 12.905 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.404 12.007 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.368 10.257 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.583 10.851 -2.879 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.123 9.431 -1.722 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.583 9.433 -1.745 1.00 0.00 C ATOM 1234 C PRO A 77 -2.122 10.793 -2.163 1.00 0.00 C ATOM 1235 O PRO A 77 -3.106 10.898 -2.888 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.976 9.138 -0.288 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.766 8.539 0.336 1.00 0.00 C ATOM 1238 CD PRO A 77 0.410 9.131 -0.377 1.00 0.00 C ATOM 0 HA PRO A 77 -1.985 8.710 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.275 10.049 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.822 8.453 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.727 8.762 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.774 7.453 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.772 10.030 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.246 8.433 -0.422 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.447 11.841 -1.722 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.849 13.203 -2.026 1.00 0.00 C ATOM 1248 C LYS A 78 -1.684 13.513 -3.509 1.00 0.00 C ATOM 1249 O LYS A 78 -2.514 14.191 -4.114 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.039 14.193 -1.203 1.00 0.00 C ATOM 1251 CG LYS A 78 0.460 13.984 -1.306 1.00 0.00 C ATOM 1252 CD LYS A 78 1.220 15.210 -0.882 1.00 0.00 C ATOM 1253 CE LYS A 78 1.159 16.284 -1.951 1.00 0.00 C ATOM 1254 NZ LYS A 78 1.984 17.464 -1.595 1.00 0.00 N ATOM 0 H LYS A 78 -0.608 11.772 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.904 13.299 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.280 15.205 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.338 14.114 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.754 13.139 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.723 13.729 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.805 15.595 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.259 14.948 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.504 15.872 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.124 16.594 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.916 18.176 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.639 17.872 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.976 17.173 -1.482 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.613 13.012 -4.100 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.329 13.268 -5.497 1.00 0.00 C ATOM 1270 C GLU A 79 -1.181 12.409 -6.405 1.00 0.00 C ATOM 1271 O GLU A 79 -1.546 12.827 -7.507 1.00 0.00 O ATOM 1272 CB GLU A 79 1.142 13.044 -5.791 1.00 0.00 C ATOM 1273 CG GLU A 79 2.032 14.203 -5.398 1.00 0.00 C ATOM 1274 CD GLU A 79 1.695 15.472 -6.144 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.804 16.216 -5.693 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.318 15.733 -7.186 1.00 0.00 O ATOM 0 H GLU A 79 0.075 12.424 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.575 14.311 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.475 12.149 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.264 12.851 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.940 14.380 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.072 13.939 -5.589 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.501 11.204 -5.963 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.330 10.319 -6.765 1.00 0.00 C ATOM 1285 C LEU A 80 -3.809 10.642 -6.572 1.00 0.00 C ATOM 1286 O LEU A 80 -4.680 9.990 -7.139 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.050 8.844 -6.448 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.583 8.386 -6.555 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.498 6.903 -6.837 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.170 9.167 -7.611 1.00 0.00 C ATOM 0 H LEU A 80 -1.204 10.820 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.074 10.486 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.398 8.640 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.649 8.230 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.112 8.584 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.548 6.605 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.978 6.351 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.002 6.682 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.201 8.816 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.307 9.021 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.159 10.227 -7.357 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.086 11.649 -5.753 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.452 12.094 -5.545 1.00 0.00 C ATOM 1304 C GLY A 81 -6.265 11.132 -4.711 1.00 0.00 C ATOM 1305 O GLY A 81 -7.410 10.828 -5.038 1.00 0.00 O ATOM 0 H GLY A 81 -3.384 12.169 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.441 13.069 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.936 12.227 -6.512 1.00 0.00 H new ATOM 1309 N MET A 82 -5.684 10.647 -3.638 1.00 0.00 N ATOM 1310 CA MET A 82 -6.359 9.726 -2.743 1.00 0.00 C ATOM 1311 C MET A 82 -6.825 10.469 -1.499 1.00 0.00 C ATOM 1312 O MET A 82 -6.405 11.603 -1.253 1.00 0.00 O ATOM 1313 CB MET A 82 -5.402 8.604 -2.340 1.00 0.00 C ATOM 1314 CG MET A 82 -4.912 7.756 -3.498 1.00 0.00 C ATOM 1315 SD MET A 82 -3.605 6.612 -3.010 1.00 0.00 S ATOM 1316 CE MET A 82 -3.223 5.849 -4.581 1.00 0.00 C ATOM 0 H MET A 82 -4.731 10.878 -3.358 1.00 0.00 H new ATOM 0 HA MET A 82 -7.222 9.298 -3.253 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.541 9.041 -1.835 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.901 7.958 -1.618 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.748 7.192 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.544 8.407 -4.291 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.199 5.475 -4.565 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.909 5.021 -4.759 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.328 6.585 -5.378 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.688 9.853 -0.718 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.175 10.470 0.509 1.00 0.00 C ATOM 1328 C GLU A 83 -8.297 9.432 1.622 1.00 0.00 C ATOM 1329 O GLU A 83 -7.853 8.295 1.472 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.516 11.173 0.266 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.603 10.272 -0.302 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.898 11.015 -0.537 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.713 11.108 0.402 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.103 11.522 -1.659 1.00 0.00 O ATOM 0 H GLU A 83 -8.069 8.926 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.452 11.222 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.867 11.596 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.357 12.006 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.259 9.839 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.781 9.444 0.384 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.897 9.814 2.746 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.016 8.905 3.870 1.00 0.00 C ATOM 1343 C GLU A 84 -9.977 7.768 3.573 1.00 0.00 C ATOM 1344 O GLU A 84 -11.111 7.976 3.127 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.425 9.627 5.155 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.818 10.225 5.129 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.327 10.520 6.517 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.592 9.557 7.271 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.462 11.705 6.866 1.00 0.00 O ATOM 0 H GLU A 84 -9.303 10.738 2.897 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.024 8.481 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.361 8.925 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.706 10.422 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.808 11.144 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.500 9.536 4.631 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.485 6.564 3.775 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.228 5.323 3.599 1.00 0.00 C ATOM 1358 C GLU A 85 -10.381 4.971 2.135 1.00 0.00 C ATOM 1359 O GLU A 85 -11.180 4.113 1.760 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.551 5.340 4.353 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.353 5.341 5.859 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.625 5.154 6.631 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.978 3.995 6.926 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -13.274 6.166 6.967 1.00 0.00 O ATOM 0 H GLU A 85 -8.523 6.411 4.077 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.642 4.520 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.121 6.222 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.142 4.470 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.655 4.547 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.892 6.283 6.156 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.605 5.660 1.295 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.538 5.353 -0.129 1.00 0.00 C ATOM 1373 C ASP A 86 -9.066 3.918 -0.327 1.00 0.00 C ATOM 1374 O ASP A 86 -8.473 3.306 0.573 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.578 6.307 -0.835 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.007 6.633 -2.249 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.568 5.750 -2.931 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.795 7.786 -2.679 1.00 0.00 O ATOM 0 H ASP A 86 -9.012 6.439 1.583 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.533 5.472 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.504 7.231 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.582 5.864 -0.856 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.295 3.383 -1.492 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.959 2.010 -1.758 1.00 0.00 C ATOM 1385 C VAL A 87 -8.072 1.892 -2.989 1.00 0.00 C ATOM 1386 O VAL A 87 -8.219 2.634 -3.955 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.237 1.146 -1.934 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.059 1.616 -3.124 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.884 -0.328 -2.066 1.00 0.00 C ATOM 0 H VAL A 87 -9.715 3.878 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.406 1.636 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.847 1.268 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.947 0.992 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.359 2.653 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.461 1.540 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.797 -0.911 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.242 -0.472 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.360 -0.658 -1.169 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.145 0.963 -2.945 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.248 0.732 -4.048 1.00 0.00 C ATOM 1401 C ILE A 88 -6.535 -0.642 -4.645 1.00 0.00 C ATOM 1402 O ILE A 88 -7.013 -1.548 -3.944 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.758 0.827 -3.602 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.525 2.114 -2.808 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.817 0.770 -4.799 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.586 1.925 -1.307 1.00 0.00 C ATOM 0 H ILE A 88 -6.994 0.349 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.413 1.504 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.543 -0.030 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.550 2.523 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.271 2.852 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.785 0.839 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.960 -0.171 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.031 1.602 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.411 2.881 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.569 1.546 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.821 1.212 -0.999 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.239 -0.813 -5.914 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.535 -2.050 -6.598 1.00 0.00 C ATOM 1420 C GLU A 89 -5.257 -2.840 -6.815 1.00 0.00 C ATOM 1421 O GLU A 89 -4.203 -2.273 -7.128 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.209 -1.758 -7.939 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.608 -3.003 -8.704 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.707 -3.779 -8.026 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.410 -4.559 -7.110 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.885 -3.612 -8.412 1.00 0.00 O ATOM 0 H GLU A 89 -5.791 -0.105 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.215 -2.641 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.096 -1.149 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.532 -1.165 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.934 -2.720 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.736 -3.646 -8.823 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.320 -4.136 -6.617 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.171 -4.979 -6.807 1.00 0.00 C ATOM 1435 C VAL A 90 -4.524 -6.186 -7.666 1.00 0.00 C ATOM 1436 O VAL A 90 -5.547 -6.844 -7.460 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.604 -5.453 -5.454 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.429 -6.407 -5.647 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.191 -4.262 -4.607 1.00 0.00 C ATOM 0 H VAL A 90 -6.163 -4.629 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.410 -4.390 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.391 -5.998 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.053 -6.722 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.758 -7.281 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.635 -5.900 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.793 -4.613 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.426 -3.690 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.058 -3.627 -4.425 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.670 -6.481 -8.621 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.863 -7.605 -9.513 1.00 0.00 C ATOM 1451 C TYR A 91 -2.677 -8.540 -9.412 1.00 0.00 C ATOM 1452 O TYR A 91 -1.761 -8.304 -8.634 1.00 0.00 O ATOM 1453 CB TYR A 91 -4.023 -7.132 -10.956 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.305 -6.378 -11.226 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.485 -7.055 -11.501 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.329 -4.993 -11.226 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.655 -6.369 -11.763 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.493 -4.302 -11.491 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.652 -4.994 -11.758 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.814 -4.299 -12.025 1.00 0.00 O ATOM 0 H TYR A 91 -2.820 -5.947 -8.802 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.772 -8.129 -9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.178 -6.492 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.979 -7.998 -11.617 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.489 -8.135 -11.510 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.422 -4.446 -11.015 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.567 -6.909 -11.971 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.495 -3.222 -11.489 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.637 -3.336 -11.980 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.688 -9.600 -10.176 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.598 -10.549 -10.173 1.00 0.00 C ATOM 1472 C GLN A 92 -0.730 -10.344 -11.418 1.00 0.00 C ATOM 1473 O GLN A 92 -1.233 -9.983 -12.481 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.158 -11.973 -10.166 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.222 -13.012 -9.579 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.139 -12.923 -8.068 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.915 -13.553 -7.357 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.196 -12.148 -7.568 1.00 0.00 N ATOM 0 H GLN A 92 -3.447 -9.832 -10.816 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.989 -10.395 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.090 -11.981 -9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.403 -12.259 -11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.563 -14.007 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.227 -12.882 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.431 -11.640 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.093 -12.057 -6.557 1.00 0.00 H new ATOM 1487 N GLU A 93 0.575 -10.541 -11.285 1.00 0.00 N ATOM 1488 CA GLU A 93 1.474 -10.452 -12.434 1.00 0.00 C ATOM 1489 C GLU A 93 2.459 -11.605 -12.434 1.00 0.00 C ATOM 1490 O GLU A 93 3.535 -11.530 -13.035 1.00 0.00 O ATOM 1491 CB GLU A 93 2.209 -9.112 -12.497 1.00 0.00 C ATOM 1492 CG GLU A 93 3.166 -8.839 -11.354 1.00 0.00 C ATOM 1493 CD GLU A 93 4.051 -7.647 -11.644 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.959 -7.765 -12.499 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.829 -6.579 -11.056 1.00 0.00 O ATOM 0 H GLU A 93 1.034 -10.762 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 93 0.855 -10.518 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.766 -9.066 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.469 -8.312 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.600 -8.660 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.785 -9.719 -11.178 1.00 0.00 H new ATOM 1502 N GLN A 94 2.095 -12.671 -11.729 1.00 0.00 N ATOM 1503 CA GLN A 94 2.890 -13.896 -11.695 1.00 0.00 C ATOM 1504 C GLN A 94 3.030 -14.507 -13.098 1.00 0.00 C ATOM 1505 O GLN A 94 2.647 -13.902 -14.101 1.00 0.00 O ATOM 1506 CB GLN A 94 2.260 -14.907 -10.741 1.00 0.00 C ATOM 1507 CG GLN A 94 2.301 -14.482 -9.285 1.00 0.00 C ATOM 1508 CD GLN A 94 1.658 -15.494 -8.366 1.00 0.00 C ATOM 1509 OE1 GLN A 94 1.649 -16.691 -8.650 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.122 -15.025 -7.258 1.00 0.00 N ATOM 0 H GLN A 94 1.245 -12.712 -11.167 1.00 0.00 H new ATOM 0 HA GLN A 94 3.887 -13.641 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.223 -15.071 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.775 -15.862 -10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.337 -14.330 -8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.794 -13.524 -9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.151 -14.025 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.678 -15.662 -6.597 1.00 0.00 H new ATOM 1519 N THR A 95 3.534 -15.717 -13.173 1.00 0.00 N ATOM 1520 CA THR A 95 3.777 -16.341 -14.450 1.00 0.00 C ATOM 1521 C THR A 95 3.834 -17.855 -14.284 1.00 0.00 C ATOM 1522 O THR A 95 3.917 -18.370 -13.159 1.00 0.00 O ATOM 1523 CB THR A 95 5.098 -15.817 -15.087 1.00 0.00 C ATOM 1524 OG1 THR A 95 5.249 -16.332 -16.415 1.00 0.00 O ATOM 1525 CG2 THR A 95 6.309 -16.213 -14.248 1.00 0.00 C ATOM 0 H THR A 95 3.783 -16.287 -12.365 1.00 0.00 H new ATOM 0 HA THR A 95 2.956 -16.085 -15.120 1.00 0.00 H new ATOM 0 HB THR A 95 5.040 -14.729 -15.123 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.082 -15.994 -16.804 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.217 -15.833 -14.717 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.213 -15.790 -13.248 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.364 -17.299 -14.178 1.00 0.00 H new ATOM 1533 N GLY A 96 3.780 -18.567 -15.387 1.00 0.00 N ATOM 1534 CA GLY A 96 3.831 -20.004 -15.346 1.00 0.00 C ATOM 1535 C GLY A 96 4.540 -20.562 -16.547 1.00 0.00 C ATOM 1536 O GLY A 96 4.251 -20.180 -17.681 1.00 0.00 O ATOM 0 H GLY A 96 3.701 -18.170 -16.323 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.342 -20.326 -14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.818 -20.404 -15.301 1.00 0.00 H new ATOM 1540 N GLY A 97 5.483 -21.448 -16.315 1.00 0.00 N ATOM 1541 CA GLY A 97 6.214 -22.045 -17.402 1.00 0.00 C ATOM 1542 C GLY A 97 5.599 -23.352 -17.826 1.00 0.00 C ATOM 1543 O GLY A 97 5.963 -24.395 -17.250 1.00 0.00 O ATOM 1544 OXT GLY A 97 4.737 -23.346 -18.721 1.00 0.00 O ATOM 0 H GLY A 97 5.758 -21.768 -15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.234 -21.359 -18.249 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.248 -22.209 -17.100 1.00 0.00 H new TER 1548 GLY A 97