USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 767 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Set 2.1: A 76 ASN : amide:sc= -1.14 K(o=-5.6,f=-4) USER MOD Set 2.2: A 77 ASN : amide:sc= -4.49! C(o=-5.6!,f=-9.7!) USER MOD Set 3.1: A 42 GLN : amide:sc= -0.245 K(o=-2.4,f=-9.1!) USER MOD Set 3.2: A 44 ASN : amide:sc= -2.13 K(o=-2.4,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0303 (180deg=-0.204) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -66:sc= -3.3! USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= -0.424 (180deg=-1.07) USER MOD Single : A 14 THR OG1 : rot 112:sc= -0.319 USER MOD Single : A 15 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.2!) USER MOD Single : A 17 TYR OH : rot -36:sc= -5.78! USER MOD Single : A 19 THR OG1 : rot 175:sc= -1.72! USER MOD Single : A 20 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.074) USER MOD Single : A 24 THR OG1 : rot -51:sc= -1.68! USER MOD Single : A 26 THR OG1 : rot 161:sc= -0.881! USER MOD Single : A 29 GLN : amide:sc= -2.1! C(o=-2.1!,f=-7.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 173:sc= 0.825 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -120:sc= -8! (180deg=-10.9!) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00221 (180deg=-0.0505) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -120:sc= -3.78! USER MOD Single : A 63 ASN : amide:sc= -9.99! C(o=-10!,f=-19!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.74) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.87! C(o=-5.9!,f=-8!) USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0267) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.622 14.797 3.468 1.00 0.00 N ATOM 2 CA MET A 1 -18.745 13.858 4.223 1.00 0.00 C ATOM 3 C MET A 1 -17.975 12.976 3.238 1.00 0.00 C ATOM 4 O MET A 1 -17.606 11.861 3.548 1.00 0.00 O ATOM 5 CB MET A 1 -19.603 12.975 5.133 1.00 0.00 C ATOM 6 CG MET A 1 -19.879 13.712 6.445 1.00 0.00 C ATOM 7 SD MET A 1 -18.343 13.857 7.392 1.00 0.00 S ATOM 8 CE MET A 1 -18.925 13.039 8.897 1.00 0.00 C ATOM 0 H1 MET A 1 -20.290 15.251 4.123 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.038 15.525 3.009 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.152 14.271 2.744 1.00 0.00 H new ATOM 0 HA MET A 1 -18.041 14.428 4.829 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.542 12.728 4.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.091 12.034 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.287 14.702 6.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.627 13.173 7.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.121 13.016 9.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.774 13.588 9.304 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.230 12.019 8.662 1.00 0.00 H new ATOM 20 N SER A 2 -17.724 13.467 2.055 1.00 0.00 N ATOM 21 CA SER A 2 -16.975 12.654 1.059 1.00 0.00 C ATOM 22 C SER A 2 -15.650 12.201 1.677 1.00 0.00 C ATOM 23 O SER A 2 -14.693 12.946 1.732 1.00 0.00 O ATOM 24 CB SER A 2 -16.697 13.500 -0.185 1.00 0.00 C ATOM 25 OG SER A 2 -17.307 12.889 -1.314 1.00 0.00 O ATOM 0 H SER A 2 -18.005 14.394 1.737 1.00 0.00 H new ATOM 0 HA SER A 2 -17.565 11.782 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.087 14.509 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.623 13.593 -0.343 1.00 0.00 H new ATOM 0 HG SER A 2 -17.132 13.429 -2.113 1.00 0.00 H new ATOM 31 N TYR A 3 -15.589 10.985 2.149 1.00 0.00 N ATOM 32 CA TYR A 3 -14.328 10.492 2.771 1.00 0.00 C ATOM 33 C TYR A 3 -14.482 9.014 3.136 1.00 0.00 C ATOM 34 O TYR A 3 -14.650 8.666 4.286 1.00 0.00 O ATOM 35 CB TYR A 3 -14.044 11.298 4.040 1.00 0.00 C ATOM 36 CG TYR A 3 -12.744 12.051 3.886 1.00 0.00 C ATOM 37 CD1 TYR A 3 -11.525 11.388 4.077 1.00 0.00 C ATOM 38 CD2 TYR A 3 -12.756 13.411 3.558 1.00 0.00 C ATOM 39 CE1 TYR A 3 -10.319 12.085 3.939 1.00 0.00 C ATOM 40 CE2 TYR A 3 -11.549 14.109 3.420 1.00 0.00 C ATOM 41 CZ TYR A 3 -10.331 13.447 3.610 1.00 0.00 C ATOM 42 OH TYR A 3 -9.143 14.135 3.476 1.00 0.00 O ATOM 0 H TYR A 3 -16.356 10.313 2.131 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.504 10.609 2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -14.859 11.996 4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -13.989 10.632 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.516 10.338 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.696 13.923 3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.379 11.573 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.559 15.159 3.167 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.330 15.069 3.245 1.00 0.00 H new ATOM 52 N ALA A 4 -14.427 8.140 2.167 1.00 0.00 N ATOM 53 CA ALA A 4 -14.572 6.688 2.471 1.00 0.00 C ATOM 54 C ALA A 4 -13.966 5.857 1.336 1.00 0.00 C ATOM 55 O ALA A 4 -14.650 5.454 0.417 1.00 0.00 O ATOM 56 CB ALA A 4 -16.057 6.345 2.616 1.00 0.00 C ATOM 0 H ALA A 4 -14.289 8.368 1.182 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.050 6.461 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.165 5.283 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.488 6.931 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.576 6.576 1.686 1.00 0.00 H new ATOM 62 N ARG A 5 -12.687 5.595 1.397 1.00 0.00 N ATOM 63 CA ARG A 5 -12.034 4.786 0.326 1.00 0.00 C ATOM 64 C ARG A 5 -12.221 5.478 -1.028 1.00 0.00 C ATOM 65 O ARG A 5 -13.182 6.195 -1.228 1.00 0.00 O ATOM 66 CB ARG A 5 -12.673 3.396 0.273 1.00 0.00 C ATOM 67 CG ARG A 5 -12.335 2.627 1.550 1.00 0.00 C ATOM 68 CD ARG A 5 -13.490 2.761 2.544 1.00 0.00 C ATOM 69 NE ARG A 5 -14.374 1.567 2.438 1.00 0.00 N ATOM 70 CZ ARG A 5 -15.630 1.713 2.112 1.00 0.00 C ATOM 71 NH1 ARG A 5 -16.361 2.608 2.718 1.00 0.00 N ATOM 72 NH2 ARG A 5 -16.153 0.963 1.182 1.00 0.00 N ATOM 0 H ARG A 5 -12.066 5.907 2.143 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.970 4.693 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.754 3.486 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.310 2.851 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.159 1.576 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.416 3.015 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.103 2.852 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.059 3.668 2.338 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.999 0.636 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.951 3.193 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.342 2.722 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.581 0.263 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.134 1.077 0.927 1.00 0.00 H new ATOM 86 N PRO A 6 -11.298 5.233 -1.923 1.00 0.00 N ATOM 87 CA PRO A 6 -11.430 5.861 -3.261 1.00 0.00 C ATOM 88 C PRO A 6 -11.493 4.783 -4.350 1.00 0.00 C ATOM 89 O PRO A 6 -11.792 3.636 -4.085 1.00 0.00 O ATOM 90 CB PRO A 6 -10.168 6.705 -3.416 1.00 0.00 C ATOM 91 CG PRO A 6 -9.123 6.092 -2.470 1.00 0.00 C ATOM 92 CD PRO A 6 -9.900 5.289 -1.414 1.00 0.00 C ATOM 0 HA PRO A 6 -12.338 6.456 -3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.815 6.692 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.362 7.746 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.436 5.447 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.523 6.871 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.484 4.289 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.854 5.773 -0.438 1.00 0.00 H new ATOM 100 N GLY A 7 -11.212 5.143 -5.576 1.00 0.00 N ATOM 101 CA GLY A 7 -11.256 4.140 -6.680 1.00 0.00 C ATOM 102 C GLY A 7 -9.909 4.124 -7.409 1.00 0.00 C ATOM 103 O GLY A 7 -8.864 4.061 -6.793 1.00 0.00 O ATOM 0 H GLY A 7 -10.954 6.088 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.476 3.151 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.056 4.386 -7.378 1.00 0.00 H new ATOM 107 N GLY A 8 -9.923 4.180 -8.715 1.00 0.00 N ATOM 108 CA GLY A 8 -8.637 4.168 -9.473 1.00 0.00 C ATOM 109 C GLY A 8 -8.886 3.738 -10.923 1.00 0.00 C ATOM 110 O GLY A 8 -9.788 4.221 -11.579 1.00 0.00 O ATOM 0 H GLY A 8 -10.765 4.233 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.184 5.159 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.932 3.485 -8.999 1.00 0.00 H new ATOM 114 N GLU A 9 -8.089 2.834 -11.429 1.00 0.00 N ATOM 115 CA GLU A 9 -8.275 2.372 -12.836 1.00 0.00 C ATOM 116 C GLU A 9 -7.395 1.141 -13.088 1.00 0.00 C ATOM 117 O GLU A 9 -6.686 0.688 -12.211 1.00 0.00 O ATOM 118 CB GLU A 9 -7.875 3.497 -13.794 1.00 0.00 C ATOM 119 CG GLU A 9 -9.100 3.952 -14.589 1.00 0.00 C ATOM 120 CD GLU A 9 -9.326 3.003 -15.767 1.00 0.00 C ATOM 121 OE1 GLU A 9 -8.460 2.938 -16.625 1.00 0.00 O ATOM 122 OE2 GLU A 9 -10.362 2.358 -15.792 1.00 0.00 O ATOM 0 H GLU A 9 -7.316 2.395 -10.928 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.320 2.109 -13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.460 4.335 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.096 3.151 -14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.980 3.966 -13.945 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.954 4.970 -14.951 1.00 0.00 H new ATOM 129 N SER A 10 -7.431 0.596 -14.277 1.00 0.00 N ATOM 130 CA SER A 10 -6.594 -0.606 -14.572 1.00 0.00 C ATOM 131 C SER A 10 -7.169 -1.818 -13.843 1.00 0.00 C ATOM 132 O SER A 10 -8.303 -1.805 -13.409 1.00 0.00 O ATOM 133 CB SER A 10 -5.161 -0.354 -14.101 1.00 0.00 C ATOM 134 OG SER A 10 -4.934 -1.047 -12.879 1.00 0.00 O ATOM 0 H SER A 10 -8.002 0.930 -15.054 1.00 0.00 H new ATOM 0 HA SER A 10 -6.594 -0.798 -15.645 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.453 -0.690 -14.859 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.995 0.714 -13.962 1.00 0.00 H new ATOM 0 HG SER A 10 -5.497 -0.662 -12.175 1.00 0.00 H new ATOM 140 N ILE A 11 -6.395 -2.864 -13.706 1.00 0.00 N ATOM 141 CA ILE A 11 -6.895 -4.081 -13.000 1.00 0.00 C ATOM 142 C ILE A 11 -7.702 -3.638 -11.768 1.00 0.00 C ATOM 143 O ILE A 11 -7.156 -3.355 -10.721 1.00 0.00 O ATOM 144 CB ILE A 11 -5.698 -4.974 -12.594 1.00 0.00 C ATOM 145 CG1 ILE A 11 -6.049 -5.803 -11.354 1.00 0.00 C ATOM 146 CG2 ILE A 11 -4.467 -4.114 -12.288 1.00 0.00 C ATOM 147 CD1 ILE A 11 -4.964 -6.854 -11.112 1.00 0.00 C ATOM 0 H ILE A 11 -5.438 -2.928 -14.053 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.542 -4.664 -13.655 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.476 -5.641 -13.427 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.140 -5.153 -10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.015 -6.289 -11.491 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.635 -4.758 -12.004 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.196 -3.539 -13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.694 -3.432 -11.468 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.217 -7.442 -10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.895 -7.512 -11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.006 -6.358 -10.956 1.00 0.00 H new ATOM 159 N LYS A 12 -9.002 -3.551 -11.902 1.00 0.00 N ATOM 160 CA LYS A 12 -9.847 -3.096 -10.760 1.00 0.00 C ATOM 161 C LYS A 12 -9.368 -1.703 -10.335 1.00 0.00 C ATOM 162 O LYS A 12 -8.610 -1.069 -11.042 1.00 0.00 O ATOM 163 CB LYS A 12 -9.722 -4.083 -9.599 1.00 0.00 C ATOM 164 CG LYS A 12 -10.963 -4.977 -9.546 1.00 0.00 C ATOM 165 CD LYS A 12 -12.143 -4.178 -8.984 1.00 0.00 C ATOM 166 CE LYS A 12 -13.451 -4.681 -9.601 1.00 0.00 C ATOM 167 NZ LYS A 12 -14.605 -4.128 -8.836 1.00 0.00 N ATOM 0 H LYS A 12 -9.514 -3.776 -12.755 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.895 -3.050 -11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.827 -4.693 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.611 -3.542 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.202 -5.346 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.770 -5.849 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.179 -4.280 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.012 -3.118 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.514 -4.376 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.478 -5.771 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.222 -4.906 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.255 -3.613 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.144 -3.478 -9.443 1.00 0.00 H new ATOM 181 N ASP A 13 -9.799 -1.205 -9.207 1.00 0.00 N ATOM 182 CA ASP A 13 -9.342 0.160 -8.803 1.00 0.00 C ATOM 183 C ASP A 13 -9.526 0.379 -7.297 1.00 0.00 C ATOM 184 O ASP A 13 -10.492 0.975 -6.863 1.00 0.00 O ATOM 185 CB ASP A 13 -10.144 1.221 -9.562 1.00 0.00 C ATOM 186 CG ASP A 13 -11.460 0.626 -10.070 1.00 0.00 C ATOM 187 OD1 ASP A 13 -11.446 0.034 -11.136 1.00 0.00 O ATOM 188 OD2 ASP A 13 -12.456 0.771 -9.381 1.00 0.00 O ATOM 0 H ASP A 13 -10.434 -1.671 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.283 0.246 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.348 2.069 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.559 1.598 -10.401 1.00 0.00 H new ATOM 193 N THR A 14 -8.598 -0.077 -6.501 1.00 0.00 N ATOM 194 CA THR A 14 -8.710 0.128 -5.026 1.00 0.00 C ATOM 195 C THR A 14 -7.330 -0.066 -4.385 1.00 0.00 C ATOM 196 O THR A 14 -7.169 -0.840 -3.462 1.00 0.00 O ATOM 197 CB THR A 14 -9.704 -0.881 -4.444 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.704 -1.166 -5.412 1.00 0.00 O ATOM 199 CG2 THR A 14 -10.356 -0.291 -3.193 1.00 0.00 C ATOM 0 H THR A 14 -7.767 -0.583 -6.807 1.00 0.00 H new ATOM 0 HA THR A 14 -9.066 1.137 -4.818 1.00 0.00 H new ATOM 0 HB THR A 14 -9.180 -1.800 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.612 -2.094 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.064 -1.009 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.588 -0.070 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.882 0.627 -3.455 1.00 0.00 H new ATOM 207 N ASN A 15 -6.330 0.618 -4.880 1.00 0.00 N ATOM 208 CA ASN A 15 -4.952 0.461 -4.317 1.00 0.00 C ATOM 209 C ASN A 15 -4.823 1.265 -3.026 1.00 0.00 C ATOM 210 O ASN A 15 -5.796 1.759 -2.491 1.00 0.00 O ATOM 211 CB ASN A 15 -3.923 0.979 -5.329 1.00 0.00 C ATOM 212 CG ASN A 15 -4.438 0.748 -6.751 1.00 0.00 C ATOM 213 OD1 ASN A 15 -5.040 1.622 -7.342 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.227 -0.402 -7.329 1.00 0.00 N ATOM 0 H ASN A 15 -6.407 1.280 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.772 -0.594 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.741 2.041 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.971 0.467 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.567 -0.567 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.722 -1.137 -6.834 1.00 0.00 H new ATOM 221 N LEU A 16 -3.625 1.408 -2.520 1.00 0.00 N ATOM 222 CA LEU A 16 -3.455 2.195 -1.268 1.00 0.00 C ATOM 223 C LEU A 16 -2.053 2.795 -1.214 1.00 0.00 C ATOM 224 O LEU A 16 -1.057 2.109 -1.344 1.00 0.00 O ATOM 225 CB LEU A 16 -3.718 1.332 -0.018 1.00 0.00 C ATOM 226 CG LEU A 16 -2.861 0.061 0.014 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.252 -0.754 1.246 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.132 -0.783 -1.228 1.00 0.00 C ATOM 0 H LEU A 16 -2.769 1.019 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.189 3.000 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.517 1.923 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.772 1.056 0.013 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.806 0.335 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.652 -1.663 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.075 -0.163 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.308 -1.018 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.519 -1.684 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.185 -1.062 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.886 -0.207 -2.120 1.00 0.00 H new ATOM 240 N TYR A 17 -1.978 4.081 -1.011 1.00 0.00 N ATOM 241 CA TYR A 17 -0.656 4.751 -0.932 1.00 0.00 C ATOM 242 C TYR A 17 -0.082 4.456 0.452 1.00 0.00 C ATOM 243 O TYR A 17 -0.722 4.678 1.461 1.00 0.00 O ATOM 244 CB TYR A 17 -0.853 6.264 -1.160 1.00 0.00 C ATOM 245 CG TYR A 17 0.028 7.080 -0.237 1.00 0.00 C ATOM 246 CD1 TYR A 17 -0.445 7.459 1.025 1.00 0.00 C ATOM 247 CD2 TYR A 17 1.310 7.462 -0.648 1.00 0.00 C ATOM 248 CE1 TYR A 17 0.364 8.221 1.877 1.00 0.00 C ATOM 249 CE2 TYR A 17 2.119 8.225 0.202 1.00 0.00 C ATOM 250 CZ TYR A 17 1.646 8.604 1.463 1.00 0.00 C ATOM 251 OH TYR A 17 2.442 9.359 2.299 1.00 0.00 O ATOM 0 H TYR A 17 -2.782 4.698 -0.896 1.00 0.00 H new ATOM 0 HA TYR A 17 0.036 4.389 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.624 6.510 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.898 6.526 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.434 7.164 1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.675 7.168 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.000 8.513 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.108 8.521 -0.115 1.00 0.00 H new ATOM 0 HH TYR A 17 1.885 9.993 2.797 1.00 0.00 H new ATOM 261 N VAL A 18 1.103 3.924 0.506 1.00 0.00 N ATOM 262 CA VAL A 18 1.689 3.579 1.826 1.00 0.00 C ATOM 263 C VAL A 18 2.966 4.373 2.064 1.00 0.00 C ATOM 264 O VAL A 18 3.884 4.328 1.278 1.00 0.00 O ATOM 265 CB VAL A 18 2.002 2.087 1.858 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.701 1.291 1.763 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.916 1.720 0.684 1.00 0.00 C ATOM 0 H VAL A 18 1.689 3.714 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 18 0.973 3.826 2.610 1.00 0.00 H new ATOM 0 HB VAL A 18 2.509 1.847 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.925 0.224 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.057 1.545 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.192 1.535 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.135 0.653 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.418 1.962 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.846 2.284 0.757 1.00 0.00 H new ATOM 277 N THR A 19 3.028 5.101 3.146 1.00 0.00 N ATOM 278 CA THR A 19 4.258 5.907 3.433 1.00 0.00 C ATOM 279 C THR A 19 4.824 5.526 4.808 1.00 0.00 C ATOM 280 O THR A 19 4.262 4.714 5.510 1.00 0.00 O ATOM 281 CB THR A 19 3.887 7.394 3.429 1.00 0.00 C ATOM 282 OG1 THR A 19 4.899 8.141 4.085 1.00 0.00 O ATOM 283 CG2 THR A 19 2.555 7.592 4.156 1.00 0.00 C ATOM 0 H THR A 19 2.287 5.175 3.843 1.00 0.00 H new ATOM 0 HA THR A 19 5.012 5.707 2.671 1.00 0.00 H new ATOM 0 HB THR A 19 3.794 7.738 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.700 9.098 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.292 8.650 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.776 7.023 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.647 7.244 5.185 1.00 0.00 H new ATOM 291 N ASN A 20 5.929 6.119 5.193 1.00 0.00 N ATOM 292 CA ASN A 20 6.542 5.824 6.528 1.00 0.00 C ATOM 293 C ASN A 20 7.497 4.628 6.451 1.00 0.00 C ATOM 294 O ASN A 20 7.885 4.078 7.462 1.00 0.00 O ATOM 295 CB ASN A 20 5.448 5.536 7.559 1.00 0.00 C ATOM 296 CG ASN A 20 5.821 6.192 8.890 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.961 6.507 9.688 1.00 0.00 O ATOM 298 ND2 ASN A 20 7.079 6.411 9.164 1.00 0.00 N ATOM 0 H ASN A 20 6.438 6.803 4.633 1.00 0.00 H new ATOM 0 HA ASN A 20 7.112 6.702 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.491 5.920 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.331 4.460 7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.340 6.847 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.801 6.146 8.493 1.00 0.00 H new ATOM 305 N LEU A 21 7.897 4.223 5.276 1.00 0.00 N ATOM 306 CA LEU A 21 8.841 3.073 5.187 1.00 0.00 C ATOM 307 C LEU A 21 9.653 3.149 3.888 1.00 0.00 C ATOM 308 O LEU A 21 9.854 2.154 3.223 1.00 0.00 O ATOM 309 CB LEU A 21 8.080 1.733 5.269 1.00 0.00 C ATOM 310 CG LEU A 21 6.872 1.686 4.314 1.00 0.00 C ATOM 311 CD1 LEU A 21 5.846 2.762 4.676 1.00 0.00 C ATOM 312 CD2 LEU A 21 7.327 1.883 2.869 1.00 0.00 C ATOM 0 H LEU A 21 7.616 4.632 4.385 1.00 0.00 H new ATOM 0 HA LEU A 21 9.528 3.127 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.761 0.916 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.738 1.574 6.292 1.00 0.00 H new ATOM 0 HG LEU A 21 6.405 0.706 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.003 2.708 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.493 2.600 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.310 3.746 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.462 1.847 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.819 2.851 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.025 1.092 2.596 1.00 0.00 H new ATOM 324 N PRO A 22 10.106 4.336 3.571 1.00 0.00 N ATOM 325 CA PRO A 22 10.901 4.478 2.327 1.00 0.00 C ATOM 326 C PRO A 22 12.324 3.941 2.523 1.00 0.00 C ATOM 327 O PRO A 22 12.927 4.108 3.565 1.00 0.00 O ATOM 328 CB PRO A 22 10.946 5.982 2.070 1.00 0.00 C ATOM 329 CG PRO A 22 10.704 6.658 3.430 1.00 0.00 C ATOM 330 CD PRO A 22 10.012 5.615 4.320 1.00 0.00 C ATOM 0 HA PRO A 22 10.464 3.919 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.910 6.277 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.184 6.276 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.645 6.984 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.081 7.545 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.502 5.539 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.973 5.885 4.508 1.00 0.00 H new ATOM 338 N ARG A 23 12.870 3.314 1.515 1.00 0.00 N ATOM 339 CA ARG A 23 14.262 2.782 1.616 1.00 0.00 C ATOM 340 C ARG A 23 14.364 1.742 2.736 1.00 0.00 C ATOM 341 O ARG A 23 15.444 1.312 3.091 1.00 0.00 O ATOM 342 CB ARG A 23 15.224 3.935 1.904 1.00 0.00 C ATOM 343 CG ARG A 23 15.654 4.582 0.585 1.00 0.00 C ATOM 344 CD ARG A 23 16.667 3.679 -0.123 1.00 0.00 C ATOM 345 NE ARG A 23 17.825 3.427 0.780 1.00 0.00 N ATOM 346 CZ ARG A 23 18.980 3.980 0.530 1.00 0.00 C ATOM 347 NH1 ARG A 23 19.690 3.578 -0.490 1.00 0.00 N ATOM 348 NH2 ARG A 23 19.429 4.933 1.302 1.00 0.00 N ATOM 0 H ARG A 23 12.409 3.146 0.621 1.00 0.00 H new ATOM 0 HA ARG A 23 14.524 2.304 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.742 4.674 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 23 16.097 3.568 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.785 4.742 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.094 5.561 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.197 2.736 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.007 4.150 -1.045 1.00 0.00 H new ATOM 0 HE ARG A 23 17.715 2.822 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.342 2.832 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.593 4.011 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.877 5.245 2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.332 5.365 1.106 1.00 0.00 H new ATOM 362 N THR A 24 13.261 1.324 3.290 1.00 0.00 N ATOM 363 CA THR A 24 13.317 0.304 4.375 1.00 0.00 C ATOM 364 C THR A 24 12.995 -1.067 3.783 1.00 0.00 C ATOM 365 O THR A 24 13.591 -2.065 4.136 1.00 0.00 O ATOM 366 CB THR A 24 12.298 0.651 5.464 1.00 0.00 C ATOM 367 OG1 THR A 24 10.984 0.503 4.946 1.00 0.00 O ATOM 368 CG2 THR A 24 12.510 2.095 5.924 1.00 0.00 C ATOM 0 H THR A 24 12.325 1.643 3.040 1.00 0.00 H new ATOM 0 HA THR A 24 14.314 0.289 4.816 1.00 0.00 H new ATOM 0 HB THR A 24 12.431 -0.020 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.908 0.994 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.784 2.340 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.518 2.205 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.379 2.769 5.078 1.00 0.00 H new ATOM 376 N ILE A 25 12.061 -1.119 2.871 1.00 0.00 N ATOM 377 CA ILE A 25 11.699 -2.419 2.237 1.00 0.00 C ATOM 378 C ILE A 25 11.534 -2.206 0.729 1.00 0.00 C ATOM 379 O ILE A 25 11.471 -1.088 0.259 1.00 0.00 O ATOM 380 CB ILE A 25 10.389 -2.947 2.833 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.508 -1.776 3.284 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.703 -3.834 4.038 1.00 0.00 C ATOM 383 CD1 ILE A 25 8.838 -1.141 2.065 1.00 0.00 C ATOM 0 H ILE A 25 11.532 -0.314 2.537 1.00 0.00 H new ATOM 0 HA ILE A 25 12.487 -3.149 2.424 1.00 0.00 H new ATOM 0 HB ILE A 25 9.859 -3.524 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.752 -2.126 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.111 -1.034 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.773 -4.211 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.323 -4.672 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.237 -3.252 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.212 -0.309 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.602 -0.776 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.222 -1.885 1.560 1.00 0.00 H new ATOM 395 N THR A 26 11.473 -3.263 -0.035 1.00 0.00 N ATOM 396 CA THR A 26 11.324 -3.102 -1.512 1.00 0.00 C ATOM 397 C THR A 26 9.878 -3.394 -1.922 1.00 0.00 C ATOM 398 O THR A 26 9.223 -4.250 -1.358 1.00 0.00 O ATOM 399 CB THR A 26 12.265 -4.070 -2.245 1.00 0.00 C ATOM 400 OG1 THR A 26 11.532 -5.209 -2.674 1.00 0.00 O ATOM 401 CG2 THR A 26 13.398 -4.512 -1.315 1.00 0.00 C ATOM 0 H THR A 26 11.519 -4.227 0.296 1.00 0.00 H new ATOM 0 HA THR A 26 11.580 -2.077 -1.781 1.00 0.00 H new ATOM 0 HB THR A 26 12.694 -3.562 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.025 -5.666 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.058 -5.198 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.965 -3.639 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.978 -5.014 -0.443 1.00 0.00 H new ATOM 409 N ASP A 27 9.374 -2.690 -2.900 1.00 0.00 N ATOM 410 CA ASP A 27 7.970 -2.934 -3.340 1.00 0.00 C ATOM 411 C ASP A 27 7.795 -4.419 -3.665 1.00 0.00 C ATOM 412 O ASP A 27 7.074 -5.129 -2.994 1.00 0.00 O ATOM 413 CB ASP A 27 7.642 -2.093 -4.583 1.00 0.00 C ATOM 414 CG ASP A 27 8.905 -1.846 -5.414 1.00 0.00 C ATOM 415 OD1 ASP A 27 9.625 -0.913 -5.097 1.00 0.00 O ATOM 416 OD2 ASP A 27 9.126 -2.588 -6.357 1.00 0.00 O ATOM 0 H ASP A 27 9.871 -1.960 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 27 7.292 -2.647 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.895 -2.606 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.207 -1.141 -4.280 1.00 0.00 H new ATOM 421 N ASP A 28 8.452 -4.900 -4.683 1.00 0.00 N ATOM 422 CA ASP A 28 8.319 -6.339 -5.037 1.00 0.00 C ATOM 423 C ASP A 28 8.411 -7.187 -3.768 1.00 0.00 C ATOM 424 O ASP A 28 7.903 -8.288 -3.707 1.00 0.00 O ATOM 425 CB ASP A 28 9.441 -6.730 -6.001 1.00 0.00 C ATOM 426 CG ASP A 28 10.755 -6.095 -5.539 1.00 0.00 C ATOM 427 OD1 ASP A 28 11.003 -4.960 -5.908 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.489 -6.756 -4.823 1.00 0.00 O ATOM 0 H ASP A 28 9.074 -4.359 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 28 7.355 -6.511 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.542 -7.815 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.200 -6.398 -7.011 1.00 0.00 H new ATOM 433 N GLN A 29 9.057 -6.685 -2.751 1.00 0.00 N ATOM 434 CA GLN A 29 9.178 -7.467 -1.490 1.00 0.00 C ATOM 435 C GLN A 29 7.795 -7.660 -0.871 1.00 0.00 C ATOM 436 O GLN A 29 7.324 -8.770 -0.723 1.00 0.00 O ATOM 437 CB GLN A 29 10.073 -6.715 -0.505 1.00 0.00 C ATOM 438 CG GLN A 29 10.507 -7.658 0.618 1.00 0.00 C ATOM 439 CD GLN A 29 11.391 -6.897 1.607 1.00 0.00 C ATOM 440 OE1 GLN A 29 11.098 -5.772 1.962 1.00 0.00 O ATOM 441 NE2 GLN A 29 12.471 -7.465 2.070 1.00 0.00 N ATOM 0 H GLN A 29 9.505 -5.769 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 29 9.616 -8.440 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.948 -6.321 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.537 -5.861 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.632 -8.059 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.052 -8.507 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.718 -8.409 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.068 -6.965 2.729 1.00 0.00 H new ATOM 450 N LEU A 30 7.139 -6.593 -0.504 1.00 0.00 N ATOM 451 CA LEU A 30 5.786 -6.731 0.108 1.00 0.00 C ATOM 452 C LEU A 30 4.973 -7.757 -0.690 1.00 0.00 C ATOM 453 O LEU A 30 4.083 -8.402 -0.170 1.00 0.00 O ATOM 454 CB LEU A 30 5.073 -5.375 0.093 1.00 0.00 C ATOM 455 CG LEU A 30 5.195 -4.711 1.469 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.673 -4.523 1.811 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.505 -3.344 1.440 1.00 0.00 C ATOM 0 H LEU A 30 7.479 -5.636 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 30 5.883 -7.069 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.510 -4.732 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.022 -5.509 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 30 4.721 -5.343 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.763 -4.051 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.168 -5.494 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.143 -3.890 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.592 -2.872 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.980 -2.713 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.452 -3.473 1.192 1.00 0.00 H new ATOM 469 N ASP A 31 5.280 -7.927 -1.949 1.00 0.00 N ATOM 470 CA ASP A 31 4.530 -8.922 -2.768 1.00 0.00 C ATOM 471 C ASP A 31 4.655 -10.301 -2.123 1.00 0.00 C ATOM 472 O ASP A 31 3.671 -10.968 -1.847 1.00 0.00 O ATOM 473 CB ASP A 31 5.123 -8.982 -4.177 1.00 0.00 C ATOM 474 CG ASP A 31 4.296 -9.941 -5.033 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.519 -11.137 -4.931 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.450 -9.468 -5.773 1.00 0.00 O ATOM 0 H ASP A 31 6.015 -7.422 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 31 3.482 -8.626 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.127 -7.988 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.159 -9.317 -4.134 1.00 0.00 H new ATOM 481 N THR A 32 5.866 -10.730 -1.886 1.00 0.00 N ATOM 482 CA THR A 32 6.088 -12.062 -1.261 1.00 0.00 C ATOM 483 C THR A 32 5.474 -12.070 0.138 1.00 0.00 C ATOM 484 O THR A 32 4.803 -13.006 0.526 1.00 0.00 O ATOM 485 CB THR A 32 7.594 -12.329 -1.170 1.00 0.00 C ATOM 486 OG1 THR A 32 8.092 -12.651 -2.462 1.00 0.00 O ATOM 487 CG2 THR A 32 7.857 -13.495 -0.217 1.00 0.00 C ATOM 0 H THR A 32 6.716 -10.209 -2.101 1.00 0.00 H new ATOM 0 HA THR A 32 5.619 -12.839 -1.864 1.00 0.00 H new ATOM 0 HB THR A 32 8.097 -11.439 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.056 -12.821 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.929 -13.680 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.475 -13.249 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.355 -14.388 -0.588 1.00 0.00 H new ATOM 495 N ILE A 33 5.686 -11.030 0.898 1.00 0.00 N ATOM 496 CA ILE A 33 5.102 -10.981 2.267 1.00 0.00 C ATOM 497 C ILE A 33 3.582 -11.133 2.153 1.00 0.00 C ATOM 498 O ILE A 33 2.898 -11.426 3.113 1.00 0.00 O ATOM 499 CB ILE A 33 5.486 -9.643 2.937 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.901 -9.903 4.389 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.317 -8.644 2.919 1.00 0.00 C ATOM 502 CD1 ILE A 33 4.873 -10.814 5.062 1.00 0.00 C ATOM 0 H ILE A 33 6.237 -10.214 0.630 1.00 0.00 H new ATOM 0 HA ILE A 33 5.490 -11.791 2.885 1.00 0.00 H new ATOM 0 HB ILE A 33 6.313 -9.210 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.887 -10.367 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.976 -8.960 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.625 -7.715 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.028 -8.441 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.469 -9.067 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.170 -10.998 6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.895 -10.333 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.820 -11.762 4.526 1.00 0.00 H new ATOM 514 N PHE A 34 3.051 -10.926 0.978 1.00 0.00 N ATOM 515 CA PHE A 34 1.582 -11.047 0.784 1.00 0.00 C ATOM 516 C PHE A 34 1.241 -12.399 0.151 1.00 0.00 C ATOM 517 O PHE A 34 1.026 -13.375 0.843 1.00 0.00 O ATOM 518 CB PHE A 34 1.108 -9.917 -0.128 1.00 0.00 C ATOM 519 CG PHE A 34 1.424 -8.586 0.512 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.604 -8.491 1.901 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.559 -7.445 -0.287 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.922 -7.262 2.483 1.00 0.00 C ATOM 523 CE2 PHE A 34 1.871 -6.216 0.300 1.00 0.00 C ATOM 524 CZ PHE A 34 2.056 -6.126 1.684 1.00 0.00 C ATOM 0 H PHE A 34 3.577 -10.677 0.141 1.00 0.00 H new ATOM 0 HA PHE A 34 1.082 -10.979 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.597 -9.990 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.036 -10.003 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.496 -9.369 2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.422 -7.514 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.064 -7.191 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.970 -5.334 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.303 -5.176 2.134 1.00 0.00 H new ATOM 534 N GLY A 35 1.187 -12.461 -1.157 1.00 0.00 N ATOM 535 CA GLY A 35 0.850 -13.745 -1.845 1.00 0.00 C ATOM 536 C GLY A 35 -0.201 -14.516 -1.037 1.00 0.00 C ATOM 537 O GLY A 35 0.115 -15.463 -0.345 1.00 0.00 O ATOM 0 H GLY A 35 1.363 -11.673 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.472 -13.541 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.748 -14.352 -1.960 1.00 0.00 H new ATOM 541 N LYS A 36 -1.447 -14.121 -1.111 1.00 0.00 N ATOM 542 CA LYS A 36 -2.497 -14.845 -0.334 1.00 0.00 C ATOM 543 C LYS A 36 -3.894 -14.317 -0.688 1.00 0.00 C ATOM 544 O LYS A 36 -4.846 -15.068 -0.761 1.00 0.00 O ATOM 545 CB LYS A 36 -2.243 -14.642 1.164 1.00 0.00 C ATOM 546 CG LYS A 36 -3.464 -15.104 1.964 1.00 0.00 C ATOM 547 CD LYS A 36 -3.008 -15.679 3.306 1.00 0.00 C ATOM 548 CE LYS A 36 -2.049 -16.845 3.062 1.00 0.00 C ATOM 549 NZ LYS A 36 -2.311 -17.921 4.059 1.00 0.00 N ATOM 0 H LYS A 36 -1.780 -13.336 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.451 -15.905 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.361 -15.204 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.039 -13.591 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.143 -14.267 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.016 -15.858 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.515 -14.906 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.870 -16.018 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.179 -17.232 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.017 -16.504 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.659 -18.714 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.165 -17.548 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.292 -18.253 3.962 1.00 0.00 H new ATOM 563 N TYR A 37 -4.035 -13.036 -0.896 1.00 0.00 N ATOM 564 CA TYR A 37 -5.389 -12.482 -1.227 1.00 0.00 C ATOM 565 C TYR A 37 -5.593 -12.486 -2.743 1.00 0.00 C ATOM 566 O TYR A 37 -6.230 -13.364 -3.289 1.00 0.00 O ATOM 567 CB TYR A 37 -5.533 -11.045 -0.686 1.00 0.00 C ATOM 568 CG TYR A 37 -4.381 -10.723 0.232 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.389 -11.178 1.556 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.303 -9.979 -0.247 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.311 -10.885 2.400 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.227 -9.690 0.593 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.229 -10.141 1.916 1.00 0.00 C ATOM 574 OH TYR A 37 -1.162 -9.852 2.738 1.00 0.00 O ATOM 0 H TYR A 37 -3.281 -12.350 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.146 -13.109 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.558 -10.337 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.476 -10.942 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.225 -11.754 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.301 -9.627 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.314 -11.232 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.391 -9.117 0.220 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.453 -9.423 2.215 1.00 0.00 H new ATOM 584 N GLY A 38 -5.059 -11.513 -3.427 1.00 0.00 N ATOM 585 CA GLY A 38 -5.225 -11.463 -4.907 1.00 0.00 C ATOM 586 C GLY A 38 -3.851 -11.347 -5.562 1.00 0.00 C ATOM 587 O GLY A 38 -2.834 -11.550 -4.930 1.00 0.00 O ATOM 0 H GLY A 38 -4.514 -10.750 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.734 -12.360 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.848 -10.613 -5.187 1.00 0.00 H new ATOM 591 N SER A 39 -3.810 -11.001 -6.820 1.00 0.00 N ATOM 592 CA SER A 39 -2.496 -10.851 -7.503 1.00 0.00 C ATOM 593 C SER A 39 -2.087 -9.387 -7.430 1.00 0.00 C ATOM 594 O SER A 39 -1.358 -8.882 -8.259 1.00 0.00 O ATOM 595 CB SER A 39 -2.618 -11.288 -8.965 1.00 0.00 C ATOM 596 OG SER A 39 -2.191 -12.638 -9.092 1.00 0.00 O ATOM 0 H SER A 39 -4.627 -10.817 -7.402 1.00 0.00 H new ATOM 0 HA SER A 39 -1.745 -11.474 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.650 -11.188 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.012 -10.642 -9.601 1.00 0.00 H new ATOM 0 HG SER A 39 -2.270 -12.920 -10.027 1.00 0.00 H new ATOM 602 N ILE A 40 -2.563 -8.717 -6.425 1.00 0.00 N ATOM 603 CA ILE A 40 -2.244 -7.274 -6.236 1.00 0.00 C ATOM 604 C ILE A 40 -2.302 -6.547 -7.587 1.00 0.00 C ATOM 605 O ILE A 40 -2.732 -7.091 -8.586 1.00 0.00 O ATOM 606 CB ILE A 40 -0.864 -7.096 -5.585 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.117 -8.449 -5.494 1.00 0.00 C ATOM 608 CG2 ILE A 40 -1.058 -6.502 -4.188 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.888 -8.440 -4.333 1.00 0.00 C ATOM 0 H ILE A 40 -3.173 -9.114 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.986 -6.839 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.259 -6.425 -6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.835 -9.257 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.404 -8.645 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.087 -6.369 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.558 -5.537 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.668 -7.177 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.401 -9.401 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.618 -7.646 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.359 -8.267 -3.396 1.00 0.00 H new ATOM 621 N VAL A 41 -1.922 -5.303 -7.610 1.00 0.00 N ATOM 622 CA VAL A 41 -1.997 -4.505 -8.874 1.00 0.00 C ATOM 623 C VAL A 41 -0.595 -4.026 -9.314 1.00 0.00 C ATOM 624 O VAL A 41 -0.107 -4.358 -10.376 1.00 0.00 O ATOM 625 CB VAL A 41 -2.892 -3.277 -8.619 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.892 -3.130 -9.754 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.673 -3.443 -7.306 1.00 0.00 C ATOM 0 H VAL A 41 -1.559 -4.796 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.408 -5.131 -9.666 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.254 -2.396 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.524 -2.261 -9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.358 -2.999 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.512 -4.024 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.300 -2.566 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.301 -4.332 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.973 -3.549 -6.477 1.00 0.00 H new ATOM 637 N GLN A 42 0.027 -3.238 -8.489 1.00 0.00 N ATOM 638 CA GLN A 42 1.391 -2.678 -8.780 1.00 0.00 C ATOM 639 C GLN A 42 1.887 -1.848 -7.562 1.00 0.00 C ATOM 640 O GLN A 42 1.420 -0.752 -7.322 1.00 0.00 O ATOM 641 CB GLN A 42 1.321 -1.777 -10.013 1.00 0.00 C ATOM 642 CG GLN A 42 2.409 -2.195 -11.003 1.00 0.00 C ATOM 643 CD GLN A 42 3.654 -1.334 -10.791 1.00 0.00 C ATOM 644 OE1 GLN A 42 3.560 -0.213 -10.331 1.00 0.00 O ATOM 645 NE2 GLN A 42 4.825 -1.814 -11.107 1.00 0.00 N ATOM 0 H GLN A 42 -0.359 -2.944 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 42 2.084 -3.498 -8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.339 -1.854 -10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.456 -0.735 -9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.655 -3.248 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.047 -2.083 -12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.903 -2.755 -11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.662 -1.248 -10.968 1.00 0.00 H new ATOM 654 N LYS A 43 2.848 -2.358 -6.806 1.00 0.00 N ATOM 655 CA LYS A 43 3.392 -1.597 -5.620 1.00 0.00 C ATOM 656 C LYS A 43 4.678 -0.894 -6.060 1.00 0.00 C ATOM 657 O LYS A 43 5.532 -1.497 -6.679 1.00 0.00 O ATOM 658 CB LYS A 43 3.732 -2.546 -4.459 1.00 0.00 C ATOM 659 CG LYS A 43 4.125 -3.933 -4.966 1.00 0.00 C ATOM 660 CD LYS A 43 4.329 -4.856 -3.761 1.00 0.00 C ATOM 661 CE LYS A 43 3.049 -4.890 -2.924 1.00 0.00 C ATOM 662 NZ LYS A 43 3.055 -3.751 -1.960 1.00 0.00 N ATOM 0 H LYS A 43 3.278 -3.270 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 43 2.639 -0.887 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.550 -2.127 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.873 -2.631 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.348 -4.331 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.039 -3.875 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.583 -5.861 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.163 -4.502 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.176 -4.827 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.978 -5.835 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.010 -4.118 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.928 -3.198 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.232 -3.141 -2.138 1.00 0.00 H new ATOM 676 N ASN A 44 4.839 0.365 -5.760 1.00 0.00 N ATOM 677 CA ASN A 44 6.089 1.057 -6.190 1.00 0.00 C ATOM 678 C ASN A 44 6.564 2.023 -5.102 1.00 0.00 C ATOM 679 O ASN A 44 5.806 2.444 -4.253 1.00 0.00 O ATOM 680 CB ASN A 44 5.842 1.835 -7.487 1.00 0.00 C ATOM 681 CG ASN A 44 4.370 2.242 -7.583 1.00 0.00 C ATOM 682 OD1 ASN A 44 3.789 2.702 -6.620 1.00 0.00 O ATOM 683 ND2 ASN A 44 3.740 2.091 -8.716 1.00 0.00 N ATOM 0 H ASN A 44 4.172 0.938 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 44 6.858 0.303 -6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.475 2.722 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.115 1.222 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.759 2.359 -8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.229 1.705 -9.524 1.00 0.00 H new ATOM 690 N ILE A 45 7.820 2.378 -5.132 1.00 0.00 N ATOM 691 CA ILE A 45 8.359 3.318 -4.110 1.00 0.00 C ATOM 692 C ILE A 45 8.976 4.528 -4.824 1.00 0.00 C ATOM 693 O ILE A 45 9.663 4.390 -5.818 1.00 0.00 O ATOM 694 CB ILE A 45 9.407 2.576 -3.250 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.113 2.832 -1.770 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.833 3.047 -3.570 1.00 0.00 C ATOM 697 CD1 ILE A 45 10.207 2.190 -0.914 1.00 0.00 C ATOM 0 H ILE A 45 8.498 2.056 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 45 7.566 3.674 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 45 9.342 1.512 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.068 3.904 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.140 2.419 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.544 2.504 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.052 2.856 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.917 4.115 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.998 2.372 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.230 1.116 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.173 2.624 -1.173 1.00 0.00 H new ATOM 709 N LEU A 46 8.735 5.712 -4.331 1.00 0.00 N ATOM 710 CA LEU A 46 9.306 6.920 -4.991 1.00 0.00 C ATOM 711 C LEU A 46 10.204 7.668 -4.006 1.00 0.00 C ATOM 712 O LEU A 46 9.784 8.048 -2.930 1.00 0.00 O ATOM 713 CB LEU A 46 8.170 7.841 -5.448 1.00 0.00 C ATOM 714 CG LEU A 46 6.990 7.724 -4.480 1.00 0.00 C ATOM 715 CD1 LEU A 46 6.057 8.921 -4.663 1.00 0.00 C ATOM 716 CD2 LEU A 46 6.219 6.435 -4.771 1.00 0.00 C ATOM 0 H LEU A 46 8.169 5.895 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 46 9.895 6.613 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.519 8.873 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.854 7.572 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 46 7.363 7.706 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.217 8.837 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.603 9.842 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.685 8.939 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.378 6.350 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.848 6.456 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.881 5.578 -4.643 1.00 0.00 H new ATOM 728 N ARG A 47 11.438 7.881 -4.368 1.00 0.00 N ATOM 729 CA ARG A 47 12.369 8.605 -3.460 1.00 0.00 C ATOM 730 C ARG A 47 12.247 10.113 -3.715 1.00 0.00 C ATOM 731 O ARG A 47 11.160 10.655 -3.739 1.00 0.00 O ATOM 732 CB ARG A 47 13.801 8.140 -3.730 1.00 0.00 C ATOM 733 CG ARG A 47 13.890 6.620 -3.565 1.00 0.00 C ATOM 734 CD ARG A 47 15.111 6.100 -4.326 1.00 0.00 C ATOM 735 NE ARG A 47 14.978 4.631 -4.536 1.00 0.00 N ATOM 736 CZ ARG A 47 15.806 4.007 -5.329 1.00 0.00 C ATOM 737 NH1 ARG A 47 16.250 4.597 -6.405 1.00 0.00 N ATOM 738 NH2 ARG A 47 16.187 2.792 -5.045 1.00 0.00 N ATOM 0 H ARG A 47 11.843 7.584 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 47 12.117 8.395 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.102 8.424 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.489 8.631 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.968 6.361 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.983 6.148 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.198 6.609 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.021 6.317 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 47 14.240 4.113 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.950 5.546 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.897 4.109 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.838 2.331 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.834 2.303 -5.663 1.00 0.00 H new ATOM 752 N ASP A 48 13.344 10.803 -3.906 1.00 0.00 N ATOM 753 CA ASP A 48 13.259 12.268 -4.155 1.00 0.00 C ATOM 754 C ASP A 48 14.287 12.671 -5.213 1.00 0.00 C ATOM 755 O ASP A 48 15.466 12.402 -5.085 1.00 0.00 O ATOM 756 CB ASP A 48 13.543 13.019 -2.854 1.00 0.00 C ATOM 757 CG ASP A 48 12.373 12.826 -1.890 1.00 0.00 C ATOM 758 OD1 ASP A 48 12.254 11.742 -1.342 1.00 0.00 O ATOM 759 OD2 ASP A 48 11.611 13.764 -1.718 1.00 0.00 O ATOM 0 H ASP A 48 14.287 10.415 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 48 12.260 12.519 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.465 12.651 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.689 14.080 -3.058 1.00 0.00 H new ATOM 764 N LYS A 49 13.849 13.315 -6.260 1.00 0.00 N ATOM 765 CA LYS A 49 14.796 13.737 -7.329 1.00 0.00 C ATOM 766 C LYS A 49 14.730 15.257 -7.498 1.00 0.00 C ATOM 767 O LYS A 49 14.878 15.777 -8.586 1.00 0.00 O ATOM 768 CB LYS A 49 14.413 13.060 -8.647 1.00 0.00 C ATOM 769 CG LYS A 49 14.734 11.567 -8.567 1.00 0.00 C ATOM 770 CD LYS A 49 14.250 10.870 -9.841 1.00 0.00 C ATOM 771 CE LYS A 49 12.734 11.030 -9.970 1.00 0.00 C ATOM 772 NZ LYS A 49 12.427 11.986 -11.070 1.00 0.00 N ATOM 0 H LYS A 49 12.874 13.567 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 49 15.809 13.446 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.351 13.204 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.958 13.516 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.807 11.421 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.252 11.127 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.746 11.297 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.513 9.813 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.272 10.064 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.315 11.392 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.422 12.252 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.015 12.837 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.629 11.537 -11.986 1.00 0.00 H new ATOM 786 N LEU A 50 14.507 15.975 -6.429 1.00 0.00 N ATOM 787 CA LEU A 50 14.430 17.462 -6.531 1.00 0.00 C ATOM 788 C LEU A 50 15.158 18.087 -5.338 1.00 0.00 C ATOM 789 O LEU A 50 16.028 18.920 -5.497 1.00 0.00 O ATOM 790 CB LEU A 50 12.964 17.927 -6.530 1.00 0.00 C ATOM 791 CG LEU A 50 12.022 16.735 -6.336 1.00 0.00 C ATOM 792 CD1 LEU A 50 10.654 17.232 -5.862 1.00 0.00 C ATOM 793 CD2 LEU A 50 11.860 15.995 -7.667 1.00 0.00 C ATOM 0 H LEU A 50 14.375 15.597 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 50 14.899 17.776 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.808 18.655 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.735 18.429 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 50 12.440 16.060 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.986 16.382 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.767 17.761 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.234 17.907 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.190 15.146 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.442 16.673 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.833 15.639 -8.006 1.00 0.00 H new ATOM 805 N THR A 51 14.809 17.692 -4.144 1.00 0.00 N ATOM 806 CA THR A 51 15.480 18.265 -2.941 1.00 0.00 C ATOM 807 C THR A 51 16.445 17.233 -2.353 1.00 0.00 C ATOM 808 O THR A 51 17.493 17.570 -1.838 1.00 0.00 O ATOM 809 CB THR A 51 14.426 18.636 -1.894 1.00 0.00 C ATOM 810 OG1 THR A 51 13.768 17.459 -1.445 1.00 0.00 O ATOM 811 CG2 THR A 51 13.404 19.593 -2.510 1.00 0.00 C ATOM 0 H THR A 51 14.088 16.997 -3.949 1.00 0.00 H new ATOM 0 HA THR A 51 16.035 19.158 -3.227 1.00 0.00 H new ATOM 0 HB THR A 51 14.912 19.124 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.095 17.696 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.655 19.856 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.910 20.497 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.918 19.110 -3.357 1.00 0.00 H new ATOM 819 N GLY A 52 16.101 15.976 -2.423 1.00 0.00 N ATOM 820 CA GLY A 52 17.001 14.927 -1.867 1.00 0.00 C ATOM 821 C GLY A 52 16.510 14.512 -0.479 1.00 0.00 C ATOM 822 O GLY A 52 17.281 14.391 0.451 1.00 0.00 O ATOM 0 H GLY A 52 15.237 15.631 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.021 14.062 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.022 15.305 -1.805 1.00 0.00 H new ATOM 826 N ARG A 53 15.232 14.294 -0.332 1.00 0.00 N ATOM 827 CA ARG A 53 14.697 13.886 0.998 1.00 0.00 C ATOM 828 C ARG A 53 15.259 12.513 1.370 1.00 0.00 C ATOM 829 O ARG A 53 15.674 11.761 0.512 1.00 0.00 O ATOM 830 CB ARG A 53 13.171 13.806 0.931 1.00 0.00 C ATOM 831 CG ARG A 53 12.563 14.662 2.042 1.00 0.00 C ATOM 832 CD ARG A 53 11.037 14.585 1.964 1.00 0.00 C ATOM 833 NE ARG A 53 10.442 15.388 3.068 1.00 0.00 N ATOM 834 CZ ARG A 53 9.166 15.660 3.058 1.00 0.00 C ATOM 835 NH1 ARG A 53 8.676 16.461 2.152 1.00 0.00 N ATOM 836 NH2 ARG A 53 8.381 15.129 3.955 1.00 0.00 N ATOM 0 H ARG A 53 14.537 14.380 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 53 14.991 14.619 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.821 14.152 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.846 12.771 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.907 14.312 3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.892 15.696 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.692 14.960 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.710 13.548 2.038 1.00 0.00 H new ATOM 0 HE ARG A 53 11.031 15.725 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.291 16.875 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.678 16.673 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.765 14.503 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.383 15.340 3.949 1.00 0.00 H new ATOM 850 N PRO A 54 15.252 12.232 2.644 1.00 0.00 N ATOM 851 CA PRO A 54 15.776 10.922 3.088 1.00 0.00 C ATOM 852 C PRO A 54 14.624 9.969 3.412 1.00 0.00 C ATOM 853 O PRO A 54 14.822 8.914 3.982 1.00 0.00 O ATOM 854 CB PRO A 54 16.588 11.240 4.343 1.00 0.00 C ATOM 855 CG PRO A 54 16.043 12.575 4.885 1.00 0.00 C ATOM 856 CD PRO A 54 15.321 13.259 3.712 1.00 0.00 C ATOM 0 HA PRO A 54 16.377 10.431 2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.484 10.448 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.650 11.320 4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.359 12.406 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.853 13.201 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.325 13.591 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.866 14.141 3.375 1.00 0.00 H new ATOM 864 N ARG A 55 13.425 10.329 3.045 1.00 0.00 N ATOM 865 CA ARG A 55 12.261 9.450 3.322 1.00 0.00 C ATOM 866 C ARG A 55 11.119 9.868 2.404 1.00 0.00 C ATOM 867 O ARG A 55 10.268 10.650 2.777 1.00 0.00 O ATOM 868 CB ARG A 55 11.824 9.612 4.782 1.00 0.00 C ATOM 869 CG ARG A 55 12.943 9.141 5.710 1.00 0.00 C ATOM 870 CD ARG A 55 12.390 8.957 7.125 1.00 0.00 C ATOM 871 NE ARG A 55 11.322 9.968 7.378 1.00 0.00 N ATOM 872 CZ ARG A 55 11.598 11.066 8.029 1.00 0.00 C ATOM 873 NH1 ARG A 55 12.813 11.543 8.027 1.00 0.00 N ATOM 874 NH2 ARG A 55 10.654 11.689 8.681 1.00 0.00 N ATOM 0 H ARG A 55 13.203 11.200 2.563 1.00 0.00 H new ATOM 0 HA ARG A 55 12.530 8.408 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.584 10.655 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.918 9.035 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.360 8.202 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.754 9.869 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.988 7.951 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.190 9.067 7.857 1.00 0.00 H new ATOM 0 HE ARG A 55 10.374 9.801 7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.550 11.058 7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.025 12.401 8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.704 11.318 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.867 12.547 9.190 1.00 0.00 H new ATOM 888 N GLY A 56 11.092 9.365 1.203 1.00 0.00 N ATOM 889 CA GLY A 56 10.009 9.751 0.276 1.00 0.00 C ATOM 890 C GLY A 56 8.715 9.079 0.714 1.00 0.00 C ATOM 891 O GLY A 56 8.151 9.398 1.743 1.00 0.00 O ATOM 0 H GLY A 56 11.774 8.705 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.887 10.834 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.261 9.453 -0.742 1.00 0.00 H new ATOM 895 N VAL A 57 8.239 8.157 -0.060 1.00 0.00 N ATOM 896 CA VAL A 57 6.973 7.465 0.305 1.00 0.00 C ATOM 897 C VAL A 57 6.839 6.173 -0.501 1.00 0.00 C ATOM 898 O VAL A 57 7.427 6.020 -1.553 1.00 0.00 O ATOM 899 CB VAL A 57 5.798 8.396 0.009 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.544 9.282 1.232 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.139 9.284 -1.192 1.00 0.00 C ATOM 0 H VAL A 57 8.668 7.848 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 57 6.980 7.214 1.366 1.00 0.00 H new ATOM 0 HB VAL A 57 4.910 7.805 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.707 9.950 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.309 8.656 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.435 9.872 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.301 9.948 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.024 9.878 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.335 8.659 -2.063 1.00 0.00 H new ATOM 911 N ALA A 58 6.068 5.246 -0.012 1.00 0.00 N ATOM 912 CA ALA A 58 5.884 3.956 -0.737 1.00 0.00 C ATOM 913 C ALA A 58 4.458 3.873 -1.294 1.00 0.00 C ATOM 914 O ALA A 58 3.625 4.723 -1.040 1.00 0.00 O ATOM 915 CB ALA A 58 6.119 2.795 0.226 1.00 0.00 C ATOM 0 H ALA A 58 5.553 5.325 0.865 1.00 0.00 H new ATOM 0 HA ALA A 58 6.597 3.901 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.985 1.851 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.134 2.849 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.406 2.855 1.049 1.00 0.00 H new ATOM 921 N PHE A 59 4.174 2.855 -2.059 1.00 0.00 N ATOM 922 CA PHE A 59 2.813 2.713 -2.647 1.00 0.00 C ATOM 923 C PHE A 59 2.416 1.236 -2.683 1.00 0.00 C ATOM 924 O PHE A 59 2.871 0.494 -3.531 1.00 0.00 O ATOM 925 CB PHE A 59 2.836 3.237 -4.087 1.00 0.00 C ATOM 926 CG PHE A 59 2.305 4.647 -4.141 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.110 5.715 -3.729 1.00 0.00 C ATOM 928 CD2 PHE A 59 1.009 4.889 -4.614 1.00 0.00 C ATOM 929 CE1 PHE A 59 2.620 7.024 -3.789 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.520 6.198 -4.674 1.00 0.00 C ATOM 931 CZ PHE A 59 1.325 7.267 -4.261 1.00 0.00 C ATOM 0 H PHE A 59 4.829 2.112 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 59 2.101 3.275 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.854 3.210 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.235 2.590 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.110 5.529 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.388 4.065 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.242 7.848 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.479 6.385 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.947 8.278 -4.307 1.00 0.00 H new ATOM 941 N VAL A 60 1.558 0.792 -1.801 1.00 0.00 N ATOM 942 CA VAL A 60 1.152 -0.642 -1.863 1.00 0.00 C ATOM 943 C VAL A 60 0.064 -0.756 -2.908 1.00 0.00 C ATOM 944 O VAL A 60 -0.582 0.213 -3.273 1.00 0.00 O ATOM 945 CB VAL A 60 0.655 -1.146 -0.476 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.550 -2.107 -0.592 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.781 -1.901 0.231 1.00 0.00 C ATOM 0 H VAL A 60 1.130 1.345 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 60 2.004 -1.267 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 60 0.347 -0.263 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.856 -2.428 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.379 -1.594 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.265 -2.978 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.430 -2.252 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.084 -2.754 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.633 -1.235 0.372 1.00 0.00 H new ATOM 957 N ARG A 61 -0.124 -1.926 -3.414 1.00 0.00 N ATOM 958 CA ARG A 61 -1.132 -2.095 -4.468 1.00 0.00 C ATOM 959 C ARG A 61 -2.232 -3.060 -4.069 1.00 0.00 C ATOM 960 O ARG A 61 -1.991 -4.141 -3.581 1.00 0.00 O ATOM 961 CB ARG A 61 -0.459 -2.650 -5.696 1.00 0.00 C ATOM 962 CG ARG A 61 0.713 -3.558 -5.304 1.00 0.00 C ATOM 963 CD ARG A 61 1.014 -4.552 -6.438 1.00 0.00 C ATOM 964 NE ARG A 61 1.722 -5.742 -5.895 1.00 0.00 N ATOM 965 CZ ARG A 61 2.422 -6.500 -6.698 1.00 0.00 C ATOM 966 NH1 ARG A 61 2.045 -6.669 -7.935 1.00 0.00 N ATOM 967 NH2 ARG A 61 3.502 -7.086 -6.263 1.00 0.00 N ATOM 0 H ARG A 61 0.377 -2.772 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.580 -1.118 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.180 -3.213 -6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.100 -1.833 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.596 -2.955 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.473 -4.100 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.086 -4.859 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.626 -4.071 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 61 1.662 -5.965 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.202 -6.209 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.593 -7.261 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.800 -6.953 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.049 -7.678 -6.889 1.00 0.00 H new ATOM 981 N TYR A 62 -3.436 -2.674 -4.346 1.00 0.00 N ATOM 982 CA TYR A 62 -4.608 -3.532 -4.066 1.00 0.00 C ATOM 983 C TYR A 62 -5.706 -3.093 -5.028 1.00 0.00 C ATOM 984 O TYR A 62 -5.879 -1.920 -5.271 1.00 0.00 O ATOM 985 CB TYR A 62 -5.064 -3.337 -2.620 1.00 0.00 C ATOM 986 CG TYR A 62 -4.408 -4.377 -1.741 1.00 0.00 C ATOM 987 CD1 TYR A 62 -3.077 -4.219 -1.334 1.00 0.00 C ATOM 988 CD2 TYR A 62 -5.134 -5.497 -1.327 1.00 0.00 C ATOM 989 CE1 TYR A 62 -2.476 -5.176 -0.514 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.531 -6.458 -0.508 1.00 0.00 C ATOM 991 CZ TYR A 62 -3.201 -6.295 -0.102 1.00 0.00 C ATOM 992 OH TYR A 62 -2.608 -7.227 0.714 1.00 0.00 O ATOM 0 H TYR A 62 -3.663 -1.773 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.368 -4.587 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.801 -2.337 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.149 -3.422 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.514 -3.355 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.160 -5.621 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.451 -5.050 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.091 -7.325 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.600 -8.098 0.264 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.427 -3.998 -5.611 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.474 -3.564 -6.573 1.00 0.00 C ATOM 1004 C ASN A 63 -8.854 -4.008 -6.087 1.00 0.00 C ATOM 1005 O ASN A 63 -9.772 -3.217 -6.011 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.167 -4.154 -7.949 1.00 0.00 C ATOM 1007 CG ASN A 63 -7.611 -5.620 -8.001 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -8.789 -5.911 -8.056 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -6.709 -6.562 -7.985 1.00 0.00 N ATOM 0 H ASN A 63 -6.343 -5.005 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.477 -2.476 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.681 -3.582 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.099 -4.081 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.993 -7.541 -8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.719 -6.320 -7.939 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.013 -5.254 -5.740 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.340 -5.706 -5.245 1.00 0.00 C ATOM 1018 C LYS A 64 -10.750 -4.792 -4.092 1.00 0.00 C ATOM 1019 O LYS A 64 -9.944 -4.457 -3.252 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.232 -7.149 -4.748 1.00 0.00 C ATOM 1021 CG LYS A 64 -10.769 -8.105 -5.815 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.221 -8.464 -5.497 1.00 0.00 C ATOM 1023 CE LYS A 64 -12.273 -9.844 -4.837 1.00 0.00 C ATOM 1024 NZ LYS A 64 -13.558 -9.992 -4.100 1.00 0.00 N ATOM 0 H LYS A 64 -8.289 -5.972 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.082 -5.663 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.193 -7.389 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.796 -7.268 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.706 -7.641 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.159 -9.008 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.655 -7.716 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.815 -8.464 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.183 -10.624 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.433 -9.964 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.595 -10.929 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.626 -9.255 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.352 -9.895 -4.764 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.983 -4.372 -4.040 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.399 -3.473 -2.928 1.00 0.00 C ATOM 1040 C ARG A 65 -12.252 -4.219 -1.602 1.00 0.00 C ATOM 1041 O ARG A 65 -11.761 -3.682 -0.628 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.852 -3.038 -3.125 1.00 0.00 C ATOM 1043 CG ARG A 65 -13.890 -1.800 -4.024 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.755 -2.231 -5.486 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.053 -2.788 -5.958 1.00 0.00 N ATOM 1046 CZ ARG A 65 -15.874 -2.044 -6.651 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -15.448 -1.414 -7.711 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.121 -1.931 -6.281 1.00 0.00 N ATOM 0 H ARG A 65 -12.714 -4.609 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.767 -2.585 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.428 -3.846 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.312 -2.817 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.825 -1.259 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.082 -1.118 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.466 -1.380 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.968 -2.979 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.302 -3.753 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.474 -1.502 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.089 -0.833 -8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.454 -2.423 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.763 -1.351 -6.821 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.658 -5.457 -1.558 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.522 -6.236 -0.297 1.00 0.00 C ATOM 1064 C GLU A 66 -11.042 -6.544 -0.066 1.00 0.00 C ATOM 1065 O GLU A 66 -10.534 -6.426 1.033 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.309 -7.544 -0.415 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.735 -7.330 0.097 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.677 -8.327 -0.579 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.523 -8.548 -1.768 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.540 -8.853 0.106 1.00 0.00 O ATOM 0 H GLU A 66 -13.077 -5.962 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.915 -5.659 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.330 -7.876 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.819 -8.329 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.767 -7.460 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.058 -6.310 -0.112 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.342 -6.931 -1.098 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.895 -7.239 -0.938 1.00 0.00 C ATOM 1079 C GLU A 67 -8.157 -5.981 -0.479 1.00 0.00 C ATOM 1080 O GLU A 67 -7.127 -6.055 0.159 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.318 -7.718 -2.271 1.00 0.00 C ATOM 1082 CG GLU A 67 -7.238 -8.769 -2.008 1.00 0.00 C ATOM 1083 CD GLU A 67 -7.868 -10.163 -2.027 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.582 -10.481 -1.091 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -7.625 -10.888 -2.976 1.00 0.00 O ATOM 0 H GLU A 67 -10.710 -7.047 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.772 -8.025 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.109 -8.140 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.896 -6.877 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.457 -8.701 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.764 -8.586 -1.044 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.675 -4.820 -0.778 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.987 -3.582 -0.328 1.00 0.00 C ATOM 1094 C ALA A 68 -8.197 -3.451 1.177 1.00 0.00 C ATOM 1095 O ALA A 68 -7.263 -3.248 1.927 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.559 -2.358 -1.041 1.00 0.00 C ATOM 0 H ALA A 68 -9.535 -4.678 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.925 -3.641 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.042 -1.462 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.422 -2.466 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.622 -2.271 -0.818 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.415 -3.602 1.632 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.656 -3.522 3.096 1.00 0.00 C ATOM 1104 C GLN A 69 -8.634 -4.437 3.766 1.00 0.00 C ATOM 1105 O GLN A 69 -8.144 -4.163 4.843 1.00 0.00 O ATOM 1106 CB GLN A 69 -11.078 -3.991 3.418 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.410 -3.679 4.882 1.00 0.00 C ATOM 1108 CD GLN A 69 -10.991 -2.245 5.216 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -10.427 -1.994 6.263 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -11.247 -1.286 4.368 1.00 0.00 N ATOM 0 H GLN A 69 -10.240 -3.775 1.058 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.553 -2.498 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.792 -3.495 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.167 -5.062 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.478 -3.805 5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.895 -4.380 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.720 -1.495 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.974 -0.327 4.584 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.280 -5.512 3.106 1.00 0.00 N ATOM 1120 CA GLU A 70 -7.254 -6.427 3.673 1.00 0.00 C ATOM 1121 C GLU A 70 -5.988 -5.624 3.874 1.00 0.00 C ATOM 1122 O GLU A 70 -5.565 -5.365 4.974 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.936 -7.546 2.682 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.489 -8.877 3.196 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.950 -8.700 3.616 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -9.539 -7.703 3.232 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.455 -9.565 4.311 1.00 0.00 O ATOM 0 H GLU A 70 -8.659 -5.791 2.201 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.623 -6.857 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.370 -7.315 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.858 -7.622 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.413 -9.638 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.897 -9.226 4.042 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.387 -5.220 2.795 1.00 0.00 N ATOM 1135 CA ALA A 71 -4.144 -4.424 2.884 1.00 0.00 C ATOM 1136 C ALA A 71 -4.313 -3.320 3.935 1.00 0.00 C ATOM 1137 O ALA A 71 -3.356 -2.817 4.474 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.848 -3.814 1.515 1.00 0.00 C ATOM 0 H ALA A 71 -5.710 -5.411 1.846 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.312 -5.062 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.933 -3.225 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.724 -4.610 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.676 -3.171 1.216 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.521 -2.942 4.248 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.705 -1.889 5.284 1.00 0.00 C ATOM 1146 C ILE A 72 -5.429 -2.501 6.658 1.00 0.00 C ATOM 1147 O ILE A 72 -4.435 -2.207 7.292 1.00 0.00 O ATOM 1148 CB ILE A 72 -7.140 -1.359 5.244 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.426 -0.754 3.866 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.315 -0.289 6.326 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.743 0.611 3.743 1.00 0.00 C ATOM 0 H ILE A 72 -6.379 -3.311 3.837 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.018 -1.064 5.093 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.837 -2.177 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.065 -1.422 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.501 -0.646 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.336 0.091 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.115 -0.725 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.619 0.530 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.951 1.035 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.125 1.280 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.667 0.492 3.866 1.00 0.00 H new ATOM 1163 N SER A 73 -6.303 -3.364 7.115 1.00 0.00 N ATOM 1164 CA SER A 73 -6.110 -4.015 8.448 1.00 0.00 C ATOM 1165 C SER A 73 -5.171 -5.222 8.321 1.00 0.00 C ATOM 1166 O SER A 73 -5.188 -6.121 9.139 1.00 0.00 O ATOM 1167 CB SER A 73 -7.465 -4.492 8.970 1.00 0.00 C ATOM 1168 OG SER A 73 -7.517 -4.307 10.377 1.00 0.00 O ATOM 0 H SER A 73 -7.148 -3.647 6.618 1.00 0.00 H new ATOM 0 HA SER A 73 -5.671 -3.293 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.269 -3.936 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.613 -5.544 8.724 1.00 0.00 H new ATOM 0 HG SER A 73 -8.385 -4.610 10.715 1.00 0.00 H new ATOM 1174 N ALA A 74 -4.358 -5.251 7.305 1.00 0.00 N ATOM 1175 CA ALA A 74 -3.421 -6.392 7.114 1.00 0.00 C ATOM 1176 C ALA A 74 -2.073 -5.834 6.665 1.00 0.00 C ATOM 1177 O ALA A 74 -1.042 -6.135 7.235 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.972 -7.339 6.044 1.00 0.00 C ATOM 0 H ALA A 74 -4.301 -4.525 6.590 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.307 -6.946 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.284 -8.173 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.944 -7.719 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.081 -6.800 5.103 1.00 0.00 H new ATOM 1184 N LEU A 75 -2.074 -4.999 5.661 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.793 -4.401 5.203 1.00 0.00 C ATOM 1186 C LEU A 75 -0.443 -3.254 6.158 1.00 0.00 C ATOM 1187 O LEU A 75 0.692 -3.114 6.565 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.933 -3.877 3.763 1.00 0.00 C ATOM 1189 CG LEU A 75 -0.157 -4.781 2.798 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -1.067 -5.905 2.289 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.324 -3.958 1.601 1.00 0.00 C ATOM 0 H LEU A 75 -2.903 -4.708 5.142 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.002 -5.151 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.985 -3.846 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.556 -2.856 3.701 1.00 0.00 H new ATOM 0 HG LEU A 75 0.696 -5.209 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.509 -6.543 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.419 -6.499 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.922 -5.473 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.876 -4.601 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.535 -3.530 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.975 -3.156 1.949 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.415 -2.449 6.544 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.132 -1.330 7.494 1.00 0.00 C ATOM 1205 C ASN A 76 -0.140 -1.809 8.550 1.00 0.00 C ATOM 1206 O ASN A 76 -0.492 -2.510 9.478 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.425 -0.894 8.183 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.099 0.130 9.270 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -2.543 0.003 10.395 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.335 1.148 8.982 1.00 0.00 N ATOM 0 H ASN A 76 -2.386 -2.523 6.240 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.714 -0.487 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.111 -0.462 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.927 -1.758 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.111 1.837 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.962 1.255 8.039 1.00 0.00 H new ATOM 1217 N ASN A 77 1.099 -1.445 8.396 1.00 0.00 N ATOM 1218 CA ASN A 77 2.145 -1.878 9.363 1.00 0.00 C ATOM 1219 C ASN A 77 2.585 -3.302 9.024 1.00 0.00 C ATOM 1220 O ASN A 77 2.157 -4.259 9.637 1.00 0.00 O ATOM 1221 CB ASN A 77 1.597 -1.830 10.793 1.00 0.00 C ATOM 1222 CG ASN A 77 0.804 -0.536 10.984 1.00 0.00 C ATOM 1223 OD1 ASN A 77 0.853 0.346 10.150 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.072 -0.383 12.053 1.00 0.00 N ATOM 0 H ASN A 77 1.437 -0.859 7.633 1.00 0.00 H new ATOM 0 HA ASN A 77 2.999 -1.204 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.958 -2.693 10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.416 -1.878 11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.459 0.477 12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.031 -1.124 12.753 1.00 0.00 H new ATOM 1231 N VAL A 78 3.440 -3.446 8.045 1.00 0.00 N ATOM 1232 CA VAL A 78 3.918 -4.803 7.657 1.00 0.00 C ATOM 1233 C VAL A 78 5.104 -5.188 8.551 1.00 0.00 C ATOM 1234 O VAL A 78 6.163 -5.553 8.079 1.00 0.00 O ATOM 1235 CB VAL A 78 4.352 -4.793 6.182 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.312 -3.626 5.938 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.055 -6.109 5.846 1.00 0.00 C ATOM 0 H VAL A 78 3.828 -2.678 7.497 1.00 0.00 H new ATOM 0 HA VAL A 78 3.116 -5.530 7.784 1.00 0.00 H new ATOM 0 HB VAL A 78 3.473 -4.679 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.619 -3.620 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.811 -2.687 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.191 -3.739 6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.362 -6.101 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.933 -6.225 6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.371 -6.941 6.017 1.00 0.00 H new ATOM 1247 N ILE A 79 4.932 -5.107 9.846 1.00 0.00 N ATOM 1248 CA ILE A 79 6.041 -5.467 10.776 1.00 0.00 C ATOM 1249 C ILE A 79 5.615 -6.665 11.628 1.00 0.00 C ATOM 1250 O ILE A 79 4.481 -7.098 11.569 1.00 0.00 O ATOM 1251 CB ILE A 79 6.347 -4.280 11.694 1.00 0.00 C ATOM 1252 CG1 ILE A 79 5.036 -3.614 12.123 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.213 -3.262 10.951 1.00 0.00 C ATOM 1254 CD1 ILE A 79 5.290 -2.730 13.346 1.00 0.00 C ATOM 0 H ILE A 79 4.069 -4.806 10.299 1.00 0.00 H new ATOM 0 HA ILE A 79 6.931 -5.720 10.200 1.00 0.00 H new ATOM 0 HB ILE A 79 6.882 -4.636 12.574 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.635 -3.015 11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.290 -4.373 12.358 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.428 -2.419 11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.148 -3.733 10.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.681 -2.907 10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.358 -2.256 13.652 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.672 -3.341 14.164 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.022 -1.963 13.095 1.00 0.00 H new ATOM 1266 N PRO A 80 6.544 -7.158 12.399 1.00 0.00 N ATOM 1267 CA PRO A 80 6.222 -8.313 13.262 1.00 0.00 C ATOM 1268 C PRO A 80 5.725 -7.828 14.626 1.00 0.00 C ATOM 1269 O PRO A 80 5.750 -8.551 15.602 1.00 0.00 O ATOM 1270 CB PRO A 80 7.546 -9.065 13.405 1.00 0.00 C ATOM 1271 CG PRO A 80 8.657 -8.039 13.116 1.00 0.00 C ATOM 1272 CD PRO A 80 7.999 -6.884 12.341 1.00 0.00 C ATOM 0 HA PRO A 80 5.435 -8.942 12.847 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.651 -9.481 14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.596 -9.900 12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.102 -7.679 14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.459 -8.490 12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.237 -5.921 12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.353 -6.849 11.311 1.00 0.00 H new ATOM 1280 N GLU A 81 5.275 -6.605 14.699 1.00 0.00 N ATOM 1281 CA GLU A 81 4.775 -6.066 15.996 1.00 0.00 C ATOM 1282 C GLU A 81 5.949 -5.882 16.960 1.00 0.00 C ATOM 1283 O GLU A 81 6.087 -6.602 17.928 1.00 0.00 O ATOM 1284 CB GLU A 81 3.768 -7.045 16.601 1.00 0.00 C ATOM 1285 CG GLU A 81 2.442 -6.325 16.855 1.00 0.00 C ATOM 1286 CD GLU A 81 1.453 -7.295 17.503 1.00 0.00 C ATOM 1287 OE1 GLU A 81 1.575 -8.484 17.260 1.00 0.00 O ATOM 1288 OE2 GLU A 81 0.591 -6.833 18.232 1.00 0.00 O ATOM 0 H GLU A 81 5.232 -5.954 13.915 1.00 0.00 H new ATOM 0 HA GLU A 81 4.291 -5.104 15.826 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.613 -7.887 15.926 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.157 -7.452 17.534 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.602 -5.464 17.504 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.036 -5.947 15.917 1.00 0.00 H new ATOM 1295 N GLY A 82 6.796 -4.923 16.701 1.00 0.00 N ATOM 1296 CA GLY A 82 7.961 -4.694 17.604 1.00 0.00 C ATOM 1297 C GLY A 82 8.980 -3.785 16.910 1.00 0.00 C ATOM 1298 O GLY A 82 9.680 -3.022 17.545 1.00 0.00 O ATOM 0 H GLY A 82 6.732 -4.289 15.905 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.627 -4.238 18.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.425 -5.646 17.863 1.00 0.00 H new ATOM 1302 N GLY A 83 9.072 -3.863 15.609 1.00 0.00 N ATOM 1303 CA GLY A 83 10.050 -3.007 14.875 1.00 0.00 C ATOM 1304 C GLY A 83 9.528 -1.572 14.803 1.00 0.00 C ATOM 1305 O GLY A 83 8.970 -1.054 15.749 1.00 0.00 O ATOM 0 H GLY A 83 8.512 -4.482 15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.016 -3.028 15.379 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.207 -3.398 13.870 1.00 0.00 H new ATOM 1309 N SER A 84 9.709 -0.922 13.685 1.00 0.00 N ATOM 1310 CA SER A 84 9.226 0.481 13.553 1.00 0.00 C ATOM 1311 C SER A 84 9.109 0.840 12.071 1.00 0.00 C ATOM 1312 O SER A 84 9.414 1.943 11.664 1.00 0.00 O ATOM 1313 CB SER A 84 10.219 1.427 14.228 1.00 0.00 C ATOM 1314 OG SER A 84 11.476 0.775 14.355 1.00 0.00 O ATOM 0 H SER A 84 10.170 -1.302 12.858 1.00 0.00 H new ATOM 0 HA SER A 84 8.251 0.577 14.030 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.327 2.339 13.641 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.848 1.722 15.210 1.00 0.00 H new ATOM 0 HG SER A 84 12.116 1.379 14.786 1.00 0.00 H new ATOM 1320 N GLN A 85 8.673 -0.085 11.261 1.00 0.00 N ATOM 1321 CA GLN A 85 8.539 0.205 9.807 1.00 0.00 C ATOM 1322 C GLN A 85 7.152 -0.225 9.325 1.00 0.00 C ATOM 1323 O GLN A 85 6.989 -1.303 8.787 1.00 0.00 O ATOM 1324 CB GLN A 85 9.609 -0.566 9.034 1.00 0.00 C ATOM 1325 CG GLN A 85 10.901 -0.601 9.851 1.00 0.00 C ATOM 1326 CD GLN A 85 11.471 0.814 9.964 1.00 0.00 C ATOM 1327 OE1 GLN A 85 11.182 1.664 9.146 1.00 0.00 O ATOM 1328 NE2 GLN A 85 12.274 1.104 10.950 1.00 0.00 N ATOM 0 H GLN A 85 8.404 -1.028 11.543 1.00 0.00 H new ATOM 0 HA GLN A 85 8.666 1.274 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.266 -1.581 8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.789 -0.092 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.705 -1.006 10.844 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.627 -1.260 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.517 0.390 11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.659 2.045 11.034 1.00 0.00 H new ATOM 1337 N PRO A 86 6.197 0.638 9.536 1.00 0.00 N ATOM 1338 CA PRO A 86 4.822 0.310 9.105 1.00 0.00 C ATOM 1339 C PRO A 86 4.428 1.170 7.902 1.00 0.00 C ATOM 1340 O PRO A 86 5.060 2.165 7.609 1.00 0.00 O ATOM 1341 CB PRO A 86 3.952 0.651 10.315 1.00 0.00 C ATOM 1342 CG PRO A 86 4.751 1.671 11.147 1.00 0.00 C ATOM 1343 CD PRO A 86 6.223 1.526 10.723 1.00 0.00 C ATOM 0 HA PRO A 86 4.715 -0.730 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.996 1.069 10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.733 -0.242 10.900 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.393 2.684 10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.634 1.478 12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.661 2.494 10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.824 1.096 11.524 1.00 0.00 H new ATOM 1351 N LEU A 87 3.387 0.801 7.206 1.00 0.00 N ATOM 1352 CA LEU A 87 2.967 1.613 6.033 1.00 0.00 C ATOM 1353 C LEU A 87 1.626 2.285 6.307 1.00 0.00 C ATOM 1354 O LEU A 87 0.636 1.633 6.577 1.00 0.00 O ATOM 1355 CB LEU A 87 2.807 0.758 4.761 1.00 0.00 C ATOM 1356 CG LEU A 87 3.046 -0.735 5.009 1.00 0.00 C ATOM 1357 CD1 LEU A 87 1.710 -1.473 4.934 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.963 -1.277 3.912 1.00 0.00 C ATOM 0 H LEU A 87 2.814 -0.021 7.398 1.00 0.00 H new ATOM 0 HA LEU A 87 3.752 2.352 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.803 0.898 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.506 1.111 4.002 1.00 0.00 H new ATOM 0 HG LEU A 87 3.501 -0.880 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.872 -2.537 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.033 -1.079 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.271 -1.331 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.140 -2.340 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.490 -1.136 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.913 -0.743 3.935 1.00 0.00 H new ATOM 1370 N SER A 88 1.571 3.581 6.183 1.00 0.00 N ATOM 1371 CA SER A 88 0.280 4.281 6.373 1.00 0.00 C ATOM 1372 C SER A 88 -0.489 4.088 5.074 1.00 0.00 C ATOM 1373 O SER A 88 -0.145 4.655 4.054 1.00 0.00 O ATOM 1374 CB SER A 88 0.518 5.769 6.631 1.00 0.00 C ATOM 1375 OG SER A 88 1.499 5.919 7.650 1.00 0.00 O ATOM 0 H SER A 88 2.365 4.181 5.959 1.00 0.00 H new ATOM 0 HA SER A 88 -0.269 3.888 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.850 6.260 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.412 6.251 6.932 1.00 0.00 H new ATOM 0 HG SER A 88 1.655 6.872 7.816 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.478 3.238 5.092 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.232 2.926 3.846 1.00 0.00 C ATOM 1383 C VAL A 89 -3.224 4.047 3.488 1.00 0.00 C ATOM 1384 O VAL A 89 -3.142 5.139 4.009 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.958 1.598 4.058 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.923 0.523 4.414 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.956 1.741 5.208 1.00 0.00 C ATOM 0 H VAL A 89 -1.799 2.742 5.924 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.540 2.848 3.008 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.492 1.317 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.427 -0.431 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.204 0.426 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.401 0.809 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.474 0.794 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.424 2.014 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.682 2.517 4.965 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.118 3.767 2.556 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.122 4.773 2.054 1.00 0.00 C ATOM 1399 C ARG A 90 -4.665 5.258 0.673 1.00 0.00 C ATOM 1400 O ARG A 90 -3.697 5.982 0.551 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.242 5.976 2.997 1.00 0.00 C ATOM 1402 CG ARG A 90 -6.346 6.909 2.493 1.00 0.00 C ATOM 1403 CD ARG A 90 -6.017 8.348 2.894 1.00 0.00 C ATOM 1404 NE ARG A 90 -6.975 8.804 3.942 1.00 0.00 N ATOM 1405 CZ ARG A 90 -6.824 8.415 5.178 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -6.971 7.156 5.491 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -6.523 9.284 6.104 1.00 0.00 N ATOM 0 H ARG A 90 -4.194 2.853 2.110 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.100 4.294 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.470 5.638 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.293 6.510 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.435 6.833 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.307 6.613 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.995 8.408 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.075 9.002 2.024 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.749 9.420 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.204 6.475 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.853 6.854 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.406 10.268 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.405 8.979 7.070 1.00 0.00 H new ATOM 1421 N LEU A 91 -5.352 4.849 -0.365 1.00 0.00 N ATOM 1422 CA LEU A 91 -4.971 5.262 -1.754 1.00 0.00 C ATOM 1423 C LEU A 91 -4.464 6.703 -1.757 1.00 0.00 C ATOM 1424 O LEU A 91 -4.922 7.539 -1.004 1.00 0.00 O ATOM 1425 CB LEU A 91 -6.195 5.160 -2.662 1.00 0.00 C ATOM 1426 CG LEU A 91 -5.760 5.063 -4.127 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -5.279 3.644 -4.432 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -6.949 5.391 -5.032 1.00 0.00 C ATOM 0 H LEU A 91 -6.169 4.241 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.180 4.605 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.785 4.285 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.834 6.032 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.949 5.769 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.971 3.581 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.434 3.400 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.089 2.938 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.642 5.323 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.756 4.682 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.298 6.402 -4.822 1.00 0.00 H new ATOM 1440 N ALA A 92 -3.519 6.995 -2.606 1.00 0.00 N ATOM 1441 CA ALA A 92 -2.973 8.377 -2.676 1.00 0.00 C ATOM 1442 C ALA A 92 -3.955 9.273 -3.428 1.00 0.00 C ATOM 1443 O ALA A 92 -4.561 10.163 -2.865 1.00 0.00 O ATOM 1444 CB ALA A 92 -1.636 8.348 -3.415 1.00 0.00 C ATOM 0 H ALA A 92 -3.100 6.332 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.827 8.769 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.229 9.358 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.938 7.704 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.786 7.961 -4.423 1.00 0.00 H new ATOM 1450 N GLU A 93 -4.118 9.038 -4.697 1.00 0.00 N ATOM 1451 CA GLU A 93 -5.063 9.864 -5.500 1.00 0.00 C ATOM 1452 C GLU A 93 -6.189 8.974 -6.028 1.00 0.00 C ATOM 1453 O GLU A 93 -6.322 7.830 -5.642 1.00 0.00 O ATOM 1454 CB GLU A 93 -4.316 10.495 -6.677 1.00 0.00 C ATOM 1455 CG GLU A 93 -3.589 11.756 -6.205 1.00 0.00 C ATOM 1456 CD GLU A 93 -4.589 12.707 -5.545 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -5.720 12.753 -5.998 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -4.205 13.374 -4.598 1.00 0.00 O ATOM 0 H GLU A 93 -3.635 8.305 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.483 10.651 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.601 9.784 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.016 10.743 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.802 11.492 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.107 12.248 -7.050 1.00 0.00 H new ATOM 1465 N GLU A 94 -7.003 9.493 -6.906 1.00 0.00 N ATOM 1466 CA GLU A 94 -8.125 8.677 -7.455 1.00 0.00 C ATOM 1467 C GLU A 94 -7.665 7.940 -8.717 1.00 0.00 C ATOM 1468 O GLU A 94 -8.458 7.349 -9.423 1.00 0.00 O ATOM 1469 CB GLU A 94 -9.301 9.593 -7.801 1.00 0.00 C ATOM 1470 CG GLU A 94 -8.892 10.555 -8.919 1.00 0.00 C ATOM 1471 CD GLU A 94 -10.084 10.803 -9.844 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -11.064 10.086 -9.720 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -9.999 11.705 -10.660 1.00 0.00 O ATOM 0 H GLU A 94 -6.941 10.445 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.436 7.948 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.158 8.998 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.609 10.155 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.547 11.497 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.060 10.137 -9.486 1.00 0.00 H new ATOM 1480 N HIS A 95 -6.392 7.965 -9.008 1.00 0.00 N ATOM 1481 CA HIS A 95 -5.899 7.260 -10.226 1.00 0.00 C ATOM 1482 C HIS A 95 -5.352 5.883 -9.834 1.00 0.00 C ATOM 1483 O HIS A 95 -5.411 4.941 -10.599 1.00 0.00 O ATOM 1484 CB HIS A 95 -4.797 8.094 -10.892 1.00 0.00 C ATOM 1485 CG HIS A 95 -3.510 7.953 -10.123 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -2.693 6.841 -10.249 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -2.888 8.777 -9.219 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -1.634 7.024 -9.439 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -1.703 8.188 -8.787 1.00 0.00 N ATOM 0 H HIS A 95 -5.676 8.440 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.721 7.130 -10.930 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.653 7.766 -11.922 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.095 9.142 -10.930 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.863 6.032 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.261 9.736 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.826 6.316 -9.329 1.00 0.00 H new ATOM 1497 N GLY A 96 -4.827 5.758 -8.645 1.00 0.00 N ATOM 1498 CA GLY A 96 -4.284 4.441 -8.202 1.00 0.00 C ATOM 1499 C GLY A 96 -3.360 3.873 -9.281 1.00 0.00 C ATOM 1500 O GLY A 96 -2.335 4.444 -9.597 1.00 0.00 O ATOM 0 H GLY A 96 -4.751 6.511 -7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.737 4.559 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.102 3.747 -8.008 1.00 0.00 H new ATOM 1504 N LYS A 97 -3.713 2.752 -9.848 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.856 2.148 -10.906 1.00 0.00 C ATOM 1506 C LYS A 97 -3.508 2.361 -12.274 1.00 0.00 C ATOM 1507 O LYS A 97 -4.719 2.506 -12.313 1.00 0.00 O ATOM 1508 CB LYS A 97 -2.699 0.647 -10.644 1.00 0.00 C ATOM 1509 CG LYS A 97 -1.658 0.070 -11.605 1.00 0.00 C ATOM 1510 CD LYS A 97 -2.371 -0.695 -12.719 1.00 0.00 C ATOM 1511 CE LYS A 97 -1.339 -1.252 -13.701 1.00 0.00 C ATOM 1512 NZ LYS A 97 -0.870 -0.158 -14.599 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.788 2.376 -13.257 1.00 0.00 O ATOM 0 H LYS A 97 -4.559 2.228 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.875 2.623 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.391 0.477 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.655 0.141 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.053 0.872 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.979 -0.593 -11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.961 -1.508 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.065 -0.036 -13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.496 -1.678 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.778 -2.058 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.246 -0.553 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.690 0.296 -15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.346 0.547 -14.042 1.00 0.00 H new TER 1527 LYS A 97