USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 36 SER OG : rot 140:sc= 0.745 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0.788 K(o=1.5,f=-3.8!) USER MOD Set 2.1: A 18 ASN : amide:sc= 0.858 K(o=1.8,f=-0.52) USER MOD Set 2.2: A 22 GLN : amide:sc= 0.972 K(o=1.8,f=-0.3) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0754 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1) USER MOD Single : A 6 THR OG1 : rot -58:sc= 0.203 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00862 X(o=-0.0086,f=-0.13) USER MOD Single : A 9 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -8:sc= 1.06 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= 0.555 (180deg=0.0412) USER MOD Single : A 25 SER OG : rot 74:sc= 1.23 USER MOD Single : A 29 SER OG : rot 61:sc= 1.2 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 100:sc= -0.341 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.29) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.414) USER MOD Single : A 84 SER OG : rot 155:sc= 1.24 USER MOD Single : A 85 GLN : amide:sc= -0.615 K(o=-0.62,f=-1.4) USER MOD Single : A 88 TYR OH : rot 81:sc= 0.354 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= -1.55 (180deg=-1.88!) USER MOD Single : A 93 ASN : amide:sc= -0.0599 K(o=-0.06,f=-3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.523 -17.736 5.827 1.00 0.00 N ATOM 2 CA ALA A 1 2.175 -18.303 4.625 1.00 0.00 C ATOM 3 C ALA A 1 3.588 -18.781 4.944 1.00 0.00 C ATOM 4 O ALA A 1 4.198 -18.337 5.918 1.00 0.00 O ATOM 5 CB ALA A 1 2.208 -17.276 3.503 1.00 0.00 C ATOM 0 H1 ALA A 1 0.764 -18.373 6.143 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.226 -17.631 6.586 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.120 -16.805 5.597 1.00 0.00 H new ATOM 0 HA ALA A 1 1.589 -19.162 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.691 -17.709 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.190 -16.983 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.767 -16.399 3.829 1.00 0.00 H new ATOM 13 N GLU A 2 4.099 -19.688 4.121 1.00 0.00 N ATOM 14 CA GLU A 2 5.438 -20.236 4.308 1.00 0.00 C ATOM 15 C GLU A 2 6.472 -19.428 3.520 1.00 0.00 C ATOM 16 O GLU A 2 7.637 -19.347 3.911 1.00 0.00 O ATOM 17 CB GLU A 2 5.473 -21.719 3.898 1.00 0.00 C ATOM 18 CG GLU A 2 5.389 -21.969 2.394 1.00 0.00 C ATOM 19 CD GLU A 2 4.094 -21.470 1.784 1.00 0.00 C ATOM 20 OE1 GLU A 2 3.045 -22.112 1.989 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.114 -20.414 1.123 1.00 0.00 O ATOM 0 H GLU A 2 3.603 -20.062 3.312 1.00 0.00 H new ATOM 0 HA GLU A 2 5.693 -20.166 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.394 -22.164 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.646 -22.236 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.229 -21.479 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.487 -23.038 2.202 1.00 0.00 H new ATOM 28 N PHE A 3 6.015 -18.820 2.423 1.00 0.00 N ATOM 29 CA PHE A 3 6.855 -17.986 1.559 1.00 0.00 C ATOM 30 C PHE A 3 7.933 -18.807 0.854 1.00 0.00 C ATOM 31 O PHE A 3 8.934 -18.254 0.399 1.00 0.00 O ATOM 32 CB PHE A 3 7.493 -16.840 2.352 1.00 0.00 C ATOM 33 CG PHE A 3 6.493 -15.912 2.978 1.00 0.00 C ATOM 34 CD1 PHE A 3 5.666 -15.127 2.190 1.00 0.00 C ATOM 35 CD2 PHE A 3 6.377 -15.829 4.356 1.00 0.00 C ATOM 36 CE1 PHE A 3 4.743 -14.277 2.765 1.00 0.00 C ATOM 37 CE2 PHE A 3 5.456 -14.979 4.937 1.00 0.00 C ATOM 38 CZ PHE A 3 4.639 -14.203 4.140 1.00 0.00 C ATOM 0 H PHE A 3 5.048 -18.892 2.107 1.00 0.00 H new ATOM 0 HA PHE A 3 6.205 -17.561 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.126 -17.259 3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 3 8.142 -16.268 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.745 -15.181 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.014 -16.436 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.103 -13.671 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.375 -14.922 6.012 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.918 -13.538 4.592 1.00 0.00 H new ATOM 48 N GLY A 4 7.683 -20.115 0.731 1.00 0.00 N ATOM 49 CA GLY A 4 8.591 -21.022 0.035 1.00 0.00 C ATOM 50 C GLY A 4 10.047 -20.795 0.386 1.00 0.00 C ATOM 51 O GLY A 4 10.461 -21.007 1.529 1.00 0.00 O ATOM 0 H GLY A 4 6.851 -20.568 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.322 -22.050 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.460 -20.902 -1.040 1.00 0.00 H new ATOM 55 N ASN A 5 10.793 -20.262 -0.571 1.00 0.00 N ATOM 56 CA ASN A 5 12.175 -19.881 -0.340 1.00 0.00 C ATOM 57 C ASN A 5 12.296 -18.364 -0.330 1.00 0.00 C ATOM 58 O ASN A 5 12.271 -17.718 -1.378 1.00 0.00 O ATOM 59 CB ASN A 5 13.100 -20.472 -1.408 1.00 0.00 C ATOM 60 CG ASN A 5 14.546 -20.056 -1.199 1.00 0.00 C ATOM 61 OD1 ASN A 5 15.069 -20.137 -0.084 1.00 0.00 O ATOM 62 ND2 ASN A 5 15.203 -19.610 -2.261 1.00 0.00 N ATOM 0 H ASN A 5 10.460 -20.084 -1.519 1.00 0.00 H new ATOM 0 HA ASN A 5 12.481 -20.278 0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.029 -21.559 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.768 -20.149 -2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 5 16.177 -19.319 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.735 -19.558 -3.166 1.00 0.00 H new ATOM 69 N THR A 6 12.401 -17.801 0.858 1.00 0.00 N ATOM 70 CA THR A 6 12.499 -16.359 1.017 1.00 0.00 C ATOM 71 C THR A 6 13.949 -15.941 1.224 1.00 0.00 C ATOM 72 O THR A 6 14.273 -14.751 1.263 1.00 0.00 O ATOM 73 CB THR A 6 11.641 -15.892 2.201 1.00 0.00 C ATOM 74 OG1 THR A 6 10.728 -16.940 2.568 1.00 0.00 O ATOM 75 CG2 THR A 6 10.862 -14.631 1.848 1.00 0.00 C ATOM 0 H THR A 6 12.421 -18.323 1.734 1.00 0.00 H new ATOM 0 HA THR A 6 12.128 -15.888 0.107 1.00 0.00 H new ATOM 0 HB THR A 6 12.299 -15.662 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.173 -17.176 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.263 -14.322 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.558 -13.834 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.207 -14.833 1.001 1.00 0.00 H new ATOM 83 N LYS A 7 14.830 -16.933 1.267 1.00 0.00 N ATOM 84 CA LYS A 7 16.259 -16.689 1.366 1.00 0.00 C ATOM 85 C LYS A 7 16.808 -16.319 -0.003 1.00 0.00 C ATOM 86 O LYS A 7 16.583 -17.047 -0.971 1.00 0.00 O ATOM 87 CB LYS A 7 16.981 -17.927 1.902 1.00 0.00 C ATOM 88 CG LYS A 7 16.984 -18.020 3.419 1.00 0.00 C ATOM 89 CD LYS A 7 18.130 -18.879 3.922 1.00 0.00 C ATOM 90 CE LYS A 7 17.627 -20.190 4.498 1.00 0.00 C ATOM 91 NZ LYS A 7 18.733 -21.000 5.066 1.00 0.00 N ATOM 0 H LYS A 7 14.575 -17.920 1.234 1.00 0.00 H new ATOM 0 HA LYS A 7 16.428 -15.865 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.507 -18.819 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.011 -17.920 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.063 -17.020 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.037 -18.438 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.822 -19.081 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.687 -18.335 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.889 -19.987 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.122 -20.760 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.351 -21.888 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.425 -21.215 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.199 -20.466 5.827 1.00 0.00 H new ATOM 105 N ASN A 8 17.424 -15.139 -0.086 1.00 0.00 N ATOM 106 CA ASN A 8 17.904 -14.580 -1.350 1.00 0.00 C ATOM 107 C ASN A 8 16.728 -14.059 -2.172 1.00 0.00 C ATOM 108 O ASN A 8 15.979 -14.819 -2.786 1.00 0.00 O ATOM 109 CB ASN A 8 18.732 -15.605 -2.142 1.00 0.00 C ATOM 110 CG ASN A 8 18.832 -15.292 -3.627 1.00 0.00 C ATOM 111 OD1 ASN A 8 19.147 -14.168 -4.028 1.00 0.00 O ATOM 112 ND2 ASN A 8 18.574 -16.293 -4.454 1.00 0.00 N ATOM 0 H ASN A 8 17.604 -14.543 0.722 1.00 0.00 H new ATOM 0 HA ASN A 8 18.566 -13.744 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 8 19.736 -15.651 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.288 -16.593 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.632 -16.150 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.317 -17.208 -4.083 1.00 0.00 H new ATOM 119 N ASN A 9 16.548 -12.749 -2.125 1.00 0.00 N ATOM 120 CA ASN A 9 15.446 -12.092 -2.809 1.00 0.00 C ATOM 121 C ASN A 9 15.942 -10.817 -3.476 1.00 0.00 C ATOM 122 O ASN A 9 15.174 -9.893 -3.743 1.00 0.00 O ATOM 123 CB ASN A 9 14.324 -11.765 -1.820 1.00 0.00 C ATOM 124 CG ASN A 9 12.943 -12.042 -2.387 1.00 0.00 C ATOM 125 OD1 ASN A 9 12.784 -12.319 -3.578 1.00 0.00 O ATOM 126 ND2 ASN A 9 11.930 -11.964 -1.536 1.00 0.00 N ATOM 0 H ASN A 9 17.159 -12.113 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 9 15.052 -12.765 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.464 -12.351 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.391 -10.715 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.978 -12.136 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.102 -11.732 -0.558 1.00 0.00 H new ATOM 133 N GLY A 10 17.247 -10.766 -3.719 1.00 0.00 N ATOM 134 CA GLY A 10 17.852 -9.597 -4.328 1.00 0.00 C ATOM 135 C GLY A 10 17.676 -9.574 -5.832 1.00 0.00 C ATOM 136 O GLY A 10 18.653 -9.530 -6.580 1.00 0.00 O ATOM 0 H GLY A 10 17.900 -11.519 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.410 -8.697 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.915 -9.575 -4.089 1.00 0.00 H new ATOM 140 N ALA A 11 16.429 -9.590 -6.275 1.00 0.00 N ATOM 141 CA ALA A 11 16.120 -9.554 -7.693 1.00 0.00 C ATOM 142 C ALA A 11 15.390 -8.267 -8.043 1.00 0.00 C ATOM 143 O ALA A 11 14.361 -7.950 -7.442 1.00 0.00 O ATOM 144 CB ALA A 11 15.290 -10.766 -8.087 1.00 0.00 C ATOM 0 H ALA A 11 15.611 -9.628 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 11 17.054 -9.582 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.067 -10.723 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.849 -11.676 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.358 -10.768 -7.521 1.00 0.00 H new ATOM 150 N SER A 12 15.942 -7.537 -9.008 1.00 0.00 N ATOM 151 CA SER A 12 15.387 -6.263 -9.473 1.00 0.00 C ATOM 152 C SER A 12 15.197 -5.266 -8.318 1.00 0.00 C ATOM 153 O SER A 12 16.137 -4.561 -7.942 1.00 0.00 O ATOM 154 CB SER A 12 14.069 -6.497 -10.223 1.00 0.00 C ATOM 155 OG SER A 12 14.042 -7.784 -10.819 1.00 0.00 O ATOM 0 H SER A 12 16.795 -7.813 -9.495 1.00 0.00 H new ATOM 0 HA SER A 12 16.105 -5.819 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.231 -6.395 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.944 -5.734 -10.992 1.00 0.00 H new ATOM 0 HG SER A 12 13.191 -7.909 -11.289 1.00 0.00 H new ATOM 161 N GLY A 13 13.990 -5.210 -7.762 1.00 0.00 N ATOM 162 CA GLY A 13 13.707 -4.303 -6.668 1.00 0.00 C ATOM 163 C GLY A 13 12.671 -4.868 -5.722 1.00 0.00 C ATOM 164 O GLY A 13 11.593 -4.292 -5.540 1.00 0.00 O ATOM 0 H GLY A 13 13.198 -5.783 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.626 -4.098 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.354 -3.352 -7.067 1.00 0.00 H new ATOM 168 N ALA A 14 12.982 -6.022 -5.143 1.00 0.00 N ATOM 169 CA ALA A 14 12.063 -6.700 -4.238 1.00 0.00 C ATOM 170 C ALA A 14 11.932 -5.952 -2.915 1.00 0.00 C ATOM 171 O ALA A 14 11.015 -6.209 -2.144 1.00 0.00 O ATOM 172 CB ALA A 14 12.521 -8.126 -3.989 1.00 0.00 C ATOM 0 H ALA A 14 13.867 -6.509 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 14 11.082 -6.719 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.824 -8.619 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.553 -8.668 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.515 -8.116 -3.543 1.00 0.00 H new ATOM 178 N ASP A 15 12.803 -4.975 -2.693 1.00 0.00 N ATOM 179 CA ASP A 15 12.726 -4.136 -1.503 1.00 0.00 C ATOM 180 C ASP A 15 11.586 -3.131 -1.642 1.00 0.00 C ATOM 181 O ASP A 15 10.796 -2.937 -0.718 1.00 0.00 O ATOM 182 CB ASP A 15 14.057 -3.407 -1.256 1.00 0.00 C ATOM 183 CG ASP A 15 14.479 -2.522 -2.416 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.366 -2.967 -3.580 1.00 0.00 O ATOM 185 OD2 ASP A 15 14.932 -1.385 -2.167 1.00 0.00 O ATOM 0 H ASP A 15 13.572 -4.744 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 15 12.529 -4.777 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.969 -2.798 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.838 -4.144 -1.067 1.00 0.00 H new ATOM 190 N ILE A 16 11.449 -2.567 -2.837 1.00 0.00 N ATOM 191 CA ILE A 16 10.344 -1.664 -3.139 1.00 0.00 C ATOM 192 C ILE A 16 9.041 -2.448 -3.240 1.00 0.00 C ATOM 193 O ILE A 16 7.996 -2.013 -2.752 1.00 0.00 O ATOM 194 CB ILE A 16 10.576 -0.899 -4.462 1.00 0.00 C ATOM 195 CG1 ILE A 16 12.035 -0.447 -4.569 1.00 0.00 C ATOM 196 CG2 ILE A 16 9.636 0.295 -4.561 1.00 0.00 C ATOM 197 CD1 ILE A 16 12.655 -0.725 -5.918 1.00 0.00 C ATOM 0 H ILE A 16 12.091 -2.720 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 16 10.284 -0.939 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 16 10.362 -1.572 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.092 0.622 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.620 -0.949 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.814 0.821 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.603 -0.052 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.817 0.971 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.689 -0.379 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.631 -1.797 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.094 -0.200 -6.691 1.00 0.00 H new ATOM 209 N ASN A 17 9.127 -3.629 -3.845 1.00 0.00 N ATOM 210 CA ASN A 17 7.976 -4.511 -3.987 1.00 0.00 C ATOM 211 C ASN A 17 7.511 -5.016 -2.621 1.00 0.00 C ATOM 212 O ASN A 17 6.317 -5.215 -2.393 1.00 0.00 O ATOM 213 CB ASN A 17 8.322 -5.686 -4.914 1.00 0.00 C ATOM 214 CG ASN A 17 7.491 -6.925 -4.638 1.00 0.00 C ATOM 215 OD1 ASN A 17 7.947 -7.854 -3.975 1.00 0.00 O ATOM 216 ND2 ASN A 17 6.265 -6.948 -5.138 1.00 0.00 N ATOM 0 H ASN A 17 9.989 -3.998 -4.247 1.00 0.00 H new ATOM 0 HA ASN A 17 7.157 -3.947 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.174 -5.380 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.378 -5.931 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.664 -7.756 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.922 -6.157 -5.683 1.00 0.00 H new ATOM 223 N ASN A 18 8.457 -5.179 -1.702 1.00 0.00 N ATOM 224 CA ASN A 18 8.142 -5.610 -0.344 1.00 0.00 C ATOM 225 C ASN A 18 7.248 -4.587 0.340 1.00 0.00 C ATOM 226 O ASN A 18 6.252 -4.943 0.962 1.00 0.00 O ATOM 227 CB ASN A 18 9.425 -5.817 0.468 1.00 0.00 C ATOM 228 CG ASN A 18 9.169 -6.395 1.849 1.00 0.00 C ATOM 229 OD1 ASN A 18 8.895 -5.662 2.799 1.00 0.00 O ATOM 230 ND2 ASN A 18 9.273 -7.713 1.972 1.00 0.00 N ATOM 0 H ASN A 18 9.450 -5.019 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 18 7.611 -6.560 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.091 -6.483 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.941 -4.862 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.124 -8.154 2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.502 -8.285 1.159 1.00 0.00 H new ATOM 237 N TYR A 19 7.581 -3.313 0.175 1.00 0.00 N ATOM 238 CA TYR A 19 6.776 -2.237 0.739 1.00 0.00 C ATOM 239 C TYR A 19 5.375 -2.238 0.139 1.00 0.00 C ATOM 240 O TYR A 19 4.383 -2.181 0.865 1.00 0.00 O ATOM 241 CB TYR A 19 7.444 -0.883 0.490 1.00 0.00 C ATOM 242 CG TYR A 19 6.956 0.214 1.406 1.00 0.00 C ATOM 243 CD1 TYR A 19 7.055 0.089 2.785 1.00 0.00 C ATOM 244 CD2 TYR A 19 6.395 1.375 0.891 1.00 0.00 C ATOM 245 CE1 TYR A 19 6.610 1.090 3.623 1.00 0.00 C ATOM 246 CE2 TYR A 19 5.946 2.383 1.725 1.00 0.00 C ATOM 247 CZ TYR A 19 6.055 2.235 3.090 1.00 0.00 C ATOM 248 OH TYR A 19 5.611 3.234 3.927 1.00 0.00 O ATOM 0 H TYR A 19 8.401 -3.000 -0.344 1.00 0.00 H new ATOM 0 HA TYR A 19 6.697 -2.403 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.522 -0.992 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.268 -0.586 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.487 -0.806 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.308 1.493 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.696 0.978 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.513 3.280 1.309 1.00 0.00 H new ATOM 0 HH TYR A 19 5.643 2.921 4.855 1.00 0.00 H new ATOM 258 N ALA A 20 5.304 -2.318 -1.187 1.00 0.00 N ATOM 259 CA ALA A 20 4.029 -2.336 -1.896 1.00 0.00 C ATOM 260 C ALA A 20 3.151 -3.493 -1.428 1.00 0.00 C ATOM 261 O ALA A 20 1.960 -3.319 -1.155 1.00 0.00 O ATOM 262 CB ALA A 20 4.269 -2.431 -3.395 1.00 0.00 C ATOM 0 H ALA A 20 6.121 -2.372 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 20 3.504 -1.407 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.312 -2.444 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.851 -1.571 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.816 -3.347 -3.619 1.00 0.00 H new ATOM 268 N GLY A 21 3.755 -4.669 -1.316 1.00 0.00 N ATOM 269 CA GLY A 21 3.035 -5.843 -0.860 1.00 0.00 C ATOM 270 C GLY A 21 2.595 -5.728 0.586 1.00 0.00 C ATOM 271 O GLY A 21 1.536 -6.236 0.965 1.00 0.00 O ATOM 0 H GLY A 21 4.738 -4.832 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.160 -5.997 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.669 -6.722 -0.975 1.00 0.00 H new ATOM 275 N GLN A 22 3.429 -5.098 1.400 1.00 0.00 N ATOM 276 CA GLN A 22 3.155 -4.958 2.824 1.00 0.00 C ATOM 277 C GLN A 22 1.952 -4.060 3.074 1.00 0.00 C ATOM 278 O GLN A 22 1.133 -4.352 3.940 1.00 0.00 O ATOM 279 CB GLN A 22 4.384 -4.421 3.555 1.00 0.00 C ATOM 280 CG GLN A 22 5.373 -5.508 3.926 1.00 0.00 C ATOM 281 CD GLN A 22 6.135 -5.184 5.190 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.574 -5.188 6.284 1.00 0.00 O ATOM 283 NE2 GLN A 22 7.419 -4.901 5.048 1.00 0.00 N ATOM 0 H GLN A 22 4.306 -4.673 1.097 1.00 0.00 H new ATOM 0 HA GLN A 22 2.918 -5.947 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.882 -3.684 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.065 -3.903 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.841 -6.451 4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.077 -5.650 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.844 -4.910 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.985 -4.674 5.866 1.00 0.00 H new ATOM 292 N ILE A 23 1.822 -2.991 2.294 1.00 0.00 N ATOM 293 CA ILE A 23 0.676 -2.094 2.433 1.00 0.00 C ATOM 294 C ILE A 23 -0.623 -2.834 2.113 1.00 0.00 C ATOM 295 O ILE A 23 -1.609 -2.723 2.842 1.00 0.00 O ATOM 296 CB ILE A 23 0.782 -0.846 1.526 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.162 -0.204 1.645 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.303 0.164 1.884 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.518 0.687 0.471 1.00 0.00 C ATOM 0 H ILE A 23 2.486 -2.725 1.567 1.00 0.00 H new ATOM 0 HA ILE A 23 0.673 -1.756 3.469 1.00 0.00 H new ATOM 0 HB ILE A 23 0.640 -1.163 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.203 0.384 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.913 -0.989 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.215 1.037 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.284 -0.292 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.187 0.470 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.511 1.109 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.510 0.100 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.789 1.494 0.392 1.00 0.00 H new ATOM 311 N LYS A 24 -0.596 -3.632 1.049 1.00 0.00 N ATOM 312 CA LYS A 24 -1.752 -4.436 0.663 1.00 0.00 C ATOM 313 C LYS A 24 -2.094 -5.450 1.754 1.00 0.00 C ATOM 314 O LYS A 24 -3.264 -5.674 2.068 1.00 0.00 O ATOM 315 CB LYS A 24 -1.477 -5.164 -0.655 1.00 0.00 C ATOM 316 CG LYS A 24 -1.448 -4.246 -1.868 1.00 0.00 C ATOM 317 CD LYS A 24 -1.231 -5.027 -3.151 1.00 0.00 C ATOM 318 CE LYS A 24 -1.150 -4.105 -4.356 1.00 0.00 C ATOM 319 NZ LYS A 24 -1.461 -4.817 -5.622 1.00 0.00 N ATOM 0 H LYS A 24 0.214 -3.739 0.439 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.602 -3.767 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.521 -5.683 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.242 -5.926 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.386 -3.694 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.653 -3.510 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.312 -5.608 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.047 -5.737 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.846 -3.276 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.150 -3.675 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.008 -4.191 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.575 -5.089 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.018 -5.670 -5.413 1.00 0.00 H new ATOM 333 N SER A 25 -1.062 -6.043 2.343 1.00 0.00 N ATOM 334 CA SER A 25 -1.244 -7.013 3.417 1.00 0.00 C ATOM 335 C SER A 25 -1.737 -6.329 4.693 1.00 0.00 C ATOM 336 O SER A 25 -2.535 -6.893 5.439 1.00 0.00 O ATOM 337 CB SER A 25 0.067 -7.756 3.682 1.00 0.00 C ATOM 338 OG SER A 25 0.610 -8.287 2.480 1.00 0.00 O ATOM 0 H SER A 25 -0.088 -5.869 2.094 1.00 0.00 H new ATOM 0 HA SER A 25 -2.001 -7.733 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.786 -7.077 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.107 -8.563 4.393 1.00 0.00 H new ATOM 0 HG SER A 25 0.990 -7.560 1.944 1.00 0.00 H new ATOM 344 N ALA A 26 -1.283 -5.098 4.919 1.00 0.00 N ATOM 345 CA ALA A 26 -1.699 -4.320 6.079 1.00 0.00 C ATOM 346 C ALA A 26 -3.204 -4.082 6.058 1.00 0.00 C ATOM 347 O ALA A 26 -3.874 -4.168 7.087 1.00 0.00 O ATOM 348 CB ALA A 26 -0.964 -2.989 6.114 1.00 0.00 C ATOM 0 H ALA A 26 -0.623 -4.617 4.308 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.449 -4.887 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.285 -2.419 6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.110 -3.168 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.189 -2.425 5.209 1.00 0.00 H new ATOM 354 N ILE A 27 -3.727 -3.800 4.873 1.00 0.00 N ATOM 355 CA ILE A 27 -5.152 -3.567 4.699 1.00 0.00 C ATOM 356 C ILE A 27 -5.945 -4.845 4.976 1.00 0.00 C ATOM 357 O ILE A 27 -6.999 -4.817 5.614 1.00 0.00 O ATOM 358 CB ILE A 27 -5.448 -3.052 3.275 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.709 -1.728 3.046 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.947 -2.886 3.055 1.00 0.00 C ATOM 361 CD1 ILE A 27 -5.025 -1.065 1.720 1.00 0.00 C ATOM 0 H ILE A 27 -3.182 -3.727 4.014 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.462 -2.805 5.415 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.092 -3.786 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.960 -1.040 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.636 -1.909 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.128 -2.522 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.443 -3.847 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.343 -2.170 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.463 -0.135 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.747 -1.732 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.092 -0.850 1.666 1.00 0.00 H new ATOM 373 N GLU A 28 -5.388 -5.974 4.559 1.00 0.00 N ATOM 374 CA GLU A 28 -5.997 -7.272 4.822 1.00 0.00 C ATOM 375 C GLU A 28 -5.843 -7.659 6.294 1.00 0.00 C ATOM 376 O GLU A 28 -6.619 -8.457 6.823 1.00 0.00 O ATOM 377 CB GLU A 28 -5.377 -8.337 3.922 1.00 0.00 C ATOM 378 CG GLU A 28 -6.176 -9.627 3.875 1.00 0.00 C ATOM 379 CD GLU A 28 -5.371 -10.808 4.378 1.00 0.00 C ATOM 380 OE1 GLU A 28 -4.136 -10.817 4.184 1.00 0.00 O ATOM 381 OE2 GLU A 28 -5.964 -11.731 4.971 1.00 0.00 O ATOM 0 H GLU A 28 -4.513 -6.018 4.036 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.062 -7.202 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.284 -7.939 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.368 -8.556 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.077 -9.518 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.499 -9.817 2.851 1.00 0.00 H new ATOM 388 N SER A 29 -4.877 -7.046 6.968 1.00 0.00 N ATOM 389 CA SER A 29 -4.666 -7.278 8.393 1.00 0.00 C ATOM 390 C SER A 29 -5.747 -6.581 9.220 1.00 0.00 C ATOM 391 O SER A 29 -5.866 -6.797 10.427 1.00 0.00 O ATOM 392 CB SER A 29 -3.279 -6.783 8.812 1.00 0.00 C ATOM 393 OG SER A 29 -2.256 -7.449 8.089 1.00 0.00 O ATOM 0 H SER A 29 -4.225 -6.382 6.549 1.00 0.00 H new ATOM 0 HA SER A 29 -4.728 -8.350 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.207 -5.709 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.139 -6.947 9.880 1.00 0.00 H new ATOM 0 HG SER A 29 -2.361 -7.268 7.132 1.00 0.00 H new ATOM 399 N LYS A 30 -6.561 -5.778 8.552 1.00 0.00 N ATOM 400 CA LYS A 30 -7.664 -5.094 9.208 1.00 0.00 C ATOM 401 C LYS A 30 -8.993 -5.612 8.671 1.00 0.00 C ATOM 402 O LYS A 30 -9.989 -5.662 9.391 1.00 0.00 O ATOM 403 CB LYS A 30 -7.548 -3.587 9.001 1.00 0.00 C ATOM 404 CG LYS A 30 -6.283 -2.997 9.598 1.00 0.00 C ATOM 405 CD LYS A 30 -6.368 -2.915 11.112 1.00 0.00 C ATOM 406 CE LYS A 30 -5.237 -3.668 11.785 1.00 0.00 C ATOM 407 NZ LYS A 30 -5.707 -4.928 12.420 1.00 0.00 N ATOM 0 H LYS A 30 -6.478 -5.584 7.554 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.621 -5.296 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.573 -3.370 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.414 -3.098 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.426 -3.607 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.116 -2.001 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.342 -1.870 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.323 -3.322 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.466 -3.898 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.776 -3.031 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.936 -5.342 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.516 -4.723 13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.998 -5.601 11.682 1.00 0.00 H new ATOM 421 N PHE A 31 -8.966 -6.088 7.433 1.00 0.00 N ATOM 422 CA PHE A 31 -10.124 -6.719 6.821 1.00 0.00 C ATOM 423 C PHE A 31 -9.752 -8.125 6.363 1.00 0.00 C ATOM 424 O PHE A 31 -9.307 -8.306 5.230 1.00 0.00 O ATOM 425 CB PHE A 31 -10.624 -5.901 5.623 1.00 0.00 C ATOM 426 CG PHE A 31 -11.682 -4.882 5.965 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.660 -4.203 7.175 1.00 0.00 C ATOM 428 CD2 PHE A 31 -12.701 -4.603 5.067 1.00 0.00 C ATOM 429 CE1 PHE A 31 -12.631 -3.269 7.480 1.00 0.00 C ATOM 430 CE2 PHE A 31 -13.673 -3.670 5.368 1.00 0.00 C ATOM 431 CZ PHE A 31 -13.639 -3.003 6.575 1.00 0.00 C ATOM 0 H PHE A 31 -8.145 -6.047 6.829 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.924 -6.769 7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.776 -5.388 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.023 -6.584 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.874 -4.407 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.735 -5.122 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.602 -2.748 8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.460 -3.462 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 -14.400 -2.274 6.812 1.00 0.00 H new ATOM 441 N TYR A 32 -9.851 -9.083 7.288 1.00 0.00 N ATOM 442 CA TYR A 32 -9.442 -10.482 7.063 1.00 0.00 C ATOM 443 C TYR A 32 -9.977 -11.047 5.744 1.00 0.00 C ATOM 444 O TYR A 32 -11.104 -11.551 5.690 1.00 0.00 O ATOM 445 CB TYR A 32 -9.943 -11.347 8.217 1.00 0.00 C ATOM 446 CG TYR A 32 -8.929 -12.340 8.734 1.00 0.00 C ATOM 447 CD1 TYR A 32 -7.605 -11.973 8.939 1.00 0.00 C ATOM 448 CD2 TYR A 32 -9.303 -13.644 9.029 1.00 0.00 C ATOM 449 CE1 TYR A 32 -6.682 -12.884 9.420 1.00 0.00 C ATOM 450 CE2 TYR A 32 -8.389 -14.556 9.511 1.00 0.00 C ATOM 451 CZ TYR A 32 -7.082 -14.172 9.706 1.00 0.00 C ATOM 452 OH TYR A 32 -6.173 -15.081 10.195 1.00 0.00 O ATOM 0 H TYR A 32 -10.220 -8.914 8.224 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.353 -10.497 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.249 -10.697 9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.831 -11.888 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.292 -10.963 8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.328 -13.949 8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.654 -12.588 9.571 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.697 -15.567 9.735 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.618 -15.941 10.344 1.00 0.00 H new ATOM 462 N ASP A 33 -9.178 -10.889 4.681 1.00 0.00 N ATOM 463 CA ASP A 33 -9.539 -11.295 3.310 1.00 0.00 C ATOM 464 C ASP A 33 -10.876 -10.699 2.890 1.00 0.00 C ATOM 465 O ASP A 33 -11.535 -11.167 1.962 1.00 0.00 O ATOM 466 CB ASP A 33 -9.557 -12.822 3.168 1.00 0.00 C ATOM 467 CG ASP A 33 -8.729 -13.321 1.994 1.00 0.00 C ATOM 468 OD1 ASP A 33 -7.505 -13.070 1.969 1.00 0.00 O ATOM 469 OD2 ASP A 33 -9.291 -13.977 1.093 1.00 0.00 O ATOM 0 H ASP A 33 -8.250 -10.471 4.746 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.772 -10.904 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.181 -13.271 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.587 -13.158 3.047 1.00 0.00 H new ATOM 474 N ALA A 34 -11.270 -9.685 3.625 1.00 0.00 N ATOM 475 CA ALA A 34 -12.537 -9.000 3.430 1.00 0.00 C ATOM 476 C ALA A 34 -12.453 -7.982 2.302 1.00 0.00 C ATOM 477 O ALA A 34 -13.240 -8.016 1.353 1.00 0.00 O ATOM 478 CB ALA A 34 -12.954 -8.335 4.725 1.00 0.00 C ATOM 0 H ALA A 34 -10.713 -9.303 4.389 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.289 -9.735 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.904 -7.821 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.065 -9.091 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.193 -7.614 5.025 1.00 0.00 H new ATOM 484 N SER A 35 -11.504 -7.060 2.428 1.00 0.00 N ATOM 485 CA SER A 35 -11.315 -6.011 1.439 1.00 0.00 C ATOM 486 C SER A 35 -10.766 -6.606 0.150 1.00 0.00 C ATOM 487 O SER A 35 -11.022 -6.112 -0.948 1.00 0.00 O ATOM 488 CB SER A 35 -10.352 -4.958 1.986 1.00 0.00 C ATOM 489 OG SER A 35 -9.396 -5.551 2.850 1.00 0.00 O ATOM 0 H SER A 35 -10.852 -7.021 3.211 1.00 0.00 H new ATOM 0 HA SER A 35 -12.274 -5.539 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.843 -4.460 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.911 -4.193 2.525 1.00 0.00 H new ATOM 0 HG SER A 35 -8.555 -5.684 2.365 1.00 0.00 H new ATOM 495 N SER A 36 -10.053 -7.707 0.305 1.00 0.00 N ATOM 496 CA SER A 36 -9.497 -8.435 -0.813 1.00 0.00 C ATOM 497 C SER A 36 -10.560 -9.322 -1.458 1.00 0.00 C ATOM 498 O SER A 36 -10.662 -10.510 -1.154 1.00 0.00 O ATOM 499 CB SER A 36 -8.314 -9.270 -0.330 1.00 0.00 C ATOM 500 OG SER A 36 -7.138 -8.480 -0.243 1.00 0.00 O ATOM 0 H SER A 36 -9.845 -8.120 1.214 1.00 0.00 H new ATOM 0 HA SER A 36 -9.151 -7.729 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.541 -9.700 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.148 -10.102 -1.014 1.00 0.00 H new ATOM 0 HG SER A 36 -6.638 -8.725 0.563 1.00 0.00 H new ATOM 506 N TYR A 37 -11.364 -8.722 -2.327 1.00 0.00 N ATOM 507 CA TYR A 37 -12.439 -9.435 -3.004 1.00 0.00 C ATOM 508 C TYR A 37 -11.893 -10.205 -4.206 1.00 0.00 C ATOM 509 O TYR A 37 -11.035 -11.072 -4.047 1.00 0.00 O ATOM 510 CB TYR A 37 -13.530 -8.452 -3.440 1.00 0.00 C ATOM 511 CG TYR A 37 -14.835 -8.609 -2.689 1.00 0.00 C ATOM 512 CD1 TYR A 37 -14.932 -9.449 -1.587 1.00 0.00 C ATOM 513 CD2 TYR A 37 -15.971 -7.909 -3.081 1.00 0.00 C ATOM 514 CE1 TYR A 37 -16.122 -9.589 -0.899 1.00 0.00 C ATOM 515 CE2 TYR A 37 -17.165 -8.042 -2.396 1.00 0.00 C ATOM 516 CZ TYR A 37 -17.236 -8.884 -1.307 1.00 0.00 C ATOM 517 OH TYR A 37 -18.423 -9.024 -0.620 1.00 0.00 O ATOM 0 H TYR A 37 -11.290 -7.737 -2.580 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.877 -10.153 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.164 -7.434 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.718 -8.583 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.063 -10.002 -1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.920 -7.250 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.180 -10.248 -0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.037 -7.489 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.109 -8.459 -1.034 1.00 0.00 H new ATOM 527 N ALA A 38 -12.355 -9.859 -5.409 1.00 0.00 N ATOM 528 CA ALA A 38 -11.870 -10.490 -6.632 1.00 0.00 C ATOM 529 C ALA A 38 -12.425 -9.791 -7.862 1.00 0.00 C ATOM 530 O ALA A 38 -13.567 -9.323 -7.855 1.00 0.00 O ATOM 531 CB ALA A 38 -12.247 -11.963 -6.663 1.00 0.00 C ATOM 0 H ALA A 38 -13.066 -9.143 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.784 -10.402 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.876 -12.414 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.804 -12.470 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.332 -12.062 -6.622 1.00 0.00 H new ATOM 537 N GLY A 39 -11.637 -9.766 -8.930 1.00 0.00 N ATOM 538 CA GLY A 39 -12.079 -9.180 -10.180 1.00 0.00 C ATOM 539 C GLY A 39 -11.928 -7.674 -10.217 1.00 0.00 C ATOM 540 O GLY A 39 -11.408 -7.120 -11.184 1.00 0.00 O ATOM 0 H GLY A 39 -10.690 -10.145 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.509 -9.616 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.125 -9.438 -10.346 1.00 0.00 H new ATOM 544 N LYS A 40 -12.467 -7.010 -9.209 1.00 0.00 N ATOM 545 CA LYS A 40 -12.483 -5.554 -9.170 1.00 0.00 C ATOM 546 C LYS A 40 -11.143 -4.991 -8.708 1.00 0.00 C ATOM 547 O LYS A 40 -10.446 -5.606 -7.901 1.00 0.00 O ATOM 548 CB LYS A 40 -13.598 -5.071 -8.241 1.00 0.00 C ATOM 549 CG LYS A 40 -14.942 -4.907 -8.932 1.00 0.00 C ATOM 550 CD LYS A 40 -15.674 -6.232 -9.048 1.00 0.00 C ATOM 551 CE LYS A 40 -17.174 -6.032 -9.194 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.579 -5.850 -10.614 1.00 0.00 N ATOM 0 H LYS A 40 -12.902 -7.457 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.667 -5.194 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.706 -5.779 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.306 -4.117 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.555 -4.199 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.792 -4.485 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.295 -6.784 -9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.471 -6.839 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.696 -6.893 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.481 -5.161 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.609 -5.717 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.101 -5.014 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.310 -6.692 -11.162 1.00 0.00 H new ATOM 566 N THR A 41 -10.833 -3.785 -9.169 1.00 0.00 N ATOM 567 CA THR A 41 -9.626 -3.079 -8.755 1.00 0.00 C ATOM 568 C THR A 41 -9.967 -1.639 -8.363 1.00 0.00 C ATOM 569 O THR A 41 -10.969 -1.086 -8.825 1.00 0.00 O ATOM 570 CB THR A 41 -8.567 -3.058 -9.878 1.00 0.00 C ATOM 571 OG1 THR A 41 -8.650 -4.257 -10.661 1.00 0.00 O ATOM 572 CG2 THR A 41 -7.163 -2.923 -9.303 1.00 0.00 C ATOM 0 H THR A 41 -11.408 -3.271 -9.837 1.00 0.00 H new ATOM 0 HA THR A 41 -9.213 -3.612 -7.899 1.00 0.00 H new ATOM 0 HB THR A 41 -8.769 -2.195 -10.512 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.975 -4.231 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.437 -2.911 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.089 -1.995 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.957 -3.767 -8.645 1.00 0.00 H new ATOM 580 N CYS A 42 -9.163 -1.055 -7.484 1.00 0.00 N ATOM 581 CA CYS A 42 -9.405 0.296 -7.001 1.00 0.00 C ATOM 582 C CYS A 42 -8.102 1.083 -6.906 1.00 0.00 C ATOM 583 O CYS A 42 -7.223 0.752 -6.118 1.00 0.00 O ATOM 584 CB CYS A 42 -10.083 0.248 -5.630 1.00 0.00 C ATOM 585 SG CYS A 42 -11.798 0.847 -5.638 1.00 0.00 S ATOM 0 H CYS A 42 -8.334 -1.499 -7.090 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.060 0.800 -7.712 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.068 -0.779 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.503 0.846 -4.927 1.00 0.00 H new ATOM 590 N THR A 43 -7.998 2.149 -7.676 1.00 0.00 N ATOM 591 CA THR A 43 -6.826 3.002 -7.630 1.00 0.00 C ATOM 592 C THR A 43 -6.959 4.030 -6.514 1.00 0.00 C ATOM 593 O THR A 43 -7.716 4.997 -6.633 1.00 0.00 O ATOM 594 CB THR A 43 -6.617 3.720 -8.969 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.871 2.808 -10.047 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.202 4.269 -9.076 1.00 0.00 C ATOM 0 H THR A 43 -8.712 2.445 -8.342 1.00 0.00 H new ATOM 0 HA THR A 43 -5.960 2.369 -7.434 1.00 0.00 H new ATOM 0 HB THR A 43 -7.312 4.558 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.739 3.268 -10.902 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.079 4.774 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.025 4.978 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.487 3.449 -9.003 1.00 0.00 H new ATOM 604 N LEU A 44 -6.237 3.810 -5.427 1.00 0.00 N ATOM 605 CA LEU A 44 -6.286 4.714 -4.290 1.00 0.00 C ATOM 606 C LEU A 44 -5.179 5.748 -4.393 1.00 0.00 C ATOM 607 O LEU A 44 -4.000 5.415 -4.259 1.00 0.00 O ATOM 608 CB LEU A 44 -6.149 3.943 -2.976 1.00 0.00 C ATOM 609 CG LEU A 44 -7.186 2.842 -2.747 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.868 2.079 -1.472 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.589 3.431 -2.678 1.00 0.00 C ATOM 0 H LEU A 44 -5.611 3.014 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.252 5.218 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.156 3.496 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.210 4.652 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.147 2.150 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.613 1.298 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.880 1.626 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.883 2.764 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.312 2.631 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.644 4.144 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.816 3.940 -3.615 1.00 0.00 H new ATOM 623 N ARG A 45 -5.562 7.004 -4.569 1.00 0.00 N ATOM 624 CA ARG A 45 -4.605 8.096 -4.615 1.00 0.00 C ATOM 625 C ARG A 45 -4.100 8.384 -3.212 1.00 0.00 C ATOM 626 O ARG A 45 -4.790 9.012 -2.411 1.00 0.00 O ATOM 627 CB ARG A 45 -5.246 9.349 -5.214 1.00 0.00 C ATOM 628 CG ARG A 45 -4.253 10.278 -5.894 1.00 0.00 C ATOM 629 CD ARG A 45 -4.793 11.697 -5.986 1.00 0.00 C ATOM 630 NE ARG A 45 -5.668 11.871 -7.142 1.00 0.00 N ATOM 631 CZ ARG A 45 -6.454 12.928 -7.338 1.00 0.00 C ATOM 632 NH1 ARG A 45 -6.480 13.920 -6.461 1.00 0.00 N ATOM 633 NH2 ARG A 45 -7.223 12.980 -8.419 1.00 0.00 N ATOM 0 H ARG A 45 -6.534 7.292 -4.683 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.767 7.807 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.003 9.048 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.760 9.897 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.315 10.279 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.031 9.906 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.342 11.937 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.961 12.399 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.678 11.134 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.895 13.879 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.085 14.725 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.209 12.214 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.828 13.786 -8.576 1.00 0.00 H new ATOM 647 N ILE A 46 -2.955 7.808 -2.886 1.00 0.00 N ATOM 648 CA ILE A 46 -2.424 7.890 -1.541 1.00 0.00 C ATOM 649 C ILE A 46 -1.084 8.615 -1.516 1.00 0.00 C ATOM 650 O ILE A 46 -0.068 8.095 -1.975 1.00 0.00 O ATOM 651 CB ILE A 46 -2.259 6.489 -0.908 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.674 5.495 -1.919 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.597 5.987 -0.385 1.00 0.00 C ATOM 654 CD1 ILE A 46 -0.833 4.411 -1.281 1.00 0.00 C ATOM 0 H ILE A 46 -2.376 7.278 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.146 8.458 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.563 6.572 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.489 5.032 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.065 6.039 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.467 5.000 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.975 6.677 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.309 5.924 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.452 3.744 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.003 4.865 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.444 3.842 -0.580 1.00 0.00 H new ATOM 666 N LYS A 47 -1.074 9.775 -0.885 1.00 0.00 N ATOM 667 CA LYS A 47 0.152 10.519 -0.680 1.00 0.00 C ATOM 668 C LYS A 47 0.665 10.233 0.726 1.00 0.00 C ATOM 669 O LYS A 47 -0.009 10.548 1.713 1.00 0.00 O ATOM 670 CB LYS A 47 -0.088 12.019 -0.866 1.00 0.00 C ATOM 671 CG LYS A 47 1.143 12.876 -0.612 1.00 0.00 C ATOM 672 CD LYS A 47 1.033 14.226 -1.297 1.00 0.00 C ATOM 673 CE LYS A 47 2.167 14.445 -2.283 1.00 0.00 C ATOM 674 NZ LYS A 47 2.845 15.754 -2.076 1.00 0.00 N ATOM 0 H LYS A 47 -1.907 10.223 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 47 0.895 10.208 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.440 12.198 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.885 12.336 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.272 13.021 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.030 12.356 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.078 14.294 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.044 15.017 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.895 13.640 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.777 14.396 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.612 15.861 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.157 16.524 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.240 15.792 -1.115 1.00 0.00 H new ATOM 688 N LEU A 48 1.787 9.536 0.819 1.00 0.00 N ATOM 689 CA LEU A 48 2.299 9.101 2.109 1.00 0.00 C ATOM 690 C LEU A 48 3.321 10.091 2.649 1.00 0.00 C ATOM 691 O LEU A 48 4.336 10.366 2.010 1.00 0.00 O ATOM 692 CB LEU A 48 2.931 7.714 1.989 1.00 0.00 C ATOM 693 CG LEU A 48 2.051 6.545 2.432 1.00 0.00 C ATOM 694 CD1 LEU A 48 2.504 5.258 1.759 1.00 0.00 C ATOM 695 CD2 LEU A 48 2.081 6.391 3.943 1.00 0.00 C ATOM 0 H LEU A 48 2.358 9.260 0.020 1.00 0.00 H new ATOM 0 HA LEU A 48 1.462 9.053 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.219 7.555 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.847 7.700 2.580 1.00 0.00 H new ATOM 0 HG LEU A 48 1.025 6.755 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.868 4.434 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.431 5.368 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.538 5.048 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.448 5.553 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.104 6.204 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.712 7.305 4.409 1.00 0.00 H new ATOM 707 N ALA A 49 3.076 10.571 3.856 1.00 0.00 N ATOM 708 CA ALA A 49 4.001 11.467 4.527 1.00 0.00 C ATOM 709 C ALA A 49 5.257 10.705 4.944 1.00 0.00 C ATOM 710 O ALA A 49 5.214 9.486 5.109 1.00 0.00 O ATOM 711 CB ALA A 49 3.324 12.102 5.735 1.00 0.00 C ATOM 0 H ALA A 49 2.238 10.353 4.394 1.00 0.00 H new ATOM 0 HA ALA A 49 4.295 12.261 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.024 12.773 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.451 12.666 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.012 11.322 6.429 1.00 0.00 H new ATOM 717 N PRO A 50 6.405 11.396 5.056 1.00 0.00 N ATOM 718 CA PRO A 50 7.695 10.767 5.380 1.00 0.00 C ATOM 719 C PRO A 50 7.686 10.006 6.710 1.00 0.00 C ATOM 720 O PRO A 50 8.529 9.138 6.941 1.00 0.00 O ATOM 721 CB PRO A 50 8.675 11.949 5.457 1.00 0.00 C ATOM 722 CG PRO A 50 7.823 13.170 5.538 1.00 0.00 C ATOM 723 CD PRO A 50 6.558 12.838 4.804 1.00 0.00 C ATOM 0 HA PRO A 50 7.957 10.018 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.323 11.865 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.322 11.980 4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.615 13.433 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.324 14.026 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.709 13.407 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.639 13.056 3.739 1.00 0.00 H new ATOM 731 N ASP A 51 6.736 10.323 7.579 1.00 0.00 N ATOM 732 CA ASP A 51 6.636 9.655 8.876 1.00 0.00 C ATOM 733 C ASP A 51 5.872 8.338 8.758 1.00 0.00 C ATOM 734 O ASP A 51 5.801 7.566 9.712 1.00 0.00 O ATOM 735 CB ASP A 51 5.958 10.561 9.908 1.00 0.00 C ATOM 736 CG ASP A 51 4.452 10.573 9.776 1.00 0.00 C ATOM 737 OD1 ASP A 51 3.945 11.222 8.839 1.00 0.00 O ATOM 738 OD2 ASP A 51 3.771 9.950 10.615 1.00 0.00 O ATOM 0 H ASP A 51 6.025 11.035 7.414 1.00 0.00 H new ATOM 0 HA ASP A 51 7.650 9.439 9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.228 10.228 10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.336 11.577 9.797 1.00 0.00 H new ATOM 743 N GLY A 52 5.364 8.057 7.565 1.00 0.00 N ATOM 744 CA GLY A 52 4.688 6.798 7.324 1.00 0.00 C ATOM 745 C GLY A 52 3.204 6.870 7.612 1.00 0.00 C ATOM 746 O GLY A 52 2.630 5.951 8.198 1.00 0.00 O ATOM 0 H GLY A 52 5.408 8.680 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.839 6.502 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.138 6.024 7.945 1.00 0.00 H new ATOM 750 N MET A 53 2.569 7.938 7.157 1.00 0.00 N ATOM 751 CA MET A 53 1.133 8.095 7.317 1.00 0.00 C ATOM 752 C MET A 53 0.529 8.679 6.047 1.00 0.00 C ATOM 753 O MET A 53 1.135 9.527 5.392 1.00 0.00 O ATOM 754 CB MET A 53 0.810 8.986 8.525 1.00 0.00 C ATOM 755 CG MET A 53 0.961 10.474 8.258 1.00 0.00 C ATOM 756 SD MET A 53 -0.548 11.399 8.600 1.00 0.00 S ATOM 757 CE MET A 53 0.067 13.082 8.489 1.00 0.00 C ATOM 0 H MET A 53 3.027 8.710 6.673 1.00 0.00 H new ATOM 0 HA MET A 53 0.696 7.113 7.498 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.213 8.788 8.846 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.463 8.708 9.352 1.00 0.00 H new ATOM 0 HG2 MET A 53 1.771 10.869 8.871 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.247 10.625 7.217 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.748 13.780 8.677 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.851 13.232 9.231 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.472 13.256 7.492 1.00 0.00 H new ATOM 767 N LEU A 54 -0.657 8.217 5.689 1.00 0.00 N ATOM 768 CA LEU A 54 -1.322 8.700 4.490 1.00 0.00 C ATOM 769 C LEU A 54 -2.010 10.029 4.771 1.00 0.00 C ATOM 770 O LEU A 54 -3.117 10.064 5.308 1.00 0.00 O ATOM 771 CB LEU A 54 -2.342 7.676 3.982 1.00 0.00 C ATOM 772 CG LEU A 54 -2.117 6.237 4.452 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.333 5.730 5.209 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.811 5.332 3.268 1.00 0.00 C ATOM 0 H LEU A 54 -1.178 7.511 6.209 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.568 8.846 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.336 7.992 4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.334 7.690 2.892 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.260 6.224 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.157 4.705 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.510 6.363 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.205 5.757 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.654 4.313 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.648 5.350 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.911 5.684 2.764 1.00 0.00 H new ATOM 786 N LEU A 55 -1.340 11.122 4.433 1.00 0.00 N ATOM 787 CA LEU A 55 -1.887 12.449 4.680 1.00 0.00 C ATOM 788 C LEU A 55 -3.022 12.739 3.704 1.00 0.00 C ATOM 789 O LEU A 55 -4.026 13.356 4.063 1.00 0.00 O ATOM 790 CB LEU A 55 -0.790 13.517 4.573 1.00 0.00 C ATOM 791 CG LEU A 55 -0.324 13.864 3.152 1.00 0.00 C ATOM 792 CD1 LEU A 55 -0.697 15.296 2.801 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.179 13.660 3.021 1.00 0.00 C ATOM 0 H LEU A 55 -0.422 11.117 3.989 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.286 12.478 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.151 14.429 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.074 13.180 5.145 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.827 13.196 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.358 15.523 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.779 15.414 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.221 15.979 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.493 13.910 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.697 14.305 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.424 12.619 3.230 1.00 0.00 H new ATOM 805 N ASP A 56 -2.872 12.236 2.486 1.00 0.00 N ATOM 806 CA ASP A 56 -3.896 12.382 1.465 1.00 0.00 C ATOM 807 C ASP A 56 -4.264 11.023 0.892 1.00 0.00 C ATOM 808 O ASP A 56 -3.525 10.459 0.087 1.00 0.00 O ATOM 809 CB ASP A 56 -3.414 13.306 0.344 1.00 0.00 C ATOM 810 CG ASP A 56 -4.557 13.846 -0.493 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.719 13.781 -0.040 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.299 14.355 -1.606 1.00 0.00 O ATOM 0 H ASP A 56 -2.046 11.721 2.182 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.778 12.825 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.859 14.139 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.722 12.762 -0.299 1.00 0.00 H new ATOM 817 N ILE A 57 -5.390 10.488 1.332 1.00 0.00 N ATOM 818 CA ILE A 57 -5.840 9.182 0.880 1.00 0.00 C ATOM 819 C ILE A 57 -7.281 9.262 0.380 1.00 0.00 C ATOM 820 O ILE A 57 -8.210 9.520 1.152 1.00 0.00 O ATOM 821 CB ILE A 57 -5.713 8.114 1.999 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.575 6.883 1.685 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.086 8.701 3.354 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.362 5.727 2.640 1.00 0.00 C ATOM 0 H ILE A 57 -6.011 10.939 2.004 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.195 8.875 0.057 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.671 7.795 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.626 7.172 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.358 6.549 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.989 7.934 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.421 9.533 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.116 9.058 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.005 4.895 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.320 5.410 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.607 6.043 3.654 1.00 0.00 H new ATOM 836 N LYS A 58 -7.449 9.095 -0.924 1.00 0.00 N ATOM 837 CA LYS A 58 -8.762 9.192 -1.547 1.00 0.00 C ATOM 838 C LYS A 58 -8.799 8.364 -2.828 1.00 0.00 C ATOM 839 O LYS A 58 -7.820 8.319 -3.570 1.00 0.00 O ATOM 840 CB LYS A 58 -9.097 10.656 -1.860 1.00 0.00 C ATOM 841 CG LYS A 58 -10.177 11.244 -0.963 1.00 0.00 C ATOM 842 CD LYS A 58 -11.426 11.597 -1.753 1.00 0.00 C ATOM 843 CE LYS A 58 -12.271 12.625 -1.022 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.086 13.990 -1.575 1.00 0.00 N ATOM 0 H LYS A 58 -6.689 8.891 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.506 8.803 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.191 11.255 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.419 10.731 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.430 10.529 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.794 12.136 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.142 11.986 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.015 10.697 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.322 12.345 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.009 12.624 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.680 14.661 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.088 14.268 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.360 13.998 -2.578 1.00 0.00 H new ATOM 858 N PRO A 59 -9.927 7.692 -3.108 1.00 0.00 N ATOM 859 CA PRO A 59 -10.073 6.868 -4.309 1.00 0.00 C ATOM 860 C PRO A 59 -10.013 7.705 -5.583 1.00 0.00 C ATOM 861 O PRO A 59 -10.793 8.643 -5.760 1.00 0.00 O ATOM 862 CB PRO A 59 -11.459 6.227 -4.161 1.00 0.00 C ATOM 863 CG PRO A 59 -11.838 6.423 -2.731 1.00 0.00 C ATOM 864 CD PRO A 59 -11.145 7.678 -2.285 1.00 0.00 C ATOM 0 HA PRO A 59 -9.268 6.138 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.182 6.698 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.431 5.168 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.919 6.515 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.529 5.571 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.759 8.562 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.913 7.654 -1.220 1.00 0.00 H new ATOM 872 N GLU A 60 -9.103 7.343 -6.476 1.00 0.00 N ATOM 873 CA GLU A 60 -8.961 8.034 -7.747 1.00 0.00 C ATOM 874 C GLU A 60 -9.975 7.487 -8.742 1.00 0.00 C ATOM 875 O GLU A 60 -10.790 8.229 -9.293 1.00 0.00 O ATOM 876 CB GLU A 60 -7.535 7.873 -8.291 1.00 0.00 C ATOM 877 CG GLU A 60 -7.357 8.381 -9.714 1.00 0.00 C ATOM 878 CD GLU A 60 -7.160 9.881 -9.774 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.140 10.369 -9.257 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.028 10.580 -10.337 1.00 0.00 O ATOM 0 H GLU A 60 -8.450 6.571 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.148 9.097 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.845 8.405 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.260 6.819 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.498 7.887 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.231 8.109 -10.306 1.00 0.00 H new ATOM 887 N GLY A 61 -9.948 6.179 -8.926 1.00 0.00 N ATOM 888 CA GLY A 61 -10.893 5.530 -9.806 1.00 0.00 C ATOM 889 C GLY A 61 -10.965 4.046 -9.534 1.00 0.00 C ATOM 890 O GLY A 61 -9.960 3.432 -9.171 1.00 0.00 O ATOM 0 H GLY A 61 -9.282 5.550 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.880 5.974 -9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.603 5.698 -10.843 1.00 0.00 H new ATOM 894 N GLY A 62 -12.148 3.472 -9.667 1.00 0.00 N ATOM 895 CA GLY A 62 -12.311 2.061 -9.394 1.00 0.00 C ATOM 896 C GLY A 62 -13.737 1.698 -9.064 1.00 0.00 C ATOM 897 O GLY A 62 -14.659 2.047 -9.803 1.00 0.00 O ATOM 0 H GLY A 62 -12.997 3.956 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.984 1.486 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.666 1.778 -8.562 1.00 0.00 H new ATOM 901 N ASP A 63 -13.914 0.978 -7.967 1.00 0.00 N ATOM 902 CA ASP A 63 -15.233 0.533 -7.548 1.00 0.00 C ATOM 903 C ASP A 63 -15.524 0.989 -6.126 1.00 0.00 C ATOM 904 O ASP A 63 -14.764 0.691 -5.206 1.00 0.00 O ATOM 905 CB ASP A 63 -15.335 -0.990 -7.640 1.00 0.00 C ATOM 906 CG ASP A 63 -16.216 -1.431 -8.788 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.455 -1.339 -8.663 1.00 0.00 O ATOM 908 OD2 ASP A 63 -15.672 -1.866 -9.827 1.00 0.00 O ATOM 0 H ASP A 63 -13.156 0.689 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.972 0.977 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.338 -1.413 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.734 -1.384 -6.705 1.00 0.00 H new ATOM 913 N PRO A 64 -16.608 1.759 -5.944 1.00 0.00 N ATOM 914 CA PRO A 64 -16.995 2.322 -4.646 1.00 0.00 C ATOM 915 C PRO A 64 -16.950 1.305 -3.504 1.00 0.00 C ATOM 916 O PRO A 64 -16.465 1.615 -2.415 1.00 0.00 O ATOM 917 CB PRO A 64 -18.430 2.783 -4.889 1.00 0.00 C ATOM 918 CG PRO A 64 -18.467 3.137 -6.333 1.00 0.00 C ATOM 919 CD PRO A 64 -17.521 2.188 -7.020 1.00 0.00 C ATOM 0 HA PRO A 64 -16.312 3.111 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.145 1.995 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.683 3.639 -4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.476 3.039 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.162 4.172 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.051 1.341 -7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.981 2.678 -7.830 1.00 0.00 H new ATOM 927 N ALA A 65 -17.481 0.109 -3.745 1.00 0.00 N ATOM 928 CA ALA A 65 -17.528 -0.927 -2.717 1.00 0.00 C ATOM 929 C ALA A 65 -16.128 -1.330 -2.256 1.00 0.00 C ATOM 930 O ALA A 65 -15.837 -1.345 -1.056 1.00 0.00 O ATOM 931 CB ALA A 65 -18.284 -2.145 -3.226 1.00 0.00 C ATOM 0 H ALA A 65 -17.884 -0.166 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.055 -0.513 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.310 -2.908 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.303 -1.858 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.782 -2.543 -4.108 1.00 0.00 H new ATOM 937 N LEU A 66 -15.271 -1.665 -3.212 1.00 0.00 N ATOM 938 CA LEU A 66 -13.907 -2.084 -2.906 1.00 0.00 C ATOM 939 C LEU A 66 -13.105 -0.930 -2.308 1.00 0.00 C ATOM 940 O LEU A 66 -12.346 -1.116 -1.356 1.00 0.00 O ATOM 941 CB LEU A 66 -13.214 -2.613 -4.167 1.00 0.00 C ATOM 942 CG LEU A 66 -12.153 -3.695 -3.926 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.778 -4.965 -3.371 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.406 -4.003 -5.209 1.00 0.00 C ATOM 0 H LEU A 66 -15.495 -1.655 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.956 -2.886 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.973 -3.015 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.745 -1.775 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.448 -3.310 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.001 -5.713 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.270 -4.744 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.511 -5.350 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.658 -4.772 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.109 -4.359 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.914 -3.100 -5.569 1.00 0.00 H new ATOM 956 N CYS A 67 -13.264 0.253 -2.883 1.00 0.00 N ATOM 957 CA CYS A 67 -12.539 1.432 -2.429 1.00 0.00 C ATOM 958 C CYS A 67 -12.916 1.807 -0.997 1.00 0.00 C ATOM 959 O CYS A 67 -12.048 2.141 -0.194 1.00 0.00 O ATOM 960 CB CYS A 67 -12.800 2.610 -3.368 1.00 0.00 C ATOM 961 SG CYS A 67 -11.672 2.691 -4.800 1.00 0.00 S ATOM 0 H CYS A 67 -13.892 0.423 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.476 1.192 -2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.826 2.550 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.716 3.537 -2.801 1.00 0.00 H new ATOM 966 N GLN A 68 -14.205 1.742 -0.673 1.00 0.00 N ATOM 967 CA GLN A 68 -14.668 2.075 0.671 1.00 0.00 C ATOM 968 C GLN A 68 -14.137 1.071 1.687 1.00 0.00 C ATOM 969 O GLN A 68 -13.708 1.449 2.778 1.00 0.00 O ATOM 970 CB GLN A 68 -16.197 2.109 0.725 1.00 0.00 C ATOM 971 CG GLN A 68 -16.786 3.498 0.536 1.00 0.00 C ATOM 972 CD GLN A 68 -16.344 4.482 1.606 1.00 0.00 C ATOM 973 OE1 GLN A 68 -15.944 5.607 1.303 1.00 0.00 O ATOM 974 NE2 GLN A 68 -16.421 4.074 2.863 1.00 0.00 N ATOM 0 H GLN A 68 -14.944 1.463 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.286 3.065 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.593 1.448 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.526 1.712 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.495 3.880 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.874 3.429 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.757 3.135 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.144 4.699 3.620 1.00 0.00 H new ATOM 983 N ALA A 69 -14.121 -0.201 1.300 1.00 0.00 N ATOM 984 CA ALA A 69 -13.588 -1.256 2.155 1.00 0.00 C ATOM 985 C ALA A 69 -12.107 -1.019 2.426 1.00 0.00 C ATOM 986 O ALA A 69 -11.631 -1.184 3.551 1.00 0.00 O ATOM 987 CB ALA A 69 -13.804 -2.623 1.518 1.00 0.00 C ATOM 0 H ALA A 69 -14.471 -0.526 0.399 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.122 -1.235 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.400 -3.397 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.871 -2.792 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.296 -2.660 0.554 1.00 0.00 H new ATOM 993 N ALA A 70 -11.400 -0.566 1.399 1.00 0.00 N ATOM 994 CA ALA A 70 -9.994 -0.226 1.526 1.00 0.00 C ATOM 995 C ALA A 70 -9.813 0.991 2.422 1.00 0.00 C ATOM 996 O ALA A 70 -8.958 0.995 3.298 1.00 0.00 O ATOM 997 CB ALA A 70 -9.389 0.036 0.160 1.00 0.00 C ATOM 0 H ALA A 70 -11.783 -0.426 0.464 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.479 -1.071 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.335 0.290 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.484 -0.857 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.913 0.864 -0.317 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.623 2.022 2.186 1.00 0.00 N ATOM 1004 CA LEU A 71 -10.555 3.261 2.961 1.00 0.00 C ATOM 1005 C LEU A 71 -10.692 2.981 4.453 1.00 0.00 C ATOM 1006 O LEU A 71 -9.954 3.533 5.274 1.00 0.00 O ATOM 1007 CB LEU A 71 -11.661 4.236 2.528 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.471 4.917 1.169 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.994 6.344 1.214 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.010 4.904 0.741 1.00 0.00 C ATOM 0 H LEU A 71 -11.339 2.024 1.459 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.581 3.712 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.607 3.695 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.752 5.011 3.289 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.042 4.353 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.852 6.814 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.056 6.335 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.450 6.907 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.910 5.395 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.410 5.434 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.663 3.874 0.663 1.00 0.00 H new ATOM 1022 N ALA A 72 -11.669 2.150 4.795 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.951 1.826 6.184 1.00 0.00 C ATOM 1024 C ALA A 72 -10.808 1.044 6.825 1.00 0.00 C ATOM 1025 O ALA A 72 -10.517 1.220 8.005 1.00 0.00 O ATOM 1026 CB ALA A 72 -13.252 1.044 6.285 1.00 0.00 C ATOM 0 H ALA A 72 -12.281 1.687 4.124 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.053 2.763 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.454 0.807 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.069 1.644 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.167 0.120 5.713 1.00 0.00 H new ATOM 1032 N ALA A 73 -10.211 0.135 6.069 1.00 0.00 N ATOM 1033 CA ALA A 73 -9.157 -0.724 6.598 1.00 0.00 C ATOM 1034 C ALA A 73 -7.795 -0.028 6.604 1.00 0.00 C ATOM 1035 O ALA A 73 -6.996 -0.230 7.516 1.00 0.00 O ATOM 1036 CB ALA A 73 -9.080 -2.012 5.799 1.00 0.00 C ATOM 0 H ALA A 73 -10.437 -0.028 5.088 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.413 -0.952 7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.290 -2.644 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.033 -2.537 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.862 -1.781 4.756 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.500 0.699 5.530 1.00 0.00 N ATOM 1043 CA ALA A 74 -6.186 1.318 5.352 1.00 0.00 C ATOM 1044 C ALA A 74 -5.862 2.309 6.461 1.00 0.00 C ATOM 1045 O ALA A 74 -4.703 2.476 6.832 1.00 0.00 O ATOM 1046 CB ALA A 74 -6.102 2.005 3.997 1.00 0.00 C ATOM 0 H ALA A 74 -8.154 0.875 4.767 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.446 0.519 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.119 2.460 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.258 1.271 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.869 2.777 3.932 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.886 2.979 6.975 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.690 3.968 8.027 1.00 0.00 C ATOM 1054 C LYS A 75 -6.342 3.298 9.357 1.00 0.00 C ATOM 1055 O LYS A 75 -5.730 3.913 10.227 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.923 4.874 8.165 1.00 0.00 C ATOM 1057 CG LYS A 75 -9.093 4.246 8.914 1.00 0.00 C ATOM 1058 CD LYS A 75 -10.434 4.584 8.266 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.484 6.020 7.765 1.00 0.00 C ATOM 1060 NZ LYS A 75 -11.151 6.925 8.738 1.00 0.00 N ATOM 0 H LYS A 75 -7.855 2.857 6.682 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.845 4.596 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.629 5.789 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.259 5.162 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.966 3.164 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.091 4.594 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.615 3.904 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.235 4.425 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.470 6.374 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.016 6.054 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.164 7.893 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.127 6.603 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.629 6.913 9.638 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.694 2.024 9.492 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.369 1.265 10.691 1.00 0.00 C ATOM 1076 C LEU A 76 -5.024 0.571 10.536 1.00 0.00 C ATOM 1077 O LEU A 76 -4.390 0.184 11.519 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.427 0.200 10.967 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.848 0.524 10.528 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.680 -0.747 10.500 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.474 1.548 11.455 1.00 0.00 C ATOM 0 H LEU A 76 -7.205 1.496 8.784 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.333 1.970 11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.120 -0.722 10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.438 -0.000 12.038 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.817 0.950 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.696 -0.510 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.239 -1.455 9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.703 -1.189 11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.489 1.766 11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.500 1.152 12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.883 2.464 11.438 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.657 0.317 9.292 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.458 -0.442 8.980 1.00 0.00 C ATOM 1095 C ALA A 77 -2.198 0.285 9.436 1.00 0.00 C ATOM 1096 O ALA A 77 -2.067 1.498 9.270 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.398 -0.727 7.491 1.00 0.00 C ATOM 0 H ALA A 77 -5.179 0.629 8.473 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.505 -1.386 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.496 -1.296 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.275 -1.304 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.380 0.214 6.941 1.00 0.00 H new ATOM 1103 N LYS A 78 -1.266 -0.471 9.995 1.00 0.00 N ATOM 1104 CA LYS A 78 -0.005 0.083 10.458 1.00 0.00 C ATOM 1105 C LYS A 78 1.089 -0.153 9.423 1.00 0.00 C ATOM 1106 O LYS A 78 1.875 -1.096 9.534 1.00 0.00 O ATOM 1107 CB LYS A 78 0.383 -0.532 11.803 1.00 0.00 C ATOM 1108 CG LYS A 78 0.332 0.458 12.958 1.00 0.00 C ATOM 1109 CD LYS A 78 -1.092 0.910 13.258 1.00 0.00 C ATOM 1110 CE LYS A 78 -1.323 2.350 12.827 1.00 0.00 C ATOM 1111 NZ LYS A 78 -1.893 3.178 13.923 1.00 0.00 N ATOM 0 H LYS A 78 -1.361 -1.476 10.139 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.124 1.158 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.285 -1.366 12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.390 -0.942 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.762 -0.001 13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.946 1.327 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.798 0.258 12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.288 0.813 14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.379 2.785 12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.998 2.368 11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.034 4.151 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.806 2.779 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.238 3.183 14.731 1.00 0.00 H new ATOM 1125 N ILE A 79 1.111 0.704 8.413 1.00 0.00 N ATOM 1126 CA ILE A 79 2.083 0.611 7.333 1.00 0.00 C ATOM 1127 C ILE A 79 3.470 1.006 7.826 1.00 0.00 C ATOM 1128 O ILE A 79 3.649 2.070 8.419 1.00 0.00 O ATOM 1129 CB ILE A 79 1.679 1.519 6.146 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.238 1.223 5.715 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.636 1.340 4.976 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.704 2.391 5.915 1.00 0.00 C ATOM 0 H ILE A 79 0.458 1.482 8.319 1.00 0.00 H new ATOM 0 HA ILE A 79 2.104 -0.424 6.993 1.00 0.00 H new ATOM 0 HB ILE A 79 1.737 2.557 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.233 0.939 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.133 0.367 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.331 1.988 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.647 1.602 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.616 0.302 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.706 2.111 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.729 2.662 6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.357 3.243 5.330 1.00 0.00 H new ATOM 1144 N PRO A 80 4.462 0.128 7.616 1.00 0.00 N ATOM 1145 CA PRO A 80 5.838 0.356 8.060 1.00 0.00 C ATOM 1146 C PRO A 80 6.496 1.515 7.313 1.00 0.00 C ATOM 1147 O PRO A 80 5.906 2.106 6.407 1.00 0.00 O ATOM 1148 CB PRO A 80 6.559 -0.959 7.734 1.00 0.00 C ATOM 1149 CG PRO A 80 5.479 -1.955 7.474 1.00 0.00 C ATOM 1150 CD PRO A 80 4.310 -1.173 6.955 1.00 0.00 C ATOM 0 HA PRO A 80 5.880 0.623 9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.206 -0.846 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.192 -1.275 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.803 -2.701 6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.216 -2.491 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.337 -1.079 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.362 -1.647 7.210 1.00 0.00 H new ATOM 1158 N LYS A 81 7.727 1.826 7.682 1.00 0.00 N ATOM 1159 CA LYS A 81 8.469 2.890 7.043 1.00 0.00 C ATOM 1160 C LYS A 81 9.236 2.351 5.841 1.00 0.00 C ATOM 1161 O LYS A 81 9.735 1.227 5.882 1.00 0.00 O ATOM 1162 CB LYS A 81 9.431 3.508 8.055 1.00 0.00 C ATOM 1163 CG LYS A 81 9.102 4.946 8.417 1.00 0.00 C ATOM 1164 CD LYS A 81 7.635 5.110 8.789 1.00 0.00 C ATOM 1165 CE LYS A 81 7.319 4.474 10.137 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.821 5.471 11.118 1.00 0.00 N ATOM 0 H LYS A 81 8.234 1.350 8.428 1.00 0.00 H new ATOM 0 HA LYS A 81 7.777 3.654 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.425 2.905 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.443 3.467 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.727 5.264 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.339 5.597 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.384 6.170 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.012 4.657 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.571 3.692 10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.215 3.994 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.210 4.998 11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.627 5.910 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.276 6.205 10.621 1.00 0.00 H new ATOM 1180 N PRO A 82 9.329 3.140 4.756 1.00 0.00 N ATOM 1181 CA PRO A 82 10.034 2.747 3.528 1.00 0.00 C ATOM 1182 C PRO A 82 11.429 2.190 3.815 1.00 0.00 C ATOM 1183 O PRO A 82 12.260 2.860 4.429 1.00 0.00 O ATOM 1184 CB PRO A 82 10.137 4.052 2.725 1.00 0.00 C ATOM 1185 CG PRO A 82 9.683 5.132 3.651 1.00 0.00 C ATOM 1186 CD PRO A 82 8.749 4.478 4.624 1.00 0.00 C ATOM 0 HA PRO A 82 9.507 1.952 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.160 4.227 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.512 4.013 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.530 5.585 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.180 5.929 3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.720 5.005 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.727 4.444 4.247 1.00 0.00 H new ATOM 1194 N PRO A 83 11.664 0.918 3.453 1.00 0.00 N ATOM 1195 CA PRO A 83 12.919 0.216 3.757 1.00 0.00 C ATOM 1196 C PRO A 83 14.137 0.837 3.081 1.00 0.00 C ATOM 1197 O PRO A 83 15.259 0.711 3.570 1.00 0.00 O ATOM 1198 CB PRO A 83 12.683 -1.203 3.224 1.00 0.00 C ATOM 1199 CG PRO A 83 11.536 -1.084 2.279 1.00 0.00 C ATOM 1200 CD PRO A 83 10.683 0.030 2.809 1.00 0.00 C ATOM 0 HA PRO A 83 13.142 0.259 4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.570 -1.586 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.454 -1.895 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.883 -0.864 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.974 -2.016 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.141 0.538 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.940 -0.333 3.519 1.00 0.00 H new ATOM 1208 N SER A 84 13.922 1.458 1.932 1.00 0.00 N ATOM 1209 CA SER A 84 15.019 2.035 1.169 1.00 0.00 C ATOM 1210 C SER A 84 14.687 3.452 0.706 1.00 0.00 C ATOM 1211 O SER A 84 13.517 3.833 0.625 1.00 0.00 O ATOM 1212 CB SER A 84 15.331 1.142 -0.035 1.00 0.00 C ATOM 1213 OG SER A 84 14.760 -0.149 0.129 1.00 0.00 O ATOM 0 H SER A 84 13.002 1.576 1.508 1.00 0.00 H new ATOM 0 HA SER A 84 15.895 2.094 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.944 1.602 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.411 1.054 -0.157 1.00 0.00 H new ATOM 0 HG SER A 84 14.618 -0.558 -0.750 1.00 0.00 H new ATOM 1219 N GLN A 85 15.727 4.218 0.385 1.00 0.00 N ATOM 1220 CA GLN A 85 15.576 5.591 -0.098 1.00 0.00 C ATOM 1221 C GLN A 85 14.817 5.628 -1.422 1.00 0.00 C ATOM 1222 O GLN A 85 14.040 6.546 -1.676 1.00 0.00 O ATOM 1223 CB GLN A 85 16.948 6.243 -0.274 1.00 0.00 C ATOM 1224 CG GLN A 85 17.323 7.197 0.846 1.00 0.00 C ATOM 1225 CD GLN A 85 16.340 8.339 1.001 1.00 0.00 C ATOM 1226 OE1 GLN A 85 15.317 8.207 1.673 1.00 0.00 O ATOM 1227 NE2 GLN A 85 16.645 9.469 0.388 1.00 0.00 N ATOM 0 H GLN A 85 16.696 3.907 0.452 1.00 0.00 H new ATOM 0 HA GLN A 85 15.003 6.146 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.705 5.462 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.964 6.784 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.381 6.644 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.316 7.603 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.503 9.537 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.022 10.274 0.462 1.00 0.00 H new ATOM 1236 N ALA A 86 15.032 4.613 -2.250 1.00 0.00 N ATOM 1237 CA ALA A 86 14.351 4.513 -3.538 1.00 0.00 C ATOM 1238 C ALA A 86 12.836 4.452 -3.351 1.00 0.00 C ATOM 1239 O ALA A 86 12.081 5.057 -4.113 1.00 0.00 O ATOM 1240 CB ALA A 86 14.839 3.290 -4.299 1.00 0.00 C ATOM 0 H ALA A 86 15.674 3.845 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 86 14.586 5.405 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.323 3.228 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.912 3.372 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.632 2.392 -3.716 1.00 0.00 H new ATOM 1246 N VAL A 87 12.407 3.751 -2.306 1.00 0.00 N ATOM 1247 CA VAL A 87 10.989 3.636 -1.982 1.00 0.00 C ATOM 1248 C VAL A 87 10.464 4.933 -1.369 1.00 0.00 C ATOM 1249 O VAL A 87 9.285 5.264 -1.499 1.00 0.00 O ATOM 1250 CB VAL A 87 10.723 2.475 -1.000 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.279 2.014 -1.098 1.00 0.00 C ATOM 1252 CG2 VAL A 87 11.671 1.312 -1.255 1.00 0.00 C ATOM 0 H VAL A 87 13.025 3.252 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 87 10.466 3.434 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 87 10.904 2.842 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.110 1.195 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.615 2.843 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.074 1.673 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.460 0.509 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.532 0.946 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.700 1.647 -1.127 1.00 0.00 H new ATOM 1262 N TYR A 88 11.363 5.678 -0.734 1.00 0.00 N ATOM 1263 CA TYR A 88 11.023 6.963 -0.129 1.00 0.00 C ATOM 1264 C TYR A 88 10.534 7.943 -1.194 1.00 0.00 C ATOM 1265 O TYR A 88 9.607 8.715 -0.963 1.00 0.00 O ATOM 1266 CB TYR A 88 12.249 7.540 0.584 1.00 0.00 C ATOM 1267 CG TYR A 88 11.988 8.069 1.978 1.00 0.00 C ATOM 1268 CD1 TYR A 88 11.352 9.288 2.177 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.394 7.350 3.095 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.133 9.778 3.450 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.176 7.832 4.371 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.544 9.045 4.544 1.00 0.00 C ATOM 1273 OH TYR A 88 11.330 9.529 5.815 1.00 0.00 O ATOM 0 H TYR A 88 12.341 5.411 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 88 10.223 6.808 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.014 6.766 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.658 8.347 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.024 9.862 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.888 6.399 2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.642 10.730 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.499 7.261 5.229 1.00 0.00 H new ATOM 0 HH TYR A 88 10.407 9.340 6.086 1.00 0.00 H new ATOM 1283 N GLU A 89 11.155 7.892 -2.366 1.00 0.00 N ATOM 1284 CA GLU A 89 10.772 8.763 -3.471 1.00 0.00 C ATOM 1285 C GLU A 89 9.436 8.323 -4.061 1.00 0.00 C ATOM 1286 O GLU A 89 8.646 9.144 -4.526 1.00 0.00 O ATOM 1287 CB GLU A 89 11.848 8.746 -4.559 1.00 0.00 C ATOM 1288 CG GLU A 89 13.264 8.734 -4.013 1.00 0.00 C ATOM 1289 CD GLU A 89 14.305 8.476 -5.081 1.00 0.00 C ATOM 1290 OE1 GLU A 89 13.929 8.225 -6.247 1.00 0.00 O ATOM 1291 OE2 GLU A 89 15.510 8.525 -4.762 1.00 0.00 O ATOM 0 H GLU A 89 11.925 7.257 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 89 10.670 9.778 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.703 7.868 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.721 9.620 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.471 9.691 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.344 7.968 -3.242 1.00 0.00 H new ATOM 1298 N VAL A 90 9.217 7.015 -4.078 1.00 0.00 N ATOM 1299 CA VAL A 90 8.013 6.440 -4.660 1.00 0.00 C ATOM 1300 C VAL A 90 6.778 6.743 -3.811 1.00 0.00 C ATOM 1301 O VAL A 90 5.761 7.208 -4.327 1.00 0.00 O ATOM 1302 CB VAL A 90 8.154 4.908 -4.832 1.00 0.00 C ATOM 1303 CG1 VAL A 90 6.873 4.297 -5.384 1.00 0.00 C ATOM 1304 CG2 VAL A 90 9.329 4.579 -5.739 1.00 0.00 C ATOM 0 H VAL A 90 9.864 6.328 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 90 7.885 6.900 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 90 8.339 4.476 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.002 3.220 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.050 4.496 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.649 4.737 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.413 3.498 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.171 5.032 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.247 4.972 -5.302 1.00 0.00 H new ATOM 1314 N PHE A 91 6.832 6.395 -2.529 1.00 0.00 N ATOM 1315 CA PHE A 91 5.669 6.530 -1.650 1.00 0.00 C ATOM 1316 C PHE A 91 5.338 7.989 -1.325 1.00 0.00 C ATOM 1317 O PHE A 91 4.465 8.271 -0.510 1.00 0.00 O ATOM 1318 CB PHE A 91 5.872 5.694 -0.367 1.00 0.00 C ATOM 1319 CG PHE A 91 6.460 6.433 0.814 1.00 0.00 C ATOM 1320 CD1 PHE A 91 7.593 7.216 0.676 1.00 0.00 C ATOM 1321 CD2 PHE A 91 5.871 6.338 2.064 1.00 0.00 C ATOM 1322 CE1 PHE A 91 8.127 7.887 1.759 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.400 7.008 3.151 1.00 0.00 C ATOM 1324 CZ PHE A 91 7.529 7.785 2.997 1.00 0.00 C ATOM 0 H PHE A 91 7.664 6.019 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 91 4.805 6.141 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.909 5.280 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.521 4.851 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.066 7.304 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.986 5.732 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.013 8.492 1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.930 6.923 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.943 8.312 3.844 1.00 0.00 H new ATOM 1334 N LYS A 92 5.992 8.916 -2.003 1.00 0.00 N ATOM 1335 CA LYS A 92 5.710 10.326 -1.807 1.00 0.00 C ATOM 1336 C LYS A 92 4.397 10.724 -2.472 1.00 0.00 C ATOM 1337 O LYS A 92 3.777 11.709 -2.075 1.00 0.00 O ATOM 1338 CB LYS A 92 6.855 11.179 -2.357 1.00 0.00 C ATOM 1339 CG LYS A 92 7.411 12.167 -1.346 1.00 0.00 C ATOM 1340 CD LYS A 92 8.489 11.528 -0.491 1.00 0.00 C ATOM 1341 CE LYS A 92 8.214 11.699 0.994 1.00 0.00 C ATOM 1342 NZ LYS A 92 6.836 11.276 1.357 1.00 0.00 N ATOM 0 H LYS A 92 6.719 8.719 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 92 5.616 10.502 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.658 10.523 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.503 11.725 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.821 13.032 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.605 12.531 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.557 10.466 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.455 11.971 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.935 11.115 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.358 12.743 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.772 11.149 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.158 12.005 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.612 10.378 0.883 1.00 0.00 H new ATOM 1356 N ASN A 93 3.994 9.979 -3.504 1.00 0.00 N ATOM 1357 CA ASN A 93 2.770 10.301 -4.243 1.00 0.00 C ATOM 1358 C ASN A 93 2.436 9.226 -5.274 1.00 0.00 C ATOM 1359 O ASN A 93 1.859 9.519 -6.324 1.00 0.00 O ATOM 1360 CB ASN A 93 2.889 11.670 -4.938 1.00 0.00 C ATOM 1361 CG ASN A 93 4.061 11.761 -5.902 1.00 0.00 C ATOM 1362 OD1 ASN A 93 5.220 11.594 -5.518 1.00 0.00 O ATOM 1363 ND2 ASN A 93 3.772 12.037 -7.163 1.00 0.00 N ATOM 0 H ASN A 93 4.491 9.156 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 93 1.959 10.342 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.966 11.875 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.992 12.446 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.520 12.118 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.801 12.169 -7.447 1.00 0.00 H new ATOM 1370 N ALA A 94 2.733 7.977 -4.945 1.00 0.00 N ATOM 1371 CA ALA A 94 2.395 6.866 -5.822 1.00 0.00 C ATOM 1372 C ALA A 94 1.164 6.132 -5.310 1.00 0.00 C ATOM 1373 O ALA A 94 1.185 5.543 -4.230 1.00 0.00 O ATOM 1374 CB ALA A 94 3.564 5.906 -5.954 1.00 0.00 C ATOM 0 H ALA A 94 3.205 7.709 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 94 2.171 7.272 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.287 5.084 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.422 6.433 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.823 5.511 -4.972 1.00 0.00 H new ATOM 1380 N PRO A 95 0.059 6.206 -6.057 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.212 5.595 -5.665 1.00 0.00 C ATOM 1382 C PRO A 95 -1.168 4.073 -5.799 1.00 0.00 C ATOM 1383 O PRO A 95 -0.457 3.535 -6.650 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.217 6.202 -6.659 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.503 7.366 -7.261 1.00 0.00 C ATOM 1386 CD PRO A 95 -0.068 6.949 -7.312 1.00 0.00 C ATOM 0 HA PRO A 95 -1.466 5.786 -4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.506 5.478 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.131 6.516 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.885 7.592 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.633 8.265 -6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.149 6.328 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.607 7.804 -7.354 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.843 3.383 -4.892 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.790 1.928 -4.845 1.00 0.00 C ATOM 1396 C LEU A 96 -2.905 1.302 -5.672 1.00 0.00 C ATOM 1397 O LEU A 96 -4.058 1.742 -5.620 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.893 1.443 -3.397 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.665 0.705 -2.854 1.00 0.00 C ATOM 1400 CD1 LEU A 96 -1.052 -0.147 -1.655 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -0.027 -0.159 -3.932 1.00 0.00 C ATOM 0 H LEU A 96 -2.435 3.807 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.835 1.618 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.088 2.304 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.756 0.783 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 96 0.067 1.448 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.171 -0.666 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.460 0.492 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.803 -0.878 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.842 -0.672 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.750 -0.895 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.284 0.470 -4.766 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.580 0.194 -6.325 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.572 -0.593 -7.034 1.00 0.00 C ATOM 1415 C ASP A 97 -4.249 -1.553 -6.061 1.00 0.00 C ATOM 1416 O ASP A 97 -3.707 -2.603 -5.712 1.00 0.00 O ATOM 1417 CB ASP A 97 -2.935 -1.363 -8.209 1.00 0.00 C ATOM 1418 CG ASP A 97 -1.864 -2.357 -7.781 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -0.832 -1.927 -7.231 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -2.053 -3.578 -7.995 1.00 0.00 O ATOM 0 H ASP A 97 -1.632 -0.179 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.321 0.080 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.717 -1.896 -8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.497 -0.648 -8.905 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.407 -1.160 -5.562 1.00 0.00 N ATOM 1426 CA PHE A 98 -6.100 -1.970 -4.583 1.00 0.00 C ATOM 1427 C PHE A 98 -6.830 -3.114 -5.258 1.00 0.00 C ATOM 1428 O PHE A 98 -7.862 -2.926 -5.904 1.00 0.00 O ATOM 1429 CB PHE A 98 -7.078 -1.148 -3.748 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.683 -1.946 -2.632 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -6.895 -2.400 -1.587 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -9.031 -2.264 -2.637 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -7.439 -3.155 -0.568 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -9.581 -3.017 -1.618 1.00 0.00 C ATOM 1435 CZ PHE A 98 -8.784 -3.464 -0.584 1.00 0.00 C ATOM 0 H PHE A 98 -5.882 -0.294 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.345 -2.373 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.561 -0.282 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.871 -0.768 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.842 -2.160 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.658 -1.920 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.813 -3.503 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.634 -3.256 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 98 -9.212 -4.055 0.212 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.291 -4.295 -5.075 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.861 -5.509 -5.610 1.00 0.00 C ATOM 1447 C LYS A 99 -6.497 -6.639 -4.669 1.00 0.00 C ATOM 1448 O LYS A 99 -5.449 -6.563 -4.023 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.304 -5.781 -7.016 1.00 0.00 C ATOM 1450 CG LYS A 99 -7.254 -6.547 -7.922 1.00 0.00 C ATOM 1451 CD LYS A 99 -6.673 -6.741 -9.311 1.00 0.00 C ATOM 1452 CE LYS A 99 -5.575 -7.792 -9.322 1.00 0.00 C ATOM 1453 NZ LYS A 99 -4.465 -7.411 -10.232 1.00 0.00 N ATOM 0 H LYS A 99 -5.433 -4.443 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.944 -5.420 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.057 -4.830 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.374 -6.342 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.473 -7.519 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.200 -6.010 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.466 -7.036 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.273 -5.794 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.189 -7.926 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.990 -8.750 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.733 -8.150 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.830 -7.307 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.053 -6.509 -9.919 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.361 -7.673 -4.550 1.00 0.00 N ATOM 1468 CA PRO A 100 -7.152 -8.822 -3.669 1.00 0.00 C ATOM 1469 C PRO A 100 -5.672 -9.169 -3.498 1.00 0.00 C ATOM 1470 O PRO A 100 -4.939 -9.272 -4.485 1.00 0.00 O ATOM 1471 CB PRO A 100 -7.899 -9.946 -4.396 1.00 0.00 C ATOM 1472 CG PRO A 100 -8.811 -9.277 -5.391 1.00 0.00 C ATOM 1473 CD PRO A 100 -8.640 -7.792 -5.246 1.00 0.00 C ATOM 0 HA PRO A 100 -7.507 -8.638 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.200 -10.615 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.470 -10.552 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.566 -9.592 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.848 -9.561 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.620 -7.292 -6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.454 -7.346 -4.674 1.00 0.00 H new ATOM 1481 N HIS A 101 -5.216 -9.105 -2.245 1.00 0.00 N ATOM 1482 CA HIS A 101 -3.787 -9.153 -1.919 1.00 0.00 C ATOM 1483 C HIS A 101 -3.031 -10.244 -2.680 1.00 0.00 C ATOM 1484 O HIS A 101 -3.563 -11.333 -2.922 1.00 0.00 O ATOM 1485 CB HIS A 101 -3.580 -9.297 -0.401 1.00 0.00 C ATOM 1486 CG HIS A 101 -4.090 -10.577 0.192 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -3.309 -11.414 0.954 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -5.319 -11.141 0.161 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -4.036 -12.437 1.363 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -5.262 -12.295 0.899 1.00 0.00 N ATOM 0 H HIS A 101 -5.823 -9.019 -1.430 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.363 -8.204 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.515 -9.214 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.072 -8.462 0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.187 -10.753 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.685 -13.254 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.038 -12.936 1.062 1.00 0.00 H new ATOM 1499 N HIS A 102 -1.828 -9.860 -3.132 1.00 0.00 N ATOM 1500 CA HIS A 102 -0.958 -10.676 -3.983 1.00 0.00 C ATOM 1501 C HIS A 102 -1.319 -10.471 -5.448 1.00 0.00 C ATOM 1502 O HIS A 102 -1.579 -9.307 -5.833 1.00 0.00 O ATOM 1503 CB HIS A 102 -1.002 -12.166 -3.615 1.00 0.00 C ATOM 1504 CG HIS A 102 0.286 -12.665 -3.042 1.00 0.00 C ATOM 1505 ND1 HIS A 102 1.052 -13.647 -3.635 1.00 0.00 N ATOM 1506 CD2 HIS A 102 0.953 -12.298 -1.926 1.00 0.00 C ATOM 1507 CE1 HIS A 102 2.130 -13.861 -2.906 1.00 0.00 C ATOM 1508 NE2 HIS A 102 2.093 -13.054 -1.863 1.00 0.00 N ATOM 0 H HIS A 102 -1.426 -8.950 -2.909 1.00 0.00 H new ATOM 0 HA HIS A 102 0.066 -10.344 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -1.803 -12.333 -2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.247 -12.747 -4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.644 -11.547 -1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.910 -14.575 -3.125 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.799 -13.002 -1.129 1.00 0.00 H new TER 1517 HIS A 102