USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot -130:sc= -0.296 USER MOD Set 1.2: A 48 THR OG1 : rot 86:sc= 1.14 USER MOD Set 2.1: A 9 TYR OH : rot 2:sc= 1.61 USER MOD Set 2.2: A 35 TYR OH : rot 6:sc= -0.0538 USER MOD Set 2.3: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0.21 USER MOD Set 3.2: A 71 ASN : amide:sc= 0.0578 X(o=0.27,f=0.065) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.928 (180deg=0.047) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.174 X(o=0.17,f=-0.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.489 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00833 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 73:sc= 0.343 USER MOD Single : A 75 HIS : no HE2:sc= 0.216 K(o=0.25,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc=-0.00245 X(o=-0.0024,f=-0.12) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.453 K(o=0.45,f=-1.8!) USER MOD Single : A 84 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.018) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-8.58e-05 X(o=-8.6e-05,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.999 22.393 1.995 1.00 64.01 N ATOM 2 CA MET A 1 -6.681 22.472 0.675 1.00 42.33 C ATOM 3 C MET A 1 -6.554 21.126 -0.063 1.00 41.44 C ATOM 4 O MET A 1 -7.543 20.418 -0.252 1.00 64.52 O ATOM 5 CB MET A 1 -6.093 23.628 -0.188 1.00 53.03 C ATOM 6 CG MET A 1 -6.120 25.005 0.489 1.00 34.14 C ATOM 7 SD MET A 1 -7.773 25.490 1.035 1.00 24.10 S ATOM 8 CE MET A 1 -7.471 27.113 1.748 1.00 23.50 C ATOM 0 H1 MET A 1 -6.599 22.831 2.723 1.00 64.01 H new ATOM 0 H2 MET A 1 -5.831 21.396 2.240 1.00 64.01 H new ATOM 0 H3 MET A 1 -5.090 22.896 1.947 1.00 64.01 H new ATOM 0 HA MET A 1 -7.737 22.685 0.843 1.00 42.33 H new ATOM 0 HB2 MET A 1 -5.062 23.384 -0.446 1.00 53.03 H new ATOM 0 HB3 MET A 1 -6.650 23.686 -1.123 1.00 53.03 H new ATOM 0 HG2 MET A 1 -5.448 24.995 1.347 1.00 34.14 H new ATOM 0 HG3 MET A 1 -5.739 25.753 -0.206 1.00 34.14 H new ATOM 0 HE1 MET A 1 -8.408 27.526 2.123 1.00 23.50 H new ATOM 0 HE2 MET A 1 -6.760 27.023 2.569 1.00 23.50 H new ATOM 0 HE3 MET A 1 -7.062 27.775 0.985 1.00 23.50 H new ATOM 20 N ASP A 2 -5.323 20.790 -0.476 1.00 64.31 N ATOM 21 CA ASP A 2 -5.002 19.512 -1.145 1.00 31.21 C ATOM 22 C ASP A 2 -4.128 18.611 -0.228 1.00 0.30 C ATOM 23 O ASP A 2 -2.944 18.885 0.000 1.00 13.10 O ATOM 24 CB ASP A 2 -4.341 19.795 -2.528 1.00 3.20 C ATOM 25 CG ASP A 2 -3.070 20.671 -2.458 1.00 32.11 C ATOM 26 OD1 ASP A 2 -3.171 21.851 -2.052 1.00 0.12 O ATOM 27 OD2 ASP A 2 -1.966 20.190 -2.805 1.00 63.44 O ATOM 0 H ASP A 2 -4.514 21.399 -0.356 1.00 64.31 H new ATOM 0 HA ASP A 2 -5.920 18.955 -1.330 1.00 31.21 H new ATOM 0 HB2 ASP A 2 -4.088 18.845 -2.998 1.00 3.20 H new ATOM 0 HB3 ASP A 2 -5.071 20.285 -3.173 1.00 3.20 H new ATOM 32 N GLU A 3 -4.752 17.553 0.334 1.00 74.41 N ATOM 33 CA GLU A 3 -4.078 16.603 1.257 1.00 23.25 C ATOM 34 C GLU A 3 -3.645 15.333 0.492 1.00 53.22 C ATOM 35 O GLU A 3 -4.408 14.798 -0.320 1.00 14.22 O ATOM 36 CB GLU A 3 -5.018 16.218 2.445 1.00 25.11 C ATOM 37 CG GLU A 3 -5.277 17.339 3.493 1.00 22.21 C ATOM 38 CD GLU A 3 -6.044 18.559 2.949 1.00 32.14 C ATOM 39 OE1 GLU A 3 -7.233 18.413 2.617 1.00 41.32 O ATOM 40 OE2 GLU A 3 -5.464 19.664 2.842 1.00 25.42 O ATOM 0 H GLU A 3 -5.733 17.331 0.164 1.00 74.41 H new ATOM 0 HA GLU A 3 -3.194 17.093 1.664 1.00 23.25 H new ATOM 0 HB2 GLU A 3 -5.977 15.900 2.037 1.00 25.11 H new ATOM 0 HB3 GLU A 3 -4.589 15.358 2.959 1.00 25.11 H new ATOM 0 HG2 GLU A 3 -5.837 16.916 4.327 1.00 22.21 H new ATOM 0 HG3 GLU A 3 -4.319 17.676 3.890 1.00 22.21 H new ATOM 47 N ASP A 4 -2.434 14.834 0.786 1.00 33.43 N ATOM 48 CA ASP A 4 -1.851 13.663 0.092 1.00 1.25 C ATOM 49 C ASP A 4 -1.702 12.434 1.028 1.00 35.21 C ATOM 50 O ASP A 4 -1.494 12.568 2.240 1.00 23.32 O ATOM 51 CB ASP A 4 -0.490 14.052 -0.547 1.00 0.23 C ATOM 52 CG ASP A 4 0.569 14.519 0.468 1.00 65.02 C ATOM 53 OD1 ASP A 4 0.471 15.666 0.956 1.00 35.01 O ATOM 54 OD2 ASP A 4 1.507 13.751 0.772 1.00 22.24 O ATOM 0 H ASP A 4 -1.829 15.226 1.508 1.00 33.43 H new ATOM 0 HA ASP A 4 -2.542 13.365 -0.697 1.00 1.25 H new ATOM 0 HB2 ASP A 4 -0.100 13.194 -1.095 1.00 0.23 H new ATOM 0 HB3 ASP A 4 -0.656 14.847 -1.275 1.00 0.23 H new ATOM 59 N ALA A 5 -1.823 11.237 0.424 1.00 4.52 N ATOM 60 CA ALA A 5 -1.650 9.936 1.098 1.00 32.13 C ATOM 61 C ALA A 5 -0.406 9.207 0.535 1.00 64.21 C ATOM 62 O ALA A 5 -0.198 9.174 -0.685 1.00 10.52 O ATOM 63 CB ALA A 5 -2.919 9.084 0.922 1.00 42.51 C ATOM 0 H ALA A 5 -2.048 11.145 -0.567 1.00 4.52 H new ATOM 0 HA ALA A 5 -1.492 10.099 2.164 1.00 32.13 H new ATOM 0 HB1 ALA A 5 -2.785 8.125 1.422 1.00 42.51 H new ATOM 0 HB2 ALA A 5 -3.771 9.605 1.359 1.00 42.51 H new ATOM 0 HB3 ALA A 5 -3.101 8.918 -0.140 1.00 42.51 H new ATOM 69 N THR A 6 0.408 8.626 1.432 1.00 33.40 N ATOM 70 CA THR A 6 1.695 7.979 1.073 1.00 71.12 C ATOM 71 C THR A 6 1.621 6.446 1.269 1.00 54.30 C ATOM 72 O THR A 6 1.255 5.966 2.343 1.00 45.12 O ATOM 73 CB THR A 6 2.873 8.569 1.924 1.00 34.23 C ATOM 74 OG1 THR A 6 2.570 8.453 3.328 1.00 44.31 O ATOM 75 CG2 THR A 6 3.145 10.050 1.581 1.00 24.33 C ATOM 0 H THR A 6 0.198 8.588 2.429 1.00 33.40 H new ATOM 0 HA THR A 6 1.884 8.186 0.020 1.00 71.12 H new ATOM 0 HB THR A 6 3.769 7.996 1.685 1.00 34.23 H new ATOM 0 HG1 THR A 6 3.310 8.822 3.854 1.00 44.31 H new ATOM 0 HG21 THR A 6 3.968 10.420 2.193 1.00 24.33 H new ATOM 0 HG22 THR A 6 3.409 10.137 0.527 1.00 24.33 H new ATOM 0 HG23 THR A 6 2.251 10.640 1.781 1.00 24.33 H new ATOM 83 N ILE A 7 1.970 5.686 0.212 1.00 3.21 N ATOM 84 CA ILE A 7 1.945 4.202 0.219 1.00 32.12 C ATOM 85 C ILE A 7 3.389 3.650 0.174 1.00 14.24 C ATOM 86 O ILE A 7 4.134 3.958 -0.751 1.00 32.11 O ATOM 87 CB ILE A 7 1.128 3.592 -1.002 1.00 71.50 C ATOM 88 CG1 ILE A 7 -0.374 4.047 -1.008 1.00 0.02 C ATOM 89 CG2 ILE A 7 1.208 2.037 -1.009 1.00 42.34 C ATOM 90 CD1 ILE A 7 -0.650 5.470 -1.479 1.00 32.13 C ATOM 0 H ILE A 7 2.279 6.082 -0.676 1.00 3.21 H new ATOM 0 HA ILE A 7 1.443 3.904 1.140 1.00 32.12 H new ATOM 0 HB ILE A 7 1.595 3.980 -1.907 1.00 71.50 H new ATOM 0 HG12 ILE A 7 -0.936 3.362 -1.643 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -0.767 3.940 0.003 1.00 0.02 H new ATOM 0 HG21 ILE A 7 0.641 1.647 -1.854 1.00 42.34 H new ATOM 0 HG22 ILE A 7 2.249 1.727 -1.097 1.00 42.34 H new ATOM 0 HG23 ILE A 7 0.790 1.647 -0.081 1.00 42.34 H new ATOM 0 HD11 ILE A 7 -1.722 5.665 -1.438 1.00 32.13 H new ATOM 0 HD12 ILE A 7 -0.128 6.175 -0.832 1.00 32.13 H new ATOM 0 HD13 ILE A 7 -0.299 5.589 -2.504 1.00 32.13 H new ATOM 102 N THR A 8 3.768 2.818 1.157 1.00 24.13 N ATOM 103 CA THR A 8 5.116 2.199 1.220 1.00 72.11 C ATOM 104 C THR A 8 5.007 0.656 1.222 1.00 33.12 C ATOM 105 O THR A 8 4.448 0.062 2.152 1.00 25.33 O ATOM 106 CB THR A 8 5.905 2.676 2.495 1.00 43.10 C ATOM 107 OG1 THR A 8 5.974 4.116 2.512 1.00 65.21 O ATOM 108 CG2 THR A 8 7.341 2.103 2.558 1.00 61.42 C ATOM 0 H THR A 8 3.158 2.552 1.930 1.00 24.13 H new ATOM 0 HA THR A 8 5.665 2.518 0.334 1.00 72.11 H new ATOM 0 HB THR A 8 5.361 2.303 3.363 1.00 43.10 H new ATOM 0 HG1 THR A 8 6.464 4.411 3.308 1.00 65.21 H new ATOM 0 HG21 THR A 8 7.838 2.465 3.458 1.00 61.42 H new ATOM 0 HG22 THR A 8 7.298 1.014 2.581 1.00 61.42 H new ATOM 0 HG23 THR A 8 7.900 2.426 1.680 1.00 61.42 H new ATOM 116 N TYR A 9 5.529 0.011 0.160 1.00 43.23 N ATOM 117 CA TYR A 9 5.676 -1.463 0.104 1.00 3.12 C ATOM 118 C TYR A 9 6.873 -1.908 0.977 1.00 30.31 C ATOM 119 O TYR A 9 7.936 -1.288 0.932 1.00 43.24 O ATOM 120 CB TYR A 9 5.869 -1.940 -1.361 1.00 4.02 C ATOM 121 CG TYR A 9 4.613 -1.798 -2.246 1.00 34.05 C ATOM 122 CD1 TYR A 9 4.210 -0.554 -2.756 1.00 33.13 C ATOM 123 CD2 TYR A 9 3.831 -2.910 -2.571 1.00 41.44 C ATOM 124 CE1 TYR A 9 3.080 -0.437 -3.542 1.00 21.22 C ATOM 125 CE2 TYR A 9 2.703 -2.797 -3.357 1.00 73.43 C ATOM 126 CZ TYR A 9 2.332 -1.558 -3.841 1.00 44.05 C ATOM 127 OH TYR A 9 1.205 -1.441 -4.618 1.00 13.21 O ATOM 0 H TYR A 9 5.859 0.489 -0.678 1.00 43.23 H new ATOM 0 HA TYR A 9 4.765 -1.918 0.493 1.00 3.12 H new ATOM 0 HB2 TYR A 9 6.683 -1.372 -1.812 1.00 4.02 H new ATOM 0 HB3 TYR A 9 6.177 -2.986 -1.353 1.00 4.02 H new ATOM 0 HD1 TYR A 9 4.793 0.327 -2.530 1.00 33.13 H new ATOM 0 HD2 TYR A 9 4.117 -3.882 -2.197 1.00 41.44 H new ATOM 0 HE1 TYR A 9 2.782 0.529 -3.922 1.00 21.22 H new ATOM 0 HE2 TYR A 9 2.114 -3.671 -3.592 1.00 73.43 H new ATOM 0 HH TYR A 9 1.096 -0.508 -4.898 1.00 13.21 H new ATOM 137 N VAL A 10 6.687 -2.973 1.779 1.00 71.21 N ATOM 138 CA VAL A 10 7.724 -3.484 2.715 1.00 10.44 C ATOM 139 C VAL A 10 7.901 -5.018 2.571 1.00 50.51 C ATOM 140 O VAL A 10 6.953 -5.728 2.218 1.00 34.21 O ATOM 141 CB VAL A 10 7.377 -3.122 4.211 1.00 63.42 C ATOM 142 CG1 VAL A 10 7.381 -1.589 4.441 1.00 42.14 C ATOM 143 CG2 VAL A 10 6.031 -3.750 4.652 1.00 53.01 C ATOM 0 H VAL A 10 5.818 -3.507 1.802 1.00 71.21 H new ATOM 0 HA VAL A 10 8.663 -2.997 2.451 1.00 10.44 H new ATOM 0 HB VAL A 10 8.160 -3.551 4.836 1.00 63.42 H new ATOM 0 HG11 VAL A 10 7.138 -1.377 5.482 1.00 42.14 H new ATOM 0 HG12 VAL A 10 8.368 -1.189 4.210 1.00 42.14 H new ATOM 0 HG13 VAL A 10 6.640 -1.122 3.793 1.00 42.14 H new ATOM 0 HG21 VAL A 10 5.825 -3.479 5.688 1.00 53.01 H new ATOM 0 HG22 VAL A 10 5.230 -3.378 4.014 1.00 53.01 H new ATOM 0 HG23 VAL A 10 6.090 -4.835 4.566 1.00 53.01 H new ATOM 153 N ASP A 11 9.128 -5.522 2.840 1.00 54.31 N ATOM 154 CA ASP A 11 9.451 -6.965 2.756 1.00 41.33 C ATOM 155 C ASP A 11 9.578 -7.574 4.169 1.00 75.35 C ATOM 156 O ASP A 11 10.525 -7.266 4.904 1.00 71.24 O ATOM 157 CB ASP A 11 10.758 -7.195 1.955 1.00 55.34 C ATOM 158 CG ASP A 11 11.010 -8.685 1.664 1.00 54.33 C ATOM 159 OD1 ASP A 11 10.351 -9.241 0.758 1.00 15.50 O ATOM 160 OD2 ASP A 11 11.853 -9.315 2.346 1.00 65.33 O ATOM 0 H ASP A 11 9.919 -4.942 3.120 1.00 54.31 H new ATOM 0 HA ASP A 11 8.635 -7.462 2.231 1.00 41.33 H new ATOM 0 HB2 ASP A 11 10.706 -6.647 1.014 1.00 55.34 H new ATOM 0 HB3 ASP A 11 11.601 -6.789 2.514 1.00 55.34 H new ATOM 165 N ASP A 12 8.624 -8.449 4.516 1.00 31.34 N ATOM 166 CA ASP A 12 8.517 -9.102 5.841 1.00 72.11 C ATOM 167 C ASP A 12 9.730 -10.018 6.180 1.00 32.51 C ATOM 168 O ASP A 12 10.013 -10.253 7.361 1.00 2.54 O ATOM 169 CB ASP A 12 7.198 -9.914 5.889 1.00 4.52 C ATOM 170 CG ASP A 12 5.942 -9.034 5.762 1.00 3.41 C ATOM 171 OD1 ASP A 12 5.736 -8.429 4.693 1.00 52.54 O ATOM 172 OD2 ASP A 12 5.158 -8.940 6.732 1.00 41.03 O ATOM 0 H ASP A 12 7.885 -8.733 3.873 1.00 31.34 H new ATOM 0 HA ASP A 12 8.517 -8.317 6.597 1.00 72.11 H new ATOM 0 HB2 ASP A 12 7.202 -10.650 5.085 1.00 4.52 H new ATOM 0 HB3 ASP A 12 7.153 -10.468 6.827 1.00 4.52 H new ATOM 177 N ASP A 13 10.433 -10.533 5.149 1.00 20.34 N ATOM 178 CA ASP A 13 11.627 -11.400 5.340 1.00 70.52 C ATOM 179 C ASP A 13 12.935 -10.578 5.498 1.00 42.40 C ATOM 180 O ASP A 13 14.004 -11.150 5.751 1.00 23.25 O ATOM 181 CB ASP A 13 11.764 -12.399 4.161 1.00 35.03 C ATOM 182 CG ASP A 13 10.596 -13.397 4.063 1.00 61.05 C ATOM 183 OD1 ASP A 13 10.259 -14.041 5.087 1.00 5.12 O ATOM 184 OD2 ASP A 13 10.050 -13.585 2.960 1.00 50.44 O ATOM 0 H ASP A 13 10.197 -10.366 4.171 1.00 20.34 H new ATOM 0 HA ASP A 13 11.476 -11.952 6.268 1.00 70.52 H new ATOM 0 HB2 ASP A 13 11.833 -11.840 3.228 1.00 35.03 H new ATOM 0 HB3 ASP A 13 12.696 -12.953 4.271 1.00 35.03 H new ATOM 189 N LYS A 14 12.840 -9.241 5.367 1.00 62.34 N ATOM 190 CA LYS A 14 13.995 -8.321 5.497 1.00 11.45 C ATOM 191 C LYS A 14 13.714 -7.244 6.587 1.00 13.25 C ATOM 192 O LYS A 14 14.326 -6.172 6.600 1.00 44.55 O ATOM 193 CB LYS A 14 14.287 -7.684 4.097 1.00 63.22 C ATOM 194 CG LYS A 14 15.699 -7.060 3.925 1.00 2.00 C ATOM 195 CD LYS A 14 16.849 -8.081 4.136 1.00 1.21 C ATOM 196 CE LYS A 14 16.775 -9.290 3.182 1.00 22.40 C ATOM 197 NZ LYS A 14 17.897 -10.238 3.406 1.00 62.43 N ATOM 0 H LYS A 14 11.961 -8.764 5.168 1.00 62.34 H new ATOM 0 HA LYS A 14 14.881 -8.868 5.820 1.00 11.45 H new ATOM 0 HB2 LYS A 14 14.153 -8.451 3.334 1.00 63.22 H new ATOM 0 HB3 LYS A 14 13.542 -6.911 3.907 1.00 63.22 H new ATOM 0 HG2 LYS A 14 15.781 -6.632 2.926 1.00 2.00 H new ATOM 0 HG3 LYS A 14 15.815 -6.240 4.634 1.00 2.00 H new ATOM 0 HD2 LYS A 14 17.804 -7.575 3.997 1.00 1.21 H new ATOM 0 HD3 LYS A 14 16.824 -8.438 5.166 1.00 1.21 H new ATOM 0 HE2 LYS A 14 15.827 -9.808 3.325 1.00 22.40 H new ATOM 0 HE3 LYS A 14 16.795 -8.940 2.150 1.00 22.40 H new ATOM 0 HZ1 LYS A 14 17.813 -11.037 2.746 1.00 62.43 H new ATOM 0 HZ2 LYS A 14 18.801 -9.750 3.245 1.00 62.43 H new ATOM 0 HZ3 LYS A 14 17.863 -10.591 4.384 1.00 62.43 H new ATOM 211 N GLY A 15 12.802 -7.574 7.527 1.00 24.32 N ATOM 212 CA GLY A 15 12.432 -6.663 8.628 1.00 72.21 C ATOM 213 C GLY A 15 11.656 -5.417 8.180 1.00 62.31 C ATOM 214 O GLY A 15 11.810 -4.340 8.761 1.00 51.13 O ATOM 0 H GLY A 15 12.309 -8.467 7.544 1.00 24.32 H new ATOM 0 HA2 GLY A 15 11.829 -7.212 9.352 1.00 72.21 H new ATOM 0 HA3 GLY A 15 13.339 -6.347 9.143 1.00 72.21 H new ATOM 218 N GLY A 16 10.807 -5.584 7.152 1.00 43.21 N ATOM 219 CA GLY A 16 9.992 -4.489 6.607 1.00 22.33 C ATOM 220 C GLY A 16 10.782 -3.467 5.767 1.00 32.33 C ATOM 221 O GLY A 16 10.542 -2.257 5.875 1.00 74.22 O ATOM 0 H GLY A 16 10.668 -6.477 6.679 1.00 43.21 H new ATOM 0 HA2 GLY A 16 9.200 -4.914 5.990 1.00 22.33 H new ATOM 0 HA3 GLY A 16 9.508 -3.967 7.432 1.00 22.33 H new ATOM 225 N ALA A 17 11.728 -3.947 4.931 1.00 70.21 N ATOM 226 CA ALA A 17 12.527 -3.069 4.030 1.00 74.10 C ATOM 227 C ALA A 17 11.746 -2.720 2.736 1.00 41.10 C ATOM 228 O ALA A 17 11.011 -3.555 2.220 1.00 73.32 O ATOM 229 CB ALA A 17 13.867 -3.743 3.692 1.00 5.32 C ATOM 0 H ALA A 17 11.962 -4.937 4.857 1.00 70.21 H new ATOM 0 HA ALA A 17 12.723 -2.133 4.554 1.00 74.10 H new ATOM 0 HB1 ALA A 17 14.444 -3.095 3.033 1.00 5.32 H new ATOM 0 HB2 ALA A 17 14.427 -3.919 4.610 1.00 5.32 H new ATOM 0 HB3 ALA A 17 13.680 -4.694 3.193 1.00 5.32 H new ATOM 235 N GLN A 18 11.945 -1.494 2.208 1.00 43.45 N ATOM 236 CA GLN A 18 11.158 -0.967 1.059 1.00 64.31 C ATOM 237 C GLN A 18 11.310 -1.828 -0.233 1.00 41.12 C ATOM 238 O GLN A 18 12.424 -2.049 -0.725 1.00 55.42 O ATOM 239 CB GLN A 18 11.553 0.508 0.759 1.00 62.42 C ATOM 240 CG GLN A 18 10.748 1.165 -0.396 1.00 42.24 C ATOM 241 CD GLN A 18 11.190 2.597 -0.725 1.00 54.24 C ATOM 242 OE1 GLN A 18 11.651 3.340 0.138 1.00 34.00 O ATOM 243 NE2 GLN A 18 11.043 3.001 -1.972 1.00 5.14 N ATOM 0 H GLN A 18 12.647 -0.842 2.558 1.00 43.45 H new ATOM 0 HA GLN A 18 10.110 -1.017 1.356 1.00 64.31 H new ATOM 0 HB2 GLN A 18 11.415 1.100 1.664 1.00 62.42 H new ATOM 0 HB3 GLN A 18 12.614 0.544 0.513 1.00 62.42 H new ATOM 0 HG2 GLN A 18 10.847 0.550 -1.290 1.00 42.24 H new ATOM 0 HG3 GLN A 18 9.691 1.173 -0.130 1.00 42.24 H new ATOM 0 HE21 GLN A 18 10.658 2.366 -2.672 1.00 5.14 H new ATOM 0 HE22 GLN A 18 11.314 3.948 -2.237 1.00 5.14 H new ATOM 252 N VAL A 19 10.168 -2.308 -0.762 1.00 63.51 N ATOM 253 CA VAL A 19 10.099 -3.033 -2.048 1.00 24.25 C ATOM 254 C VAL A 19 9.778 -2.028 -3.185 1.00 14.11 C ATOM 255 O VAL A 19 8.642 -1.538 -3.297 1.00 15.35 O ATOM 256 CB VAL A 19 9.013 -4.182 -2.026 1.00 60.15 C ATOM 257 CG1 VAL A 19 8.991 -4.978 -3.358 1.00 64.55 C ATOM 258 CG2 VAL A 19 9.221 -5.130 -0.823 1.00 12.22 C ATOM 0 H VAL A 19 9.261 -2.204 -0.307 1.00 63.51 H new ATOM 0 HA VAL A 19 11.067 -3.504 -2.221 1.00 24.25 H new ATOM 0 HB VAL A 19 8.041 -3.701 -1.913 1.00 60.15 H new ATOM 0 HG11 VAL A 19 8.232 -5.758 -3.303 1.00 64.55 H new ATOM 0 HG12 VAL A 19 8.759 -4.303 -4.182 1.00 64.55 H new ATOM 0 HG13 VAL A 19 9.967 -5.433 -3.526 1.00 64.55 H new ATOM 0 HG21 VAL A 19 8.458 -5.908 -0.837 1.00 12.22 H new ATOM 0 HG22 VAL A 19 10.208 -5.588 -0.887 1.00 12.22 H new ATOM 0 HG23 VAL A 19 9.144 -4.563 0.105 1.00 12.22 H new ATOM 268 N GLY A 20 10.796 -1.716 -4.003 1.00 72.42 N ATOM 269 CA GLY A 20 10.649 -0.801 -5.136 1.00 61.54 C ATOM 270 C GLY A 20 10.408 0.666 -4.750 1.00 53.43 C ATOM 271 O GLY A 20 11.353 1.398 -4.438 1.00 10.32 O ATOM 0 H GLY A 20 11.738 -2.091 -3.895 1.00 72.42 H new ATOM 0 HA2 GLY A 20 11.548 -0.858 -5.750 1.00 61.54 H new ATOM 0 HA3 GLY A 20 9.818 -1.141 -5.754 1.00 61.54 H new ATOM 275 N ASP A 21 9.124 1.086 -4.743 1.00 3.45 N ATOM 276 CA ASP A 21 8.734 2.525 -4.736 1.00 34.50 C ATOM 277 C ASP A 21 7.819 2.908 -3.544 1.00 11.31 C ATOM 278 O ASP A 21 7.173 2.051 -2.926 1.00 12.15 O ATOM 279 CB ASP A 21 7.991 2.854 -6.064 1.00 23.34 C ATOM 280 CG ASP A 21 8.768 2.402 -7.311 1.00 35.40 C ATOM 281 OD1 ASP A 21 8.591 1.239 -7.745 1.00 64.03 O ATOM 282 OD2 ASP A 21 9.558 3.200 -7.863 1.00 72.40 O ATOM 0 H ASP A 21 8.329 0.447 -4.742 1.00 3.45 H new ATOM 0 HA ASP A 21 9.653 3.103 -4.635 1.00 34.50 H new ATOM 0 HB2 ASP A 21 7.013 2.372 -6.057 1.00 23.34 H new ATOM 0 HB3 ASP A 21 7.816 3.928 -6.120 1.00 23.34 H new ATOM 287 N ILE A 22 7.793 4.225 -3.237 1.00 43.35 N ATOM 288 CA ILE A 22 6.754 4.859 -2.389 1.00 4.43 C ATOM 289 C ILE A 22 5.818 5.697 -3.299 1.00 61.55 C ATOM 290 O ILE A 22 6.280 6.580 -4.031 1.00 41.24 O ATOM 291 CB ILE A 22 7.369 5.780 -1.258 1.00 50.11 C ATOM 292 CG1 ILE A 22 8.329 4.955 -0.341 1.00 64.25 C ATOM 293 CG2 ILE A 22 6.257 6.470 -0.413 1.00 13.11 C ATOM 294 CD1 ILE A 22 9.043 5.766 0.735 1.00 54.13 C ATOM 0 H ILE A 22 8.496 4.883 -3.572 1.00 43.35 H new ATOM 0 HA ILE A 22 6.201 4.068 -1.883 1.00 4.43 H new ATOM 0 HB ILE A 22 7.945 6.566 -1.747 1.00 50.11 H new ATOM 0 HG12 ILE A 22 7.756 4.163 0.142 1.00 64.25 H new ATOM 0 HG13 ILE A 22 9.078 4.470 -0.967 1.00 64.25 H new ATOM 0 HG21 ILE A 22 6.717 7.094 0.353 1.00 13.11 H new ATOM 0 HG22 ILE A 22 5.638 7.089 -1.062 1.00 13.11 H new ATOM 0 HG23 ILE A 22 5.637 5.710 0.062 1.00 13.11 H new ATOM 0 HD11 ILE A 22 9.686 5.108 1.320 1.00 54.13 H new ATOM 0 HD12 ILE A 22 9.648 6.541 0.265 1.00 54.13 H new ATOM 0 HD13 ILE A 22 8.306 6.230 1.391 1.00 54.13 H new ATOM 306 N VAL A 23 4.509 5.407 -3.256 1.00 21.44 N ATOM 307 CA VAL A 23 3.496 6.057 -4.117 1.00 64.31 C ATOM 308 C VAL A 23 2.788 7.202 -3.352 1.00 63.05 C ATOM 309 O VAL A 23 2.017 6.948 -2.428 1.00 42.43 O ATOM 310 CB VAL A 23 2.441 4.996 -4.617 1.00 2.53 C ATOM 311 CG1 VAL A 23 1.367 5.626 -5.544 1.00 44.21 C ATOM 312 CG2 VAL A 23 3.151 3.807 -5.310 1.00 65.13 C ATOM 0 H VAL A 23 4.116 4.712 -2.621 1.00 21.44 H new ATOM 0 HA VAL A 23 4.001 6.483 -4.984 1.00 64.31 H new ATOM 0 HB VAL A 23 1.916 4.621 -3.739 1.00 2.53 H new ATOM 0 HG11 VAL A 23 0.664 4.856 -5.862 1.00 44.21 H new ATOM 0 HG12 VAL A 23 0.831 6.406 -5.003 1.00 44.21 H new ATOM 0 HG13 VAL A 23 1.851 6.059 -6.419 1.00 44.21 H new ATOM 0 HG21 VAL A 23 2.407 3.086 -5.648 1.00 65.13 H new ATOM 0 HG22 VAL A 23 3.719 4.171 -6.166 1.00 65.13 H new ATOM 0 HG23 VAL A 23 3.828 3.326 -4.604 1.00 65.13 H new ATOM 322 N THR A 24 3.079 8.461 -3.723 1.00 71.01 N ATOM 323 CA THR A 24 2.413 9.648 -3.129 1.00 62.04 C ATOM 324 C THR A 24 1.274 10.122 -4.054 1.00 54.15 C ATOM 325 O THR A 24 1.528 10.691 -5.123 1.00 53.15 O ATOM 326 CB THR A 24 3.407 10.838 -2.904 1.00 11.32 C ATOM 327 OG1 THR A 24 4.588 10.381 -2.216 1.00 40.12 O ATOM 328 CG2 THR A 24 2.768 11.987 -2.094 1.00 70.34 C ATOM 0 H THR A 24 3.773 8.690 -4.434 1.00 71.01 H new ATOM 0 HA THR A 24 2.023 9.344 -2.158 1.00 62.04 H new ATOM 0 HB THR A 24 3.670 11.220 -3.890 1.00 11.32 H new ATOM 0 HG1 THR A 24 5.201 11.134 -2.083 1.00 40.12 H new ATOM 0 HG21 THR A 24 3.495 12.789 -1.964 1.00 70.34 H new ATOM 0 HG22 THR A 24 1.898 12.369 -2.629 1.00 70.34 H new ATOM 0 HG23 THR A 24 2.459 11.615 -1.117 1.00 70.34 H new ATOM 336 N VAL A 25 0.023 9.870 -3.650 1.00 15.23 N ATOM 337 CA VAL A 25 -1.175 10.334 -4.388 1.00 14.34 C ATOM 338 C VAL A 25 -1.812 11.546 -3.662 1.00 30.14 C ATOM 339 O VAL A 25 -1.854 11.573 -2.437 1.00 45.31 O ATOM 340 CB VAL A 25 -2.224 9.162 -4.575 1.00 12.23 C ATOM 341 CG1 VAL A 25 -1.682 8.079 -5.543 1.00 34.45 C ATOM 342 CG2 VAL A 25 -2.619 8.523 -3.216 1.00 11.33 C ATOM 0 H VAL A 25 -0.195 9.341 -2.806 1.00 15.23 H new ATOM 0 HA VAL A 25 -0.865 10.652 -5.383 1.00 14.34 H new ATOM 0 HB VAL A 25 -3.121 9.600 -5.012 1.00 12.23 H new ATOM 0 HG11 VAL A 25 -2.422 7.286 -5.653 1.00 34.45 H new ATOM 0 HG12 VAL A 25 -1.483 8.528 -6.516 1.00 34.45 H new ATOM 0 HG13 VAL A 25 -0.759 7.660 -5.141 1.00 34.45 H new ATOM 0 HG21 VAL A 25 -3.340 7.723 -3.386 1.00 11.33 H new ATOM 0 HG22 VAL A 25 -1.731 8.114 -2.734 1.00 11.33 H new ATOM 0 HG23 VAL A 25 -3.064 9.282 -2.573 1.00 11.33 H new ATOM 352 N THR A 26 -2.306 12.555 -4.416 1.00 34.32 N ATOM 353 CA THR A 26 -2.816 13.825 -3.815 1.00 64.12 C ATOM 354 C THR A 26 -4.294 14.093 -4.198 1.00 45.04 C ATOM 355 O THR A 26 -4.682 13.946 -5.362 1.00 42.21 O ATOM 356 CB THR A 26 -1.930 15.055 -4.236 1.00 5.15 C ATOM 357 OG1 THR A 26 -0.541 14.750 -4.024 1.00 53.32 O ATOM 358 CG2 THR A 26 -2.277 16.334 -3.439 1.00 3.11 C ATOM 0 H THR A 26 -2.365 12.523 -5.434 1.00 34.32 H new ATOM 0 HA THR A 26 -2.758 13.701 -2.734 1.00 64.12 H new ATOM 0 HB THR A 26 -2.132 15.244 -5.290 1.00 5.15 H new ATOM 0 HG1 THR A 26 0.007 15.518 -4.289 1.00 53.32 H new ATOM 0 HG21 THR A 26 -1.637 17.153 -3.768 1.00 3.11 H new ATOM 0 HG22 THR A 26 -3.321 16.598 -3.611 1.00 3.11 H new ATOM 0 HG23 THR A 26 -2.118 16.154 -2.376 1.00 3.11 H new ATOM 366 N GLY A 27 -5.099 14.489 -3.195 1.00 52.42 N ATOM 367 CA GLY A 27 -6.511 14.847 -3.383 1.00 31.31 C ATOM 368 C GLY A 27 -6.978 15.828 -2.306 1.00 64.31 C ATOM 369 O GLY A 27 -6.541 16.978 -2.292 1.00 54.00 O ATOM 0 H GLY A 27 -4.784 14.569 -2.228 1.00 52.42 H new ATOM 0 HA2 GLY A 27 -6.649 15.292 -4.369 1.00 31.31 H new ATOM 0 HA3 GLY A 27 -7.125 13.947 -3.351 1.00 31.31 H new ATOM 373 N LYS A 28 -7.854 15.371 -1.392 1.00 41.41 N ATOM 374 CA LYS A 28 -8.285 16.163 -0.209 1.00 74.33 C ATOM 375 C LYS A 28 -8.766 15.222 0.914 1.00 64.41 C ATOM 376 O LYS A 28 -9.250 14.130 0.625 1.00 63.50 O ATOM 377 CB LYS A 28 -9.410 17.177 -0.580 1.00 10.51 C ATOM 378 CG LYS A 28 -9.758 18.159 0.560 1.00 72.40 C ATOM 379 CD LYS A 28 -10.781 19.251 0.172 1.00 42.14 C ATOM 380 CE LYS A 28 -10.892 20.338 1.260 1.00 34.20 C ATOM 381 NZ LYS A 28 -11.875 21.388 0.899 1.00 33.42 N ATOM 0 H LYS A 28 -8.285 14.448 -1.446 1.00 41.41 H new ATOM 0 HA LYS A 28 -7.425 16.732 0.144 1.00 74.33 H new ATOM 0 HB2 LYS A 28 -9.100 17.746 -1.456 1.00 10.51 H new ATOM 0 HB3 LYS A 28 -10.307 16.625 -0.859 1.00 10.51 H new ATOM 0 HG2 LYS A 28 -10.152 17.592 1.404 1.00 72.40 H new ATOM 0 HG3 LYS A 28 -8.842 18.641 0.900 1.00 72.40 H new ATOM 0 HD2 LYS A 28 -10.485 19.709 -0.772 1.00 42.14 H new ATOM 0 HD3 LYS A 28 -11.758 18.795 0.012 1.00 42.14 H new ATOM 0 HE2 LYS A 28 -11.184 19.878 2.204 1.00 34.20 H new ATOM 0 HE3 LYS A 28 -9.915 20.795 1.417 1.00 34.20 H new ATOM 0 HZ1 LYS A 28 -11.918 22.098 1.657 1.00 33.42 H new ATOM 0 HZ2 LYS A 28 -11.584 21.846 0.012 1.00 33.42 H new ATOM 0 HZ3 LYS A 28 -12.813 20.957 0.774 1.00 33.42 H new ATOM 395 N THR A 29 -8.634 15.655 2.189 1.00 51.55 N ATOM 396 CA THR A 29 -9.060 14.858 3.374 1.00 11.41 C ATOM 397 C THR A 29 -10.573 14.480 3.353 1.00 2.14 C ATOM 398 O THR A 29 -10.989 13.502 3.984 1.00 2.45 O ATOM 399 CB THR A 29 -8.708 15.589 4.718 1.00 41.42 C ATOM 400 OG1 THR A 29 -9.008 14.752 5.855 1.00 50.13 O ATOM 401 CG2 THR A 29 -9.448 16.926 4.859 1.00 62.10 C ATOM 0 H THR A 29 -8.232 16.561 2.430 1.00 51.55 H new ATOM 0 HA THR A 29 -8.495 13.927 3.316 1.00 11.41 H new ATOM 0 HB THR A 29 -7.638 15.793 4.690 1.00 41.42 H new ATOM 0 HG1 THR A 29 -8.779 15.228 6.681 1.00 50.13 H new ATOM 0 HG21 THR A 29 -9.174 17.396 5.803 1.00 62.10 H new ATOM 0 HG22 THR A 29 -9.173 17.583 4.034 1.00 62.10 H new ATOM 0 HG23 THR A 29 -10.524 16.750 4.840 1.00 62.10 H new ATOM 409 N ASP A 30 -11.377 15.279 2.630 1.00 34.01 N ATOM 410 CA ASP A 30 -12.805 14.993 2.366 1.00 12.44 C ATOM 411 C ASP A 30 -12.960 13.857 1.323 1.00 54.21 C ATOM 412 O ASP A 30 -13.880 13.034 1.406 1.00 60.41 O ATOM 413 CB ASP A 30 -13.498 16.277 1.840 1.00 55.43 C ATOM 414 CG ASP A 30 -13.468 17.441 2.842 1.00 34.15 C ATOM 415 OD1 ASP A 30 -12.368 17.945 3.149 1.00 71.23 O ATOM 416 OD2 ASP A 30 -14.539 17.863 3.323 1.00 40.32 O ATOM 0 H ASP A 30 -11.055 16.150 2.207 1.00 34.01 H new ATOM 0 HA ASP A 30 -13.272 14.671 3.297 1.00 12.44 H new ATOM 0 HB2 ASP A 30 -13.012 16.590 0.916 1.00 55.43 H new ATOM 0 HB3 ASP A 30 -14.534 16.046 1.593 1.00 55.43 H new ATOM 421 N ASP A 31 -12.052 13.848 0.332 1.00 2.11 N ATOM 422 CA ASP A 31 -12.073 12.899 -0.801 1.00 33.12 C ATOM 423 C ASP A 31 -11.356 11.558 -0.459 1.00 42.24 C ATOM 424 O ASP A 31 -10.526 11.477 0.453 1.00 33.42 O ATOM 425 CB ASP A 31 -11.418 13.578 -2.038 1.00 54.41 C ATOM 426 CG ASP A 31 -11.519 12.739 -3.323 1.00 42.43 C ATOM 427 OD1 ASP A 31 -12.652 12.537 -3.815 1.00 72.11 O ATOM 428 OD2 ASP A 31 -10.479 12.255 -3.823 1.00 12.32 O ATOM 0 H ASP A 31 -11.273 14.506 0.292 1.00 2.11 H new ATOM 0 HA ASP A 31 -13.110 12.646 -1.022 1.00 33.12 H new ATOM 0 HB2 ASP A 31 -11.893 14.544 -2.206 1.00 54.41 H new ATOM 0 HB3 ASP A 31 -10.367 13.773 -1.822 1.00 54.41 H new ATOM 433 N SER A 32 -11.696 10.506 -1.225 1.00 21.23 N ATOM 434 CA SER A 32 -11.091 9.160 -1.095 1.00 64.43 C ATOM 435 C SER A 32 -10.699 8.591 -2.478 1.00 3.01 C ATOM 436 O SER A 32 -11.218 9.021 -3.511 1.00 53.22 O ATOM 437 CB SER A 32 -12.091 8.209 -0.394 1.00 73.04 C ATOM 438 OG SER A 32 -13.327 8.137 -1.098 1.00 32.54 O ATOM 0 H SER A 32 -12.403 10.562 -1.958 1.00 21.23 H new ATOM 0 HA SER A 32 -10.184 9.244 -0.496 1.00 64.43 H new ATOM 0 HB2 SER A 32 -11.655 7.213 -0.320 1.00 73.04 H new ATOM 0 HB3 SER A 32 -12.271 8.555 0.624 1.00 73.04 H new ATOM 0 HG SER A 32 -13.935 7.527 -0.630 1.00 32.54 H new ATOM 444 N THR A 33 -9.784 7.609 -2.481 1.00 53.03 N ATOM 445 CA THR A 33 -9.317 6.914 -3.715 1.00 72.23 C ATOM 446 C THR A 33 -9.208 5.389 -3.484 1.00 71.05 C ATOM 447 O THR A 33 -9.180 4.924 -2.342 1.00 60.00 O ATOM 448 CB THR A 33 -7.936 7.469 -4.235 1.00 34.23 C ATOM 449 OG1 THR A 33 -7.618 6.884 -5.514 1.00 20.15 O ATOM 450 CG2 THR A 33 -6.771 7.206 -3.247 1.00 24.41 C ATOM 0 H THR A 33 -9.339 7.265 -1.630 1.00 53.03 H new ATOM 0 HA THR A 33 -10.067 7.113 -4.481 1.00 72.23 H new ATOM 0 HB THR A 33 -8.048 8.549 -4.328 1.00 34.23 H new ATOM 0 HG1 THR A 33 -6.760 7.236 -5.830 1.00 20.15 H new ATOM 0 HG21 THR A 33 -5.846 7.610 -3.659 1.00 24.41 H new ATOM 0 HG22 THR A 33 -6.986 7.690 -2.294 1.00 24.41 H new ATOM 0 HG23 THR A 33 -6.660 6.133 -3.092 1.00 24.41 H new ATOM 458 N THR A 34 -9.181 4.616 -4.582 1.00 43.04 N ATOM 459 CA THR A 34 -8.975 3.147 -4.552 1.00 43.40 C ATOM 460 C THR A 34 -7.695 2.772 -5.341 1.00 0.34 C ATOM 461 O THR A 34 -7.644 2.888 -6.570 1.00 72.05 O ATOM 462 CB THR A 34 -10.217 2.390 -5.139 1.00 50.02 C ATOM 463 OG1 THR A 34 -10.461 2.809 -6.496 1.00 4.51 O ATOM 464 CG2 THR A 34 -11.489 2.634 -4.301 1.00 73.02 C ATOM 0 H THR A 34 -9.302 4.989 -5.524 1.00 43.04 H new ATOM 0 HA THR A 34 -8.855 2.842 -3.513 1.00 43.40 H new ATOM 0 HB THR A 34 -9.986 1.325 -5.111 1.00 50.02 H new ATOM 0 HG1 THR A 34 -9.618 3.091 -6.908 1.00 4.51 H new ATOM 0 HG21 THR A 34 -12.325 2.092 -4.742 1.00 73.02 H new ATOM 0 HG22 THR A 34 -11.326 2.283 -3.282 1.00 73.02 H new ATOM 0 HG23 THR A 34 -11.716 3.700 -4.286 1.00 73.02 H new ATOM 472 N TYR A 35 -6.658 2.324 -4.619 1.00 72.10 N ATOM 473 CA TYR A 35 -5.336 1.991 -5.196 1.00 23.21 C ATOM 474 C TYR A 35 -5.177 0.461 -5.366 1.00 71.23 C ATOM 475 O TYR A 35 -5.570 -0.303 -4.491 1.00 53.54 O ATOM 476 CB TYR A 35 -4.231 2.566 -4.269 1.00 5.11 C ATOM 477 CG TYR A 35 -2.787 2.214 -4.664 1.00 70.32 C ATOM 478 CD1 TYR A 35 -2.243 2.652 -5.877 1.00 63.44 C ATOM 479 CD2 TYR A 35 -1.972 1.428 -3.835 1.00 42.05 C ATOM 480 CE1 TYR A 35 -0.955 2.324 -6.243 1.00 2.00 C ATOM 481 CE2 TYR A 35 -0.684 1.097 -4.204 1.00 14.11 C ATOM 482 CZ TYR A 35 -0.179 1.546 -5.408 1.00 72.04 C ATOM 483 OH TYR A 35 1.100 1.202 -5.788 1.00 62.12 O ATOM 0 H TYR A 35 -6.708 2.180 -3.610 1.00 72.10 H new ATOM 0 HA TYR A 35 -5.247 2.436 -6.187 1.00 23.21 H new ATOM 0 HB2 TYR A 35 -4.329 3.651 -4.246 1.00 5.11 H new ATOM 0 HB3 TYR A 35 -4.409 2.208 -3.255 1.00 5.11 H new ATOM 0 HD1 TYR A 35 -2.844 3.258 -6.539 1.00 63.44 H new ATOM 0 HD2 TYR A 35 -2.360 1.076 -2.891 1.00 42.05 H new ATOM 0 HE1 TYR A 35 -0.554 2.675 -7.182 1.00 2.00 H new ATOM 0 HE2 TYR A 35 -0.073 0.489 -3.553 1.00 14.11 H new ATOM 0 HH TYR A 35 1.329 1.665 -6.621 1.00 62.12 H new ATOM 493 N THR A 36 -4.604 0.020 -6.502 1.00 15.42 N ATOM 494 CA THR A 36 -4.330 -1.419 -6.751 1.00 44.12 C ATOM 495 C THR A 36 -2.958 -1.847 -6.169 1.00 54.10 C ATOM 496 O THR A 36 -1.966 -1.117 -6.273 1.00 62.14 O ATOM 497 CB THR A 36 -4.395 -1.782 -8.278 1.00 62.03 C ATOM 498 OG1 THR A 36 -4.113 -3.184 -8.474 1.00 24.51 O ATOM 499 CG2 THR A 36 -3.425 -0.948 -9.137 1.00 31.53 C ATOM 0 H THR A 36 -4.320 0.635 -7.265 1.00 15.42 H new ATOM 0 HA THR A 36 -5.118 -1.971 -6.238 1.00 44.12 H new ATOM 0 HB THR A 36 -5.409 -1.549 -8.604 1.00 62.03 H new ATOM 0 HG1 THR A 36 -4.159 -3.396 -9.430 1.00 24.51 H new ATOM 0 HG21 THR A 36 -3.517 -1.245 -10.182 1.00 31.53 H new ATOM 0 HG22 THR A 36 -3.669 0.110 -9.038 1.00 31.53 H new ATOM 0 HG23 THR A 36 -2.402 -1.118 -8.800 1.00 31.53 H new ATOM 507 N VAL A 37 -2.918 -3.039 -5.548 1.00 21.21 N ATOM 508 CA VAL A 37 -1.680 -3.626 -4.996 1.00 11.42 C ATOM 509 C VAL A 37 -0.805 -4.204 -6.140 1.00 23.44 C ATOM 510 O VAL A 37 -1.268 -5.015 -6.951 1.00 61.13 O ATOM 511 CB VAL A 37 -2.008 -4.747 -3.934 1.00 73.21 C ATOM 512 CG1 VAL A 37 -0.724 -5.428 -3.391 1.00 11.22 C ATOM 513 CG2 VAL A 37 -2.870 -4.177 -2.776 1.00 30.31 C ATOM 0 H VAL A 37 -3.742 -3.624 -5.414 1.00 21.21 H new ATOM 0 HA VAL A 37 -1.124 -2.836 -4.491 1.00 11.42 H new ATOM 0 HB VAL A 37 -2.587 -5.517 -4.444 1.00 73.21 H new ATOM 0 HG11 VAL A 37 -0.997 -6.192 -2.663 1.00 11.22 H new ATOM 0 HG12 VAL A 37 -0.181 -5.890 -4.215 1.00 11.22 H new ATOM 0 HG13 VAL A 37 -0.091 -4.681 -2.912 1.00 11.22 H new ATOM 0 HG21 VAL A 37 -3.083 -4.968 -2.057 1.00 30.31 H new ATOM 0 HG22 VAL A 37 -2.327 -3.373 -2.280 1.00 30.31 H new ATOM 0 HG23 VAL A 37 -3.807 -3.789 -3.176 1.00 30.31 H new ATOM 523 N THR A 38 0.468 -3.785 -6.173 1.00 74.42 N ATOM 524 CA THR A 38 1.431 -4.144 -7.232 1.00 50.13 C ATOM 525 C THR A 38 2.333 -5.295 -6.739 1.00 74.40 C ATOM 526 O THR A 38 3.195 -5.090 -5.880 1.00 61.44 O ATOM 527 CB THR A 38 2.299 -2.900 -7.632 1.00 52.33 C ATOM 528 OG1 THR A 38 1.432 -1.818 -8.018 1.00 42.02 O ATOM 529 CG2 THR A 38 3.281 -3.204 -8.787 1.00 72.40 C ATOM 0 H THR A 38 0.866 -3.179 -5.456 1.00 74.42 H new ATOM 0 HA THR A 38 0.883 -4.472 -8.115 1.00 50.13 H new ATOM 0 HB THR A 38 2.895 -2.628 -6.761 1.00 52.33 H new ATOM 0 HG1 THR A 38 1.972 -1.039 -8.267 1.00 42.02 H new ATOM 0 HG21 THR A 38 3.855 -2.308 -9.022 1.00 72.40 H new ATOM 0 HG22 THR A 38 3.960 -4.002 -8.487 1.00 72.40 H new ATOM 0 HG23 THR A 38 2.721 -3.517 -9.668 1.00 72.40 H new ATOM 537 N ILE A 39 2.092 -6.510 -7.263 1.00 55.35 N ATOM 538 CA ILE A 39 2.838 -7.728 -6.875 1.00 64.20 C ATOM 539 C ILE A 39 4.085 -7.925 -7.789 1.00 54.45 C ATOM 540 O ILE A 39 3.930 -8.148 -8.997 1.00 11.54 O ATOM 541 CB ILE A 39 1.911 -9.005 -6.953 1.00 10.12 C ATOM 542 CG1 ILE A 39 0.636 -8.831 -6.056 1.00 33.31 C ATOM 543 CG2 ILE A 39 2.686 -10.296 -6.569 1.00 23.25 C ATOM 544 CD1 ILE A 39 0.911 -8.666 -4.566 1.00 71.11 C ATOM 0 H ILE A 39 1.375 -6.679 -7.968 1.00 55.35 H new ATOM 0 HA ILE A 39 3.171 -7.600 -5.845 1.00 64.20 H new ATOM 0 HB ILE A 39 1.586 -9.110 -7.988 1.00 10.12 H new ATOM 0 HG12 ILE A 39 0.081 -7.961 -6.406 1.00 33.31 H new ATOM 0 HG13 ILE A 39 -0.009 -9.698 -6.197 1.00 33.31 H new ATOM 0 HG21 ILE A 39 2.017 -11.154 -6.634 1.00 23.25 H new ATOM 0 HG22 ILE A 39 3.523 -10.435 -7.254 1.00 23.25 H new ATOM 0 HG23 ILE A 39 3.062 -10.205 -5.550 1.00 23.25 H new ATOM 0 HD11 ILE A 39 -0.033 -8.553 -4.032 1.00 71.11 H new ATOM 0 HD12 ILE A 39 1.436 -9.546 -4.193 1.00 71.11 H new ATOM 0 HD13 ILE A 39 1.527 -7.781 -4.405 1.00 71.11 H new ATOM 556 N PRO A 40 5.343 -7.818 -7.246 1.00 13.21 N ATOM 557 CA PRO A 40 6.580 -8.099 -8.019 1.00 54.31 C ATOM 558 C PRO A 40 6.838 -9.624 -8.207 1.00 32.23 C ATOM 559 O PRO A 40 6.277 -10.464 -7.485 1.00 21.33 O ATOM 560 CB PRO A 40 7.707 -7.418 -7.174 1.00 11.45 C ATOM 561 CG PRO A 40 6.987 -6.677 -6.070 1.00 63.02 C ATOM 562 CD PRO A 40 5.676 -7.405 -5.870 1.00 32.55 C ATOM 0 HA PRO A 40 6.522 -7.715 -9.037 1.00 54.31 H new ATOM 0 HB2 PRO A 40 8.395 -8.159 -6.767 1.00 11.45 H new ATOM 0 HB3 PRO A 40 8.298 -6.736 -7.785 1.00 11.45 H new ATOM 0 HG2 PRO A 40 7.576 -6.674 -5.153 1.00 63.02 H new ATOM 0 HG3 PRO A 40 6.818 -5.636 -6.344 1.00 63.02 H new ATOM 0 HD2 PRO A 40 5.781 -8.259 -5.202 1.00 32.55 H new ATOM 0 HD3 PRO A 40 4.911 -6.758 -5.442 1.00 32.55 H new ATOM 570 N ASP A 41 7.705 -9.954 -9.175 1.00 14.22 N ATOM 571 CA ASP A 41 8.012 -11.347 -9.563 1.00 13.55 C ATOM 572 C ASP A 41 8.832 -12.076 -8.466 1.00 15.12 C ATOM 573 O ASP A 41 9.942 -11.650 -8.121 1.00 21.31 O ATOM 574 CB ASP A 41 8.765 -11.348 -10.914 1.00 45.20 C ATOM 575 CG ASP A 41 7.940 -10.668 -12.020 1.00 20.12 C ATOM 576 OD1 ASP A 41 8.015 -9.426 -12.157 1.00 22.21 O ATOM 577 OD2 ASP A 41 7.188 -11.362 -12.731 1.00 24.35 O ATOM 0 H ASP A 41 8.219 -9.260 -9.717 1.00 14.22 H new ATOM 0 HA ASP A 41 7.076 -11.894 -9.674 1.00 13.55 H new ATOM 0 HB2 ASP A 41 9.718 -10.832 -10.801 1.00 45.20 H new ATOM 0 HB3 ASP A 41 8.990 -12.374 -11.205 1.00 45.20 H new ATOM 582 N GLY A 42 8.258 -13.171 -7.924 1.00 23.13 N ATOM 583 CA GLY A 42 8.875 -13.935 -6.828 1.00 10.51 C ATOM 584 C GLY A 42 8.488 -13.431 -5.429 1.00 13.01 C ATOM 585 O GLY A 42 9.117 -13.818 -4.435 1.00 33.51 O ATOM 0 H GLY A 42 7.361 -13.545 -8.233 1.00 23.13 H new ATOM 0 HA2 GLY A 42 8.587 -14.982 -6.920 1.00 10.51 H new ATOM 0 HA3 GLY A 42 9.959 -13.892 -6.933 1.00 10.51 H new ATOM 589 N TYR A 43 7.465 -12.551 -5.352 1.00 30.35 N ATOM 590 CA TYR A 43 6.913 -12.036 -4.068 1.00 3.42 C ATOM 591 C TYR A 43 5.391 -12.330 -3.963 1.00 11.13 C ATOM 592 O TYR A 43 4.676 -12.306 -4.966 1.00 22.14 O ATOM 593 CB TYR A 43 7.141 -10.500 -3.915 1.00 30.00 C ATOM 594 CG TYR A 43 8.608 -10.023 -3.922 1.00 63.32 C ATOM 595 CD1 TYR A 43 9.352 -9.974 -5.107 1.00 61.22 C ATOM 596 CD2 TYR A 43 9.236 -9.600 -2.744 1.00 44.20 C ATOM 597 CE1 TYR A 43 10.656 -9.529 -5.117 1.00 51.22 C ATOM 598 CE2 TYR A 43 10.538 -9.147 -2.751 1.00 1.25 C ATOM 599 CZ TYR A 43 11.245 -9.117 -3.938 1.00 14.11 C ATOM 600 OH TYR A 43 12.545 -8.666 -3.944 1.00 44.22 O ATOM 0 H TYR A 43 6.995 -12.175 -6.175 1.00 30.35 H new ATOM 0 HA TYR A 43 7.444 -12.552 -3.268 1.00 3.42 H new ATOM 0 HB2 TYR A 43 6.613 -9.994 -4.723 1.00 30.00 H new ATOM 0 HB3 TYR A 43 6.681 -10.177 -2.981 1.00 30.00 H new ATOM 0 HD1 TYR A 43 8.894 -10.292 -6.032 1.00 61.22 H new ATOM 0 HD2 TYR A 43 8.690 -9.629 -1.813 1.00 44.20 H new ATOM 0 HE1 TYR A 43 11.214 -9.503 -6.041 1.00 51.22 H new ATOM 0 HE2 TYR A 43 11.003 -8.817 -1.834 1.00 1.25 H new ATOM 0 HH TYR A 43 12.808 -8.413 -3.034 1.00 44.22 H new ATOM 610 N GLU A 44 4.907 -12.587 -2.732 1.00 4.31 N ATOM 611 CA GLU A 44 3.474 -12.847 -2.443 1.00 24.51 C ATOM 612 C GLU A 44 2.921 -11.784 -1.473 1.00 31.32 C ATOM 613 O GLU A 44 3.656 -11.269 -0.622 1.00 25.23 O ATOM 614 CB GLU A 44 3.291 -14.259 -1.821 1.00 62.43 C ATOM 615 CG GLU A 44 3.821 -15.429 -2.681 1.00 53.33 C ATOM 616 CD GLU A 44 3.155 -15.538 -4.069 1.00 12.51 C ATOM 617 OE1 GLU A 44 1.942 -15.837 -4.134 1.00 43.13 O ATOM 618 OE2 GLU A 44 3.836 -15.319 -5.100 1.00 53.35 O ATOM 0 H GLU A 44 5.499 -12.621 -1.902 1.00 4.31 H new ATOM 0 HA GLU A 44 2.924 -12.797 -3.383 1.00 24.51 H new ATOM 0 HB2 GLU A 44 3.795 -14.281 -0.855 1.00 62.43 H new ATOM 0 HB3 GLU A 44 2.230 -14.420 -1.631 1.00 62.43 H new ATOM 0 HG2 GLU A 44 4.897 -15.311 -2.813 1.00 53.33 H new ATOM 0 HG3 GLU A 44 3.667 -16.363 -2.141 1.00 53.33 H new ATOM 625 N TYR A 45 1.617 -11.477 -1.600 1.00 72.52 N ATOM 626 CA TYR A 45 0.919 -10.518 -0.712 1.00 61.21 C ATOM 627 C TYR A 45 0.751 -11.083 0.728 1.00 1.52 C ATOM 628 O TYR A 45 0.322 -12.227 0.903 1.00 3.23 O ATOM 629 CB TYR A 45 -0.463 -10.147 -1.318 1.00 74.43 C ATOM 630 CG TYR A 45 -1.285 -9.166 -0.464 1.00 10.01 C ATOM 631 CD1 TYR A 45 -0.964 -7.805 -0.414 1.00 72.35 C ATOM 632 CD2 TYR A 45 -2.365 -9.609 0.309 1.00 71.24 C ATOM 633 CE1 TYR A 45 -1.686 -6.932 0.368 1.00 11.44 C ATOM 634 CE2 TYR A 45 -3.080 -8.738 1.095 1.00 52.43 C ATOM 635 CZ TYR A 45 -2.741 -7.403 1.118 1.00 5.12 C ATOM 636 OH TYR A 45 -3.454 -6.538 1.907 1.00 11.44 O ATOM 0 H TYR A 45 1.016 -11.883 -2.317 1.00 72.52 H new ATOM 0 HA TYR A 45 1.532 -9.620 -0.638 1.00 61.21 H new ATOM 0 HB2 TYR A 45 -0.309 -9.711 -2.305 1.00 74.43 H new ATOM 0 HB3 TYR A 45 -1.041 -11.060 -1.460 1.00 74.43 H new ATOM 0 HD1 TYR A 45 -0.136 -7.433 -0.999 1.00 72.35 H new ATOM 0 HD2 TYR A 45 -2.641 -10.653 0.287 1.00 71.24 H new ATOM 0 HE1 TYR A 45 -1.427 -5.884 0.393 1.00 11.44 H new ATOM 0 HE2 TYR A 45 -3.904 -9.098 1.692 1.00 52.43 H new ATOM 0 HH TYR A 45 -3.532 -6.908 2.811 1.00 11.44 H new ATOM 646 N VAL A 46 1.097 -10.268 1.746 1.00 52.20 N ATOM 647 CA VAL A 46 0.948 -10.642 3.176 1.00 13.13 C ATOM 648 C VAL A 46 -0.226 -9.874 3.843 1.00 63.13 C ATOM 649 O VAL A 46 -1.190 -10.490 4.318 1.00 55.30 O ATOM 650 CB VAL A 46 2.285 -10.389 3.976 1.00 73.25 C ATOM 651 CG1 VAL A 46 2.170 -10.818 5.462 1.00 20.04 C ATOM 652 CG2 VAL A 46 3.479 -11.085 3.292 1.00 42.11 C ATOM 0 H VAL A 46 1.486 -9.336 1.606 1.00 52.20 H new ATOM 0 HA VAL A 46 0.723 -11.708 3.207 1.00 13.13 H new ATOM 0 HB VAL A 46 2.463 -9.314 3.967 1.00 73.25 H new ATOM 0 HG11 VAL A 46 3.114 -10.625 5.971 1.00 20.04 H new ATOM 0 HG12 VAL A 46 1.375 -10.249 5.944 1.00 20.04 H new ATOM 0 HG13 VAL A 46 1.940 -11.882 5.517 1.00 20.04 H new ATOM 0 HG21 VAL A 46 4.387 -10.895 3.864 1.00 42.11 H new ATOM 0 HG22 VAL A 46 3.297 -12.159 3.247 1.00 42.11 H new ATOM 0 HG23 VAL A 46 3.598 -10.694 2.281 1.00 42.11 H new ATOM 662 N GLY A 47 -0.144 -8.526 3.860 1.00 4.42 N ATOM 663 CA GLY A 47 -1.132 -7.692 4.587 1.00 55.11 C ATOM 664 C GLY A 47 -1.090 -6.205 4.204 1.00 54.01 C ATOM 665 O GLY A 47 -0.378 -5.820 3.278 1.00 21.32 O ATOM 0 H GLY A 47 0.586 -7.995 3.385 1.00 4.42 H new ATOM 0 HA2 GLY A 47 -2.132 -8.079 4.394 1.00 55.11 H new ATOM 0 HA3 GLY A 47 -0.955 -7.787 5.658 1.00 55.11 H new ATOM 669 N THR A 48 -1.898 -5.374 4.899 1.00 64.43 N ATOM 670 CA THR A 48 -1.939 -3.893 4.702 1.00 24.35 C ATOM 671 C THR A 48 -2.289 -3.169 6.029 1.00 2.24 C ATOM 672 O THR A 48 -3.163 -3.617 6.782 1.00 72.31 O ATOM 673 CB THR A 48 -2.965 -3.471 3.578 1.00 43.42 C ATOM 674 OG1 THR A 48 -2.514 -3.939 2.292 1.00 41.23 O ATOM 675 CG2 THR A 48 -3.178 -1.945 3.494 1.00 4.24 C ATOM 0 H THR A 48 -2.544 -5.704 5.616 1.00 64.43 H new ATOM 0 HA THR A 48 -0.943 -3.591 4.379 1.00 24.35 H new ATOM 0 HB THR A 48 -3.916 -3.929 3.849 1.00 43.42 H new ATOM 0 HG1 THR A 48 -2.823 -4.858 2.152 1.00 41.23 H new ATOM 0 HG21 THR A 48 -3.893 -1.720 2.703 1.00 4.24 H new ATOM 0 HG22 THR A 48 -3.562 -1.578 4.446 1.00 4.24 H new ATOM 0 HG23 THR A 48 -2.229 -1.457 3.274 1.00 4.24 H new ATOM 683 N ASP A 49 -1.591 -2.048 6.298 1.00 31.33 N ATOM 684 CA ASP A 49 -1.789 -1.202 7.504 1.00 74.42 C ATOM 685 C ASP A 49 -2.129 0.255 7.112 1.00 74.31 C ATOM 686 O ASP A 49 -1.771 0.708 6.025 1.00 45.20 O ATOM 687 CB ASP A 49 -0.521 -1.236 8.393 1.00 23.12 C ATOM 688 CG ASP A 49 -0.269 -2.623 9.007 1.00 21.22 C ATOM 689 OD1 ASP A 49 0.331 -3.483 8.333 1.00 2.31 O ATOM 690 OD2 ASP A 49 -0.699 -2.868 10.156 1.00 1.24 O ATOM 0 H ASP A 49 -0.862 -1.695 5.678 1.00 31.33 H new ATOM 0 HA ASP A 49 -2.630 -1.605 8.068 1.00 74.42 H new ATOM 0 HB2 ASP A 49 0.344 -0.943 7.798 1.00 23.12 H new ATOM 0 HB3 ASP A 49 -0.622 -0.501 9.192 1.00 23.12 H new ATOM 695 N GLY A 50 -2.844 0.969 8.003 1.00 32.52 N ATOM 696 CA GLY A 50 -3.179 2.393 7.799 1.00 25.52 C ATOM 697 C GLY A 50 -4.552 2.605 7.161 1.00 10.42 C ATOM 698 O GLY A 50 -5.490 3.056 7.826 1.00 25.51 O ATOM 0 H GLY A 50 -3.203 0.581 8.875 1.00 32.52 H new ATOM 0 HA2 GLY A 50 -3.149 2.908 8.759 1.00 25.52 H new ATOM 0 HA3 GLY A 50 -2.418 2.851 7.168 1.00 25.52 H new ATOM 702 N GLY A 51 -4.661 2.273 5.862 1.00 4.24 N ATOM 703 CA GLY A 51 -5.933 2.376 5.122 1.00 40.21 C ATOM 704 C GLY A 51 -6.769 1.089 5.153 1.00 24.25 C ATOM 705 O GLY A 51 -6.423 0.122 5.846 1.00 22.52 O ATOM 0 H GLY A 51 -3.881 1.930 5.301 1.00 4.24 H new ATOM 0 HA2 GLY A 51 -6.522 3.192 5.541 1.00 40.21 H new ATOM 0 HA3 GLY A 51 -5.720 2.636 4.085 1.00 40.21 H new ATOM 709 N VAL A 52 -7.864 1.073 4.374 1.00 32.32 N ATOM 710 CA VAL A 52 -8.778 -0.096 4.276 1.00 74.31 C ATOM 711 C VAL A 52 -8.289 -1.045 3.150 1.00 65.34 C ATOM 712 O VAL A 52 -7.680 -0.591 2.182 1.00 72.22 O ATOM 713 CB VAL A 52 -10.265 0.366 3.999 1.00 21.23 C ATOM 714 CG1 VAL A 52 -11.257 -0.826 3.972 1.00 2.53 C ATOM 715 CG2 VAL A 52 -10.716 1.432 5.028 1.00 45.43 C ATOM 0 H VAL A 52 -8.147 1.863 3.794 1.00 32.32 H new ATOM 0 HA VAL A 52 -8.766 -0.628 5.227 1.00 74.31 H new ATOM 0 HB VAL A 52 -10.276 0.816 3.006 1.00 21.23 H new ATOM 0 HG11 VAL A 52 -12.264 -0.457 3.778 1.00 2.53 H new ATOM 0 HG12 VAL A 52 -10.968 -1.522 3.184 1.00 2.53 H new ATOM 0 HG13 VAL A 52 -11.237 -1.338 4.934 1.00 2.53 H new ATOM 0 HG21 VAL A 52 -11.742 1.732 4.815 1.00 45.43 H new ATOM 0 HG22 VAL A 52 -10.662 1.013 6.033 1.00 45.43 H new ATOM 0 HG23 VAL A 52 -10.062 2.302 4.961 1.00 45.43 H new ATOM 725 N VAL A 53 -8.554 -2.358 3.279 1.00 5.21 N ATOM 726 CA VAL A 53 -8.116 -3.374 2.289 1.00 31.25 C ATOM 727 C VAL A 53 -9.277 -4.330 1.901 1.00 42.42 C ATOM 728 O VAL A 53 -10.190 -4.581 2.705 1.00 74.23 O ATOM 729 CB VAL A 53 -6.877 -4.187 2.837 1.00 2.03 C ATOM 730 CG1 VAL A 53 -7.207 -4.930 4.153 1.00 73.41 C ATOM 731 CG2 VAL A 53 -6.305 -5.154 1.771 1.00 73.33 C ATOM 0 H VAL A 53 -9.074 -2.748 4.065 1.00 5.21 H new ATOM 0 HA VAL A 53 -7.810 -2.847 1.385 1.00 31.25 H new ATOM 0 HB VAL A 53 -6.100 -3.457 3.065 1.00 2.03 H new ATOM 0 HG11 VAL A 53 -6.327 -5.475 4.493 1.00 73.41 H new ATOM 0 HG12 VAL A 53 -7.503 -4.208 4.914 1.00 73.41 H new ATOM 0 HG13 VAL A 53 -8.024 -5.631 3.980 1.00 73.41 H new ATOM 0 HG21 VAL A 53 -5.455 -5.694 2.188 1.00 73.33 H new ATOM 0 HG22 VAL A 53 -7.076 -5.865 1.474 1.00 73.33 H new ATOM 0 HG23 VAL A 53 -5.981 -4.585 0.900 1.00 73.33 H new ATOM 741 N SER A 54 -9.242 -4.831 0.646 1.00 14.30 N ATOM 742 CA SER A 54 -10.203 -5.843 0.131 1.00 51.25 C ATOM 743 C SER A 54 -9.952 -7.241 0.748 1.00 43.00 C ATOM 744 O SER A 54 -8.849 -7.533 1.235 1.00 74.31 O ATOM 745 CB SER A 54 -10.099 -5.937 -1.413 1.00 20.22 C ATOM 746 OG SER A 54 -10.942 -6.955 -1.946 1.00 54.41 O ATOM 0 H SER A 54 -8.546 -4.547 -0.043 1.00 14.30 H new ATOM 0 HA SER A 54 -11.203 -5.519 0.418 1.00 51.25 H new ATOM 0 HB2 SER A 54 -10.368 -4.977 -1.853 1.00 20.22 H new ATOM 0 HB3 SER A 54 -9.065 -6.138 -1.695 1.00 20.22 H new ATOM 0 HG SER A 54 -10.848 -6.980 -2.921 1.00 54.41 H new ATOM 752 N SER A 55 -10.983 -8.109 0.694 1.00 3.02 N ATOM 753 CA SER A 55 -10.882 -9.528 1.133 1.00 74.10 C ATOM 754 C SER A 55 -9.985 -10.355 0.181 1.00 4.22 C ATOM 755 O SER A 55 -9.441 -11.390 0.575 1.00 15.53 O ATOM 756 CB SER A 55 -12.284 -10.174 1.227 1.00 1.40 C ATOM 757 OG SER A 55 -13.094 -9.514 2.186 1.00 51.51 O ATOM 0 H SER A 55 -11.908 -7.854 0.347 1.00 3.02 H new ATOM 0 HA SER A 55 -10.423 -9.529 2.121 1.00 74.10 H new ATOM 0 HB2 SER A 55 -12.769 -10.138 0.252 1.00 1.40 H new ATOM 0 HB3 SER A 55 -12.185 -11.226 1.495 1.00 1.40 H new ATOM 0 HG SER A 55 -13.974 -9.943 2.222 1.00 51.51 H new ATOM 763 N ASP A 56 -9.855 -9.898 -1.079 1.00 45.34 N ATOM 764 CA ASP A 56 -8.917 -10.483 -2.068 1.00 71.43 C ATOM 765 C ASP A 56 -7.477 -9.942 -1.868 1.00 72.04 C ATOM 766 O ASP A 56 -6.508 -10.555 -2.326 1.00 23.20 O ATOM 767 CB ASP A 56 -9.405 -10.141 -3.499 1.00 75.20 C ATOM 768 CG ASP A 56 -10.860 -10.563 -3.739 1.00 75.10 C ATOM 769 OD1 ASP A 56 -11.101 -11.710 -4.168 1.00 60.33 O ATOM 770 OD2 ASP A 56 -11.775 -9.753 -3.479 1.00 54.23 O ATOM 0 H ASP A 56 -10.395 -9.113 -1.444 1.00 45.34 H new ATOM 0 HA ASP A 56 -8.896 -11.563 -1.925 1.00 71.43 H new ATOM 0 HB2 ASP A 56 -9.309 -9.068 -3.666 1.00 75.20 H new ATOM 0 HB3 ASP A 56 -8.762 -10.635 -4.227 1.00 75.20 H new ATOM 775 N GLY A 57 -7.362 -8.783 -1.175 1.00 34.44 N ATOM 776 CA GLY A 57 -6.073 -8.106 -0.940 1.00 63.25 C ATOM 777 C GLY A 57 -5.401 -7.531 -2.199 1.00 15.13 C ATOM 778 O GLY A 57 -4.234 -7.142 -2.152 1.00 72.10 O ATOM 0 H GLY A 57 -8.160 -8.296 -0.766 1.00 34.44 H new ATOM 0 HA2 GLY A 57 -6.230 -7.296 -0.228 1.00 63.25 H new ATOM 0 HA3 GLY A 57 -5.388 -8.813 -0.472 1.00 63.25 H new ATOM 782 N LYS A 58 -6.147 -7.478 -3.324 1.00 63.23 N ATOM 783 CA LYS A 58 -5.635 -6.980 -4.629 1.00 42.14 C ATOM 784 C LYS A 58 -5.863 -5.460 -4.802 1.00 24.32 C ATOM 785 O LYS A 58 -5.265 -4.835 -5.680 1.00 24.01 O ATOM 786 CB LYS A 58 -6.300 -7.760 -5.792 1.00 14.23 C ATOM 787 CG LYS A 58 -6.043 -9.286 -5.763 1.00 70.00 C ATOM 788 CD LYS A 58 -6.627 -10.025 -6.990 1.00 34.40 C ATOM 789 CE LYS A 58 -8.153 -9.855 -7.137 1.00 43.12 C ATOM 790 NZ LYS A 58 -8.681 -10.589 -8.318 1.00 51.34 N ATOM 0 H LYS A 58 -7.121 -7.778 -3.358 1.00 63.23 H new ATOM 0 HA LYS A 58 -4.558 -7.149 -4.647 1.00 42.14 H new ATOM 0 HB2 LYS A 58 -7.375 -7.584 -5.764 1.00 14.23 H new ATOM 0 HB3 LYS A 58 -5.935 -7.360 -6.738 1.00 14.23 H new ATOM 0 HG2 LYS A 58 -4.969 -9.466 -5.715 1.00 70.00 H new ATOM 0 HG3 LYS A 58 -6.477 -9.704 -4.855 1.00 70.00 H new ATOM 0 HD2 LYS A 58 -6.139 -9.657 -7.893 1.00 34.40 H new ATOM 0 HD3 LYS A 58 -6.393 -11.087 -6.911 1.00 34.40 H new ATOM 0 HE2 LYS A 58 -8.647 -10.215 -6.235 1.00 43.12 H new ATOM 0 HE3 LYS A 58 -8.393 -8.796 -7.231 1.00 43.12 H new ATOM 0 HZ1 LYS A 58 -9.710 -10.450 -8.382 1.00 51.34 H new ATOM 0 HZ2 LYS A 58 -8.228 -10.228 -9.182 1.00 51.34 H new ATOM 0 HZ3 LYS A 58 -8.475 -11.603 -8.217 1.00 51.34 H new ATOM 804 N THR A 59 -6.764 -4.886 -3.982 1.00 63.30 N ATOM 805 CA THR A 59 -6.989 -3.419 -3.902 1.00 43.12 C ATOM 806 C THR A 59 -7.041 -2.964 -2.428 1.00 2.43 C ATOM 807 O THR A 59 -7.382 -3.738 -1.521 1.00 12.34 O ATOM 808 CB THR A 59 -8.314 -2.951 -4.613 1.00 44.20 C ATOM 809 OG1 THR A 59 -9.450 -3.603 -4.017 1.00 55.31 O ATOM 810 CG2 THR A 59 -8.296 -3.224 -6.131 1.00 73.32 C ATOM 0 H THR A 59 -7.361 -5.423 -3.352 1.00 63.30 H new ATOM 0 HA THR A 59 -6.149 -2.960 -4.424 1.00 43.12 H new ATOM 0 HB THR A 59 -8.388 -1.872 -4.475 1.00 44.20 H new ATOM 0 HG1 THR A 59 -10.270 -3.305 -4.464 1.00 55.31 H new ATOM 0 HG21 THR A 59 -9.232 -2.883 -6.573 1.00 73.32 H new ATOM 0 HG22 THR A 59 -7.463 -2.689 -6.587 1.00 73.32 H new ATOM 0 HG23 THR A 59 -8.180 -4.293 -6.307 1.00 73.32 H new ATOM 818 N VAL A 60 -6.690 -1.692 -2.217 1.00 64.40 N ATOM 819 CA VAL A 60 -6.716 -1.012 -0.910 1.00 61.13 C ATOM 820 C VAL A 60 -7.455 0.351 -1.048 1.00 31.03 C ATOM 821 O VAL A 60 -7.093 1.182 -1.890 1.00 11.05 O ATOM 822 CB VAL A 60 -5.245 -0.816 -0.330 1.00 21.41 C ATOM 823 CG1 VAL A 60 -4.634 -2.165 0.113 1.00 4.34 C ATOM 824 CG2 VAL A 60 -4.305 -0.127 -1.346 1.00 24.42 C ATOM 0 H VAL A 60 -6.369 -1.085 -2.971 1.00 64.40 H new ATOM 0 HA VAL A 60 -7.258 -1.636 -0.199 1.00 61.13 H new ATOM 0 HB VAL A 60 -5.340 -0.165 0.539 1.00 21.41 H new ATOM 0 HG11 VAL A 60 -3.630 -1.999 0.504 1.00 4.34 H new ATOM 0 HG12 VAL A 60 -5.257 -2.609 0.889 1.00 4.34 H new ATOM 0 HG13 VAL A 60 -4.583 -2.840 -0.742 1.00 4.34 H new ATOM 0 HG21 VAL A 60 -3.314 -0.015 -0.907 1.00 24.42 H new ATOM 0 HG22 VAL A 60 -4.235 -0.735 -2.248 1.00 24.42 H new ATOM 0 HG23 VAL A 60 -4.702 0.855 -1.601 1.00 24.42 H new ATOM 834 N THR A 61 -8.529 0.554 -0.253 1.00 23.05 N ATOM 835 CA THR A 61 -9.328 1.808 -0.280 1.00 72.45 C ATOM 836 C THR A 61 -8.689 2.858 0.658 1.00 74.22 C ATOM 837 O THR A 61 -8.765 2.752 1.890 1.00 53.24 O ATOM 838 CB THR A 61 -10.827 1.557 0.114 1.00 60.52 C ATOM 839 OG1 THR A 61 -11.395 0.568 -0.763 1.00 25.22 O ATOM 840 CG2 THR A 61 -11.681 2.844 0.042 1.00 22.12 C ATOM 0 H THR A 61 -8.867 -0.135 0.419 1.00 23.05 H new ATOM 0 HA THR A 61 -9.323 2.186 -1.302 1.00 72.45 H new ATOM 0 HB THR A 61 -10.836 1.210 1.147 1.00 60.52 H new ATOM 0 HG1 THR A 61 -12.330 0.410 -0.516 1.00 25.22 H new ATOM 0 HG21 THR A 61 -12.709 2.615 0.324 1.00 22.12 H new ATOM 0 HG22 THR A 61 -11.275 3.589 0.726 1.00 22.12 H new ATOM 0 HG23 THR A 61 -11.663 3.236 -0.975 1.00 22.12 H new ATOM 848 N ILE A 62 -8.045 3.855 0.047 1.00 44.23 N ATOM 849 CA ILE A 62 -7.223 4.864 0.739 1.00 0.01 C ATOM 850 C ILE A 62 -7.929 6.233 0.753 1.00 30.32 C ATOM 851 O ILE A 62 -8.067 6.878 -0.282 1.00 15.22 O ATOM 852 CB ILE A 62 -5.828 4.989 0.024 1.00 52.12 C ATOM 853 CG1 ILE A 62 -5.175 3.577 -0.119 1.00 61.05 C ATOM 854 CG2 ILE A 62 -4.895 5.982 0.768 1.00 14.22 C ATOM 855 CD1 ILE A 62 -3.854 3.560 -0.850 1.00 13.33 C ATOM 0 H ILE A 62 -8.078 3.991 -0.963 1.00 44.23 H new ATOM 0 HA ILE A 62 -7.078 4.544 1.771 1.00 0.01 H new ATOM 0 HB ILE A 62 -5.984 5.396 -0.975 1.00 52.12 H new ATOM 0 HG12 ILE A 62 -5.029 3.158 0.876 1.00 61.05 H new ATOM 0 HG13 ILE A 62 -5.872 2.922 -0.642 1.00 61.05 H new ATOM 0 HG21 ILE A 62 -3.940 6.044 0.247 1.00 14.22 H new ATOM 0 HG22 ILE A 62 -5.359 6.968 0.793 1.00 14.22 H new ATOM 0 HG23 ILE A 62 -4.730 5.632 1.787 1.00 14.22 H new ATOM 0 HD11 ILE A 62 -3.479 2.538 -0.899 1.00 13.33 H new ATOM 0 HD12 ILE A 62 -3.992 3.945 -1.860 1.00 13.33 H new ATOM 0 HD13 ILE A 62 -3.136 4.185 -0.319 1.00 13.33 H new ATOM 867 N THR A 63 -8.376 6.673 1.930 1.00 73.20 N ATOM 868 CA THR A 63 -8.942 8.025 2.100 1.00 33.13 C ATOM 869 C THR A 63 -7.806 8.994 2.485 1.00 22.23 C ATOM 870 O THR A 63 -7.019 8.694 3.396 1.00 23.21 O ATOM 871 CB THR A 63 -10.076 8.056 3.181 1.00 24.23 C ATOM 872 OG1 THR A 63 -11.088 7.088 2.850 1.00 15.30 O ATOM 873 CG2 THR A 63 -10.738 9.446 3.292 1.00 2.13 C ATOM 0 H THR A 63 -8.360 6.117 2.785 1.00 73.20 H new ATOM 0 HA THR A 63 -9.396 8.332 1.157 1.00 33.13 H new ATOM 0 HB THR A 63 -9.614 7.821 4.140 1.00 24.23 H new ATOM 0 HG1 THR A 63 -11.795 7.109 3.529 1.00 15.30 H new ATOM 0 HG21 THR A 63 -11.517 9.418 4.054 1.00 2.13 H new ATOM 0 HG22 THR A 63 -9.987 10.186 3.569 1.00 2.13 H new ATOM 0 HG23 THR A 63 -11.178 9.717 2.332 1.00 2.13 H new ATOM 881 N PHE A 64 -7.697 10.131 1.767 1.00 1.10 N ATOM 882 CA PHE A 64 -6.687 11.170 2.079 1.00 61.51 C ATOM 883 C PHE A 64 -6.983 11.796 3.459 1.00 42.14 C ATOM 884 O PHE A 64 -8.146 11.853 3.884 1.00 31.24 O ATOM 885 CB PHE A 64 -6.665 12.274 0.992 1.00 75.24 C ATOM 886 CG PHE A 64 -6.522 11.767 -0.440 1.00 14.54 C ATOM 887 CD1 PHE A 64 -5.272 11.460 -0.969 1.00 50.14 C ATOM 888 CD2 PHE A 64 -7.644 11.600 -1.262 1.00 51.52 C ATOM 889 CE1 PHE A 64 -5.150 11.002 -2.263 1.00 33.11 C ATOM 890 CE2 PHE A 64 -7.517 11.145 -2.554 1.00 11.34 C ATOM 891 CZ PHE A 64 -6.269 10.847 -3.056 1.00 63.44 C ATOM 0 H PHE A 64 -8.292 10.355 0.970 1.00 1.10 H new ATOM 0 HA PHE A 64 -5.707 10.694 2.100 1.00 61.51 H new ATOM 0 HB2 PHE A 64 -7.585 12.854 1.066 1.00 75.24 H new ATOM 0 HB3 PHE A 64 -5.841 12.955 1.204 1.00 75.24 H new ATOM 0 HD1 PHE A 64 -4.389 11.582 -0.359 1.00 50.14 H new ATOM 0 HD2 PHE A 64 -8.625 11.832 -0.875 1.00 51.52 H new ATOM 0 HE1 PHE A 64 -4.174 10.763 -2.659 1.00 33.11 H new ATOM 0 HE2 PHE A 64 -8.393 11.022 -3.173 1.00 11.34 H new ATOM 0 HZ PHE A 64 -6.166 10.492 -4.071 1.00 63.44 H new ATOM 901 N ALA A 65 -5.938 12.242 4.163 1.00 33.51 N ATOM 902 CA ALA A 65 -6.094 12.844 5.501 1.00 1.20 C ATOM 903 C ALA A 65 -5.006 13.889 5.794 1.00 14.12 C ATOM 904 O ALA A 65 -3.894 13.816 5.259 1.00 1.22 O ATOM 905 CB ALA A 65 -6.083 11.737 6.578 1.00 24.15 C ATOM 0 H ALA A 65 -4.974 12.200 3.833 1.00 33.51 H new ATOM 0 HA ALA A 65 -7.052 13.363 5.523 1.00 1.20 H new ATOM 0 HB1 ALA A 65 -6.198 12.187 7.564 1.00 24.15 H new ATOM 0 HB2 ALA A 65 -6.905 11.045 6.397 1.00 24.15 H new ATOM 0 HB3 ALA A 65 -5.137 11.197 6.535 1.00 24.15 H new ATOM 911 N ALA A 66 -5.359 14.879 6.637 1.00 54.42 N ATOM 912 CA ALA A 66 -4.374 15.765 7.305 1.00 21.23 C ATOM 913 C ALA A 66 -3.787 15.066 8.568 1.00 13.41 C ATOM 914 O ALA A 66 -2.897 15.600 9.237 1.00 12.22 O ATOM 915 CB ALA A 66 -5.036 17.107 7.664 1.00 25.33 C ATOM 0 H ALA A 66 -6.328 15.090 6.876 1.00 54.42 H new ATOM 0 HA ALA A 66 -3.548 15.965 6.622 1.00 21.23 H new ATOM 0 HB1 ALA A 66 -4.307 17.753 8.154 1.00 25.33 H new ATOM 0 HB2 ALA A 66 -5.396 17.590 6.755 1.00 25.33 H new ATOM 0 HB3 ALA A 66 -5.875 16.930 8.337 1.00 25.33 H new ATOM 921 N ASP A 67 -4.329 13.871 8.876 1.00 31.35 N ATOM 922 CA ASP A 67 -3.876 12.983 9.963 1.00 22.04 C ATOM 923 C ASP A 67 -2.926 11.878 9.410 1.00 54.03 C ATOM 924 O ASP A 67 -2.908 11.609 8.203 1.00 13.03 O ATOM 925 CB ASP A 67 -5.137 12.358 10.622 1.00 13.34 C ATOM 926 CG ASP A 67 -4.841 11.567 11.904 1.00 71.52 C ATOM 927 OD1 ASP A 67 -4.806 12.172 12.995 1.00 30.14 O ATOM 928 OD2 ASP A 67 -4.619 10.344 11.820 1.00 62.43 O ATOM 0 H ASP A 67 -5.119 13.486 8.358 1.00 31.35 H new ATOM 0 HA ASP A 67 -3.311 13.548 10.704 1.00 22.04 H new ATOM 0 HB2 ASP A 67 -5.846 13.153 10.853 1.00 13.34 H new ATOM 0 HB3 ASP A 67 -5.621 11.698 9.903 1.00 13.34 H new ATOM 933 N ASP A 68 -2.181 11.211 10.314 1.00 30.00 N ATOM 934 CA ASP A 68 -1.194 10.154 9.960 1.00 75.31 C ATOM 935 C ASP A 68 -1.840 8.828 9.456 1.00 23.11 C ATOM 936 O ASP A 68 -1.124 7.897 9.065 1.00 3.10 O ATOM 937 CB ASP A 68 -0.290 9.881 11.178 1.00 32.34 C ATOM 938 CG ASP A 68 0.457 11.142 11.643 1.00 1.24 C ATOM 939 OD1 ASP A 68 1.569 11.408 11.142 1.00 13.30 O ATOM 940 OD2 ASP A 68 -0.075 11.885 12.497 1.00 5.02 O ATOM 0 H ASP A 68 -2.242 11.386 11.317 1.00 30.00 H new ATOM 0 HA ASP A 68 -0.610 10.532 9.121 1.00 75.31 H new ATOM 0 HB2 ASP A 68 -0.896 9.497 11.999 1.00 32.34 H new ATOM 0 HB3 ASP A 68 0.433 9.105 10.925 1.00 32.34 H new ATOM 945 N SER A 69 -3.186 8.755 9.449 1.00 65.42 N ATOM 946 CA SER A 69 -3.941 7.587 8.908 1.00 2.43 C ATOM 947 C SER A 69 -3.881 7.487 7.355 1.00 11.52 C ATOM 948 O SER A 69 -4.476 6.576 6.772 1.00 71.20 O ATOM 949 CB SER A 69 -5.415 7.649 9.381 1.00 54.23 C ATOM 950 OG SER A 69 -5.504 7.599 10.797 1.00 31.34 O ATOM 0 H SER A 69 -3.785 9.495 9.814 1.00 65.42 H new ATOM 0 HA SER A 69 -3.460 6.690 9.298 1.00 2.43 H new ATOM 0 HB2 SER A 69 -5.878 8.566 9.017 1.00 54.23 H new ATOM 0 HB3 SER A 69 -5.973 6.818 8.950 1.00 54.23 H new ATOM 0 HG SER A 69 -5.212 8.455 11.174 1.00 31.34 H new ATOM 956 N ASP A 70 -3.147 8.413 6.702 1.00 72.24 N ATOM 957 CA ASP A 70 -2.932 8.407 5.237 1.00 75.14 C ATOM 958 C ASP A 70 -1.882 7.333 4.824 1.00 32.04 C ATOM 959 O ASP A 70 -1.870 6.864 3.679 1.00 42.01 O ATOM 960 CB ASP A 70 -2.456 9.816 4.782 1.00 1.43 C ATOM 961 CG ASP A 70 -1.002 10.127 5.204 1.00 32.22 C ATOM 962 OD1 ASP A 70 -0.775 10.468 6.384 1.00 21.44 O ATOM 963 OD2 ASP A 70 -0.074 9.989 4.360 1.00 12.41 O ATOM 0 H ASP A 70 -2.685 9.189 7.177 1.00 72.24 H new ATOM 0 HA ASP A 70 -3.875 8.158 4.750 1.00 75.14 H new ATOM 0 HB2 ASP A 70 -2.537 9.888 3.697 1.00 1.43 H new ATOM 0 HB3 ASP A 70 -3.120 10.571 5.202 1.00 1.43 H new ATOM 968 N ASN A 71 -0.984 6.994 5.779 1.00 5.51 N ATOM 969 CA ASN A 71 0.157 6.084 5.547 1.00 1.13 C ATOM 970 C ASN A 71 -0.326 4.630 5.365 1.00 24.52 C ATOM 971 O ASN A 71 -0.664 3.956 6.340 1.00 51.41 O ATOM 972 CB ASN A 71 1.164 6.164 6.733 1.00 62.25 C ATOM 973 CG ASN A 71 1.625 7.578 7.099 1.00 54.23 C ATOM 974 OD1 ASN A 71 1.891 7.877 8.263 1.00 70.22 O ATOM 975 ND2 ASN A 71 1.738 8.458 6.130 1.00 33.01 N ATOM 0 H ASN A 71 -1.033 7.347 6.735 1.00 5.51 H new ATOM 0 HA ASN A 71 0.659 6.399 4.632 1.00 1.13 H new ATOM 0 HB2 ASN A 71 0.705 5.710 7.611 1.00 62.25 H new ATOM 0 HB3 ASN A 71 2.041 5.565 6.486 1.00 62.25 H new ATOM 0 HD21 ASN A 71 2.051 9.407 6.337 1.00 33.01 H new ATOM 0 HD22 ASN A 71 1.513 8.192 5.171 1.00 33.01 H new ATOM 982 N VAL A 72 -0.386 4.165 4.111 1.00 3.51 N ATOM 983 CA VAL A 72 -0.798 2.785 3.786 1.00 21.23 C ATOM 984 C VAL A 72 0.449 1.930 3.488 1.00 62.45 C ATOM 985 O VAL A 72 1.181 2.191 2.538 1.00 14.43 O ATOM 986 CB VAL A 72 -1.799 2.789 2.576 1.00 30.42 C ATOM 987 CG1 VAL A 72 -2.195 1.357 2.130 1.00 12.44 C ATOM 988 CG2 VAL A 72 -3.050 3.623 2.936 1.00 21.53 C ATOM 0 H VAL A 72 -0.152 4.728 3.293 1.00 3.51 H new ATOM 0 HA VAL A 72 -1.315 2.346 4.639 1.00 21.23 H new ATOM 0 HB VAL A 72 -1.292 3.247 1.727 1.00 30.42 H new ATOM 0 HG11 VAL A 72 -2.888 1.416 1.291 1.00 12.44 H new ATOM 0 HG12 VAL A 72 -1.302 0.811 1.826 1.00 12.44 H new ATOM 0 HG13 VAL A 72 -2.673 0.837 2.960 1.00 12.44 H new ATOM 0 HG21 VAL A 72 -3.742 3.623 2.094 1.00 21.53 H new ATOM 0 HG22 VAL A 72 -3.539 3.188 3.807 1.00 21.53 H new ATOM 0 HG23 VAL A 72 -2.752 4.647 3.161 1.00 21.53 H new ATOM 998 N VAL A 73 0.675 0.898 4.310 1.00 3.24 N ATOM 999 CA VAL A 73 1.872 0.043 4.228 1.00 45.41 C ATOM 1000 C VAL A 73 1.476 -1.371 3.759 1.00 54.42 C ATOM 1001 O VAL A 73 0.866 -2.138 4.510 1.00 52.41 O ATOM 1002 CB VAL A 73 2.612 -0.014 5.617 1.00 52.01 C ATOM 1003 CG1 VAL A 73 3.854 -0.931 5.565 1.00 31.04 C ATOM 1004 CG2 VAL A 73 2.999 1.409 6.090 1.00 54.24 C ATOM 0 H VAL A 73 0.032 0.629 5.055 1.00 3.24 H new ATOM 0 HA VAL A 73 2.561 0.472 3.500 1.00 45.41 H new ATOM 0 HB VAL A 73 1.919 -0.443 6.341 1.00 52.01 H new ATOM 0 HG11 VAL A 73 4.338 -0.944 6.542 1.00 31.04 H new ATOM 0 HG12 VAL A 73 3.548 -1.943 5.297 1.00 31.04 H new ATOM 0 HG13 VAL A 73 4.554 -0.554 4.819 1.00 31.04 H new ATOM 0 HG21 VAL A 73 3.509 1.347 7.051 1.00 54.24 H new ATOM 0 HG22 VAL A 73 3.662 1.868 5.357 1.00 54.24 H new ATOM 0 HG23 VAL A 73 2.099 2.015 6.195 1.00 54.24 H new ATOM 1014 N ILE A 74 1.817 -1.698 2.501 1.00 22.10 N ATOM 1015 CA ILE A 74 1.487 -2.998 1.889 1.00 2.13 C ATOM 1016 C ILE A 74 2.657 -3.990 2.100 1.00 11.52 C ATOM 1017 O ILE A 74 3.773 -3.772 1.624 1.00 2.53 O ATOM 1018 CB ILE A 74 1.148 -2.836 0.359 1.00 31.42 C ATOM 1019 CG1 ILE A 74 -0.063 -1.852 0.173 1.00 51.21 C ATOM 1020 CG2 ILE A 74 0.865 -4.212 -0.301 1.00 61.10 C ATOM 1021 CD1 ILE A 74 -0.440 -1.548 -1.271 1.00 23.44 C ATOM 0 H ILE A 74 2.328 -1.071 1.880 1.00 22.10 H new ATOM 0 HA ILE A 74 0.598 -3.398 2.377 1.00 2.13 H new ATOM 0 HB ILE A 74 2.016 -2.409 -0.144 1.00 31.42 H new ATOM 0 HG12 ILE A 74 -0.933 -2.273 0.677 1.00 51.21 H new ATOM 0 HG13 ILE A 74 0.173 -0.913 0.675 1.00 51.21 H new ATOM 0 HG21 ILE A 74 0.634 -4.069 -1.357 1.00 61.10 H new ATOM 0 HG22 ILE A 74 1.744 -4.849 -0.205 1.00 61.10 H new ATOM 0 HG23 ILE A 74 0.018 -4.686 0.195 1.00 61.10 H new ATOM 0 HD11 ILE A 74 -1.286 -0.861 -1.289 1.00 23.44 H new ATOM 0 HD12 ILE A 74 0.409 -1.092 -1.780 1.00 23.44 H new ATOM 0 HD13 ILE A 74 -0.713 -2.473 -1.778 1.00 23.44 H new ATOM 1033 N HIS A 75 2.370 -5.073 2.831 1.00 62.30 N ATOM 1034 CA HIS A 75 3.347 -6.109 3.207 1.00 74.42 C ATOM 1035 C HIS A 75 3.496 -7.176 2.102 1.00 1.14 C ATOM 1036 O HIS A 75 2.496 -7.638 1.536 1.00 35.42 O ATOM 1037 CB HIS A 75 2.897 -6.773 4.530 1.00 53.10 C ATOM 1038 CG HIS A 75 3.026 -5.882 5.737 1.00 3.32 C ATOM 1039 ND1 HIS A 75 3.931 -6.118 6.748 1.00 30.11 N ATOM 1040 CD2 HIS A 75 2.362 -4.757 6.094 1.00 33.20 C ATOM 1041 CE1 HIS A 75 3.822 -5.181 7.667 1.00 64.21 C ATOM 1042 NE2 HIS A 75 2.878 -4.346 7.295 1.00 62.42 N ATOM 0 H HIS A 75 1.433 -5.261 3.187 1.00 62.30 H new ATOM 0 HA HIS A 75 4.320 -5.636 3.339 1.00 74.42 H new ATOM 0 HB2 HIS A 75 1.858 -7.087 4.432 1.00 53.10 H new ATOM 0 HB3 HIS A 75 3.488 -7.674 4.692 1.00 53.10 H new ATOM 0 HD1 HIS A 75 4.586 -6.899 6.780 1.00 30.11 H new ATOM 0 HD2 HIS A 75 1.573 -4.274 5.536 1.00 33.20 H new ATOM 0 HE1 HIS A 75 4.408 -5.111 8.571 1.00 64.21 H new ATOM 1051 N LEU A 76 4.753 -7.574 1.836 1.00 51.54 N ATOM 1052 CA LEU A 76 5.129 -8.575 0.812 1.00 65.23 C ATOM 1053 C LEU A 76 6.243 -9.498 1.357 1.00 51.42 C ATOM 1054 O LEU A 76 7.141 -9.044 2.052 1.00 50.30 O ATOM 1055 CB LEU A 76 5.635 -7.882 -0.491 1.00 3.42 C ATOM 1056 CG LEU A 76 4.606 -6.982 -1.249 1.00 42.52 C ATOM 1057 CD1 LEU A 76 5.271 -6.252 -2.431 1.00 50.35 C ATOM 1058 CD2 LEU A 76 3.373 -7.800 -1.712 1.00 2.21 C ATOM 0 H LEU A 76 5.559 -7.201 2.338 1.00 51.54 H new ATOM 0 HA LEU A 76 4.241 -9.162 0.577 1.00 65.23 H new ATOM 0 HB2 LEU A 76 6.501 -7.270 -0.238 1.00 3.42 H new ATOM 0 HB3 LEU A 76 5.981 -8.656 -1.176 1.00 3.42 H new ATOM 0 HG LEU A 76 4.251 -6.225 -0.550 1.00 42.52 H new ATOM 0 HD11 LEU A 76 4.531 -5.634 -2.939 1.00 50.35 H new ATOM 0 HD12 LEU A 76 6.079 -5.621 -2.061 1.00 50.35 H new ATOM 0 HD13 LEU A 76 5.674 -6.984 -3.130 1.00 50.35 H new ATOM 0 HD21 LEU A 76 2.677 -7.144 -2.236 1.00 2.21 H new ATOM 0 HD22 LEU A 76 3.696 -8.596 -2.383 1.00 2.21 H new ATOM 0 HD23 LEU A 76 2.878 -8.235 -0.844 1.00 2.21 H new ATOM 1070 N LYS A 77 6.181 -10.788 1.026 1.00 72.34 N ATOM 1071 CA LYS A 77 7.234 -11.771 1.381 1.00 64.32 C ATOM 1072 C LYS A 77 7.729 -12.493 0.116 1.00 73.40 C ATOM 1073 O LYS A 77 7.177 -12.305 -0.959 1.00 65.13 O ATOM 1074 CB LYS A 77 6.705 -12.796 2.417 1.00 0.04 C ATOM 1075 CG LYS A 77 5.623 -13.756 1.872 1.00 23.43 C ATOM 1076 CD LYS A 77 5.119 -14.752 2.943 1.00 51.14 C ATOM 1077 CE LYS A 77 4.103 -15.756 2.384 1.00 10.44 C ATOM 1078 NZ LYS A 77 3.620 -16.694 3.432 1.00 41.01 N ATOM 0 H LYS A 77 5.404 -11.192 0.504 1.00 72.34 H new ATOM 0 HA LYS A 77 8.069 -11.235 1.832 1.00 64.32 H new ATOM 0 HB2 LYS A 77 7.544 -13.386 2.787 1.00 0.04 H new ATOM 0 HB3 LYS A 77 6.296 -12.254 3.270 1.00 0.04 H new ATOM 0 HG2 LYS A 77 4.781 -13.174 1.497 1.00 23.43 H new ATOM 0 HG3 LYS A 77 6.028 -14.312 1.026 1.00 23.43 H new ATOM 0 HD2 LYS A 77 5.969 -15.294 3.358 1.00 51.14 H new ATOM 0 HD3 LYS A 77 4.663 -14.198 3.763 1.00 51.14 H new ATOM 0 HE2 LYS A 77 3.256 -15.218 1.960 1.00 10.44 H new ATOM 0 HE3 LYS A 77 4.560 -16.322 1.572 1.00 10.44 H new ATOM 0 HZ1 LYS A 77 2.935 -17.357 3.016 1.00 41.01 H new ATOM 0 HZ2 LYS A 77 4.425 -17.226 3.820 1.00 41.01 H new ATOM 0 HZ3 LYS A 77 3.161 -16.156 4.195 1.00 41.01 H new ATOM 1092 N HIS A 78 8.773 -13.310 0.251 1.00 72.30 N ATOM 1093 CA HIS A 78 9.336 -14.081 -0.877 1.00 63.01 C ATOM 1094 C HIS A 78 8.532 -15.389 -1.119 1.00 62.21 C ATOM 1095 O HIS A 78 8.395 -16.219 -0.213 1.00 1.43 O ATOM 1096 CB HIS A 78 10.830 -14.391 -0.605 1.00 22.31 C ATOM 1097 CG HIS A 78 11.649 -13.168 -0.265 1.00 2.10 C ATOM 1098 ND1 HIS A 78 12.709 -13.189 0.608 1.00 43.24 N ATOM 1099 CD2 HIS A 78 11.541 -11.882 -0.681 1.00 63.24 C ATOM 1100 CE1 HIS A 78 13.212 -11.977 0.720 1.00 50.43 C ATOM 1101 NE2 HIS A 78 12.520 -11.158 -0.047 1.00 24.22 N ATOM 0 H HIS A 78 9.256 -13.462 1.137 1.00 72.30 H new ATOM 0 HA HIS A 78 9.260 -13.480 -1.783 1.00 63.01 H new ATOM 0 HB2 HIS A 78 10.901 -15.105 0.216 1.00 22.31 H new ATOM 0 HB3 HIS A 78 11.259 -14.872 -1.484 1.00 22.31 H new ATOM 0 HD2 HIS A 78 10.816 -11.497 -1.383 1.00 63.24 H new ATOM 0 HE1 HIS A 78 14.053 -11.700 1.338 1.00 50.43 H new ATOM 0 HE2 HIS A 78 12.684 -10.157 -0.152 1.00 24.22 H new ATOM 1110 N GLY A 79 8.009 -15.549 -2.348 1.00 64.10 N ATOM 1111 CA GLY A 79 7.320 -16.778 -2.777 1.00 45.25 C ATOM 1112 C GLY A 79 8.129 -17.519 -3.843 1.00 22.41 C ATOM 1113 O GLY A 79 7.570 -18.105 -4.779 1.00 23.41 O ATOM 0 H GLY A 79 8.052 -14.830 -3.071 1.00 64.10 H new ATOM 0 HA2 GLY A 79 7.163 -17.429 -1.917 1.00 45.25 H new ATOM 0 HA3 GLY A 79 6.335 -16.528 -3.172 1.00 45.25 H new ATOM 1117 N LEU A 80 9.463 -17.476 -3.679 1.00 63.41 N ATOM 1118 CA LEU A 80 10.436 -17.987 -4.661 1.00 42.22 C ATOM 1119 C LEU A 80 10.389 -19.536 -4.745 1.00 15.25 C ATOM 1120 O LEU A 80 10.802 -20.239 -3.819 1.00 1.05 O ATOM 1121 CB LEU A 80 11.863 -17.449 -4.292 1.00 71.31 C ATOM 1122 CG LEU A 80 13.018 -17.591 -5.361 1.00 22.42 C ATOM 1123 CD1 LEU A 80 13.618 -19.020 -5.433 1.00 63.04 C ATOM 1124 CD2 LEU A 80 12.541 -17.121 -6.759 1.00 73.24 C ATOM 0 H LEU A 80 9.902 -17.079 -2.848 1.00 63.41 H new ATOM 0 HA LEU A 80 10.179 -17.625 -5.656 1.00 42.22 H new ATOM 0 HB2 LEU A 80 11.766 -16.392 -4.046 1.00 71.31 H new ATOM 0 HB3 LEU A 80 12.186 -17.959 -3.384 1.00 71.31 H new ATOM 0 HG LEU A 80 13.824 -16.938 -5.025 1.00 22.42 H new ATOM 0 HD11 LEU A 80 14.405 -19.047 -6.187 1.00 63.04 H new ATOM 0 HD12 LEU A 80 14.035 -19.289 -4.463 1.00 63.04 H new ATOM 0 HD13 LEU A 80 12.836 -19.730 -5.700 1.00 63.04 H new ATOM 0 HD21 LEU A 80 13.355 -17.229 -7.476 1.00 73.24 H new ATOM 0 HD22 LEU A 80 11.694 -17.728 -7.077 1.00 73.24 H new ATOM 0 HD23 LEU A 80 12.239 -16.075 -6.708 1.00 73.24 H new ATOM 1136 N GLU A 81 9.842 -20.038 -5.855 1.00 64.41 N ATOM 1137 CA GLU A 81 9.849 -21.467 -6.210 1.00 43.11 C ATOM 1138 C GLU A 81 10.111 -21.596 -7.727 1.00 53.23 C ATOM 1139 O GLU A 81 9.590 -20.791 -8.513 1.00 3.03 O ATOM 1140 CB GLU A 81 8.498 -22.122 -5.802 1.00 71.35 C ATOM 1141 CG GLU A 81 8.433 -23.654 -6.002 1.00 32.52 C ATOM 1142 CD GLU A 81 7.145 -24.279 -5.437 1.00 14.31 C ATOM 1143 OE1 GLU A 81 7.040 -24.418 -4.198 1.00 60.33 O ATOM 1144 OE2 GLU A 81 6.230 -24.627 -6.217 1.00 4.41 O ATOM 0 H GLU A 81 9.372 -19.455 -6.548 1.00 64.41 H new ATOM 0 HA GLU A 81 10.639 -21.991 -5.672 1.00 43.11 H new ATOM 0 HB2 GLU A 81 8.304 -21.898 -4.753 1.00 71.35 H new ATOM 0 HB3 GLU A 81 7.697 -21.660 -6.380 1.00 71.35 H new ATOM 0 HG2 GLU A 81 8.503 -23.879 -7.066 1.00 32.52 H new ATOM 0 HG3 GLU A 81 9.296 -24.115 -5.521 1.00 32.52 H new ATOM 1151 N HIS A 82 10.935 -22.592 -8.128 1.00 15.33 N ATOM 1152 CA HIS A 82 11.326 -22.800 -9.551 1.00 62.33 C ATOM 1153 C HIS A 82 10.096 -23.143 -10.436 1.00 41.11 C ATOM 1154 O HIS A 82 9.131 -23.719 -9.933 1.00 4.14 O ATOM 1155 CB HIS A 82 12.399 -23.913 -9.667 1.00 54.31 C ATOM 1156 CG HIS A 82 13.655 -23.651 -8.873 1.00 41.54 C ATOM 1157 ND1 HIS A 82 14.699 -22.875 -9.335 1.00 73.22 N ATOM 1158 CD2 HIS A 82 14.024 -24.056 -7.632 1.00 2.13 C ATOM 1159 CE1 HIS A 82 15.644 -22.821 -8.420 1.00 14.44 C ATOM 1160 NE2 HIS A 82 15.262 -23.529 -7.381 1.00 43.23 N ATOM 0 H HIS A 82 11.346 -23.270 -7.486 1.00 15.33 H new ATOM 0 HA HIS A 82 11.750 -21.864 -9.915 1.00 62.33 H new ATOM 0 HB2 HIS A 82 11.964 -24.856 -9.336 1.00 54.31 H new ATOM 0 HB3 HIS A 82 12.666 -24.036 -10.717 1.00 54.31 H new ATOM 0 HD2 HIS A 82 13.447 -24.679 -6.965 1.00 2.13 H new ATOM 0 HE1 HIS A 82 16.577 -22.285 -8.509 1.00 14.44 H new ATOM 0 HE2 HIS A 82 15.801 -23.664 -6.526 1.00 43.23 H new ATOM 1169 N HIS A 83 10.175 -22.775 -11.743 1.00 12.02 N ATOM 1170 CA HIS A 83 9.088 -22.944 -12.761 1.00 53.51 C ATOM 1171 C HIS A 83 8.330 -24.307 -12.649 1.00 4.10 C ATOM 1172 O HIS A 83 8.751 -25.336 -13.189 1.00 4.32 O ATOM 1173 CB HIS A 83 9.668 -22.721 -14.197 1.00 2.13 C ATOM 1174 CG HIS A 83 11.015 -23.360 -14.466 1.00 11.52 C ATOM 1175 ND1 HIS A 83 11.342 -24.646 -14.088 1.00 75.03 N ATOM 1176 CD2 HIS A 83 12.130 -22.864 -15.065 1.00 1.12 C ATOM 1177 CE1 HIS A 83 12.581 -24.906 -14.435 1.00 14.32 C ATOM 1178 NE2 HIS A 83 13.081 -23.849 -15.030 1.00 1.50 N ATOM 0 H HIS A 83 11.013 -22.342 -12.133 1.00 12.02 H new ATOM 0 HA HIS A 83 8.334 -22.184 -12.555 1.00 53.51 H new ATOM 0 HB2 HIS A 83 8.952 -23.107 -14.922 1.00 2.13 H new ATOM 0 HB3 HIS A 83 9.753 -21.649 -14.372 1.00 2.13 H new ATOM 0 HD1 HIS A 83 10.716 -25.296 -13.612 1.00 75.03 H new ATOM 0 HD2 HIS A 83 12.245 -21.877 -15.489 1.00 1.12 H new ATOM 0 HE1 HIS A 83 13.102 -25.836 -14.260 1.00 14.32 H new ATOM 1187 N HIS A 84 7.199 -24.272 -11.926 1.00 41.04 N ATOM 1188 CA HIS A 84 6.469 -25.477 -11.469 1.00 53.55 C ATOM 1189 C HIS A 84 5.121 -25.647 -12.200 1.00 71.51 C ATOM 1190 O HIS A 84 4.359 -24.689 -12.355 1.00 21.12 O ATOM 1191 CB HIS A 84 6.260 -25.413 -9.929 1.00 41.41 C ATOM 1192 CG HIS A 84 5.591 -24.152 -9.419 1.00 74.24 C ATOM 1193 ND1 HIS A 84 4.257 -24.088 -9.072 1.00 32.41 N ATOM 1194 CD2 HIS A 84 6.089 -22.911 -9.169 1.00 65.23 C ATOM 1195 CE1 HIS A 84 3.969 -22.877 -8.641 1.00 0.51 C ATOM 1196 NE2 HIS A 84 5.060 -22.150 -8.689 1.00 13.02 N ATOM 0 H HIS A 84 6.757 -23.400 -11.637 1.00 41.04 H new ATOM 0 HA HIS A 84 7.074 -26.351 -11.713 1.00 53.55 H new ATOM 0 HB2 HIS A 84 5.661 -26.271 -9.624 1.00 41.41 H new ATOM 0 HB3 HIS A 84 7.230 -25.512 -9.443 1.00 41.41 H new ATOM 0 HD2 HIS A 84 7.108 -22.587 -9.321 1.00 65.23 H new ATOM 0 HE1 HIS A 84 2.999 -22.540 -8.305 1.00 0.51 H new ATOM 0 HE2 HIS A 84 5.129 -21.171 -8.412 1.00 13.02 H new ATOM 1205 N HIS A 85 4.839 -26.887 -12.644 1.00 70.54 N ATOM 1206 CA HIS A 85 3.579 -27.243 -13.338 1.00 14.03 C ATOM 1207 C HIS A 85 2.867 -28.409 -12.612 1.00 43.31 C ATOM 1208 O HIS A 85 3.230 -29.580 -12.758 1.00 22.23 O ATOM 1209 CB HIS A 85 3.854 -27.570 -14.827 1.00 21.43 C ATOM 1210 CG HIS A 85 4.239 -26.360 -15.645 1.00 3.53 C ATOM 1211 ND1 HIS A 85 3.313 -25.551 -16.265 1.00 2.13 N ATOM 1212 CD2 HIS A 85 5.446 -25.801 -15.910 1.00 2.41 C ATOM 1213 CE1 HIS A 85 3.926 -24.557 -16.866 1.00 34.04 C ATOM 1214 NE2 HIS A 85 5.220 -24.684 -16.668 1.00 30.31 N ATOM 0 H HIS A 85 5.478 -27.674 -12.533 1.00 70.54 H new ATOM 0 HA HIS A 85 2.907 -26.385 -13.310 1.00 14.03 H new ATOM 0 HB2 HIS A 85 4.652 -28.309 -14.888 1.00 21.43 H new ATOM 0 HB3 HIS A 85 2.964 -28.025 -15.262 1.00 21.43 H new ATOM 0 HD2 HIS A 85 6.407 -26.169 -15.583 1.00 2.41 H new ATOM 0 HE1 HIS A 85 3.448 -23.768 -17.428 1.00 34.04 H new ATOM 0 HE2 HIS A 85 5.939 -24.053 -17.022 1.00 30.31 H new ATOM 1223 N HIS A 86 1.878 -28.042 -11.779 1.00 71.31 N ATOM 1224 CA HIS A 86 1.011 -28.976 -11.015 1.00 13.13 C ATOM 1225 C HIS A 86 -0.472 -28.534 -11.153 1.00 4.12 C ATOM 1226 O HIS A 86 -0.763 -27.517 -11.795 1.00 4.22 O ATOM 1227 CB HIS A 86 1.432 -29.002 -9.513 1.00 51.51 C ATOM 1228 CG HIS A 86 2.841 -29.479 -9.263 1.00 23.34 C ATOM 1229 ND1 HIS A 86 3.179 -30.813 -9.157 1.00 21.10 N ATOM 1230 CD2 HIS A 86 4.006 -28.796 -9.110 1.00 12.00 C ATOM 1231 CE1 HIS A 86 4.473 -30.926 -8.952 1.00 21.11 C ATOM 1232 NE2 HIS A 86 5.000 -29.723 -8.921 1.00 55.21 N ATOM 0 H HIS A 86 1.648 -27.063 -11.609 1.00 71.31 H new ATOM 0 HA HIS A 86 1.125 -29.982 -11.419 1.00 13.13 H new ATOM 0 HB2 HIS A 86 1.324 -27.998 -9.102 1.00 51.51 H new ATOM 0 HB3 HIS A 86 0.742 -29.646 -8.967 1.00 51.51 H new ATOM 0 HD2 HIS A 86 4.127 -27.723 -9.133 1.00 12.00 H new ATOM 0 HE1 HIS A 86 5.013 -31.853 -8.830 1.00 21.11 H new ATOM 0 HE2 HIS A 86 5.988 -29.512 -8.779 1.00 55.21 H new ATOM 1241 N HIS A 87 -1.409 -29.297 -10.554 1.00 62.12 N ATOM 1242 CA HIS A 87 -2.856 -28.978 -10.607 1.00 1.21 C ATOM 1243 C HIS A 87 -3.563 -29.498 -9.337 1.00 70.35 C ATOM 1244 O HIS A 87 -4.605 -28.977 -8.923 1.00 74.32 O ATOM 1245 CB HIS A 87 -3.478 -29.591 -11.894 1.00 52.20 C ATOM 1246 CG HIS A 87 -4.888 -29.150 -12.204 1.00 2.14 C ATOM 1247 ND1 HIS A 87 -5.174 -28.007 -12.917 1.00 72.42 N ATOM 1248 CD2 HIS A 87 -6.094 -29.709 -11.914 1.00 15.31 C ATOM 1249 CE1 HIS A 87 -6.475 -27.884 -13.052 1.00 21.54 C ATOM 1250 NE2 HIS A 87 -7.057 -28.899 -12.455 1.00 31.20 N ATOM 0 H HIS A 87 -1.191 -30.142 -10.026 1.00 62.12 H new ATOM 0 HA HIS A 87 -2.991 -27.897 -10.642 1.00 1.21 H new ATOM 0 HB2 HIS A 87 -2.841 -29.337 -12.741 1.00 52.20 H new ATOM 0 HB3 HIS A 87 -3.467 -30.677 -11.801 1.00 52.20 H new ATOM 0 HD2 HIS A 87 -6.261 -30.621 -11.360 1.00 15.31 H new ATOM 0 HE1 HIS A 87 -6.982 -27.082 -13.568 1.00 21.54 H new ATOM 0 HE2 HIS A 87 -8.063 -29.058 -12.403 1.00 31.20 H new TER 1259 HIS A 87