USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 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 7 THR OG1 : rot -26:sc= -0.998! USER MOD Set 1.2: A 91 THR OG1 : rot -71:sc= 0.474 USER MOD Set 2.1: A 13 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3) USER MOD Set 2.2: A 16 HIS : no HD1:sc=-0.00412 X(o=-1.3,f=-1.5) USER MOD Single : A 1 VAL N :NH3+ -105:sc= -1.12 (180deg=-3.92!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 79:sc= 0.381 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -57:sc= 0.941 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -137:sc= -0.386 (180deg=-1.33!) USER MOD Single : A 36 HIS : no HD1:sc= -0.077 K(o=-0.077,f=-0.66) USER MOD Single : A 38 SER OG : rot 180:sc= 0.361 USER MOD Single : A 44 MET CE :methyl -123:sc= -2.17 (180deg=-4.94!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.992 X(o=-0.99,f=-0.68) USER MOD Single : A 70 THR OG1 : rot -84:sc= 0.8 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.286) USER MOD Single : A 76 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0162) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 92 TYR OH : rot 80:sc= 0.667 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.976 11.371 24.251 1.00 0.00 N ATOM 2 CA VAL A 1 3.059 11.278 25.736 1.00 0.00 C ATOM 3 C VAL A 1 3.575 12.590 26.316 1.00 0.00 C ATOM 4 O VAL A 1 4.648 12.633 26.917 1.00 0.00 O ATOM 5 CB VAL A 1 3.979 10.134 26.159 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.387 10.348 25.609 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.010 10.006 27.679 1.00 0.00 C ATOM 0 H1 VAL A 1 1.981 11.473 23.965 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.517 12.197 23.924 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.372 10.508 23.826 1.00 0.00 H new ATOM 0 HA VAL A 1 2.058 11.081 26.120 1.00 0.00 H new ATOM 0 HB VAL A 1 3.586 9.205 25.745 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.028 9.524 25.920 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.350 10.388 24.520 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.789 11.285 25.993 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.670 9.186 27.962 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.378 10.935 28.115 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.004 9.805 28.048 1.00 0.00 H new ATOM 19 N PRO A 2 2.812 13.684 26.142 1.00 0.00 N ATOM 20 CA PRO A 2 3.197 15.008 26.651 1.00 0.00 C ATOM 21 C PRO A 2 2.998 15.125 28.157 1.00 0.00 C ATOM 22 O PRO A 2 1.875 15.032 28.654 1.00 0.00 O ATOM 23 CB PRO A 2 2.279 15.969 25.911 1.00 0.00 C ATOM 24 CG PRO A 2 1.078 15.164 25.533 1.00 0.00 C ATOM 25 CD PRO A 2 1.519 13.722 25.437 1.00 0.00 C ATOM 0 HA PRO A 2 4.255 15.212 26.486 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.003 16.813 26.543 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.770 16.379 25.029 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.290 15.276 26.277 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.670 15.506 24.582 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.794 13.053 25.901 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.624 13.407 24.399 1.00 0.00 H new ATOM 33 N LYS A 3 4.094 15.330 28.880 1.00 0.00 N ATOM 34 CA LYS A 3 4.042 15.461 30.333 1.00 0.00 C ATOM 35 C LYS A 3 5.104 16.436 30.814 1.00 0.00 C ATOM 36 O LYS A 3 5.609 16.315 31.930 1.00 0.00 O ATOM 37 CB LYS A 3 4.264 14.102 30.983 1.00 0.00 C ATOM 38 CG LYS A 3 3.011 13.235 30.902 1.00 0.00 C ATOM 39 CD LYS A 3 3.201 11.922 31.655 1.00 0.00 C ATOM 40 CE LYS A 3 2.144 10.897 31.254 1.00 0.00 C ATOM 41 NZ LYS A 3 2.272 9.648 32.056 1.00 0.00 N ATOM 0 H LYS A 3 5.030 15.409 28.484 1.00 0.00 H new ATOM 0 HA LYS A 3 3.060 15.841 30.614 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.093 13.593 30.491 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.547 14.238 32.027 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.162 13.777 31.319 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.775 13.028 29.858 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.194 11.523 31.450 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.146 12.104 32.728 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.150 11.322 31.394 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.244 10.663 30.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.541 8.970 31.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.212 9.232 31.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.152 9.870 33.065 1.00 0.00 H new ATOM 55 N VAL A 4 5.437 17.399 29.959 1.00 0.00 N ATOM 56 CA VAL A 4 6.445 18.413 30.269 1.00 0.00 C ATOM 57 C VAL A 4 7.676 17.783 30.909 1.00 0.00 C ATOM 58 O VAL A 4 7.803 16.560 30.969 1.00 0.00 O ATOM 59 CB VAL A 4 5.856 19.480 31.190 1.00 0.00 C ATOM 60 CG1 VAL A 4 4.629 20.120 30.548 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.501 18.893 32.553 1.00 0.00 C ATOM 0 H VAL A 4 5.018 17.500 29.034 1.00 0.00 H new ATOM 0 HA VAL A 4 6.752 18.883 29.335 1.00 0.00 H new ATOM 0 HB VAL A 4 6.612 20.250 31.341 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.222 20.878 31.217 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.913 20.585 29.604 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.874 19.355 30.364 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.084 19.674 33.188 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.766 18.098 32.426 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.399 18.487 33.019 1.00 0.00 H new ATOM 71 N THR A 5 8.584 18.628 31.376 1.00 0.00 N ATOM 72 CA THR A 5 9.812 18.159 32.007 1.00 0.00 C ATOM 73 C THR A 5 10.599 19.330 32.579 1.00 0.00 C ATOM 74 O THR A 5 10.735 20.373 31.940 1.00 0.00 O ATOM 75 CB THR A 5 10.667 17.408 30.990 1.00 0.00 C ATOM 76 OG1 THR A 5 10.348 17.839 29.675 1.00 0.00 O ATOM 77 CG2 THR A 5 10.456 15.901 31.111 1.00 0.00 C ATOM 0 H THR A 5 8.494 19.643 31.330 1.00 0.00 H new ATOM 0 HA THR A 5 9.547 17.485 32.822 1.00 0.00 H new ATOM 0 HB THR A 5 11.715 17.626 31.195 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.902 17.354 29.028 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.076 15.387 30.376 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.734 15.574 32.113 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.407 15.665 30.930 1.00 0.00 H new ATOM 85 N PHE A 6 11.119 19.149 33.788 1.00 0.00 N ATOM 86 CA PHE A 6 11.899 20.186 34.455 1.00 0.00 C ATOM 87 C PHE A 6 13.380 19.830 34.417 1.00 0.00 C ATOM 88 O PHE A 6 13.750 18.730 34.008 1.00 0.00 O ATOM 89 CB PHE A 6 11.432 20.339 35.899 1.00 0.00 C ATOM 90 CG PHE A 6 10.010 20.831 36.007 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.963 20.020 35.603 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.750 22.095 36.510 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.657 20.473 35.701 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.445 22.547 36.608 1.00 0.00 C ATOM 95 CZ PHE A 6 7.398 21.736 36.204 1.00 0.00 C ATOM 0 H PHE A 6 11.014 18.290 34.328 1.00 0.00 H new ATOM 0 HA PHE A 6 11.752 21.132 33.934 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.518 19.379 36.407 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.092 21.034 36.417 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.164 19.034 35.211 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.566 22.728 36.826 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.841 19.840 35.385 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.244 23.533 37.000 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.380 22.089 36.281 1.00 0.00 H new ATOM 105 N THR A 7 14.225 20.763 34.845 1.00 0.00 N ATOM 106 CA THR A 7 15.668 20.539 34.856 1.00 0.00 C ATOM 107 C THR A 7 16.364 21.596 35.703 1.00 0.00 C ATOM 108 O THR A 7 16.377 22.776 35.354 1.00 0.00 O ATOM 109 CB THR A 7 16.212 20.578 33.430 1.00 0.00 C ATOM 110 OG1 THR A 7 15.433 19.742 32.589 1.00 0.00 O ATOM 111 CG2 THR A 7 17.673 20.138 33.394 1.00 0.00 C ATOM 0 H THR A 7 13.937 21.679 35.188 1.00 0.00 H new ATOM 0 HA THR A 7 15.864 19.558 35.289 1.00 0.00 H new ATOM 0 HB THR A 7 16.153 21.605 33.069 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.011 19.040 33.126 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.039 20.174 32.368 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.270 20.806 34.015 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.756 19.119 33.773 1.00 0.00 H new ATOM 119 N VAL A 8 16.943 21.163 36.817 1.00 0.00 N ATOM 120 CA VAL A 8 17.644 22.070 37.718 1.00 0.00 C ATOM 121 C VAL A 8 18.765 22.790 36.980 1.00 0.00 C ATOM 122 O VAL A 8 19.907 22.332 36.965 1.00 0.00 O ATOM 123 CB VAL A 8 18.211 21.289 38.900 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.988 22.213 39.834 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.088 20.585 39.656 1.00 0.00 C ATOM 0 H VAL A 8 16.941 20.188 37.118 1.00 0.00 H new ATOM 0 HA VAL A 8 16.938 22.814 38.087 1.00 0.00 H new ATOM 0 HB VAL A 8 18.899 20.535 38.517 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.384 21.636 40.670 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.812 22.673 39.288 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.324 22.991 40.212 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.506 20.032 40.497 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.379 21.325 40.026 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.576 19.894 38.986 1.00 0.00 H new ATOM 135 N GLU A 9 18.429 23.921 36.368 1.00 0.00 N ATOM 136 CA GLU A 9 19.405 24.711 35.625 1.00 0.00 C ATOM 137 C GLU A 9 20.542 25.146 36.541 1.00 0.00 C ATOM 138 O GLU A 9 20.444 25.036 37.763 1.00 0.00 O ATOM 139 CB GLU A 9 18.729 25.937 35.018 1.00 0.00 C ATOM 140 CG GLU A 9 18.009 25.587 33.718 1.00 0.00 C ATOM 141 CD GLU A 9 18.824 26.060 32.522 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.008 25.678 32.421 1.00 0.00 O ATOM 143 OE2 GLU A 9 18.277 26.812 31.689 1.00 0.00 O ATOM 0 H GLU A 9 17.487 24.312 36.372 1.00 0.00 H new ATOM 0 HA GLU A 9 19.816 24.096 34.824 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.016 26.352 35.731 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.475 26.709 34.827 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.854 24.510 33.658 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.023 26.052 33.703 1.00 0.00 H new ATOM 150 N LYS A 10 21.621 25.640 35.942 1.00 0.00 N ATOM 151 CA LYS A 10 22.780 26.094 36.704 1.00 0.00 C ATOM 152 C LYS A 10 22.395 27.254 37.614 1.00 0.00 C ATOM 153 O LYS A 10 21.336 27.860 37.449 1.00 0.00 O ATOM 154 CB LYS A 10 23.891 26.527 35.753 1.00 0.00 C ATOM 155 CG LYS A 10 24.527 25.325 35.061 1.00 0.00 C ATOM 156 CD LYS A 10 24.069 25.217 33.609 1.00 0.00 C ATOM 157 CE LYS A 10 24.631 23.965 32.942 1.00 0.00 C ATOM 158 NZ LYS A 10 25.358 24.301 31.685 1.00 0.00 N ATOM 0 H LYS A 10 21.717 25.736 34.931 1.00 0.00 H new ATOM 0 HA LYS A 10 23.138 25.269 37.320 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.487 27.209 35.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.653 27.076 36.306 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.613 25.414 35.097 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.264 24.413 35.597 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.980 25.195 33.570 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.390 26.101 33.058 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.306 23.456 33.630 1.00 0.00 H new ATOM 0 HE3 LYS A 10 23.819 23.272 32.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.728 23.430 31.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 24.706 24.765 31.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.147 24.943 31.901 1.00 0.00 H new ATOM 172 N GLY A 11 23.262 27.559 38.573 1.00 0.00 N ATOM 173 CA GLY A 11 23.015 28.648 39.512 1.00 0.00 C ATOM 174 C GLY A 11 22.063 28.206 40.616 1.00 0.00 C ATOM 175 O GLY A 11 21.246 28.991 41.095 1.00 0.00 O ATOM 0 H GLY A 11 24.143 27.067 38.721 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.957 28.978 39.949 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.593 29.502 38.982 1.00 0.00 H new ATOM 179 N SER A 12 22.173 26.943 41.016 1.00 0.00 N ATOM 180 CA SER A 12 21.321 26.394 42.064 1.00 0.00 C ATOM 181 C SER A 12 22.032 26.453 43.411 1.00 0.00 C ATOM 182 O SER A 12 23.050 25.793 43.615 1.00 0.00 O ATOM 183 CB SER A 12 20.958 24.951 41.732 1.00 0.00 C ATOM 184 OG SER A 12 20.164 24.895 40.557 1.00 0.00 O ATOM 0 H SER A 12 22.845 26.280 40.629 1.00 0.00 H new ATOM 0 HA SER A 12 20.410 26.989 42.123 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.866 24.364 41.592 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.416 24.505 42.566 1.00 0.00 H new ATOM 0 HG SER A 12 20.740 24.983 39.769 1.00 0.00 H new ATOM 190 N ASN A 13 21.489 27.249 44.327 1.00 0.00 N ATOM 191 CA ASN A 13 22.071 27.396 45.658 1.00 0.00 C ATOM 192 C ASN A 13 21.352 26.490 46.650 1.00 0.00 C ATOM 193 O ASN A 13 20.565 25.628 46.259 1.00 0.00 O ATOM 194 CB ASN A 13 21.973 28.849 46.120 1.00 0.00 C ATOM 195 CG ASN A 13 22.330 29.798 44.982 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.712 30.851 44.821 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.330 29.425 44.191 1.00 0.00 N ATOM 0 H ASN A 13 20.646 27.803 44.172 1.00 0.00 H new ATOM 0 HA ASN A 13 23.121 27.109 45.611 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.962 29.057 46.471 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.644 29.014 46.963 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.614 30.020 43.413 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.814 28.544 44.362 1.00 0.00 H new ATOM 204 N GLU A 14 21.625 26.691 47.935 1.00 0.00 N ATOM 205 CA GLU A 14 21.001 25.893 48.985 1.00 0.00 C ATOM 206 C GLU A 14 19.518 26.224 49.090 1.00 0.00 C ATOM 207 O GLU A 14 18.714 25.391 49.510 1.00 0.00 O ATOM 208 CB GLU A 14 21.687 26.160 50.322 1.00 0.00 C ATOM 209 CG GLU A 14 23.194 25.937 50.225 1.00 0.00 C ATOM 210 CD GLU A 14 23.488 24.513 49.773 1.00 0.00 C ATOM 211 OE1 GLU A 14 22.751 23.592 50.185 1.00 0.00 O ATOM 212 OE2 GLU A 14 24.456 24.319 49.007 1.00 0.00 O ATOM 0 H GLU A 14 22.275 27.400 48.275 1.00 0.00 H new ATOM 0 HA GLU A 14 21.109 24.838 48.732 1.00 0.00 H new ATOM 0 HB2 GLU A 14 21.488 27.184 50.637 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.268 25.504 51.086 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.629 26.647 49.521 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.659 26.122 51.193 1.00 0.00 H new ATOM 219 N LYS A 15 19.160 27.446 48.706 1.00 0.00 N ATOM 220 CA LYS A 15 17.771 27.889 48.760 1.00 0.00 C ATOM 221 C LYS A 15 17.234 28.147 47.356 1.00 0.00 C ATOM 222 O LYS A 15 16.042 27.978 47.099 1.00 0.00 O ATOM 223 CB LYS A 15 17.662 29.159 49.600 1.00 0.00 C ATOM 224 CG LYS A 15 18.598 30.249 49.082 1.00 0.00 C ATOM 225 CD LYS A 15 19.903 30.276 49.870 1.00 0.00 C ATOM 226 CE LYS A 15 19.794 31.193 51.085 1.00 0.00 C ATOM 227 NZ LYS A 15 21.136 31.658 51.535 1.00 0.00 N ATOM 0 H LYS A 15 19.813 28.147 48.354 1.00 0.00 H new ATOM 0 HA LYS A 15 17.174 27.101 49.220 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.634 29.521 49.584 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.904 28.933 50.638 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.811 30.078 48.027 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.106 31.219 49.155 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.156 29.267 50.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.713 30.616 49.225 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.172 32.054 50.839 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.298 30.664 51.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.029 32.279 52.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.720 30.837 51.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.598 32.183 50.765 1.00 0.00 H new ATOM 241 N HIS A 16 18.117 28.557 46.450 1.00 0.00 N ATOM 242 CA HIS A 16 17.724 28.839 45.072 1.00 0.00 C ATOM 243 C HIS A 16 17.385 27.546 44.342 1.00 0.00 C ATOM 244 O HIS A 16 17.917 26.483 44.661 1.00 0.00 O ATOM 245 CB HIS A 16 18.851 29.568 44.345 1.00 0.00 C ATOM 246 CG HIS A 16 18.679 31.056 44.355 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.521 31.786 45.503 1.00 0.00 N ATOM 248 CD2 HIS A 16 18.639 31.969 43.350 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.390 33.065 45.234 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.457 33.216 43.921 1.00 0.00 N ATOM 0 H HIS A 16 19.108 28.701 46.644 1.00 0.00 H new ATOM 0 HA HIS A 16 16.839 29.475 45.086 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.803 29.313 44.811 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.898 29.219 43.313 1.00 0.00 H new ATOM 0 HD2 HIS A 16 18.732 31.759 42.295 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.252 33.855 45.957 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.387 34.100 43.417 1.00 0.00 H new ATOM 258 N LEU A 17 16.494 27.644 43.360 1.00 0.00 N ATOM 259 CA LEU A 17 16.081 26.480 42.582 1.00 0.00 C ATOM 260 C LEU A 17 15.669 26.897 41.176 1.00 0.00 C ATOM 261 O LEU A 17 14.509 27.226 40.928 1.00 0.00 O ATOM 262 CB LEU A 17 14.918 25.775 43.282 1.00 0.00 C ATOM 263 CG LEU A 17 14.954 24.260 43.069 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.640 23.913 41.616 1.00 0.00 C ATOM 265 CD2 LEU A 17 16.308 23.684 43.476 1.00 0.00 C ATOM 0 H LEU A 17 16.044 28.517 43.084 1.00 0.00 H new ATOM 0 HA LEU A 17 16.923 25.793 42.506 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.952 25.992 44.350 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.975 26.172 42.906 1.00 0.00 H new ATOM 0 HG LEU A 17 14.189 23.812 43.704 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.671 22.831 41.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.646 24.281 41.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.378 24.378 40.963 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.308 22.606 43.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.094 24.141 42.874 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.491 23.894 44.530 1.00 0.00 H new ATOM 277 N ALA A 18 16.630 26.876 40.256 1.00 0.00 N ATOM 278 CA ALA A 18 16.377 27.244 38.866 1.00 0.00 C ATOM 279 C ALA A 18 15.951 26.014 38.074 1.00 0.00 C ATOM 280 O ALA A 18 16.539 24.943 38.218 1.00 0.00 O ATOM 281 CB ALA A 18 17.636 27.847 38.251 1.00 0.00 C ATOM 0 H ALA A 18 17.595 26.607 40.449 1.00 0.00 H new ATOM 0 HA ALA A 18 15.577 27.983 38.834 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.440 28.119 37.214 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.925 28.736 38.811 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.445 27.117 38.288 1.00 0.00 H new ATOM 287 N VAL A 19 14.926 26.167 37.241 1.00 0.00 N ATOM 288 CA VAL A 19 14.430 25.054 36.435 1.00 0.00 C ATOM 289 C VAL A 19 14.116 25.510 35.016 1.00 0.00 C ATOM 290 O VAL A 19 13.497 26.552 34.808 1.00 0.00 O ATOM 291 CB VAL A 19 13.180 24.462 37.076 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.512 23.857 38.438 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.091 25.522 37.209 1.00 0.00 C ATOM 0 H VAL A 19 14.425 27.045 37.106 1.00 0.00 H new ATOM 0 HA VAL A 19 15.208 24.292 36.389 1.00 0.00 H new ATOM 0 HB VAL A 19 12.806 23.668 36.430 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.608 23.439 38.881 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.254 23.068 38.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.912 24.632 39.092 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.207 25.080 37.669 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.453 26.340 37.832 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.833 25.905 36.222 1.00 0.00 H new ATOM 303 N LEU A 20 14.546 24.716 34.042 1.00 0.00 N ATOM 304 CA LEU A 20 14.314 25.030 32.637 1.00 0.00 C ATOM 305 C LEU A 20 12.980 24.455 32.176 1.00 0.00 C ATOM 306 O LEU A 20 12.934 23.391 31.559 1.00 0.00 O ATOM 307 CB LEU A 20 15.445 24.461 31.785 1.00 0.00 C ATOM 308 CG LEU A 20 15.870 25.444 30.699 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.032 24.877 29.889 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.692 25.772 29.785 1.00 0.00 C ATOM 0 H LEU A 20 15.058 23.848 34.200 1.00 0.00 H new ATOM 0 HA LEU A 20 14.286 26.114 32.522 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.299 24.226 32.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.123 23.526 31.326 1.00 0.00 H new ATOM 0 HG LEU A 20 16.202 26.365 31.179 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.322 25.592 29.119 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.879 24.691 30.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.726 23.942 29.420 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.013 26.475 29.016 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.332 24.858 29.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.889 26.218 30.372 1.00 0.00 H new ATOM 322 N VAL A 21 11.896 25.163 32.478 1.00 0.00 N ATOM 323 CA VAL A 21 10.561 24.718 32.091 1.00 0.00 C ATOM 324 C VAL A 21 10.311 25.008 30.616 1.00 0.00 C ATOM 325 O VAL A 21 10.136 26.160 30.221 1.00 0.00 O ATOM 326 CB VAL A 21 9.505 25.416 32.946 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.114 24.879 32.618 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.811 25.237 34.430 1.00 0.00 C ATOM 0 H VAL A 21 11.915 26.046 32.989 1.00 0.00 H new ATOM 0 HA VAL A 21 10.494 23.642 32.253 1.00 0.00 H new ATOM 0 HB VAL A 21 9.527 26.482 32.718 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.373 25.387 33.236 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.894 25.058 31.566 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.081 23.808 32.818 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.048 25.741 35.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.817 24.175 34.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.787 25.667 34.655 1.00 0.00 H new ATOM 338 N LYS A 22 10.298 23.954 29.807 1.00 0.00 N ATOM 339 CA LYS A 22 10.070 24.089 28.371 1.00 0.00 C ATOM 340 C LYS A 22 9.874 22.718 27.736 1.00 0.00 C ATOM 341 O LYS A 22 10.415 21.720 28.212 1.00 0.00 O ATOM 342 CB LYS A 22 11.255 24.796 27.720 1.00 0.00 C ATOM 343 CG LYS A 22 10.910 26.240 27.368 1.00 0.00 C ATOM 344 CD LYS A 22 11.583 26.668 26.067 1.00 0.00 C ATOM 345 CE LYS A 22 10.596 27.369 25.138 1.00 0.00 C ATOM 346 NZ LYS A 22 11.302 28.086 24.040 1.00 0.00 N ATOM 0 H LYS A 22 10.443 22.994 30.121 1.00 0.00 H new ATOM 0 HA LYS A 22 9.169 24.682 28.214 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.109 24.778 28.397 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.551 24.260 26.818 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.829 26.345 27.273 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.225 26.899 28.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.415 27.336 26.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.000 25.794 25.566 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.909 26.636 24.714 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.995 28.076 25.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.605 28.552 23.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.939 28.801 24.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.856 27.406 23.481 1.00 0.00 H new ATOM 360 N TYR A 23 9.097 22.675 26.658 1.00 0.00 N ATOM 361 CA TYR A 23 8.829 21.422 25.958 1.00 0.00 C ATOM 362 C TYR A 23 8.195 21.695 24.599 1.00 0.00 C ATOM 363 O TYR A 23 7.396 20.899 24.105 1.00 0.00 O ATOM 364 CB TYR A 23 7.903 20.546 26.796 1.00 0.00 C ATOM 365 CG TYR A 23 6.738 21.304 27.368 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.902 22.068 28.509 1.00 0.00 C ATOM 367 CD2 TYR A 23 5.501 21.234 26.756 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.829 22.763 29.036 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.428 21.928 27.283 1.00 0.00 C ATOM 370 CZ TYR A 23 4.595 22.689 28.421 1.00 0.00 C ATOM 371 OH TYR A 23 3.526 23.380 28.945 1.00 0.00 O ATOM 0 H TYR A 23 8.642 23.492 26.250 1.00 0.00 H new ATOM 0 HA TYR A 23 9.774 20.901 25.804 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.530 19.728 26.180 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.473 20.098 27.610 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.868 22.122 28.989 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.373 20.637 25.865 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.956 23.362 29.926 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.461 21.874 26.805 1.00 0.00 H new ATOM 0 HH TYR A 23 3.383 23.106 29.875 1.00 0.00 H new ATOM 381 N GLU A 24 8.555 22.825 23.996 1.00 0.00 N ATOM 382 CA GLU A 24 8.021 23.203 22.691 1.00 0.00 C ATOM 383 C GLU A 24 6.500 23.116 22.691 1.00 0.00 C ATOM 384 O GLU A 24 5.876 22.984 23.744 1.00 0.00 O ATOM 385 CB GLU A 24 8.593 22.289 21.611 1.00 0.00 C ATOM 386 CG GLU A 24 9.324 23.089 20.537 1.00 0.00 C ATOM 387 CD GLU A 24 9.292 22.344 19.209 1.00 0.00 C ATOM 388 OE1 GLU A 24 9.876 21.242 19.131 1.00 0.00 O ATOM 389 OE2 GLU A 24 8.684 22.862 18.249 1.00 0.00 O ATOM 0 H GLU A 24 9.215 23.495 24.391 1.00 0.00 H new ATOM 0 HA GLU A 24 8.311 24.233 22.481 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.279 21.573 22.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.787 21.714 21.154 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.859 24.068 20.424 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.357 23.260 20.841 1.00 0.00 H new ATOM 396 N GLY A 25 5.908 23.189 21.504 1.00 0.00 N ATOM 397 CA GLY A 25 4.457 23.116 21.364 1.00 0.00 C ATOM 398 C GLY A 25 3.787 24.294 22.058 1.00 0.00 C ATOM 399 O GLY A 25 3.403 25.270 21.413 1.00 0.00 O ATOM 0 H GLY A 25 6.411 23.299 20.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.189 23.110 20.307 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.093 22.182 21.791 1.00 0.00 H new ATOM 403 N ASP A 26 3.650 24.199 23.376 1.00 0.00 N ATOM 404 CA ASP A 26 3.026 25.259 24.160 1.00 0.00 C ATOM 405 C ASP A 26 3.945 26.471 24.237 1.00 0.00 C ATOM 406 O ASP A 26 5.047 26.460 23.687 1.00 0.00 O ATOM 407 CB ASP A 26 2.713 24.751 25.565 1.00 0.00 C ATOM 408 CG ASP A 26 1.215 24.826 25.831 1.00 0.00 C ATOM 409 OD1 ASP A 26 0.596 25.848 25.468 1.00 0.00 O ATOM 410 OD2 ASP A 26 0.663 23.862 26.402 1.00 0.00 O ATOM 0 H ASP A 26 3.963 23.398 23.925 1.00 0.00 H new ATOM 0 HA ASP A 26 2.097 25.555 23.673 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.058 23.723 25.673 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.251 25.346 26.303 1.00 0.00 H new ATOM 415 N THR A 27 3.488 27.516 24.919 1.00 0.00 N ATOM 416 CA THR A 27 4.273 28.737 25.063 1.00 0.00 C ATOM 417 C THR A 27 4.520 29.039 26.537 1.00 0.00 C ATOM 418 O THR A 27 4.177 28.241 27.410 1.00 0.00 O ATOM 419 CB THR A 27 3.549 29.908 24.400 1.00 0.00 C ATOM 420 OG1 THR A 27 2.359 29.455 23.772 1.00 0.00 O ATOM 421 CG2 THR A 27 4.452 30.590 23.377 1.00 0.00 C ATOM 0 H THR A 27 2.579 27.542 25.380 1.00 0.00 H new ATOM 0 HA THR A 27 5.235 28.593 24.572 1.00 0.00 H new ATOM 0 HB THR A 27 3.290 30.633 25.172 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.902 30.213 23.352 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.917 31.421 22.917 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.347 30.965 23.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.738 29.872 22.608 1.00 0.00 H new ATOM 429 N MET A 28 5.122 30.194 26.808 1.00 0.00 N ATOM 430 CA MET A 28 5.424 30.601 28.178 1.00 0.00 C ATOM 431 C MET A 28 4.628 31.842 28.558 1.00 0.00 C ATOM 432 O MET A 28 4.732 32.881 27.906 1.00 0.00 O ATOM 433 CB MET A 28 6.912 30.891 28.314 1.00 0.00 C ATOM 434 CG MET A 28 7.754 29.701 27.863 1.00 0.00 C ATOM 435 SD MET A 28 9.432 30.177 27.417 1.00 0.00 S ATOM 436 CE MET A 28 9.113 31.301 26.047 1.00 0.00 C ATOM 0 H MET A 28 5.411 30.865 26.097 1.00 0.00 H new ATOM 0 HA MET A 28 5.146 29.787 28.848 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.169 31.767 27.719 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.144 31.131 29.352 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.790 28.961 28.662 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.275 29.224 27.008 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.820 31.103 25.242 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.097 31.151 25.682 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.228 32.330 26.386 1.00 0.00 H new ATOM 446 N ALA A 29 3.840 31.731 29.622 1.00 0.00 N ATOM 447 CA ALA A 29 3.029 32.847 30.094 1.00 0.00 C ATOM 448 C ALA A 29 3.412 33.213 31.523 1.00 0.00 C ATOM 449 O ALA A 29 3.840 34.335 31.792 1.00 0.00 O ATOM 450 CB ALA A 29 1.552 32.474 30.032 1.00 0.00 C ATOM 0 H ALA A 29 3.746 30.879 30.174 1.00 0.00 H new ATOM 0 HA ALA A 29 3.210 33.709 29.452 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.950 33.311 30.386 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.279 32.240 29.003 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.370 31.604 30.663 1.00 0.00 H new ATOM 456 N GLU A 30 3.255 32.260 32.437 1.00 0.00 N ATOM 457 CA GLU A 30 3.585 32.482 33.842 1.00 0.00 C ATOM 458 C GLU A 30 3.754 31.150 34.564 1.00 0.00 C ATOM 459 O GLU A 30 3.093 30.166 34.232 1.00 0.00 O ATOM 460 CB GLU A 30 2.483 33.299 34.511 1.00 0.00 C ATOM 461 CG GLU A 30 2.905 34.754 34.691 1.00 0.00 C ATOM 462 CD GLU A 30 2.169 35.375 35.871 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.496 35.028 37.025 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.267 36.207 35.639 1.00 0.00 O ATOM 0 H GLU A 30 2.901 31.326 32.230 1.00 0.00 H new ATOM 0 HA GLU A 30 4.524 33.032 33.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.576 33.253 33.908 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.243 32.865 35.482 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.981 34.810 34.854 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.691 35.317 33.783 1.00 0.00 H new ATOM 471 N VAL A 31 4.643 31.123 35.554 1.00 0.00 N ATOM 472 CA VAL A 31 4.895 29.905 36.322 1.00 0.00 C ATOM 473 C VAL A 31 4.925 30.209 37.814 1.00 0.00 C ATOM 474 O VAL A 31 5.128 31.352 38.223 1.00 0.00 O ATOM 475 CB VAL A 31 6.225 29.273 35.906 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.288 27.816 36.358 1.00 0.00 C ATOM 477 CG2 VAL A 31 6.434 29.372 34.397 1.00 0.00 C ATOM 0 H VAL A 31 5.200 31.927 35.843 1.00 0.00 H new ATOM 0 HA VAL A 31 4.086 29.205 36.116 1.00 0.00 H new ATOM 0 HB VAL A 31 7.027 29.826 36.394 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.240 27.382 36.054 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.197 27.767 37.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.472 27.257 35.900 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.387 28.915 34.131 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.626 28.852 33.883 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.439 30.420 34.098 1.00 0.00 H new ATOM 487 N GLU A 32 4.719 29.174 38.621 1.00 0.00 N ATOM 488 CA GLU A 32 4.718 29.313 40.068 1.00 0.00 C ATOM 489 C GLU A 32 5.194 28.020 40.720 1.00 0.00 C ATOM 490 O GLU A 32 4.968 26.930 40.195 1.00 0.00 O ATOM 491 CB GLU A 32 3.316 29.657 40.546 1.00 0.00 C ATOM 492 CG GLU A 32 2.317 28.571 40.164 1.00 0.00 C ATOM 493 CD GLU A 32 1.993 28.652 38.678 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.090 29.432 38.307 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.643 27.937 37.887 1.00 0.00 O ATOM 0 H GLU A 32 4.550 28.224 38.292 1.00 0.00 H new ATOM 0 HA GLU A 32 5.399 30.116 40.351 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.320 29.785 41.628 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.005 30.608 40.113 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.728 27.590 40.401 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.404 28.684 40.749 1.00 0.00 H new ATOM 502 N LEU A 33 5.860 28.149 41.862 1.00 0.00 N ATOM 503 CA LEU A 33 6.377 27.003 42.584 1.00 0.00 C ATOM 504 C LEU A 33 5.691 26.907 43.947 1.00 0.00 C ATOM 505 O LEU A 33 5.201 27.903 44.476 1.00 0.00 O ATOM 506 CB LEU A 33 7.900 27.169 42.721 1.00 0.00 C ATOM 507 CG LEU A 33 8.491 26.337 43.856 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.434 24.849 43.521 1.00 0.00 C ATOM 509 CD2 LEU A 33 9.927 26.763 44.146 1.00 0.00 C ATOM 0 H LEU A 33 6.053 29.046 42.307 1.00 0.00 H new ATOM 0 HA LEU A 33 6.172 26.076 42.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.377 26.884 41.783 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.132 28.221 42.890 1.00 0.00 H new ATOM 0 HG LEU A 33 7.893 26.511 44.751 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.860 24.274 44.343 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.397 24.550 43.369 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.004 24.659 42.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.329 26.157 44.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.536 26.622 43.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.944 27.814 44.435 1.00 0.00 H new ATOM 521 N ARG A 34 5.667 25.704 44.509 1.00 0.00 N ATOM 522 CA ARG A 34 5.051 25.477 45.812 1.00 0.00 C ATOM 523 C ARG A 34 5.898 24.509 46.630 1.00 0.00 C ATOM 524 O ARG A 34 6.925 24.019 46.159 1.00 0.00 O ATOM 525 CB ARG A 34 3.643 24.916 45.637 1.00 0.00 C ATOM 526 CG ARG A 34 2.643 25.647 46.528 1.00 0.00 C ATOM 527 CD ARG A 34 2.240 24.792 47.726 1.00 0.00 C ATOM 528 NE ARG A 34 0.794 24.600 47.746 1.00 0.00 N ATOM 529 CZ ARG A 34 0.243 23.414 47.511 1.00 0.00 C ATOM 530 NH1 ARG A 34 0.647 22.685 46.480 1.00 0.00 N ATOM 531 NH2 ARG A 34 -0.712 22.955 48.307 1.00 0.00 N ATOM 0 H ARG A 34 6.068 24.869 44.082 1.00 0.00 H new ATOM 0 HA ARG A 34 4.989 26.428 46.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.339 25.007 44.594 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.640 23.853 45.878 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.080 26.583 46.877 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.757 25.905 45.948 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.742 23.826 47.677 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.563 25.272 48.650 1.00 0.00 H new ATOM 0 HE ARG A 34 0.190 25.397 47.946 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.382 23.034 45.865 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.223 21.775 46.301 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.025 23.512 49.102 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.134 22.044 48.125 1.00 0.00 H new ATOM 545 N GLU A 35 5.462 24.233 47.853 1.00 0.00 N ATOM 546 CA GLU A 35 6.178 23.318 48.733 1.00 0.00 C ATOM 547 C GLU A 35 5.259 22.180 49.143 1.00 0.00 C ATOM 548 O GLU A 35 5.318 21.086 48.582 1.00 0.00 O ATOM 549 CB GLU A 35 6.671 24.060 49.972 1.00 0.00 C ATOM 550 CG GLU A 35 8.190 24.214 49.963 1.00 0.00 C ATOM 551 CD GLU A 35 8.860 22.852 50.095 1.00 0.00 C ATOM 552 OE1 GLU A 35 8.251 21.944 50.698 1.00 0.00 O ATOM 553 OE2 GLU A 35 9.994 22.696 49.595 1.00 0.00 O ATOM 0 H GLU A 35 4.615 24.631 48.258 1.00 0.00 H new ATOM 0 HA GLU A 35 7.038 22.912 48.201 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.205 25.044 50.018 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.364 23.520 50.867 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.508 24.695 49.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.502 24.861 50.783 1.00 0.00 H new ATOM 560 N HIS A 36 4.401 22.451 50.119 1.00 0.00 N ATOM 561 CA HIS A 36 3.453 21.458 50.606 1.00 0.00 C ATOM 562 C HIS A 36 2.588 22.049 51.711 1.00 0.00 C ATOM 563 O HIS A 36 1.392 21.771 51.792 1.00 0.00 O ATOM 564 CB HIS A 36 4.199 20.232 51.125 1.00 0.00 C ATOM 565 CG HIS A 36 3.316 19.030 51.262 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.991 19.025 50.909 1.00 0.00 N ATOM 567 CD2 HIS A 36 3.562 17.774 51.716 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.450 17.849 51.129 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.384 17.054 51.624 1.00 0.00 N ATOM 0 H HIS A 36 4.343 23.354 50.590 1.00 0.00 H new ATOM 0 HA HIS A 36 2.808 21.157 49.780 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.020 19.998 50.448 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.641 20.465 52.094 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.508 17.403 52.083 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.422 17.578 50.939 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.258 16.078 51.892 1.00 0.00 H new ATOM 577 N GLY A 37 3.201 22.867 52.560 1.00 0.00 N ATOM 578 CA GLY A 37 2.487 23.502 53.664 1.00 0.00 C ATOM 579 C GLY A 37 2.759 25.002 53.696 1.00 0.00 C ATOM 580 O GLY A 37 2.617 25.643 54.737 1.00 0.00 O ATOM 0 H GLY A 37 4.191 23.106 52.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.417 23.324 53.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.795 23.052 54.608 1.00 0.00 H new ATOM 584 N SER A 38 3.150 25.559 52.552 1.00 0.00 N ATOM 585 CA SER A 38 3.440 26.987 52.455 1.00 0.00 C ATOM 586 C SER A 38 2.145 27.786 52.389 1.00 0.00 C ATOM 587 O SER A 38 1.066 27.264 52.668 1.00 0.00 O ATOM 588 CB SER A 38 4.286 27.269 51.216 1.00 0.00 C ATOM 589 OG SER A 38 4.854 28.568 51.286 1.00 0.00 O ATOM 0 H SER A 38 3.273 25.044 51.680 1.00 0.00 H new ATOM 0 HA SER A 38 3.997 27.289 53.342 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.077 26.524 51.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.670 27.183 50.321 1.00 0.00 H new ATOM 0 HG SER A 38 5.394 28.732 50.485 1.00 0.00 H new ATOM 595 N ASP A 39 2.259 29.056 52.015 1.00 0.00 N ATOM 596 CA ASP A 39 1.097 29.931 51.908 1.00 0.00 C ATOM 597 C ASP A 39 0.472 29.806 50.525 1.00 0.00 C ATOM 598 O ASP A 39 0.268 30.803 49.833 1.00 0.00 O ATOM 599 CB ASP A 39 1.508 31.378 52.162 1.00 0.00 C ATOM 600 CG ASP A 39 2.623 31.783 51.207 1.00 0.00 C ATOM 601 OD1 ASP A 39 3.678 31.115 51.206 1.00 0.00 O ATOM 602 OD2 ASP A 39 2.440 32.768 50.461 1.00 0.00 O ATOM 0 H ASP A 39 3.145 29.503 51.781 1.00 0.00 H new ATOM 0 HA ASP A 39 0.363 29.633 52.656 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.649 32.036 52.030 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.842 31.493 53.193 1.00 0.00 H new ATOM 607 N GLU A 40 0.174 28.574 50.126 1.00 0.00 N ATOM 608 CA GLU A 40 -0.426 28.313 48.822 1.00 0.00 C ATOM 609 C GLU A 40 0.584 28.583 47.713 1.00 0.00 C ATOM 610 O GLU A 40 1.715 28.989 47.976 1.00 0.00 O ATOM 611 CB GLU A 40 -1.659 29.191 48.628 1.00 0.00 C ATOM 612 CG GLU A 40 -2.898 28.349 48.338 1.00 0.00 C ATOM 613 CD GLU A 40 -3.740 29.007 47.254 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.549 29.898 47.586 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.588 28.632 46.072 1.00 0.00 O ATOM 0 H GLU A 40 0.338 27.739 50.688 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.725 27.266 48.778 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.825 29.791 49.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.488 29.886 47.806 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.601 27.349 48.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.488 28.233 49.247 1.00 0.00 H new ATOM 622 N TRP A 41 0.167 28.354 46.472 1.00 0.00 N ATOM 623 CA TRP A 41 1.035 28.572 45.318 1.00 0.00 C ATOM 624 C TRP A 41 1.666 29.958 45.375 1.00 0.00 C ATOM 625 O TRP A 41 1.005 30.937 45.721 1.00 0.00 O ATOM 626 CB TRP A 41 0.233 28.423 44.029 1.00 0.00 C ATOM 627 CG TRP A 41 -0.253 27.024 43.808 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.477 26.518 44.149 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.478 25.941 43.193 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.528 25.203 43.778 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.360 24.819 43.196 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.756 25.815 42.643 1.00 0.00 C ATOM 633 CZ2 TRP A 41 0.041 23.600 42.673 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.163 24.596 42.118 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.312 23.499 42.133 1.00 0.00 C ATOM 0 H TRP A 41 -0.767 28.017 46.239 1.00 0.00 H new ATOM 0 HA TRP A 41 1.830 27.826 45.338 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.621 29.100 44.057 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.852 28.726 43.184 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.272 27.067 44.632 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.333 24.593 43.919 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.425 26.663 42.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.623 22.748 42.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.151 24.500 41.694 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.644 22.558 41.720 1.00 0.00 H new ATOM 646 N VAL A 42 2.946 30.036 45.023 1.00 0.00 N ATOM 647 CA VAL A 42 3.665 31.304 45.024 1.00 0.00 C ATOM 648 C VAL A 42 4.299 31.537 43.659 1.00 0.00 C ATOM 649 O VAL A 42 5.226 30.829 43.266 1.00 0.00 O ATOM 650 CB VAL A 42 4.736 31.302 46.113 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.104 31.487 47.490 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.544 30.009 46.068 1.00 0.00 C ATOM 0 H VAL A 42 3.506 29.234 44.733 1.00 0.00 H new ATOM 0 HA VAL A 42 2.963 32.112 45.231 1.00 0.00 H new ATOM 0 HB VAL A 42 5.411 32.138 45.929 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.884 31.483 48.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.571 32.438 47.521 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.405 30.673 47.682 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.302 30.026 46.851 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.880 29.159 46.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.029 29.916 45.096 1.00 0.00 H new ATOM 662 N ALA A 43 3.785 32.527 42.934 1.00 0.00 N ATOM 663 CA ALA A 43 4.286 32.855 41.599 1.00 0.00 C ATOM 664 C ALA A 43 5.812 32.863 41.571 1.00 0.00 C ATOM 665 O ALA A 43 6.458 33.363 42.492 1.00 0.00 O ATOM 666 CB ALA A 43 3.755 34.218 41.166 1.00 0.00 C ATOM 0 H ALA A 43 3.017 33.120 43.250 1.00 0.00 H new ATOM 0 HA ALA A 43 3.935 32.090 40.907 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.132 34.456 40.171 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.665 34.194 41.145 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.088 34.979 41.872 1.00 0.00 H new ATOM 672 N MET A 44 6.378 32.304 40.506 1.00 0.00 N ATOM 673 CA MET A 44 7.825 32.238 40.344 1.00 0.00 C ATOM 674 C MET A 44 8.412 33.627 40.139 1.00 0.00 C ATOM 675 O MET A 44 7.716 34.634 40.272 1.00 0.00 O ATOM 676 CB MET A 44 8.157 31.359 39.147 1.00 0.00 C ATOM 677 CG MET A 44 8.485 29.939 39.580 1.00 0.00 C ATOM 678 SD MET A 44 10.257 29.648 39.704 1.00 0.00 S ATOM 679 CE MET A 44 10.291 27.875 40.003 1.00 0.00 C ATOM 0 H MET A 44 5.852 31.888 39.738 1.00 0.00 H new ATOM 0 HA MET A 44 8.259 31.813 41.249 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.313 31.346 38.457 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.004 31.782 38.606 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.019 29.740 40.545 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.054 29.236 38.867 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.821 27.673 40.934 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.271 27.499 40.077 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.802 27.377 39.179 1.00 0.00 H new ATOM 689 N THR A 45 9.699 33.671 39.811 1.00 0.00 N ATOM 690 CA THR A 45 10.391 34.935 39.581 1.00 0.00 C ATOM 691 C THR A 45 11.527 34.740 38.584 1.00 0.00 C ATOM 692 O THR A 45 12.562 34.161 38.913 1.00 0.00 O ATOM 693 CB THR A 45 10.944 35.474 40.896 1.00 0.00 C ATOM 694 OG1 THR A 45 9.900 35.585 41.852 1.00 0.00 O ATOM 695 CG2 THR A 45 11.608 36.832 40.688 1.00 0.00 C ATOM 0 H THR A 45 10.285 32.844 39.698 1.00 0.00 H new ATOM 0 HA THR A 45 9.681 35.653 39.171 1.00 0.00 H new ATOM 0 HB THR A 45 11.696 34.777 41.265 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.263 35.930 42.694 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.995 37.197 41.639 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.428 36.731 39.977 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.876 37.539 40.299 1.00 0.00 H new ATOM 703 N LYS A 46 11.326 35.225 37.363 1.00 0.00 N ATOM 704 CA LYS A 46 12.335 35.102 36.316 1.00 0.00 C ATOM 705 C LYS A 46 13.602 35.851 36.706 1.00 0.00 C ATOM 706 O LYS A 46 13.830 36.977 36.267 1.00 0.00 O ATOM 707 CB LYS A 46 11.793 35.648 34.998 1.00 0.00 C ATOM 708 CG LYS A 46 11.163 37.025 35.184 1.00 0.00 C ATOM 709 CD LYS A 46 11.047 37.764 33.854 1.00 0.00 C ATOM 710 CE LYS A 46 12.421 38.017 33.239 1.00 0.00 C ATOM 711 NZ LYS A 46 12.457 39.317 32.510 1.00 0.00 N ATOM 0 H LYS A 46 10.475 35.707 37.074 1.00 0.00 H new ATOM 0 HA LYS A 46 12.577 34.047 36.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.601 35.711 34.269 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.052 34.958 34.594 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.175 36.918 35.631 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.765 37.612 35.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.439 37.180 33.163 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.534 38.714 34.007 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.178 38.016 34.023 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.670 37.206 32.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.403 39.461 32.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.750 39.307 31.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.243 40.091 33.170 1.00 0.00 H new ATOM 725 N GLY A 47 14.425 35.215 37.533 1.00 0.00 N ATOM 726 CA GLY A 47 15.675 35.816 37.984 1.00 0.00 C ATOM 727 C GLY A 47 16.848 35.294 37.165 1.00 0.00 C ATOM 728 O GLY A 47 17.883 35.952 37.058 1.00 0.00 O ATOM 0 H GLY A 47 14.248 34.282 37.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.616 36.901 37.894 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.833 35.591 39.039 1.00 0.00 H new ATOM 732 N GLU A 48 16.685 34.106 36.588 1.00 0.00 N ATOM 733 CA GLU A 48 17.734 33.496 35.780 1.00 0.00 C ATOM 734 C GLU A 48 17.796 34.115 34.380 1.00 0.00 C ATOM 735 O GLU A 48 18.611 33.705 33.555 1.00 0.00 O ATOM 736 CB GLU A 48 17.482 31.997 35.668 1.00 0.00 C ATOM 737 CG GLU A 48 18.515 31.199 36.458 1.00 0.00 C ATOM 738 CD GLU A 48 19.830 31.138 35.694 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.945 30.302 34.772 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.744 31.925 36.017 1.00 0.00 O ATOM 0 H GLU A 48 15.835 33.547 36.666 1.00 0.00 H new ATOM 0 HA GLU A 48 18.690 33.678 36.270 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.482 31.766 36.036 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.513 31.698 34.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.674 31.660 37.433 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.144 30.190 36.639 1.00 0.00 H new ATOM 747 N GLY A 49 16.937 35.099 34.110 1.00 0.00 N ATOM 748 CA GLY A 49 16.914 35.755 32.805 1.00 0.00 C ATOM 749 C GLY A 49 16.425 34.801 31.718 1.00 0.00 C ATOM 750 O GLY A 49 16.628 35.048 30.529 1.00 0.00 O ATOM 0 H GLY A 49 16.252 35.457 34.775 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.264 36.629 32.845 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.913 36.112 32.557 1.00 0.00 H new ATOM 754 N GLY A 50 15.780 33.712 32.127 1.00 0.00 N ATOM 755 CA GLY A 50 15.262 32.724 31.188 1.00 0.00 C ATOM 756 C GLY A 50 14.620 31.584 31.957 1.00 0.00 C ATOM 757 O GLY A 50 13.580 31.054 31.565 1.00 0.00 O ATOM 0 H GLY A 50 15.604 33.492 33.107 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.531 33.186 30.524 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.069 32.345 30.560 1.00 0.00 H new ATOM 761 N VAL A 51 15.249 31.225 33.067 1.00 0.00 N ATOM 762 CA VAL A 51 14.758 30.163 33.927 1.00 0.00 C ATOM 763 C VAL A 51 14.050 30.779 35.131 1.00 0.00 C ATOM 764 O VAL A 51 14.383 31.883 35.561 1.00 0.00 O ATOM 765 CB VAL A 51 15.938 29.287 34.368 1.00 0.00 C ATOM 766 CG1 VAL A 51 15.583 28.427 35.569 1.00 0.00 C ATOM 767 CG2 VAL A 51 16.417 28.417 33.210 1.00 0.00 C ATOM 0 H VAL A 51 16.111 31.661 33.394 1.00 0.00 H new ATOM 0 HA VAL A 51 14.045 29.538 33.390 1.00 0.00 H new ATOM 0 HB VAL A 51 16.748 29.952 34.669 1.00 0.00 H new ATOM 0 HG11 VAL A 51 16.445 27.822 35.850 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.301 29.068 36.405 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.748 27.774 35.315 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.254 27.802 33.539 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.603 27.773 32.877 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.737 29.053 32.385 1.00 0.00 H new ATOM 777 N TRP A 52 13.065 30.067 35.663 1.00 0.00 N ATOM 778 CA TRP A 52 12.307 30.551 36.808 1.00 0.00 C ATOM 779 C TRP A 52 12.935 30.064 38.107 1.00 0.00 C ATOM 780 O TRP A 52 12.916 28.871 38.410 1.00 0.00 O ATOM 781 CB TRP A 52 10.866 30.071 36.698 1.00 0.00 C ATOM 782 CG TRP A 52 10.374 30.082 35.283 1.00 0.00 C ATOM 783 CD1 TRP A 52 9.568 29.157 34.690 1.00 0.00 C ATOM 784 CD2 TRP A 52 10.684 31.062 34.270 1.00 0.00 C ATOM 785 NE1 TRP A 52 9.348 29.530 33.392 1.00 0.00 N ATOM 786 CE2 TRP A 52 10.012 30.682 33.102 1.00 0.00 C ATOM 787 CE3 TRP A 52 11.455 32.225 34.244 1.00 0.00 C ATOM 788 CZ2 TRP A 52 10.092 31.422 31.934 1.00 0.00 C ATOM 789 CZ3 TRP A 52 11.541 32.970 33.076 1.00 0.00 C ATOM 790 CH2 TRP A 52 10.863 32.571 31.932 1.00 0.00 C ATOM 0 H TRP A 52 12.773 29.152 35.319 1.00 0.00 H new ATOM 0 HA TRP A 52 12.322 31.641 36.814 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.789 29.061 37.100 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.225 30.707 37.309 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.168 28.274 35.166 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.766 29.015 32.732 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.983 32.544 35.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.565 31.109 31.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.141 33.868 33.057 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.938 33.163 31.032 1.00 0.00 H new ATOM 801 N THR A 53 13.497 30.998 38.871 1.00 0.00 N ATOM 802 CA THR A 53 14.140 30.671 40.139 1.00 0.00 C ATOM 803 C THR A 53 13.291 31.153 41.307 1.00 0.00 C ATOM 804 O THR A 53 12.568 32.144 41.196 1.00 0.00 O ATOM 805 CB THR A 53 15.522 31.314 40.200 1.00 0.00 C ATOM 806 OG1 THR A 53 15.448 32.667 39.775 1.00 0.00 O ATOM 807 CG2 THR A 53 16.516 30.547 39.333 1.00 0.00 C ATOM 0 H THR A 53 13.519 31.989 38.632 1.00 0.00 H new ATOM 0 HA THR A 53 14.244 29.588 40.209 1.00 0.00 H new ATOM 0 HB THR A 53 15.871 31.282 41.232 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.339 33.073 39.819 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.494 31.024 39.392 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.591 29.519 39.688 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.174 30.549 38.298 1.00 0.00 H new ATOM 815 N PHE A 54 13.383 30.447 42.428 1.00 0.00 N ATOM 816 CA PHE A 54 12.623 30.800 43.623 1.00 0.00 C ATOM 817 C PHE A 54 13.501 30.695 44.862 1.00 0.00 C ATOM 818 O PHE A 54 13.952 29.609 45.227 1.00 0.00 O ATOM 819 CB PHE A 54 11.415 29.879 43.761 1.00 0.00 C ATOM 820 CG PHE A 54 10.387 30.401 44.733 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.470 31.355 44.325 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.359 29.928 46.034 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.525 31.835 45.216 1.00 0.00 C ATOM 824 CE2 PHE A 54 9.415 30.407 46.926 1.00 0.00 C ATOM 825 CZ PHE A 54 8.498 31.361 46.517 1.00 0.00 C ATOM 0 H PHE A 54 13.977 29.625 42.535 1.00 0.00 H new ATOM 0 HA PHE A 54 12.279 31.830 43.527 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.950 29.749 42.784 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.750 28.895 44.088 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.492 31.725 43.311 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.074 29.185 46.353 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.810 32.578 44.897 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.394 30.037 47.940 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.762 31.735 47.213 1.00 0.00 H new ATOM 835 N ASP A 55 13.739 31.831 45.506 1.00 0.00 N ATOM 836 CA ASP A 55 14.563 31.873 46.707 1.00 0.00 C ATOM 837 C ASP A 55 13.872 31.136 47.848 1.00 0.00 C ATOM 838 O ASP A 55 12.665 30.895 47.805 1.00 0.00 O ATOM 839 CB ASP A 55 14.822 33.326 47.101 1.00 0.00 C ATOM 840 CG ASP A 55 15.635 33.393 48.387 1.00 0.00 C ATOM 841 OD1 ASP A 55 15.040 33.244 49.476 1.00 0.00 O ATOM 842 OD2 ASP A 55 16.865 33.594 48.305 1.00 0.00 O ATOM 0 H ASP A 55 13.372 32.737 45.216 1.00 0.00 H new ATOM 0 HA ASP A 55 15.514 31.382 46.503 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.356 33.837 46.299 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.874 33.847 47.235 1.00 0.00 H new ATOM 847 N SER A 56 14.645 30.782 48.870 1.00 0.00 N ATOM 848 CA SER A 56 14.113 30.075 50.028 1.00 0.00 C ATOM 849 C SER A 56 13.615 28.691 49.632 1.00 0.00 C ATOM 850 O SER A 56 12.812 28.546 48.711 1.00 0.00 O ATOM 851 CB SER A 56 12.978 30.883 50.646 1.00 0.00 C ATOM 852 OG SER A 56 12.718 30.445 51.971 1.00 0.00 O ATOM 0 H SER A 56 15.645 30.974 48.919 1.00 0.00 H new ATOM 0 HA SER A 56 14.911 29.955 50.761 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.239 31.941 50.651 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.078 30.779 50.040 1.00 0.00 H new ATOM 0 HG SER A 56 11.988 30.975 52.353 1.00 0.00 H new ATOM 858 N GLU A 57 14.099 27.676 50.341 1.00 0.00 N ATOM 859 CA GLU A 57 13.710 26.293 50.077 1.00 0.00 C ATOM 860 C GLU A 57 13.007 25.682 51.289 1.00 0.00 C ATOM 861 O GLU A 57 12.349 24.650 51.168 1.00 0.00 O ATOM 862 CB GLU A 57 14.944 25.466 49.725 1.00 0.00 C ATOM 863 CG GLU A 57 14.554 24.143 49.072 1.00 0.00 C ATOM 864 CD GLU A 57 15.524 23.044 49.487 1.00 0.00 C ATOM 865 OE1 GLU A 57 16.684 23.367 49.817 1.00 0.00 O ATOM 866 OE2 GLU A 57 15.122 21.861 49.479 1.00 0.00 O ATOM 0 H GLU A 57 14.764 27.785 51.106 1.00 0.00 H new ATOM 0 HA GLU A 57 13.015 26.287 49.237 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.584 26.033 49.049 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.525 25.272 50.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.539 23.871 49.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.557 24.250 47.987 1.00 0.00 H new ATOM 873 N GLU A 58 13.147 26.331 52.453 1.00 0.00 N ATOM 874 CA GLU A 58 12.537 25.874 53.706 1.00 0.00 C ATOM 875 C GLU A 58 12.810 24.392 53.955 1.00 0.00 C ATOM 876 O GLU A 58 13.338 23.687 53.098 1.00 0.00 O ATOM 877 CB GLU A 58 11.026 26.156 53.741 1.00 0.00 C ATOM 878 CG GLU A 58 10.382 26.183 52.354 1.00 0.00 C ATOM 879 CD GLU A 58 8.941 26.668 52.455 1.00 0.00 C ATOM 880 OE1 GLU A 58 8.399 26.694 53.580 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.357 27.020 51.409 1.00 0.00 O ATOM 0 H GLU A 58 13.688 27.190 52.551 1.00 0.00 H new ATOM 0 HA GLU A 58 13.003 26.445 54.509 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.535 25.394 54.347 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.854 27.114 54.232 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.949 26.839 51.694 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.408 25.187 51.913 1.00 0.00 H new ATOM 888 N PRO A 59 12.473 23.908 55.162 1.00 0.00 N ATOM 889 CA PRO A 59 12.682 22.530 55.573 1.00 0.00 C ATOM 890 C PRO A 59 11.436 21.663 55.406 1.00 0.00 C ATOM 891 O PRO A 59 11.393 20.531 55.886 1.00 0.00 O ATOM 892 CB PRO A 59 13.040 22.690 57.045 1.00 0.00 C ATOM 893 CG PRO A 59 12.459 23.998 57.485 1.00 0.00 C ATOM 894 CD PRO A 59 11.877 24.657 56.266 1.00 0.00 C ATOM 0 HA PRO A 59 13.438 22.023 54.974 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.634 21.868 57.634 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.121 22.679 57.185 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.691 23.843 58.242 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.226 24.628 57.934 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.789 24.593 56.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.134 25.715 56.219 1.00 0.00 H new ATOM 902 N LEU A 60 10.422 22.195 54.728 1.00 0.00 N ATOM 903 CA LEU A 60 9.181 21.459 54.508 1.00 0.00 C ATOM 904 C LEU A 60 9.456 20.160 53.762 1.00 0.00 C ATOM 905 O LEU A 60 9.624 20.156 52.543 1.00 0.00 O ATOM 906 CB LEU A 60 8.201 22.317 53.714 1.00 0.00 C ATOM 907 CG LEU A 60 6.998 22.716 54.565 1.00 0.00 C ATOM 908 CD1 LEU A 60 6.495 24.100 54.164 1.00 0.00 C ATOM 909 CD2 LEU A 60 5.882 21.683 54.434 1.00 0.00 C ATOM 0 H LEU A 60 10.436 23.131 54.323 1.00 0.00 H new ATOM 0 HA LEU A 60 8.743 21.218 55.477 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.707 23.212 53.354 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.862 21.767 52.836 1.00 0.00 H new ATOM 0 HG LEU A 60 7.312 22.752 55.608 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.637 24.368 54.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.289 24.832 54.309 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.199 24.090 53.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.033 21.985 55.048 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.570 21.614 53.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.245 20.711 54.769 1.00 0.00 H new ATOM 921 N GLN A 61 9.499 19.056 54.501 1.00 0.00 N ATOM 922 CA GLN A 61 9.751 17.747 53.908 1.00 0.00 C ATOM 923 C GLN A 61 8.769 17.485 52.774 1.00 0.00 C ATOM 924 O GLN A 61 7.556 17.605 52.950 1.00 0.00 O ATOM 925 CB GLN A 61 9.623 16.660 54.972 1.00 0.00 C ATOM 926 CG GLN A 61 10.413 17.021 56.227 1.00 0.00 C ATOM 927 CD GLN A 61 11.323 15.867 56.627 1.00 0.00 C ATOM 928 OE1 GLN A 61 12.465 15.780 56.177 1.00 0.00 O ATOM 929 NE2 GLN A 61 10.816 14.979 57.474 1.00 0.00 N ATOM 0 H GLN A 61 9.363 19.042 55.512 1.00 0.00 H new ATOM 0 HA GLN A 61 10.764 17.732 53.505 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.573 16.520 55.228 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.983 15.712 54.572 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.008 17.916 56.046 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.728 17.253 57.042 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.864 15.092 57.821 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.379 14.184 57.777 1.00 0.00 H new ATOM 938 N GLY A 62 9.299 17.130 51.609 1.00 0.00 N ATOM 939 CA GLY A 62 8.471 16.854 50.440 1.00 0.00 C ATOM 940 C GLY A 62 9.062 17.510 49.197 1.00 0.00 C ATOM 941 O GLY A 62 9.903 18.403 49.299 1.00 0.00 O ATOM 0 H GLY A 62 10.301 17.026 51.448 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.394 15.777 50.288 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.460 17.225 50.608 1.00 0.00 H new ATOM 945 N PRO A 63 8.629 17.072 48.002 1.00 0.00 N ATOM 946 CA PRO A 63 9.120 17.621 46.732 1.00 0.00 C ATOM 947 C PRO A 63 8.455 18.949 46.386 1.00 0.00 C ATOM 948 O PRO A 63 7.722 19.514 47.197 1.00 0.00 O ATOM 949 CB PRO A 63 8.758 16.554 45.711 1.00 0.00 C ATOM 950 CG PRO A 63 7.597 15.810 46.293 1.00 0.00 C ATOM 951 CD PRO A 63 7.630 16.011 47.791 1.00 0.00 C ATOM 0 HA PRO A 63 10.188 17.838 46.767 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.494 17.003 44.753 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.599 15.885 45.529 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.659 16.179 45.878 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.660 14.750 46.047 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.652 16.305 48.173 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.911 15.093 48.308 1.00 0.00 H new ATOM 959 N PHE A 64 8.711 19.443 45.176 1.00 0.00 N ATOM 960 CA PHE A 64 8.130 20.704 44.730 1.00 0.00 C ATOM 961 C PHE A 64 6.887 20.444 43.891 1.00 0.00 C ATOM 962 O PHE A 64 6.588 19.302 43.543 1.00 0.00 O ATOM 963 CB PHE A 64 9.149 21.491 43.909 1.00 0.00 C ATOM 964 CG PHE A 64 10.366 21.897 44.703 1.00 0.00 C ATOM 965 CD1 PHE A 64 10.221 22.564 45.908 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.632 21.602 44.224 1.00 0.00 C ATOM 967 CE1 PHE A 64 11.342 22.935 46.634 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.752 21.973 44.949 1.00 0.00 C ATOM 969 CZ PHE A 64 12.607 22.640 46.154 1.00 0.00 C ATOM 0 H PHE A 64 9.315 18.990 44.490 1.00 0.00 H new ATOM 0 HA PHE A 64 7.851 21.287 45.608 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.463 20.888 43.057 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.670 22.384 43.508 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.235 22.795 46.282 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.746 21.082 43.284 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.229 23.454 47.574 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.738 21.742 44.575 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.480 22.930 46.719 1.00 0.00 H new ATOM 979 N ASN A 65 6.169 21.513 43.569 1.00 0.00 N ATOM 980 CA ASN A 65 4.955 21.411 42.765 1.00 0.00 C ATOM 981 C ASN A 65 4.844 22.620 41.847 1.00 0.00 C ATOM 982 O ASN A 65 5.223 23.729 42.224 1.00 0.00 O ATOM 983 CB ASN A 65 3.723 21.324 43.668 1.00 0.00 C ATOM 984 CG ASN A 65 4.004 20.447 44.884 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.618 19.279 44.923 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.678 21.013 45.879 1.00 0.00 N ATOM 0 H ASN A 65 6.406 22.464 43.853 1.00 0.00 H new ATOM 0 HA ASN A 65 5.007 20.505 42.161 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.434 22.323 43.994 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.883 20.916 43.106 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.895 20.476 46.718 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.979 21.985 45.804 1.00 0.00 H new ATOM 993 N PHE A 66 4.335 22.406 40.639 1.00 0.00 N ATOM 994 CA PHE A 66 4.194 23.491 39.675 1.00 0.00 C ATOM 995 C PHE A 66 2.799 23.510 39.064 1.00 0.00 C ATOM 996 O PHE A 66 1.961 22.657 39.360 1.00 0.00 O ATOM 997 CB PHE A 66 5.234 23.343 38.571 1.00 0.00 C ATOM 998 CG PHE A 66 6.637 23.640 39.040 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.345 22.689 39.758 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.220 24.863 38.752 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.634 22.962 40.186 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.508 25.135 39.180 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.216 24.184 39.897 1.00 0.00 C ATOM 0 H PHE A 66 4.015 21.497 40.305 1.00 0.00 H new ATOM 0 HA PHE A 66 4.349 24.432 40.203 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.196 22.327 38.177 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.982 24.013 37.749 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.892 21.735 39.984 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.669 25.605 38.193 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.185 22.221 40.746 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.961 26.089 38.955 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.221 24.396 40.230 1.00 0.00 H new ATOM 1013 N ARG A 67 2.566 24.497 38.207 1.00 0.00 N ATOM 1014 CA ARG A 67 1.284 24.665 37.531 1.00 0.00 C ATOM 1015 C ARG A 67 1.315 25.944 36.706 1.00 0.00 C ATOM 1016 O ARG A 67 0.621 26.912 37.016 1.00 0.00 O ATOM 1017 CB ARG A 67 0.158 24.734 38.558 1.00 0.00 C ATOM 1018 CG ARG A 67 0.416 25.836 39.581 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.689 26.888 39.549 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.756 27.595 40.822 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.825 28.301 41.173 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.032 27.755 41.111 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -1.689 29.553 41.585 1.00 0.00 N ATOM 0 H ARG A 67 3.260 25.203 37.961 1.00 0.00 H new ATOM 0 HA ARG A 67 1.106 23.814 36.874 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.790 24.918 38.052 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.066 23.775 39.067 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.480 25.402 40.579 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.377 26.308 39.377 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.502 27.596 38.742 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.647 26.412 39.340 1.00 0.00 H new ATOM 0 HE ARG A 67 0.039 27.546 41.460 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.140 26.792 40.793 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.852 28.298 41.381 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.762 29.976 41.633 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.511 30.094 41.854 1.00 0.00 H new ATOM 1037 N PHE A 68 2.140 25.948 35.665 1.00 0.00 N ATOM 1038 CA PHE A 68 2.284 27.117 34.804 1.00 0.00 C ATOM 1039 C PHE A 68 0.934 27.597 34.302 1.00 0.00 C ATOM 1040 O PHE A 68 -0.093 26.953 34.516 1.00 0.00 O ATOM 1041 CB PHE A 68 3.184 26.793 33.616 1.00 0.00 C ATOM 1042 CG PHE A 68 2.878 25.454 32.994 1.00 0.00 C ATOM 1043 CD1 PHE A 68 1.646 25.229 32.403 1.00 0.00 C ATOM 1044 CD2 PHE A 68 3.829 24.447 33.013 1.00 0.00 C ATOM 1045 CE1 PHE A 68 1.365 24.000 31.831 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.549 23.218 32.441 1.00 0.00 C ATOM 1047 CZ PHE A 68 2.317 22.994 31.850 1.00 0.00 C ATOM 0 H PHE A 68 2.720 25.153 35.396 1.00 0.00 H new ATOM 0 HA PHE A 68 2.737 27.912 35.396 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.075 27.572 32.861 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.224 26.808 33.941 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.904 26.013 32.388 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.790 24.621 33.475 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.404 23.826 31.370 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.291 22.434 32.456 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.098 22.035 31.404 1.00 0.00 H new ATOM 1057 N LEU A 69 0.955 28.734 33.623 1.00 0.00 N ATOM 1058 CA LEU A 69 -0.252 29.328 33.065 1.00 0.00 C ATOM 1059 C LEU A 69 -0.020 29.640 31.595 1.00 0.00 C ATOM 1060 O LEU A 69 -0.165 30.784 31.170 1.00 0.00 O ATOM 1061 CB LEU A 69 -0.612 30.611 33.818 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.318 30.491 35.314 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.381 31.862 35.982 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.299 29.528 35.977 1.00 0.00 C ATOM 0 H LEU A 69 1.804 29.269 33.443 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.078 28.624 33.166 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.049 31.447 33.403 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.669 30.834 33.672 1.00 0.00 H new ATOM 0 HG LEU A 69 0.690 30.094 35.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.169 31.758 37.046 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.358 32.522 35.528 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.376 32.286 35.850 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.074 29.455 37.041 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.316 29.897 35.845 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.208 28.543 35.519 1.00 0.00 H new ATOM 1076 N THR A 70 0.364 28.603 30.837 1.00 0.00 N ATOM 1077 CA THR A 70 0.660 28.707 29.397 1.00 0.00 C ATOM 1078 C THR A 70 -0.093 29.851 28.725 1.00 0.00 C ATOM 1079 O THR A 70 -1.275 30.075 28.989 1.00 0.00 O ATOM 1080 CB THR A 70 0.313 27.394 28.704 1.00 0.00 C ATOM 1081 OG1 THR A 70 -0.779 26.770 29.363 1.00 0.00 O ATOM 1082 CG2 THR A 70 1.517 26.457 28.684 1.00 0.00 C ATOM 0 H THR A 70 0.479 27.660 31.207 1.00 0.00 H new ATOM 0 HA THR A 70 1.725 28.917 29.302 1.00 0.00 H new ATOM 0 HB THR A 70 0.031 27.613 27.674 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.448 26.251 30.125 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.246 25.527 28.185 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.338 26.931 28.147 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.828 26.243 29.706 1.00 0.00 H new ATOM 1090 N GLU A 71 0.608 30.570 27.856 1.00 0.00 N ATOM 1091 CA GLU A 71 0.024 31.696 27.139 1.00 0.00 C ATOM 1092 C GLU A 71 -1.276 31.275 26.465 1.00 0.00 C ATOM 1093 O GLU A 71 -2.312 31.918 26.634 1.00 0.00 O ATOM 1094 CB GLU A 71 1.010 32.216 26.095 1.00 0.00 C ATOM 1095 CG GLU A 71 2.379 32.505 26.710 1.00 0.00 C ATOM 1096 CD GLU A 71 3.163 33.461 25.820 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.315 33.164 24.616 1.00 0.00 O ATOM 1098 OE2 GLU A 71 3.623 34.505 26.328 1.00 0.00 O ATOM 0 H GLU A 71 1.587 30.391 27.631 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.193 32.492 27.851 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.117 31.482 25.297 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.615 33.125 25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.256 32.938 27.702 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.934 31.575 26.835 1.00 0.00 H new ATOM 1105 N LYS A 72 -1.214 30.187 25.704 1.00 0.00 N ATOM 1106 CA LYS A 72 -2.386 29.671 25.006 1.00 0.00 C ATOM 1107 C LYS A 72 -2.459 28.158 25.157 1.00 0.00 C ATOM 1108 O LYS A 72 -2.469 27.423 24.170 1.00 0.00 O ATOM 1109 CB LYS A 72 -2.324 30.051 23.527 1.00 0.00 C ATOM 1110 CG LYS A 72 -3.582 29.612 22.775 1.00 0.00 C ATOM 1111 CD LYS A 72 -4.853 30.024 23.513 1.00 0.00 C ATOM 1112 CE LYS A 72 -6.055 30.044 22.573 1.00 0.00 C ATOM 1113 NZ LYS A 72 -6.862 31.285 22.751 1.00 0.00 N ATOM 0 H LYS A 72 -0.363 29.645 25.555 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.281 30.111 25.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.203 31.130 23.434 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.448 29.591 23.070 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.582 30.051 21.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.570 28.530 22.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.041 29.331 24.333 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.717 31.011 23.954 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.713 29.975 21.540 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.680 29.171 22.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.672 31.269 22.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.208 31.337 23.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.270 32.116 22.548 1.00 0.00 H new ATOM 1127 N GLY A 73 -2.506 27.696 26.402 1.00 0.00 N ATOM 1128 CA GLY A 73 -2.574 26.267 26.685 1.00 0.00 C ATOM 1129 C GLY A 73 -3.600 25.980 27.774 1.00 0.00 C ATOM 1130 O GLY A 73 -4.795 25.871 27.502 1.00 0.00 O ATOM 0 H GLY A 73 -2.498 28.290 27.231 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.838 25.724 25.778 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.594 25.907 26.998 1.00 0.00 H new ATOM 1134 N MET A 74 -3.126 25.858 29.011 1.00 0.00 N ATOM 1135 CA MET A 74 -4.004 25.582 30.143 1.00 0.00 C ATOM 1136 C MET A 74 -3.188 25.368 31.412 1.00 0.00 C ATOM 1137 O MET A 74 -1.972 25.180 31.356 1.00 0.00 O ATOM 1138 CB MET A 74 -4.849 24.345 29.854 1.00 0.00 C ATOM 1139 CG MET A 74 -3.989 23.202 29.323 1.00 0.00 C ATOM 1140 SD MET A 74 -4.859 21.626 29.331 1.00 0.00 S ATOM 1141 CE MET A 74 -3.564 20.526 29.924 1.00 0.00 C ATOM 0 H MET A 74 -2.139 25.946 29.254 1.00 0.00 H new ATOM 0 HA MET A 74 -4.660 26.439 30.292 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.358 24.028 30.764 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.622 24.591 29.126 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.671 23.433 28.306 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.087 23.119 29.929 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.950 19.508 29.983 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.719 20.554 29.236 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.237 20.848 30.913 1.00 0.00 H new ATOM 1151 N LYS A 75 -3.865 25.398 32.555 1.00 0.00 N ATOM 1152 CA LYS A 75 -3.206 25.208 33.847 1.00 0.00 C ATOM 1153 C LYS A 75 -3.283 23.744 34.261 1.00 0.00 C ATOM 1154 O LYS A 75 -4.320 23.099 34.107 1.00 0.00 O ATOM 1155 CB LYS A 75 -3.862 26.080 34.925 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.456 27.368 34.350 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.433 28.133 33.514 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.121 29.107 32.561 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.206 29.862 33.249 1.00 0.00 N ATOM 0 H LYS A 75 -4.871 25.552 32.615 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.162 25.503 33.744 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.648 25.510 35.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.122 26.332 35.685 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.323 27.127 33.735 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.809 28.002 35.164 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.757 28.679 34.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.825 27.430 32.944 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.387 29.806 32.159 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.536 28.559 31.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.482 30.680 32.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.029 29.241 33.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.866 30.193 34.174 1.00 0.00 H new ATOM 1173 N ASN A 76 -2.181 23.226 34.790 1.00 0.00 N ATOM 1174 CA ASN A 76 -2.121 21.836 35.230 1.00 0.00 C ATOM 1175 C ASN A 76 -1.315 21.724 36.517 1.00 0.00 C ATOM 1176 O ASN A 76 -0.764 22.711 37.003 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.488 20.972 34.142 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.097 19.576 34.156 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -3.108 19.335 34.816 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.482 18.655 33.424 1.00 0.00 N ATOM 0 H ASN A 76 -1.315 23.748 34.925 1.00 0.00 H new ATOM 0 HA ASN A 76 -3.135 21.484 35.420 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.641 21.433 33.166 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.411 20.908 34.299 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.845 17.702 33.393 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.646 18.900 32.893 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.250 20.516 37.067 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.509 20.276 38.301 1.00 0.00 C ATOM 1189 C VAL A 77 0.568 19.224 38.073 1.00 0.00 C ATOM 1190 O VAL A 77 0.391 18.302 37.277 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.466 19.826 39.403 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.703 19.473 40.679 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.494 20.916 39.686 1.00 0.00 C ATOM 0 H VAL A 77 -1.701 19.688 36.678 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.027 21.203 38.610 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.985 18.931 39.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.407 19.156 41.448 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.003 18.664 40.472 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.154 20.347 41.028 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.170 20.583 40.473 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.983 21.824 40.007 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.065 21.122 38.781 1.00 0.00 H new ATOM 1203 N PHE A 78 1.684 19.370 38.777 1.00 0.00 N ATOM 1204 CA PHE A 78 2.796 18.434 38.653 1.00 0.00 C ATOM 1205 C PHE A 78 3.350 18.079 40.025 1.00 0.00 C ATOM 1206 O PHE A 78 3.989 18.902 40.680 1.00 0.00 O ATOM 1207 CB PHE A 78 3.898 19.043 37.792 1.00 0.00 C ATOM 1208 CG PHE A 78 3.419 19.422 36.414 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.198 18.440 35.462 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.197 20.752 36.101 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.755 18.790 34.197 1.00 0.00 C ATOM 1212 CE2 PHE A 78 2.754 21.101 34.837 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.533 20.121 33.885 1.00 0.00 C ATOM 0 H PHE A 78 1.844 20.128 39.440 1.00 0.00 H new ATOM 0 HA PHE A 78 2.431 17.524 38.177 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.295 19.928 38.290 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.719 18.332 37.704 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.371 17.402 35.706 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.369 21.517 36.843 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.583 18.025 33.454 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.581 22.139 34.593 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.187 20.394 32.899 1.00 0.00 H new ATOM 1223 N ASP A 79 3.104 16.846 40.454 1.00 0.00 N ATOM 1224 CA ASP A 79 3.582 16.377 41.749 1.00 0.00 C ATOM 1225 C ASP A 79 5.048 15.976 41.654 1.00 0.00 C ATOM 1226 O ASP A 79 5.578 15.780 40.560 1.00 0.00 O ATOM 1227 CB ASP A 79 2.745 15.188 42.212 1.00 0.00 C ATOM 1228 CG ASP A 79 1.452 15.673 42.853 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.421 16.827 43.332 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.471 14.900 42.875 1.00 0.00 O ATOM 0 H ASP A 79 2.576 16.153 39.923 1.00 0.00 H new ATOM 0 HA ASP A 79 3.485 17.185 42.474 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.519 14.541 41.364 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.312 14.591 42.926 1.00 0.00 H new ATOM 1235 N ASP A 80 5.701 15.859 42.804 1.00 0.00 N ATOM 1236 CA ASP A 80 7.110 15.485 42.852 1.00 0.00 C ATOM 1237 C ASP A 80 7.953 16.490 42.074 1.00 0.00 C ATOM 1238 O ASP A 80 8.489 17.434 42.651 1.00 0.00 O ATOM 1239 CB ASP A 80 7.296 14.079 42.284 1.00 0.00 C ATOM 1240 CG ASP A 80 6.796 13.038 43.278 1.00 0.00 C ATOM 1241 OD1 ASP A 80 5.699 13.232 43.842 1.00 0.00 O ATOM 1242 OD2 ASP A 80 7.504 12.031 43.492 1.00 0.00 O ATOM 0 H ASP A 80 5.277 16.018 43.718 1.00 0.00 H new ATOM 0 HA ASP A 80 7.441 15.491 43.891 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.753 13.984 41.344 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.349 13.905 42.063 1.00 0.00 H new ATOM 1247 N VAL A 81 8.068 16.278 40.767 1.00 0.00 N ATOM 1248 CA VAL A 81 8.838 17.144 39.875 1.00 0.00 C ATOM 1249 C VAL A 81 10.334 17.030 40.163 1.00 0.00 C ATOM 1250 O VAL A 81 11.125 16.719 39.272 1.00 0.00 O ATOM 1251 CB VAL A 81 8.349 18.587 40.012 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.283 19.570 39.303 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.935 18.713 39.452 1.00 0.00 C ATOM 0 H VAL A 81 7.625 15.492 40.290 1.00 0.00 H new ATOM 0 HA VAL A 81 8.684 16.823 38.845 1.00 0.00 H new ATOM 0 HB VAL A 81 8.345 18.839 41.073 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.902 20.584 39.423 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.280 19.503 39.738 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.333 19.324 38.242 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.594 19.743 39.553 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.934 18.432 38.399 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.265 18.053 40.004 1.00 0.00 H new ATOM 1263 N VAL A 82 10.714 17.285 41.404 1.00 0.00 N ATOM 1264 CA VAL A 82 12.113 17.214 41.810 1.00 0.00 C ATOM 1265 C VAL A 82 12.265 16.343 43.053 1.00 0.00 C ATOM 1266 O VAL A 82 11.449 16.415 43.973 1.00 0.00 O ATOM 1267 CB VAL A 82 12.643 18.616 42.097 1.00 0.00 C ATOM 1268 CG1 VAL A 82 14.122 18.564 42.474 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.425 19.527 40.891 1.00 0.00 C ATOM 0 H VAL A 82 10.072 17.544 42.153 1.00 0.00 H new ATOM 0 HA VAL A 82 12.688 16.769 40.997 1.00 0.00 H new ATOM 0 HB VAL A 82 12.090 19.028 42.942 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.482 19.573 42.675 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.249 17.949 43.365 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.692 18.133 41.651 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.809 20.523 41.113 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.951 19.120 40.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.359 19.590 40.670 1.00 0.00 H new ATOM 1279 N PRO A 83 13.319 15.510 43.100 1.00 0.00 N ATOM 1280 CA PRO A 83 13.579 14.624 44.247 1.00 0.00 C ATOM 1281 C PRO A 83 14.008 15.402 45.486 1.00 0.00 C ATOM 1282 O PRO A 83 13.940 16.631 45.514 1.00 0.00 O ATOM 1283 CB PRO A 83 14.707 13.721 43.764 1.00 0.00 C ATOM 1284 CG PRO A 83 15.399 14.504 42.699 1.00 0.00 C ATOM 1285 CD PRO A 83 14.344 15.363 42.052 1.00 0.00 C ATOM 0 HA PRO A 83 12.686 14.075 44.546 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.389 13.472 44.577 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.320 12.780 43.373 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.194 15.118 43.122 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.863 13.841 41.968 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.746 16.329 41.748 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.937 14.891 41.158 1.00 0.00 H new ATOM 1293 N GLU A 84 14.455 14.678 46.508 1.00 0.00 N ATOM 1294 CA GLU A 84 14.902 15.299 47.751 1.00 0.00 C ATOM 1295 C GLU A 84 16.375 15.674 47.651 1.00 0.00 C ATOM 1296 O GLU A 84 16.790 16.732 48.123 1.00 0.00 O ATOM 1297 CB GLU A 84 14.686 14.342 48.920 1.00 0.00 C ATOM 1298 CG GLU A 84 13.240 13.860 48.981 1.00 0.00 C ATOM 1299 CD GLU A 84 12.601 14.276 50.299 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.126 13.886 51.364 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.577 14.991 50.266 1.00 0.00 O ATOM 0 H GLU A 84 14.517 13.660 46.500 1.00 0.00 H new ATOM 0 HA GLU A 84 14.319 16.204 47.921 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.353 13.486 48.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.945 14.841 49.854 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.675 14.277 48.147 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.206 12.775 48.879 1.00 0.00 H new ATOM 1308 N LYS A 85 17.160 14.800 47.031 1.00 0.00 N ATOM 1309 CA LYS A 85 18.591 15.035 46.862 1.00 0.00 C ATOM 1310 C LYS A 85 18.913 15.289 45.395 1.00 0.00 C ATOM 1311 O LYS A 85 19.739 14.597 44.800 1.00 0.00 O ATOM 1312 CB LYS A 85 19.378 13.831 47.372 1.00 0.00 C ATOM 1313 CG LYS A 85 19.924 14.081 48.774 1.00 0.00 C ATOM 1314 CD LYS A 85 21.022 15.139 48.759 1.00 0.00 C ATOM 1315 CE LYS A 85 22.280 14.621 48.068 1.00 0.00 C ATOM 1316 NZ LYS A 85 22.470 15.263 46.737 1.00 0.00 N ATOM 0 H LYS A 85 16.829 13.920 46.636 1.00 0.00 H new ATOM 0 HA LYS A 85 18.875 15.915 47.439 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.735 12.951 47.381 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.202 13.617 46.691 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.115 14.402 49.430 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.317 13.151 49.185 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.664 16.031 48.246 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.261 15.433 49.781 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.149 14.817 48.696 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.212 13.540 47.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.218 14.764 46.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.581 15.216 46.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.744 16.258 46.867 1.00 0.00 H new ATOM 1330 N TYR A 86 18.252 16.285 44.815 1.00 0.00 N ATOM 1331 CA TYR A 86 18.461 16.634 43.414 1.00 0.00 C ATOM 1332 C TYR A 86 19.929 16.947 43.155 1.00 0.00 C ATOM 1333 O TYR A 86 20.725 17.066 44.086 1.00 0.00 O ATOM 1334 CB TYR A 86 17.597 17.837 43.042 1.00 0.00 C ATOM 1335 CG TYR A 86 18.053 19.116 43.698 1.00 0.00 C ATOM 1336 CD1 TYR A 86 19.136 19.810 43.186 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.389 19.598 44.814 1.00 0.00 C ATOM 1338 CE1 TYR A 86 19.553 20.985 43.789 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.809 20.773 45.415 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.888 21.460 44.900 1.00 0.00 C ATOM 1341 OH TYR A 86 19.303 22.628 45.498 1.00 0.00 O ATOM 0 H TYR A 86 17.565 16.867 45.295 1.00 0.00 H new ATOM 0 HA TYR A 86 18.173 15.783 42.797 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.610 17.966 41.960 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.564 17.637 43.327 1.00 0.00 H new ATOM 0 HD1 TYR A 86 19.656 19.435 42.317 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.544 19.058 45.215 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.397 21.528 43.390 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.293 21.150 46.285 1.00 0.00 H new ATOM 0 HH TYR A 86 18.728 22.824 46.267 1.00 0.00 H new ATOM 1351 N THR A 87 20.279 17.082 41.880 1.00 0.00 N ATOM 1352 CA THR A 87 21.650 17.384 41.485 1.00 0.00 C ATOM 1353 C THR A 87 21.660 18.152 40.169 1.00 0.00 C ATOM 1354 O THR A 87 21.156 17.669 39.155 1.00 0.00 O ATOM 1355 CB THR A 87 22.447 16.091 41.340 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.309 15.302 42.511 1.00 0.00 O ATOM 1357 CG2 THR A 87 23.922 16.389 41.082 1.00 0.00 C ATOM 0 H THR A 87 19.629 16.987 41.100 1.00 0.00 H new ATOM 0 HA THR A 87 22.111 18.001 42.256 1.00 0.00 H new ATOM 0 HB THR A 87 22.054 15.539 40.487 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.822 14.473 42.409 1.00 0.00 H new ATOM 0 HG21 THR A 87 24.470 15.452 40.982 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.021 16.967 40.163 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.329 16.960 41.916 1.00 0.00 H new ATOM 1365 N ILE A 88 22.234 19.351 40.191 1.00 0.00 N ATOM 1366 CA ILE A 88 22.306 20.190 38.997 1.00 0.00 C ATOM 1367 C ILE A 88 22.868 19.396 37.823 1.00 0.00 C ATOM 1368 O ILE A 88 24.045 19.033 37.811 1.00 0.00 O ATOM 1369 CB ILE A 88 23.180 21.411 39.272 1.00 0.00 C ATOM 1370 CG1 ILE A 88 22.592 22.240 40.412 1.00 0.00 C ATOM 1371 CG2 ILE A 88 23.328 22.267 38.016 1.00 0.00 C ATOM 1372 CD1 ILE A 88 23.385 22.051 41.702 1.00 0.00 C ATOM 0 H ILE A 88 22.656 19.765 41.022 1.00 0.00 H new ATOM 0 HA ILE A 88 21.300 20.523 38.741 1.00 0.00 H new ATOM 0 HB ILE A 88 24.170 21.062 39.567 1.00 0.00 H new ATOM 0 HG12 ILE A 88 22.591 23.294 40.135 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.554 21.952 40.576 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.955 23.131 38.236 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.790 21.676 37.225 1.00 0.00 H new ATOM 0 HG23 ILE A 88 22.345 22.606 37.689 1.00 0.00 H new ATOM 0 HD11 ILE A 88 22.941 22.654 42.494 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.364 21.000 41.991 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.417 22.363 41.544 1.00 0.00 H new ATOM 1384 N GLY A 89 22.017 19.129 36.838 1.00 0.00 N ATOM 1385 CA GLY A 89 22.422 18.377 35.655 1.00 0.00 C ATOM 1386 C GLY A 89 21.553 17.136 35.483 1.00 0.00 C ATOM 1387 O GLY A 89 22.059 16.015 35.437 1.00 0.00 O ATOM 0 H GLY A 89 21.040 19.423 36.835 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.341 19.009 34.771 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.468 18.085 35.744 1.00 0.00 H new ATOM 1391 N ALA A 90 20.243 17.344 35.389 1.00 0.00 N ATOM 1392 CA ALA A 90 19.301 16.241 35.222 1.00 0.00 C ATOM 1393 C ALA A 90 17.892 16.776 34.997 1.00 0.00 C ATOM 1394 O ALA A 90 17.534 17.839 35.504 1.00 0.00 O ATOM 1395 CB ALA A 90 19.324 15.347 36.459 1.00 0.00 C ATOM 0 H ALA A 90 19.809 18.266 35.426 1.00 0.00 H new ATOM 0 HA ALA A 90 19.597 15.657 34.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.619 14.526 36.328 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.327 14.945 36.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.042 15.931 37.335 1.00 0.00 H new ATOM 1401 N THR A 91 17.094 16.035 34.233 1.00 0.00 N ATOM 1402 CA THR A 91 15.722 16.440 33.942 1.00 0.00 C ATOM 1403 C THR A 91 14.733 15.573 34.710 1.00 0.00 C ATOM 1404 O THR A 91 14.341 14.502 34.248 1.00 0.00 O ATOM 1405 CB THR A 91 15.448 16.331 32.445 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.407 17.084 31.719 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.039 16.821 32.117 1.00 0.00 C ATOM 0 H THR A 91 17.373 15.152 33.805 1.00 0.00 H new ATOM 0 HA THR A 91 15.597 17.476 34.255 1.00 0.00 H new ATOM 0 HB THR A 91 15.524 15.283 32.156 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.237 18.041 31.847 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.864 16.735 31.045 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.309 16.215 32.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.937 17.863 32.419 1.00 0.00 H new ATOM 1415 N TYR A 92 14.325 16.048 35.882 1.00 0.00 N ATOM 1416 CA TYR A 92 13.372 15.324 36.715 1.00 0.00 C ATOM 1417 C TYR A 92 11.965 15.481 36.145 1.00 0.00 C ATOM 1418 O TYR A 92 11.801 15.738 34.952 1.00 0.00 O ATOM 1419 CB TYR A 92 13.433 15.858 38.145 1.00 0.00 C ATOM 1420 CG TYR A 92 14.841 15.927 38.680 1.00 0.00 C ATOM 1421 CD1 TYR A 92 15.441 14.791 39.197 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.538 17.123 38.653 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.735 14.853 39.687 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.832 17.183 39.143 1.00 0.00 C ATOM 1425 CZ TYR A 92 17.423 16.047 39.658 1.00 0.00 C ATOM 1426 OH TYR A 92 18.709 16.107 40.145 1.00 0.00 O ATOM 0 H TYR A 92 14.641 16.934 36.277 1.00 0.00 H new ATOM 0 HA TYR A 92 13.627 14.264 36.725 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.987 16.852 38.177 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.833 15.219 38.793 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.900 13.857 39.218 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.072 18.010 38.249 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.204 13.968 40.091 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.377 18.115 39.122 1.00 0.00 H new ATOM 0 HH TYR A 92 19.330 15.758 39.472 1.00 0.00 H new ATOM 1436 N ALA A 93 10.948 15.333 36.994 1.00 0.00 N ATOM 1437 CA ALA A 93 9.556 15.466 36.562 1.00 0.00 C ATOM 1438 C ALA A 93 9.109 14.232 35.789 1.00 0.00 C ATOM 1439 O ALA A 93 9.915 13.352 35.486 1.00 0.00 O ATOM 1440 CB ALA A 93 9.387 16.705 35.691 1.00 0.00 C ATOM 0 H ALA A 93 11.062 15.121 37.985 1.00 0.00 H new ATOM 0 HA ALA A 93 8.935 15.566 37.452 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.347 16.790 35.378 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.668 17.591 36.260 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.025 16.621 34.811 1.00 0.00 H new ATOM 1446 N PRO A 94 7.808 14.154 35.457 1.00 0.00 N ATOM 1447 CA PRO A 94 7.248 13.019 34.710 1.00 0.00 C ATOM 1448 C PRO A 94 7.656 13.046 33.241 1.00 0.00 C ATOM 1449 O PRO A 94 6.789 12.791 32.378 1.00 0.00 O ATOM 1450 CB PRO A 94 5.742 13.189 34.854 1.00 0.00 C ATOM 1451 CG PRO A 94 5.530 14.646 35.107 1.00 0.00 C ATOM 1452 CD PRO A 94 6.779 15.162 35.779 1.00 0.00 C ATOM 0 HA PRO A 94 7.609 12.064 35.092 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.222 12.867 33.952 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.355 12.587 35.676 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.347 15.177 34.173 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.657 14.805 35.740 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.055 16.147 35.403 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.640 15.259 36.856 1.00 0.00 H new TER 1460 PRO A 94