USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 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 58 THR OG1 : rot 180:sc= -1.06 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.68 K(o=-0.38,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.0959! (180deg=-0.622!) USER MOD Single : A 3 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.76) USER MOD Single : A 4 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.17) USER MOD Single : A 5 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.4) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00763 X(o=-0.0076,f=-0.37) USER MOD Single : A 9 SER OG : rot 180:sc= -0.144 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.0832 (180deg=-0.534) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 55:sc= 0.0864 USER MOD Single : A 22 SER OG : rot 180:sc= -0.113 USER MOD Single : A 31 MET CE :methyl -151:sc= -0.134 (180deg=-1.82) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -102:sc= 0.842 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0578 (180deg=-0.393) USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=-0.065) USER MOD Single : A 49 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.86) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.03) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0392 (180deg=-0.269) USER MOD Single : A 79 GLN : amide:sc= 0.814 K(o=0.81,f=-4!) USER MOD Single : A 80 ASN : amide:sc= 0.675 K(o=0.68,f=-0.45) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -135:sc= -2.36! (180deg=-4.92!) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0927) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.155 -10.447 18.070 1.00 62.41 N ATOM 2 CA MET A 1 37.885 -11.096 16.756 1.00 71.53 C ATOM 3 C MET A 1 36.955 -12.308 16.917 1.00 43.32 C ATOM 4 O MET A 1 37.060 -13.052 17.895 1.00 31.51 O ATOM 5 CB MET A 1 39.201 -11.550 16.104 1.00 62.24 C ATOM 6 CG MET A 1 40.212 -10.433 15.899 1.00 14.50 C ATOM 7 SD MET A 1 40.704 -9.660 17.451 1.00 5.40 S ATOM 8 CE MET A 1 41.942 -8.501 16.875 1.00 51.35 C ATOM 0 H1 MET A 1 39.154 -10.161 18.117 1.00 62.41 H new ATOM 0 H2 MET A 1 37.549 -9.608 18.174 1.00 62.41 H new ATOM 0 H3 MET A 1 37.951 -11.119 18.837 1.00 62.41 H new ATOM 0 HA MET A 1 37.395 -10.360 16.118 1.00 71.53 H new ATOM 0 HB2 MET A 1 39.653 -12.324 16.724 1.00 62.24 H new ATOM 0 HB3 MET A 1 38.978 -12.004 15.139 1.00 62.24 H new ATOM 0 HG2 MET A 1 41.094 -10.832 15.399 1.00 14.50 H new ATOM 0 HG3 MET A 1 39.786 -9.678 15.239 1.00 14.50 H new ATOM 0 HE1 MET A 1 42.342 -7.945 17.723 1.00 51.35 H new ATOM 0 HE2 MET A 1 42.749 -9.045 16.384 1.00 51.35 H new ATOM 0 HE3 MET A 1 41.489 -7.807 16.167 1.00 51.35 H new ATOM 20 N GLY A 2 36.044 -12.502 15.964 1.00 22.51 N ATOM 21 CA GLY A 2 35.169 -13.673 15.995 1.00 73.11 C ATOM 22 C GLY A 2 33.787 -13.420 15.401 1.00 60.43 C ATOM 23 O GLY A 2 33.450 -13.945 14.336 1.00 72.43 O ATOM 0 H GLY A 2 35.894 -11.875 15.174 1.00 22.51 H new ATOM 0 HA2 GLY A 2 35.646 -14.487 15.449 1.00 73.11 H new ATOM 0 HA3 GLY A 2 35.056 -14.004 17.027 1.00 73.11 H new ATOM 27 N HIS A 3 32.981 -12.607 16.083 1.00 24.04 N ATOM 28 CA HIS A 3 31.579 -12.403 15.689 1.00 73.04 C ATOM 29 C HIS A 3 31.254 -10.932 15.356 1.00 64.53 C ATOM 30 O HIS A 3 31.061 -10.103 16.245 1.00 60.23 O ATOM 31 CB HIS A 3 30.638 -12.929 16.787 1.00 14.41 C ATOM 32 CG HIS A 3 31.004 -12.485 18.174 1.00 63.24 C ATOM 33 ND1 HIS A 3 30.523 -11.331 18.746 1.00 54.31 N ATOM 34 CD2 HIS A 3 31.812 -13.048 19.108 1.00 52.14 C ATOM 35 CE1 HIS A 3 31.016 -11.198 19.959 1.00 52.11 C ATOM 36 NE2 HIS A 3 31.802 -12.225 20.207 1.00 44.33 N ATOM 0 H HIS A 3 33.268 -12.079 16.907 1.00 24.04 H new ATOM 0 HA HIS A 3 31.422 -12.970 14.771 1.00 73.04 H new ATOM 0 HB2 HIS A 3 29.622 -12.600 16.568 1.00 14.41 H new ATOM 0 HB3 HIS A 3 30.634 -14.019 16.755 1.00 14.41 H new ATOM 0 HD2 HIS A 3 32.361 -13.972 19.006 1.00 52.14 H new ATOM 0 HE1 HIS A 3 30.810 -10.383 20.637 1.00 52.11 H new ATOM 0 HE2 HIS A 3 32.318 -12.383 21.072 1.00 44.33 H new ATOM 45 N HIS A 4 31.191 -10.626 14.060 1.00 62.20 N ATOM 46 CA HIS A 4 30.717 -9.320 13.579 1.00 33.24 C ATOM 47 C HIS A 4 29.368 -9.490 12.859 1.00 11.55 C ATOM 48 O HIS A 4 29.211 -10.388 12.033 1.00 33.21 O ATOM 49 CB HIS A 4 31.756 -8.663 12.654 1.00 41.04 C ATOM 50 CG HIS A 4 32.229 -9.536 11.529 1.00 61.14 C ATOM 51 ND1 HIS A 4 31.561 -9.654 10.328 1.00 31.41 N ATOM 52 CD2 HIS A 4 33.323 -10.327 11.422 1.00 61.03 C ATOM 53 CE1 HIS A 4 32.221 -10.474 9.536 1.00 11.23 C ATOM 54 NE2 HIS A 4 33.292 -10.894 10.175 1.00 22.23 N ATOM 0 H HIS A 4 31.464 -11.268 13.316 1.00 62.20 H new ATOM 0 HA HIS A 4 30.577 -8.660 14.435 1.00 33.24 H new ATOM 0 HB2 HIS A 4 31.327 -7.753 12.235 1.00 41.04 H new ATOM 0 HB3 HIS A 4 32.617 -8.363 13.251 1.00 41.04 H new ATOM 0 HD2 HIS A 4 34.078 -10.482 12.178 1.00 61.03 H new ATOM 0 HE1 HIS A 4 31.932 -10.754 8.534 1.00 11.23 H new ATOM 0 HE2 HIS A 4 33.988 -11.539 9.801 1.00 22.23 H new ATOM 63 N HIS A 5 28.401 -8.629 13.168 1.00 23.45 N ATOM 64 CA HIS A 5 27.016 -8.838 12.721 1.00 44.42 C ATOM 65 C HIS A 5 26.496 -7.719 11.808 1.00 11.31 C ATOM 66 O HIS A 5 27.035 -6.615 11.778 1.00 55.32 O ATOM 67 CB HIS A 5 26.098 -8.959 13.944 1.00 43.14 C ATOM 68 CG HIS A 5 26.104 -7.749 14.839 1.00 52.43 C ATOM 69 ND1 HIS A 5 25.643 -6.505 14.446 1.00 3.02 N ATOM 70 CD2 HIS A 5 26.507 -7.598 16.125 1.00 31.54 C ATOM 71 CE1 HIS A 5 25.760 -5.656 15.444 1.00 14.00 C ATOM 72 NE2 HIS A 5 26.279 -6.291 16.470 1.00 74.22 N ATOM 0 H HIS A 5 28.544 -7.784 13.722 1.00 23.45 H new ATOM 0 HA HIS A 5 27.010 -9.756 12.134 1.00 44.42 H new ATOM 0 HB2 HIS A 5 25.079 -9.140 13.603 1.00 43.14 H new ATOM 0 HB3 HIS A 5 26.399 -9.830 14.526 1.00 43.14 H new ATOM 0 HD2 HIS A 5 26.929 -8.364 16.759 1.00 31.54 H new ATOM 0 HE1 HIS A 5 25.477 -4.614 15.423 1.00 14.00 H new ATOM 0 HE2 HIS A 5 26.481 -5.877 17.380 1.00 74.22 H new ATOM 81 N HIS A 6 25.427 -8.027 11.073 1.00 34.11 N ATOM 82 CA HIS A 6 24.676 -7.021 10.315 1.00 34.40 C ATOM 83 C HIS A 6 23.314 -6.784 10.980 1.00 33.31 C ATOM 84 O HIS A 6 23.144 -5.835 11.740 1.00 50.00 O ATOM 85 CB HIS A 6 24.484 -7.458 8.854 1.00 2.14 C ATOM 86 CG HIS A 6 25.755 -7.516 8.061 1.00 35.45 C ATOM 87 ND1 HIS A 6 26.060 -6.618 7.058 1.00 62.01 N ATOM 88 CD2 HIS A 6 26.796 -8.382 8.108 1.00 74.52 C ATOM 89 CE1 HIS A 6 27.223 -6.930 6.525 1.00 12.45 C ATOM 90 NE2 HIS A 6 27.692 -7.993 7.143 1.00 2.03 N ATOM 0 H HIS A 6 25.058 -8.974 10.985 1.00 34.11 H new ATOM 0 HA HIS A 6 25.246 -6.092 10.315 1.00 34.40 H new ATOM 0 HB2 HIS A 6 24.014 -8.441 8.839 1.00 2.14 H new ATOM 0 HB3 HIS A 6 23.795 -6.768 8.367 1.00 2.14 H new ATOM 0 HD2 HIS A 6 26.901 -9.222 8.779 1.00 74.52 H new ATOM 0 HE1 HIS A 6 27.709 -6.403 5.718 1.00 12.45 H new ATOM 0 HE2 HIS A 6 28.579 -8.454 6.938 1.00 2.03 H new ATOM 99 N HIS A 7 22.360 -7.680 10.716 1.00 62.24 N ATOM 100 CA HIS A 7 21.031 -7.621 11.336 1.00 34.21 C ATOM 101 C HIS A 7 20.788 -8.858 12.212 1.00 51.54 C ATOM 102 O HIS A 7 20.521 -9.948 11.708 1.00 21.21 O ATOM 103 CB HIS A 7 19.941 -7.509 10.261 1.00 45.43 C ATOM 104 CG HIS A 7 20.029 -6.258 9.437 1.00 31.11 C ATOM 105 ND1 HIS A 7 19.315 -5.115 9.724 1.00 72.23 N ATOM 106 CD2 HIS A 7 20.752 -5.972 8.326 1.00 3.31 C ATOM 107 CE1 HIS A 7 19.590 -4.186 8.831 1.00 72.22 C ATOM 108 NE2 HIS A 7 20.458 -4.680 7.973 1.00 11.22 N ATOM 0 H HIS A 7 22.484 -8.461 10.072 1.00 62.24 H new ATOM 0 HA HIS A 7 20.988 -6.735 11.969 1.00 34.21 H new ATOM 0 HB2 HIS A 7 20.005 -8.373 9.600 1.00 45.43 H new ATOM 0 HB3 HIS A 7 18.964 -7.548 10.742 1.00 45.43 H new ATOM 0 HD2 HIS A 7 21.432 -6.637 7.815 1.00 3.31 H new ATOM 0 HE1 HIS A 7 19.174 -3.189 8.807 1.00 72.22 H new ATOM 0 HE2 HIS A 7 20.849 -4.181 7.174 1.00 11.22 H new ATOM 117 N HIS A 8 20.899 -8.684 13.525 1.00 73.11 N ATOM 118 CA HIS A 8 20.763 -9.795 14.472 1.00 32.34 C ATOM 119 C HIS A 8 19.352 -9.855 15.081 1.00 13.31 C ATOM 120 O HIS A 8 19.060 -9.172 16.063 1.00 42.44 O ATOM 121 CB HIS A 8 21.822 -9.659 15.579 1.00 40.55 C ATOM 122 CG HIS A 8 21.677 -10.653 16.692 1.00 25.23 C ATOM 123 ND1 HIS A 8 21.020 -10.373 17.870 1.00 23.31 N ATOM 124 CD2 HIS A 8 22.112 -11.930 16.806 1.00 24.14 C ATOM 125 CE1 HIS A 8 21.056 -11.426 18.655 1.00 41.13 C ATOM 126 NE2 HIS A 8 21.711 -12.386 18.037 1.00 41.13 N ATOM 0 H HIS A 8 21.084 -7.782 13.963 1.00 73.11 H new ATOM 0 HA HIS A 8 20.920 -10.727 13.929 1.00 32.34 H new ATOM 0 HB2 HIS A 8 22.812 -9.769 15.135 1.00 40.55 H new ATOM 0 HB3 HIS A 8 21.769 -8.653 15.996 1.00 40.55 H new ATOM 0 HD2 HIS A 8 22.670 -12.486 16.067 1.00 24.14 H new ATOM 0 HE1 HIS A 8 20.621 -11.493 19.641 1.00 41.13 H new ATOM 0 HE2 HIS A 8 21.891 -13.317 18.412 1.00 41.13 H new ATOM 135 N SER A 9 18.480 -10.672 14.489 1.00 33.22 N ATOM 136 CA SER A 9 17.110 -10.849 14.995 1.00 3.04 C ATOM 137 C SER A 9 16.374 -11.987 14.280 1.00 21.34 C ATOM 138 O SER A 9 16.749 -12.405 13.182 1.00 71.02 O ATOM 139 CB SER A 9 16.295 -9.554 14.843 1.00 71.24 C ATOM 140 OG SER A 9 14.957 -9.725 15.299 1.00 23.41 O ATOM 0 H SER A 9 18.694 -11.224 13.658 1.00 33.22 H new ATOM 0 HA SER A 9 17.202 -11.104 16.051 1.00 3.04 H new ATOM 0 HB2 SER A 9 16.773 -8.753 15.407 1.00 71.24 H new ATOM 0 HB3 SER A 9 16.288 -9.247 13.797 1.00 71.24 H new ATOM 0 HG SER A 9 14.465 -8.885 15.191 1.00 23.41 H new ATOM 146 N HIS A 10 15.323 -12.490 14.924 1.00 54.43 N ATOM 147 CA HIS A 10 14.423 -13.477 14.314 1.00 51.34 C ATOM 148 C HIS A 10 13.025 -13.412 14.954 1.00 73.41 C ATOM 149 O HIS A 10 12.242 -14.361 14.872 1.00 21.23 O ATOM 150 CB HIS A 10 15.009 -14.896 14.419 1.00 20.10 C ATOM 151 CG HIS A 10 15.292 -15.352 15.817 1.00 44.12 C ATOM 152 ND1 HIS A 10 16.513 -15.188 16.431 1.00 32.50 N ATOM 153 CD2 HIS A 10 14.505 -15.983 16.718 1.00 73.21 C ATOM 154 CE1 HIS A 10 16.467 -15.698 17.644 1.00 24.24 C ATOM 155 NE2 HIS A 10 15.261 -16.186 17.847 1.00 74.42 N ATOM 0 H HIS A 10 15.069 -12.230 15.877 1.00 54.43 H new ATOM 0 HA HIS A 10 14.323 -13.233 13.256 1.00 51.34 H new ATOM 0 HB2 HIS A 10 14.314 -15.597 13.956 1.00 20.10 H new ATOM 0 HB3 HIS A 10 15.934 -14.936 13.843 1.00 20.10 H new ATOM 0 HD2 HIS A 10 13.474 -16.273 16.576 1.00 73.21 H new ATOM 0 HE1 HIS A 10 17.281 -15.713 18.353 1.00 24.24 H new ATOM 0 HE2 HIS A 10 14.941 -16.640 18.702 1.00 74.42 H new ATOM 164 N MET A 11 12.718 -12.273 15.577 1.00 72.12 N ATOM 165 CA MET A 11 11.408 -12.051 16.201 1.00 72.51 C ATOM 166 C MET A 11 10.388 -11.547 15.165 1.00 11.13 C ATOM 167 O MET A 11 10.337 -10.355 14.863 1.00 32.13 O ATOM 168 CB MET A 11 11.532 -11.035 17.350 1.00 51.53 C ATOM 169 CG MET A 11 10.213 -10.727 18.052 1.00 74.11 C ATOM 170 SD MET A 11 9.558 -12.138 18.965 1.00 61.15 S ATOM 171 CE MET A 11 10.801 -12.322 20.245 1.00 41.43 C ATOM 0 H MET A 11 13.360 -11.485 15.664 1.00 72.12 H new ATOM 0 HA MET A 11 11.056 -13.002 16.601 1.00 72.51 H new ATOM 0 HB2 MET A 11 12.242 -11.417 18.084 1.00 51.53 H new ATOM 0 HB3 MET A 11 11.948 -10.107 16.957 1.00 51.53 H new ATOM 0 HG2 MET A 11 10.358 -9.893 18.738 1.00 74.11 H new ATOM 0 HG3 MET A 11 9.479 -10.407 17.312 1.00 74.11 H new ATOM 0 HE1 MET A 11 10.385 -12.891 21.077 1.00 41.43 H new ATOM 0 HE2 MET A 11 11.665 -12.849 19.840 1.00 41.43 H new ATOM 0 HE3 MET A 11 11.109 -11.338 20.597 1.00 41.43 H new ATOM 181 N ALA A 12 9.594 -12.457 14.613 1.00 53.41 N ATOM 182 CA ALA A 12 8.605 -12.097 13.592 1.00 40.10 C ATOM 183 C ALA A 12 7.316 -12.921 13.732 1.00 22.12 C ATOM 184 O ALA A 12 7.358 -14.146 13.854 1.00 70.42 O ATOM 185 CB ALA A 12 9.204 -12.282 12.201 1.00 55.40 C ATOM 0 H ALA A 12 9.612 -13.449 14.851 1.00 53.41 H new ATOM 0 HA ALA A 12 8.341 -11.049 13.736 1.00 40.10 H new ATOM 0 HB1 ALA A 12 8.464 -12.013 11.447 1.00 55.40 H new ATOM 0 HB2 ALA A 12 10.080 -11.642 12.094 1.00 55.40 H new ATOM 0 HB3 ALA A 12 9.497 -13.323 12.066 1.00 55.40 H new ATOM 191 N LYS A 13 6.172 -12.240 13.720 1.00 31.30 N ATOM 192 CA LYS A 13 4.864 -12.905 13.774 1.00 42.11 C ATOM 193 C LYS A 13 3.774 -12.031 13.131 1.00 35.05 C ATOM 194 O LYS A 13 3.558 -10.889 13.546 1.00 2.34 O ATOM 195 CB LYS A 13 4.478 -13.240 15.227 1.00 21.51 C ATOM 196 CG LYS A 13 4.528 -12.047 16.181 1.00 74.43 C ATOM 197 CD LYS A 13 3.828 -12.341 17.507 1.00 53.33 C ATOM 198 CE LYS A 13 4.402 -13.568 18.207 1.00 72.44 C ATOM 199 NZ LYS A 13 3.724 -13.828 19.505 1.00 21.12 N ATOM 0 H LYS A 13 6.121 -11.222 13.673 1.00 31.30 H new ATOM 0 HA LYS A 13 4.943 -13.834 13.209 1.00 42.11 H new ATOM 0 HB2 LYS A 13 3.471 -13.656 15.236 1.00 21.51 H new ATOM 0 HB3 LYS A 13 5.147 -14.016 15.599 1.00 21.51 H new ATOM 0 HG2 LYS A 13 5.567 -11.779 16.372 1.00 74.43 H new ATOM 0 HG3 LYS A 13 4.059 -11.185 15.707 1.00 74.43 H new ATOM 0 HD2 LYS A 13 3.920 -11.475 18.163 1.00 53.33 H new ATOM 0 HD3 LYS A 13 2.764 -12.493 17.327 1.00 53.33 H new ATOM 0 HE2 LYS A 13 4.296 -14.439 17.560 1.00 72.44 H new ATOM 0 HE3 LYS A 13 5.469 -13.425 18.376 1.00 72.44 H new ATOM 0 HZ1 LYS A 13 4.141 -14.670 19.952 1.00 21.12 H new ATOM 0 HZ2 LYS A 13 3.847 -13.007 20.131 1.00 21.12 H new ATOM 0 HZ3 LYS A 13 2.710 -13.990 19.341 1.00 21.12 H new ATOM 213 N PRO A 14 3.081 -12.543 12.096 1.00 13.11 N ATOM 214 CA PRO A 14 1.983 -11.811 11.453 1.00 62.45 C ATOM 215 C PRO A 14 0.694 -11.838 12.294 1.00 42.33 C ATOM 216 O PRO A 14 -0.189 -12.675 12.087 1.00 61.53 O ATOM 217 CB PRO A 14 1.797 -12.554 10.127 1.00 55.15 C ATOM 218 CG PRO A 14 2.227 -13.956 10.417 1.00 22.44 C ATOM 219 CD PRO A 14 3.309 -13.864 11.467 1.00 14.33 C ATOM 0 HA PRO A 14 2.206 -10.751 11.328 1.00 62.45 H new ATOM 0 HB2 PRO A 14 0.760 -12.518 9.795 1.00 55.15 H new ATOM 0 HB3 PRO A 14 2.401 -12.110 9.336 1.00 55.15 H new ATOM 0 HG2 PRO A 14 1.388 -14.553 10.775 1.00 22.44 H new ATOM 0 HG3 PRO A 14 2.601 -14.441 9.516 1.00 22.44 H new ATOM 0 HD2 PRO A 14 3.230 -14.672 12.194 1.00 14.33 H new ATOM 0 HD3 PRO A 14 4.303 -13.930 11.024 1.00 14.33 H new ATOM 227 N THR A 15 0.604 -10.935 13.266 1.00 20.13 N ATOM 228 CA THR A 15 -0.574 -10.851 14.134 1.00 44.22 C ATOM 229 C THR A 15 -1.771 -10.210 13.412 1.00 0.13 C ATOM 230 O THR A 15 -2.093 -9.037 13.614 1.00 72.54 O ATOM 231 CB THR A 15 -0.268 -10.076 15.443 1.00 12.32 C ATOM 232 OG1 THR A 15 0.375 -8.825 15.146 1.00 44.32 O ATOM 233 CG2 THR A 15 0.616 -10.899 16.376 1.00 53.45 C ATOM 0 H THR A 15 1.330 -10.250 13.475 1.00 20.13 H new ATOM 0 HA THR A 15 -0.840 -11.876 14.394 1.00 44.22 H new ATOM 0 HB THR A 15 -1.216 -9.883 15.945 1.00 12.32 H new ATOM 0 HG1 THR A 15 -0.178 -8.314 14.519 1.00 44.32 H new ATOM 0 HG21 THR A 15 0.814 -10.331 17.285 1.00 53.45 H new ATOM 0 HG22 THR A 15 0.108 -11.829 16.633 1.00 53.45 H new ATOM 0 HG23 THR A 15 1.558 -11.126 15.878 1.00 53.45 H new ATOM 241 N ALA A 16 -2.412 -10.999 12.551 1.00 13.13 N ATOM 242 CA ALA A 16 -3.599 -10.567 11.806 1.00 75.15 C ATOM 243 C ALA A 16 -4.690 -11.645 11.861 1.00 31.13 C ATOM 244 O ALA A 16 -4.388 -12.836 11.959 1.00 51.54 O ATOM 245 CB ALA A 16 -3.226 -10.253 10.358 1.00 11.14 C ATOM 0 H ALA A 16 -2.125 -11.957 12.348 1.00 13.13 H new ATOM 0 HA ALA A 16 -3.991 -9.661 12.268 1.00 75.15 H new ATOM 0 HB1 ALA A 16 -4.115 -9.933 9.814 1.00 11.14 H new ATOM 0 HB2 ALA A 16 -2.483 -9.456 10.338 1.00 11.14 H new ATOM 0 HB3 ALA A 16 -2.814 -11.145 9.887 1.00 11.14 H new ATOM 251 N ARG A 17 -5.954 -11.233 11.802 1.00 75.40 N ATOM 252 CA ARG A 17 -7.078 -12.171 11.944 1.00 53.44 C ATOM 253 C ARG A 17 -7.727 -12.505 10.590 1.00 42.23 C ATOM 254 O ARG A 17 -8.332 -13.567 10.429 1.00 10.33 O ATOM 255 CB ARG A 17 -8.123 -11.588 12.909 1.00 35.21 C ATOM 256 CG ARG A 17 -7.533 -11.157 14.251 1.00 62.40 C ATOM 257 CD ARG A 17 -8.606 -10.677 15.223 1.00 71.15 C ATOM 258 NE ARG A 17 -9.494 -11.761 15.643 1.00 31.24 N ATOM 259 CZ ARG A 17 -10.389 -11.651 16.589 1.00 74.33 C ATOM 260 NH1 ARG A 17 -10.533 -10.536 17.233 1.00 25.22 N ATOM 261 NH2 ARG A 17 -11.137 -12.660 16.888 1.00 3.22 N ATOM 0 H ARG A 17 -6.231 -10.262 11.658 1.00 75.40 H new ATOM 0 HA ARG A 17 -6.685 -13.103 12.351 1.00 53.44 H new ATOM 0 HB2 ARG A 17 -8.603 -10.730 12.439 1.00 35.21 H new ATOM 0 HB3 ARG A 17 -8.901 -12.332 13.084 1.00 35.21 H new ATOM 0 HG2 ARG A 17 -6.992 -11.993 14.694 1.00 62.40 H new ATOM 0 HG3 ARG A 17 -6.809 -10.359 14.088 1.00 62.40 H new ATOM 0 HD2 ARG A 17 -8.130 -10.239 16.100 1.00 71.15 H new ATOM 0 HD3 ARG A 17 -9.194 -9.889 14.753 1.00 71.15 H new ATOM 0 HE ARG A 17 -9.409 -12.659 15.168 1.00 31.24 H new ATOM 0 HH11 ARG A 17 -9.945 -9.735 17.003 1.00 25.22 H new ATOM 0 HH12 ARG A 17 -11.234 -10.459 17.970 1.00 25.22 H new ATOM 0 HH21 ARG A 17 -11.029 -13.541 16.386 1.00 3.22 H new ATOM 0 HH22 ARG A 17 -11.836 -12.576 17.626 1.00 3.22 H new ATOM 275 N GLY A 18 -7.616 -11.595 9.624 1.00 73.05 N ATOM 276 CA GLY A 18 -8.191 -11.824 8.298 1.00 20.05 C ATOM 277 C GLY A 18 -9.689 -11.527 8.231 1.00 62.41 C ATOM 278 O GLY A 18 -10.151 -10.814 7.336 1.00 4.43 O ATOM 0 H GLY A 18 -7.138 -10.700 9.732 1.00 73.05 H new ATOM 0 HA2 GLY A 18 -7.671 -11.200 7.571 1.00 20.05 H new ATOM 0 HA3 GLY A 18 -8.020 -12.861 8.009 1.00 20.05 H new ATOM 282 N GLU A 19 -10.448 -12.083 9.175 1.00 52.43 N ATOM 283 CA GLU A 19 -11.892 -11.837 9.268 1.00 64.32 C ATOM 284 C GLU A 19 -12.205 -10.332 9.362 1.00 31.12 C ATOM 285 O GLU A 19 -11.464 -9.572 9.988 1.00 43.30 O ATOM 286 CB GLU A 19 -12.466 -12.564 10.493 1.00 54.44 C ATOM 287 CG GLU A 19 -11.813 -12.153 11.810 1.00 52.15 C ATOM 288 CD GLU A 19 -12.446 -12.824 13.015 1.00 72.22 C ATOM 289 OE1 GLU A 19 -13.412 -12.264 13.572 1.00 64.03 O ATOM 290 OE2 GLU A 19 -11.986 -13.916 13.409 1.00 14.13 O ATOM 0 H GLU A 19 -10.086 -12.712 9.892 1.00 52.43 H new ATOM 0 HA GLU A 19 -12.357 -12.221 8.360 1.00 64.32 H new ATOM 0 HB2 GLU A 19 -13.537 -12.369 10.552 1.00 54.44 H new ATOM 0 HB3 GLU A 19 -12.345 -13.639 10.357 1.00 54.44 H new ATOM 0 HG2 GLU A 19 -10.752 -12.401 11.777 1.00 52.15 H new ATOM 0 HG3 GLU A 19 -11.884 -11.071 11.923 1.00 52.15 H new ATOM 297 N ALA A 20 -13.297 -9.910 8.719 1.00 63.31 N ATOM 298 CA ALA A 20 -13.726 -8.499 8.722 1.00 73.12 C ATOM 299 C ALA A 20 -12.745 -7.582 7.964 1.00 11.21 C ATOM 300 O ALA A 20 -12.940 -6.366 7.906 1.00 34.44 O ATOM 301 CB ALA A 20 -13.931 -7.999 10.153 1.00 12.10 C ATOM 0 H ALA A 20 -13.908 -10.527 8.184 1.00 63.31 H new ATOM 0 HA ALA A 20 -14.677 -8.457 8.192 1.00 73.12 H new ATOM 0 HB1 ALA A 20 -14.247 -6.956 10.132 1.00 12.10 H new ATOM 0 HB2 ALA A 20 -14.697 -8.601 10.642 1.00 12.10 H new ATOM 0 HB3 ALA A 20 -12.995 -8.083 10.705 1.00 12.10 H new ATOM 307 N GLY A 21 -11.699 -8.166 7.380 1.00 15.30 N ATOM 308 CA GLY A 21 -10.728 -7.388 6.623 1.00 55.02 C ATOM 309 C GLY A 21 -11.094 -7.249 5.149 1.00 50.30 C ATOM 310 O GLY A 21 -11.983 -7.939 4.647 1.00 71.23 O ATOM 0 H GLY A 21 -11.506 -9.167 7.418 1.00 15.30 H new ATOM 0 HA2 GLY A 21 -10.642 -6.396 7.065 1.00 55.02 H new ATOM 0 HA3 GLY A 21 -9.749 -7.860 6.706 1.00 55.02 H new ATOM 314 N SER A 22 -10.407 -6.351 4.454 1.00 52.11 N ATOM 315 CA SER A 22 -10.641 -6.120 3.021 1.00 32.05 C ATOM 316 C SER A 22 -9.968 -7.195 2.156 1.00 21.12 C ATOM 317 O SER A 22 -9.347 -8.131 2.666 1.00 24.31 O ATOM 318 CB SER A 22 -10.096 -4.746 2.615 1.00 51.00 C ATOM 319 OG SER A 22 -8.679 -4.701 2.721 1.00 34.14 O ATOM 0 H SER A 22 -9.677 -5.764 4.857 1.00 52.11 H new ATOM 0 HA SER A 22 -11.717 -6.164 2.856 1.00 32.05 H new ATOM 0 HB2 SER A 22 -10.394 -4.523 1.590 1.00 51.00 H new ATOM 0 HB3 SER A 22 -10.535 -3.976 3.250 1.00 51.00 H new ATOM 0 HG SER A 22 -8.359 -3.814 2.454 1.00 34.14 H new ATOM 325 N ARG A 23 -10.097 -7.050 0.837 1.00 45.23 N ATOM 326 CA ARG A 23 -9.404 -7.920 -0.117 1.00 4.43 C ATOM 327 C ARG A 23 -7.886 -7.888 0.123 1.00 0.13 C ATOM 328 O ARG A 23 -7.223 -8.926 0.204 1.00 10.02 O ATOM 329 CB ARG A 23 -9.689 -7.448 -1.551 1.00 24.45 C ATOM 330 CG ARG A 23 -9.068 -8.327 -2.637 1.00 3.14 C ATOM 331 CD ARG A 23 -8.944 -7.584 -3.965 1.00 30.53 C ATOM 332 NE ARG A 23 -7.925 -6.530 -3.912 1.00 32.43 N ATOM 333 CZ ARG A 23 -7.319 -6.038 -4.961 1.00 11.24 C ATOM 334 NH1 ARG A 23 -7.668 -6.391 -6.156 1.00 50.23 N ATOM 335 NH2 ARG A 23 -6.371 -5.172 -4.805 1.00 12.31 N ATOM 0 H ARG A 23 -10.679 -6.334 0.402 1.00 45.23 H new ATOM 0 HA ARG A 23 -9.767 -8.938 0.022 1.00 4.43 H new ATOM 0 HB2 ARG A 23 -10.768 -7.412 -1.702 1.00 24.45 H new ATOM 0 HB3 ARG A 23 -9.317 -6.430 -1.667 1.00 24.45 H new ATOM 0 HG2 ARG A 23 -8.082 -8.662 -2.314 1.00 3.14 H new ATOM 0 HG3 ARG A 23 -9.678 -9.220 -2.775 1.00 3.14 H new ATOM 0 HD2 ARG A 23 -8.692 -8.292 -4.754 1.00 30.53 H new ATOM 0 HD3 ARG A 23 -9.907 -7.145 -4.226 1.00 30.53 H new ATOM 0 HE ARG A 23 -7.673 -6.157 -2.997 1.00 32.43 H new ATOM 0 HH11 ARG A 23 -8.425 -7.061 -6.289 1.00 50.23 H new ATOM 0 HH12 ARG A 23 -7.186 -5.999 -6.965 1.00 50.23 H new ATOM 0 HH21 ARG A 23 -6.100 -4.876 -3.867 1.00 12.31 H new ATOM 0 HH22 ARG A 23 -5.895 -4.785 -5.620 1.00 12.31 H new ATOM 349 N ASP A 24 -7.353 -6.676 0.250 1.00 3.21 N ATOM 350 CA ASP A 24 -5.912 -6.459 0.366 1.00 12.34 C ATOM 351 C ASP A 24 -5.359 -6.931 1.721 1.00 24.41 C ATOM 352 O ASP A 24 -4.170 -7.232 1.841 1.00 34.33 O ATOM 353 CB ASP A 24 -5.610 -4.980 0.135 1.00 12.14 C ATOM 354 CG ASP A 24 -6.194 -4.497 -1.182 1.00 22.12 C ATOM 355 OD1 ASP A 24 -5.574 -4.741 -2.238 1.00 34.53 O ATOM 356 OD2 ASP A 24 -7.295 -3.904 -1.171 1.00 64.31 O ATOM 0 H ASP A 24 -7.905 -5.818 0.275 1.00 3.21 H new ATOM 0 HA ASP A 24 -5.411 -7.059 -0.394 1.00 12.34 H new ATOM 0 HB2 ASP A 24 -6.020 -4.390 0.955 1.00 12.14 H new ATOM 0 HB3 ASP A 24 -4.531 -4.822 0.137 1.00 12.14 H new ATOM 361 N GLU A 25 -6.222 -7.000 2.736 1.00 20.32 N ATOM 362 CA GLU A 25 -5.834 -7.543 4.047 1.00 51.53 C ATOM 363 C GLU A 25 -5.255 -8.964 3.918 1.00 60.35 C ATOM 364 O GLU A 25 -4.236 -9.287 4.534 1.00 44.33 O ATOM 365 CB GLU A 25 -7.036 -7.536 5.003 1.00 52.55 C ATOM 366 CG GLU A 25 -7.370 -6.155 5.562 1.00 60.14 C ATOM 367 CD GLU A 25 -6.307 -5.630 6.518 1.00 2.33 C ATOM 368 OE1 GLU A 25 -5.303 -5.056 6.049 1.00 1.02 O ATOM 369 OE2 GLU A 25 -6.470 -5.795 7.744 1.00 23.43 O ATOM 0 H GLU A 25 -7.192 -6.689 2.680 1.00 20.32 H new ATOM 0 HA GLU A 25 -5.053 -6.903 4.458 1.00 51.53 H new ATOM 0 HB2 GLU A 25 -7.908 -7.926 4.478 1.00 52.55 H new ATOM 0 HB3 GLU A 25 -6.833 -8.214 5.832 1.00 52.55 H new ATOM 0 HG2 GLU A 25 -7.488 -5.453 4.736 1.00 60.14 H new ATOM 0 HG3 GLU A 25 -8.328 -6.200 6.081 1.00 60.14 H new ATOM 376 N ARG A 26 -5.899 -9.804 3.102 1.00 52.03 N ATOM 377 CA ARG A 26 -5.377 -11.148 2.815 1.00 42.45 C ATOM 378 C ARG A 26 -3.994 -11.072 2.158 1.00 30.44 C ATOM 379 O ARG A 26 -3.063 -11.775 2.550 1.00 75.00 O ATOM 380 CB ARG A 26 -6.327 -11.929 1.893 1.00 41.02 C ATOM 381 CG ARG A 26 -7.561 -12.506 2.581 1.00 63.23 C ATOM 382 CD ARG A 26 -8.573 -11.442 2.989 1.00 74.23 C ATOM 383 NE ARG A 26 -9.824 -12.051 3.429 1.00 45.14 N ATOM 384 CZ ARG A 26 -10.918 -11.395 3.686 1.00 53.01 C ATOM 385 NH1 ARG A 26 -10.951 -10.103 3.607 1.00 4.12 N ATOM 386 NH2 ARG A 26 -11.988 -12.039 4.020 1.00 0.13 N ATOM 0 H ARG A 26 -6.776 -9.582 2.631 1.00 52.03 H new ATOM 0 HA ARG A 26 -5.296 -11.670 3.769 1.00 42.45 H new ATOM 0 HB2 ARG A 26 -6.653 -11.269 1.089 1.00 41.02 H new ATOM 0 HB3 ARG A 26 -5.772 -12.745 1.431 1.00 41.02 H new ATOM 0 HG2 ARG A 26 -8.043 -13.219 1.911 1.00 63.23 H new ATOM 0 HG3 ARG A 26 -7.250 -13.061 3.466 1.00 63.23 H new ATOM 0 HD2 ARG A 26 -8.160 -10.831 3.792 1.00 74.23 H new ATOM 0 HD3 ARG A 26 -8.765 -10.776 2.148 1.00 74.23 H new ATOM 0 HE ARG A 26 -9.842 -13.064 3.543 1.00 45.14 H new ATOM 0 HH11 ARG A 26 -10.113 -9.587 3.341 1.00 4.12 H new ATOM 0 HH12 ARG A 26 -11.815 -9.601 3.811 1.00 4.12 H new ATOM 0 HH21 ARG A 26 -11.972 -13.057 4.081 1.00 0.13 H new ATOM 0 HH22 ARG A 26 -12.848 -11.529 4.222 1.00 0.13 H new ATOM 400 N ARG A 27 -3.876 -10.208 1.156 1.00 43.31 N ATOM 401 CA ARG A 27 -2.623 -10.031 0.418 1.00 73.43 C ATOM 402 C ARG A 27 -1.478 -9.595 1.350 1.00 44.43 C ATOM 403 O ARG A 27 -0.337 -10.048 1.209 1.00 44.32 O ATOM 404 CB ARG A 27 -2.828 -8.995 -0.695 1.00 1.23 C ATOM 405 CG ARG A 27 -3.950 -9.353 -1.669 1.00 45.21 C ATOM 406 CD ARG A 27 -3.639 -10.620 -2.462 1.00 64.24 C ATOM 407 NE ARG A 27 -4.784 -11.057 -3.261 1.00 1.44 N ATOM 408 CZ ARG A 27 -4.707 -11.512 -4.481 1.00 31.32 C ATOM 409 NH1 ARG A 27 -3.568 -11.586 -5.093 1.00 53.30 N ATOM 410 NH2 ARG A 27 -5.780 -11.899 -5.090 1.00 50.31 N ATOM 0 H ARG A 27 -4.638 -9.613 0.831 1.00 43.31 H new ATOM 0 HA ARG A 27 -2.343 -10.989 -0.021 1.00 73.43 H new ATOM 0 HB2 ARG A 27 -3.046 -8.028 -0.243 1.00 1.23 H new ATOM 0 HB3 ARG A 27 -1.897 -8.884 -1.252 1.00 1.23 H new ATOM 0 HG2 ARG A 27 -4.879 -9.491 -1.116 1.00 45.21 H new ATOM 0 HG3 ARG A 27 -4.109 -8.524 -2.359 1.00 45.21 H new ATOM 0 HD2 ARG A 27 -2.787 -10.439 -3.117 1.00 64.24 H new ATOM 0 HD3 ARG A 27 -3.350 -11.416 -1.776 1.00 64.24 H new ATOM 0 HE ARG A 27 -5.708 -11.002 -2.834 1.00 1.44 H new ATOM 0 HH11 ARG A 27 -2.715 -11.286 -4.621 1.00 53.30 H new ATOM 0 HH12 ARG A 27 -3.524 -11.944 -6.047 1.00 53.30 H new ATOM 0 HH21 ARG A 27 -6.682 -11.848 -4.616 1.00 50.31 H new ATOM 0 HH22 ARG A 27 -5.725 -12.255 -6.044 1.00 50.31 H new ATOM 424 N ALA A 28 -1.797 -8.726 2.308 1.00 54.23 N ATOM 425 CA ALA A 28 -0.812 -8.235 3.277 1.00 13.45 C ATOM 426 C ALA A 28 -0.244 -9.370 4.145 1.00 22.22 C ATOM 427 O ALA A 28 0.973 -9.537 4.249 1.00 55.33 O ATOM 428 CB ALA A 28 -1.438 -7.159 4.156 1.00 33.20 C ATOM 0 H ALA A 28 -2.734 -8.344 2.436 1.00 54.23 H new ATOM 0 HA ALA A 28 0.019 -7.807 2.717 1.00 13.45 H new ATOM 0 HB1 ALA A 28 -0.700 -6.800 4.873 1.00 33.20 H new ATOM 0 HB2 ALA A 28 -1.773 -6.329 3.533 1.00 33.20 H new ATOM 0 HB3 ALA A 28 -2.290 -7.577 4.692 1.00 33.20 H new ATOM 434 N LEU A 29 -1.129 -10.152 4.763 1.00 0.44 N ATOM 435 CA LEU A 29 -0.707 -11.256 5.635 1.00 32.40 C ATOM 436 C LEU A 29 -0.163 -12.452 4.825 1.00 4.21 C ATOM 437 O LEU A 29 0.586 -13.275 5.350 1.00 21.43 O ATOM 438 CB LEU A 29 -1.867 -11.678 6.565 1.00 24.21 C ATOM 439 CG LEU A 29 -3.198 -12.067 5.880 1.00 74.50 C ATOM 440 CD1 LEU A 29 -3.173 -13.511 5.377 1.00 21.23 C ATOM 441 CD2 LEU A 29 -4.377 -11.845 6.829 1.00 23.45 C ATOM 0 H LEU A 29 -2.140 -10.045 4.679 1.00 0.44 H new ATOM 0 HA LEU A 29 0.116 -10.900 6.255 1.00 32.40 H new ATOM 0 HB2 LEU A 29 -1.532 -12.525 7.164 1.00 24.21 H new ATOM 0 HB3 LEU A 29 -2.066 -10.858 7.255 1.00 24.21 H new ATOM 0 HG LEU A 29 -3.323 -11.420 5.012 1.00 74.50 H new ATOM 0 HD11 LEU A 29 -4.125 -13.747 4.902 1.00 21.23 H new ATOM 0 HD12 LEU A 29 -2.367 -13.630 4.653 1.00 21.23 H new ATOM 0 HD13 LEU A 29 -3.009 -14.186 6.217 1.00 21.23 H new ATOM 0 HD21 LEU A 29 -5.304 -12.124 6.329 1.00 23.45 H new ATOM 0 HD22 LEU A 29 -4.247 -12.458 7.721 1.00 23.45 H new ATOM 0 HD23 LEU A 29 -4.421 -10.794 7.115 1.00 23.45 H new ATOM 453 N ALA A 30 -0.536 -12.539 3.546 1.00 13.33 N ATOM 454 CA ALA A 30 -0.038 -13.605 2.662 1.00 25.33 C ATOM 455 C ALA A 30 1.433 -13.377 2.277 1.00 42.20 C ATOM 456 O ALA A 30 2.261 -14.285 2.360 1.00 71.10 O ATOM 457 CB ALA A 30 -0.904 -13.704 1.407 1.00 73.11 C ATOM 0 H ALA A 30 -1.180 -11.888 3.097 1.00 13.33 H new ATOM 0 HA ALA A 30 -0.098 -14.545 3.210 1.00 25.33 H new ATOM 0 HB1 ALA A 30 -0.523 -14.497 0.763 1.00 73.11 H new ATOM 0 HB2 ALA A 30 -1.932 -13.930 1.691 1.00 73.11 H new ATOM 0 HB3 ALA A 30 -0.876 -12.756 0.870 1.00 73.11 H new ATOM 463 N MET A 31 1.752 -12.153 1.858 1.00 72.13 N ATOM 464 CA MET A 31 3.124 -11.790 1.479 1.00 40.23 C ATOM 465 C MET A 31 3.916 -11.256 2.685 1.00 51.42 C ATOM 466 O MET A 31 5.078 -10.873 2.554 1.00 3.01 O ATOM 467 CB MET A 31 3.095 -10.739 0.359 1.00 32.22 C ATOM 468 CG MET A 31 2.398 -11.220 -0.907 1.00 20.10 C ATOM 469 SD MET A 31 3.296 -12.545 -1.735 1.00 53.24 S ATOM 470 CE MET A 31 4.775 -11.670 -2.247 1.00 62.25 C ATOM 0 H MET A 31 1.079 -11.391 1.771 1.00 72.13 H new ATOM 0 HA MET A 31 3.626 -12.689 1.121 1.00 40.23 H new ATOM 0 HB2 MET A 31 2.591 -9.844 0.724 1.00 32.22 H new ATOM 0 HB3 MET A 31 4.118 -10.452 0.115 1.00 32.22 H new ATOM 0 HG2 MET A 31 1.396 -11.568 -0.655 1.00 20.10 H new ATOM 0 HG3 MET A 31 2.281 -10.381 -1.594 1.00 20.10 H new ATOM 0 HE1 MET A 31 5.172 -12.126 -3.154 1.00 62.25 H new ATOM 0 HE2 MET A 31 4.531 -10.626 -2.443 1.00 62.25 H new ATOM 0 HE3 MET A 31 5.523 -11.725 -1.456 1.00 62.25 H new ATOM 480 N LYS A 32 3.268 -11.247 3.853 1.00 1.30 N ATOM 481 CA LYS A 32 3.857 -10.737 5.102 1.00 21.54 C ATOM 482 C LYS A 32 4.392 -9.303 4.940 1.00 33.11 C ATOM 483 O LYS A 32 5.601 -9.070 4.845 1.00 13.11 O ATOM 484 CB LYS A 32 4.954 -11.679 5.635 1.00 10.02 C ATOM 485 CG LYS A 32 4.469 -13.113 5.864 1.00 45.44 C ATOM 486 CD LYS A 32 5.380 -13.898 6.807 1.00 74.31 C ATOM 487 CE LYS A 32 6.812 -13.999 6.293 1.00 50.44 C ATOM 488 NZ LYS A 32 7.672 -14.772 7.228 1.00 10.30 N ATOM 0 H LYS A 32 2.315 -11.594 3.963 1.00 1.30 H new ATOM 0 HA LYS A 32 3.056 -10.705 5.841 1.00 21.54 H new ATOM 0 HB2 LYS A 32 5.784 -11.693 4.929 1.00 10.02 H new ATOM 0 HB3 LYS A 32 5.340 -11.280 6.573 1.00 10.02 H new ATOM 0 HG2 LYS A 32 3.460 -13.090 6.275 1.00 45.44 H new ATOM 0 HG3 LYS A 32 4.411 -13.630 4.906 1.00 45.44 H new ATOM 0 HD2 LYS A 32 5.383 -13.418 7.786 1.00 74.31 H new ATOM 0 HD3 LYS A 32 4.976 -14.901 6.945 1.00 74.31 H new ATOM 0 HE2 LYS A 32 6.815 -14.477 5.314 1.00 50.44 H new ATOM 0 HE3 LYS A 32 7.224 -12.999 6.161 1.00 50.44 H new ATOM 0 HZ1 LYS A 32 8.639 -14.822 6.849 1.00 10.30 H new ATOM 0 HZ2 LYS A 32 7.687 -14.301 8.155 1.00 10.30 H new ATOM 0 HZ3 LYS A 32 7.292 -15.734 7.334 1.00 10.30 H new ATOM 502 N ILE A 33 3.468 -8.348 4.881 1.00 32.34 N ATOM 503 CA ILE A 33 3.811 -6.931 4.759 1.00 20.33 C ATOM 504 C ILE A 33 3.914 -6.271 6.150 1.00 24.33 C ATOM 505 O ILE A 33 2.933 -6.221 6.894 1.00 34.10 O ATOM 506 CB ILE A 33 2.755 -6.188 3.899 1.00 44.03 C ATOM 507 CG1 ILE A 33 2.642 -6.828 2.501 1.00 0.33 C ATOM 508 CG2 ILE A 33 3.095 -4.703 3.783 1.00 44.24 C ATOM 509 CD1 ILE A 33 3.940 -6.848 1.717 1.00 12.03 C ATOM 0 H ILE A 33 2.465 -8.531 4.916 1.00 32.34 H new ATOM 0 HA ILE A 33 4.781 -6.860 4.267 1.00 20.33 H new ATOM 0 HB ILE A 33 1.790 -6.279 4.397 1.00 44.03 H new ATOM 0 HG12 ILE A 33 2.282 -7.851 2.611 1.00 0.33 H new ATOM 0 HG13 ILE A 33 1.892 -6.286 1.926 1.00 0.33 H new ATOM 0 HG21 ILE A 33 2.340 -4.203 3.176 1.00 44.24 H new ATOM 0 HG22 ILE A 33 3.115 -4.256 4.777 1.00 44.24 H new ATOM 0 HG23 ILE A 33 4.072 -4.589 3.314 1.00 44.24 H new ATOM 0 HD11 ILE A 33 3.772 -7.315 0.746 1.00 12.03 H new ATOM 0 HD12 ILE A 33 4.293 -5.827 1.572 1.00 12.03 H new ATOM 0 HD13 ILE A 33 4.689 -7.417 2.268 1.00 12.03 H new ATOM 521 N PRO A 34 5.100 -5.737 6.508 1.00 43.21 N ATOM 522 CA PRO A 34 5.358 -5.178 7.857 1.00 63.31 C ATOM 523 C PRO A 34 4.652 -3.831 8.147 1.00 52.45 C ATOM 524 O PRO A 34 5.013 -3.130 9.098 1.00 72.10 O ATOM 525 CB PRO A 34 6.883 -5.000 7.863 1.00 53.01 C ATOM 526 CG PRO A 34 7.242 -4.792 6.432 1.00 71.25 C ATOM 527 CD PRO A 34 6.295 -5.654 5.642 1.00 60.14 C ATOM 0 HA PRO A 34 4.966 -5.836 8.633 1.00 63.31 H new ATOM 0 HB2 PRO A 34 7.180 -4.148 8.474 1.00 53.01 H new ATOM 0 HB3 PRO A 34 7.383 -5.877 8.274 1.00 53.01 H new ATOM 0 HG2 PRO A 34 7.142 -3.743 6.152 1.00 71.25 H new ATOM 0 HG3 PRO A 34 8.278 -5.075 6.244 1.00 71.25 H new ATOM 0 HD2 PRO A 34 6.060 -5.210 4.675 1.00 60.14 H new ATOM 0 HD3 PRO A 34 6.718 -6.639 5.446 1.00 60.14 H new ATOM 535 N PHE A 35 3.652 -3.481 7.338 1.00 63.01 N ATOM 536 CA PHE A 35 2.854 -2.266 7.561 1.00 63.23 C ATOM 537 C PHE A 35 1.405 -2.452 7.063 1.00 44.24 C ATOM 538 O PHE A 35 1.161 -3.177 6.096 1.00 53.33 O ATOM 539 CB PHE A 35 3.516 -1.044 6.897 1.00 44.03 C ATOM 540 CG PHE A 35 3.852 -1.217 5.435 1.00 35.12 C ATOM 541 CD1 PHE A 35 2.935 -0.882 4.446 1.00 33.00 C ATOM 542 CD2 PHE A 35 5.098 -1.699 5.052 1.00 43.03 C ATOM 543 CE1 PHE A 35 3.254 -1.030 3.111 1.00 73.25 C ATOM 544 CE2 PHE A 35 5.417 -1.845 3.718 1.00 45.11 C ATOM 545 CZ PHE A 35 4.495 -1.510 2.746 1.00 43.34 C ATOM 0 H PHE A 35 3.371 -4.021 6.519 1.00 63.01 H new ATOM 0 HA PHE A 35 2.814 -2.084 8.635 1.00 63.23 H new ATOM 0 HB2 PHE A 35 2.851 -0.187 7.003 1.00 44.03 H new ATOM 0 HB3 PHE A 35 4.431 -0.806 7.439 1.00 44.03 H new ATOM 0 HD1 PHE A 35 1.963 -0.502 4.725 1.00 33.00 H new ATOM 0 HD2 PHE A 35 5.824 -1.962 5.807 1.00 43.03 H new ATOM 0 HE1 PHE A 35 2.531 -0.770 2.352 1.00 73.25 H new ATOM 0 HE2 PHE A 35 6.388 -2.222 3.433 1.00 45.11 H new ATOM 0 HZ PHE A 35 4.745 -1.624 1.701 1.00 43.34 H new ATOM 555 N PRO A 36 0.423 -1.805 7.727 1.00 20.23 N ATOM 556 CA PRO A 36 -1.013 -2.003 7.429 1.00 73.33 C ATOM 557 C PRO A 36 -1.467 -1.404 6.082 1.00 62.33 C ATOM 558 O PRO A 36 -0.944 -0.383 5.629 1.00 41.04 O ATOM 559 CB PRO A 36 -1.708 -1.287 8.596 1.00 52.13 C ATOM 560 CG PRO A 36 -0.740 -0.235 9.020 1.00 61.32 C ATOM 561 CD PRO A 36 0.627 -0.834 8.823 1.00 0.21 C ATOM 0 HA PRO A 36 -1.252 -3.062 7.335 1.00 73.33 H new ATOM 0 HB2 PRO A 36 -2.657 -0.851 8.285 1.00 52.13 H new ATOM 0 HB3 PRO A 36 -1.926 -1.977 9.411 1.00 52.13 H new ATOM 0 HG2 PRO A 36 -0.860 0.670 8.425 1.00 61.32 H new ATOM 0 HG3 PRO A 36 -0.898 0.045 10.061 1.00 61.32 H new ATOM 0 HD2 PRO A 36 1.363 -0.076 8.556 1.00 0.21 H new ATOM 0 HD3 PRO A 36 0.986 -1.321 9.729 1.00 0.21 H new ATOM 569 N THR A 37 -2.469 -2.038 5.464 1.00 65.41 N ATOM 570 CA THR A 37 -3.012 -1.578 4.176 1.00 40.31 C ATOM 571 C THR A 37 -3.743 -0.239 4.321 1.00 20.11 C ATOM 572 O THR A 37 -3.722 0.591 3.413 1.00 21.31 O ATOM 573 CB THR A 37 -3.990 -2.606 3.556 1.00 4.35 C ATOM 574 OG1 THR A 37 -5.157 -2.737 4.381 1.00 4.23 O ATOM 575 CG2 THR A 37 -3.322 -3.966 3.393 1.00 11.34 C ATOM 0 H THR A 37 -2.923 -2.873 5.834 1.00 65.41 H new ATOM 0 HA THR A 37 -2.154 -1.459 3.515 1.00 40.31 H new ATOM 0 HB THR A 37 -4.281 -2.243 2.570 1.00 4.35 H new ATOM 0 HG1 THR A 37 -5.090 -3.556 4.915 1.00 4.23 H new ATOM 0 HG21 THR A 37 -4.031 -4.669 2.956 1.00 11.34 H new ATOM 0 HG22 THR A 37 -2.456 -3.870 2.739 1.00 11.34 H new ATOM 0 HG23 THR A 37 -3.001 -4.333 4.368 1.00 11.34 H new ATOM 583 N ASP A 38 -4.394 -0.036 5.467 1.00 71.52 N ATOM 584 CA ASP A 38 -5.062 1.236 5.765 1.00 2.12 C ATOM 585 C ASP A 38 -4.097 2.416 5.565 1.00 63.21 C ATOM 586 O ASP A 38 -4.435 3.417 4.928 1.00 12.31 O ATOM 587 CB ASP A 38 -5.586 1.232 7.204 1.00 54.11 C ATOM 588 CG ASP A 38 -6.464 0.030 7.491 1.00 52.21 C ATOM 589 OD1 ASP A 38 -5.917 -1.038 7.840 1.00 42.03 O ATOM 590 OD2 ASP A 38 -7.702 0.140 7.369 1.00 35.52 O ATOM 0 H ASP A 38 -4.474 -0.735 6.206 1.00 71.52 H new ATOM 0 HA ASP A 38 -5.901 1.351 5.078 1.00 2.12 H new ATOM 0 HB2 ASP A 38 -4.743 1.238 7.896 1.00 54.11 H new ATOM 0 HB3 ASP A 38 -6.153 2.145 7.385 1.00 54.11 H new ATOM 595 N LYS A 39 -2.886 2.273 6.098 1.00 4.13 N ATOM 596 CA LYS A 39 -1.851 3.305 5.969 1.00 63.42 C ATOM 597 C LYS A 39 -1.507 3.557 4.493 1.00 73.14 C ATOM 598 O LYS A 39 -1.313 4.696 4.074 1.00 72.22 O ATOM 599 CB LYS A 39 -0.597 2.883 6.744 1.00 31.41 C ATOM 600 CG LYS A 39 0.390 4.019 6.973 1.00 1.34 C ATOM 601 CD LYS A 39 1.595 3.568 7.791 1.00 21.32 C ATOM 602 CE LYS A 39 2.440 4.752 8.243 1.00 4.15 C ATOM 603 NZ LYS A 39 1.692 5.654 9.163 1.00 64.02 N ATOM 0 H LYS A 39 -2.593 1.451 6.626 1.00 4.13 H new ATOM 0 HA LYS A 39 -2.235 4.235 6.388 1.00 63.42 H new ATOM 0 HB2 LYS A 39 -0.897 2.474 7.709 1.00 31.41 H new ATOM 0 HB3 LYS A 39 -0.096 2.082 6.200 1.00 31.41 H new ATOM 0 HG2 LYS A 39 0.728 4.406 6.012 1.00 1.34 H new ATOM 0 HG3 LYS A 39 -0.112 4.838 7.488 1.00 1.34 H new ATOM 0 HD2 LYS A 39 1.255 3.009 8.663 1.00 21.32 H new ATOM 0 HD3 LYS A 39 2.206 2.890 7.196 1.00 21.32 H new ATOM 0 HE2 LYS A 39 3.337 4.387 8.743 1.00 4.15 H new ATOM 0 HE3 LYS A 39 2.769 5.316 7.370 1.00 4.15 H new ATOM 0 HZ1 LYS A 39 2.364 6.245 9.692 1.00 64.02 H new ATOM 0 HZ2 LYS A 39 1.056 6.263 8.610 1.00 64.02 H new ATOM 0 HZ3 LYS A 39 1.133 5.084 9.829 1.00 64.02 H new ATOM 617 N ILE A 40 -1.454 2.475 3.717 1.00 34.40 N ATOM 618 CA ILE A 40 -1.182 2.542 2.272 1.00 70.14 C ATOM 619 C ILE A 40 -2.226 3.406 1.534 1.00 44.13 C ATOM 620 O ILE A 40 -1.940 4.002 0.492 1.00 2.13 O ATOM 621 CB ILE A 40 -1.178 1.115 1.658 1.00 0.50 C ATOM 622 CG1 ILE A 40 -0.135 0.228 2.359 1.00 64.13 C ATOM 623 CG2 ILE A 40 -0.917 1.162 0.155 1.00 45.24 C ATOM 624 CD1 ILE A 40 -0.133 -1.211 1.883 1.00 4.54 C ATOM 0 H ILE A 40 -1.597 1.527 4.066 1.00 34.40 H new ATOM 0 HA ILE A 40 -0.202 3.003 2.149 1.00 70.14 H new ATOM 0 HB ILE A 40 -2.165 0.680 1.814 1.00 0.50 H new ATOM 0 HG12 ILE A 40 0.856 0.654 2.200 1.00 64.13 H new ATOM 0 HG13 ILE A 40 -0.321 0.245 3.433 1.00 64.13 H new ATOM 0 HG21 ILE A 40 -0.920 0.149 -0.247 1.00 45.24 H new ATOM 0 HG22 ILE A 40 -1.697 1.748 -0.332 1.00 45.24 H new ATOM 0 HG23 ILE A 40 0.053 1.623 -0.032 1.00 45.24 H new ATOM 0 HD11 ILE A 40 0.629 -1.772 2.424 1.00 4.54 H new ATOM 0 HD12 ILE A 40 -1.111 -1.656 2.067 1.00 4.54 H new ATOM 0 HD13 ILE A 40 0.084 -1.241 0.815 1.00 4.54 H new ATOM 636 N VAL A 41 -3.440 3.460 2.083 1.00 54.10 N ATOM 637 CA VAL A 41 -4.539 4.220 1.478 1.00 43.35 C ATOM 638 C VAL A 41 -4.573 5.681 1.968 1.00 52.12 C ATOM 639 O VAL A 41 -4.823 6.602 1.186 1.00 70.23 O ATOM 640 CB VAL A 41 -5.902 3.552 1.783 1.00 64.23 C ATOM 641 CG1 VAL A 41 -7.050 4.344 1.163 1.00 62.44 C ATOM 642 CG2 VAL A 41 -5.912 2.106 1.287 1.00 22.11 C ATOM 0 H VAL A 41 -3.690 2.984 2.950 1.00 54.10 H new ATOM 0 HA VAL A 41 -4.361 4.222 0.403 1.00 43.35 H new ATOM 0 HB VAL A 41 -6.044 3.547 2.864 1.00 64.23 H new ATOM 0 HG11 VAL A 41 -7.996 3.853 1.392 1.00 62.44 H new ATOM 0 HG12 VAL A 41 -7.057 5.355 1.571 1.00 62.44 H new ATOM 0 HG13 VAL A 41 -6.918 4.390 0.082 1.00 62.44 H new ATOM 0 HG21 VAL A 41 -6.877 1.652 1.510 1.00 22.11 H new ATOM 0 HG22 VAL A 41 -5.743 2.089 0.210 1.00 22.11 H new ATOM 0 HG23 VAL A 41 -5.123 1.544 1.787 1.00 22.11 H new ATOM 652 N ASN A 42 -4.340 5.888 3.267 1.00 12.13 N ATOM 653 CA ASN A 42 -4.356 7.242 3.846 1.00 54.32 C ATOM 654 C ASN A 42 -3.164 8.089 3.367 1.00 0.20 C ATOM 655 O ASN A 42 -3.262 9.316 3.270 1.00 73.51 O ATOM 656 CB ASN A 42 -4.375 7.179 5.383 1.00 32.04 C ATOM 657 CG ASN A 42 -5.704 6.682 5.929 1.00 43.23 C ATOM 658 OD1 ASN A 42 -6.636 7.454 6.130 1.00 14.34 O ATOM 659 ND2 ASN A 42 -5.803 5.397 6.196 1.00 25.50 N ATOM 0 H ASN A 42 -4.139 5.145 3.936 1.00 12.13 H new ATOM 0 HA ASN A 42 -5.269 7.726 3.498 1.00 54.32 H new ATOM 0 HB2 ASN A 42 -3.576 6.522 5.726 1.00 32.04 H new ATOM 0 HB3 ASN A 42 -4.168 8.170 5.787 1.00 32.04 H new ATOM 0 HD21 ASN A 42 -6.670 5.021 6.580 1.00 25.50 H new ATOM 0 HD22 ASN A 42 -5.013 4.777 6.019 1.00 25.50 H new ATOM 666 N LEU A 43 -2.043 7.437 3.075 1.00 31.52 N ATOM 667 CA LEU A 43 -0.851 8.138 2.587 1.00 42.24 C ATOM 668 C LEU A 43 -0.924 8.389 1.069 1.00 51.24 C ATOM 669 O LEU A 43 -1.148 7.464 0.284 1.00 54.42 O ATOM 670 CB LEU A 43 0.422 7.341 2.919 1.00 22.43 C ATOM 671 CG LEU A 43 0.726 7.158 4.417 1.00 70.35 C ATOM 672 CD1 LEU A 43 2.038 6.400 4.610 1.00 71.31 C ATOM 673 CD2 LEU A 43 0.770 8.508 5.129 1.00 11.20 C ATOM 0 H LEU A 43 -1.931 6.427 3.166 1.00 31.52 H new ATOM 0 HA LEU A 43 -0.813 9.103 3.093 1.00 42.24 H new ATOM 0 HB2 LEU A 43 0.341 6.355 2.461 1.00 22.43 H new ATOM 0 HB3 LEU A 43 1.272 7.840 2.453 1.00 22.43 H new ATOM 0 HG LEU A 43 -0.077 6.568 4.860 1.00 70.35 H new ATOM 0 HD11 LEU A 43 2.236 6.280 5.675 1.00 71.31 H new ATOM 0 HD12 LEU A 43 1.963 5.418 4.142 1.00 71.31 H new ATOM 0 HD13 LEU A 43 2.853 6.960 4.150 1.00 71.31 H new ATOM 0 HD21 LEU A 43 0.986 8.355 6.186 1.00 11.20 H new ATOM 0 HD22 LEU A 43 1.549 9.128 4.685 1.00 11.20 H new ATOM 0 HD23 LEU A 43 -0.194 9.006 5.024 1.00 11.20 H new ATOM 685 N PRO A 44 -0.738 9.651 0.628 1.00 23.35 N ATOM 686 CA PRO A 44 -0.705 9.986 -0.804 1.00 13.33 C ATOM 687 C PRO A 44 0.535 9.404 -1.504 1.00 70.41 C ATOM 688 O PRO A 44 1.498 9.010 -0.849 1.00 72.05 O ATOM 689 CB PRO A 44 -0.668 11.521 -0.809 1.00 65.11 C ATOM 690 CG PRO A 44 -0.067 11.887 0.505 1.00 41.21 C ATOM 691 CD PRO A 44 -0.546 10.842 1.481 1.00 24.43 C ATOM 0 HA PRO A 44 -1.555 9.572 -1.346 1.00 13.33 H new ATOM 0 HB2 PRO A 44 -0.070 11.900 -1.638 1.00 65.11 H new ATOM 0 HB3 PRO A 44 -1.668 11.941 -0.918 1.00 65.11 H new ATOM 0 HG2 PRO A 44 1.021 11.899 0.448 1.00 41.21 H new ATOM 0 HG3 PRO A 44 -0.381 12.884 0.814 1.00 41.21 H new ATOM 0 HD2 PRO A 44 0.185 10.660 2.268 1.00 24.43 H new ATOM 0 HD3 PRO A 44 -1.473 11.142 1.970 1.00 24.43 H new ATOM 699 N VAL A 45 0.510 9.375 -2.838 1.00 54.33 N ATOM 700 CA VAL A 45 1.605 8.789 -3.633 1.00 21.54 C ATOM 701 C VAL A 45 2.997 9.290 -3.185 1.00 14.24 C ATOM 702 O VAL A 45 3.976 8.544 -3.226 1.00 1.31 O ATOM 703 CB VAL A 45 1.403 9.079 -5.144 1.00 64.22 C ATOM 704 CG1 VAL A 45 1.348 10.582 -5.412 1.00 72.43 C ATOM 705 CG2 VAL A 45 2.494 8.413 -5.982 1.00 32.33 C ATOM 0 H VAL A 45 -0.256 9.750 -3.397 1.00 54.33 H new ATOM 0 HA VAL A 45 1.572 7.713 -3.462 1.00 21.54 H new ATOM 0 HB VAL A 45 0.445 8.651 -5.440 1.00 64.22 H new ATOM 0 HG11 VAL A 45 1.206 10.756 -6.479 1.00 72.43 H new ATOM 0 HG12 VAL A 45 0.517 11.020 -4.859 1.00 72.43 H new ATOM 0 HG13 VAL A 45 2.282 11.043 -5.090 1.00 72.43 H new ATOM 0 HG21 VAL A 45 2.328 8.633 -7.037 1.00 32.33 H new ATOM 0 HG22 VAL A 45 3.469 8.796 -5.681 1.00 32.33 H new ATOM 0 HG23 VAL A 45 2.464 7.334 -5.827 1.00 32.33 H new ATOM 715 N ASP A 46 3.063 10.545 -2.735 1.00 3.15 N ATOM 716 CA ASP A 46 4.312 11.137 -2.244 1.00 53.41 C ATOM 717 C ASP A 46 4.870 10.346 -1.042 1.00 21.24 C ATOM 718 O ASP A 46 5.958 9.770 -1.114 1.00 71.33 O ATOM 719 CB ASP A 46 4.062 12.599 -1.848 1.00 21.24 C ATOM 720 CG ASP A 46 5.347 13.367 -1.582 1.00 42.21 C ATOM 721 OD1 ASP A 46 5.859 13.315 -0.445 1.00 64.50 O ATOM 722 OD2 ASP A 46 5.846 14.036 -2.510 1.00 53.04 O ATOM 0 H ASP A 46 2.262 11.175 -2.700 1.00 3.15 H new ATOM 0 HA ASP A 46 5.054 11.096 -3.042 1.00 53.41 H new ATOM 0 HB2 ASP A 46 3.506 13.096 -2.643 1.00 21.24 H new ATOM 0 HB3 ASP A 46 3.437 12.627 -0.956 1.00 21.24 H new ATOM 727 N ASP A 47 4.109 10.308 0.055 1.00 13.15 N ATOM 728 CA ASP A 47 4.517 9.569 1.257 1.00 52.02 C ATOM 729 C ASP A 47 4.563 8.051 1.000 1.00 4.42 C ATOM 730 O ASP A 47 5.357 7.328 1.603 1.00 22.11 O ATOM 731 CB ASP A 47 3.563 9.876 2.419 1.00 30.30 C ATOM 732 CG ASP A 47 3.546 11.350 2.787 1.00 62.33 C ATOM 733 OD1 ASP A 47 4.620 11.907 3.086 1.00 73.22 O ATOM 734 OD2 ASP A 47 2.456 11.960 2.795 1.00 53.44 O ATOM 0 H ASP A 47 3.208 10.779 0.138 1.00 13.15 H new ATOM 0 HA ASP A 47 5.523 9.896 1.521 1.00 52.02 H new ATOM 0 HB2 ASP A 47 2.555 9.561 2.150 1.00 30.30 H new ATOM 0 HB3 ASP A 47 3.858 9.291 3.290 1.00 30.30 H new ATOM 739 N PHE A 48 3.710 7.582 0.092 1.00 23.12 N ATOM 740 CA PHE A 48 3.652 6.164 -0.282 1.00 73.43 C ATOM 741 C PHE A 48 4.992 5.664 -0.848 1.00 41.34 C ATOM 742 O PHE A 48 5.559 4.685 -0.357 1.00 23.41 O ATOM 743 CB PHE A 48 2.531 5.947 -1.308 1.00 21.05 C ATOM 744 CG PHE A 48 2.476 4.544 -1.855 1.00 41.25 C ATOM 745 CD1 PHE A 48 1.990 3.503 -1.080 1.00 34.15 C ATOM 746 CD2 PHE A 48 2.921 4.264 -3.140 1.00 11.11 C ATOM 747 CE1 PHE A 48 1.947 2.218 -1.575 1.00 64.53 C ATOM 748 CE2 PHE A 48 2.880 2.977 -3.637 1.00 3.21 C ATOM 749 CZ PHE A 48 2.392 1.954 -2.852 1.00 75.13 C ATOM 0 H PHE A 48 3.040 8.169 -0.406 1.00 23.12 H new ATOM 0 HA PHE A 48 3.444 5.588 0.619 1.00 73.43 H new ATOM 0 HB2 PHE A 48 1.574 6.184 -0.843 1.00 21.05 H new ATOM 0 HB3 PHE A 48 2.666 6.645 -2.134 1.00 21.05 H new ATOM 0 HD1 PHE A 48 1.641 3.701 -0.077 1.00 34.15 H new ATOM 0 HD2 PHE A 48 3.304 5.063 -3.758 1.00 11.11 H new ATOM 0 HE1 PHE A 48 1.564 1.416 -0.961 1.00 64.53 H new ATOM 0 HE2 PHE A 48 3.229 2.772 -4.638 1.00 3.21 H new ATOM 0 HZ PHE A 48 2.359 0.946 -3.238 1.00 75.13 H new ATOM 759 N ASN A 49 5.500 6.340 -1.881 1.00 74.01 N ATOM 760 CA ASN A 49 6.777 5.954 -2.499 1.00 30.23 C ATOM 761 C ASN A 49 7.935 6.002 -1.485 1.00 71.52 C ATOM 762 O ASN A 49 8.915 5.259 -1.605 1.00 1.03 O ATOM 763 CB ASN A 49 7.079 6.849 -3.705 1.00 71.21 C ATOM 764 CG ASN A 49 6.078 6.657 -4.832 1.00 14.45 C ATOM 765 OD1 ASN A 49 5.523 5.575 -5.012 1.00 15.15 O ATOM 766 ND2 ASN A 49 5.836 7.698 -5.599 1.00 5.12 N ATOM 0 H ASN A 49 5.053 7.152 -2.307 1.00 74.01 H new ATOM 0 HA ASN A 49 6.682 4.923 -2.841 1.00 30.23 H new ATOM 0 HB2 ASN A 49 7.073 7.893 -3.391 1.00 71.21 H new ATOM 0 HB3 ASN A 49 8.082 6.633 -4.073 1.00 71.21 H new ATOM 0 HD21 ASN A 49 5.171 7.621 -6.369 1.00 5.12 H new ATOM 0 HD22 ASN A 49 6.313 8.582 -5.424 1.00 5.12 H new ATOM 773 N GLU A 50 7.817 6.882 -0.492 1.00 4.24 N ATOM 774 CA GLU A 50 8.761 6.923 0.629 1.00 15.42 C ATOM 775 C GLU A 50 8.630 5.673 1.513 1.00 13.54 C ATOM 776 O GLU A 50 9.628 5.040 1.866 1.00 51.22 O ATOM 777 CB GLU A 50 8.527 8.182 1.476 1.00 72.35 C ATOM 778 CG GLU A 50 9.041 9.464 0.835 1.00 4.40 C ATOM 779 CD GLU A 50 10.551 9.453 0.658 1.00 21.31 C ATOM 780 OE1 GLU A 50 11.271 9.492 1.682 1.00 21.32 O ATOM 781 OE2 GLU A 50 11.022 9.379 -0.497 1.00 62.53 O ATOM 0 H GLU A 50 7.075 7.580 -0.439 1.00 4.24 H new ATOM 0 HA GLU A 50 9.769 6.948 0.215 1.00 15.42 H new ATOM 0 HB2 GLU A 50 7.459 8.286 1.666 1.00 72.35 H new ATOM 0 HB3 GLU A 50 9.012 8.052 2.443 1.00 72.35 H new ATOM 0 HG2 GLU A 50 8.564 9.599 -0.136 1.00 4.40 H new ATOM 0 HG3 GLU A 50 8.755 10.316 1.452 1.00 4.40 H new ATOM 788 N LEU A 51 7.392 5.322 1.861 1.00 74.43 N ATOM 789 CA LEU A 51 7.111 4.153 2.705 1.00 52.32 C ATOM 790 C LEU A 51 7.752 2.871 2.133 1.00 23.42 C ATOM 791 O LEU A 51 8.301 2.052 2.876 1.00 2.54 O ATOM 792 CB LEU A 51 5.590 3.969 2.841 1.00 64.14 C ATOM 793 CG LEU A 51 5.133 2.828 3.769 1.00 61.40 C ATOM 794 CD1 LEU A 51 5.651 3.047 5.187 1.00 24.34 C ATOM 795 CD2 LEU A 51 3.608 2.710 3.764 1.00 63.42 C ATOM 0 H LEU A 51 6.559 5.834 1.570 1.00 74.43 H new ATOM 0 HA LEU A 51 7.549 4.330 3.687 1.00 52.32 H new ATOM 0 HB2 LEU A 51 5.161 4.902 3.206 1.00 64.14 H new ATOM 0 HB3 LEU A 51 5.174 3.794 1.849 1.00 64.14 H new ATOM 0 HG LEU A 51 5.551 1.893 3.394 1.00 61.40 H new ATOM 0 HD11 LEU A 51 5.317 2.230 5.827 1.00 24.34 H new ATOM 0 HD12 LEU A 51 6.741 3.077 5.176 1.00 24.34 H new ATOM 0 HD13 LEU A 51 5.266 3.991 5.573 1.00 24.34 H new ATOM 0 HD21 LEU A 51 3.304 1.899 4.425 1.00 63.42 H new ATOM 0 HD22 LEU A 51 3.170 3.645 4.112 1.00 63.42 H new ATOM 0 HD23 LEU A 51 3.263 2.502 2.751 1.00 63.42 H new ATOM 807 N LEU A 52 7.700 2.722 0.808 1.00 52.30 N ATOM 808 CA LEU A 52 8.276 1.552 0.124 1.00 71.35 C ATOM 809 C LEU A 52 9.781 1.383 0.412 1.00 20.45 C ATOM 810 O LEU A 52 10.300 0.264 0.417 1.00 42.23 O ATOM 811 CB LEU A 52 8.058 1.666 -1.394 1.00 41.13 C ATOM 812 CG LEU A 52 6.589 1.726 -1.850 1.00 3.24 C ATOM 813 CD1 LEU A 52 6.501 1.915 -3.365 1.00 13.21 C ATOM 814 CD2 LEU A 52 5.838 0.467 -1.419 1.00 0.33 C ATOM 0 H LEU A 52 7.264 3.398 0.181 1.00 52.30 H new ATOM 0 HA LEU A 52 7.762 0.673 0.513 1.00 71.35 H new ATOM 0 HB2 LEU A 52 8.568 2.561 -1.750 1.00 41.13 H new ATOM 0 HB3 LEU A 52 8.536 0.814 -1.877 1.00 41.13 H new ATOM 0 HG LEU A 52 6.118 2.585 -1.371 1.00 3.24 H new ATOM 0 HD11 LEU A 52 5.454 1.955 -3.667 1.00 13.21 H new ATOM 0 HD12 LEU A 52 6.995 2.846 -3.645 1.00 13.21 H new ATOM 0 HD13 LEU A 52 6.991 1.080 -3.865 1.00 13.21 H new ATOM 0 HD21 LEU A 52 4.802 0.530 -1.751 1.00 0.33 H new ATOM 0 HD22 LEU A 52 6.310 -0.409 -1.865 1.00 0.33 H new ATOM 0 HD23 LEU A 52 5.866 0.380 -0.333 1.00 0.33 H new ATOM 826 N ALA A 53 10.476 2.495 0.640 1.00 51.44 N ATOM 827 CA ALA A 53 11.925 2.469 0.894 1.00 35.52 C ATOM 828 C ALA A 53 12.249 2.298 2.387 1.00 43.34 C ATOM 829 O ALA A 53 13.408 2.117 2.768 1.00 74.33 O ATOM 830 CB ALA A 53 12.567 3.746 0.361 1.00 62.22 C ATOM 0 H ALA A 53 10.064 3.428 0.655 1.00 51.44 H new ATOM 0 HA ALA A 53 12.336 1.605 0.372 1.00 35.52 H new ATOM 0 HB1 ALA A 53 13.640 3.721 0.552 1.00 62.22 H new ATOM 0 HB2 ALA A 53 12.391 3.821 -0.712 1.00 62.22 H new ATOM 0 HB3 ALA A 53 12.129 4.610 0.862 1.00 62.22 H new ATOM 836 N ARG A 54 11.220 2.346 3.229 1.00 2.32 N ATOM 837 CA ARG A 54 11.402 2.325 4.686 1.00 42.31 C ATOM 838 C ARG A 54 11.077 0.951 5.298 1.00 1.14 C ATOM 839 O ARG A 54 11.121 0.780 6.516 1.00 42.00 O ATOM 840 CB ARG A 54 10.542 3.431 5.311 1.00 1.50 C ATOM 841 CG ARG A 54 10.900 4.811 4.766 1.00 3.41 C ATOM 842 CD ARG A 54 10.004 5.916 5.303 1.00 42.52 C ATOM 843 NE ARG A 54 10.252 7.179 4.608 1.00 24.01 N ATOM 844 CZ ARG A 54 9.844 8.349 5.017 1.00 63.54 C ATOM 845 NH1 ARG A 54 9.205 8.478 6.137 1.00 13.52 N ATOM 846 NH2 ARG A 54 10.090 9.399 4.303 1.00 54.12 N ATOM 0 H ARG A 54 10.246 2.400 2.930 1.00 2.32 H new ATOM 0 HA ARG A 54 12.453 2.510 4.906 1.00 42.31 H new ATOM 0 HB2 ARG A 54 9.490 3.226 5.115 1.00 1.50 H new ATOM 0 HB3 ARG A 54 10.672 3.424 6.393 1.00 1.50 H new ATOM 0 HG2 ARG A 54 11.936 5.037 5.018 1.00 3.41 H new ATOM 0 HG3 ARG A 54 10.833 4.794 3.678 1.00 3.41 H new ATOM 0 HD2 ARG A 54 8.959 5.631 5.184 1.00 42.52 H new ATOM 0 HD3 ARG A 54 10.180 6.044 6.371 1.00 42.52 H new ATOM 0 HE ARG A 54 10.784 7.142 3.738 1.00 24.01 H new ATOM 0 HH11 ARG A 54 9.014 7.658 6.713 1.00 13.52 H new ATOM 0 HH12 ARG A 54 8.893 9.400 6.443 1.00 13.52 H new ATOM 0 HH21 ARG A 54 10.601 9.310 3.425 1.00 54.12 H new ATOM 0 HH22 ARG A 54 9.773 10.316 4.618 1.00 54.12 H new ATOM 860 N TYR A 55 10.769 -0.025 4.446 1.00 63.41 N ATOM 861 CA TYR A 55 10.542 -1.408 4.891 1.00 72.42 C ATOM 862 C TYR A 55 11.123 -2.421 3.883 1.00 3.33 C ATOM 863 O TYR A 55 10.969 -2.256 2.671 1.00 11.11 O ATOM 864 CB TYR A 55 9.042 -1.675 5.104 1.00 24.23 C ATOM 865 CG TYR A 55 8.483 -1.066 6.381 1.00 54.25 C ATOM 866 CD1 TYR A 55 8.615 -1.725 7.600 1.00 41.53 C ATOM 867 CD2 TYR A 55 7.830 0.166 6.371 1.00 12.13 C ATOM 868 CE1 TYR A 55 8.108 -1.184 8.765 1.00 21.20 C ATOM 869 CE2 TYR A 55 7.323 0.713 7.534 1.00 13.12 C ATOM 870 CZ TYR A 55 7.467 0.037 8.728 1.00 2.11 C ATOM 871 OH TYR A 55 6.961 0.578 9.890 1.00 31.41 O ATOM 0 H TYR A 55 10.670 0.112 3.440 1.00 63.41 H new ATOM 0 HA TYR A 55 11.059 -1.536 5.842 1.00 72.42 H new ATOM 0 HB2 TYR A 55 8.488 -1.280 4.252 1.00 24.23 H new ATOM 0 HB3 TYR A 55 8.874 -2.752 5.123 1.00 24.23 H new ATOM 0 HD1 TYR A 55 9.123 -2.677 7.635 1.00 41.53 H new ATOM 0 HD2 TYR A 55 7.719 0.701 5.439 1.00 12.13 H new ATOM 0 HE1 TYR A 55 8.213 -1.714 9.700 1.00 21.20 H new ATOM 0 HE2 TYR A 55 6.816 1.666 7.509 1.00 13.12 H new ATOM 0 HH TYR A 55 6.541 1.441 9.693 1.00 31.41 H new ATOM 881 N PRO A 56 11.809 -3.479 4.371 1.00 53.12 N ATOM 882 CA PRO A 56 12.413 -4.515 3.505 1.00 63.21 C ATOM 883 C PRO A 56 11.365 -5.359 2.754 1.00 50.02 C ATOM 884 O PRO A 56 10.719 -6.233 3.336 1.00 23.01 O ATOM 885 CB PRO A 56 13.214 -5.396 4.485 1.00 64.22 C ATOM 886 CG PRO A 56 13.306 -4.599 5.748 1.00 1.04 C ATOM 887 CD PRO A 56 12.064 -3.753 5.794 1.00 15.42 C ATOM 0 HA PRO A 56 13.022 -4.067 2.720 1.00 63.21 H new ATOM 0 HB2 PRO A 56 12.713 -6.349 4.657 1.00 64.22 H new ATOM 0 HB3 PRO A 56 14.204 -5.623 4.090 1.00 64.22 H new ATOM 0 HG2 PRO A 56 13.366 -5.252 6.618 1.00 1.04 H new ATOM 0 HG3 PRO A 56 14.202 -3.978 5.753 1.00 1.04 H new ATOM 0 HD2 PRO A 56 11.232 -4.280 6.261 1.00 15.42 H new ATOM 0 HD3 PRO A 56 12.219 -2.836 6.362 1.00 15.42 H new ATOM 895 N LEU A 57 11.194 -5.076 1.460 1.00 2.03 N ATOM 896 CA LEU A 57 10.235 -5.806 0.618 1.00 1.32 C ATOM 897 C LEU A 57 10.865 -6.221 -0.719 1.00 33.42 C ATOM 898 O LEU A 57 11.704 -5.509 -1.275 1.00 14.44 O ATOM 899 CB LEU A 57 8.992 -4.941 0.344 1.00 73.45 C ATOM 900 CG LEU A 57 8.142 -4.576 1.569 1.00 52.45 C ATOM 901 CD1 LEU A 57 7.001 -3.644 1.168 1.00 52.12 C ATOM 902 CD2 LEU A 57 7.596 -5.834 2.246 1.00 50.54 C ATOM 0 H LEU A 57 11.708 -4.345 0.969 1.00 2.03 H new ATOM 0 HA LEU A 57 9.944 -6.705 1.161 1.00 1.32 H new ATOM 0 HB2 LEU A 57 9.315 -4.018 -0.137 1.00 73.45 H new ATOM 0 HB3 LEU A 57 8.358 -5.467 -0.370 1.00 73.45 H new ATOM 0 HG LEU A 57 8.779 -4.055 2.284 1.00 52.45 H new ATOM 0 HD11 LEU A 57 6.408 -3.395 2.048 1.00 52.12 H new ATOM 0 HD12 LEU A 57 7.411 -2.731 0.737 1.00 52.12 H new ATOM 0 HD13 LEU A 57 6.368 -4.140 0.432 1.00 52.12 H new ATOM 0 HD21 LEU A 57 6.997 -5.551 3.111 1.00 50.54 H new ATOM 0 HD22 LEU A 57 6.976 -6.387 1.540 1.00 50.54 H new ATOM 0 HD23 LEU A 57 8.426 -6.462 2.569 1.00 50.54 H new ATOM 914 N THR A 58 10.461 -7.378 -1.231 1.00 11.24 N ATOM 915 CA THR A 58 10.876 -7.826 -2.566 1.00 31.32 C ATOM 916 C THR A 58 10.016 -7.164 -3.649 1.00 40.13 C ATOM 917 O THR A 58 8.891 -6.738 -3.384 1.00 53.44 O ATOM 918 CB THR A 58 10.758 -9.362 -2.712 1.00 0.21 C ATOM 919 OG1 THR A 58 9.384 -9.765 -2.611 1.00 35.32 O ATOM 920 CG2 THR A 58 11.573 -10.080 -1.641 1.00 61.14 C ATOM 0 H THR A 58 9.844 -8.029 -0.744 1.00 11.24 H new ATOM 0 HA THR A 58 11.919 -7.536 -2.689 1.00 31.32 H new ATOM 0 HB THR A 58 11.150 -9.635 -3.692 1.00 0.21 H new ATOM 0 HG1 THR A 58 9.321 -10.738 -2.706 1.00 35.32 H new ATOM 0 HG21 THR A 58 11.471 -11.158 -1.768 1.00 61.14 H new ATOM 0 HG22 THR A 58 12.623 -9.801 -1.734 1.00 61.14 H new ATOM 0 HG23 THR A 58 11.208 -9.795 -0.654 1.00 61.14 H new ATOM 928 N GLU A 59 10.533 -7.096 -4.874 1.00 63.04 N ATOM 929 CA GLU A 59 9.824 -6.443 -5.985 1.00 14.13 C ATOM 930 C GLU A 59 8.380 -6.961 -6.138 1.00 64.41 C ATOM 931 O GLU A 59 7.465 -6.197 -6.459 1.00 64.02 O ATOM 932 CB GLU A 59 10.598 -6.644 -7.291 1.00 3.44 C ATOM 933 CG GLU A 59 12.002 -6.053 -7.270 1.00 72.42 C ATOM 934 CD GLU A 59 12.733 -6.238 -8.589 1.00 65.54 C ATOM 935 OE1 GLU A 59 12.513 -5.426 -9.513 1.00 43.52 O ATOM 936 OE2 GLU A 59 13.528 -7.192 -8.710 1.00 4.23 O ATOM 0 H GLU A 59 11.441 -7.484 -5.128 1.00 63.04 H new ATOM 0 HA GLU A 59 9.765 -5.379 -5.755 1.00 14.13 H new ATOM 0 HB2 GLU A 59 10.666 -7.711 -7.502 1.00 3.44 H new ATOM 0 HB3 GLU A 59 10.036 -6.193 -8.109 1.00 3.44 H new ATOM 0 HG2 GLU A 59 11.941 -4.990 -7.038 1.00 72.42 H new ATOM 0 HG3 GLU A 59 12.577 -6.521 -6.471 1.00 72.42 H new ATOM 943 N SER A 60 8.186 -8.259 -5.907 1.00 74.03 N ATOM 944 CA SER A 60 6.847 -8.869 -5.953 1.00 22.32 C ATOM 945 C SER A 60 5.935 -8.278 -4.872 1.00 70.05 C ATOM 946 O SER A 60 4.737 -8.084 -5.087 1.00 54.24 O ATOM 947 CB SER A 60 6.944 -10.390 -5.767 1.00 62.50 C ATOM 948 OG SER A 60 7.786 -10.976 -6.750 1.00 44.23 O ATOM 0 H SER A 60 8.936 -8.913 -5.685 1.00 74.03 H new ATOM 0 HA SER A 60 6.416 -8.652 -6.930 1.00 22.32 H new ATOM 0 HB2 SER A 60 7.331 -10.613 -4.773 1.00 62.50 H new ATOM 0 HB3 SER A 60 5.949 -10.830 -5.828 1.00 62.50 H new ATOM 0 HG SER A 60 7.831 -11.944 -6.607 1.00 44.23 H new ATOM 954 N GLN A 61 6.518 -7.984 -3.708 1.00 22.11 N ATOM 955 CA GLN A 61 5.771 -7.390 -2.595 1.00 53.41 C ATOM 956 C GLN A 61 5.427 -5.914 -2.872 1.00 22.05 C ATOM 957 O GLN A 61 4.303 -5.483 -2.618 1.00 4.44 O ATOM 958 CB GLN A 61 6.562 -7.533 -1.283 1.00 14.24 C ATOM 959 CG GLN A 61 6.843 -8.986 -0.906 1.00 13.45 C ATOM 960 CD GLN A 61 7.662 -9.130 0.364 1.00 64.20 C ATOM 961 OE1 GLN A 61 8.887 -9.137 0.331 1.00 75.13 O ATOM 962 NE2 GLN A 61 6.999 -9.269 1.491 1.00 71.04 N ATOM 0 H GLN A 61 7.505 -8.147 -3.511 1.00 22.11 H new ATOM 0 HA GLN A 61 4.830 -7.931 -2.494 1.00 53.41 H new ATOM 0 HB2 GLN A 61 7.508 -6.999 -1.376 1.00 14.24 H new ATOM 0 HB3 GLN A 61 6.005 -7.056 -0.476 1.00 14.24 H new ATOM 0 HG2 GLN A 61 5.896 -9.511 -0.781 1.00 13.45 H new ATOM 0 HG3 GLN A 61 7.370 -9.472 -1.727 1.00 13.45 H new ATOM 0 HE21 GLN A 61 5.979 -9.259 1.487 1.00 71.04 H new ATOM 0 HE22 GLN A 61 7.505 -9.387 2.369 1.00 71.04 H new ATOM 971 N LEU A 62 6.384 -5.142 -3.403 1.00 34.21 N ATOM 972 CA LEU A 62 6.107 -3.743 -3.782 1.00 53.21 C ATOM 973 C LEU A 62 4.996 -3.657 -4.841 1.00 50.24 C ATOM 974 O LEU A 62 4.086 -2.834 -4.732 1.00 5.41 O ATOM 975 CB LEU A 62 7.363 -3.020 -4.303 1.00 11.45 C ATOM 976 CG LEU A 62 8.413 -2.639 -3.237 1.00 24.20 C ATOM 977 CD1 LEU A 62 9.304 -3.821 -2.885 1.00 62.42 C ATOM 978 CD2 LEU A 62 9.251 -1.453 -3.707 1.00 61.12 C ATOM 0 H LEU A 62 7.340 -5.451 -3.579 1.00 34.21 H new ATOM 0 HA LEU A 62 5.775 -3.244 -2.872 1.00 53.21 H new ATOM 0 HB2 LEU A 62 7.843 -3.657 -5.046 1.00 11.45 H new ATOM 0 HB3 LEU A 62 7.049 -2.111 -4.817 1.00 11.45 H new ATOM 0 HG LEU A 62 7.877 -2.348 -2.333 1.00 24.20 H new ATOM 0 HD11 LEU A 62 10.031 -3.517 -2.132 1.00 62.42 H new ATOM 0 HD12 LEU A 62 8.693 -4.633 -2.492 1.00 62.42 H new ATOM 0 HD13 LEU A 62 9.828 -4.161 -3.779 1.00 62.42 H new ATOM 0 HD21 LEU A 62 9.985 -1.200 -2.942 1.00 61.12 H new ATOM 0 HD22 LEU A 62 9.766 -1.715 -4.631 1.00 61.12 H new ATOM 0 HD23 LEU A 62 8.601 -0.596 -3.884 1.00 61.12 H new ATOM 990 N ALA A 63 5.076 -4.510 -5.866 1.00 53.12 N ATOM 991 CA ALA A 63 4.047 -4.564 -6.914 1.00 4.31 C ATOM 992 C ALA A 63 2.647 -4.759 -6.309 1.00 33.51 C ATOM 993 O ALA A 63 1.659 -4.186 -6.782 1.00 52.45 O ATOM 994 CB ALA A 63 4.362 -5.685 -7.898 1.00 3.40 C ATOM 0 H ALA A 63 5.841 -5.173 -5.994 1.00 53.12 H new ATOM 0 HA ALA A 63 4.051 -3.612 -7.446 1.00 4.31 H new ATOM 0 HB1 ALA A 63 3.594 -5.717 -8.671 1.00 3.40 H new ATOM 0 HB2 ALA A 63 5.333 -5.503 -8.359 1.00 3.40 H new ATOM 0 HB3 ALA A 63 4.385 -6.638 -7.369 1.00 3.40 H new ATOM 1000 N LEU A 64 2.579 -5.568 -5.256 1.00 35.00 N ATOM 1001 CA LEU A 64 1.334 -5.789 -4.517 1.00 54.30 C ATOM 1002 C LEU A 64 0.893 -4.515 -3.773 1.00 23.14 C ATOM 1003 O LEU A 64 -0.235 -4.046 -3.934 1.00 51.11 O ATOM 1004 CB LEU A 64 1.521 -6.932 -3.516 1.00 21.33 C ATOM 1005 CG LEU A 64 0.285 -7.280 -2.673 1.00 61.14 C ATOM 1006 CD1 LEU A 64 -0.832 -7.843 -3.549 1.00 52.23 C ATOM 1007 CD2 LEU A 64 0.656 -8.256 -1.562 1.00 33.14 C ATOM 0 H LEU A 64 3.378 -6.087 -4.891 1.00 35.00 H new ATOM 0 HA LEU A 64 0.556 -6.052 -5.234 1.00 54.30 H new ATOM 0 HB2 LEU A 64 1.830 -7.823 -4.062 1.00 21.33 H new ATOM 0 HB3 LEU A 64 2.338 -6.672 -2.842 1.00 21.33 H new ATOM 0 HG LEU A 64 -0.086 -6.364 -2.212 1.00 61.14 H new ATOM 0 HD11 LEU A 64 -1.696 -8.081 -2.929 1.00 52.23 H new ATOM 0 HD12 LEU A 64 -1.116 -7.103 -4.297 1.00 52.23 H new ATOM 0 HD13 LEU A 64 -0.483 -8.747 -4.048 1.00 52.23 H new ATOM 0 HD21 LEU A 64 -0.231 -8.492 -0.974 1.00 33.14 H new ATOM 0 HD22 LEU A 64 1.055 -9.171 -2.000 1.00 33.14 H new ATOM 0 HD23 LEU A 64 1.409 -7.804 -0.917 1.00 33.14 H new ATOM 1019 N VAL A 65 1.797 -3.961 -2.966 1.00 74.14 N ATOM 1020 CA VAL A 65 1.521 -2.746 -2.186 1.00 31.44 C ATOM 1021 C VAL A 65 1.032 -1.590 -3.081 1.00 72.13 C ATOM 1022 O VAL A 65 0.121 -0.841 -2.713 1.00 2.54 O ATOM 1023 CB VAL A 65 2.786 -2.307 -1.404 1.00 13.44 C ATOM 1024 CG1 VAL A 65 2.534 -1.026 -0.619 1.00 73.33 C ATOM 1025 CG2 VAL A 65 3.259 -3.424 -0.472 1.00 72.12 C ATOM 0 H VAL A 65 2.736 -4.335 -2.832 1.00 74.14 H new ATOM 0 HA VAL A 65 0.724 -2.986 -1.482 1.00 31.44 H new ATOM 0 HB VAL A 65 3.573 -2.105 -2.130 1.00 13.44 H new ATOM 0 HG11 VAL A 65 3.440 -0.744 -0.082 1.00 73.33 H new ATOM 0 HG12 VAL A 65 2.257 -0.227 -1.306 1.00 73.33 H new ATOM 0 HG13 VAL A 65 1.725 -1.189 0.093 1.00 73.33 H new ATOM 0 HG21 VAL A 65 4.148 -3.096 0.067 1.00 72.12 H new ATOM 0 HG22 VAL A 65 2.469 -3.662 0.240 1.00 72.12 H new ATOM 0 HG23 VAL A 65 3.498 -4.311 -1.059 1.00 72.12 H new ATOM 1035 N ARG A 66 1.636 -1.456 -4.260 1.00 42.11 N ATOM 1036 CA ARG A 66 1.230 -0.434 -5.232 1.00 2.41 C ATOM 1037 C ARG A 66 -0.190 -0.698 -5.762 1.00 65.04 C ATOM 1038 O ARG A 66 -0.954 0.238 -6.017 1.00 31.32 O ATOM 1039 CB ARG A 66 2.240 -0.380 -6.388 1.00 13.23 C ATOM 1040 CG ARG A 66 3.649 0.003 -5.941 1.00 34.34 C ATOM 1041 CD ARG A 66 4.667 -0.130 -7.068 1.00 71.45 C ATOM 1042 NE ARG A 66 4.380 0.761 -8.191 1.00 50.51 N ATOM 1043 CZ ARG A 66 5.203 0.971 -9.184 1.00 22.54 C ATOM 1044 NH1 ARG A 66 6.364 0.397 -9.213 1.00 74.51 N ATOM 1045 NH2 ARG A 66 4.862 1.763 -10.144 1.00 71.21 N ATOM 0 H ARG A 66 2.411 -2.043 -4.569 1.00 42.11 H new ATOM 0 HA ARG A 66 1.217 0.532 -4.728 1.00 2.41 H new ATOM 0 HB2 ARG A 66 2.274 -1.353 -6.878 1.00 13.23 H new ATOM 0 HB3 ARG A 66 1.894 0.339 -7.131 1.00 13.23 H new ATOM 0 HG2 ARG A 66 3.646 1.030 -5.576 1.00 34.34 H new ATOM 0 HG3 ARG A 66 3.948 -0.631 -5.106 1.00 34.34 H new ATOM 0 HD2 ARG A 66 5.663 0.088 -6.681 1.00 71.45 H new ATOM 0 HD3 ARG A 66 4.681 -1.161 -7.421 1.00 71.45 H new ATOM 0 HE ARG A 66 3.484 1.248 -8.200 1.00 50.51 H new ATOM 0 HH11 ARG A 66 6.644 -0.226 -8.456 1.00 74.51 H new ATOM 0 HH12 ARG A 66 6.998 0.568 -9.993 1.00 74.51 H new ATOM 0 HH21 ARG A 66 3.952 2.223 -10.126 1.00 71.21 H new ATOM 0 HH22 ARG A 66 5.503 1.929 -10.920 1.00 71.21 H new ATOM 1059 N ASP A 67 -0.542 -1.974 -5.916 1.00 65.45 N ATOM 1060 CA ASP A 67 -1.895 -2.360 -6.327 1.00 52.31 C ATOM 1061 C ASP A 67 -2.913 -1.968 -5.244 1.00 35.30 C ATOM 1062 O ASP A 67 -3.935 -1.346 -5.532 1.00 14.04 O ATOM 1063 CB ASP A 67 -1.954 -3.869 -6.591 1.00 64.23 C ATOM 1064 CG ASP A 67 -3.275 -4.303 -7.206 1.00 1.33 C ATOM 1065 OD1 ASP A 67 -4.228 -4.610 -6.453 1.00 11.22 O ATOM 1066 OD2 ASP A 67 -3.371 -4.334 -8.450 1.00 73.53 O ATOM 0 H ASP A 67 0.090 -2.760 -5.763 1.00 65.45 H new ATOM 0 HA ASP A 67 -2.147 -1.833 -7.247 1.00 52.31 H new ATOM 0 HB2 ASP A 67 -1.138 -4.150 -7.257 1.00 64.23 H new ATOM 0 HB3 ASP A 67 -1.800 -4.404 -5.654 1.00 64.23 H new ATOM 1071 N ILE A 68 -2.604 -2.327 -3.995 1.00 1.40 N ATOM 1072 CA ILE A 68 -3.434 -1.964 -2.838 1.00 1.31 C ATOM 1073 C ILE A 68 -3.770 -0.462 -2.838 1.00 43.32 C ATOM 1074 O ILE A 68 -4.935 -0.071 -2.714 1.00 60.33 O ATOM 1075 CB ILE A 68 -2.710 -2.317 -1.509 1.00 24.03 C ATOM 1076 CG1 ILE A 68 -2.383 -3.821 -1.452 1.00 73.02 C ATOM 1077 CG2 ILE A 68 -3.549 -1.896 -0.301 1.00 73.42 C ATOM 1078 CD1 ILE A 68 -1.635 -4.247 -0.201 1.00 21.12 C ATOM 0 H ILE A 68 -1.777 -2.874 -3.756 1.00 1.40 H new ATOM 0 HA ILE A 68 -4.359 -2.535 -2.915 1.00 1.31 H new ATOM 0 HB ILE A 68 -1.772 -1.763 -1.476 1.00 24.03 H new ATOM 0 HG12 ILE A 68 -3.313 -4.386 -1.516 1.00 73.02 H new ATOM 0 HG13 ILE A 68 -1.788 -4.086 -2.326 1.00 73.02 H new ATOM 0 HG21 ILE A 68 -3.020 -2.154 0.617 1.00 73.42 H new ATOM 0 HG22 ILE A 68 -3.718 -0.820 -0.332 1.00 73.42 H new ATOM 0 HG23 ILE A 68 -4.508 -2.414 -0.325 1.00 73.42 H new ATOM 0 HD11 ILE A 68 -1.444 -5.319 -0.239 1.00 21.12 H new ATOM 0 HD12 ILE A 68 -0.688 -3.711 -0.143 1.00 21.12 H new ATOM 0 HD13 ILE A 68 -2.236 -4.017 0.679 1.00 21.12 H new ATOM 1090 N ARG A 69 -2.739 0.372 -2.980 1.00 63.40 N ATOM 1091 CA ARG A 69 -2.919 1.827 -3.043 1.00 34.40 C ATOM 1092 C ARG A 69 -3.847 2.225 -4.207 1.00 45.13 C ATOM 1093 O ARG A 69 -4.728 3.067 -4.049 1.00 55.15 O ATOM 1094 CB ARG A 69 -1.549 2.520 -3.176 1.00 51.50 C ATOM 1095 CG ARG A 69 -1.615 4.049 -3.279 1.00 75.43 C ATOM 1096 CD ARG A 69 -1.338 4.543 -4.701 1.00 0.13 C ATOM 1097 NE ARG A 69 -0.001 4.162 -5.172 1.00 65.43 N ATOM 1098 CZ ARG A 69 0.388 4.229 -6.422 1.00 25.21 C ATOM 1099 NH1 ARG A 69 -0.416 4.655 -7.341 1.00 20.10 N ATOM 1100 NH2 ARG A 69 1.591 3.883 -6.754 1.00 41.02 N ATOM 0 H ARG A 69 -1.769 0.066 -3.054 1.00 63.40 H new ATOM 0 HA ARG A 69 -3.393 2.155 -2.118 1.00 34.40 H new ATOM 0 HB2 ARG A 69 -0.936 2.253 -2.315 1.00 51.50 H new ATOM 0 HB3 ARG A 69 -1.044 2.131 -4.060 1.00 51.50 H new ATOM 0 HG2 ARG A 69 -2.600 4.391 -2.962 1.00 75.43 H new ATOM 0 HG3 ARG A 69 -0.890 4.490 -2.595 1.00 75.43 H new ATOM 0 HD2 ARG A 69 -2.089 4.135 -5.378 1.00 0.13 H new ATOM 0 HD3 ARG A 69 -1.436 5.628 -4.732 1.00 0.13 H new ATOM 0 HE ARG A 69 0.669 3.823 -4.482 1.00 65.43 H new ATOM 0 HH11 ARG A 69 -1.363 4.943 -7.096 1.00 20.10 H new ATOM 0 HH12 ARG A 69 -0.103 4.703 -8.311 1.00 20.10 H new ATOM 0 HH21 ARG A 69 2.243 3.556 -6.041 1.00 41.02 H new ATOM 0 HH22 ARG A 69 1.887 3.938 -7.729 1.00 41.02 H new ATOM 1114 N ARG A 70 -3.646 1.608 -5.372 1.00 33.44 N ATOM 1115 CA ARG A 70 -4.491 1.866 -6.548 1.00 23.23 C ATOM 1116 C ARG A 70 -5.982 1.607 -6.255 1.00 25.32 C ATOM 1117 O ARG A 70 -6.853 2.322 -6.753 1.00 20.05 O ATOM 1118 CB ARG A 70 -4.031 0.992 -7.730 1.00 41.13 C ATOM 1119 CG ARG A 70 -4.957 1.032 -8.948 1.00 20.15 C ATOM 1120 CD ARG A 70 -5.054 2.430 -9.560 1.00 5.02 C ATOM 1121 NE ARG A 70 -3.784 2.870 -10.138 1.00 65.12 N ATOM 1122 CZ ARG A 70 -3.528 4.095 -10.507 1.00 4.04 C ATOM 1123 NH1 ARG A 70 -4.419 5.025 -10.375 1.00 65.34 N ATOM 1124 NH2 ARG A 70 -2.378 4.382 -11.021 1.00 44.14 N ATOM 0 H ARG A 70 -2.906 0.925 -5.531 1.00 33.44 H new ATOM 0 HA ARG A 70 -4.382 2.920 -6.805 1.00 23.23 H new ATOM 0 HB2 ARG A 70 -3.035 1.312 -8.036 1.00 41.13 H new ATOM 0 HB3 ARG A 70 -3.943 -0.040 -7.390 1.00 41.13 H new ATOM 0 HG2 ARG A 70 -4.593 0.333 -9.701 1.00 20.15 H new ATOM 0 HG3 ARG A 70 -5.952 0.696 -8.656 1.00 20.15 H new ATOM 0 HD2 ARG A 70 -5.823 2.434 -10.332 1.00 5.02 H new ATOM 0 HD3 ARG A 70 -5.368 3.139 -8.794 1.00 5.02 H new ATOM 0 HE ARG A 70 -3.050 2.173 -10.261 1.00 65.12 H new ATOM 0 HH11 ARG A 70 -5.333 4.804 -9.979 1.00 65.34 H new ATOM 0 HH12 ARG A 70 -4.207 5.979 -10.667 1.00 65.34 H new ATOM 0 HH21 ARG A 70 -1.675 3.652 -11.137 1.00 44.14 H new ATOM 0 HH22 ARG A 70 -2.173 5.338 -11.311 1.00 44.14 H new ATOM 1138 N ARG A 71 -6.268 0.589 -5.445 1.00 13.13 N ATOM 1139 CA ARG A 71 -7.654 0.209 -5.148 1.00 65.50 C ATOM 1140 C ARG A 71 -8.259 1.093 -4.044 1.00 55.44 C ATOM 1141 O ARG A 71 -9.226 1.824 -4.268 1.00 33.12 O ATOM 1142 CB ARG A 71 -7.723 -1.261 -4.707 1.00 62.42 C ATOM 1143 CG ARG A 71 -6.863 -2.209 -5.535 1.00 4.31 C ATOM 1144 CD ARG A 71 -7.261 -2.242 -7.006 1.00 60.13 C ATOM 1145 NE ARG A 71 -6.390 -3.134 -7.772 1.00 24.42 N ATOM 1146 CZ ARG A 71 -6.700 -3.663 -8.923 1.00 61.31 C ATOM 1147 NH1 ARG A 71 -7.817 -3.370 -9.512 1.00 51.44 N ATOM 1148 NH2 ARG A 71 -5.871 -4.467 -9.496 1.00 73.03 N ATOM 0 H ARG A 71 -5.564 0.013 -4.983 1.00 13.13 H new ATOM 0 HA ARG A 71 -8.231 0.349 -6.062 1.00 65.50 H new ATOM 0 HB2 ARG A 71 -7.416 -1.329 -3.663 1.00 62.42 H new ATOM 0 HB3 ARG A 71 -8.760 -1.594 -4.756 1.00 62.42 H new ATOM 0 HG2 ARG A 71 -5.818 -1.908 -5.453 1.00 4.31 H new ATOM 0 HG3 ARG A 71 -6.938 -3.215 -5.121 1.00 4.31 H new ATOM 0 HD2 ARG A 71 -8.295 -2.573 -7.098 1.00 60.13 H new ATOM 0 HD3 ARG A 71 -7.210 -1.236 -7.421 1.00 60.13 H new ATOM 0 HE ARG A 71 -5.476 -3.358 -7.378 1.00 24.42 H new ATOM 0 HH11 ARG A 71 -8.468 -2.717 -9.075 1.00 51.44 H new ATOM 0 HH12 ARG A 71 -8.045 -3.792 -10.412 1.00 51.44 H new ATOM 0 HH21 ARG A 71 -4.980 -4.685 -9.049 1.00 73.03 H new ATOM 0 HH22 ARG A 71 -6.106 -4.885 -10.396 1.00 73.03 H new ATOM 1162 N GLY A 72 -7.673 1.019 -2.848 1.00 65.13 N ATOM 1163 CA GLY A 72 -8.226 1.709 -1.684 1.00 13.10 C ATOM 1164 C GLY A 72 -8.306 3.228 -1.830 1.00 24.32 C ATOM 1165 O GLY A 72 -9.257 3.855 -1.353 1.00 65.10 O ATOM 0 H GLY A 72 -6.820 0.491 -2.661 1.00 65.13 H new ATOM 0 HA2 GLY A 72 -9.226 1.322 -1.488 1.00 13.10 H new ATOM 0 HA3 GLY A 72 -7.616 1.472 -0.812 1.00 13.10 H new ATOM 1169 N LYS A 73 -7.318 3.826 -2.495 1.00 44.35 N ATOM 1170 CA LYS A 73 -7.246 5.289 -2.627 1.00 11.21 C ATOM 1171 C LYS A 73 -8.481 5.864 -3.342 1.00 12.33 C ATOM 1172 O LYS A 73 -8.780 7.053 -3.221 1.00 44.31 O ATOM 1173 CB LYS A 73 -5.964 5.697 -3.372 1.00 43.12 C ATOM 1174 CG LYS A 73 -5.648 7.189 -3.305 1.00 22.14 C ATOM 1175 CD LYS A 73 -5.442 7.653 -1.865 1.00 34.52 C ATOM 1176 CE LYS A 73 -5.058 9.125 -1.784 1.00 44.55 C ATOM 1177 NZ LYS A 73 -6.094 10.011 -2.380 1.00 33.01 N ATOM 0 H LYS A 73 -6.556 3.325 -2.951 1.00 44.35 H new ATOM 0 HA LYS A 73 -7.225 5.706 -1.620 1.00 11.21 H new ATOM 0 HB2 LYS A 73 -5.124 5.140 -2.957 1.00 43.12 H new ATOM 0 HB3 LYS A 73 -6.056 5.403 -4.418 1.00 43.12 H new ATOM 0 HG2 LYS A 73 -4.751 7.399 -3.888 1.00 22.14 H new ATOM 0 HG3 LYS A 73 -6.462 7.755 -3.758 1.00 22.14 H new ATOM 0 HD2 LYS A 73 -6.357 7.486 -1.297 1.00 34.52 H new ATOM 0 HD3 LYS A 73 -4.663 7.050 -1.399 1.00 34.52 H new ATOM 0 HE2 LYS A 73 -4.903 9.401 -0.741 1.00 44.55 H new ATOM 0 HE3 LYS A 73 -4.110 9.280 -2.299 1.00 44.55 H new ATOM 0 HZ1 LYS A 73 -5.839 11.005 -2.212 1.00 33.01 H new ATOM 0 HZ2 LYS A 73 -6.153 9.837 -3.404 1.00 33.01 H new ATOM 0 HZ3 LYS A 73 -7.016 9.811 -1.941 1.00 33.01 H new ATOM 1191 N ASN A 74 -9.201 5.011 -4.074 1.00 70.12 N ATOM 1192 CA ASN A 74 -10.422 5.419 -4.780 1.00 32.12 C ATOM 1193 C ASN A 74 -11.444 6.055 -3.818 1.00 21.14 C ATOM 1194 O ASN A 74 -12.123 7.026 -4.164 1.00 1.10 O ATOM 1195 CB ASN A 74 -11.044 4.208 -5.491 1.00 52.34 C ATOM 1196 CG ASN A 74 -12.244 4.576 -6.345 1.00 43.44 C ATOM 1197 OD1 ASN A 74 -13.386 4.541 -5.893 1.00 1.20 O ATOM 1198 ND2 ASN A 74 -12.000 4.940 -7.587 1.00 43.31 N ATOM 0 H ASN A 74 -8.959 4.027 -4.195 1.00 70.12 H new ATOM 0 HA ASN A 74 -10.149 6.172 -5.520 1.00 32.12 H new ATOM 0 HB2 ASN A 74 -10.289 3.735 -6.119 1.00 52.34 H new ATOM 0 HB3 ASN A 74 -11.347 3.472 -4.746 1.00 52.34 H new ATOM 0 HD21 ASN A 74 -12.770 5.203 -8.202 1.00 43.31 H new ATOM 0 HD22 ASN A 74 -11.041 4.959 -7.934 1.00 43.31 H new ATOM 1205 N LYS A 75 -11.544 5.506 -2.607 1.00 50.31 N ATOM 1206 CA LYS A 75 -12.431 6.059 -1.576 1.00 25.24 C ATOM 1207 C LYS A 75 -11.939 7.442 -1.114 1.00 25.43 C ATOM 1208 O LYS A 75 -12.729 8.364 -0.909 1.00 44.23 O ATOM 1209 CB LYS A 75 -12.517 5.103 -0.375 1.00 74.34 C ATOM 1210 CG LYS A 75 -13.393 5.622 0.767 1.00 14.20 C ATOM 1211 CD LYS A 75 -13.514 4.612 1.911 1.00 22.34 C ATOM 1212 CE LYS A 75 -14.247 3.342 1.482 1.00 24.24 C ATOM 1213 NZ LYS A 75 -15.623 3.630 0.989 1.00 1.04 N ATOM 0 H LYS A 75 -11.023 4.679 -2.313 1.00 50.31 H new ATOM 0 HA LYS A 75 -13.424 6.173 -2.010 1.00 25.24 H new ATOM 0 HB2 LYS A 75 -12.909 4.144 -0.714 1.00 74.34 H new ATOM 0 HB3 LYS A 75 -11.512 4.921 0.005 1.00 74.34 H new ATOM 0 HG2 LYS A 75 -12.974 6.553 1.150 1.00 14.20 H new ATOM 0 HG3 LYS A 75 -14.387 5.854 0.383 1.00 14.20 H new ATOM 0 HD2 LYS A 75 -12.519 4.351 2.271 1.00 22.34 H new ATOM 0 HD3 LYS A 75 -14.044 5.072 2.745 1.00 22.34 H new ATOM 0 HE2 LYS A 75 -13.678 2.843 0.698 1.00 24.24 H new ATOM 0 HE3 LYS A 75 -14.301 2.653 2.325 1.00 24.24 H new ATOM 0 HZ1 LYS A 75 -16.159 2.742 0.918 1.00 1.04 H new ATOM 0 HZ2 LYS A 75 -16.102 4.271 1.653 1.00 1.04 H new ATOM 0 HZ3 LYS A 75 -15.569 4.078 0.052 1.00 1.04 H new ATOM 1227 N VAL A 76 -10.623 7.579 -0.978 1.00 13.44 N ATOM 1228 CA VAL A 76 -10.005 8.838 -0.535 1.00 75.02 C ATOM 1229 C VAL A 76 -9.644 9.733 -1.744 1.00 44.40 C ATOM 1230 O VAL A 76 -8.663 10.481 -1.726 1.00 75.02 O ATOM 1231 CB VAL A 76 -8.736 8.547 0.317 1.00 41.11 C ATOM 1232 CG1 VAL A 76 -8.232 9.808 1.021 1.00 1.20 C ATOM 1233 CG2 VAL A 76 -9.010 7.439 1.333 1.00 4.24 C ATOM 0 H VAL A 76 -9.955 6.832 -1.168 1.00 13.44 H new ATOM 0 HA VAL A 76 -10.728 9.372 0.081 1.00 75.02 H new ATOM 0 HB VAL A 76 -7.953 8.210 -0.363 1.00 41.11 H new ATOM 0 HG11 VAL A 76 -7.345 9.568 1.607 1.00 1.20 H new ATOM 0 HG12 VAL A 76 -7.982 10.565 0.277 1.00 1.20 H new ATOM 0 HG13 VAL A 76 -9.010 10.192 1.681 1.00 1.20 H new ATOM 0 HG21 VAL A 76 -8.110 7.251 1.918 1.00 4.24 H new ATOM 0 HG22 VAL A 76 -9.817 7.746 1.998 1.00 4.24 H new ATOM 0 HG23 VAL A 76 -9.299 6.528 0.809 1.00 4.24 H new ATOM 1243 N ALA A 77 -10.453 9.657 -2.797 1.00 51.11 N ATOM 1244 CA ALA A 77 -10.244 10.475 -3.998 1.00 51.25 C ATOM 1245 C ALA A 77 -11.367 11.505 -4.200 1.00 74.41 C ATOM 1246 O ALA A 77 -11.176 12.509 -4.883 1.00 15.45 O ATOM 1247 CB ALA A 77 -10.125 9.580 -5.228 1.00 74.11 C ATOM 0 H ALA A 77 -11.262 9.038 -2.847 1.00 51.11 H new ATOM 0 HA ALA A 77 -9.315 11.028 -3.858 1.00 51.25 H new ATOM 0 HB1 ALA A 77 -9.970 10.197 -6.113 1.00 74.11 H new ATOM 0 HB2 ALA A 77 -9.280 8.903 -5.105 1.00 74.11 H new ATOM 0 HB3 ALA A 77 -11.040 9.000 -5.346 1.00 74.11 H new ATOM 1253 N ALA A 78 -12.526 11.262 -3.584 1.00 21.10 N ATOM 1254 CA ALA A 78 -13.715 12.109 -3.785 1.00 30.02 C ATOM 1255 C ALA A 78 -13.446 13.597 -3.491 1.00 54.21 C ATOM 1256 O ALA A 78 -13.889 14.477 -4.235 1.00 63.22 O ATOM 1257 CB ALA A 78 -14.870 11.606 -2.925 1.00 31.21 C ATOM 0 H ALA A 78 -12.672 10.485 -2.939 1.00 21.10 H new ATOM 0 HA ALA A 78 -13.980 12.036 -4.840 1.00 30.02 H new ATOM 0 HB1 ALA A 78 -15.743 12.239 -3.082 1.00 31.21 H new ATOM 0 HB2 ALA A 78 -15.111 10.580 -3.204 1.00 31.21 H new ATOM 0 HB3 ALA A 78 -14.582 11.638 -1.874 1.00 31.21 H new ATOM 1263 N GLN A 79 -12.721 13.874 -2.408 1.00 12.03 N ATOM 1264 CA GLN A 79 -12.437 15.257 -1.993 1.00 63.12 C ATOM 1265 C GLN A 79 -11.388 15.937 -2.892 1.00 51.01 C ATOM 1266 O GLN A 79 -11.281 17.162 -2.917 1.00 40.12 O ATOM 1267 CB GLN A 79 -11.949 15.280 -0.538 1.00 3.54 C ATOM 1268 CG GLN A 79 -12.970 14.761 0.472 1.00 60.15 C ATOM 1269 CD GLN A 79 -14.252 15.578 0.495 1.00 72.34 C ATOM 1270 OE1 GLN A 79 -14.254 16.774 0.213 1.00 64.42 O ATOM 1271 NE2 GLN A 79 -15.350 14.943 0.847 1.00 31.41 N ATOM 0 H GLN A 79 -12.317 13.163 -1.799 1.00 12.03 H new ATOM 0 HA GLN A 79 -13.368 15.815 -2.088 1.00 63.12 H new ATOM 0 HB2 GLN A 79 -11.042 14.681 -0.461 1.00 3.54 H new ATOM 0 HB3 GLN A 79 -11.679 16.302 -0.273 1.00 3.54 H new ATOM 0 HG2 GLN A 79 -13.211 13.724 0.237 1.00 60.15 H new ATOM 0 HG3 GLN A 79 -12.524 14.767 1.467 1.00 60.15 H new ATOM 0 HE21 GLN A 79 -15.314 13.949 1.075 1.00 31.41 H new ATOM 0 HE22 GLN A 79 -16.237 15.445 0.892 1.00 31.41 H new ATOM 1280 N ASN A 80 -10.619 15.138 -3.627 1.00 53.53 N ATOM 1281 CA ASN A 80 -9.528 15.659 -4.465 1.00 71.32 C ATOM 1282 C ASN A 80 -9.659 15.198 -5.927 1.00 34.05 C ATOM 1283 O ASN A 80 -8.684 15.184 -6.679 1.00 60.44 O ATOM 1284 CB ASN A 80 -8.174 15.231 -3.877 1.00 11.40 C ATOM 1285 CG ASN A 80 -8.098 13.742 -3.585 1.00 53.42 C ATOM 1286 OD1 ASN A 80 -7.665 12.951 -4.413 1.00 14.33 O ATOM 1287 ND2 ASN A 80 -8.530 13.348 -2.402 1.00 35.30 N ATOM 0 H ASN A 80 -10.727 14.124 -3.663 1.00 53.53 H new ATOM 0 HA ASN A 80 -9.591 16.747 -4.467 1.00 71.32 H new ATOM 0 HB2 ASN A 80 -7.380 15.500 -4.574 1.00 11.40 H new ATOM 0 HB3 ASN A 80 -7.992 15.786 -2.957 1.00 11.40 H new ATOM 0 HD21 ASN A 80 -8.509 12.359 -2.155 1.00 35.30 H new ATOM 0 HD22 ASN A 80 -8.885 14.033 -1.735 1.00 35.30 H new ATOM 1294 N TYR A 81 -10.880 14.849 -6.325 1.00 72.14 N ATOM 1295 CA TYR A 81 -11.162 14.394 -7.694 1.00 44.21 C ATOM 1296 C TYR A 81 -11.353 15.591 -8.650 1.00 61.42 C ATOM 1297 O TYR A 81 -11.115 16.743 -8.275 1.00 20.35 O ATOM 1298 CB TYR A 81 -12.418 13.500 -7.679 1.00 61.34 C ATOM 1299 CG TYR A 81 -12.538 12.556 -8.866 1.00 74.32 C ATOM 1300 CD1 TYR A 81 -11.444 11.814 -9.299 1.00 64.24 C ATOM 1301 CD2 TYR A 81 -13.747 12.392 -9.539 1.00 31.50 C ATOM 1302 CE1 TYR A 81 -11.550 10.942 -10.364 1.00 40.15 C ATOM 1303 CE2 TYR A 81 -13.857 11.521 -10.608 1.00 61.43 C ATOM 1304 CZ TYR A 81 -12.756 10.798 -11.015 1.00 62.11 C ATOM 1305 OH TYR A 81 -12.858 9.919 -12.072 1.00 54.01 O ATOM 0 H TYR A 81 -11.699 14.871 -5.717 1.00 72.14 H new ATOM 0 HA TYR A 81 -10.312 13.819 -8.061 1.00 44.21 H new ATOM 0 HB2 TYR A 81 -12.418 12.911 -6.762 1.00 61.34 H new ATOM 0 HB3 TYR A 81 -13.301 14.138 -7.648 1.00 61.34 H new ATOM 0 HD1 TYR A 81 -10.496 11.922 -8.794 1.00 64.24 H new ATOM 0 HD2 TYR A 81 -14.612 12.954 -9.221 1.00 31.50 H new ATOM 0 HE1 TYR A 81 -10.690 10.374 -10.686 1.00 40.15 H new ATOM 0 HE2 TYR A 81 -14.801 11.408 -11.121 1.00 61.43 H new ATOM 0 HH TYR A 81 -13.773 9.933 -12.422 1.00 54.01 H new ATOM 1315 N ARG A 82 -11.763 15.320 -9.892 1.00 4.22 N ATOM 1316 CA ARG A 82 -12.024 16.384 -10.873 1.00 60.43 C ATOM 1317 C ARG A 82 -13.084 17.380 -10.366 1.00 75.23 C ATOM 1318 O ARG A 82 -14.001 17.007 -9.631 1.00 2.12 O ATOM 1319 CB ARG A 82 -12.461 15.777 -12.214 1.00 52.40 C ATOM 1320 CG ARG A 82 -13.735 14.940 -12.139 1.00 10.21 C ATOM 1321 CD ARG A 82 -14.010 14.213 -13.453 1.00 21.41 C ATOM 1322 NE ARG A 82 -12.887 13.362 -13.847 1.00 22.04 N ATOM 1323 CZ ARG A 82 -12.880 12.582 -14.895 1.00 31.13 C ATOM 1324 NH1 ARG A 82 -13.919 12.492 -15.664 1.00 11.31 N ATOM 1325 NH2 ARG A 82 -11.823 11.886 -15.170 1.00 31.40 N ATOM 0 H ARG A 82 -11.922 14.376 -10.244 1.00 4.22 H new ATOM 0 HA ARG A 82 -11.095 16.936 -11.017 1.00 60.43 H new ATOM 0 HB2 ARG A 82 -12.611 16.583 -12.932 1.00 52.40 H new ATOM 0 HB3 ARG A 82 -11.653 15.154 -12.598 1.00 52.40 H new ATOM 0 HG2 ARG A 82 -13.646 14.213 -11.332 1.00 10.21 H new ATOM 0 HG3 ARG A 82 -14.580 15.584 -11.895 1.00 10.21 H new ATOM 0 HD2 ARG A 82 -14.909 13.605 -13.351 1.00 21.41 H new ATOM 0 HD3 ARG A 82 -14.206 14.943 -14.238 1.00 21.41 H new ATOM 0 HE ARG A 82 -12.051 13.379 -13.263 1.00 22.04 H new ATOM 0 HH11 ARG A 82 -14.757 13.034 -15.455 1.00 11.31 H new ATOM 0 HH12 ARG A 82 -13.899 11.879 -16.479 1.00 11.31 H new ATOM 0 HH21 ARG A 82 -11.001 11.948 -14.569 1.00 31.40 H new ATOM 0 HH22 ARG A 82 -11.813 11.276 -15.987 1.00 31.40 H new ATOM 1339 N LYS A 83 -12.933 18.646 -10.758 1.00 3.52 N ATOM 1340 CA LYS A 83 -13.835 19.735 -10.335 1.00 2.30 C ATOM 1341 C LYS A 83 -13.700 20.076 -8.834 1.00 11.21 C ATOM 1342 O LYS A 83 -14.374 20.979 -8.338 1.00 21.32 O ATOM 1343 CB LYS A 83 -15.300 19.404 -10.676 1.00 51.15 C ATOM 1344 CG LYS A 83 -15.559 19.239 -12.169 1.00 34.44 C ATOM 1345 CD LYS A 83 -17.026 18.923 -12.478 1.00 12.41 C ATOM 1346 CE LYS A 83 -17.954 20.116 -12.239 1.00 42.13 C ATOM 1347 NZ LYS A 83 -18.094 20.459 -10.797 1.00 13.11 N ATOM 0 H LYS A 83 -12.183 18.952 -11.378 1.00 3.52 H new ATOM 0 HA LYS A 83 -13.530 20.619 -10.895 1.00 2.30 H new ATOM 0 HB2 LYS A 83 -15.585 18.485 -10.163 1.00 51.15 H new ATOM 0 HB3 LYS A 83 -15.942 20.196 -10.290 1.00 51.15 H new ATOM 0 HG2 LYS A 83 -15.270 20.153 -12.688 1.00 34.44 H new ATOM 0 HG3 LYS A 83 -14.929 18.439 -12.558 1.00 34.44 H new ATOM 0 HD2 LYS A 83 -17.113 18.604 -13.517 1.00 12.41 H new ATOM 0 HD3 LYS A 83 -17.351 18.087 -11.859 1.00 12.41 H new ATOM 0 HE2 LYS A 83 -17.571 20.982 -12.778 1.00 42.13 H new ATOM 0 HE3 LYS A 83 -18.938 19.893 -12.652 1.00 42.13 H new ATOM 0 HZ1 LYS A 83 -19.096 20.627 -10.576 1.00 13.11 H new ATOM 0 HZ2 LYS A 83 -17.739 19.672 -10.217 1.00 13.11 H new ATOM 0 HZ3 LYS A 83 -17.545 21.317 -10.589 1.00 13.11 H new ATOM 1361 N ARG A 84 -12.831 19.366 -8.116 1.00 73.44 N ATOM 1362 CA ARG A 84 -12.581 19.647 -6.692 1.00 52.11 C ATOM 1363 C ARG A 84 -11.208 20.306 -6.497 1.00 52.31 C ATOM 1364 O ARG A 84 -10.314 20.156 -7.334 1.00 65.03 O ATOM 1365 CB ARG A 84 -12.662 18.346 -5.873 1.00 1.04 C ATOM 1366 CG ARG A 84 -14.049 17.709 -5.867 1.00 14.11 C ATOM 1367 CD ARG A 84 -15.047 18.495 -5.016 1.00 32.15 C ATOM 1368 NE ARG A 84 -14.845 18.274 -3.581 1.00 54.23 N ATOM 1369 CZ ARG A 84 -14.608 19.218 -2.707 1.00 24.12 C ATOM 1370 NH1 ARG A 84 -14.481 20.450 -3.083 1.00 43.24 N ATOM 1371 NH2 ARG A 84 -14.506 18.925 -1.451 1.00 4.52 N ATOM 0 H ARG A 84 -12.285 18.591 -8.492 1.00 73.44 H new ATOM 0 HA ARG A 84 -13.347 20.339 -6.341 1.00 52.11 H new ATOM 0 HB2 ARG A 84 -11.945 17.630 -6.274 1.00 1.04 H new ATOM 0 HB3 ARG A 84 -12.364 18.555 -4.846 1.00 1.04 H new ATOM 0 HG2 ARG A 84 -14.420 17.643 -6.890 1.00 14.11 H new ATOM 0 HG3 ARG A 84 -13.976 16.690 -5.488 1.00 14.11 H new ATOM 0 HD2 ARG A 84 -14.951 19.558 -5.235 1.00 32.15 H new ATOM 0 HD3 ARG A 84 -16.062 18.204 -5.287 1.00 32.15 H new ATOM 0 HE ARG A 84 -14.893 17.314 -3.239 1.00 54.23 H new ATOM 0 HH11 ARG A 84 -14.566 20.693 -4.070 1.00 43.24 H new ATOM 0 HH12 ARG A 84 -14.296 21.178 -2.392 1.00 43.24 H new ATOM 0 HH21 ARG A 84 -14.610 17.958 -1.143 1.00 4.52 H new ATOM 0 HH22 ARG A 84 -14.321 19.661 -0.769 1.00 4.52 H new ATOM 1385 N LYS A 85 -11.042 21.044 -5.401 1.00 14.02 N ATOM 1386 CA LYS A 85 -9.754 21.671 -5.085 1.00 0.54 C ATOM 1387 C LYS A 85 -8.745 20.632 -4.571 1.00 42.31 C ATOM 1388 O LYS A 85 -8.533 20.490 -3.367 1.00 54.11 O ATOM 1389 CB LYS A 85 -9.941 22.801 -4.058 1.00 21.31 C ATOM 1390 CG LYS A 85 -10.763 23.981 -4.578 1.00 44.25 C ATOM 1391 CD LYS A 85 -10.086 24.681 -5.756 1.00 2.05 C ATOM 1392 CE LYS A 85 -8.740 25.288 -5.367 1.00 75.42 C ATOM 1393 NZ LYS A 85 -8.882 26.365 -4.349 1.00 4.00 N ATOM 0 H LYS A 85 -11.778 21.224 -4.718 1.00 14.02 H new ATOM 0 HA LYS A 85 -9.354 22.102 -6.003 1.00 0.54 H new ATOM 0 HB2 LYS A 85 -10.427 22.395 -3.171 1.00 21.31 H new ATOM 0 HB3 LYS A 85 -8.961 23.162 -3.748 1.00 21.31 H new ATOM 0 HG2 LYS A 85 -11.748 23.629 -4.884 1.00 44.25 H new ATOM 0 HG3 LYS A 85 -10.917 24.698 -3.771 1.00 44.25 H new ATOM 0 HD2 LYS A 85 -9.940 23.967 -6.566 1.00 2.05 H new ATOM 0 HD3 LYS A 85 -10.741 25.465 -6.136 1.00 2.05 H new ATOM 0 HE2 LYS A 85 -8.089 24.505 -4.977 1.00 75.42 H new ATOM 0 HE3 LYS A 85 -8.255 25.692 -6.256 1.00 75.42 H new ATOM 0 HZ1 LYS A 85 -7.966 26.839 -4.215 1.00 4.00 H new ATOM 0 HZ2 LYS A 85 -9.586 27.058 -4.673 1.00 4.00 H new ATOM 0 HZ3 LYS A 85 -9.193 25.951 -3.447 1.00 4.00 H new ATOM 1407 N LEU A 86 -8.151 19.892 -5.506 1.00 41.30 N ATOM 1408 CA LEU A 86 -7.205 18.814 -5.181 1.00 21.43 C ATOM 1409 C LEU A 86 -5.898 19.341 -4.556 1.00 24.33 C ATOM 1410 O LEU A 86 -5.717 20.548 -4.369 1.00 24.05 O ATOM 1411 CB LEU A 86 -6.886 17.975 -6.438 1.00 3.24 C ATOM 1412 CG LEU A 86 -6.003 18.649 -7.513 1.00 31.54 C ATOM 1413 CD1 LEU A 86 -5.611 17.641 -8.592 1.00 15.31 C ATOM 1414 CD2 LEU A 86 -6.698 19.857 -8.141 1.00 53.50 C ATOM 0 H LEU A 86 -8.308 20.018 -6.506 1.00 41.30 H new ATOM 0 HA LEU A 86 -7.692 18.185 -4.436 1.00 21.43 H new ATOM 0 HB2 LEU A 86 -6.393 17.057 -6.119 1.00 3.24 H new ATOM 0 HB3 LEU A 86 -7.828 17.686 -6.903 1.00 3.24 H new ATOM 0 HG LEU A 86 -5.100 19.008 -7.018 1.00 31.54 H new ATOM 0 HD11 LEU A 86 -4.990 18.133 -9.341 1.00 15.31 H new ATOM 0 HD12 LEU A 86 -5.053 16.821 -8.139 1.00 15.31 H new ATOM 0 HD13 LEU A 86 -6.510 17.249 -9.067 1.00 15.31 H new ATOM 0 HD21 LEU A 86 -6.045 20.303 -8.891 1.00 53.50 H new ATOM 0 HD22 LEU A 86 -7.627 19.538 -8.612 1.00 53.50 H new ATOM 0 HD23 LEU A 86 -6.918 20.593 -7.368 1.00 53.50 H new ATOM 1426 N GLU A 87 -4.993 18.410 -4.238 1.00 40.11 N ATOM 1427 CA GLU A 87 -3.709 18.727 -3.593 1.00 74.24 C ATOM 1428 C GLU A 87 -3.911 19.388 -2.219 1.00 61.34 C ATOM 1429 O GLU A 87 -3.255 20.373 -1.871 1.00 62.30 O ATOM 1430 CB GLU A 87 -2.835 19.601 -4.509 1.00 72.31 C ATOM 1431 CG GLU A 87 -2.539 18.969 -5.870 1.00 44.32 C ATOM 1432 CD GLU A 87 -2.034 17.534 -5.766 1.00 73.42 C ATOM 1433 OE1 GLU A 87 -0.836 17.335 -5.462 1.00 71.40 O ATOM 1434 OE2 GLU A 87 -2.834 16.597 -5.986 1.00 21.51 O ATOM 0 H GLU A 87 -5.127 17.415 -4.419 1.00 40.11 H new ATOM 0 HA GLU A 87 -3.185 17.786 -3.424 1.00 74.24 H new ATOM 0 HB2 GLU A 87 -3.333 20.558 -4.664 1.00 72.31 H new ATOM 0 HB3 GLU A 87 -1.892 19.810 -4.004 1.00 72.31 H new ATOM 0 HG2 GLU A 87 -3.445 18.986 -6.476 1.00 44.32 H new ATOM 0 HG3 GLU A 87 -1.795 19.573 -6.390 1.00 44.32 H new ATOM 1441 N THR A 88 -4.836 18.833 -1.444 1.00 34.11 N ATOM 1442 CA THR A 88 -5.069 19.263 -0.060 1.00 12.40 C ATOM 1443 C THR A 88 -5.375 18.055 0.834 1.00 73.12 C ATOM 1444 O THR A 88 -6.428 17.426 0.709 1.00 3.13 O ATOM 1445 CB THR A 88 -6.230 20.288 0.039 1.00 1.22 C ATOM 1446 OG1 THR A 88 -5.921 21.454 -0.740 1.00 3.04 O ATOM 1447 CG2 THR A 88 -6.490 20.700 1.487 1.00 30.14 C ATOM 0 H THR A 88 -5.446 18.075 -1.751 1.00 34.11 H new ATOM 0 HA THR A 88 -4.156 19.749 0.283 1.00 12.40 H new ATOM 0 HB THR A 88 -7.130 19.810 -0.348 1.00 1.22 H new ATOM 0 HG1 THR A 88 -6.658 22.096 -0.674 1.00 3.04 H new ATOM 0 HG21 THR A 88 -7.309 21.418 1.519 1.00 30.14 H new ATOM 0 HG22 THR A 88 -6.755 19.820 2.074 1.00 30.14 H new ATOM 0 HG23 THR A 88 -5.591 21.156 1.903 1.00 30.14 H new ATOM 1455 N ILE A 89 -4.440 17.726 1.724 1.00 32.44 N ATOM 1456 CA ILE A 89 -4.578 16.556 2.599 1.00 73.44 C ATOM 1457 C ILE A 89 -5.738 16.720 3.597 1.00 32.32 C ATOM 1458 O ILE A 89 -5.606 17.392 4.622 1.00 50.14 O ATOM 1459 CB ILE A 89 -3.267 16.276 3.381 1.00 11.24 C ATOM 1460 CG1 ILE A 89 -2.080 16.121 2.413 1.00 61.24 C ATOM 1461 CG2 ILE A 89 -3.413 15.028 4.260 1.00 12.13 C ATOM 1462 CD1 ILE A 89 -2.242 14.994 1.414 1.00 24.52 C ATOM 0 H ILE A 89 -3.577 18.252 1.861 1.00 32.44 H new ATOM 0 HA ILE A 89 -4.795 15.709 1.948 1.00 73.44 H new ATOM 0 HB ILE A 89 -3.071 17.129 4.031 1.00 11.24 H new ATOM 0 HG12 ILE A 89 -1.942 17.056 1.871 1.00 61.24 H new ATOM 0 HG13 ILE A 89 -1.172 15.952 2.992 1.00 61.24 H new ATOM 0 HG21 ILE A 89 -2.482 14.851 4.799 1.00 12.13 H new ATOM 0 HG22 ILE A 89 -4.222 15.179 4.974 1.00 12.13 H new ATOM 0 HG23 ILE A 89 -3.639 14.166 3.633 1.00 12.13 H new ATOM 0 HD11 ILE A 89 -1.365 14.951 0.769 1.00 24.52 H new ATOM 0 HD12 ILE A 89 -2.348 14.049 1.946 1.00 24.52 H new ATOM 0 HD13 ILE A 89 -3.130 15.170 0.807 1.00 24.52 H new ATOM 1474 N VAL A 90 -6.880 16.116 3.276 1.00 62.34 N ATOM 1475 CA VAL A 90 -8.051 16.125 4.162 1.00 14.14 C ATOM 1476 C VAL A 90 -8.389 14.703 4.645 1.00 40.12 C ATOM 1477 O VAL A 90 -8.166 13.726 3.926 1.00 53.42 O ATOM 1478 CB VAL A 90 -9.288 16.739 3.459 1.00 5.55 C ATOM 1479 CG1 VAL A 90 -9.044 18.209 3.121 1.00 4.14 C ATOM 1480 CG2 VAL A 90 -9.653 15.948 2.201 1.00 22.12 C ATOM 0 H VAL A 90 -7.024 15.609 2.403 1.00 62.34 H new ATOM 0 HA VAL A 90 -7.796 16.743 5.023 1.00 14.14 H new ATOM 0 HB VAL A 90 -10.130 16.682 4.149 1.00 5.55 H new ATOM 0 HG11 VAL A 90 -9.925 18.620 2.628 1.00 4.14 H new ATOM 0 HG12 VAL A 90 -8.848 18.765 4.038 1.00 4.14 H new ATOM 0 HG13 VAL A 90 -8.184 18.292 2.456 1.00 4.14 H new ATOM 0 HG21 VAL A 90 -10.524 16.400 1.727 1.00 22.12 H new ATOM 0 HG22 VAL A 90 -8.814 15.962 1.506 1.00 22.12 H new ATOM 0 HG23 VAL A 90 -9.882 14.917 2.473 1.00 22.12 H new ATOM 1490 N GLN A 91 -8.929 14.591 5.859 1.00 10.52 N ATOM 1491 CA GLN A 91 -9.222 13.278 6.461 1.00 74.41 C ATOM 1492 C GLN A 91 -10.717 12.908 6.329 1.00 32.55 C ATOM 1493 O GLN A 91 -11.070 12.133 5.409 1.00 38.60 O ATOM 1494 CB GLN A 91 -8.796 13.274 7.938 1.00 43.54 C ATOM 1495 CG GLN A 91 -7.360 13.747 8.170 1.00 72.34 C ATOM 1496 CD GLN A 91 -6.321 12.907 7.439 1.00 71.53 C ATOM 1497 OE1 GLN A 91 -6.502 11.715 7.222 1.00 12.23 O ATOM 1498 NE2 GLN A 91 -5.218 13.521 7.059 1.00 54.10 N ATOM 1499 OXT GLN A 91 -11.536 13.413 7.134 1.00 38.60 O ATOM 0 H GLN A 91 -9.174 15.387 6.448 1.00 10.52 H new ATOM 0 HA GLN A 91 -8.651 12.524 5.919 1.00 74.41 H new ATOM 0 HB2 GLN A 91 -9.474 13.913 8.503 1.00 43.54 H new ATOM 0 HB3 GLN A 91 -8.904 12.264 8.334 1.00 43.54 H new ATOM 0 HG2 GLN A 91 -7.270 14.784 7.847 1.00 72.34 H new ATOM 0 HG3 GLN A 91 -7.147 13.726 9.239 1.00 72.34 H new ATOM 0 HE21 GLN A 91 -5.095 14.515 7.253 1.00 54.10 H new ATOM 0 HE22 GLN A 91 -4.488 13.002 6.571 1.00 54.10 H new TER 1508 GLN A 91