USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 803 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 50 TYR OH : rot -61:sc= 0.427 USER MOD Set 1.2: A 62 MET CE :methyl -163:sc= -2.76 (180deg=-3.14) USER MOD Set 2.1: A 17 ASN : amide:sc= -5.31! C(o=-5.2!,f=-3!) USER MOD Set 2.2: A 20 THR OG1 : rot 127:sc= 0.123 USER MOD Single : A 1 LEU N :NH3+ 175:sc= -1.42 (180deg=-1.78) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc=-0.00317 (180deg=-0.166) USER MOD Single : A 14 ASN : amide:sc= -0.037 K(o=-0.037,f=-2.2!) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.191 (180deg=-0.643) USER MOD Single : A 25 HIS : no HD1:sc= -6.56! C(o=-6.6!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -4.22! K(o=-4.2!,f=-1.4) USER MOD Single : A 29 SER OG : rot 69:sc= 0.505 USER MOD Single : A 36 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.38) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc=-0.00287 (180deg=-0.00287) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.4! K(o=-3.4!,f=-1.3) USER MOD Single : A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0422) USER MOD Single : A 69 MET CE :methyl 158:sc= 0 (180deg=-0.525) USER MOD Single : A 72 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.14) USER MOD Single : A 74 MET CE :methyl 161:sc= -0.11 (180deg=-0.647) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.306 (180deg=-1.51!) USER MOD Single : A 76 ASN : amide:sc= -13.3! C(o=-13!,f=-2.5!) USER MOD Single : A 79 THR OG1 : rot 120:sc= -0.843 USER MOD Single : A 80 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.8!) USER MOD Single : A 81 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.32) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 93 SER OG : rot 138:sc= 1.26 USER MOD Single : A 94 THR OG1 : rot -27:sc= 1.22 USER MOD Single : A 95 GLN : amide:sc= -2.03 K(o=-2,f=-0.66) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= -0.641 (180deg=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.752 26.296 -30.647 1.00 0.00 N ATOM 2 CA LEU A 1 10.568 25.492 -30.237 1.00 0.00 C ATOM 3 C LEU A 1 9.988 26.067 -28.943 1.00 0.00 C ATOM 4 O LEU A 1 9.919 25.397 -27.932 1.00 0.00 O ATOM 5 CB LEU A 1 10.979 24.031 -30.007 1.00 0.00 C ATOM 6 CG LEU A 1 12.248 23.958 -29.119 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.198 22.705 -28.236 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.509 23.891 -29.995 1.00 0.00 C ATOM 0 H1 LEU A 1 12.198 25.858 -31.478 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.450 27.262 -30.885 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.436 26.330 -29.864 1.00 0.00 H new ATOM 0 HA LEU A 1 9.818 25.531 -31.027 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.163 23.488 -29.531 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.169 23.545 -30.964 1.00 0.00 H new ATOM 0 HG LEU A 1 12.282 24.852 -28.496 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.093 22.661 -27.615 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.315 22.745 -27.598 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.150 21.817 -28.867 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.392 23.840 -29.358 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.466 23.004 -30.627 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.564 24.781 -30.622 1.00 0.00 H new ATOM 20 N LYS A 2 9.565 27.304 -28.971 1.00 0.00 N ATOM 21 CA LYS A 2 8.981 27.933 -27.748 1.00 0.00 C ATOM 22 C LYS A 2 9.848 27.599 -26.529 1.00 0.00 C ATOM 23 O LYS A 2 11.005 27.251 -26.654 1.00 0.00 O ATOM 24 CB LYS A 2 7.561 27.400 -27.521 1.00 0.00 C ATOM 25 CG LYS A 2 6.699 27.628 -28.773 1.00 0.00 C ATOM 26 CD LYS A 2 6.223 29.084 -28.835 1.00 0.00 C ATOM 27 CE LYS A 2 5.209 29.239 -29.969 1.00 0.00 C ATOM 28 NZ LYS A 2 5.892 29.040 -31.279 1.00 0.00 N ATOM 0 H LYS A 2 9.599 27.909 -29.792 1.00 0.00 H new ATOM 0 HA LYS A 2 8.947 29.014 -27.885 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.598 26.336 -27.285 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.110 27.901 -26.664 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.274 27.388 -29.667 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.839 26.958 -28.758 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.770 29.371 -27.886 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.071 29.749 -28.997 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.404 28.513 -29.853 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.754 30.229 -29.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.255 29.326 -32.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.756 29.618 -31.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.142 28.037 -31.391 1.00 0.00 H new ATOM 42 N GLU A 3 9.296 27.700 -25.350 1.00 0.00 N ATOM 43 CA GLU A 3 10.086 27.385 -24.126 1.00 0.00 C ATOM 44 C GLU A 3 10.321 25.875 -24.048 1.00 0.00 C ATOM 45 O GLU A 3 9.673 25.175 -23.294 1.00 0.00 O ATOM 46 CB GLU A 3 9.314 27.847 -22.888 1.00 0.00 C ATOM 47 CG GLU A 3 10.181 27.652 -21.643 1.00 0.00 C ATOM 48 CD GLU A 3 9.462 28.233 -20.424 1.00 0.00 C ATOM 49 OE1 GLU A 3 9.060 29.383 -20.491 1.00 0.00 O ATOM 50 OE2 GLU A 3 9.325 27.518 -19.444 1.00 0.00 O ATOM 0 H GLU A 3 8.332 27.987 -25.182 1.00 0.00 H new ATOM 0 HA GLU A 3 11.045 27.901 -24.168 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.037 28.896 -22.990 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.388 27.280 -22.792 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.382 26.592 -21.489 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.145 28.142 -21.778 1.00 0.00 H new ATOM 57 N VAL A 4 11.240 25.368 -24.825 1.00 0.00 N ATOM 58 CA VAL A 4 11.519 23.902 -24.803 1.00 0.00 C ATOM 59 C VAL A 4 10.243 23.128 -25.152 1.00 0.00 C ATOM 60 O VAL A 4 10.234 21.914 -25.193 1.00 0.00 O ATOM 61 CB VAL A 4 12.009 23.495 -23.407 1.00 0.00 C ATOM 62 CG1 VAL A 4 12.681 22.119 -23.466 1.00 0.00 C ATOM 63 CG2 VAL A 4 13.022 24.527 -22.903 1.00 0.00 C ATOM 0 H VAL A 4 11.811 25.907 -25.476 1.00 0.00 H new ATOM 0 HA VAL A 4 12.290 23.669 -25.538 1.00 0.00 H new ATOM 0 HB VAL A 4 11.156 23.450 -22.730 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.025 21.839 -22.470 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.965 21.379 -23.823 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.532 22.158 -24.146 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.371 24.240 -21.911 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.869 24.570 -23.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.548 25.507 -22.851 1.00 0.00 H new ATOM 73 N TRP A 5 9.167 23.821 -25.414 1.00 0.00 N ATOM 74 CA TRP A 5 7.896 23.125 -25.767 1.00 0.00 C ATOM 75 C TRP A 5 7.593 22.041 -24.730 1.00 0.00 C ATOM 76 O TRP A 5 8.114 20.945 -24.792 1.00 0.00 O ATOM 77 CB TRP A 5 8.033 22.486 -27.147 1.00 0.00 C ATOM 78 CG TRP A 5 6.745 21.825 -27.522 1.00 0.00 C ATOM 79 CD1 TRP A 5 5.557 22.459 -27.650 1.00 0.00 C ATOM 80 CD2 TRP A 5 6.495 20.420 -27.816 1.00 0.00 C ATOM 81 NE1 TRP A 5 4.593 21.533 -28.006 1.00 0.00 N ATOM 82 CE2 TRP A 5 5.122 20.261 -28.122 1.00 0.00 C ATOM 83 CE3 TRP A 5 7.318 19.281 -27.850 1.00 0.00 C ATOM 84 CZ2 TRP A 5 4.585 19.013 -28.446 1.00 0.00 C ATOM 85 CZ3 TRP A 5 6.782 18.025 -28.177 1.00 0.00 C ATOM 86 CH2 TRP A 5 5.419 17.892 -28.474 1.00 0.00 C ATOM 0 H TRP A 5 9.114 24.839 -25.399 1.00 0.00 H new ATOM 0 HA TRP A 5 7.081 23.848 -25.778 1.00 0.00 H new ATOM 0 HB2 TRP A 5 8.293 23.244 -27.886 1.00 0.00 H new ATOM 0 HB3 TRP A 5 8.841 21.755 -27.142 1.00 0.00 H new ATOM 0 HD1 TRP A 5 5.389 23.515 -27.499 1.00 0.00 H new ATOM 0 HE1 TRP A 5 3.611 21.761 -28.164 1.00 0.00 H new ATOM 0 HE3 TRP A 5 8.370 19.373 -27.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 3.534 18.915 -28.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 7.424 17.157 -28.200 1.00 0.00 H new ATOM 0 HH2 TRP A 5 5.013 16.923 -28.725 1.00 0.00 H new ATOM 97 N GLU A 6 6.753 22.337 -23.775 1.00 0.00 N ATOM 98 CA GLU A 6 6.413 21.322 -22.735 1.00 0.00 C ATOM 99 C GLU A 6 5.042 21.642 -22.138 1.00 0.00 C ATOM 100 O GLU A 6 4.350 20.771 -21.653 1.00 0.00 O ATOM 101 CB GLU A 6 7.471 21.354 -21.629 1.00 0.00 C ATOM 102 CG GLU A 6 7.632 22.786 -21.115 1.00 0.00 C ATOM 103 CD GLU A 6 8.703 22.819 -20.024 1.00 0.00 C ATOM 104 OE1 GLU A 6 8.672 21.956 -19.164 1.00 0.00 O ATOM 105 OE2 GLU A 6 9.537 23.709 -20.067 1.00 0.00 O ATOM 0 H GLU A 6 6.287 23.238 -23.670 1.00 0.00 H new ATOM 0 HA GLU A 6 6.389 20.331 -23.188 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.178 20.694 -20.812 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.423 20.985 -22.011 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.912 23.448 -21.934 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.684 23.151 -20.720 1.00 0.00 H new ATOM 112 N GLU A 7 4.648 22.889 -22.173 1.00 0.00 N ATOM 113 CA GLU A 7 3.321 23.284 -21.612 1.00 0.00 C ATOM 114 C GLU A 7 3.260 22.938 -20.122 1.00 0.00 C ATOM 115 O GLU A 7 3.548 21.830 -19.716 1.00 0.00 O ATOM 116 CB GLU A 7 2.202 22.547 -22.358 1.00 0.00 C ATOM 117 CG GLU A 7 0.852 23.202 -22.044 1.00 0.00 C ATOM 118 CD GLU A 7 -0.279 22.303 -22.548 1.00 0.00 C ATOM 119 OE1 GLU A 7 -0.102 21.690 -23.588 1.00 0.00 O ATOM 120 OE2 GLU A 7 -1.302 22.245 -21.886 1.00 0.00 O ATOM 0 H GLU A 7 5.192 23.656 -22.569 1.00 0.00 H new ATOM 0 HA GLU A 7 3.190 24.359 -21.735 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.389 22.574 -23.432 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.185 21.498 -22.063 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.754 23.361 -20.970 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.792 24.182 -22.518 1.00 0.00 H new ATOM 127 N LEU A 8 2.885 23.881 -19.302 1.00 0.00 N ATOM 128 CA LEU A 8 2.802 23.609 -17.839 1.00 0.00 C ATOM 129 C LEU A 8 1.965 24.710 -17.174 1.00 0.00 C ATOM 130 O LEU A 8 2.447 25.468 -16.356 1.00 0.00 O ATOM 131 CB LEU A 8 4.229 23.576 -17.252 1.00 0.00 C ATOM 132 CG LEU A 8 4.292 22.623 -16.042 1.00 0.00 C ATOM 133 CD1 LEU A 8 5.718 22.602 -15.468 1.00 0.00 C ATOM 134 CD2 LEU A 8 3.320 23.089 -14.948 1.00 0.00 C ATOM 0 H LEU A 8 2.632 24.829 -19.582 1.00 0.00 H new ATOM 0 HA LEU A 8 2.325 22.646 -17.655 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.936 23.251 -18.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.527 24.579 -16.948 1.00 0.00 H new ATOM 0 HG LEU A 8 4.012 21.623 -16.373 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.756 21.927 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.413 22.258 -16.234 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.997 23.606 -15.150 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.374 22.408 -14.099 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.591 24.094 -14.625 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.304 23.097 -15.343 1.00 0.00 H new ATOM 146 N ASP A 9 0.710 24.801 -17.524 1.00 0.00 N ATOM 147 CA ASP A 9 -0.160 25.848 -16.917 1.00 0.00 C ATOM 148 C ASP A 9 -0.019 25.807 -15.394 1.00 0.00 C ATOM 149 O ASP A 9 0.125 26.825 -14.746 1.00 0.00 O ATOM 150 CB ASP A 9 -1.617 25.580 -17.300 1.00 0.00 C ATOM 151 CG ASP A 9 -2.027 24.191 -16.809 1.00 0.00 C ATOM 152 OD1 ASP A 9 -1.325 23.243 -17.120 1.00 0.00 O ATOM 153 OD2 ASP A 9 -3.037 24.098 -16.131 1.00 0.00 O ATOM 0 H ASP A 9 0.250 24.195 -18.204 1.00 0.00 H new ATOM 0 HA ASP A 9 0.140 26.830 -17.284 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.265 26.338 -16.861 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.738 25.645 -18.381 1.00 0.00 H new ATOM 158 N GLY A 10 -0.061 24.636 -14.819 1.00 0.00 N ATOM 159 CA GLY A 10 0.066 24.522 -13.339 1.00 0.00 C ATOM 160 C GLY A 10 -0.365 23.119 -12.905 1.00 0.00 C ATOM 161 O GLY A 10 -1.237 22.957 -12.075 1.00 0.00 O ATOM 0 H GLY A 10 -0.178 23.751 -15.312 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.096 24.710 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.553 25.274 -12.850 1.00 0.00 H new ATOM 165 N LEU A 11 0.245 22.103 -13.464 1.00 0.00 N ATOM 166 CA LEU A 11 -0.111 20.695 -13.096 1.00 0.00 C ATOM 167 C LEU A 11 1.177 19.890 -12.914 1.00 0.00 C ATOM 168 O LEU A 11 2.257 20.442 -12.841 1.00 0.00 O ATOM 169 CB LEU A 11 -0.944 20.063 -14.219 1.00 0.00 C ATOM 170 CG LEU A 11 -2.231 20.869 -14.448 1.00 0.00 C ATOM 171 CD1 LEU A 11 -2.904 20.382 -15.735 1.00 0.00 C ATOM 172 CD2 LEU A 11 -3.197 20.679 -13.265 1.00 0.00 C ATOM 0 H LEU A 11 0.981 22.188 -14.165 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.689 20.693 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.360 20.029 -15.139 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.193 19.034 -13.961 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.980 21.926 -14.533 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.819 20.950 -15.904 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.227 20.526 -16.577 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.146 19.323 -15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.105 21.256 -13.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.451 19.623 -13.168 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.720 21.023 -12.347 1.00 0.00 H new ATOM 184 N ASP A 12 1.074 18.588 -12.846 1.00 0.00 N ATOM 185 CA ASP A 12 2.308 17.752 -12.671 1.00 0.00 C ATOM 186 C ASP A 12 3.201 18.356 -11.573 1.00 0.00 C ATOM 187 O ASP A 12 4.279 18.838 -11.858 1.00 0.00 O ATOM 188 CB ASP A 12 3.085 17.713 -13.989 1.00 0.00 C ATOM 189 CG ASP A 12 4.248 16.726 -13.872 1.00 0.00 C ATOM 190 OD1 ASP A 12 4.608 16.395 -12.755 1.00 0.00 O ATOM 191 OD2 ASP A 12 4.758 16.317 -14.902 1.00 0.00 O ATOM 0 H ASP A 12 0.199 18.067 -12.903 1.00 0.00 H new ATOM 0 HA ASP A 12 2.018 16.742 -12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.424 17.416 -14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.462 18.707 -14.230 1.00 0.00 H new ATOM 196 N PRO A 13 2.737 18.292 -10.338 1.00 0.00 N ATOM 197 CA PRO A 13 3.505 18.813 -9.192 1.00 0.00 C ATOM 198 C PRO A 13 4.758 17.950 -8.979 1.00 0.00 C ATOM 199 O PRO A 13 5.574 18.230 -8.124 1.00 0.00 O ATOM 200 CB PRO A 13 2.542 18.707 -7.984 1.00 0.00 C ATOM 201 CG PRO A 13 1.254 17.984 -8.475 1.00 0.00 C ATOM 202 CD PRO A 13 1.420 17.710 -9.986 1.00 0.00 C ATOM 0 HA PRO A 13 3.846 19.838 -9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.007 18.151 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.302 19.697 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.107 17.051 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.375 18.602 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.391 16.641 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.618 18.172 -10.562 1.00 0.00 H new ATOM 210 N ASN A 14 4.921 16.917 -9.765 1.00 0.00 N ATOM 211 CA ASN A 14 6.120 16.039 -9.634 1.00 0.00 C ATOM 212 C ASN A 14 6.437 15.773 -8.158 1.00 0.00 C ATOM 213 O ASN A 14 7.112 16.549 -7.511 1.00 0.00 O ATOM 214 CB ASN A 14 7.302 16.745 -10.291 1.00 0.00 C ATOM 215 CG ASN A 14 8.455 15.757 -10.476 1.00 0.00 C ATOM 216 OD1 ASN A 14 8.300 14.574 -10.242 1.00 0.00 O ATOM 217 ND2 ASN A 14 9.613 16.193 -10.889 1.00 0.00 N ATOM 0 H ASN A 14 4.268 16.643 -10.499 1.00 0.00 H new ATOM 0 HA ASN A 14 5.926 15.082 -10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.003 17.154 -11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.625 17.584 -9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.388 15.542 -11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.744 17.185 -11.086 1.00 0.00 H new ATOM 224 N ARG A 15 5.964 14.683 -7.617 1.00 0.00 N ATOM 225 CA ARG A 15 6.253 14.389 -6.184 1.00 0.00 C ATOM 226 C ARG A 15 6.013 12.906 -5.889 1.00 0.00 C ATOM 227 O ARG A 15 5.190 12.261 -6.507 1.00 0.00 O ATOM 228 CB ARG A 15 5.345 15.243 -5.296 1.00 0.00 C ATOM 229 CG ARG A 15 3.885 14.797 -5.461 1.00 0.00 C ATOM 230 CD ARG A 15 2.931 15.840 -4.833 1.00 0.00 C ATOM 231 NE ARG A 15 1.888 15.151 -4.005 1.00 0.00 N ATOM 232 CZ ARG A 15 1.238 14.110 -4.458 1.00 0.00 C ATOM 233 NH1 ARG A 15 1.416 13.702 -5.684 1.00 0.00 N ATOM 234 NH2 ARG A 15 0.383 13.494 -3.687 1.00 0.00 N ATOM 0 H ARG A 15 5.395 13.988 -8.100 1.00 0.00 H new ATOM 0 HA ARG A 15 7.297 14.625 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.648 15.148 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.446 16.295 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.653 14.672 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.738 13.827 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.497 16.536 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.454 16.427 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 15 1.681 15.501 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.066 14.195 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.906 12.890 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.224 13.825 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.126 12.682 -4.036 1.00 0.00 H new ATOM 248 N PHE A 16 6.728 12.369 -4.939 1.00 0.00 N ATOM 249 CA PHE A 16 6.555 10.933 -4.581 1.00 0.00 C ATOM 250 C PHE A 16 6.807 10.057 -5.813 1.00 0.00 C ATOM 251 O PHE A 16 7.381 10.491 -6.792 1.00 0.00 O ATOM 252 CB PHE A 16 5.127 10.707 -4.053 1.00 0.00 C ATOM 253 CG PHE A 16 5.096 9.495 -3.141 1.00 0.00 C ATOM 254 CD1 PHE A 16 5.810 9.512 -1.937 1.00 0.00 C ATOM 255 CD2 PHE A 16 4.356 8.358 -3.499 1.00 0.00 C ATOM 256 CE1 PHE A 16 5.786 8.396 -1.091 1.00 0.00 C ATOM 257 CE2 PHE A 16 4.332 7.243 -2.652 1.00 0.00 C ATOM 258 CZ PHE A 16 5.047 7.262 -1.449 1.00 0.00 C ATOM 0 H PHE A 16 7.430 12.867 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 16 7.271 10.662 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.787 11.589 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.441 10.562 -4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.380 10.387 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.805 8.343 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.338 8.410 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.762 6.368 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.029 6.402 -0.797 1.00 0.00 H new ATOM 268 N ASN A 17 6.388 8.822 -5.764 1.00 0.00 N ATOM 269 CA ASN A 17 6.605 7.905 -6.918 1.00 0.00 C ATOM 270 C ASN A 17 5.831 6.596 -6.657 1.00 0.00 C ATOM 271 O ASN A 17 6.417 5.614 -6.248 1.00 0.00 O ATOM 272 CB ASN A 17 8.110 7.605 -7.040 1.00 0.00 C ATOM 273 CG ASN A 17 8.607 6.934 -5.756 1.00 0.00 C ATOM 274 OD1 ASN A 17 9.302 5.939 -5.806 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.275 7.440 -4.600 1.00 0.00 N ATOM 0 H ASN A 17 5.902 8.407 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 17 6.252 8.362 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.293 6.955 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.662 8.528 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.599 7.000 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.691 8.276 -4.558 1.00 0.00 H new ATOM 282 N PRO A 18 4.528 6.620 -6.868 1.00 0.00 N ATOM 283 CA PRO A 18 3.684 5.433 -6.615 1.00 0.00 C ATOM 284 C PRO A 18 4.137 4.236 -7.467 1.00 0.00 C ATOM 285 O PRO A 18 3.770 3.110 -7.208 1.00 0.00 O ATOM 286 CB PRO A 18 2.247 5.881 -6.984 1.00 0.00 C ATOM 287 CG PRO A 18 2.307 7.397 -7.329 1.00 0.00 C ATOM 288 CD PRO A 18 3.796 7.804 -7.373 1.00 0.00 C ATOM 0 HA PRO A 18 3.750 5.096 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.872 5.309 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.564 5.703 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.828 7.591 -8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.771 7.982 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.107 8.058 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.985 8.680 -6.752 1.00 0.00 H new ATOM 296 N LYS A 19 4.912 4.469 -8.488 1.00 0.00 N ATOM 297 CA LYS A 19 5.357 3.338 -9.353 1.00 0.00 C ATOM 298 C LYS A 19 6.291 2.389 -8.585 1.00 0.00 C ATOM 299 O LYS A 19 6.264 1.189 -8.788 1.00 0.00 O ATOM 300 CB LYS A 19 6.094 3.892 -10.574 1.00 0.00 C ATOM 301 CG LYS A 19 6.526 2.733 -11.474 1.00 0.00 C ATOM 302 CD LYS A 19 6.991 3.279 -12.825 1.00 0.00 C ATOM 303 CE LYS A 19 7.672 2.162 -13.617 1.00 0.00 C ATOM 304 NZ LYS A 19 8.961 1.800 -12.963 1.00 0.00 N ATOM 0 H LYS A 19 5.256 5.389 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 19 4.476 2.778 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.446 4.574 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.965 4.466 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.332 2.172 -11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.696 2.041 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.141 3.670 -13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.683 4.108 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.021 1.289 -13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.851 2.486 -14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.751 2.037 -13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.060 2.330 -12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.973 0.780 -12.761 1.00 0.00 H new ATOM 318 N THR A 20 7.132 2.900 -7.724 1.00 0.00 N ATOM 319 CA THR A 20 8.065 2.007 -6.988 1.00 0.00 C ATOM 320 C THR A 20 7.313 1.225 -5.907 1.00 0.00 C ATOM 321 O THR A 20 7.542 0.047 -5.714 1.00 0.00 O ATOM 322 CB THR A 20 9.175 2.847 -6.357 1.00 0.00 C ATOM 323 OG1 THR A 20 9.964 3.441 -7.377 1.00 0.00 O ATOM 324 CG2 THR A 20 10.052 1.955 -5.486 1.00 0.00 C ATOM 0 H THR A 20 7.211 3.892 -7.502 1.00 0.00 H new ATOM 0 HA THR A 20 8.503 1.292 -7.685 1.00 0.00 H new ATOM 0 HB THR A 20 8.732 3.632 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.017 4.408 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.844 2.553 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.446 1.504 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.494 1.169 -6.099 1.00 0.00 H new ATOM 332 N PHE A 21 6.418 1.859 -5.201 1.00 0.00 N ATOM 333 CA PHE A 21 5.667 1.128 -4.141 1.00 0.00 C ATOM 334 C PHE A 21 5.005 -0.096 -4.790 1.00 0.00 C ATOM 335 O PHE A 21 4.875 -1.140 -4.182 1.00 0.00 O ATOM 336 CB PHE A 21 4.614 2.087 -3.511 1.00 0.00 C ATOM 337 CG PHE A 21 3.240 1.445 -3.442 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.442 1.390 -4.590 1.00 0.00 C ATOM 339 CD2 PHE A 21 2.773 0.905 -2.237 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.176 0.797 -4.536 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.505 0.312 -2.183 1.00 0.00 C ATOM 342 CZ PHE A 21 0.707 0.258 -3.333 1.00 0.00 C ATOM 0 H PHE A 21 6.175 2.844 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 21 6.328 0.790 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.934 2.371 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.558 3.003 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.804 1.806 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.389 0.946 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.561 0.755 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.143 -0.104 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.270 -0.200 -3.291 1.00 0.00 H new ATOM 352 N PHE A 22 4.590 0.029 -6.019 1.00 0.00 N ATOM 353 CA PHE A 22 3.945 -1.119 -6.707 1.00 0.00 C ATOM 354 C PHE A 22 4.986 -2.216 -6.969 1.00 0.00 C ATOM 355 O PHE A 22 4.694 -3.395 -6.885 1.00 0.00 O ATOM 356 CB PHE A 22 3.338 -0.642 -8.035 1.00 0.00 C ATOM 357 CG PHE A 22 2.422 -1.710 -8.583 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.938 -2.722 -9.402 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.058 -1.688 -8.273 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.088 -3.712 -9.911 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.208 -2.677 -8.781 1.00 0.00 C ATOM 362 CZ PHE A 22 0.723 -3.689 -9.599 1.00 0.00 C ATOM 0 H PHE A 22 4.671 0.879 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 22 3.154 -1.525 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.784 0.284 -7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.130 -0.424 -8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.991 -2.739 -9.641 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.661 -0.907 -7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.485 -4.492 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.845 -2.659 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.067 -4.453 -9.990 1.00 0.00 H new ATOM 372 N ILE A 23 6.207 -1.846 -7.273 1.00 0.00 N ATOM 373 CA ILE A 23 7.243 -2.877 -7.527 1.00 0.00 C ATOM 374 C ILE A 23 7.609 -3.552 -6.204 1.00 0.00 C ATOM 375 O ILE A 23 7.439 -4.743 -6.037 1.00 0.00 O ATOM 376 CB ILE A 23 8.474 -2.208 -8.137 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.105 -1.625 -9.505 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.581 -3.243 -8.303 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.251 -0.756 -10.028 1.00 0.00 C ATOM 0 H ILE A 23 6.523 -0.879 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 23 6.866 -3.629 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 23 8.822 -1.409 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.898 -2.431 -10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.195 -1.031 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.461 -2.768 -8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.838 -3.660 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.237 -4.041 -8.960 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.981 -0.345 -11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.438 0.059 -9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.151 -1.362 -10.127 1.00 0.00 H new ATOM 391 N LEU A 24 8.110 -2.801 -5.264 1.00 0.00 N ATOM 392 CA LEU A 24 8.485 -3.405 -3.951 1.00 0.00 C ATOM 393 C LEU A 24 7.360 -4.325 -3.431 1.00 0.00 C ATOM 394 O LEU A 24 7.629 -5.364 -2.860 1.00 0.00 O ATOM 395 CB LEU A 24 8.750 -2.283 -2.934 1.00 0.00 C ATOM 396 CG LEU A 24 9.605 -2.814 -1.760 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.099 -2.753 -2.117 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.364 -1.957 -0.509 1.00 0.00 C ATOM 0 H LEU A 24 8.277 -1.798 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 24 9.385 -4.005 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.264 -1.455 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.804 -1.894 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 24 9.317 -3.847 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.688 -3.130 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.288 -3.365 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.382 -1.721 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.969 -2.337 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.641 -0.924 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.310 -2.002 -0.235 1.00 0.00 H new ATOM 410 N HIS A 25 6.107 -3.973 -3.613 1.00 0.00 N ATOM 411 CA HIS A 25 5.013 -4.858 -3.116 1.00 0.00 C ATOM 412 C HIS A 25 4.877 -6.075 -4.033 1.00 0.00 C ATOM 413 O HIS A 25 4.278 -7.068 -3.672 1.00 0.00 O ATOM 414 CB HIS A 25 3.687 -4.091 -3.091 1.00 0.00 C ATOM 415 CG HIS A 25 3.781 -2.959 -2.106 1.00 0.00 C ATOM 416 ND1 HIS A 25 4.976 -2.310 -1.837 1.00 0.00 N ATOM 417 CD2 HIS A 25 2.838 -2.353 -1.314 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.723 -1.360 -0.918 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.435 -1.343 -0.565 1.00 0.00 N ATOM 0 H HIS A 25 5.801 -3.119 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 25 5.257 -5.187 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.459 -3.705 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.872 -4.761 -2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.792 -2.619 -1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.470 -0.693 -0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.985 -0.723 0.109 1.00 0.00 H new ATOM 427 N ASP A 26 5.438 -6.019 -5.213 1.00 0.00 N ATOM 428 CA ASP A 26 5.342 -7.193 -6.130 1.00 0.00 C ATOM 429 C ASP A 26 6.368 -8.246 -5.684 1.00 0.00 C ATOM 430 O ASP A 26 7.513 -8.223 -6.086 1.00 0.00 O ATOM 431 CB ASP A 26 5.628 -6.742 -7.571 1.00 0.00 C ATOM 432 CG ASP A 26 4.934 -7.683 -8.559 1.00 0.00 C ATOM 433 OD1 ASP A 26 4.862 -8.866 -8.269 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.485 -7.204 -9.588 1.00 0.00 O ATOM 0 H ASP A 26 5.954 -5.219 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 26 4.341 -7.623 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.275 -5.721 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.703 -6.737 -7.753 1.00 0.00 H new ATOM 439 N ILE A 27 5.965 -9.146 -4.829 1.00 0.00 N ATOM 440 CA ILE A 27 6.897 -10.183 -4.315 1.00 0.00 C ATOM 441 C ILE A 27 7.145 -11.266 -5.371 1.00 0.00 C ATOM 442 O ILE A 27 8.262 -11.702 -5.567 1.00 0.00 O ATOM 443 CB ILE A 27 6.253 -10.789 -3.065 1.00 0.00 C ATOM 444 CG1 ILE A 27 6.177 -9.711 -1.972 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.064 -11.977 -2.549 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.414 -10.239 -0.753 1.00 0.00 C ATOM 0 H ILE A 27 5.015 -9.205 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 27 7.865 -9.741 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 27 5.255 -11.143 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.183 -9.411 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.681 -8.822 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.583 -12.387 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.116 -12.745 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.072 -11.647 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.369 -9.464 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.402 -10.516 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.927 -11.114 -0.353 1.00 0.00 H new ATOM 458 N ASN A 28 6.119 -11.710 -6.051 1.00 0.00 N ATOM 459 CA ASN A 28 6.309 -12.777 -7.093 1.00 0.00 C ATOM 460 C ASN A 28 6.468 -12.139 -8.476 1.00 0.00 C ATOM 461 O ASN A 28 6.426 -12.815 -9.485 1.00 0.00 O ATOM 462 CB ASN A 28 5.104 -13.724 -7.102 1.00 0.00 C ATOM 463 CG ASN A 28 5.409 -14.932 -7.994 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.561 -15.776 -8.199 1.00 0.00 O ATOM 465 ND2 ASN A 28 6.591 -15.051 -8.537 1.00 0.00 N ATOM 0 H ASN A 28 5.159 -11.384 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 28 7.209 -13.343 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.881 -14.055 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.220 -13.202 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.800 -15.852 -9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.305 -14.343 -8.366 1.00 0.00 H new ATOM 472 N SER A 29 6.673 -10.851 -8.533 1.00 0.00 N ATOM 473 CA SER A 29 6.860 -10.174 -9.853 1.00 0.00 C ATOM 474 C SER A 29 5.833 -10.685 -10.869 1.00 0.00 C ATOM 475 O SER A 29 6.181 -11.101 -11.957 1.00 0.00 O ATOM 476 CB SER A 29 8.266 -10.465 -10.372 1.00 0.00 C ATOM 477 OG SER A 29 8.322 -11.795 -10.867 1.00 0.00 O ATOM 0 H SER A 29 6.720 -10.235 -7.721 1.00 0.00 H new ATOM 0 HA SER A 29 6.722 -9.101 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.527 -9.760 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.995 -10.332 -9.573 1.00 0.00 H new ATOM 0 HG SER A 29 7.787 -11.862 -11.686 1.00 0.00 H new ATOM 483 N ASP A 30 4.568 -10.646 -10.533 1.00 0.00 N ATOM 484 CA ASP A 30 3.517 -11.118 -11.488 1.00 0.00 C ATOM 485 C ASP A 30 2.938 -9.909 -12.224 1.00 0.00 C ATOM 486 O ASP A 30 2.106 -10.037 -13.100 1.00 0.00 O ATOM 487 CB ASP A 30 2.403 -11.822 -10.707 1.00 0.00 C ATOM 488 CG ASP A 30 1.378 -12.397 -11.685 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.785 -12.840 -12.747 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.204 -12.386 -11.356 1.00 0.00 O ATOM 0 H ASP A 30 4.217 -10.307 -9.637 1.00 0.00 H new ATOM 0 HA ASP A 30 3.951 -11.814 -12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.823 -12.619 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.920 -11.119 -10.029 1.00 0.00 H new ATOM 495 N GLY A 31 3.373 -8.735 -11.861 1.00 0.00 N ATOM 496 CA GLY A 31 2.862 -7.499 -12.516 1.00 0.00 C ATOM 497 C GLY A 31 1.467 -7.168 -11.976 1.00 0.00 C ATOM 498 O GLY A 31 0.883 -6.164 -12.334 1.00 0.00 O ATOM 0 H GLY A 31 4.068 -8.578 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.542 -6.668 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.821 -7.639 -13.596 1.00 0.00 H new ATOM 502 N VAL A 32 0.942 -7.983 -11.092 1.00 0.00 N ATOM 503 CA VAL A 32 -0.405 -7.689 -10.496 1.00 0.00 C ATOM 504 C VAL A 32 -0.383 -8.114 -9.025 1.00 0.00 C ATOM 505 O VAL A 32 0.385 -8.977 -8.645 1.00 0.00 O ATOM 506 CB VAL A 32 -1.515 -8.443 -11.275 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.091 -8.620 -12.733 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.789 -9.827 -10.658 1.00 0.00 C ATOM 0 H VAL A 32 1.385 -8.838 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.623 -6.623 -10.565 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.428 -7.851 -11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.873 -9.150 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.932 -7.642 -13.187 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.166 -9.195 -12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.571 -10.330 -11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.878 -10.425 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.112 -9.707 -9.624 1.00 0.00 H new ATOM 518 N LEU A 33 -1.233 -7.547 -8.203 1.00 0.00 N ATOM 519 CA LEU A 33 -1.276 -7.957 -6.748 1.00 0.00 C ATOM 520 C LEU A 33 -2.628 -8.618 -6.481 1.00 0.00 C ATOM 521 O LEU A 33 -3.662 -8.078 -6.817 1.00 0.00 O ATOM 522 CB LEU A 33 -1.103 -6.735 -5.815 1.00 0.00 C ATOM 523 CG LEU A 33 0.185 -5.962 -6.156 1.00 0.00 C ATOM 524 CD1 LEU A 33 0.433 -4.905 -5.074 1.00 0.00 C ATOM 525 CD2 LEU A 33 1.384 -6.924 -6.209 1.00 0.00 C ATOM 0 H LEU A 33 -1.899 -6.821 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.458 -8.648 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.965 -6.074 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.069 -7.066 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 33 0.070 -5.485 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.343 -4.352 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.411 -4.216 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.543 -5.394 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.288 -6.365 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.505 -7.408 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.210 -7.681 -6.974 1.00 0.00 H new ATOM 537 N ASP A 34 -2.631 -9.792 -5.895 1.00 0.00 N ATOM 538 CA ASP A 34 -3.927 -10.503 -5.625 1.00 0.00 C ATOM 539 C ASP A 34 -4.267 -10.446 -4.135 1.00 0.00 C ATOM 540 O ASP A 34 -3.500 -9.970 -3.321 1.00 0.00 O ATOM 541 CB ASP A 34 -3.817 -11.967 -6.067 1.00 0.00 C ATOM 542 CG ASP A 34 -2.769 -12.677 -5.212 1.00 0.00 C ATOM 543 OD1 ASP A 34 -2.037 -11.990 -4.520 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.716 -13.895 -5.262 1.00 0.00 O ATOM 0 H ASP A 34 -1.794 -10.290 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.719 -10.009 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.782 -12.463 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.541 -12.021 -7.120 1.00 0.00 H new ATOM 549 N GLU A 35 -5.428 -10.928 -3.786 1.00 0.00 N ATOM 550 CA GLU A 35 -5.863 -10.911 -2.356 1.00 0.00 C ATOM 551 C GLU A 35 -4.782 -11.541 -1.468 1.00 0.00 C ATOM 552 O GLU A 35 -4.829 -11.433 -0.258 1.00 0.00 O ATOM 553 CB GLU A 35 -7.166 -11.699 -2.209 1.00 0.00 C ATOM 554 CG GLU A 35 -8.343 -10.855 -2.706 1.00 0.00 C ATOM 555 CD GLU A 35 -9.633 -11.672 -2.607 1.00 0.00 C ATOM 556 OE1 GLU A 35 -10.217 -11.692 -1.537 1.00 0.00 O ATOM 557 OE2 GLU A 35 -10.015 -12.261 -3.605 1.00 0.00 O ATOM 0 H GLU A 35 -6.101 -11.337 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.022 -9.878 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.106 -12.627 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.319 -11.974 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.429 -9.946 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.173 -10.546 -3.738 1.00 0.00 H new ATOM 564 N GLN A 36 -3.808 -12.184 -2.044 1.00 0.00 N ATOM 565 CA GLN A 36 -2.731 -12.799 -1.214 1.00 0.00 C ATOM 566 C GLN A 36 -1.693 -11.731 -0.873 1.00 0.00 C ATOM 567 O GLN A 36 -1.229 -11.638 0.246 1.00 0.00 O ATOM 568 CB GLN A 36 -2.059 -13.935 -1.992 1.00 0.00 C ATOM 569 CG GLN A 36 -3.123 -14.905 -2.514 1.00 0.00 C ATOM 570 CD GLN A 36 -3.766 -15.650 -1.338 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.764 -16.323 -1.506 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.237 -15.559 -0.145 1.00 0.00 N ATOM 0 H GLN A 36 -3.708 -12.312 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.163 -13.202 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.485 -13.528 -2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.356 -14.464 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.884 -14.359 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.672 -15.617 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.399 -14.995 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.662 -16.052 0.640 1.00 0.00 H new ATOM 581 N GLU A 37 -1.331 -10.919 -1.826 1.00 0.00 N ATOM 582 CA GLU A 37 -0.333 -9.849 -1.549 1.00 0.00 C ATOM 583 C GLU A 37 -1.004 -8.752 -0.716 1.00 0.00 C ATOM 584 O GLU A 37 -0.371 -8.081 0.070 1.00 0.00 O ATOM 585 CB GLU A 37 0.176 -9.258 -2.873 1.00 0.00 C ATOM 586 CG GLU A 37 1.215 -10.194 -3.499 1.00 0.00 C ATOM 587 CD GLU A 37 0.630 -11.602 -3.634 1.00 0.00 C ATOM 588 OE1 GLU A 37 0.511 -12.273 -2.622 1.00 0.00 O ATOM 589 OE2 GLU A 37 0.318 -11.987 -4.748 1.00 0.00 O ATOM 0 H GLU A 37 -1.682 -10.950 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 37 0.512 -10.265 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.657 -9.114 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.617 -8.277 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.513 -9.819 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.113 -10.221 -2.881 1.00 0.00 H new ATOM 596 N LEU A 38 -2.286 -8.572 -0.891 1.00 0.00 N ATOM 597 CA LEU A 38 -3.020 -7.523 -0.121 1.00 0.00 C ATOM 598 C LEU A 38 -3.378 -8.067 1.271 1.00 0.00 C ATOM 599 O LEU A 38 -3.293 -7.362 2.260 1.00 0.00 O ATOM 600 CB LEU A 38 -4.324 -7.150 -0.878 1.00 0.00 C ATOM 601 CG LEU A 38 -4.087 -6.091 -1.988 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.020 -6.556 -2.991 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.398 -5.857 -2.755 1.00 0.00 C ATOM 0 H LEU A 38 -2.861 -9.110 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.391 -6.639 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.751 -8.049 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.056 -6.768 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.744 -5.175 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.880 -5.790 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.078 -6.724 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.344 -7.484 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.235 -5.114 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.727 -6.792 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.163 -5.499 -2.067 1.00 0.00 H new ATOM 615 N GLU A 39 -3.777 -9.305 1.365 1.00 0.00 N ATOM 616 CA GLU A 39 -4.137 -9.869 2.690 1.00 0.00 C ATOM 617 C GLU A 39 -2.876 -10.038 3.539 1.00 0.00 C ATOM 618 O GLU A 39 -2.894 -9.841 4.739 1.00 0.00 O ATOM 619 CB GLU A 39 -4.805 -11.228 2.488 1.00 0.00 C ATOM 620 CG GLU A 39 -5.138 -11.832 3.848 1.00 0.00 C ATOM 621 CD GLU A 39 -6.065 -13.034 3.663 1.00 0.00 C ATOM 622 OE1 GLU A 39 -5.558 -14.118 3.427 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.267 -12.850 3.762 1.00 0.00 O ATOM 0 H GLU A 39 -3.868 -9.949 0.579 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.823 -9.194 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.713 -11.116 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.143 -11.893 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.223 -12.140 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.617 -11.085 4.481 1.00 0.00 H new ATOM 630 N ALA A 40 -1.788 -10.418 2.933 1.00 0.00 N ATOM 631 CA ALA A 40 -0.533 -10.620 3.710 1.00 0.00 C ATOM 632 C ALA A 40 0.080 -9.275 4.126 1.00 0.00 C ATOM 633 O ALA A 40 0.772 -9.187 5.120 1.00 0.00 O ATOM 634 CB ALA A 40 0.474 -11.388 2.863 1.00 0.00 C ATOM 0 H ALA A 40 -1.712 -10.598 1.932 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.776 -11.186 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.392 -11.535 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.056 -12.357 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.695 -10.822 1.958 1.00 0.00 H new ATOM 640 N LEU A 41 -0.140 -8.233 3.368 1.00 0.00 N ATOM 641 CA LEU A 41 0.471 -6.911 3.727 1.00 0.00 C ATOM 642 C LEU A 41 -0.294 -6.262 4.898 1.00 0.00 C ATOM 643 O LEU A 41 0.270 -5.492 5.648 1.00 0.00 O ATOM 644 CB LEU A 41 0.454 -5.974 2.486 1.00 0.00 C ATOM 645 CG LEU A 41 1.884 -5.678 1.993 1.00 0.00 C ATOM 646 CD1 LEU A 41 2.482 -6.929 1.343 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.835 -4.552 0.958 1.00 0.00 C ATOM 0 H LEU A 41 -0.710 -8.235 2.522 1.00 0.00 H new ATOM 0 HA LEU A 41 1.503 -7.071 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.121 -6.438 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.047 -5.040 2.739 1.00 0.00 H new ATOM 0 HG LEU A 41 2.502 -5.382 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.493 -6.712 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.514 -7.738 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.865 -7.229 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.844 -4.338 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.214 -4.858 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.412 -3.657 1.414 1.00 0.00 H new ATOM 659 N PHE A 42 -1.561 -6.543 5.060 1.00 0.00 N ATOM 660 CA PHE A 42 -2.310 -5.898 6.191 1.00 0.00 C ATOM 661 C PHE A 42 -2.026 -6.655 7.491 1.00 0.00 C ATOM 662 O PHE A 42 -1.779 -6.063 8.525 1.00 0.00 O ATOM 663 CB PHE A 42 -3.830 -5.904 5.926 1.00 0.00 C ATOM 664 CG PHE A 42 -4.143 -5.440 4.508 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.473 -4.334 3.942 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.099 -6.133 3.742 1.00 0.00 C ATOM 667 CE1 PHE A 42 -3.763 -3.936 2.632 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.376 -5.731 2.434 1.00 0.00 C ATOM 669 CZ PHE A 42 -4.710 -4.635 1.878 1.00 0.00 C ATOM 0 H PHE A 42 -2.104 -7.177 4.474 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.975 -4.864 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.225 -6.909 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.330 -5.253 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.737 -3.795 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.620 -6.978 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.254 -3.086 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.108 -6.269 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.927 -4.328 0.866 1.00 0.00 H new ATOM 679 N THR A 43 -2.074 -7.956 7.455 1.00 0.00 N ATOM 680 CA THR A 43 -1.829 -8.748 8.694 1.00 0.00 C ATOM 681 C THR A 43 -0.395 -8.548 9.203 1.00 0.00 C ATOM 682 O THR A 43 -0.178 -8.279 10.368 1.00 0.00 O ATOM 683 CB THR A 43 -2.061 -10.233 8.391 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.434 -10.440 8.090 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.671 -11.081 9.604 1.00 0.00 C ATOM 0 H THR A 43 -2.273 -8.508 6.620 1.00 0.00 H new ATOM 0 HA THR A 43 -2.516 -8.407 9.468 1.00 0.00 H new ATOM 0 HB THR A 43 -1.448 -10.527 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.587 -11.388 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.839 -12.135 9.381 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.618 -10.922 9.835 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.278 -10.791 10.461 1.00 0.00 H new ATOM 693 N LYS A 44 0.588 -8.718 8.360 1.00 0.00 N ATOM 694 CA LYS A 44 1.999 -8.581 8.832 1.00 0.00 C ATOM 695 C LYS A 44 2.325 -7.135 9.237 1.00 0.00 C ATOM 696 O LYS A 44 2.898 -6.900 10.280 1.00 0.00 O ATOM 697 CB LYS A 44 2.964 -9.060 7.740 1.00 0.00 C ATOM 698 CG LYS A 44 3.156 -7.982 6.663 1.00 0.00 C ATOM 699 CD LYS A 44 3.866 -8.591 5.448 1.00 0.00 C ATOM 700 CE LYS A 44 5.135 -9.325 5.899 1.00 0.00 C ATOM 701 NZ LYS A 44 6.046 -9.504 4.732 1.00 0.00 N ATOM 0 H LYS A 44 0.478 -8.944 7.372 1.00 0.00 H new ATOM 0 HA LYS A 44 2.119 -9.204 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.927 -9.310 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.578 -9.971 7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.190 -7.574 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.742 -7.154 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.198 -9.283 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.123 -7.807 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.637 -8.758 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.876 -10.295 6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.907 -10.002 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.565 -10.062 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.303 -8.573 4.346 1.00 0.00 H new ATOM 715 N GLU A 45 1.983 -6.162 8.441 1.00 0.00 N ATOM 716 CA GLU A 45 2.312 -4.758 8.841 1.00 0.00 C ATOM 717 C GLU A 45 1.735 -4.504 10.236 1.00 0.00 C ATOM 718 O GLU A 45 2.232 -3.689 10.989 1.00 0.00 O ATOM 719 CB GLU A 45 1.711 -3.761 7.836 1.00 0.00 C ATOM 720 CG GLU A 45 2.659 -3.577 6.642 1.00 0.00 C ATOM 721 CD GLU A 45 1.935 -2.817 5.530 1.00 0.00 C ATOM 722 OE1 GLU A 45 1.203 -1.895 5.849 1.00 0.00 O ATOM 723 OE2 GLU A 45 2.124 -3.170 4.378 1.00 0.00 O ATOM 0 H GLU A 45 1.500 -6.269 7.549 1.00 0.00 H new ATOM 0 HA GLU A 45 3.393 -4.622 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.743 -4.122 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.538 -2.802 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.549 -3.029 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.993 -4.548 6.276 1.00 0.00 H new ATOM 730 N LEU A 46 0.688 -5.199 10.581 1.00 0.00 N ATOM 731 CA LEU A 46 0.064 -5.013 11.920 1.00 0.00 C ATOM 732 C LEU A 46 0.921 -5.717 12.984 1.00 0.00 C ATOM 733 O LEU A 46 0.895 -5.370 14.148 1.00 0.00 O ATOM 734 CB LEU A 46 -1.354 -5.616 11.879 1.00 0.00 C ATOM 735 CG LEU A 46 -2.307 -4.890 12.866 1.00 0.00 C ATOM 736 CD1 LEU A 46 -2.637 -3.458 12.370 1.00 0.00 C ATOM 737 CD2 LEU A 46 -3.609 -5.699 12.966 1.00 0.00 C ATOM 0 H LEU A 46 0.234 -5.894 9.988 1.00 0.00 H new ATOM 0 HA LEU A 46 0.002 -3.955 12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.752 -5.544 10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.308 -6.676 12.129 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.820 -4.812 13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.306 -2.972 13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.716 -2.881 12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.121 -3.513 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.293 -5.204 13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.072 -5.766 11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.387 -6.702 13.331 1.00 0.00 H new ATOM 749 N GLU A 47 1.680 -6.698 12.584 1.00 0.00 N ATOM 750 CA GLU A 47 2.549 -7.431 13.554 1.00 0.00 C ATOM 751 C GLU A 47 3.600 -6.483 14.145 1.00 0.00 C ATOM 752 O GLU A 47 3.960 -6.594 15.300 1.00 0.00 O ATOM 753 CB GLU A 47 3.266 -8.579 12.839 1.00 0.00 C ATOM 754 CG GLU A 47 2.260 -9.645 12.392 1.00 0.00 C ATOM 755 CD GLU A 47 1.801 -10.460 13.604 1.00 0.00 C ATOM 756 OE1 GLU A 47 2.651 -11.034 14.263 1.00 0.00 O ATOM 757 OE2 GLU A 47 0.607 -10.496 13.850 1.00 0.00 O ATOM 0 H GLU A 47 1.738 -7.028 11.621 1.00 0.00 H new ATOM 0 HA GLU A 47 1.922 -7.824 14.355 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.807 -8.195 11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.005 -9.025 13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.402 -9.172 11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.716 -10.302 11.651 1.00 0.00 H new ATOM 764 N LYS A 48 4.112 -5.564 13.369 1.00 0.00 N ATOM 765 CA LYS A 48 5.155 -4.631 13.905 1.00 0.00 C ATOM 766 C LYS A 48 4.501 -3.375 14.497 1.00 0.00 C ATOM 767 O LYS A 48 5.004 -2.279 14.354 1.00 0.00 O ATOM 768 CB LYS A 48 6.127 -4.246 12.775 1.00 0.00 C ATOM 769 CG LYS A 48 5.492 -3.206 11.819 1.00 0.00 C ATOM 770 CD LYS A 48 6.036 -3.415 10.396 1.00 0.00 C ATOM 771 CE LYS A 48 5.535 -2.305 9.465 1.00 0.00 C ATOM 772 NZ LYS A 48 5.979 -2.595 8.072 1.00 0.00 N ATOM 0 H LYS A 48 3.857 -5.417 12.392 1.00 0.00 H new ATOM 0 HA LYS A 48 5.707 -5.133 14.700 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.043 -3.839 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.407 -5.137 12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.407 -3.308 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.719 -2.196 12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.126 -3.420 10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.719 -4.387 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.448 -2.242 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.923 -1.339 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.641 -1.844 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.018 -2.634 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.588 -3.509 7.766 1.00 0.00 H new ATOM 786 N VAL A 49 3.390 -3.523 15.176 1.00 0.00 N ATOM 787 CA VAL A 49 2.720 -2.329 15.783 1.00 0.00 C ATOM 788 C VAL A 49 2.030 -2.723 17.095 1.00 0.00 C ATOM 789 O VAL A 49 2.315 -2.175 18.140 1.00 0.00 O ATOM 790 CB VAL A 49 1.673 -1.775 14.811 1.00 0.00 C ATOM 791 CG1 VAL A 49 1.133 -0.447 15.347 1.00 0.00 C ATOM 792 CG2 VAL A 49 2.316 -1.542 13.442 1.00 0.00 C ATOM 0 H VAL A 49 2.919 -4.414 15.336 1.00 0.00 H new ATOM 0 HA VAL A 49 3.474 -1.568 15.985 1.00 0.00 H new ATOM 0 HB VAL A 49 0.857 -2.491 14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.388 -0.052 14.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.674 -0.608 16.323 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.952 0.266 15.444 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.570 -1.148 12.752 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.133 -0.827 13.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.704 -2.485 13.057 1.00 0.00 H new ATOM 802 N TYR A 50 1.118 -3.660 17.052 1.00 0.00 N ATOM 803 CA TYR A 50 0.409 -4.071 18.304 1.00 0.00 C ATOM 804 C TYR A 50 1.233 -5.131 19.047 1.00 0.00 C ATOM 805 O TYR A 50 0.942 -5.467 20.178 1.00 0.00 O ATOM 806 CB TYR A 50 -0.975 -4.639 17.945 1.00 0.00 C ATOM 807 CG TYR A 50 -1.964 -3.504 17.769 1.00 0.00 C ATOM 808 CD1 TYR A 50 -2.665 -3.009 18.878 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.173 -2.941 16.503 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.573 -1.956 18.719 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.080 -1.886 16.347 1.00 0.00 C ATOM 812 CZ TYR A 50 -3.781 -1.394 17.454 1.00 0.00 C ATOM 813 OH TYR A 50 -4.671 -0.351 17.299 1.00 0.00 O ATOM 0 H TYR A 50 0.833 -4.157 16.208 1.00 0.00 H new ATOM 0 HA TYR A 50 0.286 -3.203 18.952 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.912 -5.224 17.028 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.317 -5.313 18.730 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.504 -3.440 19.855 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.634 -3.321 15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.114 -1.577 19.573 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.239 -1.451 15.371 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.568 -0.644 17.566 1.00 0.00 H new ATOM 823 N ASP A 51 2.258 -5.656 18.434 1.00 0.00 N ATOM 824 CA ASP A 51 3.086 -6.682 19.132 1.00 0.00 C ATOM 825 C ASP A 51 2.168 -7.778 19.711 1.00 0.00 C ATOM 826 O ASP A 51 1.742 -7.665 20.843 1.00 0.00 O ATOM 827 CB ASP A 51 3.841 -6.010 20.281 1.00 0.00 C ATOM 828 CG ASP A 51 4.620 -4.807 19.747 1.00 0.00 C ATOM 829 OD1 ASP A 51 5.758 -4.993 19.347 1.00 0.00 O ATOM 830 OD2 ASP A 51 4.064 -3.721 19.744 1.00 0.00 O ATOM 0 H ASP A 51 2.557 -5.422 17.487 1.00 0.00 H new ATOM 0 HA ASP A 51 3.789 -7.127 18.428 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.140 -5.689 21.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.524 -6.721 20.746 1.00 0.00 H new ATOM 835 N PRO A 52 1.872 -8.806 18.934 1.00 0.00 N ATOM 836 CA PRO A 52 0.989 -9.896 19.404 1.00 0.00 C ATOM 837 C PRO A 52 1.620 -10.634 20.594 1.00 0.00 C ATOM 838 O PRO A 52 1.152 -11.679 21.001 1.00 0.00 O ATOM 839 CB PRO A 52 0.830 -10.834 18.184 1.00 0.00 C ATOM 840 CG PRO A 52 1.627 -10.205 17.004 1.00 0.00 C ATOM 841 CD PRO A 52 2.369 -8.969 17.551 1.00 0.00 C ATOM 0 HA PRO A 52 0.027 -9.524 19.756 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.208 -11.830 18.414 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.222 -10.945 17.920 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.334 -10.925 16.592 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.954 -9.921 16.195 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.449 -9.117 17.534 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.160 -8.085 16.949 1.00 0.00 H new ATOM 849 N LYS A 53 2.676 -10.100 21.145 1.00 0.00 N ATOM 850 CA LYS A 53 3.354 -10.759 22.308 1.00 0.00 C ATOM 851 C LYS A 53 3.171 -9.904 23.563 1.00 0.00 C ATOM 852 O LYS A 53 4.016 -9.883 24.435 1.00 0.00 O ATOM 853 CB LYS A 53 4.846 -10.898 22.002 1.00 0.00 C ATOM 854 CG LYS A 53 5.021 -11.709 20.717 1.00 0.00 C ATOM 855 CD LYS A 53 6.507 -11.807 20.368 1.00 0.00 C ATOM 856 CE LYS A 53 6.669 -12.535 19.033 1.00 0.00 C ATOM 857 NZ LYS A 53 8.118 -12.693 18.725 1.00 0.00 N ATOM 0 H LYS A 53 3.105 -9.227 20.839 1.00 0.00 H new ATOM 0 HA LYS A 53 2.917 -11.743 22.477 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.300 -9.913 21.890 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.355 -11.391 22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.601 -12.707 20.845 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.476 -11.236 19.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.944 -10.810 20.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.042 -12.341 21.153 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.188 -13.512 19.079 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.177 -11.974 18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.228 -13.188 17.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.564 -11.756 18.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.575 -13.246 19.478 1.00 0.00 H new ATOM 871 N ASN A 54 2.072 -9.194 23.659 1.00 0.00 N ATOM 872 CA ASN A 54 1.825 -8.330 24.859 1.00 0.00 C ATOM 873 C ASN A 54 0.380 -8.502 25.344 1.00 0.00 C ATOM 874 O ASN A 54 -0.059 -7.820 26.249 1.00 0.00 O ATOM 875 CB ASN A 54 2.059 -6.866 24.483 1.00 0.00 C ATOM 876 CG ASN A 54 1.800 -5.978 25.701 1.00 0.00 C ATOM 877 OD1 ASN A 54 1.505 -4.807 25.563 1.00 0.00 O ATOM 878 ND2 ASN A 54 1.897 -6.489 26.898 1.00 0.00 N ATOM 0 H ASN A 54 1.333 -9.175 22.956 1.00 0.00 H new ATOM 0 HA ASN A 54 2.507 -8.624 25.657 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.081 -6.729 24.131 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.399 -6.580 23.664 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.725 -5.906 27.717 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.145 -7.472 27.015 1.00 0.00 H new ATOM 885 N GLU A 55 -0.367 -9.400 24.757 1.00 0.00 N ATOM 886 CA GLU A 55 -1.777 -9.593 25.199 1.00 0.00 C ATOM 887 C GLU A 55 -2.364 -10.833 24.522 1.00 0.00 C ATOM 888 O GLU A 55 -2.078 -11.120 23.377 1.00 0.00 O ATOM 889 CB GLU A 55 -2.603 -8.363 24.812 1.00 0.00 C ATOM 890 CG GLU A 55 -2.349 -8.021 23.343 1.00 0.00 C ATOM 891 CD GLU A 55 -3.229 -6.838 22.935 1.00 0.00 C ATOM 892 OE1 GLU A 55 -3.036 -5.765 23.481 1.00 0.00 O ATOM 893 OE2 GLU A 55 -4.081 -7.025 22.080 1.00 0.00 O ATOM 0 H GLU A 55 -0.062 -10.005 23.994 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.802 -9.726 26.281 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.663 -8.558 24.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.335 -7.517 25.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.298 -7.775 23.192 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.568 -8.884 22.715 1.00 0.00 H new ATOM 900 N GLU A 56 -3.186 -11.571 25.220 1.00 0.00 N ATOM 901 CA GLU A 56 -3.793 -12.792 24.616 1.00 0.00 C ATOM 902 C GLU A 56 -5.000 -12.392 23.765 1.00 0.00 C ATOM 903 O GLU A 56 -5.723 -13.230 23.263 1.00 0.00 O ATOM 904 CB GLU A 56 -4.244 -13.742 25.727 1.00 0.00 C ATOM 905 CG GLU A 56 -3.075 -14.010 26.680 1.00 0.00 C ATOM 906 CD GLU A 56 -2.859 -12.796 27.586 1.00 0.00 C ATOM 907 OE1 GLU A 56 -3.763 -12.477 28.340 1.00 0.00 O ATOM 908 OE2 GLU A 56 -1.793 -12.207 27.512 1.00 0.00 O ATOM 0 H GLU A 56 -3.463 -11.380 26.183 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.055 -13.293 23.989 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.080 -13.307 26.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.598 -14.679 25.297 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.281 -14.894 27.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.169 -14.217 26.110 1.00 0.00 H new ATOM 915 N ASP A 57 -5.226 -11.118 23.606 1.00 0.00 N ATOM 916 CA ASP A 57 -6.393 -10.659 22.797 1.00 0.00 C ATOM 917 C ASP A 57 -6.343 -11.294 21.404 1.00 0.00 C ATOM 918 O ASP A 57 -7.248 -11.140 20.609 1.00 0.00 O ATOM 919 CB ASP A 57 -6.351 -9.133 22.665 1.00 0.00 C ATOM 920 CG ASP A 57 -7.704 -8.624 22.165 1.00 0.00 C ATOM 921 OD1 ASP A 57 -8.490 -9.438 21.710 1.00 0.00 O ATOM 922 OD2 ASP A 57 -7.930 -7.427 22.245 1.00 0.00 O ATOM 0 H ASP A 57 -4.653 -10.372 24.001 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.316 -10.959 23.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.114 -8.681 23.628 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.562 -8.839 21.973 1.00 0.00 H new ATOM 927 N ASP A 58 -5.295 -12.012 21.103 1.00 0.00 N ATOM 928 CA ASP A 58 -5.196 -12.658 19.764 1.00 0.00 C ATOM 929 C ASP A 58 -5.444 -11.614 18.671 1.00 0.00 C ATOM 930 O ASP A 58 -5.907 -11.931 17.593 1.00 0.00 O ATOM 931 CB ASP A 58 -6.245 -13.766 19.655 1.00 0.00 C ATOM 932 CG ASP A 58 -6.110 -14.717 20.846 1.00 0.00 C ATOM 933 OD1 ASP A 58 -4.988 -14.954 21.265 1.00 0.00 O ATOM 934 OD2 ASP A 58 -7.129 -15.192 21.318 1.00 0.00 O ATOM 0 H ASP A 58 -4.505 -12.179 21.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.200 -13.084 19.640 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.245 -13.333 19.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.115 -14.314 18.722 1.00 0.00 H new ATOM 939 N MET A 59 -5.137 -10.374 18.938 1.00 0.00 N ATOM 940 CA MET A 59 -5.356 -9.314 17.911 1.00 0.00 C ATOM 941 C MET A 59 -6.771 -9.436 17.344 1.00 0.00 C ATOM 942 O MET A 59 -7.094 -8.860 16.324 1.00 0.00 O ATOM 943 CB MET A 59 -4.343 -9.489 16.780 1.00 0.00 C ATOM 944 CG MET A 59 -2.924 -9.483 17.350 1.00 0.00 C ATOM 945 SD MET A 59 -1.739 -9.782 16.016 1.00 0.00 S ATOM 946 CE MET A 59 -1.526 -8.060 15.505 1.00 0.00 C ATOM 0 H MET A 59 -4.744 -10.049 19.821 1.00 0.00 H new ATOM 0 HA MET A 59 -5.231 -8.333 18.369 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.530 -10.425 16.254 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.455 -8.686 16.051 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.716 -8.526 17.828 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.825 -10.251 18.118 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.890 -8.019 14.620 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.499 -7.626 15.273 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.060 -7.496 16.313 1.00 0.00 H new ATOM 956 N ARG A 60 -7.617 -10.187 17.994 1.00 0.00 N ATOM 957 CA ARG A 60 -9.009 -10.353 17.490 1.00 0.00 C ATOM 958 C ARG A 60 -9.776 -9.039 17.647 1.00 0.00 C ATOM 959 O ARG A 60 -10.350 -8.531 16.706 1.00 0.00 O ATOM 960 CB ARG A 60 -9.708 -11.454 18.289 1.00 0.00 C ATOM 961 CG ARG A 60 -11.016 -11.837 17.593 1.00 0.00 C ATOM 962 CD ARG A 60 -11.731 -12.920 18.405 1.00 0.00 C ATOM 963 NE ARG A 60 -12.238 -12.333 19.678 1.00 0.00 N ATOM 964 CZ ARG A 60 -13.125 -12.977 20.384 1.00 0.00 C ATOM 965 NH1 ARG A 60 -13.571 -14.134 19.977 1.00 0.00 N ATOM 966 NH2 ARG A 60 -13.568 -12.464 21.500 1.00 0.00 N ATOM 0 H ARG A 60 -7.404 -10.693 18.853 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.983 -10.627 16.435 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.059 -12.326 18.372 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.910 -11.110 19.303 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.657 -10.961 17.493 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.811 -12.199 16.585 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.558 -13.335 17.829 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.047 -13.741 18.618 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.891 -11.428 19.997 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.226 -14.536 19.105 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.265 -14.636 20.531 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.220 -11.560 21.819 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.262 -12.967 22.053 1.00 0.00 H new ATOM 980 N GLU A 61 -9.805 -8.490 18.830 1.00 0.00 N ATOM 981 CA GLU A 61 -10.549 -7.215 19.040 1.00 0.00 C ATOM 982 C GLU A 61 -9.969 -6.112 18.150 1.00 0.00 C ATOM 983 O GLU A 61 -10.693 -5.324 17.575 1.00 0.00 O ATOM 984 CB GLU A 61 -10.432 -6.797 20.507 1.00 0.00 C ATOM 985 CG GLU A 61 -11.433 -5.677 20.800 1.00 0.00 C ATOM 986 CD GLU A 61 -12.852 -6.250 20.814 1.00 0.00 C ATOM 987 OE1 GLU A 61 -13.092 -7.167 21.582 1.00 0.00 O ATOM 988 OE2 GLU A 61 -13.674 -5.763 20.055 1.00 0.00 O ATOM 0 H GLU A 61 -9.347 -8.868 19.659 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.597 -7.367 18.780 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.625 -7.651 21.156 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.418 -6.458 20.720 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.207 -5.215 21.761 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.352 -4.896 20.044 1.00 0.00 H new ATOM 995 N MET A 62 -8.671 -6.039 18.041 1.00 0.00 N ATOM 996 CA MET A 62 -8.051 -4.975 17.200 1.00 0.00 C ATOM 997 C MET A 62 -8.300 -5.277 15.712 1.00 0.00 C ATOM 998 O MET A 62 -8.044 -4.461 14.851 1.00 0.00 O ATOM 999 CB MET A 62 -6.542 -4.922 17.501 1.00 0.00 C ATOM 1000 CG MET A 62 -5.865 -3.787 16.722 1.00 0.00 C ATOM 1001 SD MET A 62 -6.634 -2.198 17.139 1.00 0.00 S ATOM 1002 CE MET A 62 -6.679 -1.504 15.467 1.00 0.00 C ATOM 0 H MET A 62 -8.012 -6.670 18.498 1.00 0.00 H new ATOM 0 HA MET A 62 -8.496 -4.007 17.430 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.386 -4.778 18.570 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.081 -5.874 17.237 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.801 -3.758 16.958 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.949 -3.970 15.651 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.833 -0.426 15.524 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.735 -1.709 14.962 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.496 -1.958 14.906 1.00 0.00 H new ATOM 1012 N GLU A 63 -8.809 -6.441 15.405 1.00 0.00 N ATOM 1013 CA GLU A 63 -9.076 -6.787 13.976 1.00 0.00 C ATOM 1014 C GLU A 63 -9.870 -5.657 13.302 1.00 0.00 C ATOM 1015 O GLU A 63 -10.079 -5.664 12.105 1.00 0.00 O ATOM 1016 CB GLU A 63 -9.875 -8.098 13.909 1.00 0.00 C ATOM 1017 CG GLU A 63 -11.333 -7.864 14.354 1.00 0.00 C ATOM 1018 CD GLU A 63 -12.172 -7.380 13.165 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -12.308 -8.135 12.216 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -12.664 -6.266 13.227 1.00 0.00 O ATOM 0 H GLU A 63 -9.051 -7.166 16.080 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.128 -6.913 13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.857 -8.490 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.409 -8.848 14.548 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.753 -8.787 14.754 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.363 -7.126 15.156 1.00 0.00 H new ATOM 1027 N GLU A 64 -10.316 -4.689 14.059 1.00 0.00 N ATOM 1028 CA GLU A 64 -11.097 -3.569 13.460 1.00 0.00 C ATOM 1029 C GLU A 64 -10.308 -2.935 12.310 1.00 0.00 C ATOM 1030 O GLU A 64 -10.842 -2.677 11.250 1.00 0.00 O ATOM 1031 CB GLU A 64 -11.367 -2.510 14.531 1.00 0.00 C ATOM 1032 CG GLU A 64 -12.310 -3.084 15.590 1.00 0.00 C ATOM 1033 CD GLU A 64 -12.510 -2.057 16.706 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -12.743 -0.903 16.386 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -12.428 -2.442 17.861 1.00 0.00 O ATOM 0 H GLU A 64 -10.173 -4.626 15.067 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.040 -3.957 13.076 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.430 -2.198 14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.809 -1.623 14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.269 -3.338 15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.896 -4.006 15.999 1.00 0.00 H new ATOM 1042 N GLU A 65 -9.043 -2.680 12.505 1.00 0.00 N ATOM 1043 CA GLU A 65 -8.233 -2.060 11.415 1.00 0.00 C ATOM 1044 C GLU A 65 -8.090 -3.058 10.260 1.00 0.00 C ATOM 1045 O GLU A 65 -7.904 -2.679 9.121 1.00 0.00 O ATOM 1046 CB GLU A 65 -6.836 -1.689 11.957 1.00 0.00 C ATOM 1047 CG GLU A 65 -6.857 -0.270 12.535 1.00 0.00 C ATOM 1048 CD GLU A 65 -5.475 0.075 13.093 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -4.499 -0.412 12.547 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -5.418 0.819 14.058 1.00 0.00 O ATOM 0 H GLU A 65 -8.536 -2.873 13.369 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.730 -1.159 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.535 -2.400 12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.098 -1.754 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.137 0.445 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.607 -0.198 13.323 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.169 -4.326 10.545 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.027 -5.338 9.461 1.00 0.00 C ATOM 1059 C ARG A 66 -9.082 -5.079 8.376 1.00 0.00 C ATOM 1060 O ARG A 66 -8.807 -5.170 7.196 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.211 -6.750 10.065 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.243 -7.740 9.405 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.610 -9.166 9.818 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.555 -9.280 11.303 1.00 0.00 N ATOM 1065 CZ ARG A 66 -8.098 -10.305 11.901 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.683 -11.235 11.197 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -8.055 -10.399 13.201 1.00 0.00 N ATOM 0 H ARG A 66 -8.325 -4.706 11.479 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.038 -5.267 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.034 -6.719 11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.238 -7.084 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.289 -7.641 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.219 -7.516 9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.609 -9.415 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.922 -9.877 9.362 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.092 -8.556 11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.716 -11.160 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.108 -12.037 11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.597 -9.672 13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.479 -11.200 13.669 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.290 -4.766 8.766 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.360 -4.511 7.758 1.00 0.00 C ATOM 1083 C LEU A 67 -11.247 -3.074 7.229 1.00 0.00 C ATOM 1084 O LEU A 67 -11.632 -2.786 6.113 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.741 -4.763 8.410 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.277 -3.487 9.103 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -13.989 -2.558 8.081 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.260 -3.889 10.216 1.00 0.00 C ATOM 0 H LEU A 67 -10.581 -4.676 9.739 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.246 -5.188 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.450 -5.092 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.660 -5.569 9.140 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.436 -2.941 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.357 -1.668 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.284 -2.264 7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.827 -3.089 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.640 -2.993 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.091 -4.446 9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.746 -4.513 10.947 1.00 0.00 H new ATOM 1100 N ARG A 68 -10.735 -2.171 8.020 1.00 0.00 N ATOM 1101 CA ARG A 68 -10.619 -0.759 7.553 1.00 0.00 C ATOM 1102 C ARG A 68 -9.723 -0.699 6.310 1.00 0.00 C ATOM 1103 O ARG A 68 -9.962 0.068 5.400 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.021 0.105 8.680 1.00 0.00 C ATOM 1105 CG ARG A 68 -10.197 1.616 8.378 1.00 0.00 C ATOM 1106 CD ARG A 68 -8.929 2.186 7.727 1.00 0.00 C ATOM 1107 NE ARG A 68 -7.791 2.081 8.684 1.00 0.00 N ATOM 1108 CZ ARG A 68 -6.566 2.237 8.261 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -6.338 2.488 7.002 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -5.571 2.142 9.099 1.00 0.00 N ATOM 0 H ARG A 68 -10.393 -2.348 8.965 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.606 -0.376 7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.505 -0.139 9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.962 -0.125 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.050 1.763 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.413 2.155 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.700 1.640 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.088 3.227 7.446 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.970 1.887 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.117 2.562 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.381 2.610 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.751 1.946 10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.613 2.264 8.770 1.00 0.00 H new ATOM 1124 N MET A 69 -8.695 -1.506 6.260 1.00 0.00 N ATOM 1125 CA MET A 69 -7.790 -1.495 5.069 1.00 0.00 C ATOM 1126 C MET A 69 -8.354 -2.416 3.982 1.00 0.00 C ATOM 1127 O MET A 69 -8.254 -2.131 2.806 1.00 0.00 O ATOM 1128 CB MET A 69 -6.378 -1.971 5.454 1.00 0.00 C ATOM 1129 CG MET A 69 -5.900 -1.276 6.738 1.00 0.00 C ATOM 1130 SD MET A 69 -4.185 -1.753 7.068 1.00 0.00 S ATOM 1131 CE MET A 69 -4.037 -0.963 8.688 1.00 0.00 C ATOM 0 H MET A 69 -8.442 -2.172 6.990 1.00 0.00 H new ATOM 0 HA MET A 69 -7.728 -0.473 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.380 -3.051 5.599 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.684 -1.760 4.641 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.975 -0.194 6.630 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.536 -1.557 7.577 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.230 -1.433 9.250 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.819 0.097 8.557 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.973 -1.076 9.235 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.927 -3.525 4.358 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.473 -4.461 3.334 1.00 0.00 C ATOM 1143 C ARG A 70 -10.587 -3.795 2.514 1.00 0.00 C ATOM 1144 O ARG A 70 -10.678 -3.978 1.316 1.00 0.00 O ATOM 1145 CB ARG A 70 -10.038 -5.698 4.033 1.00 0.00 C ATOM 1146 CG ARG A 70 -10.351 -6.774 2.993 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.872 -8.030 3.699 1.00 0.00 C ATOM 1148 NE ARG A 70 -9.861 -8.498 4.687 1.00 0.00 N ATOM 1149 CZ ARG A 70 -10.197 -9.358 5.609 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -11.421 -9.810 5.665 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -9.312 -9.766 6.476 1.00 0.00 N ATOM 0 H ARG A 70 -9.041 -3.824 5.327 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.665 -4.741 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.320 -6.078 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.941 -5.436 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.095 -6.406 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.455 -7.012 2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.815 -7.813 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.073 -8.814 2.969 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.905 -8.146 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.114 -9.491 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.684 -10.482 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.356 -9.413 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.576 -10.438 7.196 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.455 -3.050 3.149 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.581 -2.410 2.399 1.00 0.00 C ATOM 1167 C GLU A 71 -12.138 -1.088 1.757 1.00 0.00 C ATOM 1168 O GLU A 71 -12.329 -0.873 0.578 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.739 -2.137 3.368 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.467 -3.448 3.685 1.00 0.00 C ATOM 1171 CD GLU A 71 -13.465 -4.479 4.207 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -13.173 -4.446 5.392 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -13.008 -5.286 3.415 1.00 0.00 O ATOM 0 H GLU A 71 -11.435 -2.857 4.150 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.898 -3.088 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.360 -1.689 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.433 -1.421 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.245 -3.273 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.961 -3.827 2.790 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.564 -0.196 2.516 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.138 1.110 1.930 1.00 0.00 C ATOM 1182 C HIS A 72 -10.240 0.873 0.711 1.00 0.00 C ATOM 1183 O HIS A 72 -10.339 1.568 -0.281 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.382 1.930 2.981 1.00 0.00 C ATOM 1185 CG HIS A 72 -11.337 2.369 4.057 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.004 3.340 4.989 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -12.617 1.978 4.363 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -12.064 3.499 5.804 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -13.073 2.692 5.467 1.00 0.00 N ATOM 0 H HIS A 72 -11.372 -0.312 3.511 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.024 1.661 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.579 1.334 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.918 2.799 2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.184 1.230 3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.094 4.195 6.630 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.983 2.615 5.921 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.363 -0.092 0.765 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.473 -0.342 -0.408 1.00 0.00 C ATOM 1199 C VAL A 73 -9.264 -1.035 -1.527 1.00 0.00 C ATOM 1200 O VAL A 73 -9.244 -0.605 -2.663 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.283 -1.216 0.010 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.488 -1.632 -1.231 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.377 -0.421 0.955 1.00 0.00 C ATOM 0 H VAL A 73 -9.223 -0.714 1.562 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.098 0.613 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.649 -2.108 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.644 -2.253 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.133 -2.197 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.121 -0.743 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.531 -1.040 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.013 0.471 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.942 -0.128 1.840 1.00 0.00 H new ATOM 1213 N MET A 74 -9.951 -2.102 -1.226 1.00 0.00 N ATOM 1214 CA MET A 74 -10.725 -2.807 -2.289 1.00 0.00 C ATOM 1215 C MET A 74 -11.891 -1.931 -2.760 1.00 0.00 C ATOM 1216 O MET A 74 -12.499 -2.195 -3.774 1.00 0.00 O ATOM 1217 CB MET A 74 -11.266 -4.136 -1.748 1.00 0.00 C ATOM 1218 CG MET A 74 -10.114 -5.132 -1.547 1.00 0.00 C ATOM 1219 SD MET A 74 -10.786 -6.813 -1.413 1.00 0.00 S ATOM 1220 CE MET A 74 -10.283 -7.424 -3.045 1.00 0.00 C ATOM 0 H MET A 74 -10.011 -2.515 -0.295 1.00 0.00 H new ATOM 0 HA MET A 74 -10.063 -3.004 -3.132 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.782 -3.970 -0.803 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.998 -4.549 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.417 -5.073 -2.383 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.554 -4.880 -0.647 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.294 -8.514 -3.045 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.975 -7.054 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.277 -7.072 -3.271 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.234 -0.906 -2.035 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.377 -0.049 -2.468 1.00 0.00 C ATOM 1232 C LYS A 75 -12.902 1.018 -3.463 1.00 0.00 C ATOM 1233 O LYS A 75 -13.648 1.433 -4.329 1.00 0.00 O ATOM 1234 CB LYS A 75 -13.987 0.639 -1.243 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.231 1.435 -1.669 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.046 1.884 -0.434 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.515 3.209 0.114 1.00 0.00 C ATOM 1238 NZ LYS A 75 -15.514 4.239 -0.963 1.00 0.00 N ATOM 0 H LYS A 75 -11.778 -0.623 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.123 -0.678 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.257 -0.104 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.256 1.305 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.929 2.308 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.855 0.822 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.096 1.992 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.994 1.118 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.134 3.542 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.505 3.074 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.673 5.178 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.596 4.229 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.272 4.030 -1.644 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.683 1.496 -3.327 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.181 2.577 -4.245 1.00 0.00 C ATOM 1254 C ASN A 76 -10.065 2.086 -5.184 1.00 0.00 C ATOM 1255 O ASN A 76 -9.844 2.677 -6.222 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.644 3.736 -3.396 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.356 3.308 -2.688 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -8.607 4.139 -2.212 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -9.066 2.040 -2.596 1.00 0.00 N ATOM 0 H ASN A 76 -11.015 1.185 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.017 2.895 -4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.451 4.603 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.391 4.037 -2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.211 1.745 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.694 1.343 -2.995 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.345 1.039 -4.847 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.237 0.577 -5.761 1.00 0.00 C ATOM 1268 C VAL A 77 -8.734 -0.538 -6.692 1.00 0.00 C ATOM 1269 O VAL A 77 -8.377 -0.574 -7.847 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.033 0.090 -4.935 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.076 -0.712 -5.832 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.281 1.307 -4.373 1.00 0.00 C ATOM 0 H VAL A 77 -9.469 0.491 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.921 1.420 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.388 -0.542 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.226 -1.054 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.601 -1.573 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.722 -0.078 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.427 0.968 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.932 1.931 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.950 1.887 -3.737 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.557 -1.433 -6.228 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.056 -2.495 -7.150 1.00 0.00 C ATOM 1284 C ASP A 78 -10.926 -1.813 -8.206 1.00 0.00 C ATOM 1285 O ASP A 78 -12.045 -1.419 -7.945 1.00 0.00 O ATOM 1286 CB ASP A 78 -10.882 -3.522 -6.374 1.00 0.00 C ATOM 1287 CG ASP A 78 -9.947 -4.484 -5.639 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.030 -4.009 -4.990 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -10.163 -5.680 -5.740 1.00 0.00 O ATOM 0 H ASP A 78 -9.902 -1.479 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.222 -3.018 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.533 -3.016 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.526 -4.076 -7.057 1.00 0.00 H new ATOM 1294 N THR A 79 -10.398 -1.627 -9.386 1.00 0.00 N ATOM 1295 CA THR A 79 -11.166 -0.919 -10.447 1.00 0.00 C ATOM 1296 C THR A 79 -12.159 -1.853 -11.150 1.00 0.00 C ATOM 1297 O THR A 79 -13.331 -1.550 -11.253 1.00 0.00 O ATOM 1298 CB THR A 79 -10.192 -0.321 -11.486 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.136 -1.148 -12.638 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.784 -0.169 -10.878 1.00 0.00 C ATOM 0 H THR A 79 -9.465 -1.936 -9.660 1.00 0.00 H new ATOM 0 HA THR A 79 -11.736 -0.122 -9.969 1.00 0.00 H new ATOM 0 HB THR A 79 -10.557 0.665 -11.775 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.423 -0.636 -13.423 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.110 0.254 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.831 0.493 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.415 -1.146 -10.567 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.706 -2.973 -11.638 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.635 -3.923 -12.349 1.00 0.00 C ATOM 1310 C ASN A 80 -13.039 -5.051 -11.402 1.00 0.00 C ATOM 1311 O ASN A 80 -13.438 -6.116 -11.825 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.951 -4.515 -13.584 1.00 0.00 C ATOM 1313 CG ASN A 80 -12.984 -5.320 -14.390 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -14.139 -5.372 -14.017 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -12.630 -5.958 -15.482 1.00 0.00 N ATOM 0 H ASN A 80 -10.735 -3.280 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.522 -3.374 -12.666 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.530 -3.720 -14.199 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.123 -5.158 -13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.322 -6.491 -16.008 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.663 -5.921 -15.804 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.958 -4.796 -10.125 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.346 -5.807 -9.094 1.00 0.00 C ATOM 1324 C GLN A 81 -13.056 -7.242 -9.555 1.00 0.00 C ATOM 1325 O GLN A 81 -13.779 -8.163 -9.231 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.839 -5.661 -8.774 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.067 -4.403 -7.930 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.632 -4.663 -6.485 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.827 -3.830 -5.621 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.047 -5.789 -6.183 1.00 0.00 N ATOM 0 H GLN A 81 -12.632 -3.909 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.747 -5.620 -8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.414 -5.600 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.193 -6.540 -8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.502 -3.568 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.120 -4.121 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.883 -6.489 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.754 -5.970 -5.223 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.994 -7.443 -10.277 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.645 -8.823 -10.724 1.00 0.00 C ATOM 1341 C ASP A 82 -10.849 -9.476 -9.600 1.00 0.00 C ATOM 1342 O ASP A 82 -10.219 -10.501 -9.771 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.781 -8.756 -11.988 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.587 -10.166 -12.548 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.366 -11.037 -12.191 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.665 -10.353 -13.324 1.00 0.00 O ATOM 0 H ASP A 82 -11.349 -6.713 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.546 -9.394 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.257 -8.119 -12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.814 -8.308 -11.757 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.858 -8.849 -8.457 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.093 -9.359 -7.284 1.00 0.00 C ATOM 1353 C ARG A 83 -8.603 -9.298 -7.618 1.00 0.00 C ATOM 1354 O ARG A 83 -7.755 -9.564 -6.789 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.501 -10.795 -6.941 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.037 -10.917 -6.971 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.479 -12.260 -6.351 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.620 -12.825 -7.139 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.645 -12.086 -7.470 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -14.773 -10.878 -6.993 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.572 -12.576 -8.247 1.00 0.00 N ATOM 0 H ARG A 83 -11.374 -7.987 -8.283 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.311 -8.740 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.057 -11.490 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.124 -11.065 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.485 -10.090 -6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.394 -10.848 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.645 -12.962 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.778 -12.112 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.596 -13.805 -7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.069 -10.504 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.577 -10.308 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.494 -13.532 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.374 -12.003 -8.508 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.287 -8.920 -8.830 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.865 -8.795 -9.262 1.00 0.00 C ATOM 1377 C LEU A 84 -6.647 -7.348 -9.693 1.00 0.00 C ATOM 1378 O LEU A 84 -7.465 -6.768 -10.381 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.592 -9.722 -10.455 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.960 -11.186 -10.102 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.203 -11.974 -11.395 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.825 -11.864 -9.299 1.00 0.00 C ATOM 0 H LEU A 84 -8.970 -8.688 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.196 -9.071 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.171 -9.393 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.540 -9.663 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.862 -11.177 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.462 -13.004 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.021 -11.517 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.299 -11.962 -12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.108 -12.890 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.911 -11.867 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.655 -11.314 -8.374 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.567 -6.754 -9.271 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.292 -5.323 -9.619 1.00 0.00 C ATOM 1396 C VAL A 85 -4.092 -5.240 -10.559 1.00 0.00 C ATOM 1397 O VAL A 85 -3.048 -5.795 -10.279 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.968 -4.569 -8.326 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.531 -3.143 -8.664 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.214 -4.524 -7.439 1.00 0.00 C ATOM 0 H VAL A 85 -4.853 -7.199 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.161 -4.887 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.163 -5.080 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.300 -2.606 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.645 -3.175 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.336 -2.631 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.986 -3.988 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.018 -4.012 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.527 -5.540 -7.199 1.00 0.00 H new ATOM 1410 N THR A 86 -4.217 -4.535 -11.664 1.00 0.00 N ATOM 1411 CA THR A 86 -3.059 -4.405 -12.607 1.00 0.00 C ATOM 1412 C THR A 86 -2.475 -3.001 -12.470 1.00 0.00 C ATOM 1413 O THR A 86 -3.133 -2.092 -12.009 1.00 0.00 O ATOM 1414 CB THR A 86 -3.521 -4.640 -14.041 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.348 -3.563 -14.459 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.303 -5.950 -14.120 1.00 0.00 C ATOM 0 H THR A 86 -5.066 -4.048 -11.950 1.00 0.00 H new ATOM 0 HA THR A 86 -2.300 -5.149 -12.364 1.00 0.00 H new ATOM 0 HB THR A 86 -2.651 -4.700 -14.695 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.642 -3.715 -15.381 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.632 -6.116 -15.146 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.663 -6.775 -13.806 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.172 -5.895 -13.464 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.253 -2.817 -12.870 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.624 -1.468 -12.765 1.00 0.00 C ATOM 1426 C LEU A 87 -1.445 -0.460 -13.573 1.00 0.00 C ATOM 1427 O LEU A 87 -1.551 0.698 -13.223 1.00 0.00 O ATOM 1428 CB LEU A 87 0.800 -1.552 -13.354 1.00 0.00 C ATOM 1429 CG LEU A 87 1.488 -0.149 -13.437 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.357 0.094 -12.200 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.370 -0.072 -14.691 1.00 0.00 C ATOM 0 H LEU A 87 -0.657 -3.543 -13.267 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.587 -1.149 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.407 -2.217 -12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.754 -1.992 -14.350 1.00 0.00 H new ATOM 0 HG LEU A 87 0.710 0.613 -13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.828 1.074 -12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.735 0.056 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.127 -0.675 -12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.845 0.908 -14.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.137 -0.846 -14.645 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.755 -0.223 -15.578 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.986 -0.882 -14.672 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.748 0.059 -15.539 1.00 0.00 C ATOM 1445 C GLU A 88 -3.952 0.663 -14.805 1.00 0.00 C ATOM 1446 O GLU A 88 -3.999 1.851 -14.541 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.240 -0.694 -16.777 1.00 0.00 C ATOM 1448 CG GLU A 88 -2.045 -1.084 -17.649 1.00 0.00 C ATOM 1449 CD GLU A 88 -1.193 -2.123 -16.917 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -1.680 -3.223 -16.715 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -0.068 -1.801 -16.573 1.00 0.00 O ATOM 0 H GLU A 88 -1.936 -1.842 -15.013 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.083 0.876 -15.820 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.791 -1.586 -16.478 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.929 -0.069 -17.345 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.392 -1.488 -18.600 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.445 -0.203 -17.877 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.942 -0.132 -14.506 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.155 0.410 -13.834 1.00 0.00 C ATOM 1460 C GLU A 89 -5.799 0.972 -12.449 1.00 0.00 C ATOM 1461 O GLU A 89 -6.405 1.917 -11.984 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.222 -0.700 -13.710 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.149 -1.638 -14.927 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.160 -0.813 -16.217 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.082 -0.033 -16.390 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.248 -0.977 -17.011 1.00 0.00 O ATOM 0 H GLU A 89 -4.963 -1.134 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.559 1.224 -14.436 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.063 -1.268 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.215 -0.255 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.243 -2.242 -14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.993 -2.327 -14.918 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.829 0.406 -11.785 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.457 0.919 -10.434 1.00 0.00 C ATOM 1475 C PHE A 90 -3.992 2.379 -10.543 1.00 0.00 C ATOM 1476 O PHE A 90 -4.471 3.249 -9.840 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.337 0.041 -9.866 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.538 0.792 -8.812 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.184 1.319 -7.687 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.155 0.967 -8.970 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.450 2.019 -6.722 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.424 1.666 -8.004 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.070 2.191 -6.881 1.00 0.00 C ATOM 0 H PHE A 90 -4.279 -0.386 -12.117 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.319 0.882 -9.768 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.764 -0.862 -9.429 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.675 -0.277 -10.672 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.249 1.185 -7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.655 0.562 -9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.949 2.426 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.641 1.800 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.504 2.730 -6.136 1.00 0.00 H new ATOM 1493 N LEU A 91 -3.066 2.651 -11.419 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.577 4.049 -11.574 1.00 0.00 C ATOM 1495 C LEU A 91 -3.773 4.986 -11.738 1.00 0.00 C ATOM 1496 O LEU A 91 -3.870 6.004 -11.081 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.680 4.136 -12.813 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.319 3.469 -12.523 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.474 3.362 -13.829 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.489 4.292 -11.489 1.00 0.00 C ATOM 0 H LEU A 91 -2.627 1.966 -12.034 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.006 4.341 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.163 3.645 -13.658 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.532 5.179 -13.093 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.494 2.476 -12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.437 2.892 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.084 2.760 -14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.634 4.359 -14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.444 3.802 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.666 5.294 -11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.074 4.360 -10.558 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.688 4.650 -12.609 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.880 5.523 -12.817 1.00 0.00 C ATOM 1514 C ALA A 92 -6.472 5.932 -11.463 1.00 0.00 C ATOM 1515 O ALA A 92 -6.738 7.092 -11.216 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.933 4.756 -13.621 1.00 0.00 C ATOM 0 H ALA A 92 -4.661 3.809 -13.185 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.579 6.419 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.806 5.390 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.516 4.471 -14.587 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.227 3.860 -13.074 1.00 0.00 H new ATOM 1522 N SER A 93 -6.689 4.988 -10.589 1.00 0.00 N ATOM 1523 CA SER A 93 -7.270 5.319 -9.259 1.00 0.00 C ATOM 1524 C SER A 93 -6.393 6.354 -8.551 1.00 0.00 C ATOM 1525 O SER A 93 -6.867 7.126 -7.741 1.00 0.00 O ATOM 1526 CB SER A 93 -7.349 4.051 -8.408 1.00 0.00 C ATOM 1527 OG SER A 93 -7.892 4.374 -7.135 1.00 0.00 O ATOM 0 H SER A 93 -6.488 3.999 -10.740 1.00 0.00 H new ATOM 0 HA SER A 93 -8.270 5.730 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.971 3.305 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.357 3.614 -8.293 1.00 0.00 H new ATOM 0 HG SER A 93 -8.532 3.682 -6.867 1.00 0.00 H new ATOM 1533 N THR A 94 -5.115 6.381 -8.850 1.00 0.00 N ATOM 1534 CA THR A 94 -4.206 7.374 -8.188 1.00 0.00 C ATOM 1535 C THR A 94 -3.976 8.568 -9.120 1.00 0.00 C ATOM 1536 O THR A 94 -3.382 9.555 -8.736 1.00 0.00 O ATOM 1537 CB THR A 94 -2.865 6.708 -7.868 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.156 6.470 -9.075 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.109 5.383 -7.146 1.00 0.00 C ATOM 0 H THR A 94 -4.663 5.761 -9.522 1.00 0.00 H new ATOM 0 HA THR A 94 -4.668 7.723 -7.264 1.00 0.00 H new ATOM 0 HB THR A 94 -2.278 7.364 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.792 6.363 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.153 4.911 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.651 5.568 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.697 4.724 -7.784 1.00 0.00 H new ATOM 1547 N GLN A 95 -4.445 8.497 -10.336 1.00 0.00 N ATOM 1548 CA GLN A 95 -4.252 9.645 -11.270 1.00 0.00 C ATOM 1549 C GLN A 95 -5.041 10.849 -10.745 1.00 0.00 C ATOM 1550 O GLN A 95 -6.132 10.707 -10.231 1.00 0.00 O ATOM 1551 CB GLN A 95 -4.753 9.268 -12.671 1.00 0.00 C ATOM 1552 CG GLN A 95 -3.691 8.433 -13.394 1.00 0.00 C ATOM 1553 CD GLN A 95 -4.182 8.087 -14.801 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -3.714 7.142 -15.404 1.00 0.00 O ATOM 1555 NE2 GLN A 95 -5.113 8.816 -15.353 1.00 0.00 N ATOM 0 H GLN A 95 -4.950 7.700 -10.722 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.193 9.895 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.683 8.704 -12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.972 10.169 -13.244 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.754 8.987 -13.451 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.488 7.520 -12.834 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.506 9.610 -14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.447 8.592 -16.290 1.00 0.00 H new ATOM 1564 N ARG A 96 -4.492 12.028 -10.863 1.00 0.00 N ATOM 1565 CA ARG A 96 -5.202 13.245 -10.368 1.00 0.00 C ATOM 1566 C ARG A 96 -5.555 13.066 -8.886 1.00 0.00 C ATOM 1567 O ARG A 96 -6.210 13.899 -8.295 1.00 0.00 O ATOM 1568 CB ARG A 96 -6.487 13.470 -11.178 1.00 0.00 C ATOM 1569 CG ARG A 96 -6.166 13.545 -12.683 1.00 0.00 C ATOM 1570 CD ARG A 96 -5.704 14.959 -13.057 1.00 0.00 C ATOM 1571 NE ARG A 96 -6.772 15.938 -12.714 1.00 0.00 N ATOM 1572 CZ ARG A 96 -6.498 17.213 -12.664 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -5.285 17.630 -12.907 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -7.436 18.072 -12.368 1.00 0.00 N ATOM 0 H ARG A 96 -3.579 12.202 -11.282 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.550 14.110 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.190 12.659 -10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.971 14.392 -10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.389 12.823 -12.933 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.048 13.277 -13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.785 15.206 -12.525 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.478 15.009 -14.122 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.718 15.612 -12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.551 16.959 -13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.071 18.627 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.383 17.747 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.221 19.068 -12.329 1.00 0.00 H new ATOM 1588 N LYS A 97 -5.138 11.973 -8.296 1.00 0.00 N ATOM 1589 CA LYS A 97 -5.444 11.701 -6.855 1.00 0.00 C ATOM 1590 C LYS A 97 -6.951 11.480 -6.669 1.00 0.00 C ATOM 1591 O LYS A 97 -7.381 10.894 -5.696 1.00 0.00 O ATOM 1592 CB LYS A 97 -4.985 12.870 -5.971 1.00 0.00 C ATOM 1593 CG LYS A 97 -3.569 13.300 -6.365 1.00 0.00 C ATOM 1594 CD LYS A 97 -3.068 14.354 -5.374 1.00 0.00 C ATOM 1595 CE LYS A 97 -1.684 14.842 -5.804 1.00 0.00 C ATOM 1596 NZ LYS A 97 -1.196 15.865 -4.836 1.00 0.00 N ATOM 0 H LYS A 97 -4.591 11.247 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.905 10.802 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.672 13.709 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.005 12.574 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.902 12.438 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.568 13.705 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.764 15.192 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.021 13.931 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.988 14.004 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.732 15.268 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.241 16.173 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.838 16.683 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.168 15.454 -3.881 1.00 0.00 H new ATOM 1610 N GLU A 98 -7.756 11.937 -7.590 1.00 0.00 N ATOM 1611 CA GLU A 98 -9.227 11.741 -7.458 1.00 0.00 C ATOM 1612 C GLU A 98 -9.688 12.200 -6.072 1.00 0.00 C ATOM 1613 O GLU A 98 -10.158 11.413 -5.273 1.00 0.00 O ATOM 1614 CB GLU A 98 -9.560 10.259 -7.641 1.00 0.00 C ATOM 1615 CG GLU A 98 -11.073 10.092 -7.809 1.00 0.00 C ATOM 1616 CD GLU A 98 -11.499 10.631 -9.175 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -10.717 10.518 -10.104 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -12.600 11.146 -9.269 1.00 0.00 O ATOM 0 H GLU A 98 -7.458 12.437 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.739 12.328 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.041 9.864 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.214 9.689 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.345 9.040 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.598 10.625 -7.016 1.00 0.00 H new ATOM 1625 N PHE A 99 -9.558 13.464 -5.778 1.00 0.00 N ATOM 1626 CA PHE A 99 -9.991 13.966 -4.443 1.00 0.00 C ATOM 1627 C PHE A 99 -9.957 15.496 -4.437 1.00 0.00 C ATOM 1628 O PHE A 99 -8.869 16.044 -4.480 1.00 0.00 O ATOM 1629 CB PHE A 99 -9.047 13.430 -3.366 1.00 0.00 C ATOM 1630 CG PHE A 99 -9.553 13.841 -2.001 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -10.503 13.051 -1.339 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -9.075 15.011 -1.396 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -10.972 13.431 -0.075 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -9.545 15.390 -0.134 1.00 0.00 C ATOM 1635 CZ PHE A 99 -10.493 14.600 0.527 1.00 0.00 C ATOM 1636 OXT PHE A 99 -11.021 16.092 -4.388 1.00 0.00 O ATOM 0 H PHE A 99 -9.171 14.171 -6.403 1.00 0.00 H new ATOM 0 HA PHE A 99 -11.006 13.625 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.984 12.344 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.040 13.817 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.873 12.149 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.343 15.621 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.703 12.822 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.176 16.293 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.855 14.893 1.502 1.00 0.00 H new TER 1646 PHE A 99