USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 781 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 29 LYS NZ :NH3+ -171:sc= 0.568 (180deg=0.167) USER MOD Set 1.2: A 99 MET CE :methyl 165:sc= -0.472 (180deg=-0.546) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -3.19! C(o=-3.2!,f=-3.7!) USER MOD Single : A 26 GLN : amide:sc= 0.222 K(o=0.22,f=-9.2!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0835 (180deg=-0.435) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 40 SER OG : rot -18:sc= -0.0926! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0632 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0801 K(o=-0.08,f=-6!) USER MOD Single : A 64 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.84) USER MOD Single : A 85 LYS NZ :NH3+ -115:sc= -6.49! (180deg=-10.4!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.445 USER MOD Single : A 87 GLN : amide:sc= -3.87! C(o=-3.9!,f=-7.3!) USER MOD Single : A 92 SER OG : rot 89:sc= 0.07 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 57:sc= 0.111! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 104 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -8.318 -17.389 -7.530 1.00 0.00 N ATOM 2 CA LYS A 17 -7.841 -16.013 -7.597 1.00 0.00 C ATOM 3 C LYS A 17 -9.009 -15.033 -7.630 1.00 0.00 C ATOM 4 O LYS A 17 -10.168 -15.428 -7.500 1.00 0.00 O ATOM 5 CB LYS A 17 -6.958 -15.818 -8.833 1.00 0.00 C ATOM 6 CG LYS A 17 -5.475 -15.735 -8.513 1.00 0.00 C ATOM 7 CD LYS A 17 -5.106 -14.379 -7.933 1.00 0.00 C ATOM 8 CE LYS A 17 -5.038 -13.311 -9.013 1.00 0.00 C ATOM 9 NZ LYS A 17 -4.873 -11.947 -8.437 1.00 0.00 N ATOM 0 HA LYS A 17 -7.251 -15.814 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.127 -16.644 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.262 -14.906 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.210 -16.520 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.896 -15.915 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.841 -14.091 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.143 -14.448 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.205 -13.525 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.947 -13.344 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.831 -11.248 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.680 -11.732 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.993 -11.907 -7.885 1.00 0.00 H new ATOM 23 N ARG A 18 -8.696 -13.753 -7.804 1.00 0.00 N ATOM 24 CA ARG A 18 -9.720 -12.715 -7.855 1.00 0.00 C ATOM 25 C ARG A 18 -9.495 -11.785 -9.042 1.00 0.00 C ATOM 26 O ARG A 18 -8.358 -11.456 -9.378 1.00 0.00 O ATOM 27 CB ARG A 18 -9.724 -11.910 -6.555 1.00 0.00 C ATOM 28 CG ARG A 18 -10.599 -12.513 -5.467 1.00 0.00 C ATOM 29 CD ARG A 18 -12.074 -12.372 -5.797 1.00 0.00 C ATOM 30 NE ARG A 18 -12.889 -13.364 -5.101 1.00 0.00 N ATOM 31 CZ ARG A 18 -14.127 -13.695 -5.462 1.00 0.00 C ATOM 32 NH1 ARG A 18 -14.696 -13.112 -6.510 1.00 0.00 N ATOM 33 NH2 ARG A 18 -14.798 -14.609 -4.775 1.00 0.00 N ATOM 0 H ARG A 18 -7.742 -13.409 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.688 -13.201 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.702 -11.829 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.067 -10.897 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.352 -13.567 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.389 -12.022 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.412 -11.372 -5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.216 -12.477 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.485 -13.832 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.185 -12.408 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.645 -13.368 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.366 -15.060 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.746 -14.861 -5.053 1.00 0.00 H new ATOM 47 N VAL A 19 -10.586 -11.366 -9.675 1.00 0.00 N ATOM 48 CA VAL A 19 -10.506 -10.473 -10.825 1.00 0.00 C ATOM 49 C VAL A 19 -10.313 -9.027 -10.384 1.00 0.00 C ATOM 50 O VAL A 19 -10.607 -8.667 -9.245 1.00 0.00 O ATOM 51 CB VAL A 19 -11.766 -10.582 -11.715 1.00 0.00 C ATOM 52 CG1 VAL A 19 -13.029 -10.550 -10.870 1.00 0.00 C ATOM 53 CG2 VAL A 19 -11.802 -9.485 -12.773 1.00 0.00 C ATOM 0 H VAL A 19 -11.535 -11.630 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.640 -10.783 -11.410 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.719 -11.540 -12.232 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.902 -10.628 -11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.020 -11.386 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.072 -9.613 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.701 -9.594 -13.379 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.808 -8.510 -12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.922 -9.566 -13.411 1.00 0.00 H new ATOM 63 N GLY A 20 -9.817 -8.210 -11.301 1.00 0.00 N ATOM 64 CA GLY A 20 -9.588 -6.809 -11.003 1.00 0.00 C ATOM 65 C GLY A 20 -8.675 -6.139 -12.012 1.00 0.00 C ATOM 66 O GLY A 20 -8.783 -6.382 -13.214 1.00 0.00 O ATOM 0 H GLY A 20 -9.568 -8.492 -12.249 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.544 -6.285 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.151 -6.720 -10.008 1.00 0.00 H new ATOM 70 N LYS A 21 -7.775 -5.293 -11.521 1.00 0.00 N ATOM 71 CA LYS A 21 -6.839 -4.584 -12.385 1.00 0.00 C ATOM 72 C LYS A 21 -5.838 -3.784 -11.557 1.00 0.00 C ATOM 73 O LYS A 21 -5.986 -3.658 -10.341 1.00 0.00 O ATOM 74 CB LYS A 21 -7.589 -3.652 -13.345 1.00 0.00 C ATOM 75 CG LYS A 21 -8.822 -2.997 -12.742 1.00 0.00 C ATOM 76 CD LYS A 21 -8.488 -1.657 -12.109 1.00 0.00 C ATOM 77 CE LYS A 21 -9.551 -0.616 -12.419 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.547 -0.492 -11.318 1.00 0.00 N ATOM 0 H LYS A 21 -7.674 -5.082 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.294 -5.325 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.907 -2.873 -13.684 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.887 -4.220 -14.226 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.576 -2.857 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.255 -3.657 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.397 -1.776 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.521 -1.311 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.075 0.350 -12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.063 -0.885 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.254 0.228 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.020 -1.407 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.063 -0.211 -10.442 1.00 0.00 H new ATOM 92 N ARG A 22 -4.819 -3.246 -12.221 1.00 0.00 N ATOM 93 CA ARG A 22 -3.794 -2.462 -11.536 1.00 0.00 C ATOM 94 C ARG A 22 -3.719 -1.046 -12.094 1.00 0.00 C ATOM 95 O ARG A 22 -3.924 -0.825 -13.288 1.00 0.00 O ATOM 96 CB ARG A 22 -2.430 -3.144 -11.653 1.00 0.00 C ATOM 97 CG ARG A 22 -2.002 -3.418 -13.086 1.00 0.00 C ATOM 98 CD ARG A 22 -1.287 -4.756 -13.208 1.00 0.00 C ATOM 99 NE ARG A 22 -2.041 -5.709 -14.018 1.00 0.00 N ATOM 100 CZ ARG A 22 -2.057 -5.703 -15.349 1.00 0.00 C ATOM 101 NH1 ARG A 22 -1.362 -4.794 -16.024 1.00 0.00 N ATOM 102 NH2 ARG A 22 -2.768 -6.607 -16.007 1.00 0.00 N ATOM 0 H ARG A 22 -4.680 -3.337 -13.227 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.070 -2.400 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.678 -2.517 -11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.457 -4.086 -11.105 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.877 -3.411 -13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.344 -2.620 -13.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.303 -4.602 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.126 -5.173 -12.214 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.588 -6.422 -13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.813 -4.096 -15.522 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.378 -4.794 -17.044 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.303 -7.307 -15.494 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.780 -6.602 -17.027 1.00 0.00 H new ATOM 116 N LEU A 23 -3.425 -0.088 -11.219 1.00 0.00 N ATOM 117 CA LEU A 23 -3.324 1.311 -11.624 1.00 0.00 C ATOM 118 C LEU A 23 -2.075 1.964 -11.038 1.00 0.00 C ATOM 119 O LEU A 23 -1.554 1.524 -10.012 1.00 0.00 O ATOM 120 CB LEU A 23 -4.568 2.102 -11.192 1.00 0.00 C ATOM 121 CG LEU A 23 -5.713 1.271 -10.609 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.402 2.025 -9.482 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.710 0.905 -11.697 1.00 0.00 C ATOM 0 H LEU A 23 -3.253 -0.254 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.254 1.329 -12.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.266 2.842 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.945 2.651 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.297 0.351 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.213 1.418 -9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.682 2.236 -8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.806 2.962 -9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.518 0.314 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.120 1.815 -12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.208 0.323 -12.470 1.00 0.00 H new ATOM 135 N ASN A 24 -1.608 3.023 -11.690 1.00 0.00 N ATOM 136 CA ASN A 24 -0.430 3.751 -11.233 1.00 0.00 C ATOM 137 C ASN A 24 -0.846 5.055 -10.561 1.00 0.00 C ATOM 138 O ASN A 24 -1.550 5.870 -11.155 1.00 0.00 O ATOM 139 CB ASN A 24 0.509 4.039 -12.405 1.00 0.00 C ATOM 140 CG ASN A 24 1.613 3.007 -12.530 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.640 2.221 -13.476 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.532 3.005 -11.570 1.00 0.00 N ATOM 0 H ASN A 24 -2.029 3.398 -12.540 1.00 0.00 H new ATOM 0 HA ASN A 24 0.100 3.133 -10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.067 4.065 -13.330 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.952 5.027 -12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.299 2.333 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.470 3.675 -10.804 1.00 0.00 H new ATOM 149 N ILE A 25 -0.420 5.243 -9.315 1.00 0.00 N ATOM 150 CA ILE A 25 -0.771 6.447 -8.570 1.00 0.00 C ATOM 151 C ILE A 25 0.460 7.137 -7.991 1.00 0.00 C ATOM 152 O ILE A 25 1.269 6.516 -7.302 1.00 0.00 O ATOM 153 CB ILE A 25 -1.756 6.120 -7.429 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.009 5.452 -7.994 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.125 7.379 -6.655 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.586 4.382 -7.094 1.00 0.00 C ATOM 0 H ILE A 25 0.165 4.582 -8.803 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.246 7.127 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.270 5.430 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.768 6.214 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.770 5.010 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.821 7.124 -5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.225 7.819 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.594 8.096 -7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.473 3.953 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.844 3.599 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.858 4.821 -6.134 1.00 0.00 H new ATOM 168 N GLN A 26 0.582 8.432 -8.268 1.00 0.00 N ATOM 169 CA GLN A 26 1.700 9.226 -7.770 1.00 0.00 C ATOM 170 C GLN A 26 1.222 10.166 -6.669 1.00 0.00 C ATOM 171 O GLN A 26 0.293 10.949 -6.874 1.00 0.00 O ATOM 172 CB GLN A 26 2.338 10.031 -8.905 1.00 0.00 C ATOM 173 CG GLN A 26 2.352 9.304 -10.242 1.00 0.00 C ATOM 174 CD GLN A 26 1.184 9.694 -11.128 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.039 9.325 -10.863 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.468 10.444 -12.186 1.00 0.00 N ATOM 0 H GLN A 26 -0.083 8.955 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 26 2.450 8.549 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.798 10.971 -9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.362 10.283 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.286 9.522 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.328 8.228 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.431 10.727 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.723 10.738 -12.818 1.00 0.00 H new ATOM 185 N LEU A 27 1.844 10.081 -5.500 1.00 0.00 N ATOM 186 CA LEU A 27 1.457 10.923 -4.373 1.00 0.00 C ATOM 187 C LEU A 27 2.538 11.933 -4.022 1.00 0.00 C ATOM 188 O LEU A 27 3.686 11.574 -3.763 1.00 0.00 O ATOM 189 CB LEU A 27 1.142 10.060 -3.155 1.00 0.00 C ATOM 190 CG LEU A 27 0.058 9.012 -3.382 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.059 8.091 -2.178 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.274 9.683 -3.679 1.00 0.00 C ATOM 0 H LEU A 27 2.615 9.441 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 27 0.566 11.477 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.055 9.556 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.835 10.710 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 27 0.338 8.407 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.838 7.351 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.892 7.584 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.315 8.677 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.037 8.922 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.560 10.313 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.181 10.297 -4.575 1.00 0.00 H new ATOM 204 N LYS A 28 2.152 13.202 -4.001 1.00 0.00 N ATOM 205 CA LYS A 28 3.073 14.280 -3.669 1.00 0.00 C ATOM 206 C LYS A 28 3.271 14.368 -2.159 1.00 0.00 C ATOM 207 O LYS A 28 2.333 14.657 -1.417 1.00 0.00 O ATOM 208 CB LYS A 28 2.546 15.613 -4.201 1.00 0.00 C ATOM 209 CG LYS A 28 3.547 16.751 -4.077 1.00 0.00 C ATOM 210 CD LYS A 28 4.870 16.398 -4.731 1.00 0.00 C ATOM 211 CE LYS A 28 5.837 17.569 -4.706 1.00 0.00 C ATOM 212 NZ LYS A 28 5.267 18.776 -5.366 1.00 0.00 N ATOM 0 H LYS A 28 1.203 13.510 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 28 4.033 14.066 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.270 15.494 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.637 15.878 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.138 17.649 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.710 16.981 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.315 15.547 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.696 16.091 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.092 17.807 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.763 17.285 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.027 19.460 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.817 18.501 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.558 19.211 -4.741 1.00 0.00 H new ATOM 226 N LYS A 29 4.497 14.118 -1.711 1.00 0.00 N ATOM 227 CA LYS A 29 4.815 14.170 -0.288 1.00 0.00 C ATOM 228 C LYS A 29 4.362 15.493 0.327 1.00 0.00 C ATOM 229 O LYS A 29 4.646 16.568 -0.206 1.00 0.00 O ATOM 230 CB LYS A 29 6.318 13.978 -0.073 1.00 0.00 C ATOM 231 CG LYS A 29 6.760 14.183 1.367 1.00 0.00 C ATOM 232 CD LYS A 29 7.471 12.959 1.919 1.00 0.00 C ATOM 233 CE LYS A 29 7.489 12.967 3.439 1.00 0.00 C ATOM 234 NZ LYS A 29 8.839 13.282 3.979 1.00 0.00 N ATOM 0 H LYS A 29 5.286 13.878 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 29 4.278 13.361 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.596 12.973 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.860 14.675 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.424 15.046 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.891 14.408 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.973 12.056 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.493 12.929 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.771 13.701 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.168 11.994 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.846 13.129 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.545 12.663 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.071 14.275 3.776 1.00 0.00 H new ATOM 248 N GLY A 30 3.655 15.408 1.449 1.00 0.00 N ATOM 249 CA GLY A 30 3.172 16.601 2.117 1.00 0.00 C ATOM 250 C GLY A 30 3.728 16.747 3.521 1.00 0.00 C ATOM 251 O GLY A 30 4.938 16.879 3.706 1.00 0.00 O ATOM 0 H GLY A 30 3.408 14.531 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.444 17.478 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.083 16.573 2.162 1.00 0.00 H new ATOM 255 N THR A 31 2.842 16.725 4.512 1.00 0.00 N ATOM 256 CA THR A 31 3.251 16.857 5.906 1.00 0.00 C ATOM 257 C THR A 31 2.844 15.628 6.713 1.00 0.00 C ATOM 258 O THR A 31 3.678 14.994 7.360 1.00 0.00 O ATOM 259 CB THR A 31 2.632 18.112 6.523 1.00 0.00 C ATOM 260 OG1 THR A 31 1.362 18.375 5.957 1.00 0.00 O ATOM 261 CG2 THR A 31 3.483 19.350 6.340 1.00 0.00 C ATOM 0 H THR A 31 1.837 16.617 4.376 1.00 0.00 H new ATOM 0 HA THR A 31 4.337 16.943 5.932 1.00 0.00 H new ATOM 0 HB THR A 31 2.552 17.901 7.589 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.982 19.180 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.987 20.204 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.454 19.197 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.622 19.542 5.276 1.00 0.00 H new ATOM 269 N GLU A 32 1.557 15.297 6.672 1.00 0.00 N ATOM 270 CA GLU A 32 1.039 14.145 7.402 1.00 0.00 C ATOM 271 C GLU A 32 1.216 12.865 6.588 1.00 0.00 C ATOM 272 O GLU A 32 0.247 12.161 6.300 1.00 0.00 O ATOM 273 CB GLU A 32 -0.439 14.351 7.739 1.00 0.00 C ATOM 274 CG GLU A 32 -0.685 15.487 8.720 1.00 0.00 C ATOM 275 CD GLU A 32 -0.403 15.089 10.155 1.00 0.00 C ATOM 276 OE1 GLU A 32 -0.616 13.906 10.497 1.00 0.00 O ATOM 277 OE2 GLU A 32 0.031 15.959 10.938 1.00 0.00 O ATOM 0 H GLU A 32 0.854 15.810 6.141 1.00 0.00 H new ATOM 0 HA GLU A 32 1.604 14.047 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.989 14.550 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.840 13.428 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.056 16.336 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.720 15.818 8.635 1.00 0.00 H new ATOM 284 N GLY A 33 2.458 12.571 6.223 1.00 0.00 N ATOM 285 CA GLY A 33 2.739 11.377 5.448 1.00 0.00 C ATOM 286 C GLY A 33 2.053 11.391 4.097 1.00 0.00 C ATOM 287 O GLY A 33 2.362 12.224 3.245 1.00 0.00 O ATOM 0 H GLY A 33 3.275 13.138 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.816 11.285 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.416 10.499 6.008 1.00 0.00 H new ATOM 291 N LEU A 34 1.118 10.467 3.900 1.00 0.00 N ATOM 292 CA LEU A 34 0.387 10.379 2.641 1.00 0.00 C ATOM 293 C LEU A 34 -1.088 10.051 2.877 1.00 0.00 C ATOM 294 O LEU A 34 -1.803 9.670 1.949 1.00 0.00 O ATOM 295 CB LEU A 34 1.027 9.329 1.734 1.00 0.00 C ATOM 296 CG LEU A 34 2.445 9.666 1.266 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.476 9.001 2.163 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.645 9.250 -0.183 1.00 0.00 C ATOM 0 H LEU A 34 0.849 9.770 4.594 1.00 0.00 H new ATOM 0 HA LEU A 34 0.438 11.351 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.051 8.377 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.393 9.191 0.858 1.00 0.00 H new ATOM 0 HG LEU A 34 2.580 10.746 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.478 9.252 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.349 9.353 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.342 7.920 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.659 9.498 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.489 8.175 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.931 9.778 -0.815 1.00 0.00 H new ATOM 310 N GLY A 35 -1.540 10.218 4.116 1.00 0.00 N ATOM 311 CA GLY A 35 -2.928 9.953 4.450 1.00 0.00 C ATOM 312 C GLY A 35 -3.378 8.552 4.095 1.00 0.00 C ATOM 313 O GLY A 35 -4.563 8.323 3.847 1.00 0.00 O ATOM 0 H GLY A 35 -0.967 10.534 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.073 10.113 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.562 10.672 3.931 1.00 0.00 H new ATOM 317 N PHE A 36 -2.446 7.606 4.071 1.00 0.00 N ATOM 318 CA PHE A 36 -2.785 6.228 3.745 1.00 0.00 C ATOM 319 C PHE A 36 -1.948 5.242 4.556 1.00 0.00 C ATOM 320 O PHE A 36 -0.720 5.318 4.573 1.00 0.00 O ATOM 321 CB PHE A 36 -2.610 5.974 2.241 1.00 0.00 C ATOM 322 CG PHE A 36 -1.199 5.654 1.828 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.686 4.377 1.996 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.390 6.629 1.268 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.609 4.079 1.616 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.905 6.336 0.883 1.00 0.00 C ATOM 327 CZ PHE A 36 1.405 5.059 1.058 1.00 0.00 C ATOM 0 H PHE A 36 -1.459 7.767 4.272 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.831 6.070 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.259 5.149 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.945 6.855 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.306 3.606 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.775 7.629 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.998 3.081 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.526 7.104 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.417 4.829 0.759 1.00 0.00 H new ATOM 337 N SER A 37 -2.626 4.309 5.216 1.00 0.00 N ATOM 338 CA SER A 37 -1.954 3.296 6.018 1.00 0.00 C ATOM 339 C SER A 37 -2.034 1.943 5.324 1.00 0.00 C ATOM 340 O SER A 37 -3.090 1.554 4.825 1.00 0.00 O ATOM 341 CB SER A 37 -2.585 3.212 7.410 1.00 0.00 C ATOM 342 OG SER A 37 -2.448 4.438 8.108 1.00 0.00 O ATOM 0 H SER A 37 -3.643 4.234 5.210 1.00 0.00 H new ATOM 0 HA SER A 37 -0.906 3.576 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.641 2.958 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.112 2.411 7.979 1.00 0.00 H new ATOM 0 HG SER A 37 -2.861 4.358 8.993 1.00 0.00 H new ATOM 348 N ILE A 38 -0.915 1.229 5.280 1.00 0.00 N ATOM 349 CA ILE A 38 -0.880 -0.072 4.626 1.00 0.00 C ATOM 350 C ILE A 38 -0.632 -1.201 5.613 1.00 0.00 C ATOM 351 O ILE A 38 0.186 -1.086 6.525 1.00 0.00 O ATOM 352 CB ILE A 38 0.203 -0.132 3.538 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.545 0.335 4.098 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.208 0.707 2.339 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.695 0.175 3.129 1.00 0.00 C ATOM 0 H ILE A 38 -0.028 1.526 5.686 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.862 -0.202 4.172 1.00 0.00 H new ATOM 0 HB ILE A 38 0.314 -1.165 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.465 1.384 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.765 -0.226 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.568 0.656 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.144 0.325 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.344 1.743 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.615 0.527 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.802 -0.876 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.497 0.759 2.230 1.00 0.00 H new ATOM 367 N THR A 39 -1.339 -2.300 5.399 1.00 0.00 N ATOM 368 CA THR A 39 -1.202 -3.483 6.243 1.00 0.00 C ATOM 369 C THR A 39 -0.358 -4.538 5.542 1.00 0.00 C ATOM 370 O THR A 39 -0.091 -4.438 4.345 1.00 0.00 O ATOM 371 CB THR A 39 -2.573 -4.062 6.591 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.447 -5.386 7.083 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.527 -4.100 5.418 1.00 0.00 C ATOM 0 H THR A 39 -2.018 -2.400 4.644 1.00 0.00 H new ATOM 0 HA THR A 39 -0.705 -3.185 7.166 1.00 0.00 H new ATOM 0 HB THR A 39 -2.983 -3.393 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.334 -5.739 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.480 -4.522 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.685 -3.088 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.104 -4.717 4.625 1.00 0.00 H new ATOM 381 N SER A 40 0.064 -5.546 6.295 1.00 0.00 N ATOM 382 CA SER A 40 0.884 -6.618 5.741 1.00 0.00 C ATOM 383 C SER A 40 0.192 -7.972 5.881 1.00 0.00 C ATOM 384 O SER A 40 -0.173 -8.382 6.982 1.00 0.00 O ATOM 385 CB SER A 40 2.248 -6.649 6.437 1.00 0.00 C ATOM 386 OG SER A 40 2.257 -7.568 7.517 1.00 0.00 O ATOM 0 H SER A 40 -0.147 -5.644 7.288 1.00 0.00 H new ATOM 0 HA SER A 40 1.027 -6.420 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.019 -6.923 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.494 -5.652 6.803 1.00 0.00 H new ATOM 0 HG SER A 40 1.335 -7.779 7.775 1.00 0.00 H new ATOM 392 N ARG A 41 0.020 -8.662 4.757 1.00 0.00 N ATOM 393 CA ARG A 41 -0.622 -9.971 4.758 1.00 0.00 C ATOM 394 C ARG A 41 0.238 -10.987 5.502 1.00 0.00 C ATOM 395 O ARG A 41 -0.276 -11.873 6.186 1.00 0.00 O ATOM 396 CB ARG A 41 -0.870 -10.444 3.324 1.00 0.00 C ATOM 397 CG ARG A 41 -1.976 -11.481 3.208 1.00 0.00 C ATOM 398 CD ARG A 41 -1.415 -12.894 3.167 1.00 0.00 C ATOM 399 NE ARG A 41 -2.074 -13.774 4.130 1.00 0.00 N ATOM 400 CZ ARG A 41 -1.738 -15.047 4.320 1.00 0.00 C ATOM 401 NH1 ARG A 41 -0.755 -15.595 3.617 1.00 0.00 N ATOM 402 NH2 ARG A 41 -2.388 -15.777 5.217 1.00 0.00 N ATOM 0 H ARG A 41 0.316 -8.337 3.837 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.580 -9.883 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.124 -9.583 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.053 -10.863 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.657 -11.384 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.558 -11.294 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.534 -13.302 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.345 -12.865 3.375 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.836 -13.390 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.251 -15.039 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.503 -16.572 3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.145 -15.362 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.131 -16.753 5.363 1.00 0.00 H new ATOM 416 N ASP A 42 1.553 -10.845 5.368 1.00 0.00 N ATOM 417 CA ASP A 42 2.496 -11.738 6.028 1.00 0.00 C ATOM 418 C ASP A 42 2.291 -13.187 5.593 1.00 0.00 C ATOM 419 O ASP A 42 1.823 -14.020 6.370 1.00 0.00 O ATOM 420 CB ASP A 42 2.357 -11.626 7.549 1.00 0.00 C ATOM 421 CG ASP A 42 3.131 -10.452 8.115 1.00 0.00 C ATOM 422 OD1 ASP A 42 4.331 -10.322 7.793 1.00 0.00 O ATOM 423 OD2 ASP A 42 2.537 -9.663 8.880 1.00 0.00 O ATOM 0 H ASP A 42 1.990 -10.116 4.805 1.00 0.00 H new ATOM 0 HA ASP A 42 3.501 -11.435 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.303 -11.522 7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.710 -12.547 8.012 1.00 0.00 H new ATOM 428 N VAL A 43 2.650 -13.483 4.347 1.00 0.00 N ATOM 429 CA VAL A 43 2.513 -14.834 3.817 1.00 0.00 C ATOM 430 C VAL A 43 3.515 -15.772 4.474 1.00 0.00 C ATOM 431 O VAL A 43 3.159 -16.855 4.937 1.00 0.00 O ATOM 432 CB VAL A 43 2.719 -14.868 2.290 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.490 -16.271 1.745 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.800 -13.868 1.606 1.00 0.00 C ATOM 0 H VAL A 43 3.037 -12.807 3.688 1.00 0.00 H new ATOM 0 HA VAL A 43 1.499 -15.164 4.041 1.00 0.00 H new ATOM 0 HB VAL A 43 3.751 -14.587 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.641 -16.271 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.194 -16.961 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.471 -16.587 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.959 -13.906 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.762 -14.116 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.019 -12.864 1.970 1.00 0.00 H new ATOM 444 N THR A 44 4.772 -15.347 4.510 1.00 0.00 N ATOM 445 CA THR A 44 5.829 -16.148 5.111 1.00 0.00 C ATOM 446 C THR A 44 6.853 -15.270 5.821 1.00 0.00 C ATOM 447 O THR A 44 6.928 -14.065 5.586 1.00 0.00 O ATOM 448 CB THR A 44 6.522 -17.003 4.050 1.00 0.00 C ATOM 449 OG1 THR A 44 7.780 -17.459 4.515 1.00 0.00 O ATOM 450 CG2 THR A 44 6.752 -16.274 2.742 1.00 0.00 C ATOM 0 H THR A 44 5.083 -14.453 4.130 1.00 0.00 H new ATOM 0 HA THR A 44 5.368 -16.802 5.851 1.00 0.00 H new ATOM 0 HB THR A 44 5.843 -17.835 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.206 -18.006 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.247 -16.941 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.795 -15.956 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.380 -15.401 2.918 1.00 0.00 H new ATOM 458 N ILE A 45 7.638 -15.891 6.693 1.00 0.00 N ATOM 459 CA ILE A 45 8.661 -15.186 7.448 1.00 0.00 C ATOM 460 C ILE A 45 9.700 -14.547 6.534 1.00 0.00 C ATOM 461 O ILE A 45 10.188 -13.449 6.802 1.00 0.00 O ATOM 462 CB ILE A 45 9.357 -16.134 8.426 1.00 0.00 C ATOM 463 CG1 ILE A 45 8.312 -16.830 9.291 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.354 -15.376 9.292 1.00 0.00 C ATOM 465 CD1 ILE A 45 7.147 -15.946 9.693 1.00 0.00 C ATOM 0 H ILE A 45 7.583 -16.889 6.894 1.00 0.00 H new ATOM 0 HA ILE A 45 8.160 -14.393 8.003 1.00 0.00 H new ATOM 0 HB ILE A 45 9.909 -16.885 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.927 -17.695 8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.795 -17.207 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.838 -16.069 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.107 -14.910 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.831 -14.606 9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.451 -16.518 10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.517 -15.094 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.635 -15.590 8.799 1.00 0.00 H new ATOM 477 N GLY A 46 10.035 -15.244 5.454 1.00 0.00 N ATOM 478 CA GLY A 46 11.017 -14.734 4.515 1.00 0.00 C ATOM 479 C GLY A 46 10.421 -13.749 3.527 1.00 0.00 C ATOM 480 O GLY A 46 10.516 -13.942 2.316 1.00 0.00 O ATOM 0 H GLY A 46 9.644 -16.154 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.823 -14.249 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.460 -15.567 3.970 1.00 0.00 H new ATOM 484 N GLY A 47 9.808 -12.690 4.047 1.00 0.00 N ATOM 485 CA GLY A 47 9.204 -11.684 3.190 1.00 0.00 C ATOM 486 C GLY A 47 8.240 -12.278 2.181 1.00 0.00 C ATOM 487 O GLY A 47 7.487 -13.198 2.498 1.00 0.00 O ATOM 0 H GLY A 47 9.718 -12.510 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.676 -10.957 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.989 -11.143 2.662 1.00 0.00 H new ATOM 491 N SER A 48 8.265 -11.750 0.963 1.00 0.00 N ATOM 492 CA SER A 48 7.386 -12.230 -0.099 1.00 0.00 C ATOM 493 C SER A 48 5.922 -12.073 0.284 1.00 0.00 C ATOM 494 O SER A 48 5.046 -12.745 -0.262 1.00 0.00 O ATOM 495 CB SER A 48 7.684 -13.692 -0.407 1.00 0.00 C ATOM 496 OG SER A 48 8.608 -13.816 -1.473 1.00 0.00 O ATOM 0 H SER A 48 8.884 -10.989 0.685 1.00 0.00 H new ATOM 0 HA SER A 48 7.574 -11.627 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.084 -14.179 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.759 -14.208 -0.663 1.00 0.00 H new ATOM 0 HG SER A 48 8.781 -14.765 -1.647 1.00 0.00 H new ATOM 502 N ALA A 49 5.668 -11.180 1.225 1.00 0.00 N ATOM 503 CA ALA A 49 4.314 -10.919 1.690 1.00 0.00 C ATOM 504 C ALA A 49 3.741 -9.668 1.022 1.00 0.00 C ATOM 505 O ALA A 49 4.361 -8.603 1.052 1.00 0.00 O ATOM 506 CB ALA A 49 4.299 -10.775 3.205 1.00 0.00 C ATOM 0 H ALA A 49 6.385 -10.620 1.685 1.00 0.00 H new ATOM 0 HA ALA A 49 3.684 -11.765 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.281 -10.580 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.662 -11.696 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.943 -9.946 3.498 1.00 0.00 H new ATOM 512 N PRO A 50 2.553 -9.779 0.400 1.00 0.00 N ATOM 513 CA PRO A 50 1.910 -8.651 -0.284 1.00 0.00 C ATOM 514 C PRO A 50 1.364 -7.606 0.684 1.00 0.00 C ATOM 515 O PRO A 50 0.966 -7.926 1.805 1.00 0.00 O ATOM 516 CB PRO A 50 0.768 -9.309 -1.058 1.00 0.00 C ATOM 517 CG PRO A 50 0.450 -10.543 -0.288 1.00 0.00 C ATOM 518 CD PRO A 50 1.748 -11.012 0.305 1.00 0.00 C ATOM 0 HA PRO A 50 2.615 -8.107 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.097 -8.649 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.067 -9.546 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.283 -10.337 0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.020 -11.306 -0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.599 -11.470 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.231 -11.758 -0.326 1.00 0.00 H new ATOM 526 N ILE A 51 1.350 -6.352 0.238 1.00 0.00 N ATOM 527 CA ILE A 51 0.856 -5.248 1.052 1.00 0.00 C ATOM 528 C ILE A 51 -0.482 -4.732 0.526 1.00 0.00 C ATOM 529 O ILE A 51 -0.762 -4.817 -0.670 1.00 0.00 O ATOM 530 CB ILE A 51 1.864 -4.084 1.074 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.276 -4.605 1.379 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.434 -3.027 2.082 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.622 -4.642 2.855 1.00 0.00 C ATOM 0 H ILE A 51 1.677 -6.076 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 51 0.722 -5.631 2.064 1.00 0.00 H new ATOM 0 HB ILE A 51 1.884 -3.617 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.376 -5.610 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.002 -3.976 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.157 -2.211 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.452 -2.641 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.384 -3.471 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.636 -5.022 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.557 -3.636 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.922 -5.295 3.377 1.00 0.00 H new ATOM 545 N TYR A 52 -1.303 -4.197 1.424 1.00 0.00 N ATOM 546 CA TYR A 52 -2.610 -3.665 1.047 1.00 0.00 C ATOM 547 C TYR A 52 -2.988 -2.478 1.927 1.00 0.00 C ATOM 548 O TYR A 52 -2.869 -2.542 3.149 1.00 0.00 O ATOM 549 CB TYR A 52 -3.686 -4.747 1.161 1.00 0.00 C ATOM 550 CG TYR A 52 -3.324 -6.046 0.479 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.428 -6.932 1.062 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.883 -6.387 -0.746 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.097 -8.122 0.443 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.556 -7.576 -1.372 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.664 -8.439 -0.773 1.00 0.00 C ATOM 556 OH TYR A 52 -2.337 -9.623 -1.393 1.00 0.00 O ATOM 0 H TYR A 52 -1.087 -4.120 2.418 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.546 -3.331 0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.879 -4.943 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.614 -4.369 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.983 -6.687 2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.584 -5.713 -1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.398 -8.800 0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.997 -7.827 -2.325 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.824 -9.694 -2.240 1.00 0.00 H new ATOM 566 N VAL A 53 -3.449 -1.400 1.304 1.00 0.00 N ATOM 567 CA VAL A 53 -3.849 -0.207 2.044 1.00 0.00 C ATOM 568 C VAL A 53 -4.974 -0.528 3.022 1.00 0.00 C ATOM 569 O VAL A 53 -6.135 -0.651 2.631 1.00 0.00 O ATOM 570 CB VAL A 53 -4.307 0.918 1.096 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.570 2.202 1.871 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.273 1.149 0.000 1.00 0.00 C ATOM 0 H VAL A 53 -3.555 -1.326 0.292 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.974 0.135 2.597 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.240 0.610 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.892 2.983 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.350 2.027 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.656 2.517 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.614 1.947 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.322 1.432 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.143 0.233 -0.576 1.00 0.00 H new ATOM 582 N LYS A 54 -4.620 -0.669 4.296 1.00 0.00 N ATOM 583 CA LYS A 54 -5.598 -0.984 5.331 1.00 0.00 C ATOM 584 C LYS A 54 -6.629 0.129 5.470 1.00 0.00 C ATOM 585 O LYS A 54 -7.777 -0.123 5.836 1.00 0.00 O ATOM 586 CB LYS A 54 -4.904 -1.211 6.677 1.00 0.00 C ATOM 587 CG LYS A 54 -3.815 -0.197 6.984 1.00 0.00 C ATOM 588 CD LYS A 54 -3.520 -0.131 8.474 1.00 0.00 C ATOM 589 CE LYS A 54 -3.070 -1.479 9.014 1.00 0.00 C ATOM 590 NZ LYS A 54 -2.945 -1.471 10.497 1.00 0.00 N ATOM 0 H LYS A 54 -3.663 -0.570 4.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.110 -1.899 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.651 -1.179 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.470 -2.211 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.906 -0.462 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.122 0.787 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.746 0.613 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.412 0.197 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.784 -2.246 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.111 -1.745 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.636 -2.409 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.245 -0.757 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.866 -1.242 10.922 1.00 0.00 H new ATOM 604 N ASN A 55 -6.217 1.358 5.182 1.00 0.00 N ATOM 605 CA ASN A 55 -7.126 2.497 5.288 1.00 0.00 C ATOM 606 C ASN A 55 -6.493 3.783 4.763 1.00 0.00 C ATOM 607 O ASN A 55 -5.275 3.954 4.796 1.00 0.00 O ATOM 608 CB ASN A 55 -7.556 2.689 6.742 1.00 0.00 C ATOM 609 CG ASN A 55 -8.842 3.482 6.864 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.399 3.940 5.866 1.00 0.00 O ATOM 611 ND2 ASN A 55 -9.320 3.648 8.091 1.00 0.00 N ATOM 0 H ASN A 55 -5.272 1.592 4.877 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.998 2.279 4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.688 1.714 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.763 3.201 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.182 4.173 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.825 3.251 8.889 1.00 0.00 H new ATOM 618 N ILE A 56 -7.346 4.689 4.291 1.00 0.00 N ATOM 619 CA ILE A 56 -6.898 5.974 3.768 1.00 0.00 C ATOM 620 C ILE A 56 -7.308 7.101 4.710 1.00 0.00 C ATOM 621 O ILE A 56 -8.455 7.546 4.701 1.00 0.00 O ATOM 622 CB ILE A 56 -7.485 6.250 2.368 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.174 5.090 1.421 1.00 0.00 C ATOM 624 CG2 ILE A 56 -6.941 7.557 1.808 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.697 4.901 1.158 1.00 0.00 C ATOM 0 H ILE A 56 -8.357 4.554 4.261 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.812 5.933 3.690 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.567 6.341 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.580 4.170 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.684 5.259 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.366 7.735 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.211 8.378 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.856 7.496 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.553 4.061 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.289 5.806 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.183 4.700 2.098 1.00 0.00 H new ATOM 637 N LEU A 57 -6.365 7.552 5.528 1.00 0.00 N ATOM 638 CA LEU A 57 -6.630 8.619 6.487 1.00 0.00 C ATOM 639 C LEU A 57 -7.132 9.879 5.785 1.00 0.00 C ATOM 640 O LEU A 57 -6.807 10.125 4.623 1.00 0.00 O ATOM 641 CB LEU A 57 -5.368 8.923 7.292 1.00 0.00 C ATOM 642 CG LEU A 57 -4.657 7.689 7.851 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.496 8.095 8.744 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.637 6.808 8.612 1.00 0.00 C ATOM 0 H LEU A 57 -5.409 7.196 5.547 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.413 8.282 7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.671 9.471 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.631 9.581 8.120 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.257 7.116 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.005 7.202 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.781 8.682 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.869 8.693 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.114 5.935 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.068 7.373 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.432 6.484 7.941 1.00 0.00 H new ATOM 656 N PRO A 58 -7.949 10.691 6.483 1.00 0.00 N ATOM 657 CA PRO A 58 -8.514 11.923 5.926 1.00 0.00 C ATOM 658 C PRO A 58 -7.569 13.120 6.012 1.00 0.00 C ATOM 659 O PRO A 58 -8.016 14.267 6.062 1.00 0.00 O ATOM 660 CB PRO A 58 -9.739 12.151 6.805 1.00 0.00 C ATOM 661 CG PRO A 58 -9.347 11.606 8.137 1.00 0.00 C ATOM 662 CD PRO A 58 -8.398 10.463 7.872 1.00 0.00 C ATOM 0 HA PRO A 58 -8.725 11.826 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.992 13.209 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.614 11.637 6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.868 12.374 8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.222 11.263 8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.560 10.469 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.894 9.498 7.979 1.00 0.00 H new ATOM 670 N ARG A 59 -6.267 12.857 6.024 1.00 0.00 N ATOM 671 CA ARG A 59 -5.277 13.924 6.099 1.00 0.00 C ATOM 672 C ARG A 59 -3.970 13.497 5.441 1.00 0.00 C ATOM 673 O ARG A 59 -3.039 13.060 6.119 1.00 0.00 O ATOM 674 CB ARG A 59 -5.023 14.315 7.555 1.00 0.00 C ATOM 675 CG ARG A 59 -6.228 14.945 8.236 1.00 0.00 C ATOM 676 CD ARG A 59 -6.565 16.298 7.632 1.00 0.00 C ATOM 677 NE ARG A 59 -7.583 17.003 8.406 1.00 0.00 N ATOM 678 CZ ARG A 59 -8.298 18.025 7.937 1.00 0.00 C ATOM 679 NH1 ARG A 59 -8.106 18.463 6.698 1.00 0.00 N ATOM 680 NH2 ARG A 59 -9.204 18.609 8.708 1.00 0.00 N ATOM 0 H ARG A 59 -5.874 11.917 5.983 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.670 14.788 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.723 13.428 8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.188 15.014 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.087 14.281 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.026 15.061 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.662 16.907 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.917 16.161 6.609 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.757 16.695 9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.409 18.017 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.655 19.246 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.354 18.276 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.751 19.391 8.349 1.00 0.00 H new ATOM 694 N GLY A 60 -3.905 13.628 4.121 1.00 0.00 N ATOM 695 CA GLY A 60 -2.703 13.250 3.402 1.00 0.00 C ATOM 696 C GLY A 60 -2.778 13.565 1.923 1.00 0.00 C ATOM 697 O GLY A 60 -3.762 14.130 1.447 1.00 0.00 O ATOM 0 H GLY A 60 -4.660 13.988 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.848 13.768 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.528 12.182 3.533 1.00 0.00 H new ATOM 701 N ALA A 61 -1.725 13.205 1.199 1.00 0.00 N ATOM 702 CA ALA A 61 -1.655 13.453 -0.236 1.00 0.00 C ATOM 703 C ALA A 61 -2.518 12.475 -1.029 1.00 0.00 C ATOM 704 O ALA A 61 -2.990 12.800 -2.117 1.00 0.00 O ATOM 705 CB ALA A 61 -0.212 13.391 -0.711 1.00 0.00 C ATOM 0 H ALA A 61 -0.904 12.738 1.584 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.049 14.453 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.174 13.578 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.375 14.147 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.198 12.404 -0.500 1.00 0.00 H new ATOM 711 N ALA A 62 -2.709 11.275 -0.495 1.00 0.00 N ATOM 712 CA ALA A 62 -3.506 10.266 -1.184 1.00 0.00 C ATOM 713 C ALA A 62 -4.968 10.682 -1.277 1.00 0.00 C ATOM 714 O ALA A 62 -5.536 10.730 -2.368 1.00 0.00 O ATOM 715 CB ALA A 62 -3.378 8.917 -0.493 1.00 0.00 C ATOM 0 H ALA A 62 -2.328 10.978 0.403 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.120 10.175 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.980 8.178 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.334 8.604 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.728 9.000 0.536 1.00 0.00 H new ATOM 721 N ILE A 63 -5.575 10.977 -0.135 1.00 0.00 N ATOM 722 CA ILE A 63 -6.968 11.381 -0.108 1.00 0.00 C ATOM 723 C ILE A 63 -7.183 12.695 -0.857 1.00 0.00 C ATOM 724 O ILE A 63 -8.207 12.880 -1.514 1.00 0.00 O ATOM 725 CB ILE A 63 -7.489 11.494 1.339 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.932 11.005 1.390 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.373 12.919 1.871 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.433 10.765 2.791 1.00 0.00 C ATOM 0 H ILE A 63 -5.124 10.943 0.779 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.539 10.605 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.872 10.868 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.574 11.739 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.015 10.080 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.750 12.958 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.328 13.228 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.958 13.591 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.466 10.419 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.814 10.009 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.382 11.693 3.360 1.00 0.00 H new ATOM 740 N GLN A 64 -6.212 13.601 -0.762 1.00 0.00 N ATOM 741 CA GLN A 64 -6.316 14.882 -1.448 1.00 0.00 C ATOM 742 C GLN A 64 -6.153 14.698 -2.954 1.00 0.00 C ATOM 743 O GLN A 64 -6.817 15.367 -3.747 1.00 0.00 O ATOM 744 CB GLN A 64 -5.278 15.874 -0.903 1.00 0.00 C ATOM 745 CG GLN A 64 -3.919 15.789 -1.583 1.00 0.00 C ATOM 746 CD GLN A 64 -2.898 16.723 -0.962 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.698 16.724 0.252 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.244 17.524 -1.796 1.00 0.00 N ATOM 0 H GLN A 64 -5.355 13.473 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.308 15.293 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.665 16.887 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.149 15.698 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.551 14.764 -1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.030 16.029 -2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.442 17.490 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.544 18.173 -1.436 1.00 0.00 H new ATOM 757 N ASP A 65 -5.272 13.779 -3.342 1.00 0.00 N ATOM 758 CA ASP A 65 -5.030 13.503 -4.753 1.00 0.00 C ATOM 759 C ASP A 65 -6.218 12.772 -5.369 1.00 0.00 C ATOM 760 O ASP A 65 -6.539 12.965 -6.542 1.00 0.00 O ATOM 761 CB ASP A 65 -3.760 12.668 -4.924 1.00 0.00 C ATOM 762 CG ASP A 65 -2.516 13.528 -5.045 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.361 14.206 -6.082 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.697 13.523 -4.102 1.00 0.00 O ATOM 0 H ASP A 65 -4.716 13.215 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.899 14.455 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.653 11.996 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.855 12.044 -5.813 1.00 0.00 H new ATOM 769 N GLY A 66 -6.864 11.928 -4.570 1.00 0.00 N ATOM 770 CA GLY A 66 -8.008 11.178 -5.052 1.00 0.00 C ATOM 771 C GLY A 66 -7.637 10.213 -6.160 1.00 0.00 C ATOM 772 O GLY A 66 -8.139 10.320 -7.280 1.00 0.00 O ATOM 0 H GLY A 66 -6.615 11.751 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.452 10.624 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.767 11.871 -5.415 1.00 0.00 H new ATOM 776 N ARG A 67 -6.753 9.270 -5.851 1.00 0.00 N ATOM 777 CA ARG A 67 -6.314 8.287 -6.833 1.00 0.00 C ATOM 778 C ARG A 67 -6.218 6.896 -6.215 1.00 0.00 C ATOM 779 O ARG A 67 -6.682 5.915 -6.797 1.00 0.00 O ATOM 780 CB ARG A 67 -4.960 8.692 -7.419 1.00 0.00 C ATOM 781 CG ARG A 67 -4.965 10.066 -8.071 1.00 0.00 C ATOM 782 CD ARG A 67 -3.936 10.158 -9.188 1.00 0.00 C ATOM 783 NE ARG A 67 -4.565 10.272 -10.501 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.923 10.065 -11.649 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.637 9.739 -11.651 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.571 10.189 -12.801 1.00 0.00 N ATOM 0 H ARG A 67 -6.328 9.166 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.056 8.256 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.212 8.678 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.656 7.950 -8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.957 10.276 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.756 10.827 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.292 11.021 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.298 9.275 -9.167 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.552 10.525 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.133 9.645 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.152 9.582 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.559 10.442 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.081 10.031 -13.681 1.00 0.00 H new ATOM 800 N LEU A 68 -5.612 6.816 -5.036 1.00 0.00 N ATOM 801 CA LEU A 68 -5.454 5.543 -4.345 1.00 0.00 C ATOM 802 C LEU A 68 -6.356 5.479 -3.112 1.00 0.00 C ATOM 803 O LEU A 68 -6.252 6.309 -2.209 1.00 0.00 O ATOM 804 CB LEU A 68 -3.979 5.332 -3.967 1.00 0.00 C ATOM 805 CG LEU A 68 -3.703 4.956 -2.508 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.258 3.573 -2.198 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.209 5.010 -2.220 1.00 0.00 C ATOM 0 H LEU A 68 -5.222 7.617 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.757 4.738 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.570 4.549 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.433 6.247 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.205 5.678 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.052 3.323 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.335 3.567 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.785 2.837 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.029 4.740 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.687 4.309 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.840 6.019 -2.402 1.00 0.00 H new ATOM 819 N LYS A 69 -7.245 4.491 -3.089 1.00 0.00 N ATOM 820 CA LYS A 69 -8.167 4.317 -1.977 1.00 0.00 C ATOM 821 C LYS A 69 -7.740 3.156 -1.086 1.00 0.00 C ATOM 822 O LYS A 69 -6.662 2.590 -1.257 1.00 0.00 O ATOM 823 CB LYS A 69 -9.584 4.077 -2.501 1.00 0.00 C ATOM 824 CG LYS A 69 -10.436 5.332 -2.552 1.00 0.00 C ATOM 825 CD LYS A 69 -10.395 6.092 -1.236 1.00 0.00 C ATOM 826 CE LYS A 69 -11.653 6.918 -1.027 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.994 7.058 0.415 1.00 0.00 N ATOM 0 H LYS A 69 -7.345 3.798 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.153 5.229 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.524 3.648 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.076 3.340 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.085 5.978 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.466 5.063 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.281 5.388 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.523 6.746 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.515 7.907 -1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.485 6.450 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.858 7.628 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.151 6.116 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.211 7.527 0.913 1.00 0.00 H new ATOM 841 N ALA A 70 -8.600 2.809 -0.134 1.00 0.00 N ATOM 842 CA ALA A 70 -8.321 1.713 0.787 1.00 0.00 C ATOM 843 C ALA A 70 -8.710 0.371 0.179 1.00 0.00 C ATOM 844 O ALA A 70 -9.582 0.301 -0.689 1.00 0.00 O ATOM 845 CB ALA A 70 -9.054 1.930 2.102 1.00 0.00 C ATOM 0 H ALA A 70 -9.496 3.271 0.020 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.248 1.698 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.837 1.105 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.724 2.866 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.127 1.975 1.917 1.00 0.00 H new ATOM 851 N GLY A 71 -8.059 -0.693 0.637 1.00 0.00 N ATOM 852 CA GLY A 71 -8.351 -2.019 0.123 1.00 0.00 C ATOM 853 C GLY A 71 -7.486 -2.387 -1.068 1.00 0.00 C ATOM 854 O GLY A 71 -7.402 -3.557 -1.442 1.00 0.00 O ATOM 0 H GLY A 71 -7.335 -0.661 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.203 -2.753 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.401 -2.070 -0.166 1.00 0.00 H new ATOM 858 N ASP A 72 -6.840 -1.388 -1.664 1.00 0.00 N ATOM 859 CA ASP A 72 -5.980 -1.617 -2.819 1.00 0.00 C ATOM 860 C ASP A 72 -4.757 -2.444 -2.431 1.00 0.00 C ATOM 861 O ASP A 72 -4.418 -2.554 -1.254 1.00 0.00 O ATOM 862 CB ASP A 72 -5.538 -0.283 -3.422 1.00 0.00 C ATOM 863 CG ASP A 72 -6.343 0.091 -4.653 1.00 0.00 C ATOM 864 OD1 ASP A 72 -6.100 -0.504 -5.723 1.00 0.00 O ATOM 865 OD2 ASP A 72 -7.215 0.978 -4.544 1.00 0.00 O ATOM 0 H ASP A 72 -6.896 -0.414 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.551 -2.173 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.639 0.502 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.482 -0.339 -3.685 1.00 0.00 H new ATOM 870 N ARG A 73 -4.101 -3.024 -3.431 1.00 0.00 N ATOM 871 CA ARG A 73 -2.916 -3.842 -3.196 1.00 0.00 C ATOM 872 C ARG A 73 -1.676 -3.194 -3.808 1.00 0.00 C ATOM 873 O ARG A 73 -1.659 -2.861 -4.992 1.00 0.00 O ATOM 874 CB ARG A 73 -3.118 -5.244 -3.776 1.00 0.00 C ATOM 875 CG ARG A 73 -1.903 -6.147 -3.636 1.00 0.00 C ATOM 876 CD ARG A 73 -1.077 -6.175 -4.913 1.00 0.00 C ATOM 877 NE ARG A 73 -0.902 -7.533 -5.423 1.00 0.00 N ATOM 878 CZ ARG A 73 -1.822 -8.183 -6.131 1.00 0.00 C ATOM 879 NH1 ARG A 73 -2.982 -7.605 -6.417 1.00 0.00 N ATOM 880 NH2 ARG A 73 -1.581 -9.417 -6.557 1.00 0.00 N ATOM 0 H ARG A 73 -4.370 -2.943 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.765 -3.921 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.967 -5.714 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.374 -5.157 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.284 -5.800 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.227 -7.158 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.563 -5.563 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.100 -5.731 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.023 -8.011 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.173 -6.657 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.683 -8.109 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.691 -9.866 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.286 -9.916 -7.100 1.00 0.00 H new ATOM 894 N LEU A 74 -0.643 -3.020 -2.989 1.00 0.00 N ATOM 895 CA LEU A 74 0.606 -2.413 -3.442 1.00 0.00 C ATOM 896 C LEU A 74 1.432 -3.406 -4.248 1.00 0.00 C ATOM 897 O LEU A 74 1.879 -4.430 -3.730 1.00 0.00 O ATOM 898 CB LEU A 74 1.409 -1.905 -2.243 1.00 0.00 C ATOM 899 CG LEU A 74 1.252 -0.413 -1.947 1.00 0.00 C ATOM 900 CD1 LEU A 74 1.112 -0.174 -0.452 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.429 0.371 -2.509 1.00 0.00 C ATOM 0 H LEU A 74 -0.646 -3.291 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 74 0.363 -1.570 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.110 -2.469 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.464 -2.117 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 74 0.343 -0.061 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.001 0.894 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.234 -0.701 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.001 -0.543 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.299 1.430 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.353 0.016 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.479 0.229 -3.589 1.00 0.00 H new ATOM 913 N ILE A 75 1.631 -3.090 -5.523 1.00 0.00 N ATOM 914 CA ILE A 75 2.402 -3.945 -6.413 1.00 0.00 C ATOM 915 C ILE A 75 3.811 -3.396 -6.621 1.00 0.00 C ATOM 916 O ILE A 75 4.747 -4.153 -6.876 1.00 0.00 O ATOM 917 CB ILE A 75 1.709 -4.088 -7.779 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.298 -4.652 -7.584 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.533 -4.976 -8.703 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.272 -5.323 -8.813 1.00 0.00 C ATOM 0 H ILE A 75 1.267 -2.245 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 75 2.468 -4.925 -5.940 1.00 0.00 H new ATOM 0 HB ILE A 75 1.629 -3.107 -8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.315 -5.371 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.367 -3.843 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.029 -5.067 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.518 -4.533 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.642 -5.964 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.273 -5.695 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.324 -4.603 -9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.369 -6.155 -9.104 1.00 0.00 H new ATOM 932 N GLU A 76 3.953 -2.078 -6.515 1.00 0.00 N ATOM 933 CA GLU A 76 5.255 -1.442 -6.700 1.00 0.00 C ATOM 934 C GLU A 76 5.311 -0.067 -6.037 1.00 0.00 C ATOM 935 O GLU A 76 4.321 0.663 -6.005 1.00 0.00 O ATOM 936 CB GLU A 76 5.572 -1.303 -8.192 1.00 0.00 C ATOM 937 CG GLU A 76 6.352 -2.474 -8.765 1.00 0.00 C ATOM 938 CD GLU A 76 6.713 -2.275 -10.225 1.00 0.00 C ATOM 939 OE1 GLU A 76 5.903 -1.669 -10.959 1.00 0.00 O ATOM 940 OE2 GLU A 76 7.804 -2.724 -10.635 1.00 0.00 O ATOM 0 H GLU A 76 3.191 -1.434 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 76 6.000 -2.081 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.638 -1.196 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.142 -0.387 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.264 -2.617 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.762 -3.385 -8.661 1.00 0.00 H new ATOM 947 N VAL A 77 6.487 0.278 -5.521 1.00 0.00 N ATOM 948 CA VAL A 77 6.699 1.564 -4.867 1.00 0.00 C ATOM 949 C VAL A 77 8.032 2.167 -5.303 1.00 0.00 C ATOM 950 O VAL A 77 9.084 1.549 -5.139 1.00 0.00 O ATOM 951 CB VAL A 77 6.679 1.435 -3.329 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.918 2.785 -2.670 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.361 0.836 -2.861 1.00 0.00 C ATOM 0 H VAL A 77 7.313 -0.320 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 77 5.880 2.218 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 77 7.486 0.765 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.900 2.669 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.889 3.173 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.137 3.482 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.365 0.752 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.538 1.479 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.235 -0.153 -3.300 1.00 0.00 H new ATOM 963 N ASN A 78 7.982 3.371 -5.862 1.00 0.00 N ATOM 964 CA ASN A 78 9.188 4.046 -6.328 1.00 0.00 C ATOM 965 C ASN A 78 9.856 3.247 -7.442 1.00 0.00 C ATOM 966 O ASN A 78 11.074 3.295 -7.612 1.00 0.00 O ATOM 967 CB ASN A 78 10.166 4.254 -5.170 1.00 0.00 C ATOM 968 CG ASN A 78 9.990 5.601 -4.498 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.845 5.685 -3.277 1.00 0.00 O ATOM 970 ND2 ASN A 78 10.003 6.664 -5.293 1.00 0.00 N ATOM 0 H ASN A 78 7.121 3.899 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 78 8.901 5.020 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.026 3.463 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.187 4.167 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.890 7.598 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.126 6.547 -6.299 1.00 0.00 H new ATOM 977 N GLY A 79 9.046 2.514 -8.199 1.00 0.00 N ATOM 978 CA GLY A 79 9.568 1.713 -9.291 1.00 0.00 C ATOM 979 C GLY A 79 10.173 0.399 -8.825 1.00 0.00 C ATOM 980 O GLY A 79 10.845 -0.283 -9.597 1.00 0.00 O ATOM 0 H GLY A 79 8.035 2.460 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.766 1.507 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.325 2.286 -9.826 1.00 0.00 H new ATOM 984 N VAL A 80 9.939 0.044 -7.565 1.00 0.00 N ATOM 985 CA VAL A 80 10.473 -1.195 -7.014 1.00 0.00 C ATOM 986 C VAL A 80 9.374 -2.226 -6.793 1.00 0.00 C ATOM 987 O VAL A 80 8.272 -1.892 -6.356 1.00 0.00 O ATOM 988 CB VAL A 80 11.200 -0.957 -5.676 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.867 -2.237 -5.190 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.218 0.162 -5.817 1.00 0.00 C ATOM 0 H VAL A 80 9.385 0.595 -6.909 1.00 0.00 H new ATOM 0 HA VAL A 80 11.185 -1.573 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 80 10.462 -0.657 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.374 -2.046 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.111 -3.009 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.593 -2.572 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.722 0.317 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.952 -0.108 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.711 1.080 -6.113 1.00 0.00 H new ATOM 1000 N ASP A 81 9.688 -3.482 -7.085 1.00 0.00 N ATOM 1001 CA ASP A 81 8.737 -4.569 -6.904 1.00 0.00 C ATOM 1002 C ASP A 81 8.646 -4.952 -5.432 1.00 0.00 C ATOM 1003 O ASP A 81 9.632 -5.383 -4.832 1.00 0.00 O ATOM 1004 CB ASP A 81 9.150 -5.783 -7.742 1.00 0.00 C ATOM 1005 CG ASP A 81 8.160 -6.087 -8.847 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.608 -5.129 -9.430 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.935 -7.282 -9.131 1.00 0.00 O ATOM 0 H ASP A 81 10.596 -3.772 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 81 7.756 -4.231 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.133 -5.602 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.244 -6.654 -7.093 1.00 0.00 H new ATOM 1012 N LEU A 82 7.461 -4.793 -4.856 1.00 0.00 N ATOM 1013 CA LEU A 82 7.245 -5.125 -3.452 1.00 0.00 C ATOM 1014 C LEU A 82 6.935 -6.610 -3.280 1.00 0.00 C ATOM 1015 O LEU A 82 6.386 -7.022 -2.259 1.00 0.00 O ATOM 1016 CB LEU A 82 6.106 -4.285 -2.876 1.00 0.00 C ATOM 1017 CG LEU A 82 6.113 -2.813 -3.288 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.692 -2.284 -3.402 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.913 -1.985 -2.293 1.00 0.00 C ATOM 0 H LEU A 82 6.636 -4.437 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 82 8.163 -4.901 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.158 -4.727 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.147 -4.342 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 82 6.589 -2.731 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.717 -1.235 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.149 -2.858 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.190 -2.379 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.907 -0.940 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.465 -2.073 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.940 -2.348 -2.260 1.00 0.00 H new ATOM 1031 N ALA A 83 7.294 -7.411 -4.280 1.00 0.00 N ATOM 1032 CA ALA A 83 7.054 -8.847 -4.226 1.00 0.00 C ATOM 1033 C ALA A 83 8.270 -9.574 -3.662 1.00 0.00 C ATOM 1034 O ALA A 83 8.945 -10.323 -4.369 1.00 0.00 O ATOM 1035 CB ALA A 83 6.703 -9.381 -5.604 1.00 0.00 C ATOM 0 H ALA A 83 7.750 -7.090 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 83 6.209 -9.029 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.527 -10.455 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.803 -8.886 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.527 -9.186 -6.290 1.00 0.00 H new ATOM 1041 N GLY A 84 8.544 -9.338 -2.385 1.00 0.00 N ATOM 1042 CA GLY A 84 9.680 -9.964 -1.739 1.00 0.00 C ATOM 1043 C GLY A 84 10.469 -8.981 -0.898 1.00 0.00 C ATOM 1044 O GLY A 84 11.700 -8.983 -0.918 1.00 0.00 O ATOM 0 H GLY A 84 7.997 -8.722 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.333 -10.783 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.333 -10.399 -2.496 1.00 0.00 H new ATOM 1048 N LYS A 85 9.758 -8.134 -0.159 1.00 0.00 N ATOM 1049 CA LYS A 85 10.396 -7.137 0.687 1.00 0.00 C ATOM 1050 C LYS A 85 9.884 -7.231 2.129 1.00 0.00 C ATOM 1051 O LYS A 85 10.355 -8.065 2.901 1.00 0.00 O ATOM 1052 CB LYS A 85 10.168 -5.737 0.108 1.00 0.00 C ATOM 1053 CG LYS A 85 10.735 -5.564 -1.292 1.00 0.00 C ATOM 1054 CD LYS A 85 11.375 -4.199 -1.472 1.00 0.00 C ATOM 1055 CE LYS A 85 10.330 -3.113 -1.653 1.00 0.00 C ATOM 1056 NZ LYS A 85 9.942 -2.943 -3.081 1.00 0.00 N ATOM 0 H LYS A 85 8.738 -8.120 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 85 11.468 -7.332 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.098 -5.530 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.622 -5.000 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.475 -6.341 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.939 -5.693 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.994 -3.969 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.036 -4.217 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.446 -3.359 -1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.717 -2.170 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.232 -2.000 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.412 -3.670 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.911 -3.040 -3.174 1.00 0.00 H new ATOM 1070 N SER A 86 8.920 -6.380 2.488 1.00 0.00 N ATOM 1071 CA SER A 86 8.353 -6.379 3.836 1.00 0.00 C ATOM 1072 C SER A 86 7.529 -5.117 4.069 1.00 0.00 C ATOM 1073 O SER A 86 7.612 -4.161 3.300 1.00 0.00 O ATOM 1074 CB SER A 86 9.458 -6.476 4.895 1.00 0.00 C ATOM 1075 OG SER A 86 8.999 -6.034 6.160 1.00 0.00 O ATOM 0 H SER A 86 8.516 -5.683 1.862 1.00 0.00 H new ATOM 0 HA SER A 86 7.705 -7.251 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.802 -7.507 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.314 -5.876 4.586 1.00 0.00 H new ATOM 0 HG SER A 86 9.724 -6.109 6.815 1.00 0.00 H new ATOM 1081 N GLN A 87 6.743 -5.116 5.138 1.00 0.00 N ATOM 1082 CA GLN A 87 5.915 -3.966 5.474 1.00 0.00 C ATOM 1083 C GLN A 87 6.791 -2.805 5.907 1.00 0.00 C ATOM 1084 O GLN A 87 6.715 -1.714 5.350 1.00 0.00 O ATOM 1085 CB GLN A 87 4.918 -4.325 6.580 1.00 0.00 C ATOM 1086 CG GLN A 87 4.108 -3.142 7.091 1.00 0.00 C ATOM 1087 CD GLN A 87 2.657 -3.193 6.652 1.00 0.00 C ATOM 1088 OE1 GLN A 87 1.760 -3.440 7.458 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.419 -2.958 5.367 1.00 0.00 N ATOM 0 H GLN A 87 6.662 -5.899 5.787 1.00 0.00 H new ATOM 0 HA GLN A 87 5.351 -3.671 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.234 -5.086 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.461 -4.768 7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.153 -3.119 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.559 -2.216 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.193 -2.757 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.462 -2.978 5.013 1.00 0.00 H new ATOM 1098 N GLU A 88 7.638 -3.055 6.895 1.00 0.00 N ATOM 1099 CA GLU A 88 8.546 -2.031 7.383 1.00 0.00 C ATOM 1100 C GLU A 88 9.490 -1.608 6.268 1.00 0.00 C ATOM 1101 O GLU A 88 9.925 -0.458 6.209 1.00 0.00 O ATOM 1102 CB GLU A 88 9.343 -2.539 8.589 1.00 0.00 C ATOM 1103 CG GLU A 88 10.298 -1.506 9.164 1.00 0.00 C ATOM 1104 CD GLU A 88 10.958 -1.973 10.447 1.00 0.00 C ATOM 1105 OE1 GLU A 88 11.876 -2.816 10.370 1.00 0.00 O ATOM 1106 OE2 GLU A 88 10.556 -1.495 11.529 1.00 0.00 O ATOM 0 H GLU A 88 7.714 -3.954 7.371 1.00 0.00 H new ATOM 0 HA GLU A 88 7.960 -1.170 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.648 -2.853 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.910 -3.422 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.067 -1.277 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.755 -0.581 9.355 1.00 0.00 H new ATOM 1113 N GLU A 89 9.784 -2.544 5.371 1.00 0.00 N ATOM 1114 CA GLU A 89 10.656 -2.258 4.242 1.00 0.00 C ATOM 1115 C GLU A 89 9.935 -1.349 3.260 1.00 0.00 C ATOM 1116 O GLU A 89 10.429 -0.279 2.902 1.00 0.00 O ATOM 1117 CB GLU A 89 11.078 -3.552 3.546 1.00 0.00 C ATOM 1118 CG GLU A 89 12.195 -4.287 4.264 1.00 0.00 C ATOM 1119 CD GLU A 89 12.812 -5.384 3.419 1.00 0.00 C ATOM 1120 OE1 GLU A 89 12.192 -5.777 2.409 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.918 -5.851 3.768 1.00 0.00 O ATOM 0 H GLU A 89 9.433 -3.501 5.405 1.00 0.00 H new ATOM 0 HA GLU A 89 11.553 -1.758 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.213 -4.211 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.399 -3.321 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.969 -3.574 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.806 -4.720 5.186 1.00 0.00 H new ATOM 1128 N VAL A 90 8.752 -1.782 2.849 1.00 0.00 N ATOM 1129 CA VAL A 90 7.930 -1.015 1.921 1.00 0.00 C ATOM 1130 C VAL A 90 7.642 0.374 2.487 1.00 0.00 C ATOM 1131 O VAL A 90 7.783 1.387 1.796 1.00 0.00 O ATOM 1132 CB VAL A 90 6.602 -1.749 1.624 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.690 -0.890 0.761 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.875 -3.087 0.950 1.00 0.00 C ATOM 0 H VAL A 90 8.337 -2.666 3.145 1.00 0.00 H new ATOM 0 HA VAL A 90 8.484 -0.910 0.988 1.00 0.00 H new ATOM 0 HB VAL A 90 6.094 -1.935 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.762 -1.427 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.467 0.041 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.186 -0.667 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.930 -3.592 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.406 -2.921 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.484 -3.708 1.607 1.00 0.00 H new ATOM 1144 N VAL A 91 7.260 0.412 3.759 1.00 0.00 N ATOM 1145 CA VAL A 91 6.978 1.669 4.429 1.00 0.00 C ATOM 1146 C VAL A 91 8.247 2.504 4.516 1.00 0.00 C ATOM 1147 O VAL A 91 8.204 3.731 4.465 1.00 0.00 O ATOM 1148 CB VAL A 91 6.411 1.444 5.844 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.012 2.765 6.480 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.227 0.489 5.799 1.00 0.00 C ATOM 0 H VAL A 91 7.140 -0.415 4.344 1.00 0.00 H new ATOM 0 HA VAL A 91 6.225 2.197 3.843 1.00 0.00 H new ATOM 0 HB VAL A 91 7.191 0.994 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.614 2.583 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.885 3.414 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.250 3.248 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.840 0.342 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.444 0.909 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.548 -0.469 5.390 1.00 0.00 H new ATOM 1160 N SER A 92 9.383 1.823 4.635 1.00 0.00 N ATOM 1161 CA SER A 92 10.672 2.495 4.715 1.00 0.00 C ATOM 1162 C SER A 92 10.953 3.258 3.424 1.00 0.00 C ATOM 1163 O SER A 92 11.554 4.331 3.445 1.00 0.00 O ATOM 1164 CB SER A 92 11.788 1.483 4.985 1.00 0.00 C ATOM 1165 OG SER A 92 12.179 1.507 6.345 1.00 0.00 O ATOM 0 H SER A 92 9.435 0.805 4.678 1.00 0.00 H new ATOM 0 HA SER A 92 10.640 3.205 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.448 0.482 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.647 1.707 4.352 1.00 0.00 H new ATOM 0 HG SER A 92 11.627 0.878 6.855 1.00 0.00 H new ATOM 1171 N LEU A 93 10.503 2.700 2.300 1.00 0.00 N ATOM 1172 CA LEU A 93 10.704 3.343 1.005 1.00 0.00 C ATOM 1173 C LEU A 93 9.890 4.623 0.923 1.00 0.00 C ATOM 1174 O LEU A 93 10.418 5.690 0.610 1.00 0.00 O ATOM 1175 CB LEU A 93 10.303 2.421 -0.147 1.00 0.00 C ATOM 1176 CG LEU A 93 10.563 0.937 0.078 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.968 0.117 -1.057 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.055 0.669 0.210 1.00 0.00 C ATOM 0 H LEU A 93 10.002 1.813 2.261 1.00 0.00 H new ATOM 0 HA LEU A 93 11.766 3.571 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.240 2.559 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.839 2.734 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 93 10.080 0.638 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.162 -0.941 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.892 0.286 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.423 0.418 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.221 -0.396 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.563 0.982 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.452 1.229 1.057 1.00 0.00 H new ATOM 1190 N LEU A 94 8.597 4.507 1.207 1.00 0.00 N ATOM 1191 CA LEU A 94 7.708 5.663 1.164 1.00 0.00 C ATOM 1192 C LEU A 94 8.068 6.661 2.261 1.00 0.00 C ATOM 1193 O LEU A 94 7.889 7.865 2.097 1.00 0.00 O ATOM 1194 CB LEU A 94 6.245 5.227 1.284 1.00 0.00 C ATOM 1195 CG LEU A 94 5.797 4.807 2.684 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.297 6.011 3.467 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.718 3.739 2.595 1.00 0.00 C ATOM 0 H LEU A 94 8.144 3.631 1.468 1.00 0.00 H new ATOM 0 HA LEU A 94 7.836 6.156 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.611 6.048 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.075 4.394 0.602 1.00 0.00 H new ATOM 0 HG LEU A 94 6.654 4.388 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.982 5.693 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.098 6.745 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.452 6.459 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.409 3.450 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.860 4.133 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.111 2.868 2.071 1.00 0.00 H new ATOM 1209 N ARG A 95 8.592 6.159 3.373 1.00 0.00 N ATOM 1210 CA ARG A 95 8.995 7.025 4.475 1.00 0.00 C ATOM 1211 C ARG A 95 10.262 7.791 4.109 1.00 0.00 C ATOM 1212 O ARG A 95 10.476 8.916 4.562 1.00 0.00 O ATOM 1213 CB ARG A 95 9.223 6.215 5.751 1.00 0.00 C ATOM 1214 CG ARG A 95 8.052 6.277 6.718 1.00 0.00 C ATOM 1215 CD ARG A 95 8.157 5.204 7.787 1.00 0.00 C ATOM 1216 NE ARG A 95 7.450 5.575 9.010 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.125 5.660 9.104 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.359 5.400 8.051 1.00 0.00 N ATOM 1219 NH2 ARG A 95 5.562 6.005 10.255 1.00 0.00 N ATOM 0 H ARG A 95 8.747 5.164 3.535 1.00 0.00 H new ATOM 0 HA ARG A 95 8.190 7.736 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.411 5.175 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.119 6.583 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.019 7.259 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.118 6.155 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.749 4.269 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.207 5.023 8.017 1.00 0.00 H new ATOM 0 HE ARG A 95 8.004 5.781 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.785 5.133 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.344 5.467 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.145 6.205 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.547 6.070 10.327 1.00 0.00 H new ATOM 1233 N SER A 96 11.101 7.166 3.285 1.00 0.00 N ATOM 1234 CA SER A 96 12.354 7.774 2.852 1.00 0.00 C ATOM 1235 C SER A 96 12.108 9.103 2.151 1.00 0.00 C ATOM 1236 O SER A 96 12.796 10.091 2.413 1.00 0.00 O ATOM 1237 CB SER A 96 13.112 6.824 1.920 1.00 0.00 C ATOM 1238 OG SER A 96 14.461 6.681 2.324 1.00 0.00 O ATOM 0 H SER A 96 10.933 6.235 2.903 1.00 0.00 H new ATOM 0 HA SER A 96 12.958 7.963 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.625 5.849 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.073 7.204 0.899 1.00 0.00 H new ATOM 0 HG SER A 96 14.922 6.068 1.714 1.00 0.00 H new ATOM 1244 N THR A 97 11.120 9.127 1.261 1.00 0.00 N ATOM 1245 CA THR A 97 10.783 10.343 0.524 1.00 0.00 C ATOM 1246 C THR A 97 10.675 11.533 1.475 1.00 0.00 C ATOM 1247 O THR A 97 9.911 11.501 2.440 1.00 0.00 O ATOM 1248 CB THR A 97 9.466 10.159 -0.238 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.718 9.090 0.304 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.655 9.876 -1.714 1.00 0.00 C ATOM 0 H THR A 97 10.539 8.320 1.032 1.00 0.00 H new ATOM 0 HA THR A 97 11.580 10.540 -0.193 1.00 0.00 H new ATOM 0 HB THR A 97 8.942 11.109 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.563 9.250 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.681 9.757 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.187 10.706 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.233 8.960 -1.838 1.00 0.00 H new ATOM 1258 N LYS A 98 11.452 12.574 1.201 1.00 0.00 N ATOM 1259 CA LYS A 98 11.453 13.770 2.038 1.00 0.00 C ATOM 1260 C LYS A 98 10.416 14.777 1.555 1.00 0.00 C ATOM 1261 O LYS A 98 9.716 14.538 0.571 1.00 0.00 O ATOM 1262 CB LYS A 98 12.841 14.413 2.040 1.00 0.00 C ATOM 1263 CG LYS A 98 13.877 13.622 2.821 1.00 0.00 C ATOM 1264 CD LYS A 98 15.141 13.394 2.007 1.00 0.00 C ATOM 1265 CE LYS A 98 16.173 14.481 2.260 1.00 0.00 C ATOM 1266 NZ LYS A 98 17.138 14.092 3.327 1.00 0.00 N ATOM 0 H LYS A 98 12.090 12.615 0.406 1.00 0.00 H new ATOM 0 HA LYS A 98 11.194 13.471 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.182 14.525 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.767 15.415 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.126 14.155 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.455 12.661 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 98 15.566 12.422 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.892 13.368 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 98 16.716 14.689 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.667 15.403 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.825 14.859 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.623 13.918 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 17.640 13.226 3.043 1.00 0.00 H new ATOM 1280 N MET A 99 10.325 15.907 2.251 1.00 0.00 N ATOM 1281 CA MET A 99 9.376 16.955 1.890 1.00 0.00 C ATOM 1282 C MET A 99 9.485 17.290 0.406 1.00 0.00 C ATOM 1283 O MET A 99 10.585 17.364 -0.142 1.00 0.00 O ATOM 1284 CB MET A 99 9.623 18.209 2.731 1.00 0.00 C ATOM 1285 CG MET A 99 9.447 17.986 4.224 1.00 0.00 C ATOM 1286 SD MET A 99 7.720 18.061 4.739 1.00 0.00 S ATOM 1287 CE MET A 99 7.432 16.357 5.210 1.00 0.00 C ATOM 0 H MET A 99 10.897 16.120 3.068 1.00 0.00 H new ATOM 0 HA MET A 99 8.369 16.589 2.091 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.635 18.569 2.543 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.940 18.994 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.861 17.014 4.493 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.018 18.738 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.513 16.291 5.792 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.339 15.743 4.314 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.268 15.999 5.810 1.00 0.00 H new ATOM 1297 N GLU A 100 8.343 17.483 -0.243 1.00 0.00 N ATOM 1298 CA GLU A 100 8.323 17.794 -1.668 1.00 0.00 C ATOM 1299 C GLU A 100 8.960 16.660 -2.462 1.00 0.00 C ATOM 1300 O GLU A 100 10.169 16.649 -2.694 1.00 0.00 O ATOM 1301 CB GLU A 100 9.065 19.105 -1.939 1.00 0.00 C ATOM 1302 CG GLU A 100 8.427 20.314 -1.273 1.00 0.00 C ATOM 1303 CD GLU A 100 8.392 21.527 -2.181 1.00 0.00 C ATOM 1304 OE1 GLU A 100 7.599 21.524 -3.146 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.156 22.481 -1.927 1.00 0.00 O ATOM 0 H GLU A 100 7.422 17.430 0.192 1.00 0.00 H new ATOM 0 HA GLU A 100 7.286 17.908 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.093 19.009 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.107 19.273 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.411 20.063 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.980 20.559 -0.366 1.00 0.00 H new ATOM 1312 N GLY A 101 8.137 15.700 -2.868 1.00 0.00 N ATOM 1313 CA GLY A 101 8.627 14.566 -3.622 1.00 0.00 C ATOM 1314 C GLY A 101 7.526 13.573 -3.914 1.00 0.00 C ATOM 1315 O GLY A 101 7.056 12.870 -3.020 1.00 0.00 O ATOM 0 H GLY A 101 7.133 15.689 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.063 14.913 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.423 14.074 -3.063 1.00 0.00 H new ATOM 1319 N THR A 102 7.104 13.527 -5.169 1.00 0.00 N ATOM 1320 CA THR A 102 6.039 12.625 -5.583 1.00 0.00 C ATOM 1321 C THR A 102 6.506 11.174 -5.580 1.00 0.00 C ATOM 1322 O THR A 102 7.382 10.788 -6.353 1.00 0.00 O ATOM 1323 CB THR A 102 5.535 13.004 -6.977 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.252 14.389 -7.048 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.284 12.256 -7.385 1.00 0.00 C ATOM 0 H THR A 102 7.483 14.104 -5.919 1.00 0.00 H new ATOM 0 HA THR A 102 5.225 12.722 -4.865 1.00 0.00 H new ATOM 0 HB THR A 102 6.340 12.731 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.933 14.612 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.980 12.572 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.486 11.185 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.484 12.472 -6.677 1.00 0.00 H new ATOM 1333 N VAL A 103 5.902 10.374 -4.708 1.00 0.00 N ATOM 1334 CA VAL A 103 6.234 8.959 -4.602 1.00 0.00 C ATOM 1335 C VAL A 103 5.281 8.133 -5.457 1.00 0.00 C ATOM 1336 O VAL A 103 4.063 8.234 -5.317 1.00 0.00 O ATOM 1337 CB VAL A 103 6.156 8.467 -3.140 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.869 7.133 -2.980 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.728 9.504 -2.187 1.00 0.00 C ATOM 0 H VAL A 103 5.176 10.684 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 103 7.257 8.834 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 103 5.105 8.322 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.801 6.806 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.401 6.390 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.917 7.245 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.662 9.134 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.772 9.692 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.161 10.431 -2.275 1.00 0.00 H new ATOM 1349 N SER A 104 5.838 7.324 -6.351 1.00 0.00 N ATOM 1350 CA SER A 104 5.024 6.496 -7.233 1.00 0.00 C ATOM 1351 C SER A 104 4.628 5.195 -6.549 1.00 0.00 C ATOM 1352 O SER A 104 5.471 4.493 -5.992 1.00 0.00 O ATOM 1353 CB SER A 104 5.781 6.196 -8.529 1.00 0.00 C ATOM 1354 OG SER A 104 7.141 5.894 -8.268 1.00 0.00 O ATOM 0 H SER A 104 6.844 7.224 -6.484 1.00 0.00 H new ATOM 0 HA SER A 104 4.115 7.049 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.311 5.357 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.718 7.055 -9.198 1.00 0.00 H new ATOM 0 HG SER A 104 7.602 5.705 -9.112 1.00 0.00 H new ATOM 1360 N LEU A 105 3.338 4.882 -6.588 1.00 0.00 N ATOM 1361 CA LEU A 105 2.830 3.666 -5.967 1.00 0.00 C ATOM 1362 C LEU A 105 1.839 2.954 -6.881 1.00 0.00 C ATOM 1363 O LEU A 105 0.716 3.420 -7.077 1.00 0.00 O ATOM 1364 CB LEU A 105 2.153 3.989 -4.633 1.00 0.00 C ATOM 1365 CG LEU A 105 2.874 5.028 -3.771 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.872 5.972 -3.123 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.723 4.342 -2.711 1.00 0.00 C ATOM 0 H LEU A 105 2.626 5.453 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 105 3.679 3.005 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.142 4.345 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.058 3.067 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 105 3.531 5.613 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.403 6.704 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.304 6.488 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.190 5.402 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.229 5.095 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.084 3.733 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.465 3.706 -3.194 1.00 0.00 H new ATOM 1379 N LEU A 106 2.255 1.818 -7.425 1.00 0.00 N ATOM 1380 CA LEU A 106 1.393 1.036 -8.301 1.00 0.00 C ATOM 1381 C LEU A 106 0.476 0.151 -7.467 1.00 0.00 C ATOM 1382 O LEU A 106 0.928 -0.793 -6.824 1.00 0.00 O ATOM 1383 CB LEU A 106 2.230 0.177 -9.250 1.00 0.00 C ATOM 1384 CG LEU A 106 1.426 -0.648 -10.256 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.909 0.237 -11.379 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.273 -1.781 -10.814 1.00 0.00 C ATOM 0 H LEU A 106 3.181 1.418 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 106 0.788 1.719 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.911 0.827 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.844 -0.500 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 106 0.570 -1.082 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.339 -0.367 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.266 1.013 -10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.751 0.700 -11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.685 -2.357 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.149 -1.368 -11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.594 -2.431 -10.000 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.813 0.468 -7.471 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.784 -0.294 -6.700 1.00 0.00 C ATOM 1400 C VAL A 107 -2.636 -1.184 -7.598 1.00 0.00 C ATOM 1401 O VAL A 107 -2.566 -1.094 -8.824 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.708 0.638 -5.886 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.885 1.612 -5.058 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.665 1.389 -6.803 1.00 0.00 C ATOM 0 H VAL A 107 -1.208 1.246 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.216 -0.923 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.301 0.023 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.552 2.261 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.248 1.057 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.265 2.218 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.305 2.039 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.094 1.991 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.281 0.675 -7.349 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.443 -2.037 -6.979 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.316 -2.937 -7.718 1.00 0.00 C ATOM 1416 C PHE A 108 -5.720 -2.931 -7.124 1.00 0.00 C ATOM 1417 O PHE A 108 -5.908 -3.240 -5.947 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.745 -4.360 -7.714 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.644 -5.375 -8.365 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.756 -5.864 -7.697 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.376 -5.840 -9.643 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.584 -6.796 -8.292 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.201 -6.772 -10.243 1.00 0.00 C ATOM 1424 CZ PHE A 108 -6.307 -7.251 -9.567 1.00 0.00 C ATOM 0 H PHE A 108 -3.510 -2.123 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.375 -2.587 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.783 -4.357 -8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.556 -4.663 -6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.977 -5.512 -6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.513 -5.470 -10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.447 -7.169 -7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.982 -7.126 -11.240 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.953 -7.979 -10.034 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.702 -2.574 -7.944 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.089 -2.523 -7.495 1.00 0.00 C ATOM 1436 C ARG A 109 -8.876 -3.721 -8.019 1.00 0.00 C ATOM 1437 O ARG A 109 -8.697 -4.144 -9.160 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.748 -1.221 -7.956 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.411 -0.443 -6.831 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.572 0.397 -7.339 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.581 1.734 -6.749 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.809 2.734 -7.168 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -8.965 2.555 -8.177 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -9.881 3.918 -6.576 1.00 0.00 N ATOM 0 H ARG A 109 -6.564 -2.316 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.094 -2.558 -6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.995 -0.590 -8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.494 -1.451 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.769 -1.137 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.675 0.204 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.511 0.480 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.511 -0.107 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.216 1.911 -5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.905 1.646 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.377 3.326 -8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.528 4.062 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.290 4.685 -6.896 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.747 -4.263 -7.173 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.562 -5.412 -7.549 1.00 0.00 C ATOM 1460 C GLN A 110 -11.865 -4.961 -8.200 1.00 0.00 C ATOM 1461 O GLN A 110 -12.392 -3.895 -7.883 1.00 0.00 O ATOM 1462 CB GLN A 110 -10.864 -6.272 -6.320 1.00 0.00 C ATOM 1463 CG GLN A 110 -11.440 -5.485 -5.154 1.00 0.00 C ATOM 1464 CD GLN A 110 -11.986 -6.381 -4.060 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -11.930 -7.606 -4.159 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -12.520 -5.770 -3.008 1.00 0.00 N ATOM 0 H GLN A 110 -9.906 -3.925 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.001 -6.006 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -11.566 -7.057 -6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -9.947 -6.765 -5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -10.666 -4.840 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.236 -4.835 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.545 -4.751 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.905 -6.320 -2.240 1.00 0.00 H new ATOM 1475 N GLU A 111 -12.380 -5.780 -9.111 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.622 -5.463 -9.806 1.00 0.00 C ATOM 1477 C GLU A 111 -14.831 -5.845 -8.959 1.00 0.00 C ATOM 1478 O GLU A 111 -14.691 -6.457 -7.900 1.00 0.00 O ATOM 1479 CB GLU A 111 -13.677 -6.187 -11.153 1.00 0.00 C ATOM 1480 CG GLU A 111 -14.388 -5.396 -12.238 1.00 0.00 C ATOM 1481 CD GLU A 111 -15.702 -6.028 -12.657 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -15.673 -6.984 -13.459 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -16.761 -5.565 -12.182 1.00 0.00 O ATOM 0 H GLU A 111 -11.957 -6.667 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.648 -4.387 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.661 -6.406 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.182 -7.144 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.574 -4.383 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.736 -5.312 -13.108 1.00 0.00 H new ATOM 1490 N GLU A 112 -16.018 -5.479 -9.432 1.00 0.00 N ATOM 1491 CA GLU A 112 -17.252 -5.784 -8.717 1.00 0.00 C ATOM 1492 C GLU A 112 -17.922 -7.026 -9.294 1.00 0.00 C ATOM 1493 O GLU A 112 -19.148 -7.113 -9.351 1.00 0.00 O ATOM 1494 CB GLU A 112 -18.210 -4.591 -8.784 1.00 0.00 C ATOM 1495 CG GLU A 112 -18.759 -4.179 -7.428 1.00 0.00 C ATOM 1496 CD GLU A 112 -19.621 -2.933 -7.504 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -20.406 -2.813 -8.468 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -19.512 -2.079 -6.599 1.00 0.00 O ATOM 0 H GLU A 112 -16.151 -4.971 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 112 -17.002 -5.982 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -17.691 -3.743 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -19.041 -4.839 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -19.346 -4.998 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -17.930 -4.002 -6.743 1.00 0.00 H new ATOM 1505 N ALA A 113 -17.109 -7.986 -9.724 1.00 0.00 N ATOM 1506 CA ALA A 113 -17.622 -9.223 -10.297 1.00 0.00 C ATOM 1507 C ALA A 113 -17.729 -10.317 -9.239 1.00 0.00 C ATOM 1508 O ALA A 113 -17.341 -11.461 -9.470 1.00 0.00 O ATOM 1509 CB ALA A 113 -16.735 -9.680 -11.444 1.00 0.00 C ATOM 0 H ALA A 113 -16.091 -7.930 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 113 -18.623 -9.028 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -17.130 -10.606 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -16.715 -8.912 -12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -15.723 -9.851 -11.076 1.00 0.00 H new TER 1515 ALA A 113