USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 900 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 64 GLN :FLIP amide:sc= -0.951 F(o=-14,f=-13) USER MOD Set 1.2: A 78 HIS : no HE2:sc= -11.9! C(o=-13!,f=-14!) USER MOD Set 2.1: A 66 GLN : amide:sc= -2.02 K(o=-3.2,f=-5.5!) USER MOD Set 2.2: A 76 ASN : amide:sc= -1.18 K(o=-3.2,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.18 (180deg=-1.76!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.485) USER MOD Single : A 20 GLN : amide:sc= -2.88 K(o=-2.9,f=-3.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 161:sc= -10.1! (180deg=-13.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 51:sc= 0.0996 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -9.97! C(o=-15!,f=-10!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -133:sc= -3.5! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 63:sc= -2.28! USER MOD Single : A 53 GLN :FLIP amide:sc= -15.2! C(o=-16!,f=-15!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-8.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.488 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -16! C(o=-16!,f=-21!) USER MOD Single : A 83 SER OG : rot 180:sc= -1.03 USER MOD Single : A 84 THR OG1 : rot -67:sc= 0.00432 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0.159 (180deg=0.042) USER MOD Single : A 97 GLN :FLIP amide:sc= -7.59! C(o=-13!,f=-7.6!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.0341 (180deg=-0.336) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.562 -14.566 -6.793 1.00 0.00 N ATOM 2 CA MET A 1 -21.081 -14.661 -6.920 1.00 0.00 C ATOM 3 C MET A 1 -20.726 -15.746 -7.939 1.00 0.00 C ATOM 4 O MET A 1 -21.393 -16.756 -8.043 1.00 0.00 O ATOM 5 CB MET A 1 -20.475 -15.020 -5.561 1.00 0.00 C ATOM 6 CG MET A 1 -21.358 -16.056 -4.865 1.00 0.00 C ATOM 7 SD MET A 1 -22.336 -15.247 -3.575 1.00 0.00 S ATOM 8 CE MET A 1 -22.188 -16.549 -2.328 1.00 0.00 C ATOM 0 H1 MET A 1 -22.811 -14.308 -5.817 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.920 -13.840 -7.445 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.990 -15.484 -7.028 1.00 0.00 H new ATOM 0 HA MET A 1 -20.682 -13.703 -7.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.468 -15.415 -5.693 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.388 -14.127 -4.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.017 -16.534 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.741 -16.842 -4.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.729 -16.254 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.610 -17.476 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.137 -16.703 -2.085 1.00 0.00 H new ATOM 20 N ALA A 2 -19.678 -15.546 -8.691 1.00 0.00 N ATOM 21 CA ALA A 2 -19.292 -16.539 -9.675 1.00 0.00 C ATOM 22 C ALA A 2 -17.768 -16.685 -9.680 1.00 0.00 C ATOM 23 O ALA A 2 -17.094 -16.277 -8.755 1.00 0.00 O ATOM 24 CB ALA A 2 -19.768 -16.100 -11.060 1.00 0.00 C ATOM 0 H ALA A 2 -19.080 -14.721 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.748 -17.496 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.477 -16.847 -11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.853 -15.997 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.314 -15.142 -11.314 1.00 0.00 H new ATOM 30 N THR A 3 -17.221 -17.263 -10.713 1.00 0.00 N ATOM 31 CA THR A 3 -15.782 -17.429 -10.774 1.00 0.00 C ATOM 32 C THR A 3 -15.100 -16.116 -10.382 1.00 0.00 C ATOM 33 O THR A 3 -14.257 -16.080 -9.507 1.00 0.00 O ATOM 34 CB THR A 3 -15.371 -17.815 -12.196 1.00 0.00 C ATOM 35 OG1 THR A 3 -16.396 -17.434 -13.103 1.00 0.00 O ATOM 36 CG2 THR A 3 -15.153 -19.326 -12.274 1.00 0.00 C ATOM 0 H THR A 3 -17.734 -17.625 -11.517 1.00 0.00 H new ATOM 0 HA THR A 3 -15.478 -18.216 -10.084 1.00 0.00 H new ATOM 0 HB THR A 3 -14.445 -17.304 -12.458 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.134 -17.679 -14.015 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.860 -19.600 -13.288 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.366 -19.616 -11.578 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.077 -19.841 -12.012 1.00 0.00 H new ATOM 44 N SER A 4 -15.458 -15.037 -11.023 1.00 0.00 N ATOM 45 CA SER A 4 -14.846 -13.763 -10.697 1.00 0.00 C ATOM 46 C SER A 4 -14.862 -13.563 -9.179 1.00 0.00 C ATOM 47 O SER A 4 -15.870 -13.754 -8.528 1.00 0.00 O ATOM 48 CB SER A 4 -15.625 -12.634 -11.371 1.00 0.00 C ATOM 49 OG SER A 4 -15.905 -12.996 -12.717 1.00 0.00 O ATOM 0 H SER A 4 -16.158 -15.005 -11.764 1.00 0.00 H new ATOM 0 HA SER A 4 -13.816 -13.753 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.554 -12.445 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.047 -11.710 -11.343 1.00 0.00 H new ATOM 0 HG SER A 4 -16.406 -12.275 -13.152 1.00 0.00 H new ATOM 55 N SER A 5 -13.751 -13.179 -8.611 1.00 0.00 N ATOM 56 CA SER A 5 -13.701 -12.972 -7.176 1.00 0.00 C ATOM 57 C SER A 5 -13.346 -11.509 -6.888 1.00 0.00 C ATOM 58 O SER A 5 -13.767 -10.612 -7.591 1.00 0.00 O ATOM 59 CB SER A 5 -12.643 -13.893 -6.568 1.00 0.00 C ATOM 60 OG SER A 5 -12.807 -15.205 -7.090 1.00 0.00 O ATOM 0 H SER A 5 -12.876 -13.003 -9.105 1.00 0.00 H new ATOM 0 HA SER A 5 -14.671 -13.201 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.645 -13.520 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.737 -13.907 -5.482 1.00 0.00 H new ATOM 0 HG SER A 5 -12.129 -15.798 -6.704 1.00 0.00 H new ATOM 66 N GLU A 6 -12.575 -11.256 -5.863 1.00 0.00 N ATOM 67 CA GLU A 6 -12.214 -9.887 -5.554 1.00 0.00 C ATOM 68 C GLU A 6 -11.413 -9.298 -6.716 1.00 0.00 C ATOM 69 O GLU A 6 -10.879 -10.010 -7.542 1.00 0.00 O ATOM 70 CB GLU A 6 -11.370 -9.845 -4.281 1.00 0.00 C ATOM 71 CG GLU A 6 -12.005 -10.745 -3.220 1.00 0.00 C ATOM 72 CD GLU A 6 -11.266 -12.083 -3.174 1.00 0.00 C ATOM 73 OE1 GLU A 6 -10.922 -12.584 -4.233 1.00 0.00 O ATOM 74 OE2 GLU A 6 -11.055 -12.583 -2.082 1.00 0.00 O ATOM 0 H GLU A 6 -12.188 -11.961 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.122 -9.303 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.354 -10.177 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.300 -8.822 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.962 -10.261 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.058 -10.907 -3.449 1.00 0.00 H new ATOM 81 N GLU A 7 -11.315 -8.001 -6.772 1.00 0.00 N ATOM 82 CA GLU A 7 -10.556 -7.374 -7.835 1.00 0.00 C ATOM 83 C GLU A 7 -9.416 -6.564 -7.221 1.00 0.00 C ATOM 84 O GLU A 7 -9.651 -5.591 -6.532 1.00 0.00 O ATOM 85 CB GLU A 7 -11.469 -6.445 -8.639 1.00 0.00 C ATOM 86 CG GLU A 7 -12.607 -7.256 -9.259 1.00 0.00 C ATOM 87 CD GLU A 7 -12.650 -7.006 -10.768 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.669 -7.308 -11.427 1.00 0.00 O ATOM 89 OE2 GLU A 7 -13.664 -6.516 -11.239 1.00 0.00 O ATOM 0 H GLU A 7 -11.742 -7.357 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.150 -8.139 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.874 -5.667 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.898 -5.944 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.461 -8.318 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.557 -6.974 -8.806 1.00 0.00 H new ATOM 96 N VAL A 8 -8.187 -6.959 -7.416 1.00 0.00 N ATOM 97 CA VAL A 8 -7.092 -6.234 -6.806 1.00 0.00 C ATOM 98 C VAL A 8 -6.472 -5.281 -7.829 1.00 0.00 C ATOM 99 O VAL A 8 -6.603 -5.451 -9.025 1.00 0.00 O ATOM 100 CB VAL A 8 -6.032 -7.221 -6.304 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.720 -8.402 -5.618 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.199 -7.735 -7.482 1.00 0.00 C ATOM 0 H VAL A 8 -7.915 -7.764 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.469 -5.657 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.378 -6.713 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.967 -9.104 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.308 -8.041 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.376 -8.904 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.448 -8.436 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.850 -8.240 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.705 -6.896 -7.972 1.00 0.00 H new ATOM 112 N LEU A 9 -5.851 -4.245 -7.348 1.00 0.00 N ATOM 113 CA LEU A 9 -5.292 -3.252 -8.250 1.00 0.00 C ATOM 114 C LEU A 9 -3.781 -3.457 -8.472 1.00 0.00 C ATOM 115 O LEU A 9 -3.342 -3.484 -9.605 1.00 0.00 O ATOM 116 CB LEU A 9 -5.539 -1.857 -7.674 1.00 0.00 C ATOM 117 CG LEU A 9 -4.725 -0.825 -8.458 1.00 0.00 C ATOM 118 CD1 LEU A 9 -4.992 -0.995 -9.955 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.136 0.583 -8.025 1.00 0.00 C ATOM 0 H LEU A 9 -5.714 -4.057 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.784 -3.361 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.600 -1.614 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.258 -1.833 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.664 -0.972 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.412 -0.260 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.701 -1.999 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.053 -0.848 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.557 1.319 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.197 0.730 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.947 0.705 -6.958 1.00 0.00 H new ATOM 131 N LEU A 10 -2.961 -3.602 -7.459 1.00 0.00 N ATOM 132 CA LEU A 10 -1.548 -3.790 -7.762 1.00 0.00 C ATOM 133 C LEU A 10 -0.823 -4.439 -6.591 1.00 0.00 C ATOM 134 O LEU A 10 -1.165 -4.238 -5.444 1.00 0.00 O ATOM 135 CB LEU A 10 -0.901 -2.442 -8.074 1.00 0.00 C ATOM 136 CG LEU A 10 0.598 -2.639 -8.308 1.00 0.00 C ATOM 137 CD1 LEU A 10 1.044 -1.800 -9.506 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.371 -2.200 -7.063 1.00 0.00 C ATOM 0 H LEU A 10 -3.217 -3.596 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.470 -4.446 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.363 -2.000 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.063 -1.749 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 10 0.798 -3.692 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.112 -1.941 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.495 -2.113 -10.394 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.844 -0.747 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.439 -2.340 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.170 -1.148 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.055 -2.799 -6.209 1.00 0.00 H new ATOM 150 N ILE A 11 0.183 -5.223 -6.875 1.00 0.00 N ATOM 151 CA ILE A 11 0.908 -5.870 -5.803 1.00 0.00 C ATOM 152 C ILE A 11 2.404 -5.882 -6.082 1.00 0.00 C ATOM 153 O ILE A 11 2.864 -5.908 -7.206 1.00 0.00 O ATOM 154 CB ILE A 11 0.422 -7.309 -5.642 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.512 -8.195 -4.993 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.074 -7.880 -7.017 1.00 0.00 C ATOM 157 CD1 ILE A 11 1.712 -7.861 -3.519 1.00 0.00 C ATOM 0 H ILE A 11 0.517 -5.429 -7.816 1.00 0.00 H new ATOM 0 HA ILE A 11 0.725 -5.308 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.456 -7.305 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.234 -9.244 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.453 -8.062 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.273 -8.907 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.712 -7.278 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.959 -7.862 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.486 -8.506 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.016 -6.819 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.778 -8.019 -2.980 1.00 0.00 H new ATOM 169 N VAL A 12 3.142 -5.862 -5.026 1.00 0.00 N ATOM 170 CA VAL A 12 4.578 -5.870 -5.139 1.00 0.00 C ATOM 171 C VAL A 12 5.187 -6.870 -4.149 1.00 0.00 C ATOM 172 O VAL A 12 5.140 -6.715 -2.944 1.00 0.00 O ATOM 173 CB VAL A 12 5.134 -4.460 -4.929 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.596 -3.538 -6.025 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.705 -3.911 -3.581 1.00 0.00 C ATOM 0 H VAL A 12 2.785 -5.840 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 12 4.854 -6.191 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 12 6.222 -4.507 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.989 -2.532 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.907 -3.912 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.507 -3.512 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.111 -2.908 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.617 -3.871 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.079 -4.559 -2.788 1.00 0.00 H new ATOM 185 N LYS A 13 5.769 -7.889 -4.704 1.00 0.00 N ATOM 186 CA LYS A 13 6.422 -8.945 -3.948 1.00 0.00 C ATOM 187 C LYS A 13 7.539 -8.382 -3.086 1.00 0.00 C ATOM 188 O LYS A 13 8.009 -9.000 -2.152 1.00 0.00 O ATOM 189 CB LYS A 13 6.995 -9.949 -4.939 1.00 0.00 C ATOM 190 CG LYS A 13 8.315 -9.432 -5.531 1.00 0.00 C ATOM 191 CD LYS A 13 8.199 -9.377 -7.055 1.00 0.00 C ATOM 192 CE LYS A 13 8.403 -10.777 -7.636 1.00 0.00 C ATOM 193 NZ LYS A 13 8.970 -10.665 -9.009 1.00 0.00 N ATOM 0 H LYS A 13 5.811 -8.024 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 13 5.698 -9.423 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.163 -10.904 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.277 -10.129 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.541 -8.441 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.138 -10.086 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.220 -8.992 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.942 -8.692 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.075 -11.353 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.454 -11.313 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.109 -11.616 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.313 -10.131 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.884 -10.170 -8.968 1.00 0.00 H new ATOM 207 N LYS A 14 7.963 -7.219 -3.411 1.00 0.00 N ATOM 208 CA LYS A 14 9.030 -6.610 -2.652 1.00 0.00 C ATOM 209 C LYS A 14 8.556 -5.312 -1.980 1.00 0.00 C ATOM 210 O LYS A 14 8.230 -4.346 -2.638 1.00 0.00 O ATOM 211 CB LYS A 14 10.198 -6.318 -3.590 1.00 0.00 C ATOM 212 CG LYS A 14 11.515 -6.620 -2.872 1.00 0.00 C ATOM 213 CD LYS A 14 11.516 -8.072 -2.391 1.00 0.00 C ATOM 214 CE LYS A 14 12.948 -8.609 -2.404 1.00 0.00 C ATOM 215 NZ LYS A 14 12.940 -10.037 -2.829 1.00 0.00 N ATOM 0 H LYS A 14 7.604 -6.661 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 14 9.345 -7.297 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.115 -6.925 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.174 -5.275 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.355 -6.449 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.642 -5.946 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.102 -8.134 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.881 -8.681 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.562 -8.020 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.391 -8.516 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.914 -10.402 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.367 -10.594 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.533 -10.113 -3.783 1.00 0.00 H new ATOM 229 N VAL A 15 8.661 -5.246 -0.672 1.00 0.00 N ATOM 230 CA VAL A 15 8.381 -3.999 -0.001 1.00 0.00 C ATOM 231 C VAL A 15 9.198 -3.947 1.267 1.00 0.00 C ATOM 232 O VAL A 15 9.552 -4.956 1.843 1.00 0.00 O ATOM 233 CB VAL A 15 6.895 -3.763 0.246 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.707 -2.669 1.298 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.290 -3.277 -1.056 1.00 0.00 C ATOM 0 H VAL A 15 8.931 -6.020 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 15 8.672 -3.177 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 15 6.423 -4.682 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.643 -2.507 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.181 -2.976 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.163 -1.744 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.224 -3.097 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.778 -2.351 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.433 -4.033 -1.828 1.00 0.00 H new ATOM 245 N ARG A 16 9.521 -2.782 1.687 1.00 0.00 N ATOM 246 CA ARG A 16 10.319 -2.638 2.865 1.00 0.00 C ATOM 247 C ARG A 16 9.593 -1.776 3.864 1.00 0.00 C ATOM 248 O ARG A 16 9.139 -0.700 3.562 1.00 0.00 O ATOM 249 CB ARG A 16 11.621 -1.943 2.479 1.00 0.00 C ATOM 250 CG ARG A 16 12.606 -2.035 3.631 1.00 0.00 C ATOM 251 CD ARG A 16 12.994 -3.493 3.818 1.00 0.00 C ATOM 252 NE ARG A 16 12.565 -3.935 5.131 1.00 0.00 N ATOM 253 CZ ARG A 16 12.934 -3.294 6.212 1.00 0.00 C ATOM 254 NH1 ARG A 16 13.808 -2.324 6.140 1.00 0.00 N ATOM 255 NH2 ARG A 16 12.464 -3.647 7.377 1.00 0.00 N ATOM 0 H ARG A 16 9.249 -1.907 1.239 1.00 0.00 H new ATOM 0 HA ARG A 16 10.516 -3.617 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.043 -2.408 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.429 -0.899 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.490 -1.431 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.159 -1.642 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.532 -4.107 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 16 14.073 -3.611 3.716 1.00 0.00 H new ATOM 0 HE ARG A 16 11.967 -4.757 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.207 -2.063 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.091 -1.829 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.807 -4.424 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.753 -3.146 8.217 1.00 0.00 H new ATOM 269 N GLN A 17 9.515 -2.227 5.061 1.00 0.00 N ATOM 270 CA GLN A 17 8.887 -1.446 6.076 1.00 0.00 C ATOM 271 C GLN A 17 9.791 -1.581 7.294 1.00 0.00 C ATOM 272 O GLN A 17 10.262 -2.660 7.586 1.00 0.00 O ATOM 273 CB GLN A 17 7.465 -1.966 6.329 1.00 0.00 C ATOM 274 CG GLN A 17 7.501 -3.284 7.075 1.00 0.00 C ATOM 275 CD GLN A 17 6.069 -3.739 7.361 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.543 -4.596 6.679 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.412 -3.197 8.350 1.00 0.00 N ATOM 0 H GLN A 17 9.875 -3.130 5.368 1.00 0.00 H new ATOM 0 HA GLN A 17 8.771 -0.397 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.901 -1.232 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.945 -2.094 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.023 -4.036 6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.053 -3.172 8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.854 -2.478 8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.457 -3.493 8.551 1.00 0.00 H new ATOM 286 N LYS A 18 10.140 -0.486 7.921 1.00 0.00 N ATOM 287 CA LYS A 18 11.104 -0.533 9.016 1.00 0.00 C ATOM 288 C LYS A 18 10.929 -1.799 9.861 1.00 0.00 C ATOM 289 O LYS A 18 11.859 -2.251 10.498 1.00 0.00 O ATOM 290 CB LYS A 18 10.922 0.698 9.903 1.00 0.00 C ATOM 291 CG LYS A 18 12.111 1.642 9.713 1.00 0.00 C ATOM 292 CD LYS A 18 11.728 2.756 8.737 1.00 0.00 C ATOM 293 CE LYS A 18 12.625 2.685 7.500 1.00 0.00 C ATOM 294 NZ LYS A 18 11.800 2.347 6.307 1.00 0.00 N ATOM 0 H LYS A 18 9.782 0.444 7.703 1.00 0.00 H new ATOM 0 HA LYS A 18 12.106 -0.546 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.994 1.209 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.845 0.398 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.406 2.069 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.970 1.090 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.682 2.655 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.833 3.728 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.129 3.639 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.401 1.933 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.410 2.299 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.338 1.427 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.075 3.079 6.167 1.00 0.00 H new ATOM 308 N LYS A 19 9.777 -2.399 9.856 1.00 0.00 N ATOM 309 CA LYS A 19 9.611 -3.612 10.617 1.00 0.00 C ATOM 310 C LYS A 19 10.304 -4.789 9.899 1.00 0.00 C ATOM 311 O LYS A 19 11.088 -5.517 10.475 1.00 0.00 O ATOM 312 CB LYS A 19 8.085 -3.905 10.783 1.00 0.00 C ATOM 313 CG LYS A 19 7.591 -5.051 9.849 1.00 0.00 C ATOM 314 CD LYS A 19 6.178 -5.485 10.232 1.00 0.00 C ATOM 315 CE LYS A 19 6.241 -6.455 11.413 1.00 0.00 C ATOM 316 NZ LYS A 19 5.284 -7.574 11.187 1.00 0.00 N ATOM 0 H LYS A 19 8.951 -2.082 9.347 1.00 0.00 H new ATOM 0 HA LYS A 19 10.068 -3.492 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.881 -4.172 11.820 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.519 -2.998 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.605 -4.714 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.270 -5.901 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.578 -4.614 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.690 -5.962 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.253 -6.844 11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.996 -5.934 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.056 -8.025 12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.413 -7.204 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.714 -8.275 10.551 1.00 0.00 H new ATOM 330 N GLN A 20 9.911 -5.033 8.684 1.00 0.00 N ATOM 331 CA GLN A 20 10.380 -6.178 7.949 1.00 0.00 C ATOM 332 C GLN A 20 10.351 -5.879 6.452 1.00 0.00 C ATOM 333 O GLN A 20 9.744 -4.927 6.017 1.00 0.00 O ATOM 334 CB GLN A 20 9.464 -7.351 8.285 1.00 0.00 C ATOM 335 CG GLN A 20 9.598 -8.466 7.246 1.00 0.00 C ATOM 336 CD GLN A 20 8.832 -9.704 7.720 1.00 0.00 C ATOM 337 OE1 GLN A 20 7.854 -10.096 7.115 1.00 0.00 O ATOM 338 NE2 GLN A 20 9.239 -10.341 8.785 1.00 0.00 N ATOM 0 H GLN A 20 9.255 -4.445 8.170 1.00 0.00 H new ATOM 0 HA GLN A 20 11.408 -6.420 8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.711 -7.738 9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.430 -7.009 8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.208 -8.130 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.649 -8.712 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.060 -10.012 9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.736 -11.167 9.108 1.00 0.00 H new ATOM 347 N ASP A 21 10.945 -6.704 5.653 1.00 0.00 N ATOM 348 CA ASP A 21 10.866 -6.471 4.237 1.00 0.00 C ATOM 349 C ASP A 21 9.885 -7.546 3.814 1.00 0.00 C ATOM 350 O ASP A 21 9.994 -8.700 4.179 1.00 0.00 O ATOM 351 CB ASP A 21 12.218 -6.681 3.540 1.00 0.00 C ATOM 352 CG ASP A 21 13.365 -6.432 4.524 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.331 -7.001 5.603 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.264 -5.684 4.178 1.00 0.00 O ATOM 0 H ASP A 21 11.478 -7.525 5.939 1.00 0.00 H new ATOM 0 HA ASP A 21 10.575 -5.452 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.279 -7.696 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.306 -6.005 2.689 1.00 0.00 H new ATOM 359 N GLY A 22 8.883 -7.140 3.103 1.00 0.00 N ATOM 360 CA GLY A 22 7.851 -8.062 2.717 1.00 0.00 C ATOM 361 C GLY A 22 7.054 -7.502 1.549 1.00 0.00 C ATOM 362 O GLY A 22 7.220 -6.360 1.168 1.00 0.00 O ATOM 0 H GLY A 22 8.752 -6.182 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.294 -9.018 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.188 -8.251 3.561 1.00 0.00 H new ATOM 366 N ALA A 23 6.284 -8.328 0.908 1.00 0.00 N ATOM 367 CA ALA A 23 5.557 -7.900 -0.259 1.00 0.00 C ATOM 368 C ALA A 23 4.233 -7.220 0.115 1.00 0.00 C ATOM 369 O ALA A 23 3.516 -7.612 1.012 1.00 0.00 O ATOM 370 CB ALA A 23 5.230 -9.130 -1.101 1.00 0.00 C ATOM 0 H ALA A 23 6.140 -9.303 1.169 1.00 0.00 H new ATOM 0 HA ALA A 23 6.176 -7.186 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.679 -8.826 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.155 -9.624 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.622 -9.820 -0.516 1.00 0.00 H new ATOM 376 N LEU A 24 3.995 -6.140 -0.561 1.00 0.00 N ATOM 377 CA LEU A 24 2.828 -5.321 -0.277 1.00 0.00 C ATOM 378 C LEU A 24 1.809 -5.493 -1.410 1.00 0.00 C ATOM 379 O LEU A 24 2.128 -5.425 -2.580 1.00 0.00 O ATOM 380 CB LEU A 24 3.257 -3.851 -0.170 1.00 0.00 C ATOM 381 CG LEU A 24 3.063 -3.329 1.247 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.179 -1.805 1.216 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.683 -3.717 1.771 1.00 0.00 C ATOM 0 H LEU A 24 4.586 -5.793 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 24 2.373 -5.628 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.304 -3.752 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.676 -3.247 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 24 3.819 -3.760 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.043 -1.409 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.164 -1.523 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.413 -1.395 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.559 -3.337 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.915 -3.289 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.588 -4.803 1.776 1.00 0.00 H new ATOM 395 N TYR A 25 0.576 -5.731 -1.023 1.00 0.00 N ATOM 396 CA TYR A 25 -0.522 -5.945 -1.955 1.00 0.00 C ATOM 397 C TYR A 25 -1.483 -4.776 -1.877 1.00 0.00 C ATOM 398 O TYR A 25 -1.910 -4.407 -0.803 1.00 0.00 O ATOM 399 CB TYR A 25 -1.318 -7.178 -1.498 1.00 0.00 C ATOM 400 CG TYR A 25 -0.678 -8.457 -1.962 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.884 -8.891 -3.265 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.099 -9.220 -1.080 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.305 -10.085 -3.706 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.677 -10.419 -1.517 1.00 0.00 C ATOM 405 CZ TYR A 25 0.479 -10.849 -2.833 1.00 0.00 C ATOM 406 OH TYR A 25 1.046 -12.029 -3.267 1.00 0.00 O ATOM 0 H TYR A 25 0.298 -5.783 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.117 -6.063 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.391 -7.181 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.335 -7.119 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.492 -8.306 -3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.252 -8.884 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.463 -10.418 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.274 -11.010 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 25 1.559 -12.433 -2.537 1.00 0.00 H new ATOM 416 N LEU A 26 -1.886 -4.201 -2.971 1.00 0.00 N ATOM 417 CA LEU A 26 -2.843 -3.128 -2.879 1.00 0.00 C ATOM 418 C LEU A 26 -4.150 -3.671 -3.449 1.00 0.00 C ATOM 419 O LEU A 26 -4.179 -4.204 -4.551 1.00 0.00 O ATOM 420 CB LEU A 26 -2.372 -1.926 -3.698 1.00 0.00 C ATOM 421 CG LEU A 26 -3.417 -0.815 -3.608 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.730 0.506 -3.270 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.136 -0.682 -4.950 1.00 0.00 C ATOM 0 H LEU A 26 -1.581 -4.444 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.966 -2.795 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.412 -1.570 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.221 -2.216 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.139 -1.060 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.476 1.298 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.215 0.414 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.008 0.750 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.882 0.110 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.412 -0.438 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.627 -1.624 -5.194 1.00 0.00 H new ATOM 435 N MET A 27 -5.224 -3.536 -2.722 1.00 0.00 N ATOM 436 CA MET A 27 -6.493 -4.036 -3.198 1.00 0.00 C ATOM 437 C MET A 27 -7.465 -2.875 -3.348 1.00 0.00 C ATOM 438 O MET A 27 -7.344 -1.865 -2.682 1.00 0.00 O ATOM 439 CB MET A 27 -7.044 -5.048 -2.190 1.00 0.00 C ATOM 440 CG MET A 27 -8.485 -5.419 -2.549 1.00 0.00 C ATOM 441 SD MET A 27 -8.714 -7.202 -2.335 1.00 0.00 S ATOM 442 CE MET A 27 -9.373 -7.542 -3.986 1.00 0.00 C ATOM 0 H MET A 27 -5.252 -3.089 -1.806 1.00 0.00 H new ATOM 0 HA MET A 27 -6.362 -4.523 -4.164 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.421 -5.942 -2.184 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.008 -4.628 -1.185 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.182 -4.872 -1.914 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.700 -5.134 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.275 -8.605 -4.205 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.425 -7.259 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.816 -6.966 -4.726 1.00 0.00 H new ATOM 452 N ALA A 28 -8.418 -3.012 -4.229 1.00 0.00 N ATOM 453 CA ALA A 28 -9.376 -1.953 -4.456 1.00 0.00 C ATOM 454 C ALA A 28 -9.735 -1.248 -3.145 1.00 0.00 C ATOM 455 O ALA A 28 -9.643 -0.040 -3.053 1.00 0.00 O ATOM 456 CB ALA A 28 -10.642 -2.551 -5.076 1.00 0.00 C ATOM 0 H ALA A 28 -8.556 -3.844 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.934 -1.219 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.370 -1.759 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.392 -3.030 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.066 -3.290 -4.396 1.00 0.00 H new ATOM 462 N GLU A 29 -10.192 -1.954 -2.144 1.00 0.00 N ATOM 463 CA GLU A 29 -10.590 -1.284 -0.921 1.00 0.00 C ATOM 464 C GLU A 29 -9.576 -1.490 0.217 1.00 0.00 C ATOM 465 O GLU A 29 -9.824 -1.080 1.327 1.00 0.00 O ATOM 466 CB GLU A 29 -11.932 -1.881 -0.496 1.00 0.00 C ATOM 467 CG GLU A 29 -12.313 -1.426 0.920 1.00 0.00 C ATOM 468 CD GLU A 29 -13.809 -1.107 0.964 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.249 -0.312 0.149 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.489 -1.663 1.811 1.00 0.00 O ATOM 0 H GLU A 29 -10.299 -2.968 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.651 -0.212 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.708 -1.579 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.877 -2.969 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.075 -2.207 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.734 -0.546 1.200 1.00 0.00 H new ATOM 477 N ARG A 30 -8.450 -2.116 0.008 1.00 0.00 N ATOM 478 CA ARG A 30 -7.563 -2.275 1.156 1.00 0.00 C ATOM 479 C ARG A 30 -6.111 -2.531 0.769 1.00 0.00 C ATOM 480 O ARG A 30 -5.786 -2.859 -0.351 1.00 0.00 O ATOM 481 CB ARG A 30 -8.063 -3.420 2.044 1.00 0.00 C ATOM 482 CG ARG A 30 -7.533 -4.771 1.563 1.00 0.00 C ATOM 483 CD ARG A 30 -8.710 -5.720 1.353 1.00 0.00 C ATOM 484 NE ARG A 30 -9.512 -5.231 0.247 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.458 -5.976 -0.262 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.695 -7.163 0.229 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.170 -5.532 -1.262 1.00 0.00 N ATOM 0 H ARG A 30 -8.128 -2.505 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.585 -1.329 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.747 -3.249 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.153 -3.434 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.978 -4.648 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.841 -5.186 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.350 -6.727 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.313 -5.780 2.259 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.337 -4.302 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.141 -7.511 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.434 -7.742 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.988 -4.605 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.908 -6.113 -1.660 1.00 0.00 H new ATOM 501 N ILE A 31 -5.245 -2.387 1.735 1.00 0.00 N ATOM 502 CA ILE A 31 -3.833 -2.616 1.509 1.00 0.00 C ATOM 503 C ILE A 31 -3.449 -3.915 2.231 1.00 0.00 C ATOM 504 O ILE A 31 -3.876 -4.168 3.340 1.00 0.00 O ATOM 505 CB ILE A 31 -3.025 -1.416 2.051 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.827 -0.401 0.922 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.652 -1.874 2.558 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.804 -0.941 -0.080 1.00 0.00 C ATOM 0 H ILE A 31 -5.486 -2.113 2.687 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.613 -2.712 0.446 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.573 -0.965 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.776 -0.210 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.484 0.550 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.098 -1.014 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.784 -2.601 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.096 -2.333 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.664 -0.217 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.853 -1.110 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.165 -1.881 -0.497 1.00 0.00 H new ATOM 520 N ALA A 32 -2.676 -4.757 1.601 1.00 0.00 N ATOM 521 CA ALA A 32 -2.317 -6.013 2.232 1.00 0.00 C ATOM 522 C ALA A 32 -0.805 -6.188 2.285 1.00 0.00 C ATOM 523 O ALA A 32 -0.071 -5.714 1.444 1.00 0.00 O ATOM 524 CB ALA A 32 -2.938 -7.171 1.449 1.00 0.00 C ATOM 0 H ALA A 32 -2.286 -4.609 0.670 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.697 -6.006 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.669 -8.116 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.023 -7.065 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.565 -7.159 0.425 1.00 0.00 H new ATOM 530 N TRP A 33 -0.352 -6.887 3.282 1.00 0.00 N ATOM 531 CA TRP A 33 1.072 -7.118 3.402 1.00 0.00 C ATOM 532 C TRP A 33 1.359 -8.598 3.458 1.00 0.00 C ATOM 533 O TRP A 33 0.627 -9.341 4.038 1.00 0.00 O ATOM 534 CB TRP A 33 1.628 -6.492 4.661 1.00 0.00 C ATOM 535 CG TRP A 33 3.096 -6.654 4.621 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.851 -6.414 3.534 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.011 -7.124 5.655 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.166 -6.602 3.874 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.316 -7.056 5.137 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.855 -7.570 6.977 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.427 -7.400 5.870 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.983 -7.947 7.728 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.271 -7.852 7.169 1.00 0.00 C ATOM 0 H TRP A 33 -0.927 -7.303 4.015 1.00 0.00 H new ATOM 0 HA TRP A 33 1.544 -6.666 2.530 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.359 -5.437 4.717 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.212 -6.974 5.546 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.484 -6.123 2.561 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.946 -6.419 3.242 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.870 -7.624 7.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.413 -7.318 5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.860 -8.311 8.737 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.136 -8.131 7.752 1.00 0.00 H new ATOM 554 N ALA A 34 2.436 -9.020 2.875 1.00 0.00 N ATOM 555 CA ALA A 34 2.776 -10.430 2.912 1.00 0.00 C ATOM 556 C ALA A 34 4.293 -10.621 2.854 1.00 0.00 C ATOM 557 O ALA A 34 5.014 -9.718 2.498 1.00 0.00 O ATOM 558 CB ALA A 34 2.145 -11.148 1.728 1.00 0.00 C ATOM 0 H ALA A 34 3.095 -8.427 2.371 1.00 0.00 H new ATOM 0 HA ALA A 34 2.396 -10.846 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.405 -12.206 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.061 -11.039 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.516 -10.714 0.799 1.00 0.00 H new ATOM 564 N PRO A 35 4.726 -11.815 3.181 1.00 0.00 N ATOM 565 CA PRO A 35 6.178 -12.089 3.108 1.00 0.00 C ATOM 566 C PRO A 35 6.448 -13.010 1.915 1.00 0.00 C ATOM 567 O PRO A 35 5.621 -13.152 1.036 1.00 0.00 O ATOM 568 CB PRO A 35 6.546 -12.792 4.419 1.00 0.00 C ATOM 569 CG PRO A 35 5.250 -12.959 5.235 1.00 0.00 C ATOM 570 CD PRO A 35 4.111 -12.315 4.434 1.00 0.00 C ATOM 0 HA PRO A 35 6.765 -11.180 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.001 -13.762 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.277 -12.206 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.043 -14.014 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.348 -12.484 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.325 -13.040 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.651 -11.501 4.995 1.00 0.00 H new ATOM 578 N GLU A 36 7.587 -13.642 1.872 1.00 0.00 N ATOM 579 CA GLU A 36 7.873 -14.528 0.760 1.00 0.00 C ATOM 580 C GLU A 36 7.708 -15.981 1.213 1.00 0.00 C ATOM 581 O GLU A 36 8.663 -16.640 1.572 1.00 0.00 O ATOM 582 CB GLU A 36 9.305 -14.300 0.274 1.00 0.00 C ATOM 583 CG GLU A 36 9.298 -14.056 -1.236 1.00 0.00 C ATOM 584 CD GLU A 36 8.965 -15.361 -1.962 1.00 0.00 C ATOM 585 OE1 GLU A 36 8.487 -16.274 -1.309 1.00 0.00 O ATOM 586 OE2 GLU A 36 9.194 -15.425 -3.159 1.00 0.00 O ATOM 0 H GLU A 36 8.324 -13.569 2.574 1.00 0.00 H new ATOM 0 HA GLU A 36 7.181 -14.321 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.744 -13.445 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.923 -15.166 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.565 -13.290 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.271 -13.685 -1.560 1.00 0.00 H new ATOM 593 N GLY A 37 6.503 -16.485 1.204 1.00 0.00 N ATOM 594 CA GLY A 37 6.291 -17.856 1.627 1.00 0.00 C ATOM 595 C GLY A 37 4.956 -18.374 1.083 1.00 0.00 C ATOM 596 O GLY A 37 4.907 -19.363 0.378 1.00 0.00 O ATOM 0 H GLY A 37 5.663 -15.983 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.107 -18.485 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.296 -17.914 2.715 1.00 0.00 H new ATOM 600 N LYS A 38 3.872 -17.724 1.410 1.00 0.00 N ATOM 601 CA LYS A 38 2.579 -18.181 0.930 1.00 0.00 C ATOM 602 C LYS A 38 2.178 -17.395 -0.322 1.00 0.00 C ATOM 603 O LYS A 38 2.948 -16.624 -0.859 1.00 0.00 O ATOM 604 CB LYS A 38 1.526 -17.974 2.020 1.00 0.00 C ATOM 605 CG LYS A 38 1.777 -18.957 3.166 1.00 0.00 C ATOM 606 CD LYS A 38 0.459 -19.624 3.565 1.00 0.00 C ATOM 607 CE LYS A 38 0.750 -20.903 4.352 1.00 0.00 C ATOM 608 NZ LYS A 38 0.463 -22.089 3.496 1.00 0.00 N ATOM 0 H LYS A 38 3.848 -16.890 1.996 1.00 0.00 H new ATOM 0 HA LYS A 38 2.645 -19.240 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.567 -16.950 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.528 -18.125 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.501 -19.712 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.205 -18.434 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.138 -18.941 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.126 -19.857 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.792 -20.916 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.138 -20.935 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.661 -22.959 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.537 -22.078 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.065 -22.059 2.648 1.00 0.00 H new ATOM 622 N ASP A 39 0.973 -17.589 -0.789 1.00 0.00 N ATOM 623 CA ASP A 39 0.525 -16.880 -1.974 1.00 0.00 C ATOM 624 C ASP A 39 -0.637 -15.952 -1.606 1.00 0.00 C ATOM 625 O ASP A 39 -1.657 -15.926 -2.265 1.00 0.00 O ATOM 626 CB ASP A 39 0.059 -17.888 -3.027 1.00 0.00 C ATOM 627 CG ASP A 39 -0.889 -18.899 -2.381 1.00 0.00 C ATOM 628 OD1 ASP A 39 -0.411 -19.738 -1.635 1.00 0.00 O ATOM 629 OD2 ASP A 39 -2.078 -18.818 -2.643 1.00 0.00 O ATOM 0 H ASP A 39 0.287 -18.222 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 39 1.348 -16.289 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.445 -17.371 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.918 -18.403 -3.458 1.00 0.00 H new ATOM 634 N ARG A 40 -0.487 -15.190 -0.558 1.00 0.00 N ATOM 635 CA ARG A 40 -1.548 -14.287 -0.154 1.00 0.00 C ATOM 636 C ARG A 40 -0.948 -13.163 0.685 1.00 0.00 C ATOM 637 O ARG A 40 0.116 -12.662 0.380 1.00 0.00 O ATOM 638 CB ARG A 40 -2.583 -15.052 0.662 1.00 0.00 C ATOM 639 CG ARG A 40 -1.920 -15.638 1.911 1.00 0.00 C ATOM 640 CD ARG A 40 -2.969 -16.364 2.756 1.00 0.00 C ATOM 641 NE ARG A 40 -3.425 -15.486 3.817 1.00 0.00 N ATOM 642 CZ ARG A 40 -4.518 -15.764 4.477 1.00 0.00 C ATOM 643 NH1 ARG A 40 -5.205 -16.838 4.190 1.00 0.00 N ATOM 644 NH2 ARG A 40 -4.925 -14.966 5.426 1.00 0.00 N ATOM 0 H ARG A 40 0.346 -15.170 0.031 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.034 -13.864 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.399 -14.388 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.018 -15.850 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.128 -16.329 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.454 -14.844 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.810 -16.665 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.544 -17.274 3.179 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.891 -14.649 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.889 -17.463 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.058 -17.051 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.390 -14.127 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.778 -15.181 5.942 1.00 0.00 H new ATOM 658 N PHE A 41 -1.603 -12.748 1.738 1.00 0.00 N ATOM 659 CA PHE A 41 -1.026 -11.682 2.525 1.00 0.00 C ATOM 660 C PHE A 41 -0.899 -12.055 3.997 1.00 0.00 C ATOM 661 O PHE A 41 -1.305 -13.103 4.459 1.00 0.00 O ATOM 662 CB PHE A 41 -1.868 -10.410 2.456 1.00 0.00 C ATOM 663 CG PHE A 41 -2.706 -10.375 1.212 1.00 0.00 C ATOM 664 CD1 PHE A 41 -2.146 -10.671 -0.032 1.00 0.00 C ATOM 665 CD2 PHE A 41 -4.049 -10.021 1.315 1.00 0.00 C ATOM 666 CE1 PHE A 41 -2.939 -10.614 -1.185 1.00 0.00 C ATOM 667 CE2 PHE A 41 -4.847 -9.961 0.166 1.00 0.00 C ATOM 668 CZ PHE A 41 -4.291 -10.257 -1.086 1.00 0.00 C ATOM 0 H PHE A 41 -2.499 -13.111 2.064 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.038 -11.512 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.513 -10.351 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.215 -9.538 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.103 -10.943 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.475 -9.793 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.510 -10.845 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.889 -9.687 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.904 -10.210 -1.974 1.00 0.00 H new ATOM 678 N THR A 42 -0.342 -11.132 4.710 1.00 0.00 N ATOM 679 CA THR A 42 -0.132 -11.229 6.127 1.00 0.00 C ATOM 680 C THR A 42 -0.780 -9.979 6.760 1.00 0.00 C ATOM 681 O THR A 42 -0.727 -9.771 7.956 1.00 0.00 O ATOM 682 CB THR A 42 1.399 -11.238 6.381 1.00 0.00 C ATOM 683 OG1 THR A 42 1.698 -12.147 7.430 1.00 0.00 O ATOM 684 CG2 THR A 42 1.916 -9.838 6.758 1.00 0.00 C ATOM 0 H THR A 42 -0.006 -10.255 4.312 1.00 0.00 H new ATOM 0 HA THR A 42 -0.568 -12.132 6.555 1.00 0.00 H new ATOM 0 HB THR A 42 1.893 -11.547 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.665 -12.155 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.992 -9.881 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.705 -9.142 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.418 -9.499 7.666 1.00 0.00 H new ATOM 692 N ILE A 43 -1.397 -9.149 5.942 1.00 0.00 N ATOM 693 CA ILE A 43 -2.036 -7.953 6.457 1.00 0.00 C ATOM 694 C ILE A 43 -3.156 -7.521 5.519 1.00 0.00 C ATOM 695 O ILE A 43 -3.101 -7.767 4.329 1.00 0.00 O ATOM 696 CB ILE A 43 -0.985 -6.843 6.590 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.876 -6.432 8.061 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.341 -5.606 5.730 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.370 -4.995 8.148 1.00 0.00 C ATOM 0 H ILE A 43 -1.470 -9.277 4.933 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.469 -8.155 7.437 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.032 -7.232 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.848 -6.517 8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.196 -7.101 8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.572 -4.844 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.400 -5.897 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.303 -5.205 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.291 -4.700 9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.610 -4.925 7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.067 -4.332 7.635 1.00 0.00 H new ATOM 711 N SER A 44 -4.131 -6.829 6.031 1.00 0.00 N ATOM 712 CA SER A 44 -5.186 -6.351 5.171 1.00 0.00 C ATOM 713 C SER A 44 -5.965 -5.235 5.868 1.00 0.00 C ATOM 714 O SER A 44 -6.804 -5.484 6.711 1.00 0.00 O ATOM 715 CB SER A 44 -6.130 -7.502 4.824 1.00 0.00 C ATOM 716 OG SER A 44 -6.358 -8.289 5.985 1.00 0.00 O ATOM 0 H SER A 44 -4.223 -6.584 7.017 1.00 0.00 H new ATOM 0 HA SER A 44 -4.746 -5.957 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.074 -7.111 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.698 -8.116 4.034 1.00 0.00 H new ATOM 0 HG SER A 44 -6.619 -7.707 6.729 1.00 0.00 H new ATOM 722 N HIS A 45 -5.709 -4.002 5.512 1.00 0.00 N ATOM 723 CA HIS A 45 -6.438 -2.912 6.132 1.00 0.00 C ATOM 724 C HIS A 45 -7.389 -2.294 5.111 1.00 0.00 C ATOM 725 O HIS A 45 -6.963 -1.717 4.126 1.00 0.00 O ATOM 726 CB HIS A 45 -5.505 -1.803 6.614 1.00 0.00 C ATOM 727 CG HIS A 45 -4.052 -2.160 6.448 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.274 -2.375 5.337 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.193 -2.255 7.532 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -1.956 -2.594 5.723 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -1.962 -2.508 7.054 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.019 -3.726 4.813 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.974 -3.327 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.717 -0.888 6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.707 -1.594 7.665 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.612 -2.374 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.464 -2.146 8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.109 -2.791 5.082 1.00 0.00 H new ATOM 739 N MET A 46 -8.669 -2.392 5.343 1.00 0.00 N ATOM 740 CA MET A 46 -9.619 -1.816 4.421 1.00 0.00 C ATOM 741 C MET A 46 -9.452 -0.299 4.399 1.00 0.00 C ATOM 742 O MET A 46 -9.641 0.370 5.387 1.00 0.00 O ATOM 743 CB MET A 46 -11.041 -2.165 4.861 1.00 0.00 C ATOM 744 CG MET A 46 -11.692 -3.072 3.815 1.00 0.00 C ATOM 745 SD MET A 46 -11.936 -4.723 4.515 1.00 0.00 S ATOM 746 CE MET A 46 -13.335 -5.205 3.474 1.00 0.00 C ATOM 0 H MET A 46 -9.079 -2.859 6.152 1.00 0.00 H new ATOM 0 HA MET A 46 -9.441 -2.217 3.423 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.021 -2.665 5.829 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.628 -1.255 4.985 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.648 -2.654 3.500 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.062 -3.131 2.927 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.656 -6.212 3.740 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.160 -4.509 3.628 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.033 -5.185 2.427 1.00 0.00 H new ATOM 756 N TYR A 47 -9.053 0.228 3.282 1.00 0.00 N ATOM 757 CA TYR A 47 -8.841 1.656 3.169 1.00 0.00 C ATOM 758 C TYR A 47 -9.954 2.415 3.931 1.00 0.00 C ATOM 759 O TYR A 47 -9.674 3.330 4.664 1.00 0.00 O ATOM 760 CB TYR A 47 -8.809 2.050 1.686 1.00 0.00 C ATOM 761 CG TYR A 47 -7.393 1.945 1.126 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.253 2.001 1.959 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.219 1.818 -0.258 1.00 0.00 C ATOM 764 CE1 TYR A 47 -4.974 1.929 1.400 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.942 1.753 -0.805 1.00 0.00 C ATOM 766 CZ TYR A 47 -4.818 1.810 0.020 1.00 0.00 C ATOM 767 OH TYR A 47 -3.554 1.746 -0.528 1.00 0.00 O ATOM 0 H TYR A 47 -8.865 -0.301 2.430 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.885 1.927 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.478 1.403 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.177 3.069 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.370 2.099 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.083 1.770 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.104 1.966 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.820 1.658 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.497 2.358 -1.291 1.00 0.00 H new ATOM 777 N ALA A 48 -11.203 2.026 3.810 1.00 0.00 N ATOM 778 CA ALA A 48 -12.252 2.711 4.572 1.00 0.00 C ATOM 779 C ALA A 48 -12.017 2.413 6.062 1.00 0.00 C ATOM 780 O ALA A 48 -12.073 3.277 6.915 1.00 0.00 O ATOM 781 CB ALA A 48 -13.625 2.185 4.148 1.00 0.00 C ATOM 0 H ALA A 48 -11.523 1.263 3.213 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.221 3.785 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.402 2.696 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.773 2.370 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.680 1.114 4.341 1.00 0.00 H new ATOM 787 N ASP A 49 -11.700 1.180 6.338 1.00 0.00 N ATOM 788 CA ASP A 49 -11.388 0.742 7.697 1.00 0.00 C ATOM 789 C ASP A 49 -10.147 1.490 8.209 1.00 0.00 C ATOM 790 O ASP A 49 -9.757 1.361 9.352 1.00 0.00 O ATOM 791 CB ASP A 49 -11.103 -0.760 7.698 1.00 0.00 C ATOM 792 CG ASP A 49 -12.375 -1.525 7.324 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.203 -0.957 6.632 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.497 -2.667 7.735 1.00 0.00 O ATOM 0 H ASP A 49 -11.647 0.440 5.638 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.238 0.955 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.307 -0.990 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.754 -1.073 8.682 1.00 0.00 H new ATOM 799 N ILE A 50 -9.531 2.267 7.365 1.00 0.00 N ATOM 800 CA ILE A 50 -8.359 3.004 7.771 1.00 0.00 C ATOM 801 C ILE A 50 -8.520 4.465 7.328 1.00 0.00 C ATOM 802 O ILE A 50 -8.942 4.723 6.224 1.00 0.00 O ATOM 803 CB ILE A 50 -7.140 2.374 7.070 1.00 0.00 C ATOM 804 CG1 ILE A 50 -6.589 1.240 7.941 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.042 3.422 6.805 1.00 0.00 C ATOM 806 CD1 ILE A 50 -5.165 0.885 7.497 1.00 0.00 C ATOM 0 H ILE A 50 -9.815 2.409 6.396 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.226 2.970 8.852 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.458 1.979 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.588 1.542 8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.233 0.364 7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.196 2.945 6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.439 4.211 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.713 3.852 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.780 0.078 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.178 0.564 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.523 1.760 7.599 1.00 0.00 H new ATOM 818 N LYS A 51 -8.125 5.441 8.110 1.00 0.00 N ATOM 819 CA LYS A 51 -8.229 6.775 7.572 1.00 0.00 C ATOM 820 C LYS A 51 -7.120 7.662 8.094 1.00 0.00 C ATOM 821 O LYS A 51 -7.151 8.189 9.188 1.00 0.00 O ATOM 822 CB LYS A 51 -9.565 7.414 7.904 1.00 0.00 C ATOM 823 CG LYS A 51 -9.812 8.511 6.868 1.00 0.00 C ATOM 824 CD LYS A 51 -8.759 9.614 7.026 1.00 0.00 C ATOM 825 CE LYS A 51 -9.242 10.889 6.333 1.00 0.00 C ATOM 826 NZ LYS A 51 -8.944 12.066 7.195 1.00 0.00 N ATOM 0 H LYS A 51 -7.753 5.352 9.056 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.142 6.680 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.363 6.672 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.552 7.832 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.767 8.092 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.811 8.927 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.578 9.809 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.812 9.290 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.750 10.999 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.313 10.828 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.272 12.933 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.433 11.961 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.918 12.127 7.357 1.00 0.00 H new ATOM 840 N CYS A 52 -6.178 7.862 7.247 1.00 0.00 N ATOM 841 CA CYS A 52 -5.069 8.726 7.511 1.00 0.00 C ATOM 842 C CYS A 52 -4.118 8.540 6.358 1.00 0.00 C ATOM 843 O CYS A 52 -3.711 7.430 6.084 1.00 0.00 O ATOM 844 CB CYS A 52 -4.395 8.349 8.798 1.00 0.00 C ATOM 845 SG CYS A 52 -4.916 9.488 10.107 1.00 0.00 S ATOM 0 H CYS A 52 -6.149 7.423 6.327 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.392 9.762 7.609 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.651 7.325 9.069 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.312 8.386 8.679 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.196 9.370 10.301 1.00 0.00 H new ATOM 851 N GLN A 53 -3.790 9.553 5.650 1.00 0.00 N ATOM 852 CA GLN A 53 -2.925 9.311 4.525 1.00 0.00 C ATOM 853 C GLN A 53 -1.939 10.442 4.320 1.00 0.00 C ATOM 854 O GLN A 53 -2.282 11.587 4.099 1.00 0.00 O ATOM 855 CB GLN A 53 -3.771 9.136 3.264 1.00 0.00 C ATOM 856 CG GLN A 53 -3.684 7.681 2.792 1.00 0.00 C ATOM 857 CD GLN A 53 -5.035 6.987 2.989 1.00 0.00 C ATOM 858 OE1 GLN A 53 -5.818 7.362 3.964 1.00 0.00 O flip ATOM 859 NE2 GLN A 53 -5.380 6.088 2.248 1.00 0.00 N flip ATOM 0 H GLN A 53 -4.081 10.518 5.804 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.355 8.404 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.808 9.402 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.418 9.806 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.398 7.647 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.910 7.154 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.770 5.793 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.280 5.628 2.388 1.00 0.00 H new ATOM 868 N LYS A 54 -0.696 10.075 4.383 1.00 0.00 N ATOM 869 CA LYS A 54 0.381 11.002 4.194 1.00 0.00 C ATOM 870 C LYS A 54 1.292 10.383 3.136 1.00 0.00 C ATOM 871 O LYS A 54 1.909 9.362 3.366 1.00 0.00 O ATOM 872 CB LYS A 54 1.119 11.155 5.537 1.00 0.00 C ATOM 873 CG LYS A 54 2.626 11.336 5.318 1.00 0.00 C ATOM 874 CD LYS A 54 3.174 12.334 6.340 1.00 0.00 C ATOM 875 CE LYS A 54 4.043 11.597 7.361 1.00 0.00 C ATOM 876 NZ LYS A 54 3.973 12.301 8.673 1.00 0.00 N ATOM 0 H LYS A 54 -0.397 9.118 4.568 1.00 0.00 H new ATOM 0 HA LYS A 54 0.045 11.988 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.721 12.013 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.941 10.276 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.137 10.378 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.817 11.694 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.760 13.102 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.352 12.841 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.701 10.568 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.075 11.555 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.564 11.800 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.319 13.276 8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.988 12.319 9.005 1.00 0.00 H new ATOM 890 N ILE A 55 1.378 10.966 1.978 1.00 0.00 N ATOM 891 CA ILE A 55 2.223 10.376 0.966 1.00 0.00 C ATOM 892 C ILE A 55 3.369 11.327 0.647 1.00 0.00 C ATOM 893 O ILE A 55 3.215 12.284 -0.085 1.00 0.00 O ATOM 894 CB ILE A 55 1.394 10.109 -0.299 1.00 0.00 C ATOM 895 CG1 ILE A 55 0.592 8.817 -0.120 1.00 0.00 C ATOM 896 CG2 ILE A 55 2.317 9.959 -1.513 1.00 0.00 C ATOM 897 CD1 ILE A 55 -0.119 8.833 1.234 1.00 0.00 C ATOM 0 H ILE A 55 0.893 11.822 1.709 1.00 0.00 H new ATOM 0 HA ILE A 55 2.631 9.434 1.331 1.00 0.00 H new ATOM 0 HB ILE A 55 0.718 10.949 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.138 8.717 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.255 7.954 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.718 9.770 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.891 10.876 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.999 9.125 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.688 7.912 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.619 8.912 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.796 9.686 1.280 1.00 0.00 H new ATOM 909 N SER A 56 4.529 11.049 1.171 1.00 0.00 N ATOM 910 CA SER A 56 5.665 11.889 0.880 1.00 0.00 C ATOM 911 C SER A 56 6.805 11.095 0.202 1.00 0.00 C ATOM 912 O SER A 56 7.768 10.765 0.857 1.00 0.00 O ATOM 913 CB SER A 56 6.185 12.495 2.184 1.00 0.00 C ATOM 914 OG SER A 56 5.290 12.174 3.241 1.00 0.00 O ATOM 0 H SER A 56 4.716 10.262 1.792 1.00 0.00 H new ATOM 0 HA SER A 56 5.341 12.670 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.181 12.110 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.276 13.577 2.085 1.00 0.00 H new ATOM 0 HG SER A 56 5.621 12.560 4.079 1.00 0.00 H new ATOM 920 N PRO A 57 6.713 10.848 -1.094 1.00 0.00 N ATOM 921 CA PRO A 57 7.888 10.165 -1.688 1.00 0.00 C ATOM 922 C PRO A 57 8.190 10.726 -3.080 1.00 0.00 C ATOM 923 O PRO A 57 8.847 10.095 -3.885 1.00 0.00 O ATOM 924 CB PRO A 57 7.537 8.692 -1.778 1.00 0.00 C ATOM 925 CG PRO A 57 6.065 8.547 -1.395 1.00 0.00 C ATOM 926 CD PRO A 57 5.511 9.965 -1.214 1.00 0.00 C ATOM 0 HA PRO A 57 8.777 10.320 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.709 8.318 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.167 8.106 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.515 8.013 -2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.960 7.971 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.892 10.257 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.884 10.032 -0.325 1.00 0.00 H new ATOM 934 N GLU A 58 7.720 11.907 -3.369 1.00 0.00 N ATOM 935 CA GLU A 58 7.977 12.495 -4.670 1.00 0.00 C ATOM 936 C GLU A 58 9.403 13.050 -4.692 1.00 0.00 C ATOM 937 O GLU A 58 10.073 13.053 -5.705 1.00 0.00 O ATOM 938 CB GLU A 58 6.961 13.620 -4.920 1.00 0.00 C ATOM 939 CG GLU A 58 7.483 14.956 -4.374 1.00 0.00 C ATOM 940 CD GLU A 58 8.429 15.591 -5.395 1.00 0.00 C ATOM 941 OE1 GLU A 58 8.489 15.093 -6.507 1.00 0.00 O ATOM 942 OE2 GLU A 58 9.077 16.565 -5.047 1.00 0.00 O ATOM 0 H GLU A 58 7.163 12.482 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 58 7.875 11.744 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.766 13.710 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.013 13.373 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.649 15.627 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.004 14.796 -3.430 1.00 0.00 H new ATOM 949 N GLY A 59 9.878 13.466 -3.556 1.00 0.00 N ATOM 950 CA GLY A 59 11.238 13.958 -3.439 1.00 0.00 C ATOM 951 C GLY A 59 11.754 13.504 -2.074 1.00 0.00 C ATOM 952 O GLY A 59 12.318 14.276 -1.324 1.00 0.00 O ATOM 0 H GLY A 59 9.347 13.478 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.863 13.562 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.265 15.045 -3.521 1.00 0.00 H new ATOM 956 N LYS A 60 11.511 12.270 -1.719 1.00 0.00 N ATOM 957 CA LYS A 60 11.923 11.810 -0.406 1.00 0.00 C ATOM 958 C LYS A 60 12.972 10.698 -0.475 1.00 0.00 C ATOM 959 O LYS A 60 13.538 10.408 -1.510 1.00 0.00 O ATOM 960 CB LYS A 60 10.685 11.313 0.354 1.00 0.00 C ATOM 961 CG LYS A 60 9.641 12.445 0.438 1.00 0.00 C ATOM 962 CD LYS A 60 10.325 13.802 0.652 1.00 0.00 C ATOM 963 CE LYS A 60 9.437 14.684 1.530 1.00 0.00 C ATOM 964 NZ LYS A 60 9.984 14.711 2.916 1.00 0.00 N ATOM 0 H LYS A 60 11.042 11.575 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 60 12.386 12.649 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.258 10.448 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.967 10.989 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.051 12.470 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.949 12.248 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.297 13.661 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.504 14.287 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.394 15.695 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.417 14.300 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.382 15.310 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.003 13.745 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.950 15.096 2.901 1.00 0.00 H new ATOM 978 N ALA A 61 13.215 10.090 0.662 1.00 0.00 N ATOM 979 CA ALA A 61 14.185 9.015 0.760 1.00 0.00 C ATOM 980 C ALA A 61 14.137 8.164 -0.508 1.00 0.00 C ATOM 981 O ALA A 61 14.991 8.273 -1.366 1.00 0.00 O ATOM 982 CB ALA A 61 13.858 8.143 1.973 1.00 0.00 C ATOM 0 H ALA A 61 12.752 10.321 1.541 1.00 0.00 H new ATOM 0 HA ALA A 61 15.183 9.437 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.586 7.335 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.895 8.750 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.859 7.722 1.860 1.00 0.00 H new ATOM 988 N LYS A 62 13.119 7.363 -0.668 1.00 0.00 N ATOM 989 CA LYS A 62 13.011 6.586 -1.885 1.00 0.00 C ATOM 990 C LYS A 62 11.676 5.866 -1.953 1.00 0.00 C ATOM 991 O LYS A 62 11.693 4.681 -2.100 1.00 0.00 O ATOM 992 CB LYS A 62 14.102 5.510 -1.992 1.00 0.00 C ATOM 993 CG LYS A 62 14.483 5.005 -0.598 1.00 0.00 C ATOM 994 CD LYS A 62 15.589 5.860 0.008 1.00 0.00 C ATOM 995 CE LYS A 62 16.734 4.961 0.478 1.00 0.00 C ATOM 996 NZ LYS A 62 17.492 5.647 1.562 1.00 0.00 N ATOM 0 H LYS A 62 12.366 7.228 0.007 1.00 0.00 H new ATOM 0 HA LYS A 62 13.117 7.302 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.746 4.680 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.980 5.920 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.608 5.023 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.813 3.968 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.954 6.576 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.198 6.437 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.340 4.012 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.398 4.733 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.270 5.036 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.880 6.542 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.855 5.843 2.361 1.00 0.00 H new ATOM 1010 N ILE A 63 10.540 6.524 -1.800 1.00 0.00 N ATOM 1011 CA ILE A 63 9.220 5.882 -1.847 1.00 0.00 C ATOM 1012 C ILE A 63 8.798 5.215 -0.532 1.00 0.00 C ATOM 1013 O ILE A 63 8.898 4.020 -0.339 1.00 0.00 O ATOM 1014 CB ILE A 63 8.921 5.002 -3.098 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.569 4.298 -2.897 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.985 3.946 -3.398 1.00 0.00 C ATOM 1017 CD1 ILE A 63 6.474 5.101 -3.593 1.00 0.00 C ATOM 0 H ILE A 63 10.498 7.530 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 63 8.561 6.740 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 63 8.911 5.679 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.608 3.287 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.348 4.206 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.696 3.380 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.943 4.435 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.075 3.269 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.514 4.605 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.430 6.103 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.695 5.170 -4.658 1.00 0.00 H new ATOM 1029 N GLN A 64 8.277 6.036 0.350 1.00 0.00 N ATOM 1030 CA GLN A 64 7.776 5.570 1.638 1.00 0.00 C ATOM 1031 C GLN A 64 6.381 6.178 1.850 1.00 0.00 C ATOM 1032 O GLN A 64 6.144 7.315 1.495 1.00 0.00 O ATOM 1033 CB GLN A 64 8.706 6.014 2.780 1.00 0.00 C ATOM 1034 CG GLN A 64 9.812 6.931 2.247 1.00 0.00 C ATOM 1035 CD GLN A 64 10.810 7.235 3.367 1.00 0.00 C ATOM 1036 OE1 GLN A 64 11.308 6.252 4.065 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 11.139 8.379 3.608 1.00 0.00 N flip ATOM 0 H GLN A 64 8.185 7.041 0.204 1.00 0.00 H new ATOM 0 HA GLN A 64 7.732 4.481 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.130 6.536 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.149 5.140 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.323 6.454 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.380 7.858 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.749 9.147 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.805 8.571 4.356 1.00 0.00 H new ATOM 1046 N LEU A 65 5.449 5.448 2.414 1.00 0.00 N ATOM 1047 CA LEU A 65 4.124 6.025 2.605 1.00 0.00 C ATOM 1048 C LEU A 65 3.623 5.804 4.045 1.00 0.00 C ATOM 1049 O LEU A 65 4.182 5.022 4.795 1.00 0.00 O ATOM 1050 CB LEU A 65 3.127 5.448 1.584 1.00 0.00 C ATOM 1051 CG LEU A 65 3.100 3.911 1.603 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.438 3.355 1.121 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.810 3.397 3.014 1.00 0.00 C ATOM 0 H LEU A 65 5.566 4.489 2.741 1.00 0.00 H new ATOM 0 HA LEU A 65 4.199 7.100 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.129 5.830 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.393 5.793 0.585 1.00 0.00 H new ATOM 0 HG LEU A 65 2.308 3.574 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.407 2.266 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.628 3.696 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.235 3.706 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.795 2.307 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.587 3.745 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.842 3.772 3.346 1.00 0.00 H new ATOM 1065 N GLN A 66 2.569 6.496 4.433 1.00 0.00 N ATOM 1066 CA GLN A 66 2.043 6.346 5.788 1.00 0.00 C ATOM 1067 C GLN A 66 0.502 6.398 5.784 1.00 0.00 C ATOM 1068 O GLN A 66 -0.110 7.212 5.121 1.00 0.00 O ATOM 1069 CB GLN A 66 2.584 7.469 6.674 1.00 0.00 C ATOM 1070 CG GLN A 66 2.824 6.934 8.090 1.00 0.00 C ATOM 1071 CD GLN A 66 2.637 8.066 9.102 1.00 0.00 C ATOM 1072 OE1 GLN A 66 2.238 9.157 8.744 1.00 0.00 O ATOM 1073 NE2 GLN A 66 2.911 7.852 10.360 1.00 0.00 N ATOM 0 H GLN A 66 2.063 7.158 3.845 1.00 0.00 H new ATOM 0 HA GLN A 66 2.360 5.379 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.514 7.858 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.876 8.297 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.130 6.121 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.831 6.524 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.246 6.937 10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.790 8.600 11.043 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.110 5.493 6.501 1.00 0.00 N ATOM 1083 CA LEU A 67 -1.559 5.418 6.539 1.00 0.00 C ATOM 1084 C LEU A 67 -1.999 5.072 7.965 1.00 0.00 C ATOM 1085 O LEU A 67 -1.402 4.242 8.616 1.00 0.00 O ATOM 1086 CB LEU A 67 -1.980 4.326 5.548 1.00 0.00 C ATOM 1087 CG LEU A 67 -3.453 3.966 5.707 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.269 4.674 4.620 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -3.600 2.449 5.550 1.00 0.00 C ATOM 0 H LEU A 67 0.367 4.793 7.070 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.025 6.364 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.795 4.667 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.368 3.437 5.703 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.814 4.278 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.323 4.418 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.145 5.753 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.920 4.355 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.648 2.172 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.248 2.150 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.009 1.945 6.315 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.031 5.702 8.468 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.454 5.391 9.825 1.00 0.00 C ATOM 1103 C VAL A 68 -4.866 4.861 9.831 1.00 0.00 C ATOM 1104 O VAL A 68 -5.638 5.036 8.913 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.369 6.587 10.770 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.203 6.090 12.202 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.154 7.417 10.440 1.00 0.00 C ATOM 0 H VAL A 68 -3.583 6.411 7.984 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.761 4.632 10.189 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.278 7.179 10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.142 6.943 12.878 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.058 5.472 12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.290 5.500 12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.100 8.269 11.118 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.257 6.808 10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.226 7.775 9.413 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.177 4.181 10.870 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.465 3.568 11.007 1.00 0.00 C ATOM 1119 C LEU A 69 -7.391 4.523 11.754 1.00 0.00 C ATOM 1120 O LEU A 69 -6.957 5.211 12.657 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.255 2.284 11.832 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.121 1.389 11.234 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.664 0.064 10.744 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.414 2.023 10.039 1.00 0.00 C ATOM 0 H LEU A 69 -4.550 4.027 11.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.911 3.339 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.005 2.549 12.859 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.186 1.717 11.866 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.416 1.262 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.850 -0.534 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.124 -0.470 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.410 0.241 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.640 1.348 9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.137 2.208 9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.960 2.966 10.343 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.666 4.563 11.419 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.567 5.443 12.153 1.00 0.00 C ATOM 1138 C HIS A 70 -9.254 5.239 13.632 1.00 0.00 C ATOM 1139 O HIS A 70 -9.324 6.138 14.447 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.023 5.066 11.867 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.155 3.570 11.810 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.019 2.771 12.934 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.412 2.712 10.770 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.194 1.494 12.548 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.437 1.402 11.238 1.00 0.00 N ATOM 0 H HIS A 70 -9.095 4.019 10.671 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.432 6.483 11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.673 5.469 12.644 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.344 5.506 10.923 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.571 3.009 9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.144 0.647 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.605 0.554 10.697 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.847 4.040 13.942 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.456 3.721 15.288 1.00 0.00 C ATOM 1155 C ALA A 71 -7.113 4.408 15.548 1.00 0.00 C ATOM 1156 O ALA A 71 -6.841 5.469 15.023 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.303 2.206 15.441 1.00 0.00 C ATOM 0 H ALA A 71 -8.777 3.266 13.281 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.209 4.062 15.999 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.007 1.972 16.463 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.253 1.720 15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.540 1.846 14.751 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.290 3.838 16.372 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.015 4.469 16.683 1.00 0.00 C ATOM 1165 C GLY A 72 -3.871 3.600 16.173 1.00 0.00 C ATOM 1166 O GLY A 72 -2.953 3.264 16.895 1.00 0.00 O ATOM 0 H GLY A 72 -6.461 2.950 16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.966 5.457 16.224 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.923 4.613 17.760 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.939 3.221 14.938 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.899 2.377 14.396 1.00 0.00 C ATOM 1172 C ASP A 73 -2.389 2.968 13.096 1.00 0.00 C ATOM 1173 O ASP A 73 -3.146 3.402 12.256 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.415 0.949 14.153 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.932 0.872 14.368 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -5.391 1.347 15.394 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -5.606 0.330 13.508 1.00 0.00 O ATOM 0 H ASP A 73 -4.684 3.471 14.288 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.086 2.326 15.120 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.171 0.638 13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.912 0.256 14.828 1.00 0.00 H new ATOM 1182 N THR A 74 -1.102 2.991 12.940 1.00 0.00 N ATOM 1183 CA THR A 74 -0.537 3.547 11.737 1.00 0.00 C ATOM 1184 C THR A 74 0.021 2.422 10.885 1.00 0.00 C ATOM 1185 O THR A 74 0.406 1.380 11.376 1.00 0.00 O ATOM 1186 CB THR A 74 0.584 4.530 12.086 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.378 5.038 13.396 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.581 5.684 11.080 1.00 0.00 C ATOM 0 H THR A 74 -0.425 2.638 13.617 1.00 0.00 H new ATOM 0 HA THR A 74 -1.313 4.079 11.187 1.00 0.00 H new ATOM 0 HB THR A 74 1.545 4.017 12.045 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.096 5.666 13.620 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.379 6.384 11.327 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.741 5.292 10.076 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.379 6.199 11.120 1.00 0.00 H new ATOM 1196 N THR A 75 0.093 2.642 9.611 1.00 0.00 N ATOM 1197 CA THR A 75 0.635 1.651 8.727 1.00 0.00 C ATOM 1198 C THR A 75 1.773 2.333 7.979 1.00 0.00 C ATOM 1199 O THR A 75 1.547 3.230 7.192 1.00 0.00 O ATOM 1200 CB THR A 75 -0.437 1.192 7.735 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.701 1.169 8.382 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.097 -0.210 7.225 1.00 0.00 C ATOM 0 H THR A 75 -0.217 3.500 9.155 1.00 0.00 H new ATOM 0 HA THR A 75 0.981 0.774 9.274 1.00 0.00 H new ATOM 0 HB THR A 75 -0.472 1.883 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.315 0.594 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.861 -0.536 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.873 -0.191 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.060 -0.904 8.065 1.00 0.00 H new ATOM 1210 N ASN A 76 2.990 1.948 8.213 1.00 0.00 N ATOM 1211 CA ASN A 76 4.078 2.600 7.523 1.00 0.00 C ATOM 1212 C ASN A 76 4.661 1.632 6.515 1.00 0.00 C ATOM 1213 O ASN A 76 4.868 0.471 6.807 1.00 0.00 O ATOM 1214 CB ASN A 76 5.161 2.994 8.524 1.00 0.00 C ATOM 1215 CG ASN A 76 4.551 3.866 9.623 1.00 0.00 C ATOM 1216 OD1 ASN A 76 3.657 3.438 10.328 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.997 5.079 9.801 1.00 0.00 N ATOM 0 H ASN A 76 3.259 1.205 8.858 1.00 0.00 H new ATOM 0 HA ASN A 76 3.712 3.495 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.609 2.101 8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.959 3.536 8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.596 5.668 10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.747 5.439 9.210 1.00 0.00 H new ATOM 1224 N PHE A 77 4.928 2.081 5.328 1.00 0.00 N ATOM 1225 CA PHE A 77 5.478 1.171 4.360 1.00 0.00 C ATOM 1226 C PHE A 77 6.553 1.862 3.522 1.00 0.00 C ATOM 1227 O PHE A 77 6.552 3.062 3.331 1.00 0.00 O ATOM 1228 CB PHE A 77 4.357 0.619 3.479 1.00 0.00 C ATOM 1229 CG PHE A 77 4.229 -0.858 3.748 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.364 -1.660 3.646 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.992 -1.432 4.097 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.284 -3.021 3.881 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.913 -2.804 4.333 1.00 0.00 C ATOM 1234 CZ PHE A 77 4.069 -3.596 4.221 1.00 0.00 C ATOM 0 H PHE A 77 4.782 3.039 5.008 1.00 0.00 H new ATOM 0 HA PHE A 77 5.952 0.338 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.418 1.128 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.579 0.796 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.312 -1.216 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.110 -0.814 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.168 -3.636 3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.969 -3.256 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.010 -4.659 4.401 1.00 0.00 H new ATOM 1244 N HIS A 78 7.487 1.089 3.058 1.00 0.00 N ATOM 1245 CA HIS A 78 8.576 1.644 2.280 1.00 0.00 C ATOM 1246 C HIS A 78 8.978 0.678 1.184 1.00 0.00 C ATOM 1247 O HIS A 78 8.784 -0.510 1.269 1.00 0.00 O ATOM 1248 CB HIS A 78 9.799 1.940 3.169 1.00 0.00 C ATOM 1249 CG HIS A 78 10.897 2.538 2.322 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.904 1.754 1.787 1.00 0.00 N ATOM 1251 CD2 HIS A 78 11.163 3.825 1.893 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.711 2.558 1.077 1.00 0.00 C ATOM 1253 NE2 HIS A 78 12.307 3.824 1.113 1.00 0.00 N ATOM 0 H HIS A 78 7.527 0.079 3.197 1.00 0.00 H new ATOM 0 HA HIS A 78 8.229 2.579 1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.524 2.628 3.968 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.148 1.023 3.644 1.00 0.00 H new ATOM 0 HD1 HIS A 78 12.013 0.747 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.570 4.696 2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.584 2.217 0.541 1.00 0.00 H new ATOM 1261 N PHE A 79 9.479 1.217 0.133 1.00 0.00 N ATOM 1262 CA PHE A 79 9.840 0.398 -0.993 1.00 0.00 C ATOM 1263 C PHE A 79 11.362 0.303 -1.141 1.00 0.00 C ATOM 1264 O PHE A 79 12.092 1.221 -0.866 1.00 0.00 O ATOM 1265 CB PHE A 79 9.236 1.012 -2.226 1.00 0.00 C ATOM 1266 CG PHE A 79 7.753 0.720 -2.270 1.00 0.00 C ATOM 1267 CD1 PHE A 79 7.267 -0.446 -2.873 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.857 1.643 -1.712 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.891 -0.685 -2.918 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.478 1.405 -1.758 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.997 0.235 -2.366 1.00 0.00 C ATOM 0 H PHE A 79 9.652 2.215 0.017 1.00 0.00 H new ATOM 0 HA PHE A 79 9.463 -0.614 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.404 2.089 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.721 0.613 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.954 -1.160 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.232 2.541 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.517 -1.586 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.789 2.117 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.934 0.046 -2.407 1.00 0.00 H new ATOM 1281 N SER A 80 11.817 -0.801 -1.640 1.00 0.00 N ATOM 1282 CA SER A 80 13.248 -0.937 -1.852 1.00 0.00 C ATOM 1283 C SER A 80 13.624 -2.258 -2.507 1.00 0.00 C ATOM 1284 O SER A 80 13.561 -3.305 -1.893 1.00 0.00 O ATOM 1285 CB SER A 80 13.956 -0.797 -0.518 1.00 0.00 C ATOM 1286 OG SER A 80 15.240 -0.222 -0.724 1.00 0.00 O ATOM 0 H SER A 80 11.251 -1.607 -1.906 1.00 0.00 H new ATOM 0 HA SER A 80 13.561 -0.150 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.369 -0.172 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.054 -1.772 -0.042 1.00 0.00 H new ATOM 0 HG SER A 80 15.699 -0.129 0.137 1.00 0.00 H new ATOM 1292 N ASN A 81 14.065 -2.210 -3.726 1.00 0.00 N ATOM 1293 CA ASN A 81 14.485 -3.423 -4.400 1.00 0.00 C ATOM 1294 C ASN A 81 15.764 -3.129 -5.179 1.00 0.00 C ATOM 1295 O ASN A 81 16.132 -1.989 -5.378 1.00 0.00 O ATOM 1296 CB ASN A 81 13.399 -3.900 -5.364 1.00 0.00 C ATOM 1297 CG ASN A 81 12.035 -3.788 -4.686 1.00 0.00 C ATOM 1298 OD1 ASN A 81 11.054 -3.452 -5.313 1.00 0.00 O ATOM 1299 ND2 ASN A 81 11.934 -4.070 -3.421 1.00 0.00 N ATOM 0 H ASN A 81 14.147 -1.357 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 81 14.662 -4.206 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.416 -3.300 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.587 -4.932 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.028 -4.009 -2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.760 -4.353 -2.894 1.00 0.00 H new ATOM 1306 N GLU A 82 16.447 -4.144 -5.619 1.00 0.00 N ATOM 1307 CA GLU A 82 17.668 -3.920 -6.359 1.00 0.00 C ATOM 1308 C GLU A 82 17.434 -2.855 -7.435 1.00 0.00 C ATOM 1309 O GLU A 82 18.344 -2.153 -7.830 1.00 0.00 O ATOM 1310 CB GLU A 82 18.106 -5.227 -7.023 1.00 0.00 C ATOM 1311 CG GLU A 82 16.956 -5.783 -7.866 1.00 0.00 C ATOM 1312 CD GLU A 82 17.507 -6.776 -8.890 1.00 0.00 C ATOM 1313 OE1 GLU A 82 18.540 -7.365 -8.618 1.00 0.00 O ATOM 1314 OE2 GLU A 82 16.886 -6.931 -9.929 1.00 0.00 O ATOM 0 H GLU A 82 16.191 -5.122 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 82 18.446 -3.577 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.980 -5.053 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.398 -5.953 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.225 -6.275 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.438 -4.970 -8.375 1.00 0.00 H new ATOM 1321 N SER A 83 16.228 -2.735 -7.927 1.00 0.00 N ATOM 1322 CA SER A 83 15.992 -1.742 -8.960 1.00 0.00 C ATOM 1323 C SER A 83 14.556 -1.197 -8.945 1.00 0.00 C ATOM 1324 O SER A 83 14.114 -0.636 -9.928 1.00 0.00 O ATOM 1325 CB SER A 83 16.268 -2.368 -10.324 1.00 0.00 C ATOM 1326 OG SER A 83 16.880 -3.638 -10.143 1.00 0.00 O ATOM 0 H SER A 83 15.417 -3.286 -7.647 1.00 0.00 H new ATOM 0 HA SER A 83 16.662 -0.905 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.338 -2.476 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.918 -1.718 -10.910 1.00 0.00 H new ATOM 0 HG SER A 83 17.057 -4.043 -11.017 1.00 0.00 H new ATOM 1332 N THR A 84 13.808 -1.330 -7.881 1.00 0.00 N ATOM 1333 CA THR A 84 12.459 -0.796 -7.909 1.00 0.00 C ATOM 1334 C THR A 84 12.343 0.272 -6.804 1.00 0.00 C ATOM 1335 O THR A 84 11.287 0.557 -6.277 1.00 0.00 O ATOM 1336 CB THR A 84 11.473 -1.974 -7.723 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.002 -2.385 -8.998 1.00 0.00 O ATOM 1338 CG2 THR A 84 10.276 -1.589 -6.855 1.00 0.00 C ATOM 0 H THR A 84 14.089 -1.784 -7.012 1.00 0.00 H new ATOM 0 HA THR A 84 12.219 -0.313 -8.856 1.00 0.00 H new ATOM 0 HB THR A 84 12.006 -2.781 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.454 -1.673 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.611 -2.446 -6.752 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.625 -1.280 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.737 -0.766 -7.323 1.00 0.00 H new ATOM 1346 N ALA A 85 13.435 0.925 -6.513 1.00 0.00 N ATOM 1347 CA ALA A 85 13.402 2.003 -5.537 1.00 0.00 C ATOM 1348 C ALA A 85 13.177 3.344 -6.249 1.00 0.00 C ATOM 1349 O ALA A 85 13.868 4.312 -6.000 1.00 0.00 O ATOM 1350 CB ALA A 85 14.710 2.039 -4.744 1.00 0.00 C ATOM 0 H ALA A 85 14.350 0.741 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 85 12.580 1.827 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.672 2.850 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.846 1.091 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.545 2.201 -5.426 1.00 0.00 H new ATOM 1356 N VAL A 86 12.240 3.404 -7.141 1.00 0.00 N ATOM 1357 CA VAL A 86 12.010 4.654 -7.859 1.00 0.00 C ATOM 1358 C VAL A 86 10.551 4.776 -8.332 1.00 0.00 C ATOM 1359 O VAL A 86 9.626 4.389 -7.646 1.00 0.00 O ATOM 1360 CB VAL A 86 12.957 4.726 -9.065 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.280 6.189 -9.371 1.00 0.00 C ATOM 1362 CG2 VAL A 86 14.257 3.978 -8.754 1.00 0.00 C ATOM 0 H VAL A 86 11.625 2.632 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 86 12.207 5.482 -7.178 1.00 0.00 H new ATOM 0 HB VAL A 86 12.473 4.266 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.952 6.242 -10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.359 6.725 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.759 6.645 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.924 4.034 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.741 4.433 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.033 2.934 -8.536 1.00 0.00 H new ATOM 1372 N LYS A 87 10.356 5.313 -9.523 1.00 0.00 N ATOM 1373 CA LYS A 87 9.020 5.476 -10.081 1.00 0.00 C ATOM 1374 C LYS A 87 8.255 4.150 -10.028 1.00 0.00 C ATOM 1375 O LYS A 87 7.048 4.108 -10.163 1.00 0.00 O ATOM 1376 CB LYS A 87 9.138 5.929 -11.537 1.00 0.00 C ATOM 1377 CG LYS A 87 9.650 7.370 -11.584 1.00 0.00 C ATOM 1378 CD LYS A 87 8.744 8.205 -12.491 1.00 0.00 C ATOM 1379 CE LYS A 87 7.445 8.532 -11.753 1.00 0.00 C ATOM 1380 NZ LYS A 87 6.296 8.413 -12.694 1.00 0.00 N ATOM 0 H LYS A 87 11.108 5.646 -10.127 1.00 0.00 H new ATOM 0 HA LYS A 87 8.479 6.221 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.818 5.272 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.168 5.860 -12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.667 7.794 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.674 7.391 -11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.251 9.125 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.526 7.658 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.311 7.852 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.491 9.541 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.412 8.635 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.423 9.078 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.249 7.442 -13.064 1.00 0.00 H new ATOM 1394 N GLU A 88 8.953 3.071 -9.839 1.00 0.00 N ATOM 1395 CA GLU A 88 8.295 1.777 -9.783 1.00 0.00 C ATOM 1396 C GLU A 88 7.241 1.818 -8.670 1.00 0.00 C ATOM 1397 O GLU A 88 6.038 1.895 -8.904 1.00 0.00 O ATOM 1398 CB GLU A 88 9.339 0.684 -9.468 1.00 0.00 C ATOM 1399 CG GLU A 88 10.691 1.046 -10.076 1.00 0.00 C ATOM 1400 CD GLU A 88 11.228 -0.129 -10.897 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.524 -1.119 -11.014 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.337 -0.020 -11.395 1.00 0.00 O ATOM 0 H GLU A 88 9.966 3.047 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 88 7.821 1.552 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.438 0.568 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.001 -0.274 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.590 1.927 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.397 1.301 -9.286 1.00 0.00 H new ATOM 1409 N ARG A 89 7.683 1.788 -7.455 1.00 0.00 N ATOM 1410 CA ARG A 89 6.760 1.836 -6.368 1.00 0.00 C ATOM 1411 C ARG A 89 6.180 3.235 -6.351 1.00 0.00 C ATOM 1412 O ARG A 89 5.026 3.434 -6.031 1.00 0.00 O ATOM 1413 CB ARG A 89 7.496 1.512 -5.079 1.00 0.00 C ATOM 1414 CG ARG A 89 8.392 0.288 -5.317 1.00 0.00 C ATOM 1415 CD ARG A 89 7.549 -0.906 -5.776 1.00 0.00 C ATOM 1416 NE ARG A 89 7.683 -1.077 -7.209 1.00 0.00 N ATOM 1417 CZ ARG A 89 7.375 -2.218 -7.773 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.003 -3.234 -7.046 1.00 0.00 N ATOM 1419 NH2 ARG A 89 7.452 -2.346 -9.069 1.00 0.00 N ATOM 0 H ARG A 89 8.667 1.731 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 89 5.955 1.108 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.097 2.364 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.785 1.309 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.145 0.521 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.925 0.035 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.871 -1.811 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.503 -0.746 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 89 8.020 -0.303 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.950 -3.143 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.764 -4.120 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.752 -1.558 -9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.212 -3.235 -9.509 1.00 0.00 H new ATOM 1433 N ASP A 90 6.979 4.214 -6.713 1.00 0.00 N ATOM 1434 CA ASP A 90 6.468 5.580 -6.743 1.00 0.00 C ATOM 1435 C ASP A 90 5.070 5.518 -7.359 1.00 0.00 C ATOM 1436 O ASP A 90 4.111 6.013 -6.801 1.00 0.00 O ATOM 1437 CB ASP A 90 7.371 6.482 -7.577 1.00 0.00 C ATOM 1438 CG ASP A 90 7.508 7.842 -6.890 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.618 7.862 -5.675 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.501 8.841 -7.591 1.00 0.00 O ATOM 0 H ASP A 90 7.956 4.104 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 90 6.437 5.997 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.352 6.022 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.954 6.608 -8.576 1.00 0.00 H new ATOM 1445 N ALA A 91 4.938 4.851 -8.479 1.00 0.00 N ATOM 1446 CA ALA A 91 3.628 4.698 -9.066 1.00 0.00 C ATOM 1447 C ALA A 91 2.752 4.024 -8.011 1.00 0.00 C ATOM 1448 O ALA A 91 1.707 4.532 -7.653 1.00 0.00 O ATOM 1449 CB ALA A 91 3.714 3.820 -10.315 1.00 0.00 C ATOM 0 H ALA A 91 5.702 4.414 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 91 3.214 5.662 -9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.721 3.710 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.380 4.285 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.102 2.838 -10.044 1.00 0.00 H new ATOM 1455 N VAL A 92 3.182 2.878 -7.502 1.00 0.00 N ATOM 1456 CA VAL A 92 2.387 2.201 -6.466 1.00 0.00 C ATOM 1457 C VAL A 92 1.846 3.274 -5.513 1.00 0.00 C ATOM 1458 O VAL A 92 0.653 3.400 -5.285 1.00 0.00 O ATOM 1459 CB VAL A 92 3.246 1.229 -5.642 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.479 0.824 -4.381 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.557 -0.030 -6.442 1.00 0.00 C ATOM 0 H VAL A 92 4.044 2.404 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 92 1.589 1.638 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 92 4.179 1.729 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.084 0.134 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.260 1.712 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.546 0.337 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.166 -0.703 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.626 -0.528 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.102 0.239 -7.347 1.00 0.00 H new ATOM 1471 N LYS A 93 2.735 4.069 -4.984 1.00 0.00 N ATOM 1472 CA LYS A 93 2.329 5.136 -4.099 1.00 0.00 C ATOM 1473 C LYS A 93 1.199 5.908 -4.795 1.00 0.00 C ATOM 1474 O LYS A 93 0.125 6.102 -4.231 1.00 0.00 O ATOM 1475 CB LYS A 93 3.565 6.018 -3.813 1.00 0.00 C ATOM 1476 CG LYS A 93 3.300 7.501 -4.104 1.00 0.00 C ATOM 1477 CD LYS A 93 4.631 8.248 -4.172 1.00 0.00 C ATOM 1478 CE LYS A 93 4.816 8.845 -5.568 1.00 0.00 C ATOM 1479 NZ LYS A 93 5.682 10.054 -5.480 1.00 0.00 N ATOM 0 H LYS A 93 3.740 4.003 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 93 1.954 4.772 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.859 5.901 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.402 5.675 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.761 7.608 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.669 7.929 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.654 9.038 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.452 7.569 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.267 8.109 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.848 9.108 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.631 10.583 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.355 10.659 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.665 9.765 -5.304 1.00 0.00 H new ATOM 1493 N ASP A 94 1.428 6.307 -6.037 1.00 0.00 N ATOM 1494 CA ASP A 94 0.409 7.013 -6.804 1.00 0.00 C ATOM 1495 C ASP A 94 -0.930 6.360 -6.503 1.00 0.00 C ATOM 1496 O ASP A 94 -1.827 6.970 -5.956 1.00 0.00 O ATOM 1497 CB ASP A 94 0.713 6.886 -8.298 1.00 0.00 C ATOM 1498 CG ASP A 94 0.358 8.196 -9.004 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.285 9.026 -8.382 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.735 8.348 -10.155 1.00 0.00 O ATOM 0 H ASP A 94 2.305 6.156 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 94 0.391 8.070 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.768 6.654 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.142 6.063 -8.727 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.052 5.112 -6.855 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.287 4.391 -6.598 1.00 0.00 C ATOM 1507 C LEU A 95 -2.791 4.759 -5.206 1.00 0.00 C ATOM 1508 O LEU A 95 -3.902 5.215 -5.060 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.055 2.879 -6.639 1.00 0.00 C ATOM 1510 CG LEU A 95 -0.941 2.535 -7.622 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -0.858 1.020 -7.757 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.251 3.156 -8.987 1.00 0.00 C ATOM 0 H LEU A 95 -0.324 4.568 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.013 4.662 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.794 2.518 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.975 2.372 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 95 0.009 2.928 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.065 0.760 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.641 0.579 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.809 0.635 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.454 2.909 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.197 2.762 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.323 4.239 -8.886 1.00 0.00 H new ATOM 1524 N LEU A 96 -1.980 4.562 -4.188 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.398 4.892 -2.825 1.00 0.00 C ATOM 1526 C LEU A 96 -3.228 6.181 -2.820 1.00 0.00 C ATOM 1527 O LEU A 96 -4.414 6.171 -2.550 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.160 5.090 -1.945 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.239 3.870 -2.049 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.743 3.874 -0.877 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.073 2.589 -2.006 1.00 0.00 C ATOM 0 H LEU A 96 -1.037 4.180 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.005 4.074 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.624 5.987 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.461 5.240 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 96 0.311 3.912 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.399 3.007 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.341 4.785 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.190 3.833 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.415 1.724 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.625 2.546 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.775 2.584 -2.840 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.614 7.295 -3.111 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.376 8.546 -3.113 1.00 0.00 C ATOM 1545 C GLN A 97 -4.372 8.561 -4.274 1.00 0.00 C ATOM 1546 O GLN A 97 -5.145 9.485 -4.437 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.468 9.755 -3.244 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.820 9.793 -4.623 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.324 9.579 -4.462 1.00 0.00 C ATOM 1550 OE1 GLN A 97 0.130 8.369 -4.488 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 0.432 10.518 -4.312 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.625 7.380 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.903 8.600 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.042 10.667 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.697 9.722 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.246 9.020 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.015 10.750 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.066 11.470 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.433 10.355 -4.205 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.372 7.533 -5.055 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.296 7.437 -6.160 1.00 0.00 C ATOM 1562 C GLN A 98 -6.589 6.766 -5.669 1.00 0.00 C ATOM 1563 O GLN A 98 -7.676 7.120 -6.082 1.00 0.00 O ATOM 1564 CB GLN A 98 -4.657 6.599 -7.267 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.250 7.001 -8.619 1.00 0.00 C ATOM 1566 CD GLN A 98 -5.865 5.773 -9.293 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.055 5.545 -9.197 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -5.100 4.966 -9.975 1.00 0.00 N ATOM 0 H GLN A 98 -3.742 6.737 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.530 8.428 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.577 6.748 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.832 5.539 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.009 7.771 -8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.475 7.428 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.101 5.157 -10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.501 4.144 -10.427 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.481 5.812 -4.772 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.679 5.157 -4.255 1.00 0.00 C ATOM 1579 C LEU A 99 -8.183 5.950 -3.059 1.00 0.00 C ATOM 1580 O LEU A 99 -9.328 5.863 -2.687 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.376 3.734 -3.757 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.062 3.228 -4.325 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.006 3.397 -3.254 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.185 1.748 -4.682 1.00 0.00 C ATOM 0 H LEU A 99 -5.600 5.472 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.411 5.109 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.332 3.727 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.184 3.063 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.799 3.784 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.046 3.042 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.924 4.451 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.286 2.820 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.239 1.392 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.433 1.177 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.972 1.617 -5.425 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.308 6.664 -2.412 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.689 7.398 -1.224 1.00 0.00 C ATOM 1598 C LEU A 100 -9.036 8.076 -1.469 1.00 0.00 C ATOM 1599 O LEU A 100 -9.866 8.174 -0.586 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.633 8.460 -0.909 1.00 0.00 C ATOM 1601 CG LEU A 100 -6.137 8.296 0.526 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.230 9.475 0.882 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -7.331 8.268 1.485 1.00 0.00 C ATOM 0 H LEU A 100 -6.328 6.758 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.767 6.712 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.798 8.371 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.055 9.456 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.582 7.362 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.873 9.363 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.379 9.498 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.791 10.405 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.973 8.151 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.888 9.201 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.983 7.432 1.230 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.197 8.511 -2.687 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.456 9.179 -3.085 1.00 0.00 C ATOM 1617 C PRO A 101 -11.606 8.172 -3.263 1.00 0.00 C ATOM 1618 O PRO A 101 -12.681 8.521 -3.711 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.113 9.809 -4.433 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.589 9.941 -4.509 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.025 8.965 -3.486 1.00 0.00 C ATOM 0 HA PRO A 101 -10.794 9.893 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.485 9.191 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.587 10.786 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.228 9.707 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.275 10.961 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.533 8.124 -3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.280 9.446 -2.853 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.373 6.927 -2.970 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.397 5.914 -3.173 1.00 0.00 C ATOM 1631 C LYS A 102 -13.145 5.576 -1.876 1.00 0.00 C ATOM 1632 O LYS A 102 -14.342 5.365 -1.885 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.706 4.645 -3.683 1.00 0.00 C ATOM 1634 CG LYS A 102 -12.639 3.439 -3.561 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.436 2.514 -4.762 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.688 1.661 -4.970 1.00 0.00 C ATOM 1637 NZ LYS A 102 -13.299 0.226 -5.067 1.00 0.00 N ATOM 0 H LYS A 102 -10.493 6.578 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.127 6.299 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.410 4.779 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.795 4.466 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.436 2.901 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.676 3.771 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.232 3.102 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.570 1.873 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.382 1.806 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.206 1.971 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.150 -0.355 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.652 0.095 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.823 -0.065 -4.189 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.452 5.436 -0.783 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.133 5.018 0.445 1.00 0.00 C ATOM 1653 C PHE A 103 -14.035 6.128 0.943 1.00 0.00 C ATOM 1654 O PHE A 103 -14.848 5.930 1.825 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.149 4.608 1.558 1.00 0.00 C ATOM 1656 CG PHE A 103 -10.751 4.546 1.020 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -10.488 3.790 -0.129 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -9.723 5.257 1.649 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.202 3.745 -0.653 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.427 5.205 1.129 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.165 4.450 -0.025 1.00 0.00 C ATOM 0 H PHE A 103 -11.448 5.595 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 103 -13.727 4.138 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.199 5.324 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -12.433 3.637 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.285 3.241 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.930 5.843 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.001 3.168 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.628 5.745 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.164 4.412 -0.429 1.00 0.00 H new ATOM 1671 N LYS A 104 -13.975 7.265 0.331 1.00 0.00 N ATOM 1672 CA LYS A 104 -14.894 8.320 0.705 1.00 0.00 C ATOM 1673 C LYS A 104 -16.179 8.003 -0.055 1.00 0.00 C ATOM 1674 O LYS A 104 -16.278 6.950 -0.653 1.00 0.00 O ATOM 1675 CB LYS A 104 -14.343 9.681 0.272 1.00 0.00 C ATOM 1676 CG LYS A 104 -13.420 10.228 1.363 1.00 0.00 C ATOM 1677 CD LYS A 104 -12.297 9.224 1.633 1.00 0.00 C ATOM 1678 CE LYS A 104 -11.099 9.951 2.248 1.00 0.00 C ATOM 1679 NZ LYS A 104 -11.057 9.686 3.714 1.00 0.00 N ATOM 0 H LYS A 104 -13.320 7.497 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.052 8.369 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.796 9.582 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -15.163 10.377 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.000 11.185 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.987 10.410 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.648 8.443 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.002 8.734 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.175 9.612 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.176 11.022 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.082 9.794 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.675 10.362 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.385 8.717 3.901 1.00 0.00 H new ATOM 1693 N ARG A 105 -17.165 8.852 -0.082 1.00 0.00 N ATOM 1694 CA ARG A 105 -18.352 8.499 -0.834 1.00 0.00 C ATOM 1695 C ARG A 105 -18.315 9.220 -2.184 1.00 0.00 C ATOM 1696 O ARG A 105 -17.280 9.687 -2.616 1.00 0.00 O ATOM 1697 CB ARG A 105 -19.598 8.920 -0.053 1.00 0.00 C ATOM 1698 CG ARG A 105 -20.302 7.674 0.488 1.00 0.00 C ATOM 1699 CD ARG A 105 -20.746 6.792 -0.680 1.00 0.00 C ATOM 1700 NE ARG A 105 -22.123 6.363 -0.472 1.00 0.00 N ATOM 1701 CZ ARG A 105 -22.507 5.838 0.663 1.00 0.00 C ATOM 1702 NH1 ARG A 105 -21.632 5.492 1.571 1.00 0.00 N ATOM 1703 NH2 ARG A 105 -23.774 5.600 0.867 1.00 0.00 N ATOM 0 H ARG A 105 -17.183 9.759 0.384 1.00 0.00 H new ATOM 0 HA ARG A 105 -18.383 7.421 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -19.320 9.580 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -20.273 9.482 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.630 7.119 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -21.165 7.962 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -20.664 7.343 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -20.092 5.924 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 105 -22.801 6.474 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.636 5.630 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.945 5.084 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -24.458 5.823 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -24.080 5.191 1.750 1.00 0.00 H new ATOM 1717 N LYS A 106 -19.430 9.321 -2.854 1.00 0.00 N ATOM 1718 CA LYS A 106 -19.440 9.999 -4.136 1.00 0.00 C ATOM 1719 C LYS A 106 -20.639 10.947 -4.198 1.00 0.00 C ATOM 1720 O LYS A 106 -21.086 11.331 -5.261 1.00 0.00 O ATOM 1721 CB LYS A 106 -19.543 8.968 -5.261 1.00 0.00 C ATOM 1722 CG LYS A 106 -18.259 8.137 -5.310 1.00 0.00 C ATOM 1723 CD LYS A 106 -18.505 6.862 -6.120 1.00 0.00 C ATOM 1724 CE LYS A 106 -17.386 5.856 -5.841 1.00 0.00 C ATOM 1725 NZ LYS A 106 -16.712 5.496 -7.121 1.00 0.00 N ATOM 0 H LYS A 106 -20.331 8.953 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.518 10.569 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.403 8.319 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.701 9.470 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.455 8.718 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.940 7.882 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.470 6.431 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -18.541 7.096 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.664 6.283 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.795 4.963 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.951 4.812 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.405 5.073 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.309 6.352 -7.554 1.00 0.00 H new ATOM 1739 N ALA A 107 -21.163 11.328 -3.065 1.00 0.00 N ATOM 1740 CA ALA A 107 -22.300 12.227 -3.057 1.00 0.00 C ATOM 1741 C ALA A 107 -21.827 13.643 -2.720 1.00 0.00 C ATOM 1742 O ALA A 107 -22.239 14.608 -3.332 1.00 0.00 O ATOM 1743 CB ALA A 107 -23.312 11.762 -2.009 1.00 0.00 C ATOM 0 H ALA A 107 -20.832 11.039 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.771 12.226 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -24.167 12.438 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -23.649 10.754 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -22.843 11.762 -1.025 1.00 0.00 H new ATOM 1749 N ASN A 108 -20.964 13.775 -1.750 1.00 0.00 N ATOM 1750 CA ASN A 108 -20.479 15.092 -1.385 1.00 0.00 C ATOM 1751 C ASN A 108 -18.955 15.054 -1.249 1.00 0.00 C ATOM 1752 O ASN A 108 -18.285 15.368 -2.219 1.00 0.00 O ATOM 1753 CB ASN A 108 -21.101 15.515 -0.052 1.00 0.00 C ATOM 1754 CG ASN A 108 -21.438 17.006 -0.096 1.00 0.00 C ATOM 1755 OD1 ASN A 108 -20.598 17.821 -0.422 1.00 0.00 O ATOM 1756 ND2 ASN A 108 -22.641 17.399 0.221 1.00 0.00 N ATOM 1757 OXT ASN A 108 -18.484 14.711 -0.177 1.00 0.00 O ATOM 0 H ASN A 108 -20.583 13.004 -1.201 1.00 0.00 H new ATOM 0 HA ASN A 108 -20.757 15.809 -2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.002 14.933 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -20.409 15.312 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.877 18.391 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.346 16.714 0.495 1.00 0.00 H new TER 1764 ASN A 108