USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 937 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 72 HIS : no HD1:sc= 0.14 K(o=0.14,f=-3!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 38 MET CE :methyl -149:sc= -0.294 (180deg=-0.451) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 177:sc= 1.67 (180deg=0.472) USER MOD Set 2.3: A 49 SER OG : rot 180:sc= 0.771 USER MOD Set 3.1: A 21 HIS : no HE2:sc= 0.494 K(o=0.89,f=-4!) USER MOD Set 3.2: A 28 GLN : amide:sc= 0.397 K(o=0.89,f=-2.5) USER MOD Set 4.1: A 19 SER OG : rot -57:sc= 0.97 USER MOD Set 4.2: A 30 LYS NZ :NH3+ -171:sc= 1.2 (180deg=-0.0824) USER MOD Set 5.1: A 9 TYR OH : rot 100:sc= 0.733 USER MOD Set 5.2: A 13 LYS NZ :NH3+ 168:sc= 2.36 (180deg=0.942) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.0179 (180deg=-2.07) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.763 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 10 CYS SG : rot 60:sc= -0.236 USER MOD Single : A 11 MET CE :methyl -164:sc= -0.0977 (180deg=-0.451) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0206 (180deg=-0.218) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.014) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -75:sc= 0.246 USER MOD Single : A 62 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.08) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0616 F(o=-3.7!,f=-0.062) USER MOD Single : A 64 HIS : no HD1:sc= 0.481 K(o=0.48,f=-3.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.9) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0788 (180deg=-0.353) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -90:sc= -0.257 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -25:sc= 0.13 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.94! C(o=-1.9!,f=-5.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 71:sc= 0.0264 USER MOD Single : A 100 TYR OH : rot 18:sc= 0.476 USER MOD Single : A 101 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.0062) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.04 F(o=-3.1!,f=-1) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.404 F(o=-1.7,f=-0.4) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.06) USER MOD Single : A 117 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.336 -12.245 8.288 1.00 0.00 N ATOM 2 CA MET A 1 -1.057 -10.967 8.128 1.00 0.00 C ATOM 3 C MET A 1 -1.808 -10.974 6.802 1.00 0.00 C ATOM 4 O MET A 1 -1.194 -10.966 5.734 1.00 0.00 O ATOM 5 CB MET A 1 -0.068 -9.799 8.189 1.00 0.00 C ATOM 6 CG MET A 1 -0.696 -8.473 8.592 1.00 0.00 C ATOM 7 SD MET A 1 -1.833 -7.816 7.361 1.00 0.00 S ATOM 8 CE MET A 1 -2.502 -6.415 8.250 1.00 0.00 C ATOM 0 H1 MET A 1 0.178 -12.243 9.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.017 -13.031 8.278 1.00 0.00 H new ATOM 0 H3 MET A 1 0.340 -12.362 7.506 1.00 0.00 H new ATOM 0 HA MET A 1 -1.776 -10.846 8.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.724 -10.044 8.897 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.402 -9.684 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.228 -8.603 9.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.095 -7.744 8.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.580 -6.366 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.294 -6.526 9.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.041 -5.498 7.884 1.00 0.00 H new ATOM 20 N THR A 2 -3.130 -11.017 6.866 1.00 0.00 N ATOM 21 CA THR A 2 -3.940 -11.093 5.660 1.00 0.00 C ATOM 22 C THR A 2 -4.505 -9.728 5.275 1.00 0.00 C ATOM 23 O THR A 2 -4.664 -8.843 6.120 1.00 0.00 O ATOM 24 CB THR A 2 -5.090 -12.102 5.832 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.745 -11.885 7.090 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.573 -13.531 5.751 1.00 0.00 C ATOM 0 H THR A 2 -3.663 -11.001 7.736 1.00 0.00 H new ATOM 0 HA THR A 2 -3.286 -11.432 4.857 1.00 0.00 H new ATOM 0 HB THR A 2 -5.806 -11.952 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.477 -12.529 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.403 -14.226 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.105 -13.694 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.839 -13.698 6.540 1.00 0.00 H new ATOM 34 N ILE A 3 -4.816 -9.569 3.992 1.00 0.00 N ATOM 35 CA ILE A 3 -5.344 -8.318 3.468 1.00 0.00 C ATOM 36 C ILE A 3 -6.709 -8.004 4.074 1.00 0.00 C ATOM 37 O ILE A 3 -7.040 -6.844 4.289 1.00 0.00 O ATOM 38 CB ILE A 3 -5.451 -8.360 1.925 1.00 0.00 C ATOM 39 CG1 ILE A 3 -4.055 -8.430 1.307 1.00 0.00 C ATOM 40 CG2 ILE A 3 -6.209 -7.150 1.396 1.00 0.00 C ATOM 41 CD1 ILE A 3 -4.059 -8.494 -0.203 1.00 0.00 C ATOM 0 H ILE A 3 -4.709 -10.302 3.291 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.647 -7.528 3.747 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.009 -9.253 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.484 -7.557 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.539 -9.307 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.269 -7.205 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.215 -7.139 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.686 -6.238 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.033 -8.542 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.601 -9.382 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.546 -7.605 -0.604 1.00 0.00 H new ATOM 53 N SER A 4 -7.482 -9.044 4.364 1.00 0.00 N ATOM 54 CA SER A 4 -8.801 -8.879 4.973 1.00 0.00 C ATOM 55 C SER A 4 -8.709 -8.053 6.259 1.00 0.00 C ATOM 56 O SER A 4 -9.539 -7.174 6.503 1.00 0.00 O ATOM 57 CB SER A 4 -9.425 -10.251 5.262 1.00 0.00 C ATOM 58 OG SER A 4 -10.695 -10.127 5.880 1.00 0.00 O ATOM 0 H SER A 4 -7.219 -10.014 4.188 1.00 0.00 H new ATOM 0 HA SER A 4 -9.439 -8.342 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.526 -10.809 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.760 -10.825 5.907 1.00 0.00 H new ATOM 0 HG SER A 4 -11.065 -11.019 6.049 1.00 0.00 H new ATOM 64 N GLU A 5 -7.685 -8.324 7.062 1.00 0.00 N ATOM 65 CA GLU A 5 -7.466 -7.588 8.302 1.00 0.00 C ATOM 66 C GLU A 5 -6.988 -6.173 7.988 1.00 0.00 C ATOM 67 O GLU A 5 -7.431 -5.195 8.594 1.00 0.00 O ATOM 68 CB GLU A 5 -6.429 -8.308 9.158 1.00 0.00 C ATOM 69 CG GLU A 5 -6.685 -9.799 9.299 1.00 0.00 C ATOM 70 CD GLU A 5 -7.952 -10.137 10.061 1.00 0.00 C ATOM 71 OE1 GLU A 5 -9.058 -9.961 9.511 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.844 -10.614 11.213 1.00 0.00 O ATOM 0 H GLU A 5 -6.993 -9.049 6.876 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.405 -7.533 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.442 -8.157 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.411 -7.856 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.741 -10.243 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.835 -10.257 9.805 1.00 0.00 H new ATOM 79 N LEU A 6 -6.091 -6.087 7.010 1.00 0.00 N ATOM 80 CA LEU A 6 -5.499 -4.823 6.589 1.00 0.00 C ATOM 81 C LEU A 6 -6.569 -3.882 6.027 1.00 0.00 C ATOM 82 O LEU A 6 -6.518 -2.667 6.230 1.00 0.00 O ATOM 83 CB LEU A 6 -4.419 -5.108 5.532 1.00 0.00 C ATOM 84 CG LEU A 6 -3.371 -4.009 5.309 1.00 0.00 C ATOM 85 CD1 LEU A 6 -2.131 -4.601 4.663 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.922 -2.896 4.431 1.00 0.00 C ATOM 0 H LEU A 6 -5.754 -6.895 6.486 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.047 -4.330 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.899 -6.023 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.915 -5.304 4.582 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.112 -3.586 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.391 -3.816 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.713 -5.369 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.397 -5.044 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.158 -2.132 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.209 -3.305 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.795 -2.453 4.910 1.00 0.00 H new ATOM 98 N LEU A 7 -7.537 -4.462 5.329 1.00 0.00 N ATOM 99 CA LEU A 7 -8.612 -3.704 4.695 1.00 0.00 C ATOM 100 C LEU A 7 -9.341 -2.805 5.685 1.00 0.00 C ATOM 101 O LEU A 7 -9.646 -1.655 5.371 1.00 0.00 O ATOM 102 CB LEU A 7 -9.606 -4.650 4.018 1.00 0.00 C ATOM 103 CG LEU A 7 -9.128 -5.267 2.703 1.00 0.00 C ATOM 104 CD1 LEU A 7 -10.174 -6.226 2.153 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.815 -4.178 1.687 1.00 0.00 C ATOM 0 H LEU A 7 -7.601 -5.470 5.186 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.152 -3.063 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.846 -5.455 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.531 -4.105 3.830 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.215 -5.829 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.817 -6.656 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.351 -7.024 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.104 -5.686 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.476 -4.635 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.712 -3.589 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.032 -3.529 2.079 1.00 0.00 H new ATOM 117 N GLN A 8 -9.611 -3.312 6.880 1.00 0.00 N ATOM 118 CA GLN A 8 -10.326 -2.524 7.873 1.00 0.00 C ATOM 119 C GLN A 8 -9.428 -1.422 8.430 1.00 0.00 C ATOM 120 O GLN A 8 -9.897 -0.329 8.747 1.00 0.00 O ATOM 121 CB GLN A 8 -10.858 -3.400 9.006 1.00 0.00 C ATOM 122 CG GLN A 8 -11.779 -2.643 9.951 1.00 0.00 C ATOM 123 CD GLN A 8 -12.414 -3.527 11.001 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.833 -4.520 11.437 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.625 -3.182 11.401 1.00 0.00 N ATOM 0 H GLN A 8 -9.350 -4.251 7.182 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.181 -2.064 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.396 -4.248 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.019 -3.806 9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.213 -1.853 10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.564 -2.157 9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.072 -2.351 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.113 -3.747 12.096 1.00 0.00 H new ATOM 134 N TYR A 9 -8.132 -1.708 8.521 1.00 0.00 N ATOM 135 CA TYR A 9 -7.164 -0.722 8.990 1.00 0.00 C ATOM 136 C TYR A 9 -7.122 0.475 8.045 1.00 0.00 C ATOM 137 O TYR A 9 -6.893 1.606 8.469 1.00 0.00 O ATOM 138 CB TYR A 9 -5.766 -1.342 9.121 1.00 0.00 C ATOM 139 CG TYR A 9 -4.704 -0.347 9.537 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.631 0.111 10.847 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.788 0.150 8.616 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.674 1.035 11.228 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.826 1.069 8.990 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.774 1.511 10.297 1.00 0.00 C ATOM 145 OH TYR A 9 -1.826 2.441 10.668 1.00 0.00 O ATOM 0 H TYR A 9 -7.729 -2.613 8.277 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.481 -0.382 9.976 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.802 -2.150 9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.483 -1.787 8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.332 -0.260 11.579 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.829 -0.188 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.632 1.382 12.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.118 1.440 8.263 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.969 1.991 10.820 1.00 0.00 H new ATOM 155 N CYS A 10 -7.355 0.215 6.763 1.00 0.00 N ATOM 156 CA CYS A 10 -7.358 1.268 5.755 1.00 0.00 C ATOM 157 C CYS A 10 -8.421 2.318 6.069 1.00 0.00 C ATOM 158 O CYS A 10 -8.213 3.509 5.848 1.00 0.00 O ATOM 159 CB CYS A 10 -7.615 0.670 4.371 1.00 0.00 C ATOM 160 SG CYS A 10 -6.513 -0.694 3.938 1.00 0.00 S ATOM 0 H CYS A 10 -7.545 -0.718 6.397 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.381 1.750 5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.646 0.318 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.513 1.456 3.623 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.652 -1.655 4.802 1.00 0.00 H new ATOM 166 N MET A 11 -9.546 1.867 6.621 1.00 0.00 N ATOM 167 CA MET A 11 -10.660 2.759 6.932 1.00 0.00 C ATOM 168 C MET A 11 -10.372 3.562 8.195 1.00 0.00 C ATOM 169 O MET A 11 -11.092 4.505 8.525 1.00 0.00 O ATOM 170 CB MET A 11 -11.955 1.961 7.101 1.00 0.00 C ATOM 171 CG MET A 11 -12.356 1.174 5.861 1.00 0.00 C ATOM 172 SD MET A 11 -12.564 2.215 4.403 1.00 0.00 S ATOM 173 CE MET A 11 -13.882 3.304 4.944 1.00 0.00 C ATOM 0 H MET A 11 -9.710 0.889 6.862 1.00 0.00 H new ATOM 0 HA MET A 11 -10.781 3.453 6.100 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.839 1.271 7.937 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.762 2.646 7.362 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.598 0.418 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.288 0.645 6.059 1.00 0.00 H new ATOM 0 HE1 MET A 11 -14.316 3.807 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 11 -14.652 2.720 5.449 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.480 4.047 5.633 1.00 0.00 H new ATOM 183 N ALA A 12 -9.319 3.176 8.904 1.00 0.00 N ATOM 184 CA ALA A 12 -8.892 3.896 10.095 1.00 0.00 C ATOM 185 C ALA A 12 -7.932 5.015 9.712 1.00 0.00 C ATOM 186 O ALA A 12 -7.539 5.830 10.549 1.00 0.00 O ATOM 187 CB ALA A 12 -8.243 2.945 11.090 1.00 0.00 C ATOM 0 H ALA A 12 -8.744 2.366 8.673 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.767 4.337 10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.930 3.501 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.960 2.177 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.373 2.475 10.630 1.00 0.00 H new ATOM 193 N LYS A 13 -7.561 5.046 8.437 1.00 0.00 N ATOM 194 CA LYS A 13 -6.713 6.100 7.905 1.00 0.00 C ATOM 195 C LYS A 13 -7.594 7.161 7.253 1.00 0.00 C ATOM 196 O LYS A 13 -8.184 6.920 6.200 1.00 0.00 O ATOM 197 CB LYS A 13 -5.728 5.531 6.876 1.00 0.00 C ATOM 198 CG LYS A 13 -4.965 4.300 7.340 1.00 0.00 C ATOM 199 CD LYS A 13 -3.745 4.657 8.178 1.00 0.00 C ATOM 200 CE LYS A 13 -4.107 5.019 9.612 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.906 5.074 10.492 1.00 0.00 N ATOM 0 H LYS A 13 -7.838 4.346 7.749 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.138 6.544 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.276 5.281 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.011 6.308 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.629 3.662 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.650 3.722 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.053 3.815 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.224 5.495 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.612 5.985 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.811 4.286 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.160 5.516 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.556 4.110 10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.162 5.635 10.030 1.00 0.00 H new ATOM 215 N PRO A 14 -7.721 8.339 7.880 1.00 0.00 N ATOM 216 CA PRO A 14 -8.598 9.406 7.388 1.00 0.00 C ATOM 217 C PRO A 14 -8.188 9.910 6.007 1.00 0.00 C ATOM 218 O PRO A 14 -7.166 10.573 5.857 1.00 0.00 O ATOM 219 CB PRO A 14 -8.446 10.519 8.432 1.00 0.00 C ATOM 220 CG PRO A 14 -7.168 10.222 9.136 1.00 0.00 C ATOM 221 CD PRO A 14 -7.020 8.726 9.116 1.00 0.00 C ATOM 0 HA PRO A 14 -9.624 9.057 7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.416 11.501 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.286 10.525 9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.327 10.704 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.190 10.598 10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.973 8.424 9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.469 8.264 9.996 1.00 0.00 H new ATOM 229 N GLY A 15 -8.978 9.566 4.999 1.00 0.00 N ATOM 230 CA GLY A 15 -8.706 10.036 3.655 1.00 0.00 C ATOM 231 C GLY A 15 -8.412 8.906 2.690 1.00 0.00 C ATOM 232 O GLY A 15 -8.217 9.136 1.499 1.00 0.00 O ATOM 0 H GLY A 15 -9.801 8.971 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.563 10.604 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.857 10.719 3.678 1.00 0.00 H new ATOM 236 N ALA A 16 -8.373 7.686 3.203 1.00 0.00 N ATOM 237 CA ALA A 16 -8.116 6.522 2.372 1.00 0.00 C ATOM 238 C ALA A 16 -9.416 5.833 1.979 1.00 0.00 C ATOM 239 O ALA A 16 -10.159 5.355 2.836 1.00 0.00 O ATOM 240 CB ALA A 16 -7.200 5.553 3.102 1.00 0.00 C ATOM 0 H ALA A 16 -8.516 7.477 4.191 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.623 6.854 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.013 4.684 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.255 6.047 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.674 5.233 4.030 1.00 0.00 H new ATOM 246 N GLU A 17 -9.695 5.796 0.683 1.00 0.00 N ATOM 247 CA GLU A 17 -10.885 5.125 0.183 1.00 0.00 C ATOM 248 C GLU A 17 -10.508 3.808 -0.487 1.00 0.00 C ATOM 249 O GLU A 17 -9.444 3.693 -1.104 1.00 0.00 O ATOM 250 CB GLU A 17 -11.635 6.009 -0.822 1.00 0.00 C ATOM 251 CG GLU A 17 -12.890 5.349 -1.379 1.00 0.00 C ATOM 252 CD GLU A 17 -13.443 6.047 -2.601 1.00 0.00 C ATOM 253 OE1 GLU A 17 -12.836 5.920 -3.686 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.506 6.691 -2.496 1.00 0.00 O ATOM 0 H GLU A 17 -9.114 6.222 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.538 4.928 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.909 6.947 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.967 6.259 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.665 4.313 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.656 5.329 -0.604 1.00 0.00 H new ATOM 261 N GLN A 18 -11.388 2.824 -0.370 1.00 0.00 N ATOM 262 CA GLN A 18 -11.191 1.545 -1.030 1.00 0.00 C ATOM 263 C GLN A 18 -11.819 1.584 -2.415 1.00 0.00 C ATOM 264 O GLN A 18 -13.020 1.814 -2.553 1.00 0.00 O ATOM 265 CB GLN A 18 -11.826 0.412 -0.224 1.00 0.00 C ATOM 266 CG GLN A 18 -11.332 0.306 1.206 1.00 0.00 C ATOM 267 CD GLN A 18 -11.987 -0.839 1.958 1.00 0.00 C ATOM 268 OE1 GLN A 18 -13.126 -1.214 1.675 1.00 0.00 O ATOM 269 NE2 GLN A 18 -11.278 -1.398 2.925 1.00 0.00 N ATOM 0 H GLN A 18 -12.246 2.889 0.177 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.119 1.362 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.907 0.552 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.633 -0.532 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.251 0.166 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.532 1.242 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.338 -1.059 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.671 -2.168 3.466 1.00 0.00 H new ATOM 278 N SER A 19 -11.004 1.382 -3.429 1.00 0.00 N ATOM 279 CA SER A 19 -11.480 1.347 -4.798 1.00 0.00 C ATOM 280 C SER A 19 -11.341 -0.063 -5.363 1.00 0.00 C ATOM 281 O SER A 19 -10.236 -0.528 -5.635 1.00 0.00 O ATOM 282 CB SER A 19 -10.691 2.345 -5.646 1.00 0.00 C ATOM 283 OG SER A 19 -10.693 3.630 -5.039 1.00 0.00 O ATOM 0 H SER A 19 -9.999 1.238 -3.330 1.00 0.00 H new ATOM 0 HA SER A 19 -12.534 1.626 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.666 1.996 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.127 2.407 -6.643 1.00 0.00 H new ATOM 0 HG SER A 19 -11.617 3.929 -4.909 1.00 0.00 H new ATOM 289 N VAL A 20 -12.461 -0.741 -5.525 1.00 0.00 N ATOM 290 CA VAL A 20 -12.450 -2.129 -5.964 1.00 0.00 C ATOM 291 C VAL A 20 -12.693 -2.233 -7.469 1.00 0.00 C ATOM 292 O VAL A 20 -13.412 -1.423 -8.054 1.00 0.00 O ATOM 293 CB VAL A 20 -13.503 -2.965 -5.195 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.912 -2.454 -5.455 1.00 0.00 C ATOM 295 CG2 VAL A 20 -13.394 -4.441 -5.543 1.00 0.00 C ATOM 0 H VAL A 20 -13.391 -0.356 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.461 -2.533 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.296 -2.852 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.627 -3.062 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.989 -1.417 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.131 -2.517 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.146 -5.002 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.557 -4.576 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.401 -4.805 -5.279 1.00 0.00 H new ATOM 305 N HIS A 21 -12.059 -3.214 -8.096 1.00 0.00 N ATOM 306 CA HIS A 21 -12.277 -3.487 -9.508 1.00 0.00 C ATOM 307 C HIS A 21 -12.644 -4.950 -9.713 1.00 0.00 C ATOM 308 O HIS A 21 -12.412 -5.786 -8.844 1.00 0.00 O ATOM 309 CB HIS A 21 -11.047 -3.110 -10.341 1.00 0.00 C ATOM 310 CG HIS A 21 -11.023 -1.663 -10.745 1.00 0.00 C ATOM 311 ND1 HIS A 21 -10.078 -0.759 -10.302 1.00 0.00 N ATOM 312 CD2 HIS A 21 -11.842 -0.966 -11.571 1.00 0.00 C ATOM 313 CE1 HIS A 21 -10.320 0.425 -10.837 1.00 0.00 C ATOM 314 NE2 HIS A 21 -11.381 0.324 -11.609 1.00 0.00 N ATOM 0 H HIS A 21 -11.387 -3.836 -7.646 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.108 -2.871 -9.850 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.147 -3.335 -9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.019 -3.731 -11.237 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.313 -0.972 -9.662 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.699 -1.355 -12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.744 1.323 -10.669 1.00 0.00 H new ATOM 323 N ASN A 22 -13.209 -5.250 -10.868 1.00 0.00 N ATOM 324 CA ASN A 22 -13.767 -6.570 -11.144 1.00 0.00 C ATOM 325 C ASN A 22 -12.672 -7.554 -11.575 1.00 0.00 C ATOM 326 O ASN A 22 -11.479 -7.228 -11.525 1.00 0.00 O ATOM 327 CB ASN A 22 -14.847 -6.436 -12.232 1.00 0.00 C ATOM 328 CG ASN A 22 -15.751 -7.652 -12.347 1.00 0.00 C ATOM 329 OD1 ASN A 22 -15.955 -8.384 -11.383 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.298 -7.867 -13.531 1.00 0.00 N ATOM 0 H ASN A 22 -13.296 -4.591 -11.642 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.216 -6.969 -10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.458 -5.559 -12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.363 -6.262 -13.193 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.916 -8.666 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.102 -7.234 -14.306 1.00 0.00 H new ATOM 337 N ASP A 23 -13.093 -8.764 -11.957 1.00 0.00 N ATOM 338 CA ASP A 23 -12.207 -9.823 -12.462 1.00 0.00 C ATOM 339 C ASP A 23 -11.457 -10.521 -11.331 1.00 0.00 C ATOM 340 O ASP A 23 -11.629 -11.722 -11.113 1.00 0.00 O ATOM 341 CB ASP A 23 -11.218 -9.289 -13.507 1.00 0.00 C ATOM 342 CG ASP A 23 -10.339 -10.380 -14.091 1.00 0.00 C ATOM 343 OD1 ASP A 23 -10.817 -11.124 -14.975 1.00 0.00 O ATOM 344 OD2 ASP A 23 -9.160 -10.486 -13.686 1.00 0.00 O ATOM 0 H ASP A 23 -14.074 -9.042 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.849 -10.558 -12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.772 -8.804 -14.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.588 -8.526 -13.049 1.00 0.00 H new ATOM 349 N TRP A 24 -10.630 -9.777 -10.615 1.00 0.00 N ATOM 350 CA TRP A 24 -9.863 -10.344 -9.510 1.00 0.00 C ATOM 351 C TRP A 24 -10.140 -9.603 -8.203 1.00 0.00 C ATOM 352 O TRP A 24 -9.531 -9.894 -7.175 1.00 0.00 O ATOM 353 CB TRP A 24 -8.359 -10.367 -9.837 1.00 0.00 C ATOM 354 CG TRP A 24 -7.748 -9.036 -10.185 1.00 0.00 C ATOM 355 CD1 TRP A 24 -8.348 -7.976 -10.810 1.00 0.00 C ATOM 356 CD2 TRP A 24 -6.391 -8.644 -9.955 1.00 0.00 C ATOM 357 NE1 TRP A 24 -7.451 -6.949 -10.965 1.00 0.00 N ATOM 358 CE2 TRP A 24 -6.243 -7.334 -10.448 1.00 0.00 C ATOM 359 CE3 TRP A 24 -5.288 -9.273 -9.369 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -5.034 -6.645 -10.380 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -4.090 -8.587 -9.302 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.974 -7.284 -9.802 1.00 0.00 C ATOM 0 H TRP A 24 -10.471 -8.782 -10.776 1.00 0.00 H new ATOM 0 HA TRP A 24 -10.188 -11.375 -9.373 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.826 -10.778 -8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.197 -11.050 -10.671 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -9.378 -7.952 -11.134 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.651 -6.046 -11.395 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.371 -10.276 -8.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.938 -5.642 -10.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.229 -9.064 -8.857 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.025 -6.773 -9.729 1.00 0.00 H new ATOM 373 N LYS A 25 -11.073 -8.651 -8.266 1.00 0.00 N ATOM 374 CA LYS A 25 -11.579 -7.953 -7.078 1.00 0.00 C ATOM 375 C LYS A 25 -10.449 -7.266 -6.304 1.00 0.00 C ATOM 376 O LYS A 25 -10.451 -7.224 -5.071 1.00 0.00 O ATOM 377 CB LYS A 25 -12.331 -8.941 -6.181 1.00 0.00 C ATOM 378 CG LYS A 25 -13.349 -8.283 -5.263 1.00 0.00 C ATOM 379 CD LYS A 25 -14.140 -9.319 -4.485 1.00 0.00 C ATOM 380 CE LYS A 25 -15.232 -8.676 -3.643 1.00 0.00 C ATOM 381 NZ LYS A 25 -16.265 -8.005 -4.479 1.00 0.00 N ATOM 0 H LYS A 25 -11.500 -8.341 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.266 -7.172 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.841 -9.672 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.610 -9.489 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.838 -7.616 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.030 -7.669 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.587 -10.032 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.466 -9.882 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.707 -9.437 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.785 -7.948 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.105 -7.806 -3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.883 -7.113 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.529 -8.627 -5.270 1.00 0.00 H new ATOM 395 N ALA A 26 -9.495 -6.710 -7.043 1.00 0.00 N ATOM 396 CA ALA A 26 -8.378 -5.992 -6.445 1.00 0.00 C ATOM 397 C ALA A 26 -8.858 -4.701 -5.791 1.00 0.00 C ATOM 398 O ALA A 26 -9.722 -4.007 -6.331 1.00 0.00 O ATOM 399 CB ALA A 26 -7.321 -5.686 -7.495 1.00 0.00 C ATOM 0 H ALA A 26 -9.474 -6.744 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.936 -6.626 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.493 -5.149 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.954 -6.618 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.757 -5.071 -8.282 1.00 0.00 H new ATOM 405 N THR A 27 -8.293 -4.379 -4.637 1.00 0.00 N ATOM 406 CA THR A 27 -8.686 -3.190 -3.902 1.00 0.00 C ATOM 407 C THR A 27 -7.566 -2.154 -3.914 1.00 0.00 C ATOM 408 O THR A 27 -6.463 -2.403 -3.424 1.00 0.00 O ATOM 409 CB THR A 27 -9.041 -3.541 -2.449 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.944 -4.655 -2.424 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.677 -2.354 -1.743 1.00 0.00 C ATOM 0 H THR A 27 -7.559 -4.928 -4.190 1.00 0.00 H new ATOM 0 HA THR A 27 -9.565 -2.772 -4.392 1.00 0.00 H new ATOM 0 HB THR A 27 -8.121 -3.803 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.166 -4.876 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.919 -2.628 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.980 -1.516 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.589 -2.065 -2.266 1.00 0.00 H new ATOM 419 N GLN A 28 -7.851 -0.999 -4.486 1.00 0.00 N ATOM 420 CA GLN A 28 -6.892 0.090 -4.551 1.00 0.00 C ATOM 421 C GLN A 28 -7.201 1.127 -3.479 1.00 0.00 C ATOM 422 O GLN A 28 -8.350 1.516 -3.300 1.00 0.00 O ATOM 423 CB GLN A 28 -6.926 0.733 -5.936 1.00 0.00 C ATOM 424 CG GLN A 28 -6.473 -0.205 -7.041 1.00 0.00 C ATOM 425 CD GLN A 28 -6.729 0.358 -8.421 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.781 0.122 -9.011 1.00 0.00 O ATOM 427 NE2 GLN A 28 -5.772 1.109 -8.941 1.00 0.00 N ATOM 0 H GLN A 28 -8.751 -0.789 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.893 -0.307 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.940 1.071 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.289 1.617 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.408 -0.408 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.992 -1.158 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.915 1.279 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.892 1.518 -9.868 1.00 0.00 H new ATOM 436 N ILE A 29 -6.183 1.561 -2.761 1.00 0.00 N ATOM 437 CA ILE A 29 -6.370 2.535 -1.697 1.00 0.00 C ATOM 438 C ILE A 29 -5.879 3.899 -2.156 1.00 0.00 C ATOM 439 O ILE A 29 -4.673 4.114 -2.302 1.00 0.00 O ATOM 440 CB ILE A 29 -5.604 2.123 -0.425 1.00 0.00 C ATOM 441 CG1 ILE A 29 -5.822 0.638 -0.125 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.046 2.973 0.758 1.00 0.00 C ATOM 443 CD1 ILE A 29 -4.926 0.098 0.970 1.00 0.00 C ATOM 0 H ILE A 29 -5.218 1.257 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.434 2.580 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.540 2.288 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.863 0.483 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.653 0.064 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.496 2.670 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.845 4.023 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.114 2.835 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.139 -0.960 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.883 0.219 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.111 0.645 1.894 1.00 0.00 H new ATOM 455 N LYS A 30 -6.799 4.819 -2.393 1.00 0.00 N ATOM 456 CA LYS A 30 -6.425 6.115 -2.923 1.00 0.00 C ATOM 457 C LYS A 30 -7.284 7.231 -2.343 1.00 0.00 C ATOM 458 O LYS A 30 -8.407 6.999 -1.891 1.00 0.00 O ATOM 459 CB LYS A 30 -6.487 6.101 -4.463 1.00 0.00 C ATOM 460 CG LYS A 30 -7.870 5.864 -5.064 1.00 0.00 C ATOM 461 CD LYS A 30 -8.545 7.178 -5.434 1.00 0.00 C ATOM 462 CE LYS A 30 -9.768 6.982 -6.318 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.868 6.259 -5.626 1.00 0.00 N ATOM 0 H LYS A 30 -7.798 4.693 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.397 6.318 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.108 7.054 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.814 5.326 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.781 5.236 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.491 5.322 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.840 7.699 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.828 7.817 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.131 7.955 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.480 6.428 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.611 6.019 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.496 5.387 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.267 6.865 -4.881 1.00 0.00 H new ATOM 477 N VAL A 31 -6.718 8.435 -2.340 1.00 0.00 N ATOM 478 CA VAL A 31 -7.406 9.639 -1.878 1.00 0.00 C ATOM 479 C VAL A 31 -8.293 10.175 -3.004 1.00 0.00 C ATOM 480 O VAL A 31 -9.075 9.428 -3.580 1.00 0.00 O ATOM 481 CB VAL A 31 -6.393 10.726 -1.425 1.00 0.00 C ATOM 482 CG1 VAL A 31 -7.037 11.711 -0.454 1.00 0.00 C ATOM 483 CG2 VAL A 31 -5.165 10.084 -0.793 1.00 0.00 C ATOM 0 H VAL A 31 -5.764 8.605 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.022 9.382 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.081 11.280 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.303 12.460 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.880 12.203 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.389 11.175 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.467 10.862 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.467 9.499 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.681 9.431 -1.520 1.00 0.00 H new ATOM 493 N GLU A 32 -8.201 11.471 -3.279 1.00 0.00 N ATOM 494 CA GLU A 32 -8.866 12.060 -4.442 1.00 0.00 C ATOM 495 C GLU A 32 -8.571 11.230 -5.689 1.00 0.00 C ATOM 496 O GLU A 32 -9.461 10.600 -6.258 1.00 0.00 O ATOM 497 CB GLU A 32 -8.395 13.501 -4.651 1.00 0.00 C ATOM 498 CG GLU A 32 -8.915 14.471 -3.604 1.00 0.00 C ATOM 499 CD GLU A 32 -10.409 14.689 -3.715 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.838 15.412 -4.644 1.00 0.00 O ATOM 501 OE2 GLU A 32 -11.162 14.139 -2.886 1.00 0.00 O ATOM 0 H GLU A 32 -7.673 12.136 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.941 12.065 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.305 13.522 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.714 13.839 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.678 14.091 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.402 15.427 -3.710 1.00 0.00 H new ATOM 508 N ASP A 33 -7.317 11.250 -6.113 1.00 0.00 N ATOM 509 CA ASP A 33 -6.843 10.363 -7.167 1.00 0.00 C ATOM 510 C ASP A 33 -5.426 9.898 -6.830 1.00 0.00 C ATOM 511 O ASP A 33 -4.746 9.249 -7.626 1.00 0.00 O ATOM 512 CB ASP A 33 -6.890 11.075 -8.527 1.00 0.00 C ATOM 513 CG ASP A 33 -6.465 10.187 -9.683 1.00 0.00 C ATOM 514 OD1 ASP A 33 -7.194 9.226 -10.008 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.395 10.454 -10.278 1.00 0.00 O ATOM 0 H ASP A 33 -6.603 11.876 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.492 9.490 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.903 11.434 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.243 11.951 -8.493 1.00 0.00 H new ATOM 520 N VAL A 34 -4.999 10.211 -5.614 1.00 0.00 N ATOM 521 CA VAL A 34 -3.661 9.860 -5.162 1.00 0.00 C ATOM 522 C VAL A 34 -3.615 8.406 -4.710 1.00 0.00 C ATOM 523 O VAL A 34 -4.024 8.079 -3.592 1.00 0.00 O ATOM 524 CB VAL A 34 -3.188 10.765 -4.001 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.753 10.435 -3.608 1.00 0.00 C ATOM 526 CG2 VAL A 34 -3.323 12.235 -4.370 1.00 0.00 C ATOM 0 H VAL A 34 -5.561 10.708 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.991 10.007 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.828 10.573 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.441 11.084 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.693 9.394 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.096 10.590 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.984 12.852 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.715 12.447 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.367 12.461 -4.588 1.00 0.00 H new ATOM 536 N LEU A 35 -3.159 7.535 -5.600 1.00 0.00 N ATOM 537 CA LEU A 35 -2.992 6.123 -5.284 1.00 0.00 C ATOM 538 C LEU A 35 -1.632 5.898 -4.643 1.00 0.00 C ATOM 539 O LEU A 35 -0.602 6.045 -5.296 1.00 0.00 O ATOM 540 CB LEU A 35 -3.124 5.275 -6.556 1.00 0.00 C ATOM 541 CG LEU A 35 -3.010 3.761 -6.355 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.166 3.241 -5.516 1.00 0.00 C ATOM 543 CD2 LEU A 35 -2.959 3.050 -7.701 1.00 0.00 C ATOM 0 H LEU A 35 -2.896 7.784 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.771 5.821 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.088 5.491 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.355 5.589 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.083 3.553 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.065 2.164 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.155 3.727 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.108 3.459 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.878 1.975 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.869 3.266 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.094 3.399 -8.265 1.00 0.00 H new ATOM 555 N PHE A 36 -1.633 5.564 -3.362 1.00 0.00 N ATOM 556 CA PHE A 36 -0.386 5.393 -2.628 1.00 0.00 C ATOM 557 C PHE A 36 -0.124 3.927 -2.297 1.00 0.00 C ATOM 558 O PHE A 36 0.980 3.565 -1.885 1.00 0.00 O ATOM 559 CB PHE A 36 -0.392 6.244 -1.351 1.00 0.00 C ATOM 560 CG PHE A 36 -1.599 6.047 -0.468 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.630 5.031 0.474 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.694 6.889 -0.572 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.727 4.861 1.294 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.793 6.723 0.248 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.809 5.708 1.180 1.00 0.00 C ATOM 0 H PHE A 36 -2.477 5.406 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 36 0.425 5.734 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.504 6.016 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.331 7.296 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.786 4.364 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.688 7.684 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.738 4.065 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.639 7.388 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.668 5.576 1.821 1.00 0.00 H new ATOM 575 N ALA A 37 -1.145 3.089 -2.470 1.00 0.00 N ATOM 576 CA ALA A 37 -1.020 1.658 -2.228 1.00 0.00 C ATOM 577 C ALA A 37 -2.264 0.927 -2.705 1.00 0.00 C ATOM 578 O ALA A 37 -3.359 1.486 -2.712 1.00 0.00 O ATOM 579 CB ALA A 37 -0.787 1.377 -0.748 1.00 0.00 C ATOM 0 H ALA A 37 -2.072 3.382 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.159 1.295 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.697 0.302 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.130 1.869 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.628 1.759 -0.168 1.00 0.00 H new ATOM 585 N MET A 38 -2.095 -0.314 -3.122 1.00 0.00 N ATOM 586 CA MET A 38 -3.230 -1.145 -3.491 1.00 0.00 C ATOM 587 C MET A 38 -2.957 -2.601 -3.141 1.00 0.00 C ATOM 588 O MET A 38 -1.854 -3.116 -3.367 1.00 0.00 O ATOM 589 CB MET A 38 -3.595 -0.989 -4.978 1.00 0.00 C ATOM 590 CG MET A 38 -2.600 -1.578 -5.971 1.00 0.00 C ATOM 591 SD MET A 38 -0.978 -0.790 -5.920 1.00 0.00 S ATOM 592 CE MET A 38 -0.255 -1.406 -7.440 1.00 0.00 C ATOM 0 H MET A 38 -1.187 -0.769 -3.214 1.00 0.00 H new ATOM 0 HA MET A 38 -4.092 -0.807 -2.916 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.566 -1.456 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.710 0.073 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.484 -2.643 -5.768 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.007 -1.488 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.824 -1.498 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.679 -2.383 -7.675 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.470 -0.712 -8.253 1.00 0.00 H new ATOM 602 N VAL A 39 -3.961 -3.253 -2.581 1.00 0.00 N ATOM 603 CA VAL A 39 -3.833 -4.626 -2.115 1.00 0.00 C ATOM 604 C VAL A 39 -4.549 -5.588 -3.055 1.00 0.00 C ATOM 605 O VAL A 39 -5.642 -5.301 -3.549 1.00 0.00 O ATOM 606 CB VAL A 39 -4.386 -4.789 -0.684 1.00 0.00 C ATOM 607 CG1 VAL A 39 -3.483 -4.091 0.318 1.00 0.00 C ATOM 608 CG2 VAL A 39 -5.801 -4.238 -0.583 1.00 0.00 C ATOM 0 H VAL A 39 -4.886 -2.849 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.770 -4.865 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.413 -5.854 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.888 -4.216 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.485 -4.526 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.427 -3.029 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.169 -4.364 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.798 -3.178 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.451 -4.776 -1.273 1.00 0.00 H new ATOM 618 N LYS A 40 -3.917 -6.721 -3.322 1.00 0.00 N ATOM 619 CA LYS A 40 -4.476 -7.703 -4.240 1.00 0.00 C ATOM 620 C LYS A 40 -4.374 -9.105 -3.656 1.00 0.00 C ATOM 621 O LYS A 40 -3.282 -9.551 -3.299 1.00 0.00 O ATOM 622 CB LYS A 40 -3.749 -7.685 -5.597 1.00 0.00 C ATOM 623 CG LYS A 40 -3.924 -6.410 -6.415 1.00 0.00 C ATOM 624 CD LYS A 40 -3.048 -5.270 -5.914 1.00 0.00 C ATOM 625 CE LYS A 40 -1.569 -5.627 -5.956 1.00 0.00 C ATOM 626 NZ LYS A 40 -0.723 -4.516 -5.439 1.00 0.00 N ATOM 0 H LYS A 40 -3.018 -6.983 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.522 -7.437 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.685 -7.841 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.102 -8.529 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.685 -6.616 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.969 -6.102 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.224 -4.383 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.331 -5.017 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.394 -6.525 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.279 -5.860 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.274 -4.812 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.834 -3.682 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.018 -4.277 -4.471 1.00 0.00 H new ATOM 640 N GLU A 41 -5.506 -9.789 -3.542 1.00 0.00 N ATOM 641 CA GLU A 41 -5.492 -11.205 -3.215 1.00 0.00 C ATOM 642 C GLU A 41 -5.163 -11.989 -4.466 1.00 0.00 C ATOM 643 O GLU A 41 -5.961 -12.058 -5.399 1.00 0.00 O ATOM 644 CB GLU A 41 -6.840 -11.667 -2.663 1.00 0.00 C ATOM 645 CG GLU A 41 -7.054 -11.338 -1.199 1.00 0.00 C ATOM 646 CD GLU A 41 -6.246 -12.211 -0.261 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.511 -13.432 -0.203 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.377 -11.674 0.454 1.00 0.00 O ATOM 0 H GLU A 41 -6.436 -9.389 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.740 -11.376 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.637 -11.208 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.926 -12.745 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.793 -10.294 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.112 -11.445 -0.961 1.00 0.00 H new ATOM 655 N VAL A 42 -3.988 -12.576 -4.479 1.00 0.00 N ATOM 656 CA VAL A 42 -3.535 -13.332 -5.628 1.00 0.00 C ATOM 657 C VAL A 42 -3.085 -14.715 -5.189 1.00 0.00 C ATOM 658 O VAL A 42 -2.222 -14.849 -4.322 1.00 0.00 O ATOM 659 CB VAL A 42 -2.403 -12.600 -6.395 1.00 0.00 C ATOM 660 CG1 VAL A 42 -1.214 -12.301 -5.488 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.966 -13.412 -7.605 1.00 0.00 C ATOM 0 H VAL A 42 -3.325 -12.545 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.373 -13.430 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.800 -11.646 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.440 -11.788 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.537 -11.666 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.814 -13.235 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.171 -12.883 -8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.599 -14.385 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.814 -13.551 -8.275 1.00 0.00 H new ATOM 671 N GLU A 43 -3.718 -15.741 -5.756 1.00 0.00 N ATOM 672 CA GLU A 43 -3.424 -17.125 -5.397 1.00 0.00 C ATOM 673 C GLU A 43 -3.750 -17.357 -3.915 1.00 0.00 C ATOM 674 O GLU A 43 -3.232 -18.282 -3.286 1.00 0.00 O ATOM 675 CB GLU A 43 -1.951 -17.434 -5.705 1.00 0.00 C ATOM 676 CG GLU A 43 -1.581 -17.179 -7.162 1.00 0.00 C ATOM 677 CD GLU A 43 -0.085 -17.196 -7.405 1.00 0.00 C ATOM 678 OE1 GLU A 43 0.522 -18.284 -7.331 1.00 0.00 O ATOM 679 OE2 GLU A 43 0.495 -16.120 -7.682 1.00 0.00 O ATOM 0 H GLU A 43 -4.440 -15.638 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.043 -17.802 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.316 -16.824 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.745 -18.476 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.054 -17.935 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.982 -16.213 -7.469 1.00 0.00 H new ATOM 686 N ASN A 44 -4.635 -16.494 -3.387 1.00 0.00 N ATOM 687 CA ASN A 44 -5.050 -16.506 -1.974 1.00 0.00 C ATOM 688 C ASN A 44 -3.872 -16.137 -1.073 1.00 0.00 C ATOM 689 O ASN A 44 -3.851 -16.431 0.122 1.00 0.00 O ATOM 690 CB ASN A 44 -5.633 -17.876 -1.592 1.00 0.00 C ATOM 691 CG ASN A 44 -6.564 -17.819 -0.389 1.00 0.00 C ATOM 692 OD1 ASN A 44 -7.772 -17.618 -0.535 1.00 0.00 O ATOM 693 ND2 ASN A 44 -6.019 -18.002 0.803 1.00 0.00 N ATOM 0 H ASN A 44 -5.087 -15.762 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.832 -15.760 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.177 -18.282 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.815 -18.564 -1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.602 -17.979 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.016 -18.166 0.885 1.00 0.00 H new ATOM 700 N ARG A 45 -2.892 -15.477 -1.664 1.00 0.00 N ATOM 701 CA ARG A 45 -1.738 -14.988 -0.937 1.00 0.00 C ATOM 702 C ARG A 45 -1.714 -13.465 -0.968 1.00 0.00 C ATOM 703 O ARG A 45 -1.683 -12.858 -2.040 1.00 0.00 O ATOM 704 CB ARG A 45 -0.457 -15.565 -1.538 1.00 0.00 C ATOM 705 CG ARG A 45 -0.211 -17.018 -1.156 1.00 0.00 C ATOM 706 CD ARG A 45 0.658 -17.727 -2.180 1.00 0.00 C ATOM 707 NE ARG A 45 1.880 -16.981 -2.486 1.00 0.00 N ATOM 708 CZ ARG A 45 2.424 -16.922 -3.699 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.889 -17.607 -4.698 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.517 -16.196 -3.910 1.00 0.00 N ATOM 0 H ARG A 45 -2.875 -15.266 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.803 -15.311 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.506 -15.486 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.391 -14.963 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.269 -17.061 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.165 -17.537 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.923 -18.716 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.087 -17.876 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 45 2.340 -16.478 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.060 -18.180 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.306 -17.562 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.943 -15.680 -3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.930 -16.154 -4.842 1.00 0.00 H new ATOM 724 N PRO A 46 -1.764 -12.835 0.211 1.00 0.00 N ATOM 725 CA PRO A 46 -1.807 -11.373 0.334 1.00 0.00 C ATOM 726 C PRO A 46 -0.571 -10.687 -0.251 1.00 0.00 C ATOM 727 O PRO A 46 0.554 -10.904 0.212 1.00 0.00 O ATOM 728 CB PRO A 46 -1.887 -11.142 1.849 1.00 0.00 C ATOM 729 CG PRO A 46 -1.404 -12.408 2.467 1.00 0.00 C ATOM 730 CD PRO A 46 -1.796 -13.502 1.522 1.00 0.00 C ATOM 0 HA PRO A 46 -2.644 -10.950 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.269 -10.296 2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.908 -10.918 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.324 -12.385 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.853 -12.560 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.101 -14.341 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.786 -13.897 1.750 1.00 0.00 H new ATOM 738 N ALA A 47 -0.786 -9.862 -1.270 1.00 0.00 N ATOM 739 CA ALA A 47 0.295 -9.116 -1.900 1.00 0.00 C ATOM 740 C ALA A 47 -0.054 -7.633 -2.005 1.00 0.00 C ATOM 741 O ALA A 47 -1.136 -7.263 -2.470 1.00 0.00 O ATOM 742 CB ALA A 47 0.602 -9.690 -3.274 1.00 0.00 C ATOM 0 H ALA A 47 -1.705 -9.693 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 47 1.184 -9.210 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.412 -9.123 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.901 -10.733 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.287 -9.626 -3.902 1.00 0.00 H new ATOM 748 N VAL A 48 0.872 -6.790 -1.573 1.00 0.00 N ATOM 749 CA VAL A 48 0.679 -5.348 -1.594 1.00 0.00 C ATOM 750 C VAL A 48 1.806 -4.680 -2.386 1.00 0.00 C ATOM 751 O VAL A 48 2.867 -5.273 -2.581 1.00 0.00 O ATOM 752 CB VAL A 48 0.615 -4.775 -0.155 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.962 -4.882 0.541 1.00 0.00 C ATOM 754 CG2 VAL A 48 0.124 -3.334 -0.156 1.00 0.00 C ATOM 0 H VAL A 48 1.774 -7.085 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.272 -5.135 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.103 -5.376 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.885 -4.472 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.260 -5.929 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.708 -4.322 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.090 -2.960 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.804 -2.718 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.874 -3.290 -0.592 1.00 0.00 H new ATOM 764 N SER A 49 1.569 -3.473 -2.879 1.00 0.00 N ATOM 765 CA SER A 49 2.572 -2.756 -3.649 1.00 0.00 C ATOM 766 C SER A 49 2.709 -1.329 -3.129 1.00 0.00 C ATOM 767 O SER A 49 1.708 -0.637 -2.951 1.00 0.00 O ATOM 768 CB SER A 49 2.192 -2.752 -5.129 1.00 0.00 C ATOM 769 OG SER A 49 1.977 -4.077 -5.593 1.00 0.00 O ATOM 0 H SER A 49 0.690 -2.970 -2.759 1.00 0.00 H new ATOM 0 HA SER A 49 3.532 -3.260 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.290 -2.158 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.983 -2.281 -5.712 1.00 0.00 H new ATOM 0 HG SER A 49 1.733 -4.056 -6.542 1.00 0.00 H new ATOM 775 N LEU A 50 3.943 -0.909 -2.861 1.00 0.00 N ATOM 776 CA LEU A 50 4.194 0.427 -2.324 1.00 0.00 C ATOM 777 C LEU A 50 5.134 1.226 -3.224 1.00 0.00 C ATOM 778 O LEU A 50 4.681 2.006 -4.060 1.00 0.00 O ATOM 779 CB LEU A 50 4.792 0.363 -0.910 1.00 0.00 C ATOM 780 CG LEU A 50 3.848 -0.101 0.204 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.648 -1.610 0.177 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.381 0.344 1.554 1.00 0.00 C ATOM 0 H LEU A 50 4.782 -1.471 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 50 3.227 0.929 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.652 -0.307 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.166 1.353 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 50 2.874 0.359 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.973 -1.902 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.219 -1.903 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.609 -2.107 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.704 0.010 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.368 -0.089 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.454 1.431 1.576 1.00 0.00 H new ATOM 794 N LYS A 51 6.445 1.007 -3.044 1.00 0.00 N ATOM 795 CA LYS A 51 7.482 1.779 -3.736 1.00 0.00 C ATOM 796 C LYS A 51 7.479 3.224 -3.211 1.00 0.00 C ATOM 797 O LYS A 51 6.656 3.578 -2.365 1.00 0.00 O ATOM 798 CB LYS A 51 7.259 1.731 -5.262 1.00 0.00 C ATOM 799 CG LYS A 51 8.523 1.533 -6.101 1.00 0.00 C ATOM 800 CD LYS A 51 9.380 2.788 -6.158 1.00 0.00 C ATOM 801 CE LYS A 51 10.504 2.666 -7.171 1.00 0.00 C ATOM 802 NZ LYS A 51 11.275 3.933 -7.292 1.00 0.00 N ATOM 0 H LYS A 51 6.813 0.292 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 51 8.460 1.341 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.564 0.922 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.779 2.659 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.109 0.714 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.243 1.241 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.754 3.643 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.801 2.984 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.174 1.859 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.090 2.397 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.034 3.812 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.640 4.698 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.690 4.176 -6.370 1.00 0.00 H new ATOM 816 N THR A 52 8.437 4.031 -3.665 1.00 0.00 N ATOM 817 CA THR A 52 8.494 5.454 -3.327 1.00 0.00 C ATOM 818 C THR A 52 8.659 5.663 -1.811 1.00 0.00 C ATOM 819 O THR A 52 8.285 6.695 -1.254 1.00 0.00 O ATOM 820 CB THR A 52 7.228 6.178 -3.847 1.00 0.00 C ATOM 821 OG1 THR A 52 6.914 5.696 -5.165 1.00 0.00 O ATOM 822 CG2 THR A 52 7.436 7.686 -3.912 1.00 0.00 C ATOM 0 H THR A 52 9.193 3.719 -4.275 1.00 0.00 H new ATOM 0 HA THR A 52 9.369 5.884 -3.815 1.00 0.00 H new ATOM 0 HB THR A 52 6.412 5.971 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.112 6.151 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.528 8.163 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.666 8.065 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.263 7.911 -4.585 1.00 0.00 H new ATOM 830 N SER A 53 9.253 4.679 -1.155 1.00 0.00 N ATOM 831 CA SER A 53 9.487 4.744 0.278 1.00 0.00 C ATOM 832 C SER A 53 10.878 4.211 0.613 1.00 0.00 C ATOM 833 O SER A 53 11.263 3.135 0.153 1.00 0.00 O ATOM 834 CB SER A 53 8.396 3.960 1.011 1.00 0.00 C ATOM 835 OG SER A 53 8.042 2.794 0.289 1.00 0.00 O ATOM 0 H SER A 53 9.584 3.821 -1.596 1.00 0.00 H new ATOM 0 HA SER A 53 9.444 5.782 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.746 3.685 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.517 4.591 1.146 1.00 0.00 H new ATOM 0 HG SER A 53 7.492 3.042 -0.483 1.00 0.00 H new ATOM 841 N PRO A 54 11.647 4.969 1.415 1.00 0.00 N ATOM 842 CA PRO A 54 13.056 4.660 1.716 1.00 0.00 C ATOM 843 C PRO A 54 13.285 3.228 2.211 1.00 0.00 C ATOM 844 O PRO A 54 14.082 2.486 1.637 1.00 0.00 O ATOM 845 CB PRO A 54 13.407 5.659 2.819 1.00 0.00 C ATOM 846 CG PRO A 54 12.483 6.804 2.600 1.00 0.00 C ATOM 847 CD PRO A 54 11.203 6.206 2.086 1.00 0.00 C ATOM 0 HA PRO A 54 13.672 4.736 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.268 5.222 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.449 5.973 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.314 7.352 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.900 7.511 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.505 5.995 2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.695 6.878 1.394 1.00 0.00 H new ATOM 855 N GLU A 55 12.579 2.846 3.271 1.00 0.00 N ATOM 856 CA GLU A 55 12.769 1.534 3.888 1.00 0.00 C ATOM 857 C GLU A 55 12.413 0.412 2.916 1.00 0.00 C ATOM 858 O GLU A 55 13.125 -0.589 2.821 1.00 0.00 O ATOM 859 CB GLU A 55 11.932 1.415 5.165 1.00 0.00 C ATOM 860 CG GLU A 55 12.186 0.129 5.934 1.00 0.00 C ATOM 861 CD GLU A 55 11.453 0.088 7.258 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.825 0.862 8.164 1.00 0.00 O ATOM 863 OE2 GLU A 55 10.521 -0.727 7.407 1.00 0.00 O ATOM 0 H GLU A 55 11.870 3.425 3.722 1.00 0.00 H new ATOM 0 HA GLU A 55 13.823 1.436 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.147 2.265 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.875 1.472 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.877 -0.721 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.256 0.022 6.112 1.00 0.00 H new ATOM 870 N LEU A 56 11.328 0.600 2.179 1.00 0.00 N ATOM 871 CA LEU A 56 10.865 -0.401 1.230 1.00 0.00 C ATOM 872 C LEU A 56 11.872 -0.539 0.089 1.00 0.00 C ATOM 873 O LEU A 56 12.151 -1.643 -0.377 1.00 0.00 O ATOM 874 CB LEU A 56 9.474 -0.009 0.701 1.00 0.00 C ATOM 875 CG LEU A 56 8.620 -1.135 0.092 1.00 0.00 C ATOM 876 CD1 LEU A 56 9.131 -1.549 -1.279 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.580 -2.336 1.025 1.00 0.00 C ATOM 0 H LEU A 56 10.750 1.440 2.221 1.00 0.00 H new ATOM 0 HA LEU A 56 10.782 -1.368 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.912 0.438 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.604 0.765 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 56 7.608 -0.749 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.502 -2.346 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.100 -0.693 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.157 -1.906 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.972 -3.123 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.593 -2.706 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.147 -2.040 1.980 1.00 0.00 H new ATOM 889 N ALA A 57 12.431 0.590 -0.335 1.00 0.00 N ATOM 890 CA ALA A 57 13.418 0.602 -1.409 1.00 0.00 C ATOM 891 C ALA A 57 14.674 -0.168 -1.013 1.00 0.00 C ATOM 892 O ALA A 57 15.297 -0.834 -1.841 1.00 0.00 O ATOM 893 CB ALA A 57 13.771 2.032 -1.783 1.00 0.00 C ATOM 0 H ALA A 57 12.217 1.510 0.050 1.00 0.00 H new ATOM 0 HA ALA A 57 12.980 0.107 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.509 2.027 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.874 2.553 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.184 2.544 -0.914 1.00 0.00 H new ATOM 899 N GLU A 58 15.051 -0.067 0.250 1.00 0.00 N ATOM 900 CA GLU A 58 16.185 -0.814 0.766 1.00 0.00 C ATOM 901 C GLU A 58 15.830 -2.286 0.907 1.00 0.00 C ATOM 902 O GLU A 58 16.604 -3.163 0.532 1.00 0.00 O ATOM 903 CB GLU A 58 16.617 -0.259 2.117 1.00 0.00 C ATOM 904 CG GLU A 58 17.245 1.121 2.034 1.00 0.00 C ATOM 905 CD GLU A 58 18.427 1.170 1.089 1.00 0.00 C ATOM 906 OE1 GLU A 58 19.553 0.869 1.523 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.237 1.525 -0.096 1.00 0.00 O ATOM 0 H GLU A 58 14.587 0.526 0.938 1.00 0.00 H new ATOM 0 HA GLU A 58 17.010 -0.713 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.750 -0.216 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.330 -0.947 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.493 1.839 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.567 1.429 3.029 1.00 0.00 H new ATOM 914 N LEU A 59 14.651 -2.534 1.449 1.00 0.00 N ATOM 915 CA LEU A 59 14.146 -3.885 1.632 1.00 0.00 C ATOM 916 C LEU A 59 14.195 -4.677 0.326 1.00 0.00 C ATOM 917 O LEU A 59 14.654 -5.817 0.311 1.00 0.00 O ATOM 918 CB LEU A 59 12.713 -3.833 2.165 1.00 0.00 C ATOM 919 CG LEU A 59 12.114 -5.183 2.546 1.00 0.00 C ATOM 920 CD1 LEU A 59 12.865 -5.787 3.722 1.00 0.00 C ATOM 921 CD2 LEU A 59 10.636 -5.034 2.871 1.00 0.00 C ATOM 0 H LEU A 59 14.016 -1.805 1.775 1.00 0.00 H new ATOM 0 HA LEU A 59 14.783 -4.394 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.691 -3.183 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.077 -3.371 1.409 1.00 0.00 H new ATOM 0 HG LEU A 59 12.212 -5.858 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.424 -6.750 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.911 -5.928 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.799 -5.117 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.223 -6.006 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.515 -4.344 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.109 -4.645 1.999 1.00 0.00 H new ATOM 933 N LEU A 60 13.740 -4.066 -0.767 1.00 0.00 N ATOM 934 CA LEU A 60 13.748 -4.726 -2.071 1.00 0.00 C ATOM 935 C LEU A 60 15.171 -4.843 -2.623 1.00 0.00 C ATOM 936 O LEU A 60 15.477 -5.748 -3.395 1.00 0.00 O ATOM 937 CB LEU A 60 12.817 -3.999 -3.064 1.00 0.00 C ATOM 938 CG LEU A 60 13.163 -2.541 -3.404 1.00 0.00 C ATOM 939 CD1 LEU A 60 14.191 -2.467 -4.525 1.00 0.00 C ATOM 940 CD2 LEU A 60 11.907 -1.776 -3.789 1.00 0.00 C ATOM 0 H LEU A 60 13.363 -3.118 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 60 13.365 -5.738 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.801 -4.569 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.805 -4.022 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 60 13.598 -2.082 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.416 -1.423 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.103 -2.978 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.791 -2.947 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.168 -0.745 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.448 -2.245 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.203 -1.789 -2.957 1.00 0.00 H new ATOM 952 N ARG A 61 16.031 -3.907 -2.238 1.00 0.00 N ATOM 953 CA ARG A 61 17.421 -3.929 -2.670 1.00 0.00 C ATOM 954 C ARG A 61 18.146 -5.118 -2.049 1.00 0.00 C ATOM 955 O ARG A 61 18.962 -5.771 -2.702 1.00 0.00 O ATOM 956 CB ARG A 61 18.127 -2.628 -2.278 1.00 0.00 C ATOM 957 CG ARG A 61 19.521 -2.485 -2.872 1.00 0.00 C ATOM 958 CD ARG A 61 19.464 -2.418 -4.389 1.00 0.00 C ATOM 959 NE ARG A 61 20.788 -2.305 -4.994 1.00 0.00 N ATOM 960 CZ ARG A 61 21.086 -1.447 -5.966 1.00 0.00 C ATOM 961 NH1 ARG A 61 20.171 -0.585 -6.392 1.00 0.00 N ATOM 962 NH2 ARG A 61 22.305 -1.430 -6.495 1.00 0.00 N ATOM 0 H ARG A 61 15.790 -3.125 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 61 17.442 -4.025 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.517 -1.783 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 61 18.198 -2.577 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.995 -1.584 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 61 20.139 -3.329 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 61 18.969 -3.311 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.857 -1.564 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 61 21.527 -2.919 -4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.241 -0.581 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.398 0.073 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.017 -2.077 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 61 22.528 -0.770 -7.240 1.00 0.00 H new ATOM 976 N GLN A 62 17.836 -5.393 -0.789 1.00 0.00 N ATOM 977 CA GLN A 62 18.463 -6.489 -0.066 1.00 0.00 C ATOM 978 C GLN A 62 17.737 -7.814 -0.320 1.00 0.00 C ATOM 979 O GLN A 62 18.355 -8.797 -0.731 1.00 0.00 O ATOM 980 CB GLN A 62 18.507 -6.185 1.436 1.00 0.00 C ATOM 981 CG GLN A 62 19.705 -5.341 1.876 1.00 0.00 C ATOM 982 CD GLN A 62 19.745 -3.953 1.255 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.317 -3.757 0.184 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.154 -2.975 1.928 1.00 0.00 N ATOM 0 H GLN A 62 17.151 -4.869 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 62 19.484 -6.590 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.590 -5.666 1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.521 -7.127 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.688 -5.242 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.623 -5.870 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.689 -3.174 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.165 -2.024 1.560 1.00 0.00 H new ATOM 993 N GLN A 63 16.432 -7.842 -0.086 1.00 0.00 N ATOM 994 CA GLN A 63 15.657 -9.063 -0.273 1.00 0.00 C ATOM 995 C GLN A 63 15.279 -9.242 -1.735 1.00 0.00 C ATOM 996 O GLN A 63 14.743 -8.334 -2.358 1.00 0.00 O ATOM 997 CB GLN A 63 14.391 -9.055 0.580 1.00 0.00 C ATOM 998 CG GLN A 63 14.653 -9.084 2.075 1.00 0.00 C ATOM 999 CD GLN A 63 13.389 -9.352 2.864 1.00 0.00 C ATOM 1000 OE1 GLN A 63 12.259 -8.943 2.314 1.00 0.00 O flip ATOM 1001 NE2 GLN A 63 13.428 -9.921 3.951 1.00 0.00 N flip ATOM 0 H GLN A 63 15.890 -7.039 0.232 1.00 0.00 H new ATOM 0 HA GLN A 63 16.285 -9.896 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.810 -8.165 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.779 -9.916 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.391 -9.854 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.081 -8.131 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.323 -10.220 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.565 -10.095 4.467 1.00 0.00 H new ATOM 1010 N HIS A 64 15.573 -10.411 -2.281 1.00 0.00 N ATOM 1011 CA HIS A 64 15.237 -10.707 -3.669 1.00 0.00 C ATOM 1012 C HIS A 64 14.359 -11.949 -3.740 1.00 0.00 C ATOM 1013 O HIS A 64 13.860 -12.313 -4.801 1.00 0.00 O ATOM 1014 CB HIS A 64 16.502 -10.920 -4.509 1.00 0.00 C ATOM 1015 CG HIS A 64 17.474 -9.778 -4.447 1.00 0.00 C ATOM 1016 ND1 HIS A 64 18.836 -9.955 -4.452 1.00 0.00 N ATOM 1017 CD2 HIS A 64 17.272 -8.442 -4.361 1.00 0.00 C ATOM 1018 CE1 HIS A 64 19.431 -8.783 -4.365 1.00 0.00 C ATOM 1019 NE2 HIS A 64 18.506 -7.844 -4.308 1.00 0.00 N ATOM 0 H HIS A 64 16.042 -11.170 -1.788 1.00 0.00 H new ATOM 0 HA HIS A 64 14.693 -9.854 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 64 17.002 -11.828 -4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.213 -11.082 -5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 64 16.316 -7.940 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.498 -8.618 -4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 64 18.679 -6.841 -4.237 1.00 0.00 H new ATOM 1028 N SER A 65 14.191 -12.603 -2.599 1.00 0.00 N ATOM 1029 CA SER A 65 13.369 -13.798 -2.513 1.00 0.00 C ATOM 1030 C SER A 65 11.947 -13.441 -2.085 1.00 0.00 C ATOM 1031 O SER A 65 10.977 -14.062 -2.523 1.00 0.00 O ATOM 1032 CB SER A 65 13.979 -14.773 -1.506 1.00 0.00 C ATOM 1033 OG SER A 65 15.381 -14.894 -1.698 1.00 0.00 O ATOM 0 H SER A 65 14.617 -12.322 -1.716 1.00 0.00 H new ATOM 0 HA SER A 65 13.331 -14.266 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.776 -14.428 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.509 -15.751 -1.611 1.00 0.00 H new ATOM 0 HG SER A 65 15.748 -15.522 -1.041 1.00 0.00 H new ATOM 1039 N ASP A 66 11.835 -12.426 -1.238 1.00 0.00 N ATOM 1040 CA ASP A 66 10.548 -12.024 -0.680 1.00 0.00 C ATOM 1041 C ASP A 66 9.937 -10.901 -1.514 1.00 0.00 C ATOM 1042 O ASP A 66 9.179 -11.157 -2.452 1.00 0.00 O ATOM 1043 CB ASP A 66 10.734 -11.583 0.775 1.00 0.00 C ATOM 1044 CG ASP A 66 9.435 -11.215 1.460 1.00 0.00 C ATOM 1045 OD1 ASP A 66 9.008 -10.052 1.337 1.00 0.00 O ATOM 1046 OD2 ASP A 66 8.859 -12.082 2.148 1.00 0.00 O ATOM 0 H ASP A 66 12.624 -11.863 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 66 9.864 -12.872 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.216 -12.387 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.408 -10.727 0.805 1.00 0.00 H new ATOM 1051 N VAL A 67 10.291 -9.663 -1.186 1.00 0.00 N ATOM 1052 CA VAL A 67 9.861 -8.511 -1.961 1.00 0.00 C ATOM 1053 C VAL A 67 10.671 -8.422 -3.254 1.00 0.00 C ATOM 1054 O VAL A 67 11.901 -8.418 -3.232 1.00 0.00 O ATOM 1055 CB VAL A 67 9.986 -7.198 -1.150 1.00 0.00 C ATOM 1056 CG1 VAL A 67 11.381 -7.038 -0.574 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.616 -5.993 -2.007 1.00 0.00 C ATOM 0 H VAL A 67 10.878 -9.434 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 67 8.807 -8.643 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 67 9.284 -7.254 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.437 -6.107 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.600 -7.876 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.109 -7.016 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.712 -5.083 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.284 -5.939 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.587 -6.095 -2.353 1.00 0.00 H new ATOM 1116 N ARG A 71 6.627 -9.689 -11.583 1.00 0.00 N ATOM 1117 CA ARG A 71 5.973 -9.490 -12.873 1.00 0.00 C ATOM 1118 C ARG A 71 4.515 -9.973 -12.838 1.00 0.00 C ATOM 1119 O ARG A 71 3.969 -10.437 -13.836 1.00 0.00 O ATOM 1120 CB ARG A 71 6.791 -10.198 -13.961 1.00 0.00 C ATOM 1121 CG ARG A 71 6.772 -9.502 -15.323 1.00 0.00 C ATOM 1122 CD ARG A 71 5.581 -9.913 -16.178 1.00 0.00 C ATOM 1123 NE ARG A 71 5.801 -11.182 -16.869 1.00 0.00 N ATOM 1124 CZ ARG A 71 4.976 -12.228 -16.808 1.00 0.00 C ATOM 1125 NH1 ARG A 71 3.922 -12.215 -16.002 1.00 0.00 N ATOM 1126 NH2 ARG A 71 5.218 -13.295 -17.552 1.00 0.00 N ATOM 0 HA ARG A 71 5.936 -8.425 -13.103 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.824 -10.282 -13.624 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.412 -11.213 -14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.751 -8.422 -15.174 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.694 -9.733 -15.857 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.696 -9.995 -15.547 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.378 -9.133 -16.912 1.00 0.00 H new ATOM 0 HE ARG A 71 6.643 -11.274 -17.437 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.735 -11.399 -15.420 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.299 -13.021 -15.965 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.031 -13.314 -18.167 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.591 -14.099 -17.510 1.00 0.00 H new ATOM 1140 N HIS A 72 3.881 -9.847 -11.676 1.00 0.00 N ATOM 1141 CA HIS A 72 2.468 -10.183 -11.539 1.00 0.00 C ATOM 1142 C HIS A 72 1.611 -9.083 -12.158 1.00 0.00 C ATOM 1143 O HIS A 72 0.431 -9.284 -12.438 1.00 0.00 O ATOM 1144 CB HIS A 72 2.097 -10.393 -10.065 1.00 0.00 C ATOM 1145 CG HIS A 72 2.084 -11.838 -9.627 1.00 0.00 C ATOM 1146 ND1 HIS A 72 3.219 -12.540 -9.273 1.00 0.00 N ATOM 1147 CD2 HIS A 72 1.051 -12.705 -9.464 1.00 0.00 C ATOM 1148 CE1 HIS A 72 2.884 -13.766 -8.912 1.00 0.00 C ATOM 1149 NE2 HIS A 72 1.576 -13.894 -9.017 1.00 0.00 N ATOM 0 H HIS A 72 4.322 -9.516 -10.818 1.00 0.00 H new ATOM 0 HA HIS A 72 2.279 -11.117 -12.068 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.803 -9.843 -9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.112 -9.962 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.008 -12.498 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.568 -14.535 -8.585 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.042 -14.736 -8.802 1.00 0.00 H new ATOM 1158 N LEU A 73 2.226 -7.923 -12.367 1.00 0.00 N ATOM 1159 CA LEU A 73 1.575 -6.797 -13.025 1.00 0.00 C ATOM 1160 C LEU A 73 2.530 -6.151 -14.027 1.00 0.00 C ATOM 1161 O LEU A 73 2.256 -6.105 -15.224 1.00 0.00 O ATOM 1162 CB LEU A 73 1.113 -5.757 -11.996 1.00 0.00 C ATOM 1163 CG LEU A 73 -0.089 -6.169 -11.143 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.363 -5.124 -10.076 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -1.314 -6.362 -12.022 1.00 0.00 C ATOM 0 H LEU A 73 3.189 -7.738 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 73 0.699 -7.170 -13.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.948 -5.531 -11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.865 -4.835 -12.522 1.00 0.00 H new ATOM 0 HG LEU A 73 0.140 -7.114 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.221 -5.431 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.511 -5.023 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.576 -4.166 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.163 -6.655 -11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.544 -5.428 -12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.115 -7.141 -12.758 1.00 0.00 H new ATOM 1177 N ASN A 74 3.662 -5.670 -13.524 1.00 0.00 N ATOM 1178 CA ASN A 74 4.673 -5.037 -14.363 1.00 0.00 C ATOM 1179 C ASN A 74 6.060 -5.322 -13.790 1.00 0.00 C ATOM 1180 O ASN A 74 6.175 -5.836 -12.676 1.00 0.00 O ATOM 1181 CB ASN A 74 4.416 -3.524 -14.452 1.00 0.00 C ATOM 1182 CG ASN A 74 5.305 -2.822 -15.467 1.00 0.00 C ATOM 1183 OD1 ASN A 74 6.370 -2.305 -15.132 1.00 0.00 O ATOM 1184 ND2 ASN A 74 4.882 -2.812 -16.720 1.00 0.00 N ATOM 0 H ASN A 74 3.903 -5.707 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 74 4.619 -5.448 -15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.372 -3.355 -14.715 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.574 -3.077 -13.470 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.444 -2.366 -17.445 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.993 -3.251 -16.962 1.00 0.00 H new ATOM 1191 N LYS A 75 7.099 -5.011 -14.553 1.00 0.00 N ATOM 1192 CA LYS A 75 8.467 -5.272 -14.132 1.00 0.00 C ATOM 1193 C LYS A 75 9.007 -4.137 -13.267 1.00 0.00 C ATOM 1194 O LYS A 75 9.498 -4.364 -12.161 1.00 0.00 O ATOM 1195 CB LYS A 75 9.367 -5.457 -15.356 1.00 0.00 C ATOM 1196 CG LYS A 75 10.831 -5.688 -15.014 1.00 0.00 C ATOM 1197 CD LYS A 75 11.052 -7.040 -14.357 1.00 0.00 C ATOM 1198 CE LYS A 75 12.508 -7.231 -13.959 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.436 -6.955 -15.090 1.00 0.00 N ATOM 0 H LYS A 75 7.019 -4.575 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 75 8.465 -6.186 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.002 -6.303 -15.939 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.287 -4.574 -15.991 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.431 -5.623 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.177 -4.899 -14.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.418 -7.126 -13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.753 -7.833 -15.043 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.746 -6.570 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.657 -8.252 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.387 -7.303 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.094 -7.438 -15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.476 -5.930 -15.264 1.00 0.00 H new ATOM 1213 N ALA A 76 8.909 -2.915 -13.770 1.00 0.00 N ATOM 1214 CA ALA A 76 9.496 -1.770 -13.093 1.00 0.00 C ATOM 1215 C ALA A 76 8.535 -0.593 -13.066 1.00 0.00 C ATOM 1216 O ALA A 76 8.385 0.123 -14.056 1.00 0.00 O ATOM 1217 CB ALA A 76 10.804 -1.378 -13.760 1.00 0.00 C ATOM 0 H ALA A 76 8.430 -2.692 -14.642 1.00 0.00 H new ATOM 0 HA ALA A 76 9.700 -2.055 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.233 -0.519 -13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.501 -2.215 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.618 -1.118 -14.802 1.00 0.00 H new ATOM 1223 N HIS A 77 7.875 -0.417 -11.930 1.00 0.00 N ATOM 1224 CA HIS A 77 6.963 0.702 -11.720 1.00 0.00 C ATOM 1225 C HIS A 77 6.460 0.655 -10.288 1.00 0.00 C ATOM 1226 O HIS A 77 6.428 1.663 -9.588 1.00 0.00 O ATOM 1227 CB HIS A 77 5.777 0.643 -12.690 1.00 0.00 C ATOM 1228 CG HIS A 77 5.287 1.994 -13.114 1.00 0.00 C ATOM 1229 ND1 HIS A 77 4.914 2.283 -14.409 1.00 0.00 N ATOM 1230 CD2 HIS A 77 5.116 3.141 -12.415 1.00 0.00 C ATOM 1231 CE1 HIS A 77 4.541 3.546 -14.487 1.00 0.00 C ATOM 1232 NE2 HIS A 77 4.653 4.093 -13.291 1.00 0.00 N ATOM 0 H HIS A 77 7.955 -1.043 -11.129 1.00 0.00 H new ATOM 0 HA HIS A 77 7.497 1.634 -11.905 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.068 0.076 -13.574 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.958 0.099 -12.219 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.308 3.282 -11.362 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.201 4.049 -15.380 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.433 5.061 -13.056 1.00 0.00 H new ATOM 1241 N TRP A 78 6.068 -0.536 -9.871 1.00 0.00 N ATOM 1242 CA TRP A 78 5.682 -0.783 -8.496 1.00 0.00 C ATOM 1243 C TRP A 78 6.612 -1.828 -7.903 1.00 0.00 C ATOM 1244 O TRP A 78 7.529 -2.303 -8.574 1.00 0.00 O ATOM 1245 CB TRP A 78 4.235 -1.281 -8.416 1.00 0.00 C ATOM 1246 CG TRP A 78 3.221 -0.295 -8.918 1.00 0.00 C ATOM 1247 CD1 TRP A 78 2.624 -0.284 -10.149 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.684 0.821 -8.201 1.00 0.00 C ATOM 1249 NE1 TRP A 78 1.748 0.770 -10.236 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.766 1.464 -9.053 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.886 1.337 -6.917 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 1.057 2.599 -8.663 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 2.182 2.463 -6.533 1.00 0.00 C ATOM 1254 CH2 TRP A 78 1.277 3.081 -7.402 1.00 0.00 C ATOM 0 H TRP A 78 6.009 -1.356 -10.475 1.00 0.00 H new ATOM 0 HA TRP A 78 5.755 0.149 -7.936 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.146 -2.202 -8.992 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.004 -1.529 -7.380 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.814 -0.999 -10.936 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.176 1.000 -11.049 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.580 0.864 -6.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.359 3.080 -9.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 2.333 2.872 -5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.740 3.958 -7.070 1.00 0.00 H new ATOM 1265 N SER A 79 6.382 -2.181 -6.656 1.00 0.00 N ATOM 1266 CA SER A 79 7.138 -3.240 -6.016 1.00 0.00 C ATOM 1267 C SER A 79 6.186 -4.191 -5.311 1.00 0.00 C ATOM 1268 O SER A 79 5.292 -3.757 -4.585 1.00 0.00 O ATOM 1269 CB SER A 79 8.141 -2.655 -5.025 1.00 0.00 C ATOM 1270 OG SER A 79 8.961 -1.684 -5.654 1.00 0.00 O ATOM 0 H SER A 79 5.674 -1.749 -6.062 1.00 0.00 H new ATOM 0 HA SER A 79 7.693 -3.791 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.610 -2.202 -4.188 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.762 -3.452 -4.615 1.00 0.00 H new ATOM 0 HG SER A 79 9.758 -2.119 -6.023 1.00 0.00 H new ATOM 1276 N THR A 80 6.363 -5.480 -5.542 1.00 0.00 N ATOM 1277 CA THR A 80 5.463 -6.473 -4.988 1.00 0.00 C ATOM 1278 C THR A 80 5.965 -6.964 -3.635 1.00 0.00 C ATOM 1279 O THR A 80 7.019 -7.593 -3.542 1.00 0.00 O ATOM 1280 CB THR A 80 5.302 -7.666 -5.952 1.00 0.00 C ATOM 1281 OG1 THR A 80 5.035 -7.184 -7.279 1.00 0.00 O ATOM 1282 CG2 THR A 80 4.167 -8.576 -5.507 1.00 0.00 C ATOM 0 H THR A 80 7.120 -5.862 -6.108 1.00 0.00 H new ATOM 0 HA THR A 80 4.490 -6.000 -4.851 1.00 0.00 H new ATOM 0 HB THR A 80 6.229 -8.239 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.935 -7.944 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.074 -9.409 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.378 -8.959 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.234 -8.012 -5.490 1.00 0.00 H new ATOM 1290 N VAL A 81 5.208 -6.654 -2.594 1.00 0.00 N ATOM 1291 CA VAL A 81 5.529 -7.093 -1.248 1.00 0.00 C ATOM 1292 C VAL A 81 4.524 -8.143 -0.805 1.00 0.00 C ATOM 1293 O VAL A 81 3.321 -7.876 -0.746 1.00 0.00 O ATOM 1294 CB VAL A 81 5.506 -5.918 -0.244 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.992 -6.363 1.128 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.335 -4.749 -0.756 1.00 0.00 C ATOM 0 H VAL A 81 4.358 -6.094 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 81 6.536 -7.510 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 81 4.473 -5.584 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.966 -5.517 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.345 -7.156 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.014 -6.735 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.303 -3.935 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.367 -5.069 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.929 -4.404 -1.707 1.00 0.00 H new ATOM 1306 N TYR A 82 5.008 -9.333 -0.517 1.00 0.00 N ATOM 1307 CA TYR A 82 4.137 -10.419 -0.114 1.00 0.00 C ATOM 1308 C TYR A 82 3.953 -10.427 1.395 1.00 0.00 C ATOM 1309 O TYR A 82 4.903 -10.636 2.146 1.00 0.00 O ATOM 1310 CB TYR A 82 4.691 -11.765 -0.593 1.00 0.00 C ATOM 1311 CG TYR A 82 4.617 -11.955 -2.094 1.00 0.00 C ATOM 1312 CD1 TYR A 82 3.453 -12.417 -2.694 1.00 0.00 C ATOM 1313 CD2 TYR A 82 5.706 -11.669 -2.911 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.372 -12.588 -4.062 1.00 0.00 C ATOM 1315 CE2 TYR A 82 5.633 -11.839 -4.281 1.00 0.00 C ATOM 1316 CZ TYR A 82 4.464 -12.299 -4.850 1.00 0.00 C ATOM 1317 OH TYR A 82 4.383 -12.464 -6.215 1.00 0.00 O ATOM 0 H TYR A 82 5.999 -9.574 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 82 3.164 -10.264 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.730 -11.854 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.139 -12.569 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.595 -12.647 -2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.623 -11.309 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.458 -12.946 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.487 -11.613 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 82 5.237 -12.216 -6.626 1.00 0.00 H new ATOM 1327 N LEU A 83 2.723 -10.184 1.831 1.00 0.00 N ATOM 1328 CA LEU A 83 2.392 -10.239 3.247 1.00 0.00 C ATOM 1329 C LEU A 83 2.512 -11.677 3.722 1.00 0.00 C ATOM 1330 O LEU A 83 2.771 -11.956 4.892 1.00 0.00 O ATOM 1331 CB LEU A 83 0.976 -9.710 3.489 1.00 0.00 C ATOM 1332 CG LEU A 83 0.683 -8.333 2.889 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.723 -7.884 3.252 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.709 -7.310 3.353 1.00 0.00 C ATOM 0 H LEU A 83 1.939 -9.947 1.223 1.00 0.00 H new ATOM 0 HA LEU A 83 3.083 -9.610 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.263 -10.426 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.801 -9.665 4.564 1.00 0.00 H new ATOM 0 HG LEU A 83 0.752 -8.412 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.915 -6.903 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.446 -8.601 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.818 -7.825 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.480 -6.339 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.679 -7.232 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.704 -7.625 3.039 1.00 0.00 H new ATOM 1346 N ASP A 84 2.320 -12.590 2.780 1.00 0.00 N ATOM 1347 CA ASP A 84 2.606 -13.994 2.998 1.00 0.00 C ATOM 1348 C ASP A 84 4.094 -14.230 2.748 1.00 0.00 C ATOM 1349 O ASP A 84 4.490 -14.835 1.751 1.00 0.00 O ATOM 1350 CB ASP A 84 1.745 -14.863 2.070 1.00 0.00 C ATOM 1351 CG ASP A 84 2.006 -16.352 2.227 1.00 0.00 C ATOM 1352 OD1 ASP A 84 1.661 -16.916 3.285 1.00 0.00 O ATOM 1353 OD2 ASP A 84 2.535 -16.969 1.278 1.00 0.00 O ATOM 0 H ASP A 84 1.963 -12.376 1.849 1.00 0.00 H new ATOM 0 HA ASP A 84 2.364 -14.271 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.692 -14.663 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.934 -14.575 1.036 1.00 0.00 H new ATOM 1358 N GLY A 85 4.917 -13.685 3.630 1.00 0.00 N ATOM 1359 CA GLY A 85 6.353 -13.772 3.463 1.00 0.00 C ATOM 1360 C GLY A 85 7.106 -13.491 4.745 1.00 0.00 C ATOM 1361 O GLY A 85 6.674 -13.893 5.827 1.00 0.00 O ATOM 0 H GLY A 85 4.614 -13.181 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.614 -14.768 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.670 -13.064 2.697 1.00 0.00 H new ATOM 1365 N SER A 86 8.218 -12.783 4.629 1.00 0.00 N ATOM 1366 CA SER A 86 9.119 -12.575 5.753 1.00 0.00 C ATOM 1367 C SER A 86 8.725 -11.357 6.598 1.00 0.00 C ATOM 1368 O SER A 86 9.200 -11.206 7.729 1.00 0.00 O ATOM 1369 CB SER A 86 10.552 -12.411 5.236 1.00 0.00 C ATOM 1370 OG SER A 86 11.488 -12.338 6.302 1.00 0.00 O ATOM 0 H SER A 86 8.520 -12.340 3.762 1.00 0.00 H new ATOM 0 HA SER A 86 9.050 -13.451 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.803 -13.250 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.619 -11.508 4.630 1.00 0.00 H new ATOM 0 HG SER A 86 11.039 -12.013 7.110 1.00 0.00 H new ATOM 1376 N LEU A 87 7.873 -10.490 6.061 1.00 0.00 N ATOM 1377 CA LEU A 87 7.500 -9.261 6.763 1.00 0.00 C ATOM 1378 C LEU A 87 6.503 -9.535 7.886 1.00 0.00 C ATOM 1379 O LEU A 87 5.455 -10.143 7.660 1.00 0.00 O ATOM 1380 CB LEU A 87 6.923 -8.220 5.795 1.00 0.00 C ATOM 1381 CG LEU A 87 7.945 -7.477 4.925 1.00 0.00 C ATOM 1382 CD1 LEU A 87 9.065 -6.901 5.782 1.00 0.00 C ATOM 1383 CD2 LEU A 87 8.511 -8.386 3.853 1.00 0.00 C ATOM 0 H LEU A 87 7.430 -10.611 5.150 1.00 0.00 H new ATOM 0 HA LEU A 87 8.412 -8.860 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.210 -8.718 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.364 -7.485 6.373 1.00 0.00 H new ATOM 0 HG LEU A 87 7.429 -6.653 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.779 -6.378 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.646 -6.203 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.573 -7.709 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.233 -7.833 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.005 -9.237 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.703 -8.742 3.214 1.00 0.00 H new ATOM 1395 N PRO A 88 6.820 -9.086 9.113 1.00 0.00 N ATOM 1396 CA PRO A 88 5.945 -9.256 10.274 1.00 0.00 C ATOM 1397 C PRO A 88 4.806 -8.237 10.298 1.00 0.00 C ATOM 1398 O PRO A 88 4.887 -7.187 9.657 1.00 0.00 O ATOM 1399 CB PRO A 88 6.888 -9.034 11.454 1.00 0.00 C ATOM 1400 CG PRO A 88 7.924 -8.095 10.938 1.00 0.00 C ATOM 1401 CD PRO A 88 8.068 -8.378 9.464 1.00 0.00 C ATOM 0 HA PRO A 88 5.452 -10.228 10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.360 -8.611 12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.334 -9.971 11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.627 -7.060 11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.872 -8.242 11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.180 -7.458 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.946 -8.991 9.259 1.00 0.00 H new ATOM 1409 N ASP A 89 3.760 -8.551 11.059 1.00 0.00 N ATOM 1410 CA ASP A 89 2.552 -7.723 11.134 1.00 0.00 C ATOM 1411 C ASP A 89 2.879 -6.255 11.404 1.00 0.00 C ATOM 1412 O ASP A 89 2.408 -5.368 10.694 1.00 0.00 O ATOM 1413 CB ASP A 89 1.622 -8.241 12.237 1.00 0.00 C ATOM 1414 CG ASP A 89 1.144 -9.656 11.988 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.955 -10.597 12.144 1.00 0.00 O ATOM 1416 OD2 ASP A 89 -0.039 -9.837 11.643 1.00 0.00 O ATOM 0 H ASP A 89 3.723 -9.387 11.643 1.00 0.00 H new ATOM 0 HA ASP A 89 2.058 -7.790 10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.144 -8.202 13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.759 -7.580 12.318 1.00 0.00 H new ATOM 1421 N SER A 90 3.693 -6.012 12.427 1.00 0.00 N ATOM 1422 CA SER A 90 4.037 -4.657 12.851 1.00 0.00 C ATOM 1423 C SER A 90 4.638 -3.835 11.707 1.00 0.00 C ATOM 1424 O SER A 90 4.286 -2.670 11.515 1.00 0.00 O ATOM 1425 CB SER A 90 5.019 -4.726 14.021 1.00 0.00 C ATOM 1426 OG SER A 90 4.535 -5.599 15.029 1.00 0.00 O ATOM 0 H SER A 90 4.132 -6.745 12.984 1.00 0.00 H new ATOM 0 HA SER A 90 3.120 -4.157 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.990 -5.073 13.668 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.168 -3.729 14.437 1.00 0.00 H new ATOM 0 HG SER A 90 5.177 -5.632 15.769 1.00 0.00 H new ATOM 1432 N GLN A 91 5.523 -4.456 10.937 1.00 0.00 N ATOM 1433 CA GLN A 91 6.197 -3.770 9.843 1.00 0.00 C ATOM 1434 C GLN A 91 5.197 -3.471 8.727 1.00 0.00 C ATOM 1435 O GLN A 91 5.237 -2.409 8.107 1.00 0.00 O ATOM 1436 CB GLN A 91 7.362 -4.630 9.332 1.00 0.00 C ATOM 1437 CG GLN A 91 8.427 -3.869 8.548 1.00 0.00 C ATOM 1438 CD GLN A 91 8.006 -3.545 7.128 1.00 0.00 C ATOM 1439 OE1 GLN A 91 7.227 -4.277 6.519 1.00 0.00 O ATOM 1440 NE2 GLN A 91 8.533 -2.459 6.585 1.00 0.00 N ATOM 0 H GLN A 91 5.790 -5.434 11.050 1.00 0.00 H new ATOM 0 HA GLN A 91 6.604 -2.823 10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.837 -5.116 10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.960 -5.420 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.661 -2.942 9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.342 -4.460 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.175 -1.879 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.297 -2.202 5.627 1.00 0.00 H new ATOM 1449 N ILE A 92 4.279 -4.403 8.507 1.00 0.00 N ATOM 1450 CA ILE A 92 3.239 -4.243 7.498 1.00 0.00 C ATOM 1451 C ILE A 92 2.324 -3.062 7.834 1.00 0.00 C ATOM 1452 O ILE A 92 1.952 -2.282 6.953 1.00 0.00 O ATOM 1453 CB ILE A 92 2.407 -5.538 7.356 1.00 0.00 C ATOM 1454 CG1 ILE A 92 3.315 -6.687 6.902 1.00 0.00 C ATOM 1455 CG2 ILE A 92 1.256 -5.338 6.376 1.00 0.00 C ATOM 1456 CD1 ILE A 92 2.619 -8.027 6.809 1.00 0.00 C ATOM 0 H ILE A 92 4.233 -5.285 9.018 1.00 0.00 H new ATOM 0 HA ILE A 92 3.729 -4.038 6.546 1.00 0.00 H new ATOM 0 HB ILE A 92 1.977 -5.789 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.735 -6.440 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.150 -6.771 7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.685 -6.262 6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.606 -4.541 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.654 -5.067 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.331 -8.785 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.223 -8.300 7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.801 -7.963 6.091 1.00 0.00 H new ATOM 1468 N TYR A 93 1.980 -2.919 9.113 1.00 0.00 N ATOM 1469 CA TYR A 93 1.181 -1.780 9.562 1.00 0.00 C ATOM 1470 C TYR A 93 1.935 -0.479 9.315 1.00 0.00 C ATOM 1471 O TYR A 93 1.343 0.540 8.953 1.00 0.00 O ATOM 1472 CB TYR A 93 0.833 -1.897 11.049 1.00 0.00 C ATOM 1473 CG TYR A 93 -0.109 -3.035 11.377 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -1.329 -3.164 10.723 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.215 -3.973 12.349 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -2.195 -4.195 11.025 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.647 -5.010 12.656 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.851 -5.117 11.991 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.714 -6.144 12.295 1.00 0.00 O ATOM 0 H TYR A 93 2.240 -3.572 9.852 1.00 0.00 H new ATOM 0 HA TYR A 93 0.253 -1.778 8.990 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.754 -2.027 11.617 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.384 -0.961 11.380 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.604 -2.445 9.966 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.155 -3.891 12.874 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.139 -4.280 10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.379 -5.733 13.413 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.321 -6.705 12.995 1.00 0.00 H new ATOM 1489 N TYR A 94 3.247 -0.529 9.509 1.00 0.00 N ATOM 1490 CA TYR A 94 4.104 0.624 9.279 1.00 0.00 C ATOM 1491 C TYR A 94 4.094 1.014 7.804 1.00 0.00 C ATOM 1492 O TYR A 94 4.025 2.194 7.471 1.00 0.00 O ATOM 1493 CB TYR A 94 5.532 0.319 9.747 1.00 0.00 C ATOM 1494 CG TYR A 94 6.520 1.439 9.504 1.00 0.00 C ATOM 1495 CD1 TYR A 94 6.430 2.637 10.201 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.551 1.292 8.586 1.00 0.00 C ATOM 1497 CE1 TYR A 94 7.338 3.655 9.989 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.463 2.307 8.367 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.352 3.487 9.071 1.00 0.00 C ATOM 1500 OH TYR A 94 9.262 4.502 8.862 1.00 0.00 O ATOM 0 H TYR A 94 3.742 -1.362 9.827 1.00 0.00 H new ATOM 0 HA TYR A 94 3.720 1.466 9.855 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.512 0.093 10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.885 -0.578 9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.637 2.774 10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.642 0.369 8.033 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.254 4.580 10.541 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.258 2.176 7.648 1.00 0.00 H new ATOM 0 HH TYR A 94 9.913 4.223 8.184 1.00 0.00 H new ATOM 1510 N LEU A 95 4.149 0.014 6.930 1.00 0.00 N ATOM 1511 CA LEU A 95 4.135 0.244 5.488 1.00 0.00 C ATOM 1512 C LEU A 95 2.888 1.002 5.048 1.00 0.00 C ATOM 1513 O LEU A 95 2.984 2.053 4.416 1.00 0.00 O ATOM 1514 CB LEU A 95 4.211 -1.084 4.734 1.00 0.00 C ATOM 1515 CG LEU A 95 5.545 -1.823 4.829 1.00 0.00 C ATOM 1516 CD1 LEU A 95 5.483 -3.126 4.047 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.676 -0.949 4.311 1.00 0.00 C ATOM 0 H LEU A 95 4.204 -0.969 7.196 1.00 0.00 H new ATOM 0 HA LEU A 95 5.008 0.852 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.426 -1.740 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.994 -0.897 3.682 1.00 0.00 H new ATOM 0 HG LEU A 95 5.739 -2.054 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.440 -3.642 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.696 -3.759 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.269 -2.912 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.619 -1.491 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.488 -0.691 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.733 -0.038 4.906 1.00 0.00 H new ATOM 1529 N VAL A 96 1.721 0.466 5.390 1.00 0.00 N ATOM 1530 CA VAL A 96 0.451 1.059 4.974 1.00 0.00 C ATOM 1531 C VAL A 96 0.322 2.497 5.473 1.00 0.00 C ATOM 1532 O VAL A 96 -0.058 3.400 4.722 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.747 0.238 5.493 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.065 0.820 4.997 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.615 -1.218 5.080 1.00 0.00 C ATOM 0 H VAL A 96 1.626 -0.378 5.954 1.00 0.00 H new ATOM 0 HA VAL A 96 0.442 1.055 3.884 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.745 0.289 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.893 0.222 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.166 1.846 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.080 0.809 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.469 -1.782 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.584 -1.286 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.304 -1.632 5.496 1.00 0.00 H new ATOM 1545 N ASP A 97 0.657 2.699 6.738 1.00 0.00 N ATOM 1546 CA ASP A 97 0.548 4.012 7.363 1.00 0.00 C ATOM 1547 C ASP A 97 1.573 4.979 6.775 1.00 0.00 C ATOM 1548 O ASP A 97 1.318 6.178 6.667 1.00 0.00 O ATOM 1549 CB ASP A 97 0.729 3.878 8.875 1.00 0.00 C ATOM 1550 CG ASP A 97 0.559 5.186 9.618 1.00 0.00 C ATOM 1551 OD1 ASP A 97 -0.537 5.785 9.548 1.00 0.00 O ATOM 1552 OD2 ASP A 97 1.512 5.601 10.311 1.00 0.00 O ATOM 0 H ASP A 97 1.008 1.968 7.356 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.443 4.419 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.008 3.155 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.722 3.478 9.081 1.00 0.00 H new ATOM 1557 N ALA A 98 2.720 4.446 6.368 1.00 0.00 N ATOM 1558 CA ALA A 98 3.753 5.252 5.732 1.00 0.00 C ATOM 1559 C ALA A 98 3.294 5.736 4.361 1.00 0.00 C ATOM 1560 O ALA A 98 3.552 6.879 3.980 1.00 0.00 O ATOM 1561 CB ALA A 98 5.048 4.467 5.605 1.00 0.00 C ATOM 0 H ALA A 98 2.957 3.459 6.468 1.00 0.00 H new ATOM 0 HA ALA A 98 3.936 6.122 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.805 5.089 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.393 4.172 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.876 3.576 5.001 1.00 0.00 H new ATOM 1567 N SER A 99 2.615 4.864 3.620 1.00 0.00 N ATOM 1568 CA SER A 99 2.062 5.234 2.322 1.00 0.00 C ATOM 1569 C SER A 99 1.020 6.337 2.476 1.00 0.00 C ATOM 1570 O SER A 99 0.896 7.216 1.625 1.00 0.00 O ATOM 1571 CB SER A 99 1.451 4.013 1.631 1.00 0.00 C ATOM 1572 OG SER A 99 2.441 3.041 1.352 1.00 0.00 O ATOM 0 H SER A 99 2.435 3.899 3.896 1.00 0.00 H new ATOM 0 HA SER A 99 2.873 5.613 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.679 3.579 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.966 4.320 0.704 1.00 0.00 H new ATOM 0 HG SER A 99 2.735 2.624 2.189 1.00 0.00 H new ATOM 1578 N TYR A 100 0.282 6.295 3.572 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.669 7.347 3.877 1.00 0.00 C ATOM 1580 C TYR A 100 0.067 8.637 4.231 1.00 0.00 C ATOM 1581 O TYR A 100 -0.263 9.709 3.728 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.595 6.920 5.022 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.462 8.043 5.549 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.423 8.643 4.745 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.310 8.510 6.850 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.205 9.676 5.220 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -3.093 9.541 7.332 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.037 10.122 6.513 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.813 11.151 6.986 1.00 0.00 O ATOM 0 H TYR A 100 0.323 5.546 4.263 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.282 7.529 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -2.236 6.108 4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.991 6.524 5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.560 8.295 3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.569 8.060 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.946 10.133 4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.966 9.890 8.346 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.603 11.254 6.415 1.00 0.00 H new ATOM 1599 N GLN A 101 1.086 8.516 5.077 1.00 0.00 N ATOM 1600 CA GLN A 101 1.852 9.668 5.543 1.00 0.00 C ATOM 1601 C GLN A 101 2.518 10.396 4.371 1.00 0.00 C ATOM 1602 O GLN A 101 2.521 11.627 4.315 1.00 0.00 O ATOM 1603 CB GLN A 101 2.906 9.218 6.563 1.00 0.00 C ATOM 1604 CG GLN A 101 3.093 10.167 7.746 1.00 0.00 C ATOM 1605 CD GLN A 101 3.613 11.536 7.353 1.00 0.00 C ATOM 1606 OE1 GLN A 101 4.819 11.750 7.273 1.00 0.00 O ATOM 1607 NE2 GLN A 101 2.711 12.481 7.138 1.00 0.00 N ATOM 0 H GLN A 101 1.402 7.624 5.457 1.00 0.00 H new ATOM 0 HA GLN A 101 1.166 10.365 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.628 8.235 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.862 9.103 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.139 10.284 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.785 9.715 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.717 12.264 7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.010 13.426 6.896 1.00 0.00 H new ATOM 1616 N GLN A 102 3.063 9.639 3.424 1.00 0.00 N ATOM 1617 CA GLN A 102 3.728 10.236 2.271 1.00 0.00 C ATOM 1618 C GLN A 102 2.728 11.012 1.409 1.00 0.00 C ATOM 1619 O GLN A 102 3.079 12.012 0.785 1.00 0.00 O ATOM 1620 CB GLN A 102 4.464 9.180 1.434 1.00 0.00 C ATOM 1621 CG GLN A 102 3.556 8.218 0.684 1.00 0.00 C ATOM 1622 CD GLN A 102 4.329 7.241 -0.175 1.00 0.00 C ATOM 1623 OE1 GLN A 102 4.665 6.092 0.389 1.00 0.00 O flip ATOM 1624 NE2 GLN A 102 4.619 7.511 -1.338 1.00 0.00 N flip ATOM 0 H GLN A 102 3.058 8.619 3.431 1.00 0.00 H new ATOM 0 HA GLN A 102 4.474 10.936 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.105 9.689 0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.116 8.605 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.948 7.665 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.871 8.786 0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.342 8.408 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.136 6.838 -1.904 1.00 0.00 H new ATOM 1633 N ALA A 103 1.482 10.553 1.379 1.00 0.00 N ATOM 1634 CA ALA A 103 0.438 11.248 0.642 1.00 0.00 C ATOM 1635 C ALA A 103 0.028 12.532 1.362 1.00 0.00 C ATOM 1636 O ALA A 103 -0.368 13.510 0.727 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.767 10.338 0.440 1.00 0.00 C ATOM 0 H ALA A 103 1.173 9.706 1.855 1.00 0.00 H new ATOM 0 HA ALA A 103 0.834 11.520 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.539 10.874 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.465 9.454 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.160 10.034 1.410 1.00 0.00 H new ATOM 1643 N VAL A 104 0.150 12.526 2.687 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.246 13.667 3.510 1.00 0.00 C ATOM 1645 C VAL A 104 0.585 14.912 3.194 1.00 0.00 C ATOM 1646 O VAL A 104 0.056 16.024 3.167 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.137 13.349 5.021 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.500 14.562 5.864 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.026 12.172 5.384 1.00 0.00 C ATOM 0 H VAL A 104 0.522 11.738 3.217 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.289 13.870 3.267 1.00 0.00 H new ATOM 0 HB VAL A 104 0.899 13.085 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.415 14.309 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.178 15.383 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.524 14.864 5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.936 11.963 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.063 12.412 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.718 11.295 4.815 1.00 0.00 H new ATOM 1659 N ASN A 105 1.882 14.736 2.946 1.00 0.00 N ATOM 1660 CA ASN A 105 2.745 15.884 2.656 1.00 0.00 C ATOM 1661 C ASN A 105 2.536 16.373 1.226 1.00 0.00 C ATOM 1662 O ASN A 105 2.902 17.500 0.883 1.00 0.00 O ATOM 1663 CB ASN A 105 4.232 15.582 2.915 1.00 0.00 C ATOM 1664 CG ASN A 105 4.799 14.474 2.050 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.842 13.270 2.594 1.00 0.00 O flip ATOM 1666 ND2 ASN A 105 5.233 14.706 0.922 1.00 0.00 N flip ATOM 0 H ASN A 105 2.352 13.831 2.939 1.00 0.00 H new ATOM 0 HA ASN A 105 2.456 16.678 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.811 16.491 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.359 15.311 3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.180 15.650 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.645 13.954 0.370 1.00 0.00 H new ATOM 1673 N LEU A 106 1.931 15.529 0.400 1.00 0.00 N ATOM 1674 CA LEU A 106 1.588 15.907 -0.964 1.00 0.00 C ATOM 1675 C LEU A 106 0.283 16.701 -0.967 1.00 0.00 C ATOM 1676 O LEU A 106 0.087 17.600 -1.788 1.00 0.00 O ATOM 1677 CB LEU A 106 1.460 14.664 -1.852 1.00 0.00 C ATOM 1678 CG LEU A 106 2.718 13.796 -1.945 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.460 12.576 -2.816 1.00 0.00 C ATOM 1680 CD2 LEU A 106 3.889 14.605 -2.486 1.00 0.00 C ATOM 0 H LEU A 106 1.667 14.576 0.652 1.00 0.00 H new ATOM 0 HA LEU A 106 2.385 16.532 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.642 14.050 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.183 14.982 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 106 2.975 13.454 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.365 11.970 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.653 11.984 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.177 12.898 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.773 13.971 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.644 14.979 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.089 15.445 -1.821 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.599 16.364 -0.031 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.873 17.053 0.118 1.00 0.00 C ATOM 1694 C LEU A 107 -1.667 18.434 0.742 1.00 0.00 C ATOM 1695 O LEU A 107 -0.833 18.598 1.636 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.826 16.218 0.979 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.203 14.852 0.400 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.082 14.087 1.376 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.909 15.017 -0.936 1.00 0.00 C ATOM 0 H LEU A 107 -0.451 15.611 0.641 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.314 17.184 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.368 16.066 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.739 16.790 1.141 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.289 14.281 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.341 13.118 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.543 13.939 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.993 14.655 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.170 14.036 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.816 15.605 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.248 15.528 -1.636 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.403 19.451 0.267 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.263 20.825 0.748 1.00 0.00 C ATOM 1713 C PRO A 108 -3.008 21.084 2.059 1.00 0.00 C ATOM 1714 O PRO A 108 -3.609 20.172 2.638 1.00 0.00 O ATOM 1715 CB PRO A 108 -2.880 21.671 -0.382 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.285 20.704 -1.453 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.411 19.366 -0.791 1.00 0.00 C ATOM 0 HA PRO A 108 -1.221 21.059 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.740 22.235 -0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.161 22.396 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.229 21.002 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.542 20.674 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.411 19.203 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.208 18.548 -1.483 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.959 22.342 2.501 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.650 22.805 3.706 1.00 0.00 C ATOM 1727 C GLU A 109 -5.095 22.323 3.735 1.00 0.00 C ATOM 1728 O GLU A 109 -5.553 21.745 4.721 1.00 0.00 O ATOM 1729 CB GLU A 109 -3.643 24.336 3.735 1.00 0.00 C ATOM 1730 CG GLU A 109 -4.369 24.945 4.925 1.00 0.00 C ATOM 1731 CD GLU A 109 -3.573 24.872 6.212 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -3.365 23.759 6.733 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -3.169 25.941 6.721 1.00 0.00 O ATOM 0 H GLU A 109 -2.433 23.076 2.027 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.129 22.399 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.610 24.683 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.100 24.707 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.599 25.988 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.320 24.431 5.064 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.790 22.577 2.634 1.00 0.00 N ATOM 1741 CA GLU A 110 -7.197 22.237 2.480 1.00 0.00 C ATOM 1742 C GLU A 110 -7.484 20.795 2.893 1.00 0.00 C ATOM 1743 O GLU A 110 -8.361 20.537 3.717 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.590 22.437 1.026 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.054 22.191 0.735 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.317 22.058 -0.748 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -8.809 22.900 -1.524 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -9.996 21.095 -1.149 1.00 0.00 O ATOM 0 H GLU A 110 -5.387 23.030 1.814 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.781 22.887 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.340 23.456 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.992 21.770 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.378 21.284 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.648 23.012 1.137 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.731 19.863 2.327 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.944 18.449 2.598 1.00 0.00 C ATOM 1757 C LYS A 111 -6.557 18.096 4.030 1.00 0.00 C ATOM 1758 O LYS A 111 -7.283 17.366 4.705 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.174 17.581 1.598 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.996 17.159 0.386 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.514 18.351 -0.409 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.382 17.898 -1.579 1.00 0.00 C ATOM 1763 NZ LYS A 111 -8.894 19.041 -2.383 1.00 0.00 N ATOM 0 H LYS A 111 -5.969 20.060 1.679 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.008 18.245 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.296 18.129 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.813 16.688 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.385 16.531 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.839 16.552 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.092 19.004 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.673 18.936 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.803 17.236 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.224 17.318 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.478 18.681 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.470 19.661 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.093 19.581 -2.769 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.432 18.629 4.500 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.985 18.368 5.864 1.00 0.00 C ATOM 1779 C ARG A 112 -6.003 18.872 6.882 1.00 0.00 C ATOM 1780 O ARG A 112 -6.226 18.235 7.910 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.627 19.013 6.130 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.458 18.249 5.537 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.128 18.787 6.050 1.00 0.00 C ATOM 1784 NE ARG A 112 -1.060 18.778 7.515 1.00 0.00 N ATOM 1785 CZ ARG A 112 -0.056 18.250 8.222 1.00 0.00 C ATOM 1786 NH1 ARG A 112 0.978 17.686 7.609 1.00 0.00 N ATOM 1787 NH2 ARG A 112 -0.084 18.287 9.549 1.00 0.00 N ATOM 0 H ARG A 112 -4.818 19.239 3.961 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.887 17.288 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.630 20.025 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.482 19.101 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.546 17.192 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.487 18.322 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.314 18.186 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.984 19.805 5.687 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.831 19.204 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.011 17.653 6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.739 17.286 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.873 18.719 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.683 17.884 10.087 1.00 0.00 H new ATOM 1801 N LYS A 113 -6.621 20.010 6.580 1.00 0.00 N ATOM 1802 CA LYS A 113 -7.632 20.603 7.448 1.00 0.00 C ATOM 1803 C LYS A 113 -8.788 19.632 7.677 1.00 0.00 C ATOM 1804 O LYS A 113 -9.404 19.615 8.743 1.00 0.00 O ATOM 1805 CB LYS A 113 -8.156 21.898 6.822 1.00 0.00 C ATOM 1806 CG LYS A 113 -8.061 23.121 7.727 1.00 0.00 C ATOM 1807 CD LYS A 113 -6.625 23.601 7.918 1.00 0.00 C ATOM 1808 CE LYS A 113 -5.845 22.727 8.890 1.00 0.00 C ATOM 1809 NZ LYS A 113 -4.459 23.224 9.093 1.00 0.00 N ATOM 0 H LYS A 113 -6.436 20.544 5.731 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.174 20.825 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.599 22.095 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.198 21.753 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.657 23.929 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.493 22.883 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.117 23.610 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.634 24.628 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.364 22.697 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.813 21.705 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.000 22.675 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.919 23.118 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.486 24.228 9.363 1.00 0.00 H new ATOM 1823 N LEU A 114 -9.067 18.821 6.668 1.00 0.00 N ATOM 1824 CA LEU A 114 -10.126 17.849 6.736 1.00 0.00 C ATOM 1825 C LEU A 114 -9.666 16.591 7.461 1.00 0.00 C ATOM 1826 O LEU A 114 -10.356 16.089 8.348 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.573 17.512 5.321 1.00 0.00 C ATOM 1828 CG LEU A 114 -11.220 18.665 4.549 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.574 18.225 3.138 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -12.458 19.172 5.275 1.00 0.00 C ATOM 0 H LEU A 114 -8.561 18.825 5.783 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.961 18.266 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.709 17.159 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.281 16.685 5.368 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.501 19.482 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.033 19.056 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.669 17.913 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.274 17.391 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.902 19.991 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.182 18.362 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.178 19.526 6.267 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.485 16.105 7.092 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.953 14.849 7.623 1.00 0.00 C ATOM 1844 C LEU A 115 -7.844 14.867 9.147 1.00 0.00 C ATOM 1845 O LEU A 115 -8.003 13.836 9.798 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.579 14.559 7.015 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.523 14.547 5.486 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.122 14.207 5.006 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.536 13.566 4.915 1.00 0.00 C ATOM 0 H LEU A 115 -7.871 16.566 6.420 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.654 14.061 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.874 15.306 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.236 13.591 7.381 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.778 15.545 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.102 14.203 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.419 14.951 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.839 13.222 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.478 13.575 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.318 12.563 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.539 13.856 5.227 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.570 16.037 9.713 1.00 0.00 N ATOM 1862 CA VAL A 116 -7.449 16.172 11.163 1.00 0.00 C ATOM 1863 C VAL A 116 -8.806 15.975 11.838 1.00 0.00 C ATOM 1864 O VAL A 116 -8.909 15.322 12.881 1.00 0.00 O ATOM 1865 CB VAL A 116 -6.874 17.555 11.551 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -6.799 17.715 13.063 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -5.503 17.761 10.921 1.00 0.00 C ATOM 0 H VAL A 116 -7.428 16.903 9.194 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.761 15.400 11.507 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.550 18.319 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -6.391 18.696 13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.798 17.622 13.489 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.154 16.941 13.479 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -5.115 18.739 11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.822 16.985 11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.589 17.707 9.836 1.00 0.00 H new ATOM 1877 N GLN A 117 -9.844 16.542 11.233 1.00 0.00 N ATOM 1878 CA GLN A 117 -11.190 16.478 11.772 1.00 0.00 C ATOM 1879 C GLN A 117 -11.848 15.118 11.525 1.00 0.00 C ATOM 1880 O GLN A 117 -12.692 14.684 12.310 1.00 0.00 O ATOM 1881 CB GLN A 117 -12.028 17.588 11.155 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.573 18.981 11.550 1.00 0.00 C ATOM 1883 CD GLN A 117 -12.380 20.062 10.868 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -13.404 20.511 11.386 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -11.921 20.490 9.705 1.00 0.00 N ATOM 0 H GLN A 117 -9.772 17.058 10.356 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.129 16.610 12.852 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.994 17.497 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.068 17.456 11.453 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.656 19.095 12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.520 19.102 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.068 20.089 9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.419 21.222 9.198 1.00 0.00 H new ATOM 1894 N LEU A 118 -11.459 14.455 10.442 1.00 0.00 N ATOM 1895 CA LEU A 118 -12.072 13.188 10.048 1.00 0.00 C ATOM 1896 C LEU A 118 -11.670 12.050 10.987 1.00 0.00 C ATOM 1897 O LEU A 118 -10.521 11.578 10.898 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.695 12.834 8.606 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.229 13.793 7.536 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.781 13.352 6.148 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.747 13.873 7.606 1.00 0.00 C ATOM 0 H LEU A 118 -10.719 14.774 9.817 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.153 13.314 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.608 12.799 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.062 11.831 8.388 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.820 14.785 7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.170 14.046 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.692 13.344 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.160 12.350 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.111 14.558 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.172 12.883 7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.047 14.236 8.589 1.00 0.00 H new