USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 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 82 GLN : amide:sc= -15.3! C(o=-15!,f=-19!) USER MOD Set 1.2: A 83 THR OG1 : rot 134:sc= 0.137 USER MOD Set 1.3: A 114 TYR OH : rot -30:sc= 0.221 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0.0954 USER MOD Set 2.2: A 67 MET CE :methyl -154:sc= -2.02! (180deg=-3.02!) USER MOD Set 3.1: A 64 THR OG1 : rot 180:sc= 0.0333 USER MOD Set 3.2: A 127 MET CE :methyl -146:sc= -0.253 (180deg=-1.81!) USER MOD Single : A 15 ASN : amide:sc= 0.0405 X(o=0.04,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 34:sc= -0.932! USER MOD Single : A 22 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.17 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.946! C(o=-2!,f=-0.95!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -1.06 F(o=-2.9!,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -0.483 K(o=-0.48,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.824 K(o=-0.82,f=-4.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0955 X(o=-0.095,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.5! C(o=-2.5!,f=-5.4!) USER MOD Single : A 56 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.087) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.316) USER MOD Single : A 63 SER OG : rot 175:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.217 K(o=0.22,f=-0.54) USER MOD Single : A 76 SER OG : rot -170:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 84 TYR OH : rot -105:sc= 0.643 USER MOD Single : A 85 HIS : no HE2:sc= -18.5! C(o=-19!,f=-26!) USER MOD Single : A 87 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-2.8!) USER MOD Single : A 89 SER OG : rot 15:sc= 0.748 USER MOD Single : A 93 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.6!) USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.095) USER MOD Single : A 99 HIS : no HE2:sc= -8.58! C(o=-8.6!,f=-14!) USER MOD Single : A 100 ASN : amide:sc= -5.68! C(o=-5.7!,f=-7.9!) USER MOD Single : A 101 TYR OH : rot -16:sc= 0.815 USER MOD Single : A 104 ASN :FLIP amide:sc= -3.37! C(o=-6.8!,f=-3.4!) USER MOD Single : A 107 ASN : amide:sc= -1! C(o=-1!,f=-4.4!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 120 LYS NZ :NH3+ 163:sc= -0.754 (180deg=-1.23) USER MOD Single : A 124 GLN : amide:sc= -8.63! C(o=-8.6!,f=-8.4!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 12.163 30.205 -9.891 1.00 1.00 N ATOM 39 CA CYS A 11 13.619 30.185 -10.203 1.00 1.00 C ATOM 40 C CYS A 11 13.982 28.856 -10.861 1.00 1.00 C ATOM 41 O CYS A 11 13.170 28.227 -11.509 1.00 1.00 O ATOM 42 CB CYS A 11 14.422 30.333 -8.911 1.00 1.00 C ATOM 43 SG CYS A 11 13.753 31.705 -7.939 1.00 1.00 S ATOM 0 HA CYS A 11 13.851 31.008 -10.879 1.00 1.00 H new ATOM 0 HB2 CYS A 11 14.377 29.409 -8.335 1.00 1.00 H new ATOM 0 HB3 CYS A 11 15.472 30.514 -9.141 1.00 1.00 H new ATOM 44 N ASP A 12 15.200 28.424 -10.692 1.00 1.00 N ATOM 45 CA ASP A 12 15.625 27.134 -11.297 1.00 1.00 C ATOM 46 C ASP A 12 16.017 26.161 -10.184 1.00 1.00 C ATOM 47 O ASP A 12 15.740 26.387 -9.022 1.00 1.00 O ATOM 48 CB ASP A 12 16.825 27.371 -12.217 1.00 1.00 C ATOM 49 CG ASP A 12 16.453 28.396 -13.290 1.00 1.00 C ATOM 50 OD1 ASP A 12 15.282 28.725 -13.387 1.00 1.00 O ATOM 51 OD2 ASP A 12 17.346 28.835 -13.997 1.00 1.00 O ATOM 0 H ASP A 12 15.921 28.911 -10.159 1.00 1.00 H new ATOM 0 HA ASP A 12 14.804 26.714 -11.878 1.00 1.00 H new ATOM 0 HB2 ASP A 12 17.676 27.729 -11.637 1.00 1.00 H new ATOM 0 HB3 ASP A 12 17.129 26.434 -12.684 1.00 1.00 H new ATOM 52 N CYS A 13 16.659 25.083 -10.532 1.00 1.00 N ATOM 53 CA CYS A 13 17.075 24.085 -9.504 1.00 1.00 C ATOM 54 C CYS A 13 15.844 23.615 -8.719 1.00 1.00 C ATOM 55 O CYS A 13 14.822 24.272 -8.723 1.00 1.00 O ATOM 56 CB CYS A 13 18.066 24.732 -8.534 1.00 1.00 C ATOM 57 SG CYS A 13 17.152 25.580 -7.222 1.00 1.00 S ATOM 0 H CYS A 13 16.916 24.847 -11.490 1.00 1.00 H new ATOM 0 HA CYS A 13 17.545 23.235 -9.998 1.00 1.00 H new ATOM 0 HB2 CYS A 13 18.721 23.973 -8.105 1.00 1.00 H new ATOM 0 HB3 CYS A 13 18.703 25.439 -9.065 1.00 1.00 H new ATOM 58 N LEU A 14 15.914 22.501 -8.023 1.00 1.00 N ATOM 59 CA LEU A 14 14.715 22.076 -7.245 1.00 1.00 C ATOM 60 C LEU A 14 15.142 21.574 -5.862 1.00 1.00 C ATOM 61 O LEU A 14 16.236 21.846 -5.408 1.00 1.00 O ATOM 62 CB LEU A 14 13.895 21.016 -8.007 1.00 1.00 C ATOM 63 CG LEU A 14 14.739 19.816 -8.447 1.00 1.00 C ATOM 64 CD1 LEU A 14 15.604 20.178 -9.649 1.00 1.00 C ATOM 65 CD2 LEU A 14 15.619 19.322 -7.301 1.00 1.00 C ATOM 0 H LEU A 14 16.726 21.887 -7.963 1.00 1.00 H new ATOM 0 HA LEU A 14 14.064 22.940 -7.111 1.00 1.00 H new ATOM 0 HB2 LEU A 14 13.080 20.668 -7.372 1.00 1.00 H new ATOM 0 HB3 LEU A 14 13.441 21.476 -8.885 1.00 1.00 H new ATOM 0 HG LEU A 14 14.058 19.015 -8.733 1.00 1.00 H new ATOM 0 HD11 LEU A 14 16.196 19.312 -9.946 1.00 1.00 H new ATOM 0 HD12 LEU A 14 14.965 20.483 -10.478 1.00 1.00 H new ATOM 0 HD13 LEU A 14 16.270 20.999 -9.384 1.00 1.00 H new ATOM 0 HD21 LEU A 14 16.209 18.469 -7.637 1.00 1.00 H new ATOM 0 HD22 LEU A 14 16.287 20.123 -6.984 1.00 1.00 H new ATOM 0 HD23 LEU A 14 14.990 19.020 -6.463 1.00 1.00 H new ATOM 66 N ASN A 15 14.291 20.857 -5.182 1.00 1.00 N ATOM 67 CA ASN A 15 14.661 20.357 -3.828 1.00 1.00 C ATOM 68 C ASN A 15 14.813 21.544 -2.880 1.00 1.00 C ATOM 69 O ASN A 15 15.404 21.441 -1.823 1.00 1.00 O ATOM 70 CB ASN A 15 15.981 19.588 -3.905 1.00 1.00 C ATOM 71 CG ASN A 15 15.852 18.270 -3.139 1.00 1.00 C ATOM 72 OD1 ASN A 15 16.009 17.207 -3.704 1.00 1.00 O ATOM 73 ND2 ASN A 15 15.571 18.296 -1.865 1.00 1.00 N ATOM 0 H ASN A 15 13.359 20.596 -5.504 1.00 1.00 H new ATOM 0 HA ASN A 15 13.881 19.691 -3.459 1.00 1.00 H new ATOM 0 HB2 ASN A 15 16.239 19.392 -4.946 1.00 1.00 H new ATOM 0 HB3 ASN A 15 16.788 20.188 -3.484 1.00 1.00 H new ATOM 0 HD21 ASN A 15 15.483 17.423 -1.344 1.00 1.00 H new ATOM 0 HD22 ASN A 15 15.439 19.189 -1.390 1.00 1.00 H new ATOM 74 N GLY A 16 14.271 22.668 -3.250 1.00 1.00 N ATOM 75 CA GLY A 16 14.366 23.870 -2.375 1.00 1.00 C ATOM 76 C GLY A 16 15.668 24.627 -2.650 1.00 1.00 C ATOM 77 O GLY A 16 16.183 25.315 -1.791 1.00 1.00 O ATOM 0 H GLY A 16 13.764 22.808 -4.124 1.00 1.00 H new ATOM 0 HA2 GLY A 16 13.513 24.525 -2.551 1.00 1.00 H new ATOM 0 HA3 GLY A 16 14.326 23.570 -1.328 1.00 1.00 H new ATOM 78 N GLY A 17 16.204 24.517 -3.835 1.00 1.00 N ATOM 79 CA GLY A 17 17.467 25.246 -4.142 1.00 1.00 C ATOM 80 C GLY A 17 17.254 26.745 -3.906 1.00 1.00 C ATOM 81 O GLY A 17 16.381 27.356 -4.490 1.00 1.00 O ATOM 0 H GLY A 17 15.825 23.958 -4.599 1.00 1.00 H new ATOM 0 HA2 GLY A 17 18.276 24.878 -3.511 1.00 1.00 H new ATOM 0 HA3 GLY A 17 17.762 25.067 -5.176 1.00 1.00 H new ATOM 82 N THR A 18 18.042 27.341 -3.052 1.00 1.00 N ATOM 83 CA THR A 18 17.880 28.798 -2.777 1.00 1.00 C ATOM 84 C THR A 18 17.745 29.560 -4.097 1.00 1.00 C ATOM 85 O THR A 18 18.081 29.059 -5.151 1.00 1.00 O ATOM 86 CB THR A 18 19.098 29.308 -2.011 1.00 1.00 C ATOM 87 OG1 THR A 18 19.276 28.552 -0.830 1.00 1.00 O ATOM 88 CG2 THR A 18 18.847 30.772 -1.659 1.00 1.00 C ATOM 0 H THR A 18 18.791 26.882 -2.533 1.00 1.00 H new ATOM 0 HA THR A 18 16.983 28.957 -2.179 1.00 1.00 H new ATOM 0 HB THR A 18 19.998 29.211 -2.618 1.00 1.00 H new ATOM 0 HG1 THR A 18 20.060 28.883 -0.344 1.00 1.00 H new ATOM 0 HG21 THR A 18 19.702 31.166 -1.110 1.00 1.00 H new ATOM 0 HG22 THR A 18 18.707 31.347 -2.574 1.00 1.00 H new ATOM 0 HG23 THR A 18 17.952 30.849 -1.042 1.00 1.00 H new ATOM 89 N CYS A 19 17.250 30.768 -4.049 1.00 1.00 N ATOM 90 CA CYS A 19 17.088 31.560 -5.302 1.00 1.00 C ATOM 91 C CYS A 19 17.817 32.900 -5.168 1.00 1.00 C ATOM 92 O CYS A 19 17.662 33.606 -4.191 1.00 1.00 O ATOM 93 CB CYS A 19 15.602 31.818 -5.548 1.00 1.00 C ATOM 94 SG CYS A 19 15.388 32.603 -7.165 1.00 1.00 S ATOM 0 H CYS A 19 16.951 31.240 -3.196 1.00 1.00 H new ATOM 0 HA CYS A 19 17.510 31.001 -6.137 1.00 1.00 H new ATOM 0 HB2 CYS A 19 15.048 30.880 -5.510 1.00 1.00 H new ATOM 0 HB3 CYS A 19 15.198 32.459 -4.764 1.00 1.00 H new ATOM 95 N VAL A 20 18.602 33.260 -6.147 1.00 1.00 N ATOM 96 CA VAL A 20 19.330 34.560 -6.080 1.00 1.00 C ATOM 97 C VAL A 20 19.157 35.304 -7.406 1.00 1.00 C ATOM 98 O VAL A 20 18.589 34.788 -8.348 1.00 1.00 O ATOM 99 CB VAL A 20 20.818 34.308 -5.824 1.00 1.00 C ATOM 100 CG1 VAL A 20 20.980 33.393 -4.609 1.00 1.00 C ATOM 101 CG2 VAL A 20 21.448 33.642 -7.049 1.00 1.00 C ATOM 0 H VAL A 20 18.771 32.711 -6.990 1.00 1.00 H new ATOM 0 HA VAL A 20 18.924 35.161 -5.266 1.00 1.00 H new ATOM 0 HB VAL A 20 21.315 35.259 -5.634 1.00 1.00 H new ATOM 0 HG11 VAL A 20 22.040 33.214 -4.427 1.00 1.00 H new ATOM 0 HG12 VAL A 20 20.537 33.868 -3.734 1.00 1.00 H new ATOM 0 HG13 VAL A 20 20.479 32.444 -4.799 1.00 1.00 H new ATOM 0 HG21 VAL A 20 22.507 33.465 -6.862 1.00 1.00 H new ATOM 0 HG22 VAL A 20 20.950 32.692 -7.243 1.00 1.00 H new ATOM 0 HG23 VAL A 20 21.337 34.294 -7.915 1.00 1.00 H new ATOM 102 N SER A 21 19.638 36.514 -7.489 1.00 1.00 N ATOM 103 CA SER A 21 19.496 37.284 -8.756 1.00 1.00 C ATOM 104 C SER A 21 20.507 38.432 -8.774 1.00 1.00 C ATOM 105 O SER A 21 20.609 39.196 -7.835 1.00 1.00 O ATOM 106 CB SER A 21 18.079 37.852 -8.849 1.00 1.00 C ATOM 107 OG SER A 21 17.230 36.897 -9.471 1.00 1.00 O ATOM 0 H SER A 21 20.122 37.002 -6.735 1.00 1.00 H new ATOM 0 HA SER A 21 19.682 36.625 -9.604 1.00 1.00 H new ATOM 0 HB2 SER A 21 17.706 38.094 -7.854 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.083 38.779 -9.422 1.00 1.00 H new ATOM 0 HG SER A 21 17.516 35.993 -9.221 1.00 1.00 H new ATOM 108 N ASN A 22 21.255 38.561 -9.837 1.00 1.00 N ATOM 109 CA ASN A 22 22.256 39.662 -9.912 1.00 1.00 C ATOM 110 C ASN A 22 21.544 41.005 -9.736 1.00 1.00 C ATOM 111 O ASN A 22 20.336 41.068 -9.628 1.00 1.00 O ATOM 112 CB ASN A 22 22.953 39.628 -11.273 1.00 1.00 C ATOM 113 CG ASN A 22 24.347 40.246 -11.148 1.00 1.00 C ATOM 114 OD1 ASN A 22 24.982 40.136 -10.118 1.00 1.00 O ATOM 115 ND2 ASN A 22 24.853 40.897 -12.160 1.00 1.00 N ATOM 0 H ASN A 22 21.216 37.952 -10.655 1.00 1.00 H new ATOM 0 HA ASN A 22 22.998 39.535 -9.123 1.00 1.00 H new ATOM 0 HB2 ASN A 22 23.030 38.601 -11.629 1.00 1.00 H new ATOM 0 HB3 ASN A 22 22.365 40.177 -12.009 1.00 1.00 H new ATOM 0 HD21 ASN A 22 25.781 41.313 -12.086 1.00 1.00 H new ATOM 0 HD22 ASN A 22 24.320 40.989 -13.025 1.00 1.00 H new ATOM 116 N LYS A 23 22.283 42.081 -9.702 1.00 1.00 N ATOM 117 CA LYS A 23 21.643 43.417 -9.528 1.00 1.00 C ATOM 118 C LYS A 23 22.116 44.367 -10.632 1.00 1.00 C ATOM 119 O LYS A 23 21.628 45.472 -10.761 1.00 1.00 O ATOM 120 CB LYS A 23 22.034 43.990 -8.166 1.00 1.00 C ATOM 121 CG LYS A 23 20.895 44.858 -7.628 1.00 1.00 C ATOM 122 CD LYS A 23 21.290 45.434 -6.267 1.00 1.00 C ATOM 123 CE LYS A 23 20.030 45.805 -5.483 1.00 1.00 C ATOM 124 NZ LYS A 23 20.164 45.330 -4.076 1.00 1.00 N ATOM 0 H LYS A 23 23.299 42.093 -9.787 1.00 1.00 H new ATOM 0 HA LYS A 23 20.560 43.309 -9.586 1.00 1.00 H new ATOM 0 HB2 LYS A 23 22.249 43.181 -7.468 1.00 1.00 H new ATOM 0 HB3 LYS A 23 22.944 44.583 -8.257 1.00 1.00 H new ATOM 0 HG2 LYS A 23 20.678 45.666 -8.327 1.00 1.00 H new ATOM 0 HG3 LYS A 23 19.985 44.265 -7.533 1.00 1.00 H new ATOM 0 HD2 LYS A 23 21.877 44.705 -5.708 1.00 1.00 H new ATOM 0 HD3 LYS A 23 21.919 46.314 -6.402 1.00 1.00 H new ATOM 0 HE2 LYS A 23 19.882 46.885 -5.501 1.00 1.00 H new ATOM 0 HE3 LYS A 23 19.153 45.355 -5.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 19.308 45.582 -3.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 20.286 44.297 -4.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 20.992 45.780 -3.635 1.00 1.00 H new ATOM 125 N TYR A 24 23.064 43.951 -11.426 1.00 1.00 N ATOM 126 CA TYR A 24 23.564 44.838 -12.515 1.00 1.00 C ATOM 127 C TYR A 24 23.349 44.161 -13.870 1.00 1.00 C ATOM 128 O TYR A 24 24.248 44.086 -14.685 1.00 1.00 O ATOM 129 CB TYR A 24 25.056 45.103 -12.310 1.00 1.00 C ATOM 130 CG TYR A 24 25.343 45.256 -10.836 1.00 1.00 C ATOM 131 CD1 TYR A 24 25.093 46.478 -10.197 1.00 1.00 C ATOM 132 CD2 TYR A 24 25.857 44.177 -10.105 1.00 1.00 C ATOM 133 CE1 TYR A 24 25.358 46.621 -8.829 1.00 1.00 C ATOM 134 CE2 TYR A 24 26.122 44.319 -8.737 1.00 1.00 C ATOM 135 CZ TYR A 24 25.872 45.541 -8.099 1.00 1.00 C ATOM 136 OH TYR A 24 26.133 45.682 -6.751 1.00 1.00 O ATOM 0 H TYR A 24 23.513 43.037 -11.368 1.00 1.00 H new ATOM 0 HA TYR A 24 23.018 45.781 -12.492 1.00 1.00 H new ATOM 0 HB2 TYR A 24 25.642 44.281 -12.722 1.00 1.00 H new ATOM 0 HB3 TYR A 24 25.353 46.005 -12.845 1.00 1.00 H new ATOM 0 HD1 TYR A 24 24.696 47.310 -10.760 1.00 1.00 H new ATOM 0 HD2 TYR A 24 26.049 43.235 -10.597 1.00 1.00 H new ATOM 0 HE1 TYR A 24 25.166 47.563 -8.337 1.00 1.00 H new ATOM 0 HE2 TYR A 24 26.519 43.487 -8.174 1.00 1.00 H new ATOM 0 HH TYR A 24 26.484 44.839 -6.396 1.00 1.00 H new ATOM 137 N PHE A 25 22.167 43.669 -14.119 1.00 1.00 N ATOM 138 CA PHE A 25 21.898 43.000 -15.418 1.00 1.00 C ATOM 139 C PHE A 25 20.497 43.388 -15.901 1.00 1.00 C ATOM 140 O PHE A 25 20.038 44.492 -15.685 1.00 1.00 O ATOM 141 CB PHE A 25 21.983 41.482 -15.230 1.00 1.00 C ATOM 142 CG PHE A 25 22.393 40.832 -16.530 1.00 1.00 C ATOM 143 CD1 PHE A 25 23.509 41.306 -17.232 1.00 1.00 C ATOM 144 CD2 PHE A 25 21.655 39.752 -17.032 1.00 1.00 C ATOM 145 CE1 PHE A 25 23.887 40.700 -18.438 1.00 1.00 C ATOM 146 CE2 PHE A 25 22.033 39.146 -18.237 1.00 1.00 C ATOM 147 CZ PHE A 25 23.148 39.619 -18.940 1.00 1.00 C ATOM 0 H PHE A 25 21.376 43.703 -13.476 1.00 1.00 H new ATOM 0 HA PHE A 25 22.634 43.312 -16.159 1.00 1.00 H new ATOM 0 HB2 PHE A 25 22.704 41.242 -14.449 1.00 1.00 H new ATOM 0 HB3 PHE A 25 21.019 41.091 -14.905 1.00 1.00 H new ATOM 0 HD1 PHE A 25 24.078 42.138 -16.844 1.00 1.00 H new ATOM 0 HD2 PHE A 25 20.795 39.387 -16.490 1.00 1.00 H new ATOM 0 HE1 PHE A 25 24.747 41.065 -18.980 1.00 1.00 H new ATOM 0 HE2 PHE A 25 21.464 38.314 -18.624 1.00 1.00 H new ATOM 0 HZ PHE A 25 23.439 39.151 -19.869 1.00 1.00 H new ATOM 148 N SER A 26 19.817 42.488 -16.549 1.00 1.00 N ATOM 149 CA SER A 26 18.445 42.791 -17.047 1.00 1.00 C ATOM 150 C SER A 26 17.718 41.474 -17.318 1.00 1.00 C ATOM 151 O SER A 26 16.808 41.403 -18.119 1.00 1.00 O ATOM 152 CB SER A 26 18.537 43.601 -18.340 1.00 1.00 C ATOM 153 OG SER A 26 19.904 43.765 -18.695 1.00 1.00 O ATOM 0 H SER A 26 20.153 41.548 -16.758 1.00 1.00 H new ATOM 0 HA SER A 26 17.899 43.369 -16.302 1.00 1.00 H new ATOM 0 HB2 SER A 26 18.000 43.092 -19.140 1.00 1.00 H new ATOM 0 HB3 SER A 26 18.064 44.574 -18.207 1.00 1.00 H new ATOM 0 HG SER A 26 19.967 44.283 -19.525 1.00 1.00 H new ATOM 154 N ASN A 27 18.126 40.429 -16.652 1.00 1.00 N ATOM 155 CA ASN A 27 17.485 39.100 -16.854 1.00 1.00 C ATOM 156 C ASN A 27 18.440 38.023 -16.341 1.00 1.00 C ATOM 157 O ASN A 27 18.764 37.079 -17.035 1.00 1.00 O ATOM 158 CB ASN A 27 17.216 38.878 -18.345 1.00 1.00 C ATOM 159 CG ASN A 27 15.709 38.922 -18.605 1.00 1.00 C ATOM 160 OD1 ASN A 27 15.002 37.835 -18.460 1.00 1.00 O flip ATOM 161 ND2 ASN A 27 15.169 39.957 -18.945 1.00 1.00 N flip ATOM 0 H ASN A 27 18.884 40.440 -15.970 1.00 1.00 H new ATOM 0 HA ASN A 27 16.539 39.054 -16.314 1.00 1.00 H new ATOM 0 HB2 ASN A 27 17.720 39.644 -18.934 1.00 1.00 H new ATOM 0 HB3 ASN A 27 17.622 37.916 -18.659 1.00 1.00 H new ATOM 0 HD21 ASN A 27 15.721 40.807 -19.058 1.00 1.00 H new ATOM 0 HD22 ASN A 27 14.164 39.975 -19.117 1.00 1.00 H new ATOM 162 N ILE A 28 18.904 38.167 -15.130 1.00 1.00 N ATOM 163 CA ILE A 28 19.852 37.166 -14.566 1.00 1.00 C ATOM 164 C ILE A 28 19.326 36.658 -13.222 1.00 1.00 C ATOM 165 O ILE A 28 18.991 37.427 -12.343 1.00 1.00 O ATOM 166 CB ILE A 28 21.220 37.825 -14.365 1.00 1.00 C ATOM 167 CG1 ILE A 28 22.126 36.888 -13.566 1.00 1.00 C ATOM 168 CG2 ILE A 28 21.053 39.137 -13.600 1.00 1.00 C ATOM 169 CD1 ILE A 28 22.265 35.559 -14.308 1.00 1.00 C ATOM 0 H ILE A 28 18.666 38.937 -14.505 1.00 1.00 H new ATOM 0 HA ILE A 28 19.947 36.326 -15.254 1.00 1.00 H new ATOM 0 HB ILE A 28 21.667 38.026 -15.338 1.00 1.00 H new ATOM 0 HG12 ILE A 28 23.106 37.344 -13.427 1.00 1.00 H new ATOM 0 HG13 ILE A 28 21.709 36.721 -12.573 1.00 1.00 H new ATOM 0 HG21 ILE A 28 22.028 39.603 -13.459 1.00 1.00 H new ATOM 0 HG22 ILE A 28 20.409 39.809 -14.167 1.00 1.00 H new ATOM 0 HG23 ILE A 28 20.603 38.937 -12.628 1.00 1.00 H new ATOM 0 HD11 ILE A 28 22.911 34.890 -13.739 1.00 1.00 H new ATOM 0 HD12 ILE A 28 21.282 35.102 -14.424 1.00 1.00 H new ATOM 0 HD13 ILE A 28 22.701 35.735 -15.291 1.00 1.00 H new ATOM 170 N HIS A 29 19.254 35.365 -13.056 1.00 1.00 N ATOM 171 CA HIS A 29 18.755 34.802 -11.770 1.00 1.00 C ATOM 172 C HIS A 29 19.103 33.314 -11.699 1.00 1.00 C ATOM 173 O HIS A 29 18.530 32.499 -12.395 1.00 1.00 O ATOM 174 CB HIS A 29 17.236 34.975 -11.688 1.00 1.00 C ATOM 175 CG HIS A 29 16.630 34.758 -13.048 1.00 1.00 C ATOM 176 ND1 HIS A 29 17.094 34.111 -14.167 1.00 1.00 N flip ATOM 177 CD2 HIS A 29 15.373 35.238 -13.382 1.00 1.00 C flip ATOM 178 CE1 HIS A 29 16.142 34.188 -15.180 1.00 1.00 C flip ATOM 179 NE2 HIS A 29 15.126 34.877 -14.654 1.00 1.00 N flip ATOM 0 H HIS A 29 19.520 34.674 -13.757 1.00 1.00 H new ATOM 0 HA HIS A 29 19.224 35.327 -10.938 1.00 1.00 H new ATOM 0 HB2 HIS A 29 16.817 34.266 -10.974 1.00 1.00 H new ATOM 0 HB3 HIS A 29 16.992 35.974 -11.325 1.00 1.00 H new ATOM 0 HD1 HIS A 29 17.998 33.645 -14.244 1.00 1.00 H new ATOM 0 HD2 HIS A 29 14.712 35.800 -12.738 1.00 1.00 H new ATOM 0 HE1 HIS A 29 16.210 33.779 -16.177 1.00 1.00 H new ATOM 180 N TRP A 30 20.041 32.952 -10.866 1.00 1.00 N ATOM 181 CA TRP A 30 20.425 31.516 -10.756 1.00 1.00 C ATOM 182 C TRP A 30 20.169 31.029 -9.329 1.00 1.00 C ATOM 183 O TRP A 30 20.613 31.626 -8.372 1.00 1.00 O ATOM 184 CB TRP A 30 21.909 31.360 -11.095 1.00 1.00 C ATOM 185 CG TRP A 30 22.734 32.073 -10.074 1.00 1.00 C ATOM 186 CD1 TRP A 30 23.139 31.552 -8.893 1.00 1.00 C ATOM 187 CD2 TRP A 30 23.260 33.426 -10.127 1.00 1.00 C ATOM 188 NE1 TRP A 30 23.883 32.505 -8.217 1.00 1.00 N ATOM 189 CE2 TRP A 30 23.984 33.677 -8.939 1.00 1.00 C ATOM 190 CE3 TRP A 30 23.177 34.448 -11.086 1.00 1.00 C ATOM 191 CZ2 TRP A 30 24.606 34.906 -8.710 1.00 1.00 C ATOM 192 CZ3 TRP A 30 23.800 35.688 -10.862 1.00 1.00 C ATOM 193 CH2 TRP A 30 24.514 35.916 -9.675 1.00 1.00 C ATOM 0 H TRP A 30 20.557 33.588 -10.258 1.00 1.00 H new ATOM 0 HA TRP A 30 19.831 30.924 -11.452 1.00 1.00 H new ATOM 0 HB2 TRP A 30 22.177 30.304 -11.121 1.00 1.00 H new ATOM 0 HB3 TRP A 30 22.110 31.765 -12.087 1.00 1.00 H new ATOM 0 HD1 TRP A 30 22.919 30.557 -8.536 1.00 1.00 H new ATOM 0 HE1 TRP A 30 24.304 32.359 -7.300 1.00 1.00 H new ATOM 0 HE3 TRP A 30 22.631 34.280 -12.002 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 25.154 35.076 -7.795 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 23.729 36.468 -11.606 1.00 1.00 H new ATOM 0 HH2 TRP A 30 24.992 36.870 -9.506 1.00 1.00 H new ATOM 194 N CYS A 31 19.453 29.950 -9.178 1.00 1.00 N ATOM 195 CA CYS A 31 19.167 29.434 -7.809 1.00 1.00 C ATOM 196 C CYS A 31 20.427 28.797 -7.220 1.00 1.00 C ATOM 197 O CYS A 31 21.156 28.098 -7.895 1.00 1.00 O ATOM 198 CB CYS A 31 18.055 28.387 -7.882 1.00 1.00 C ATOM 199 SG CYS A 31 18.373 27.087 -6.664 1.00 1.00 S ATOM 0 H CYS A 31 19.054 29.404 -9.941 1.00 1.00 H new ATOM 0 HA CYS A 31 18.851 30.261 -7.173 1.00 1.00 H new ATOM 0 HB2 CYS A 31 17.089 28.853 -7.689 1.00 1.00 H new ATOM 0 HB3 CYS A 31 18.008 27.959 -8.883 1.00 1.00 H new ATOM 200 N ASN A 32 20.686 29.032 -5.961 1.00 1.00 N ATOM 201 CA ASN A 32 21.894 28.440 -5.322 1.00 1.00 C ATOM 202 C ASN A 32 21.479 27.268 -4.431 1.00 1.00 C ATOM 203 O ASN A 32 20.651 27.407 -3.553 1.00 1.00 O ATOM 204 CB ASN A 32 22.590 29.501 -4.468 1.00 1.00 C ATOM 205 CG ASN A 32 23.837 30.004 -5.195 1.00 1.00 C ATOM 206 OD1 ASN A 32 23.739 30.754 -6.145 1.00 1.00 O ATOM 207 ND2 ASN A 32 25.015 29.619 -4.786 1.00 1.00 N ATOM 0 H ASN A 32 20.111 29.610 -5.348 1.00 1.00 H new ATOM 0 HA ASN A 32 22.576 28.087 -6.096 1.00 1.00 H new ATOM 0 HB2 ASN A 32 21.910 30.330 -4.274 1.00 1.00 H new ATOM 0 HB3 ASN A 32 22.865 29.081 -3.500 1.00 1.00 H new ATOM 0 HD21 ASN A 32 25.854 29.948 -5.264 1.00 1.00 H new ATOM 0 HD22 ASN A 32 25.097 28.989 -3.988 1.00 1.00 H new ATOM 208 N CYS A 33 22.052 26.117 -4.645 1.00 1.00 N ATOM 209 CA CYS A 33 21.693 24.940 -3.806 1.00 1.00 C ATOM 210 C CYS A 33 22.965 24.365 -3.176 1.00 1.00 C ATOM 211 O CYS A 33 24.058 24.647 -3.627 1.00 1.00 O ATOM 212 CB CYS A 33 21.026 23.873 -4.677 1.00 1.00 C ATOM 213 SG CYS A 33 21.755 23.901 -6.333 1.00 1.00 S ATOM 0 H CYS A 33 22.753 25.940 -5.364 1.00 1.00 H new ATOM 0 HA CYS A 33 21.001 25.247 -3.022 1.00 1.00 H new ATOM 0 HB2 CYS A 33 21.156 22.888 -4.228 1.00 1.00 H new ATOM 0 HB3 CYS A 33 19.953 24.057 -4.737 1.00 1.00 H new ATOM 214 N PRO A 34 22.786 23.573 -2.149 1.00 1.00 N ATOM 215 CA PRO A 34 23.903 22.956 -1.452 1.00 1.00 C ATOM 216 C PRO A 34 24.848 22.293 -2.458 1.00 1.00 C ATOM 217 O PRO A 34 24.429 21.803 -3.488 1.00 1.00 O ATOM 218 CB PRO A 34 23.256 21.915 -0.544 1.00 1.00 C ATOM 219 CG PRO A 34 21.817 22.475 -0.317 1.00 1.00 C ATOM 220 CD PRO A 34 21.454 23.244 -1.620 1.00 1.00 C ATOM 0 HA PRO A 34 24.500 23.674 -0.890 1.00 1.00 H new ATOM 0 HB2 PRO A 34 23.235 20.931 -1.013 1.00 1.00 H new ATOM 0 HB3 PRO A 34 23.798 21.809 0.395 1.00 1.00 H new ATOM 0 HG2 PRO A 34 21.108 21.669 -0.128 1.00 1.00 H new ATOM 0 HG3 PRO A 34 21.786 23.136 0.549 1.00 1.00 H new ATOM 0 HD2 PRO A 34 20.879 22.629 -2.312 1.00 1.00 H new ATOM 0 HD3 PRO A 34 20.861 24.136 -1.418 1.00 1.00 H new ATOM 221 N LYS A 35 26.121 22.277 -2.170 1.00 1.00 N ATOM 222 CA LYS A 35 27.092 21.651 -3.113 1.00 1.00 C ATOM 223 C LYS A 35 26.787 20.157 -3.248 1.00 1.00 C ATOM 224 O LYS A 35 27.312 19.485 -4.114 1.00 1.00 O ATOM 225 CB LYS A 35 28.514 21.836 -2.578 1.00 1.00 C ATOM 226 CG LYS A 35 28.685 21.035 -1.286 1.00 1.00 C ATOM 227 CD LYS A 35 29.735 21.711 -0.401 1.00 1.00 C ATOM 228 CE LYS A 35 29.099 22.112 0.932 1.00 1.00 C ATOM 229 NZ LYS A 35 29.703 21.307 2.032 1.00 1.00 N ATOM 0 H LYS A 35 26.531 22.670 -1.323 1.00 1.00 H new ATOM 0 HA LYS A 35 27.006 22.127 -4.090 1.00 1.00 H new ATOM 0 HB2 LYS A 35 29.239 21.505 -3.322 1.00 1.00 H new ATOM 0 HB3 LYS A 35 28.709 22.892 -2.391 1.00 1.00 H new ATOM 0 HG2 LYS A 35 27.734 20.971 -0.757 1.00 1.00 H new ATOM 0 HG3 LYS A 35 28.991 20.014 -1.516 1.00 1.00 H new ATOM 0 HD2 LYS A 35 30.571 21.033 -0.228 1.00 1.00 H new ATOM 0 HD3 LYS A 35 30.137 22.591 -0.903 1.00 1.00 H new ATOM 0 HE2 LYS A 35 29.255 23.175 1.117 1.00 1.00 H new ATOM 0 HE3 LYS A 35 28.022 21.949 0.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 29.271 21.579 2.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 29.532 20.296 1.857 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 30.727 21.484 2.069 1.00 1.00 H new ATOM 230 N LYS A 36 25.945 19.632 -2.402 1.00 1.00 N ATOM 231 CA LYS A 36 25.612 18.183 -2.486 1.00 1.00 C ATOM 232 C LYS A 36 24.499 17.970 -3.514 1.00 1.00 C ATOM 233 O LYS A 36 23.933 16.901 -3.611 1.00 1.00 O ATOM 234 CB LYS A 36 25.138 17.688 -1.118 1.00 1.00 C ATOM 235 CG LYS A 36 23.967 18.550 -0.646 1.00 1.00 C ATOM 236 CD LYS A 36 22.807 17.649 -0.216 1.00 1.00 C ATOM 237 CE LYS A 36 22.321 18.072 1.171 1.00 1.00 C ATOM 238 NZ LYS A 36 20.980 17.476 1.431 1.00 1.00 N ATOM 0 H LYS A 36 25.473 20.144 -1.656 1.00 1.00 H new ATOM 0 HA LYS A 36 26.499 17.627 -2.790 1.00 1.00 H new ATOM 0 HB2 LYS A 36 24.833 16.644 -1.182 1.00 1.00 H new ATOM 0 HB3 LYS A 36 25.955 17.738 -0.398 1.00 1.00 H new ATOM 0 HG2 LYS A 36 24.279 19.181 0.187 1.00 1.00 H new ATOM 0 HG3 LYS A 36 23.646 19.216 -1.447 1.00 1.00 H new ATOM 0 HD2 LYS A 36 21.992 17.719 -0.936 1.00 1.00 H new ATOM 0 HD3 LYS A 36 23.128 16.608 -0.199 1.00 1.00 H new ATOM 0 HE2 LYS A 36 23.030 17.745 1.932 1.00 1.00 H new ATOM 0 HE3 LYS A 36 22.266 19.159 1.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 20.649 17.764 2.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 20.307 17.809 0.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 21.047 16.439 1.389 1.00 1.00 H new ATOM 239 N PHE A 37 24.177 18.975 -4.282 1.00 1.00 N ATOM 240 CA PHE A 37 23.098 18.818 -5.299 1.00 1.00 C ATOM 241 C PHE A 37 23.685 18.996 -6.700 1.00 1.00 C ATOM 242 O PHE A 37 24.697 19.645 -6.881 1.00 1.00 O ATOM 243 CB PHE A 37 22.015 19.874 -5.067 1.00 1.00 C ATOM 244 CG PHE A 37 21.088 19.412 -3.968 1.00 1.00 C ATOM 245 CD1 PHE A 37 20.212 18.342 -4.196 1.00 1.00 C ATOM 246 CD2 PHE A 37 21.102 20.053 -2.723 1.00 1.00 C ATOM 247 CE1 PHE A 37 19.350 17.913 -3.177 1.00 1.00 C ATOM 248 CE2 PHE A 37 20.240 19.624 -1.704 1.00 1.00 C ATOM 249 CZ PHE A 37 19.365 18.554 -1.931 1.00 1.00 C ATOM 0 H PHE A 37 24.613 19.896 -4.250 1.00 1.00 H new ATOM 0 HA PHE A 37 22.662 17.823 -5.209 1.00 1.00 H new ATOM 0 HB2 PHE A 37 22.472 20.826 -4.796 1.00 1.00 H new ATOM 0 HB3 PHE A 37 21.452 20.041 -5.986 1.00 1.00 H new ATOM 0 HD1 PHE A 37 20.201 17.848 -5.156 1.00 1.00 H new ATOM 0 HD2 PHE A 37 21.777 20.878 -2.548 1.00 1.00 H new ATOM 0 HE1 PHE A 37 18.675 17.089 -3.352 1.00 1.00 H new ATOM 0 HE2 PHE A 37 20.251 20.119 -0.744 1.00 1.00 H new ATOM 0 HZ PHE A 37 18.702 18.223 -1.146 1.00 1.00 H new ATOM 250 N GLY A 38 23.058 18.428 -7.695 1.00 1.00 N ATOM 251 CA GLY A 38 23.585 18.572 -9.081 1.00 1.00 C ATOM 252 C GLY A 38 22.822 17.646 -10.028 1.00 1.00 C ATOM 253 O GLY A 38 22.435 16.556 -9.668 1.00 1.00 O ATOM 0 H GLY A 38 22.207 17.873 -7.608 1.00 1.00 H new ATOM 0 HA2 GLY A 38 23.486 19.606 -9.411 1.00 1.00 H new ATOM 0 HA3 GLY A 38 24.648 18.332 -9.102 1.00 1.00 H new ATOM 254 N GLY A 39 22.610 18.076 -11.241 1.00 1.00 N ATOM 255 CA GLY A 39 21.882 17.230 -12.226 1.00 1.00 C ATOM 256 C GLY A 39 20.554 17.883 -12.589 1.00 1.00 C ATOM 257 O GLY A 39 19.875 18.449 -11.746 1.00 1.00 O ATOM 0 H GLY A 39 22.912 18.984 -11.594 1.00 1.00 H new ATOM 0 HA2 GLY A 39 22.488 17.096 -13.122 1.00 1.00 H new ATOM 0 HA3 GLY A 39 21.707 16.238 -11.808 1.00 1.00 H new ATOM 258 N GLN A 40 20.193 17.806 -13.849 1.00 1.00 N ATOM 259 CA GLN A 40 18.917 18.415 -14.320 1.00 1.00 C ATOM 260 C GLN A 40 18.819 19.838 -13.783 1.00 1.00 C ATOM 261 O GLN A 40 19.279 20.781 -14.395 1.00 1.00 O ATOM 262 CB GLN A 40 17.735 17.587 -13.811 1.00 1.00 C ATOM 263 CG GLN A 40 17.703 16.241 -14.537 1.00 1.00 C ATOM 264 CD GLN A 40 18.640 15.258 -13.833 1.00 1.00 C ATOM 265 OE1 GLN A 40 18.819 15.325 -12.633 1.00 1.00 O ATOM 266 NE2 GLN A 40 19.250 14.341 -14.533 1.00 1.00 N ATOM 0 H GLN A 40 20.737 17.341 -14.575 1.00 1.00 H new ATOM 0 HA GLN A 40 18.896 18.432 -15.410 1.00 1.00 H new ATOM 0 HB2 GLN A 40 17.824 17.430 -12.736 1.00 1.00 H new ATOM 0 HB3 GLN A 40 16.802 18.125 -13.979 1.00 1.00 H new ATOM 0 HG2 GLN A 40 16.687 15.846 -14.549 1.00 1.00 H new ATOM 0 HG3 GLN A 40 18.007 16.369 -15.576 1.00 1.00 H new ATOM 0 HE21 GLN A 40 19.100 14.284 -15.540 1.00 1.00 H new ATOM 0 HE22 GLN A 40 19.877 13.681 -14.073 1.00 1.00 H new ATOM 267 N HIS A 41 18.243 19.992 -12.631 1.00 1.00 N ATOM 268 CA HIS A 41 18.128 21.339 -12.024 1.00 1.00 C ATOM 269 C HIS A 41 18.583 21.217 -10.579 1.00 1.00 C ATOM 270 O HIS A 41 17.822 21.393 -9.658 1.00 1.00 O ATOM 271 CB HIS A 41 16.671 21.807 -12.084 1.00 1.00 C ATOM 272 CG HIS A 41 16.331 22.215 -13.492 1.00 1.00 C ATOM 273 ND1 HIS A 41 17.126 23.084 -14.223 1.00 1.00 N ATOM 274 CD2 HIS A 41 15.285 21.881 -14.316 1.00 1.00 C ATOM 275 CE1 HIS A 41 16.550 23.242 -15.429 1.00 1.00 C ATOM 276 NE2 HIS A 41 15.425 22.531 -15.538 1.00 1.00 N ATOM 0 H HIS A 41 17.843 19.234 -12.078 1.00 1.00 H new ATOM 0 HA HIS A 41 18.739 22.066 -12.558 1.00 1.00 H new ATOM 0 HB2 HIS A 41 16.007 21.007 -11.756 1.00 1.00 H new ATOM 0 HB3 HIS A 41 16.519 22.646 -11.405 1.00 1.00 H new ATOM 0 HD2 HIS A 41 14.476 21.215 -14.055 1.00 1.00 H new ATOM 0 HE1 HIS A 41 16.949 23.868 -16.213 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.802 22.476 -16.344 1.00 1.00 H new ATOM 277 N CYS A 42 19.815 20.863 -10.363 1.00 1.00 N ATOM 278 CA CYS A 42 20.272 20.687 -8.966 1.00 1.00 C ATOM 279 C CYS A 42 19.256 19.785 -8.271 1.00 1.00 C ATOM 280 O CYS A 42 18.434 20.240 -7.490 1.00 1.00 O ATOM 281 CB CYS A 42 20.336 22.042 -8.256 1.00 1.00 C ATOM 282 SG CYS A 42 21.610 21.989 -6.971 1.00 1.00 S ATOM 0 H CYS A 42 20.516 20.690 -11.084 1.00 1.00 H new ATOM 0 HA CYS A 42 21.268 20.246 -8.940 1.00 1.00 H new ATOM 0 HB2 CYS A 42 20.561 22.831 -8.974 1.00 1.00 H new ATOM 0 HB3 CYS A 42 19.368 22.279 -7.814 1.00 1.00 H new ATOM 283 N GLU A 43 19.282 18.517 -8.600 1.00 1.00 N ATOM 284 CA GLU A 43 18.306 17.558 -8.003 1.00 1.00 C ATOM 285 C GLU A 43 19.050 16.334 -7.460 1.00 1.00 C ATOM 286 O GLU A 43 18.739 15.827 -6.400 1.00 1.00 O ATOM 287 CB GLU A 43 17.315 17.124 -9.098 1.00 1.00 C ATOM 288 CG GLU A 43 16.561 15.848 -8.689 1.00 1.00 C ATOM 289 CD GLU A 43 15.265 16.225 -7.969 1.00 1.00 C ATOM 290 OE1 GLU A 43 14.289 16.496 -8.649 1.00 1.00 O ATOM 291 OE2 GLU A 43 15.270 16.237 -6.749 1.00 1.00 O ATOM 0 H GLU A 43 19.941 18.105 -9.260 1.00 1.00 H new ATOM 0 HA GLU A 43 17.769 18.034 -7.183 1.00 1.00 H new ATOM 0 HB2 GLU A 43 16.602 17.927 -9.286 1.00 1.00 H new ATOM 0 HB3 GLU A 43 17.852 16.950 -10.030 1.00 1.00 H new ATOM 0 HG2 GLU A 43 16.337 15.247 -9.571 1.00 1.00 H new ATOM 0 HG3 GLU A 43 17.186 15.237 -8.038 1.00 1.00 H new ATOM 292 N ILE A 44 20.014 15.844 -8.185 1.00 1.00 N ATOM 293 CA ILE A 44 20.761 14.638 -7.723 1.00 1.00 C ATOM 294 C ILE A 44 21.657 14.991 -6.536 1.00 1.00 C ATOM 295 O ILE A 44 22.013 16.133 -6.329 1.00 1.00 O ATOM 296 CB ILE A 44 21.622 14.109 -8.870 1.00 1.00 C ATOM 297 CG1 ILE A 44 20.873 14.317 -10.191 1.00 1.00 C ATOM 298 CG2 ILE A 44 21.899 12.619 -8.657 1.00 1.00 C ATOM 299 CD1 ILE A 44 21.492 13.448 -11.286 1.00 1.00 C ATOM 0 H ILE A 44 20.319 16.226 -9.080 1.00 1.00 H new ATOM 0 HA ILE A 44 20.047 13.875 -7.411 1.00 1.00 H new ATOM 0 HB ILE A 44 22.571 14.645 -8.900 1.00 1.00 H new ATOM 0 HG12 ILE A 44 19.820 14.063 -10.066 1.00 1.00 H new ATOM 0 HG13 ILE A 44 20.915 15.367 -10.481 1.00 1.00 H new ATOM 0 HG21 ILE A 44 22.513 12.242 -9.475 1.00 1.00 H new ATOM 0 HG22 ILE A 44 22.426 12.478 -7.713 1.00 1.00 H new ATOM 0 HG23 ILE A 44 20.956 12.074 -8.631 1.00 1.00 H new ATOM 0 HD11 ILE A 44 20.953 13.602 -12.221 1.00 1.00 H new ATOM 0 HD12 ILE A 44 22.538 13.723 -11.420 1.00 1.00 H new ATOM 0 HD13 ILE A 44 21.426 12.399 -10.998 1.00 1.00 H new ATOM 300 N ASP A 45 22.027 14.009 -5.758 1.00 1.00 N ATOM 301 CA ASP A 45 22.903 14.274 -4.585 1.00 1.00 C ATOM 302 C ASP A 45 24.360 14.001 -4.969 1.00 1.00 C ATOM 303 O ASP A 45 24.637 13.292 -5.916 1.00 1.00 O ATOM 304 CB ASP A 45 22.500 13.355 -3.429 1.00 1.00 C ATOM 305 CG ASP A 45 21.998 14.198 -2.255 1.00 1.00 C ATOM 306 OD1 ASP A 45 21.547 15.305 -2.496 1.00 1.00 O ATOM 307 OD2 ASP A 45 22.073 13.721 -1.134 1.00 1.00 O ATOM 0 H ASP A 45 21.759 13.033 -5.886 1.00 1.00 H new ATOM 0 HA ASP A 45 22.795 15.314 -4.276 1.00 1.00 H new ATOM 0 HB2 ASP A 45 21.721 12.665 -3.754 1.00 1.00 H new ATOM 0 HB3 ASP A 45 23.352 12.750 -3.118 1.00 1.00 H new ATOM 308 N LYS A 46 25.293 14.555 -4.244 1.00 1.00 N ATOM 309 CA LYS A 46 26.727 14.320 -4.574 1.00 1.00 C ATOM 310 C LYS A 46 27.504 14.013 -3.292 1.00 1.00 C ATOM 311 O LYS A 46 27.597 12.878 -2.869 1.00 1.00 O ATOM 312 CB LYS A 46 27.312 15.569 -5.239 1.00 1.00 C ATOM 313 CG LYS A 46 26.688 15.750 -6.624 1.00 1.00 C ATOM 314 CD LYS A 46 26.969 17.167 -7.130 1.00 1.00 C ATOM 315 CE LYS A 46 27.325 17.117 -8.617 1.00 1.00 C ATOM 316 NZ LYS A 46 27.702 18.481 -9.083 1.00 1.00 N ATOM 0 H LYS A 46 25.125 15.159 -3.439 1.00 1.00 H new ATOM 0 HA LYS A 46 26.806 13.475 -5.258 1.00 1.00 H new ATOM 0 HB2 LYS A 46 27.117 16.447 -4.623 1.00 1.00 H new ATOM 0 HB3 LYS A 46 28.394 15.475 -5.326 1.00 1.00 H new ATOM 0 HG2 LYS A 46 27.099 15.017 -7.318 1.00 1.00 H new ATOM 0 HG3 LYS A 46 25.613 15.576 -6.576 1.00 1.00 H new ATOM 0 HD2 LYS A 46 26.095 17.800 -6.976 1.00 1.00 H new ATOM 0 HD3 LYS A 46 27.788 17.611 -6.564 1.00 1.00 H new ATOM 0 HE2 LYS A 46 28.150 16.424 -8.781 1.00 1.00 H new ATOM 0 HE3 LYS A 46 26.477 16.746 -9.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 27.944 18.448 -10.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 26.902 19.130 -8.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 28.523 18.818 -8.541 1.00 1.00 H new ATOM 370 N ASN A 54 17.837 12.617 12.549 1.00 1.00 N ATOM 371 CA ASN A 54 16.465 12.166 12.184 1.00 1.00 C ATOM 372 C ASN A 54 15.703 13.332 11.552 1.00 1.00 C ATOM 373 O ASN A 54 14.969 14.039 12.215 1.00 1.00 O ATOM 374 CB ASN A 54 15.730 11.695 13.440 1.00 1.00 C ATOM 375 CG ASN A 54 15.766 12.800 14.498 1.00 1.00 C ATOM 376 OD1 ASN A 54 16.217 13.896 14.234 1.00 1.00 O ATOM 377 ND2 ASN A 54 15.305 12.555 15.695 1.00 1.00 N ATOM 0 HA ASN A 54 16.528 11.342 11.473 1.00 1.00 H new ATOM 0 HB2 ASN A 54 14.698 11.443 13.197 1.00 1.00 H new ATOM 0 HB3 ASN A 54 16.196 10.790 13.829 1.00 1.00 H new ATOM 0 HD21 ASN A 54 15.324 13.284 16.408 1.00 1.00 H new ATOM 0 HD22 ASN A 54 14.926 11.634 15.917 1.00 1.00 H new ATOM 378 N GLY A 55 15.873 13.542 10.276 1.00 1.00 N ATOM 379 CA GLY A 55 15.163 14.665 9.603 1.00 1.00 C ATOM 380 C GLY A 55 13.666 14.356 9.526 1.00 1.00 C ATOM 381 O GLY A 55 12.868 14.930 10.239 1.00 1.00 O ATOM 0 H GLY A 55 16.474 12.984 9.670 1.00 1.00 H new ATOM 0 HA2 GLY A 55 15.325 15.592 10.153 1.00 1.00 H new ATOM 0 HA3 GLY A 55 15.565 14.814 8.601 1.00 1.00 H new ATOM 382 N HIS A 56 13.282 13.452 8.666 1.00 1.00 N ATOM 383 CA HIS A 56 11.836 13.103 8.538 1.00 1.00 C ATOM 384 C HIS A 56 11.620 12.266 7.273 1.00 1.00 C ATOM 385 O HIS A 56 10.676 11.508 7.174 1.00 1.00 O ATOM 386 CB HIS A 56 11.002 14.388 8.452 1.00 1.00 C ATOM 387 CG HIS A 56 9.609 14.062 7.982 1.00 1.00 C ATOM 388 ND1 HIS A 56 8.736 13.293 8.736 1.00 1.00 N ATOM 389 CD2 HIS A 56 8.924 14.394 6.838 1.00 1.00 C ATOM 390 CE1 HIS A 56 7.586 13.189 8.044 1.00 1.00 C ATOM 391 NE2 HIS A 56 7.647 13.842 6.880 1.00 1.00 N ATOM 0 H HIS A 56 13.908 12.939 8.045 1.00 1.00 H new ATOM 0 HA HIS A 56 11.525 12.528 9.410 1.00 1.00 H new ATOM 0 HB2 HIS A 56 10.962 14.873 9.428 1.00 1.00 H new ATOM 0 HB3 HIS A 56 11.472 15.092 7.765 1.00 1.00 H new ATOM 0 HD2 HIS A 56 9.317 14.992 6.029 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.719 12.644 8.388 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.915 13.919 6.174 1.00 1.00 H new ATOM 392 N PHE A 57 12.485 12.398 6.303 1.00 1.00 N ATOM 393 CA PHE A 57 12.323 11.611 5.051 1.00 1.00 C ATOM 394 C PHE A 57 13.690 11.075 4.614 1.00 1.00 C ATOM 395 O PHE A 57 14.485 10.651 5.430 1.00 1.00 O ATOM 396 CB PHE A 57 11.734 12.510 3.961 1.00 1.00 C ATOM 397 CG PHE A 57 12.690 13.639 3.671 1.00 1.00 C ATOM 398 CD1 PHE A 57 12.971 14.591 4.660 1.00 1.00 C ATOM 399 CD2 PHE A 57 13.299 13.734 2.413 1.00 1.00 C ATOM 400 CE1 PHE A 57 13.862 15.637 4.391 1.00 1.00 C ATOM 401 CE2 PHE A 57 14.190 14.780 2.144 1.00 1.00 C ATOM 402 CZ PHE A 57 14.471 15.731 3.133 1.00 1.00 C ATOM 0 H PHE A 57 13.295 13.017 6.326 1.00 1.00 H new ATOM 0 HA PHE A 57 11.648 10.772 5.221 1.00 1.00 H new ATOM 0 HB2 PHE A 57 11.553 11.931 3.056 1.00 1.00 H new ATOM 0 HB3 PHE A 57 10.772 12.908 4.283 1.00 1.00 H new ATOM 0 HD1 PHE A 57 12.500 14.518 5.629 1.00 1.00 H new ATOM 0 HD2 PHE A 57 13.081 13.001 1.651 1.00 1.00 H new ATOM 0 HE1 PHE A 57 14.080 16.371 5.153 1.00 1.00 H new ATOM 0 HE2 PHE A 57 14.660 14.853 1.175 1.00 1.00 H new ATOM 0 HZ PHE A 57 15.158 16.538 2.925 1.00 1.00 H new ATOM 403 N TYR A 58 13.976 11.082 3.341 1.00 1.00 N ATOM 404 CA TYR A 58 15.295 10.566 2.880 1.00 1.00 C ATOM 405 C TYR A 58 15.471 10.855 1.387 1.00 1.00 C ATOM 406 O TYR A 58 16.262 11.689 0.997 1.00 1.00 O ATOM 407 CB TYR A 58 15.358 9.057 3.120 1.00 1.00 C ATOM 408 CG TYR A 58 16.764 8.668 3.503 1.00 1.00 C ATOM 409 CD1 TYR A 58 17.845 9.075 2.710 1.00 1.00 C ATOM 410 CD2 TYR A 58 16.989 7.899 4.653 1.00 1.00 C ATOM 411 CE1 TYR A 58 19.150 8.712 3.065 1.00 1.00 C ATOM 412 CE2 TYR A 58 18.295 7.536 5.008 1.00 1.00 C ATOM 413 CZ TYR A 58 19.376 7.943 4.215 1.00 1.00 C ATOM 414 OH TYR A 58 20.661 7.585 4.565 1.00 1.00 O ATOM 0 H TYR A 58 13.357 11.421 2.604 1.00 1.00 H new ATOM 0 HA TYR A 58 16.092 11.059 3.436 1.00 1.00 H new ATOM 0 HB2 TYR A 58 14.663 8.774 3.910 1.00 1.00 H new ATOM 0 HB3 TYR A 58 15.053 8.522 2.221 1.00 1.00 H new ATOM 0 HD1 TYR A 58 17.672 9.669 1.825 1.00 1.00 H new ATOM 0 HD2 TYR A 58 16.156 7.586 5.265 1.00 1.00 H new ATOM 0 HE1 TYR A 58 19.983 9.025 2.452 1.00 1.00 H new ATOM 0 HE2 TYR A 58 18.468 6.942 5.893 1.00 1.00 H new ATOM 0 HH TYR A 58 21.288 8.273 4.257 1.00 1.00 H new ATOM 415 N ARG A 59 14.743 10.168 0.550 1.00 1.00 N ATOM 416 CA ARG A 59 14.875 10.402 -0.916 1.00 1.00 C ATOM 417 C ARG A 59 16.327 10.165 -1.339 1.00 1.00 C ATOM 418 O ARG A 59 16.794 10.706 -2.321 1.00 1.00 O ATOM 419 CB ARG A 59 14.477 11.844 -1.241 1.00 1.00 C ATOM 420 CG ARG A 59 13.424 11.845 -2.351 1.00 1.00 C ATOM 421 CD ARG A 59 12.152 12.532 -1.849 1.00 1.00 C ATOM 422 NE ARG A 59 12.036 13.881 -2.472 1.00 1.00 N ATOM 423 CZ ARG A 59 10.986 14.182 -3.188 1.00 1.00 C ATOM 424 NH1 ARG A 59 10.803 13.614 -4.349 1.00 1.00 N ATOM 425 NH2 ARG A 59 10.119 15.050 -2.743 1.00 1.00 N ATOM 0 H ARG A 59 14.063 9.456 0.817 1.00 1.00 H new ATOM 0 HA ARG A 59 14.222 9.716 -1.455 1.00 1.00 H new ATOM 0 HB2 ARG A 59 14.082 12.333 -0.350 1.00 1.00 H new ATOM 0 HB3 ARG A 59 15.353 12.412 -1.555 1.00 1.00 H new ATOM 0 HG2 ARG A 59 13.807 12.364 -3.230 1.00 1.00 H new ATOM 0 HG3 ARG A 59 13.201 10.823 -2.656 1.00 1.00 H new ATOM 0 HD2 ARG A 59 11.278 11.929 -2.097 1.00 1.00 H new ATOM 0 HD3 ARG A 59 12.179 12.622 -0.763 1.00 1.00 H new ATOM 0 HE ARG A 59 12.777 14.569 -2.339 1.00 1.00 H new ATOM 0 HH11 ARG A 59 11.480 12.935 -4.697 1.00 1.00 H new ATOM 0 HH12 ARG A 59 9.983 13.849 -4.908 1.00 1.00 H new ATOM 0 HH21 ARG A 59 10.261 15.494 -1.836 1.00 1.00 H new ATOM 0 HH22 ARG A 59 9.299 15.285 -3.303 1.00 1.00 H new ATOM 426 N GLY A 60 17.043 9.358 -0.603 1.00 1.00 N ATOM 427 CA GLY A 60 18.464 9.085 -0.962 1.00 1.00 C ATOM 428 C GLY A 60 18.626 7.610 -1.333 1.00 1.00 C ATOM 429 O GLY A 60 18.237 7.183 -2.402 1.00 1.00 O ATOM 0 H GLY A 60 16.705 8.877 0.230 1.00 1.00 H new ATOM 0 HA2 GLY A 60 18.766 9.716 -1.798 1.00 1.00 H new ATOM 0 HA3 GLY A 60 19.115 9.333 -0.124 1.00 1.00 H new ATOM 430 N LYS A 61 19.198 6.827 -0.458 1.00 1.00 N ATOM 431 CA LYS A 61 19.385 5.380 -0.764 1.00 1.00 C ATOM 432 C LYS A 61 19.189 4.556 0.511 1.00 1.00 C ATOM 433 O LYS A 61 18.426 4.918 1.385 1.00 1.00 O ATOM 434 CB LYS A 61 20.797 5.154 -1.308 1.00 1.00 C ATOM 435 CG LYS A 61 20.751 4.122 -2.436 1.00 1.00 C ATOM 436 CD LYS A 61 20.432 4.823 -3.758 1.00 1.00 C ATOM 437 CE LYS A 61 20.818 3.913 -4.925 1.00 1.00 C ATOM 438 NZ LYS A 61 20.155 2.588 -4.760 1.00 1.00 N ATOM 0 H LYS A 61 19.543 7.127 0.454 1.00 1.00 H new ATOM 0 HA LYS A 61 18.654 5.069 -1.510 1.00 1.00 H new ATOM 0 HB2 LYS A 61 21.211 6.093 -1.676 1.00 1.00 H new ATOM 0 HB3 LYS A 61 21.454 4.807 -0.510 1.00 1.00 H new ATOM 0 HG2 LYS A 61 21.707 3.604 -2.508 1.00 1.00 H new ATOM 0 HG3 LYS A 61 19.995 3.367 -2.221 1.00 1.00 H new ATOM 0 HD2 LYS A 61 19.370 5.064 -3.807 1.00 1.00 H new ATOM 0 HD3 LYS A 61 20.976 5.765 -3.823 1.00 1.00 H new ATOM 0 HE2 LYS A 61 20.518 4.367 -5.869 1.00 1.00 H new ATOM 0 HE3 LYS A 61 21.900 3.789 -4.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 20.127 2.097 -5.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 20.690 2.015 -4.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 19.185 2.726 -4.411 1.00 1.00 H new ATOM 439 N ALA A 62 19.867 3.445 0.623 1.00 1.00 N ATOM 440 CA ALA A 62 19.714 2.598 1.839 1.00 1.00 C ATOM 441 C ALA A 62 18.257 2.148 1.960 1.00 1.00 C ATOM 442 O ALA A 62 17.381 2.930 2.271 1.00 1.00 O ATOM 443 CB ALA A 62 20.102 3.405 3.080 1.00 1.00 C ATOM 0 H ALA A 62 20.520 3.088 -0.075 1.00 1.00 H new ATOM 0 HA ALA A 62 20.363 1.726 1.759 1.00 1.00 H new ATOM 0 HB1 ALA A 62 19.989 2.783 3.968 1.00 1.00 H new ATOM 0 HB2 ALA A 62 21.139 3.729 2.993 1.00 1.00 H new ATOM 0 HB3 ALA A 62 19.454 4.278 3.164 1.00 1.00 H new ATOM 444 N SER A 63 17.989 0.895 1.715 1.00 1.00 N ATOM 445 CA SER A 63 16.585 0.406 1.816 1.00 1.00 C ATOM 446 C SER A 63 16.474 -0.609 2.955 1.00 1.00 C ATOM 447 O SER A 63 15.412 -0.823 3.503 1.00 1.00 O ATOM 448 CB SER A 63 16.178 -0.261 0.502 1.00 1.00 C ATOM 449 OG SER A 63 17.225 -0.109 -0.448 1.00 1.00 O ATOM 0 H SER A 63 18.678 0.191 1.450 1.00 1.00 H new ATOM 0 HA SER A 63 15.925 1.250 2.016 1.00 1.00 H new ATOM 0 HB2 SER A 63 15.972 -1.319 0.667 1.00 1.00 H new ATOM 0 HB3 SER A 63 15.260 0.187 0.123 1.00 1.00 H new ATOM 0 HG SER A 63 16.999 -0.600 -1.266 1.00 1.00 H new ATOM 450 N THR A 64 17.559 -1.237 3.316 1.00 1.00 N ATOM 451 CA THR A 64 17.499 -2.235 4.420 1.00 1.00 C ATOM 452 C THR A 64 17.306 -1.505 5.752 1.00 1.00 C ATOM 453 O THR A 64 17.900 -0.474 5.997 1.00 1.00 O ATOM 454 CB THR A 64 18.799 -3.044 4.460 1.00 1.00 C ATOM 455 OG1 THR A 64 19.906 -2.172 4.284 1.00 1.00 O ATOM 456 CG2 THR A 64 18.788 -4.091 3.345 1.00 1.00 C ATOM 0 H THR A 64 18.479 -1.103 2.897 1.00 1.00 H new ATOM 0 HA THR A 64 16.663 -2.913 4.250 1.00 1.00 H new ATOM 0 HB THR A 64 18.883 -3.546 5.424 1.00 1.00 H new ATOM 0 HG1 THR A 64 20.738 -2.690 4.311 1.00 1.00 H new ATOM 0 HG21 THR A 64 19.714 -4.665 3.376 1.00 1.00 H new ATOM 0 HG22 THR A 64 17.940 -4.762 3.484 1.00 1.00 H new ATOM 0 HG23 THR A 64 18.702 -3.593 2.379 1.00 1.00 H new ATOM 457 N ASP A 65 16.473 -2.027 6.611 1.00 1.00 N ATOM 458 CA ASP A 65 16.236 -1.357 7.922 1.00 1.00 C ATOM 459 C ASP A 65 17.493 -1.464 8.795 1.00 1.00 C ATOM 460 O ASP A 65 18.595 -1.586 8.298 1.00 1.00 O ATOM 461 CB ASP A 65 15.053 -2.026 8.623 1.00 1.00 C ATOM 462 CG ASP A 65 15.354 -3.508 8.842 1.00 1.00 C ATOM 463 OD1 ASP A 65 16.335 -3.978 8.293 1.00 1.00 O ATOM 464 OD2 ASP A 65 14.599 -4.146 9.557 1.00 1.00 O ATOM 0 H ASP A 65 15.947 -2.888 6.462 1.00 1.00 H new ATOM 0 HA ASP A 65 16.011 -0.303 7.759 1.00 1.00 H new ATOM 0 HB2 ASP A 65 14.862 -1.539 9.579 1.00 1.00 H new ATOM 0 HB3 ASP A 65 14.151 -1.913 8.022 1.00 1.00 H new ATOM 465 N THR A 66 17.338 -1.419 10.094 1.00 1.00 N ATOM 466 CA THR A 66 18.517 -1.517 10.997 1.00 1.00 C ATOM 467 C THR A 66 18.826 -2.986 11.278 1.00 1.00 C ATOM 468 O THR A 66 19.391 -3.325 12.299 1.00 1.00 O ATOM 469 CB THR A 66 18.210 -0.799 12.313 1.00 1.00 C ATOM 470 OG1 THR A 66 16.826 -0.930 12.609 1.00 1.00 O ATOM 471 CG2 THR A 66 18.568 0.682 12.186 1.00 1.00 C ATOM 0 H THR A 66 16.440 -1.318 10.567 1.00 1.00 H new ATOM 0 HA THR A 66 19.379 -1.051 10.520 1.00 1.00 H new ATOM 0 HB THR A 66 18.799 -1.244 13.115 1.00 1.00 H new ATOM 0 HG1 THR A 66 16.627 -0.472 13.452 1.00 1.00 H new ATOM 0 HG21 THR A 66 18.348 1.191 13.124 1.00 1.00 H new ATOM 0 HG22 THR A 66 19.629 0.782 11.959 1.00 1.00 H new ATOM 0 HG23 THR A 66 17.982 1.131 11.384 1.00 1.00 H new ATOM 472 N MET A 67 18.463 -3.863 10.385 1.00 1.00 N ATOM 473 CA MET A 67 18.741 -5.303 10.610 1.00 1.00 C ATOM 474 C MET A 67 19.459 -5.856 9.385 1.00 1.00 C ATOM 475 O MET A 67 20.447 -6.555 9.488 1.00 1.00 O ATOM 476 CB MET A 67 17.426 -6.055 10.821 1.00 1.00 C ATOM 477 CG MET A 67 17.265 -6.385 12.306 1.00 1.00 C ATOM 478 SD MET A 67 15.634 -5.841 12.873 1.00 1.00 S ATOM 479 CE MET A 67 16.063 -4.107 13.169 1.00 1.00 C ATOM 0 H MET A 67 17.986 -3.643 9.511 1.00 1.00 H new ATOM 0 HA MET A 67 19.365 -5.429 11.495 1.00 1.00 H new ATOM 0 HB2 MET A 67 16.588 -5.448 10.479 1.00 1.00 H new ATOM 0 HB3 MET A 67 17.419 -6.971 10.230 1.00 1.00 H new ATOM 0 HG2 MET A 67 17.378 -7.457 12.465 1.00 1.00 H new ATOM 0 HG3 MET A 67 18.046 -5.893 12.885 1.00 1.00 H new ATOM 0 HE1 MET A 67 15.397 -3.691 13.925 1.00 1.00 H new ATOM 0 HE2 MET A 67 17.094 -4.042 13.518 1.00 1.00 H new ATOM 0 HE3 MET A 67 15.957 -3.543 12.242 1.00 1.00 H new ATOM 480 N GLY A 68 18.968 -5.534 8.223 1.00 1.00 N ATOM 481 CA GLY A 68 19.612 -6.020 6.976 1.00 1.00 C ATOM 482 C GLY A 68 18.534 -6.350 5.949 1.00 1.00 C ATOM 483 O GLY A 68 18.780 -6.366 4.759 1.00 1.00 O ATOM 0 H GLY A 68 18.143 -4.951 8.084 1.00 1.00 H new ATOM 0 HA2 GLY A 68 20.286 -5.260 6.581 1.00 1.00 H new ATOM 0 HA3 GLY A 68 20.215 -6.904 7.185 1.00 1.00 H new ATOM 484 N ARG A 69 17.336 -6.606 6.396 1.00 1.00 N ATOM 485 CA ARG A 69 16.244 -6.922 5.440 1.00 1.00 C ATOM 486 C ARG A 69 15.909 -5.656 4.649 1.00 1.00 C ATOM 487 O ARG A 69 15.900 -4.577 5.203 1.00 1.00 O ATOM 488 CB ARG A 69 15.006 -7.379 6.213 1.00 1.00 C ATOM 489 CG ARG A 69 14.567 -6.265 7.163 1.00 1.00 C ATOM 490 CD ARG A 69 14.026 -6.877 8.456 1.00 1.00 C ATOM 491 NE ARG A 69 14.964 -7.928 8.939 1.00 1.00 N ATOM 492 CZ ARG A 69 14.504 -9.092 9.308 1.00 1.00 C ATOM 493 NH1 ARG A 69 13.615 -9.170 10.259 1.00 1.00 N ATOM 494 NH2 ARG A 69 14.934 -10.177 8.724 1.00 1.00 N ATOM 0 H ARG A 69 17.068 -6.610 7.380 1.00 1.00 H new ATOM 0 HA ARG A 69 16.558 -7.716 4.763 1.00 1.00 H new ATOM 0 HB2 ARG A 69 14.200 -7.622 5.521 1.00 1.00 H new ATOM 0 HB3 ARG A 69 15.228 -8.286 6.775 1.00 1.00 H new ATOM 0 HG2 ARG A 69 15.409 -5.609 7.384 1.00 1.00 H new ATOM 0 HG3 ARG A 69 13.800 -5.651 6.690 1.00 1.00 H new ATOM 0 HD2 ARG A 69 13.908 -6.104 9.215 1.00 1.00 H new ATOM 0 HD3 ARG A 69 13.040 -7.307 8.282 1.00 1.00 H new ATOM 0 HE ARG A 69 15.965 -7.738 8.981 1.00 1.00 H new ATOM 0 HH11 ARG A 69 13.279 -8.321 10.714 1.00 1.00 H new ATOM 0 HH12 ARG A 69 13.255 -10.080 10.548 1.00 1.00 H new ATOM 0 HH21 ARG A 69 15.629 -10.115 7.980 1.00 1.00 H new ATOM 0 HH22 ARG A 69 14.575 -11.087 9.012 1.00 1.00 H new ATOM 495 N PRO A 70 15.642 -5.821 3.379 1.00 1.00 N ATOM 496 CA PRO A 70 15.309 -4.699 2.512 1.00 1.00 C ATOM 497 C PRO A 70 13.884 -4.201 2.793 1.00 1.00 C ATOM 498 O PRO A 70 13.375 -3.335 2.110 1.00 1.00 O ATOM 499 CB PRO A 70 15.408 -5.271 1.105 1.00 1.00 C ATOM 500 CG PRO A 70 15.114 -6.790 1.309 1.00 1.00 C ATOM 501 CD PRO A 70 15.658 -7.137 2.724 1.00 1.00 C ATOM 0 HA PRO A 70 15.969 -3.845 2.664 1.00 1.00 H new ATOM 0 HB2 PRO A 70 14.686 -4.809 0.432 1.00 1.00 H new ATOM 0 HB3 PRO A 70 16.396 -5.108 0.674 1.00 1.00 H new ATOM 0 HG2 PRO A 70 14.046 -6.995 1.239 1.00 1.00 H new ATOM 0 HG3 PRO A 70 15.605 -7.390 0.543 1.00 1.00 H new ATOM 0 HD2 PRO A 70 15.025 -7.859 3.240 1.00 1.00 H new ATOM 0 HD3 PRO A 70 16.661 -7.563 2.684 1.00 1.00 H new ATOM 502 N CYS A 71 13.238 -4.741 3.792 1.00 1.00 N ATOM 503 CA CYS A 71 11.853 -4.301 4.117 1.00 1.00 C ATOM 504 C CYS A 71 10.911 -4.656 2.968 1.00 1.00 C ATOM 505 O CYS A 71 11.335 -4.932 1.864 1.00 1.00 O ATOM 506 CB CYS A 71 11.825 -2.788 4.337 1.00 1.00 C ATOM 507 SG CYS A 71 10.143 -2.282 4.774 1.00 1.00 S ATOM 0 H CYS A 71 13.613 -5.471 4.398 1.00 1.00 H new ATOM 0 HA CYS A 71 11.529 -4.808 5.026 1.00 1.00 H new ATOM 0 HB2 CYS A 71 12.519 -2.511 5.131 1.00 1.00 H new ATOM 0 HB3 CYS A 71 12.150 -2.271 3.434 1.00 1.00 H new ATOM 508 N LEU A 72 9.632 -4.644 3.223 1.00 1.00 N ATOM 509 CA LEU A 72 8.654 -4.973 2.152 1.00 1.00 C ATOM 510 C LEU A 72 8.286 -3.696 1.397 1.00 1.00 C ATOM 511 O LEU A 72 8.302 -2.620 1.961 1.00 1.00 O ATOM 512 CB LEU A 72 7.385 -5.556 2.775 1.00 1.00 C ATOM 513 CG LEU A 72 7.730 -6.799 3.590 1.00 1.00 C ATOM 514 CD1 LEU A 72 7.187 -6.640 5.010 1.00 1.00 C ATOM 515 CD2 LEU A 72 7.089 -8.023 2.933 1.00 1.00 C ATOM 0 H LEU A 72 9.222 -4.420 4.130 1.00 1.00 H new ATOM 0 HA LEU A 72 9.098 -5.699 1.471 1.00 1.00 H new ATOM 0 HB2 LEU A 72 6.908 -4.812 3.414 1.00 1.00 H new ATOM 0 HB3 LEU A 72 6.669 -5.810 1.993 1.00 1.00 H new ATOM 0 HG LEU A 72 8.812 -6.927 3.627 1.00 1.00 H new ATOM 0 HD11 LEU A 72 7.432 -7.527 5.595 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.637 -5.763 5.475 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.105 -6.517 4.974 1.00 1.00 H new ATOM 0 HD21 LEU A 72 7.332 -8.915 3.511 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.007 -7.894 2.902 1.00 1.00 H new ATOM 0 HD23 LEU A 72 7.471 -8.133 1.918 1.00 1.00 H new ATOM 516 N PRO A 73 7.946 -3.856 0.146 1.00 1.00 N ATOM 517 CA PRO A 73 7.552 -2.734 -0.684 1.00 1.00 C ATOM 518 C PRO A 73 6.181 -2.234 -0.228 1.00 1.00 C ATOM 519 O PRO A 73 5.331 -3.009 0.158 1.00 1.00 O ATOM 520 CB PRO A 73 7.482 -3.307 -2.095 1.00 1.00 C ATOM 521 CG PRO A 73 7.219 -4.827 -1.856 1.00 1.00 C ATOM 522 CD PRO A 73 7.932 -5.168 -0.517 1.00 1.00 C ATOM 0 HA PRO A 73 8.240 -1.890 -0.628 1.00 1.00 H new ATOM 0 HB2 PRO A 73 6.682 -2.847 -2.676 1.00 1.00 H new ATOM 0 HB3 PRO A 73 8.410 -3.141 -2.643 1.00 1.00 H new ATOM 0 HG2 PRO A 73 6.151 -5.035 -1.796 1.00 1.00 H new ATOM 0 HG3 PRO A 73 7.615 -5.427 -2.675 1.00 1.00 H new ATOM 0 HD2 PRO A 73 7.386 -5.914 0.060 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.937 -5.559 -0.675 1.00 1.00 H new ATOM 523 N TRP A 74 5.955 -0.951 -0.260 1.00 1.00 N ATOM 524 CA TRP A 74 4.633 -0.427 0.182 1.00 1.00 C ATOM 525 C TRP A 74 3.530 -1.022 -0.697 1.00 1.00 C ATOM 526 O TRP A 74 2.360 -0.938 -0.380 1.00 1.00 O ATOM 527 CB TRP A 74 4.630 1.098 0.083 1.00 1.00 C ATOM 528 CG TRP A 74 5.858 1.625 0.753 1.00 1.00 C ATOM 529 CD1 TRP A 74 7.011 1.949 0.124 1.00 1.00 C ATOM 530 CD2 TRP A 74 6.078 1.884 2.170 1.00 1.00 C ATOM 531 NE1 TRP A 74 7.925 2.389 1.065 1.00 1.00 N ATOM 532 CE2 TRP A 74 7.397 2.367 2.341 1.00 1.00 C ATOM 533 CE3 TRP A 74 5.266 1.746 3.312 1.00 1.00 C ATOM 534 CZ2 TRP A 74 7.894 2.702 3.602 1.00 1.00 C ATOM 535 CZ3 TRP A 74 5.762 2.083 4.582 1.00 1.00 C ATOM 536 CH2 TRP A 74 7.073 2.559 4.727 1.00 1.00 C ATOM 0 H TRP A 74 6.624 -0.246 -0.571 1.00 1.00 H new ATOM 0 HA TRP A 74 4.450 -0.712 1.218 1.00 1.00 H new ATOM 0 HB2 TRP A 74 4.607 1.409 -0.962 1.00 1.00 H new ATOM 0 HB3 TRP A 74 3.737 1.506 0.557 1.00 1.00 H new ATOM 0 HD1 TRP A 74 7.189 1.876 -0.939 1.00 1.00 H new ATOM 0 HE1 TRP A 74 8.873 2.693 0.843 1.00 1.00 H new ATOM 0 HE3 TRP A 74 4.255 1.379 3.211 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 8.904 3.069 3.709 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 5.130 1.975 5.451 1.00 1.00 H new ATOM 0 HH2 TRP A 74 7.449 2.815 5.706 1.00 1.00 H new ATOM 537 N ASN A 75 3.892 -1.637 -1.792 1.00 1.00 N ATOM 538 CA ASN A 75 2.861 -2.250 -2.673 1.00 1.00 C ATOM 539 C ASN A 75 2.562 -3.667 -2.180 1.00 1.00 C ATOM 540 O ASN A 75 1.461 -4.162 -2.321 1.00 1.00 O ATOM 541 CB ASN A 75 3.377 -2.304 -4.112 1.00 1.00 C ATOM 542 CG ASN A 75 2.224 -2.027 -5.079 1.00 1.00 C ATOM 543 OD1 ASN A 75 2.348 -1.214 -5.973 1.00 1.00 O ATOM 544 ND2 ASN A 75 1.100 -2.674 -4.936 1.00 1.00 N ATOM 0 H ASN A 75 4.855 -1.740 -2.112 1.00 1.00 H new ATOM 0 HA ASN A 75 1.951 -1.651 -2.644 1.00 1.00 H new ATOM 0 HB2 ASN A 75 4.169 -1.568 -4.253 1.00 1.00 H new ATOM 0 HB3 ASN A 75 3.811 -3.283 -4.317 1.00 1.00 H new ATOM 0 HD21 ASN A 75 0.325 -2.497 -5.575 1.00 1.00 H new ATOM 0 HD22 ASN A 75 0.996 -3.357 -4.185 1.00 1.00 H new ATOM 545 N SER A 76 3.536 -4.316 -1.591 1.00 1.00 N ATOM 546 CA SER A 76 3.326 -5.689 -1.067 1.00 1.00 C ATOM 547 C SER A 76 1.962 -5.744 -0.401 1.00 1.00 C ATOM 548 O SER A 76 1.761 -5.209 0.665 1.00 1.00 O ATOM 549 CB SER A 76 4.412 -6.021 -0.043 1.00 1.00 C ATOM 550 OG SER A 76 5.163 -7.137 -0.501 1.00 1.00 O ATOM 0 H SER A 76 4.475 -3.944 -1.452 1.00 1.00 H new ATOM 0 HA SER A 76 3.376 -6.413 -1.881 1.00 1.00 H new ATOM 0 HB2 SER A 76 5.067 -5.162 0.101 1.00 1.00 H new ATOM 0 HB3 SER A 76 3.961 -6.244 0.924 1.00 1.00 H new ATOM 0 HG SER A 76 5.752 -7.451 0.216 1.00 1.00 H new ATOM 551 N ALA A 77 1.029 -6.363 -1.057 1.00 1.00 N ATOM 552 CA ALA A 77 -0.369 -6.453 -0.529 1.00 1.00 C ATOM 553 C ALA A 77 -0.374 -6.505 1.003 1.00 1.00 C ATOM 554 O ALA A 77 -1.272 -5.991 1.639 1.00 1.00 O ATOM 555 CB ALA A 77 -1.034 -7.717 -1.078 1.00 1.00 C ATOM 0 H ALA A 77 1.172 -6.822 -1.956 1.00 1.00 H new ATOM 0 HA ALA A 77 -0.918 -5.567 -0.848 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.053 -7.787 -0.696 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -1.057 -7.673 -2.167 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -0.467 -8.593 -0.762 1.00 1.00 H new ATOM 556 N THR A 78 0.617 -7.098 1.607 1.00 1.00 N ATOM 557 CA THR A 78 0.644 -7.144 3.096 1.00 1.00 C ATOM 558 C THR A 78 0.553 -5.715 3.634 1.00 1.00 C ATOM 559 O THR A 78 -0.414 -5.340 4.267 1.00 1.00 O ATOM 560 CB THR A 78 1.953 -7.781 3.569 1.00 1.00 C ATOM 561 OG1 THR A 78 2.264 -8.891 2.739 1.00 1.00 O ATOM 562 CG2 THR A 78 1.802 -8.249 5.018 1.00 1.00 C ATOM 0 H THR A 78 1.403 -7.549 1.140 1.00 1.00 H new ATOM 0 HA THR A 78 -0.195 -7.736 3.461 1.00 1.00 H new ATOM 0 HB THR A 78 2.757 -7.047 3.510 1.00 1.00 H new ATOM 0 HG1 THR A 78 3.103 -9.299 3.039 1.00 1.00 H new ATOM 0 HG21 THR A 78 2.735 -8.702 5.353 1.00 1.00 H new ATOM 0 HG22 THR A 78 1.565 -7.396 5.653 1.00 1.00 H new ATOM 0 HG23 THR A 78 0.999 -8.983 5.081 1.00 1.00 H new ATOM 563 N VAL A 79 1.548 -4.910 3.377 1.00 1.00 N ATOM 564 CA VAL A 79 1.518 -3.512 3.857 1.00 1.00 C ATOM 565 C VAL A 79 0.363 -2.781 3.159 1.00 1.00 C ATOM 566 O VAL A 79 -0.369 -2.032 3.772 1.00 1.00 O ATOM 567 CB VAL A 79 2.867 -2.854 3.541 1.00 1.00 C ATOM 568 CG1 VAL A 79 3.392 -3.321 2.182 1.00 1.00 C ATOM 569 CG2 VAL A 79 2.702 -1.350 3.512 1.00 1.00 C ATOM 0 H VAL A 79 2.383 -5.169 2.851 1.00 1.00 H new ATOM 0 HA VAL A 79 1.357 -3.468 4.934 1.00 1.00 H new ATOM 0 HB VAL A 79 3.579 -3.140 4.315 1.00 1.00 H new ATOM 0 HG11 VAL A 79 4.350 -2.842 1.978 1.00 1.00 H new ATOM 0 HG12 VAL A 79 3.523 -4.403 2.195 1.00 1.00 H new ATOM 0 HG13 VAL A 79 2.678 -3.051 1.404 1.00 1.00 H new ATOM 0 HG21 VAL A 79 3.661 -0.883 3.287 1.00 1.00 H new ATOM 0 HG22 VAL A 79 1.977 -1.078 2.744 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.349 -1.004 4.483 1.00 1.00 H new ATOM 570 N LEU A 80 0.176 -3.017 1.889 1.00 1.00 N ATOM 571 CA LEU A 80 -0.954 -2.363 1.175 1.00 1.00 C ATOM 572 C LEU A 80 -2.209 -2.582 2.010 1.00 1.00 C ATOM 573 O LEU A 80 -3.147 -1.811 1.976 1.00 1.00 O ATOM 574 CB LEU A 80 -1.139 -3.015 -0.199 1.00 1.00 C ATOM 575 CG LEU A 80 -0.929 -1.973 -1.297 1.00 1.00 C ATOM 576 CD1 LEU A 80 -1.391 -2.541 -2.640 1.00 1.00 C ATOM 577 CD2 LEU A 80 -1.743 -0.720 -0.974 1.00 1.00 C ATOM 0 H LEU A 80 0.755 -3.632 1.318 1.00 1.00 H new ATOM 0 HA LEU A 80 -0.759 -1.300 1.037 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -0.431 -3.834 -0.322 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -2.138 -3.443 -0.277 1.00 1.00 H new ATOM 0 HG LEU A 80 0.129 -1.719 -1.353 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -1.240 -1.796 -3.421 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -0.814 -3.435 -2.875 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -2.449 -2.797 -2.582 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -1.593 0.023 -1.757 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -2.800 -0.978 -0.916 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -1.417 -0.310 -0.018 1.00 1.00 H new ATOM 578 N GLN A 81 -2.212 -3.640 2.772 1.00 1.00 N ATOM 579 CA GLN A 81 -3.376 -3.947 3.639 1.00 1.00 C ATOM 580 C GLN A 81 -3.275 -3.102 4.909 1.00 1.00 C ATOM 581 O GLN A 81 -4.255 -2.586 5.407 1.00 1.00 O ATOM 582 CB GLN A 81 -3.343 -5.433 4.005 1.00 1.00 C ATOM 583 CG GLN A 81 -4.653 -6.094 3.580 1.00 1.00 C ATOM 584 CD GLN A 81 -5.184 -6.963 4.721 1.00 1.00 C ATOM 585 OE1 GLN A 81 -5.514 -6.463 5.778 1.00 1.00 O ATOM 586 NE2 GLN A 81 -5.280 -8.254 4.553 1.00 1.00 N ATOM 0 H GLN A 81 -1.446 -4.311 2.829 1.00 1.00 H new ATOM 0 HA GLN A 81 -4.308 -3.721 3.120 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -2.501 -5.921 3.513 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -3.196 -5.550 5.079 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -5.388 -5.333 3.317 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -4.493 -6.703 2.690 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -5.003 -8.675 3.666 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -5.632 -8.842 5.309 1.00 1.00 H new ATOM 587 N GLN A 82 -2.089 -2.962 5.434 1.00 1.00 N ATOM 588 CA GLN A 82 -1.906 -2.156 6.671 1.00 1.00 C ATOM 589 C GLN A 82 -2.065 -0.662 6.359 1.00 1.00 C ATOM 590 O GLN A 82 -2.598 -0.283 5.335 1.00 1.00 O ATOM 591 CB GLN A 82 -0.518 -2.432 7.251 1.00 1.00 C ATOM 592 CG GLN A 82 0.533 -1.593 6.526 1.00 1.00 C ATOM 593 CD GLN A 82 1.004 -0.443 7.423 1.00 1.00 C ATOM 594 OE1 GLN A 82 1.312 0.626 6.937 1.00 1.00 O ATOM 595 NE2 GLN A 82 1.086 -0.615 8.716 1.00 1.00 N ATOM 0 H GLN A 82 -1.236 -3.374 5.057 1.00 1.00 H new ATOM 0 HA GLN A 82 -2.665 -2.436 7.402 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -0.508 -2.200 8.316 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -0.279 -3.491 7.154 1.00 1.00 H new ATOM 0 HG2 GLN A 82 1.381 -2.219 6.250 1.00 1.00 H new ATOM 0 HG3 GLN A 82 0.116 -1.195 5.601 1.00 1.00 H new ATOM 0 HE21 GLN A 82 0.828 -1.512 9.129 1.00 1.00 H new ATOM 0 HE22 GLN A 82 1.408 0.147 9.312 1.00 1.00 H new ATOM 596 N THR A 83 -1.611 0.187 7.243 1.00 1.00 N ATOM 597 CA THR A 83 -1.738 1.657 7.016 1.00 1.00 C ATOM 598 C THR A 83 -0.635 2.144 6.060 1.00 1.00 C ATOM 599 O THR A 83 -0.700 1.917 4.868 1.00 1.00 O ATOM 600 CB THR A 83 -1.623 2.382 8.361 1.00 1.00 C ATOM 601 OG1 THR A 83 -0.500 1.877 9.071 1.00 1.00 O ATOM 602 CG2 THR A 83 -2.893 2.149 9.182 1.00 1.00 C ATOM 0 H THR A 83 -1.155 -0.076 8.117 1.00 1.00 H new ATOM 0 HA THR A 83 -2.707 1.872 6.565 1.00 1.00 H new ATOM 0 HB THR A 83 -1.498 3.451 8.188 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.019 2.624 9.436 1.00 1.00 H new ATOM 0 HG21 THR A 83 -2.808 2.666 10.138 1.00 1.00 H new ATOM 0 HG22 THR A 83 -3.755 2.534 8.637 1.00 1.00 H new ATOM 0 HG23 THR A 83 -3.022 1.081 9.357 1.00 1.00 H new ATOM 603 N TYR A 84 0.374 2.815 6.567 1.00 1.00 N ATOM 604 CA TYR A 84 1.469 3.315 5.681 1.00 1.00 C ATOM 605 C TYR A 84 1.825 2.258 4.636 1.00 1.00 C ATOM 606 O TYR A 84 2.566 1.330 4.895 1.00 1.00 O ATOM 607 CB TYR A 84 2.696 3.648 6.528 1.00 1.00 C ATOM 608 CG TYR A 84 2.341 4.761 7.485 1.00 1.00 C ATOM 609 CD1 TYR A 84 1.576 5.849 7.045 1.00 1.00 C ATOM 610 CD2 TYR A 84 2.768 4.697 8.818 1.00 1.00 C ATOM 611 CE1 TYR A 84 1.239 6.874 7.939 1.00 1.00 C ATOM 612 CE2 TYR A 84 2.430 5.721 9.712 1.00 1.00 C ATOM 613 CZ TYR A 84 1.666 6.810 9.273 1.00 1.00 C ATOM 614 OH TYR A 84 1.333 7.820 10.153 1.00 1.00 O ATOM 0 H TYR A 84 0.484 3.037 7.557 1.00 1.00 H new ATOM 0 HA TYR A 84 1.131 4.214 5.165 1.00 1.00 H new ATOM 0 HB2 TYR A 84 3.024 2.767 7.079 1.00 1.00 H new ATOM 0 HB3 TYR A 84 3.525 3.951 5.888 1.00 1.00 H new ATOM 0 HD1 TYR A 84 1.246 5.898 6.018 1.00 1.00 H new ATOM 0 HD2 TYR A 84 3.358 3.858 9.156 1.00 1.00 H new ATOM 0 HE1 TYR A 84 0.650 7.714 7.600 1.00 1.00 H new ATOM 0 HE2 TYR A 84 2.758 5.671 10.740 1.00 1.00 H new ATOM 0 HH TYR A 84 2.119 8.382 10.319 1.00 1.00 H new ATOM 615 N HIS A 85 1.294 2.401 3.453 1.00 1.00 N ATOM 616 CA HIS A 85 1.583 1.423 2.369 1.00 1.00 C ATOM 617 C HIS A 85 1.527 2.152 1.024 1.00 1.00 C ATOM 618 O HIS A 85 1.949 3.285 0.908 1.00 1.00 O ATOM 619 CB HIS A 85 0.533 0.303 2.408 1.00 1.00 C ATOM 620 CG HIS A 85 -0.848 0.866 2.170 1.00 1.00 C ATOM 621 ND1 HIS A 85 -1.988 0.261 2.680 1.00 1.00 N ATOM 622 CD2 HIS A 85 -1.293 1.969 1.480 1.00 1.00 C ATOM 623 CE1 HIS A 85 -3.047 0.997 2.290 1.00 1.00 C ATOM 624 NE2 HIS A 85 -2.676 2.046 1.559 1.00 1.00 N ATOM 0 H HIS A 85 0.667 3.161 3.190 1.00 1.00 H new ATOM 0 HA HIS A 85 2.572 0.986 2.504 1.00 1.00 H new ATOM 0 HB2 HIS A 85 0.763 -0.446 1.650 1.00 1.00 H new ATOM 0 HB3 HIS A 85 0.566 -0.201 3.374 1.00 1.00 H new ATOM 0 HD1 HIS A 85 -2.019 -0.586 3.247 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -0.661 2.670 0.955 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -4.072 0.764 2.540 1.00 1.00 H new ATOM 625 N ALA A 86 0.992 1.526 0.012 1.00 1.00 N ATOM 626 CA ALA A 86 0.891 2.199 -1.310 1.00 1.00 C ATOM 627 C ALA A 86 -0.588 2.322 -1.675 1.00 1.00 C ATOM 628 O ALA A 86 -1.085 1.582 -2.496 1.00 1.00 O ATOM 629 CB ALA A 86 1.614 1.364 -2.368 1.00 1.00 C ATOM 0 H ALA A 86 0.621 0.577 0.045 1.00 1.00 H new ATOM 0 HA ALA A 86 1.350 3.186 -1.265 1.00 1.00 H new ATOM 0 HB1 ALA A 86 1.539 1.859 -3.336 1.00 1.00 H new ATOM 0 HB2 ALA A 86 2.664 1.260 -2.094 1.00 1.00 H new ATOM 0 HB3 ALA A 86 1.155 0.377 -2.429 1.00 1.00 H new ATOM 630 N HIS A 87 -1.284 3.249 -1.054 1.00 1.00 N ATOM 631 CA HIS A 87 -2.747 3.445 -1.326 1.00 1.00 C ATOM 632 C HIS A 87 -3.443 3.979 -0.066 1.00 1.00 C ATOM 633 O HIS A 87 -4.599 3.688 0.173 1.00 1.00 O ATOM 634 CB HIS A 87 -3.406 2.109 -1.683 1.00 1.00 C ATOM 635 CG HIS A 87 -3.473 1.945 -3.177 1.00 1.00 C ATOM 636 ND1 HIS A 87 -4.130 0.879 -3.770 1.00 1.00 N ATOM 637 CD2 HIS A 87 -2.948 2.683 -4.208 1.00 1.00 C ATOM 638 CE1 HIS A 87 -3.982 1.001 -5.101 1.00 1.00 C ATOM 639 NE2 HIS A 87 -3.271 2.085 -5.423 1.00 1.00 N ATOM 0 H HIS A 87 -0.894 3.887 -0.360 1.00 1.00 H new ATOM 0 HA HIS A 87 -2.845 4.149 -2.152 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -2.840 1.287 -1.245 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -4.410 2.066 -1.260 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -2.372 3.590 -4.094 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -4.388 0.307 -5.822 1.00 1.00 H new ATOM 0 HE2 HIS A 87 -3.019 2.406 -6.358 1.00 1.00 H new ATOM 640 N ARG A 88 -2.763 4.735 0.754 1.00 1.00 N ATOM 641 CA ARG A 88 -3.414 5.243 1.993 1.00 1.00 C ATOM 642 C ARG A 88 -3.558 6.763 1.914 1.00 1.00 C ATOM 643 O ARG A 88 -3.274 7.373 0.903 1.00 1.00 O ATOM 644 CB ARG A 88 -2.550 4.880 3.203 1.00 1.00 C ATOM 645 CG ARG A 88 -3.449 4.484 4.376 1.00 1.00 C ATOM 646 CD ARG A 88 -2.721 4.760 5.693 1.00 1.00 C ATOM 647 NE ARG A 88 -3.637 4.484 6.835 1.00 1.00 N ATOM 648 CZ ARG A 88 -3.752 5.350 7.805 1.00 1.00 C ATOM 649 NH1 ARG A 88 -2.706 5.680 8.512 1.00 1.00 N ATOM 650 NH2 ARG A 88 -4.912 5.887 8.066 1.00 1.00 N ATOM 0 H ARG A 88 -1.793 5.020 0.620 1.00 1.00 H new ATOM 0 HA ARG A 88 -4.401 4.791 2.094 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -1.881 4.057 2.951 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -1.923 5.727 3.482 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -4.382 5.047 4.339 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -3.711 3.428 4.307 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -1.832 4.134 5.767 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -2.385 5.796 5.725 1.00 1.00 H new ATOM 0 HE ARG A 88 -4.175 3.618 6.859 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -1.799 5.261 8.307 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -2.796 6.357 9.270 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -5.729 5.630 7.512 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -5.002 6.564 8.824 1.00 1.00 H new ATOM 651 N SER A 89 -3.991 7.378 2.979 1.00 1.00 N ATOM 652 CA SER A 89 -4.146 8.858 2.973 1.00 1.00 C ATOM 653 C SER A 89 -2.891 9.495 3.571 1.00 1.00 C ATOM 654 O SER A 89 -2.865 10.670 3.881 1.00 1.00 O ATOM 655 CB SER A 89 -5.366 9.248 3.809 1.00 1.00 C ATOM 656 OG SER A 89 -5.264 10.616 4.180 1.00 1.00 O ATOM 0 H SER A 89 -4.244 6.919 3.854 1.00 1.00 H new ATOM 0 HA SER A 89 -4.284 9.209 1.950 1.00 1.00 H new ATOM 0 HB2 SER A 89 -6.280 9.081 3.239 1.00 1.00 H new ATOM 0 HB3 SER A 89 -5.427 8.622 4.699 1.00 1.00 H new ATOM 0 HG SER A 89 -4.579 11.053 3.632 1.00 1.00 H new ATOM 657 N ASP A 90 -1.846 8.727 3.734 1.00 1.00 N ATOM 658 CA ASP A 90 -0.590 9.287 4.311 1.00 1.00 C ATOM 659 C ASP A 90 0.564 9.054 3.337 1.00 1.00 C ATOM 660 O ASP A 90 1.647 9.575 3.508 1.00 1.00 O ATOM 661 CB ASP A 90 -0.279 8.599 5.640 1.00 1.00 C ATOM 662 CG ASP A 90 -1.584 8.304 6.380 1.00 1.00 C ATOM 663 OD1 ASP A 90 -2.492 9.113 6.286 1.00 1.00 O ATOM 664 OD2 ASP A 90 -1.652 7.274 7.028 1.00 1.00 O ATOM 0 H ASP A 90 -1.809 7.737 3.492 1.00 1.00 H new ATOM 0 HA ASP A 90 -0.717 10.356 4.480 1.00 1.00 H new ATOM 0 HB2 ASP A 90 0.268 7.673 5.463 1.00 1.00 H new ATOM 0 HB3 ASP A 90 0.361 9.236 6.250 1.00 1.00 H new ATOM 665 N ALA A 91 0.341 8.279 2.312 1.00 1.00 N ATOM 666 CA ALA A 91 1.426 8.024 1.327 1.00 1.00 C ATOM 667 C ALA A 91 1.776 9.333 0.624 1.00 1.00 C ATOM 668 O ALA A 91 2.769 9.435 -0.065 1.00 1.00 O ATOM 669 CB ALA A 91 0.947 7.005 0.291 1.00 1.00 C ATOM 0 H ALA A 91 -0.544 7.813 2.115 1.00 1.00 H new ATOM 0 HA ALA A 91 2.304 7.632 1.840 1.00 1.00 H new ATOM 0 HB1 ALA A 91 1.742 6.818 -0.431 1.00 1.00 H new ATOM 0 HB2 ALA A 91 0.685 6.073 0.792 1.00 1.00 H new ATOM 0 HB3 ALA A 91 0.072 7.397 -0.227 1.00 1.00 H new ATOM 670 N LEU A 92 0.962 10.336 0.792 1.00 1.00 N ATOM 671 CA LEU A 92 1.244 11.635 0.132 1.00 1.00 C ATOM 672 C LEU A 92 2.192 12.475 0.991 1.00 1.00 C ATOM 673 O LEU A 92 2.860 13.363 0.501 1.00 1.00 O ATOM 674 CB LEU A 92 -0.043 12.415 -0.142 1.00 1.00 C ATOM 675 CG LEU A 92 -1.098 12.245 0.962 1.00 1.00 C ATOM 676 CD1 LEU A 92 -1.825 10.906 0.807 1.00 1.00 C ATOM 677 CD2 LEU A 92 -0.463 12.341 2.356 1.00 1.00 C ATOM 0 H LEU A 92 0.114 10.310 1.358 1.00 1.00 H new ATOM 0 HA LEU A 92 1.721 11.423 -0.825 1.00 1.00 H new ATOM 0 HB2 LEU A 92 0.196 13.473 -0.248 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -0.464 12.087 -1.092 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.821 13.055 0.860 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -2.569 10.802 1.597 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.320 10.871 -0.164 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.105 10.091 0.877 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.234 12.217 3.116 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.287 11.558 2.469 1.00 1.00 H new ATOM 0 HD23 LEU A 92 0.010 13.316 2.474 1.00 1.00 H new ATOM 678 N GLN A 93 2.272 12.195 2.260 1.00 1.00 N ATOM 679 CA GLN A 93 3.193 12.970 3.130 1.00 1.00 C ATOM 680 C GLN A 93 4.572 12.325 3.046 1.00 1.00 C ATOM 681 O GLN A 93 5.592 12.981 3.126 1.00 1.00 O ATOM 682 CB GLN A 93 2.686 12.938 4.573 1.00 1.00 C ATOM 683 CG GLN A 93 1.870 14.202 4.854 1.00 1.00 C ATOM 684 CD GLN A 93 2.252 14.762 6.226 1.00 1.00 C ATOM 685 OE1 GLN A 93 3.388 14.657 6.643 1.00 1.00 O ATOM 686 NE2 GLN A 93 1.344 15.359 6.949 1.00 1.00 N ATOM 0 H GLN A 93 1.740 11.464 2.731 1.00 1.00 H new ATOM 0 HA GLN A 93 3.244 14.009 2.805 1.00 1.00 H new ATOM 0 HB2 GLN A 93 2.072 12.052 4.735 1.00 1.00 H new ATOM 0 HB3 GLN A 93 3.527 12.874 5.264 1.00 1.00 H new ATOM 0 HG2 GLN A 93 2.056 14.947 4.081 1.00 1.00 H new ATOM 0 HG3 GLN A 93 0.805 13.973 4.827 1.00 1.00 H new ATOM 0 HE21 GLN A 93 0.390 15.447 6.599 1.00 1.00 H new ATOM 0 HE22 GLN A 93 1.588 15.737 7.864 1.00 1.00 H new ATOM 687 N LEU A 94 4.599 11.032 2.876 1.00 1.00 N ATOM 688 CA LEU A 94 5.891 10.311 2.772 1.00 1.00 C ATOM 689 C LEU A 94 6.055 9.775 1.349 1.00 1.00 C ATOM 690 O LEU A 94 7.031 9.125 1.030 1.00 1.00 O ATOM 691 CB LEU A 94 5.891 9.143 3.758 1.00 1.00 C ATOM 692 CG LEU A 94 5.645 9.668 5.173 1.00 1.00 C ATOM 693 CD1 LEU A 94 6.549 10.871 5.441 1.00 1.00 C ATOM 694 CD2 LEU A 94 4.182 10.091 5.316 1.00 1.00 C ATOM 0 H LEU A 94 3.770 10.441 2.804 1.00 1.00 H new ATOM 0 HA LEU A 94 6.713 10.988 3.004 1.00 1.00 H new ATOM 0 HB2 LEU A 94 5.118 8.424 3.486 1.00 1.00 H new ATOM 0 HB3 LEU A 94 6.845 8.617 3.715 1.00 1.00 H new ATOM 0 HG LEU A 94 5.868 8.880 5.892 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.371 11.242 6.450 1.00 1.00 H new ATOM 0 HD12 LEU A 94 7.592 10.571 5.344 1.00 1.00 H new ATOM 0 HD13 LEU A 94 6.329 11.659 4.720 1.00 1.00 H new ATOM 0 HD21 LEU A 94 4.008 10.465 6.325 1.00 1.00 H new ATOM 0 HD22 LEU A 94 3.958 10.877 4.594 1.00 1.00 H new ATOM 0 HD23 LEU A 94 3.535 9.233 5.131 1.00 1.00 H new ATOM 695 N GLY A 95 5.109 10.042 0.485 1.00 1.00 N ATOM 696 CA GLY A 95 5.225 9.544 -0.915 1.00 1.00 C ATOM 697 C GLY A 95 5.511 8.038 -0.918 1.00 1.00 C ATOM 698 O GLY A 95 6.633 7.613 -1.112 1.00 1.00 O ATOM 0 H GLY A 95 4.267 10.580 0.688 1.00 1.00 H new ATOM 0 HA2 GLY A 95 4.303 9.748 -1.459 1.00 1.00 H new ATOM 0 HA3 GLY A 95 6.024 10.075 -1.433 1.00 1.00 H new ATOM 699 N LEU A 96 4.505 7.225 -0.724 1.00 1.00 N ATOM 700 CA LEU A 96 4.728 5.749 -0.739 1.00 1.00 C ATOM 701 C LEU A 96 4.436 5.232 -2.151 1.00 1.00 C ATOM 702 O LEU A 96 4.513 5.969 -3.114 1.00 1.00 O ATOM 703 CB LEU A 96 3.787 5.061 0.261 1.00 1.00 C ATOM 704 CG LEU A 96 3.922 5.708 1.644 1.00 1.00 C ATOM 705 CD1 LEU A 96 2.660 5.433 2.466 1.00 1.00 C ATOM 706 CD2 LEU A 96 5.126 5.113 2.374 1.00 1.00 C ATOM 0 H LEU A 96 3.542 7.518 -0.556 1.00 1.00 H new ATOM 0 HA LEU A 96 5.758 5.529 -0.457 1.00 1.00 H new ATOM 0 HB2 LEU A 96 2.756 5.138 -0.086 1.00 1.00 H new ATOM 0 HB3 LEU A 96 4.024 3.999 0.323 1.00 1.00 H new ATOM 0 HG LEU A 96 4.057 6.783 1.522 1.00 1.00 H new ATOM 0 HD11 LEU A 96 2.758 5.894 3.449 1.00 1.00 H new ATOM 0 HD12 LEU A 96 1.794 5.852 1.954 1.00 1.00 H new ATOM 0 HD13 LEU A 96 2.528 4.357 2.581 1.00 1.00 H new ATOM 0 HD21 LEU A 96 5.220 5.575 3.357 1.00 1.00 H new ATOM 0 HD22 LEU A 96 4.987 4.038 2.490 1.00 1.00 H new ATOM 0 HD23 LEU A 96 6.031 5.301 1.797 1.00 1.00 H new ATOM 707 N GLY A 97 4.094 3.980 -2.291 1.00 1.00 N ATOM 708 CA GLY A 97 3.793 3.448 -3.652 1.00 1.00 C ATOM 709 C GLY A 97 4.526 2.124 -3.876 1.00 1.00 C ATOM 710 O GLY A 97 4.518 1.247 -3.037 1.00 1.00 O ATOM 0 H GLY A 97 4.010 3.307 -1.529 1.00 1.00 H new ATOM 0 HA2 GLY A 97 2.719 3.301 -3.763 1.00 1.00 H new ATOM 0 HA3 GLY A 97 4.096 4.172 -4.409 1.00 1.00 H new ATOM 711 N LYS A 98 5.156 1.971 -5.010 1.00 1.00 N ATOM 712 CA LYS A 98 5.883 0.701 -5.295 1.00 1.00 C ATOM 713 C LYS A 98 7.384 0.905 -5.078 1.00 1.00 C ATOM 714 O LYS A 98 8.117 1.221 -5.994 1.00 1.00 O ATOM 715 CB LYS A 98 5.629 0.282 -6.746 1.00 1.00 C ATOM 716 CG LYS A 98 5.546 -1.244 -6.829 1.00 1.00 C ATOM 717 CD LYS A 98 4.697 -1.647 -8.037 1.00 1.00 C ATOM 718 CE LYS A 98 5.607 -1.888 -9.244 1.00 1.00 C ATOM 719 NZ LYS A 98 5.794 -0.610 -9.987 1.00 1.00 N ATOM 0 H LYS A 98 5.198 2.671 -5.751 1.00 1.00 H new ATOM 0 HA LYS A 98 5.525 -0.078 -4.622 1.00 1.00 H new ATOM 0 HB2 LYS A 98 4.702 0.728 -7.108 1.00 1.00 H new ATOM 0 HB3 LYS A 98 6.430 0.649 -7.387 1.00 1.00 H new ATOM 0 HG2 LYS A 98 6.546 -1.668 -6.917 1.00 1.00 H new ATOM 0 HG3 LYS A 98 5.109 -1.645 -5.914 1.00 1.00 H new ATOM 0 HD2 LYS A 98 4.129 -2.549 -7.811 1.00 1.00 H new ATOM 0 HD3 LYS A 98 3.974 -0.864 -8.264 1.00 1.00 H new ATOM 0 HE2 LYS A 98 6.572 -2.274 -8.915 1.00 1.00 H new ATOM 0 HE3 LYS A 98 5.169 -2.641 -9.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 5.354 -0.687 -10.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 5.348 0.167 -9.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 6.810 -0.417 -10.095 1.00 1.00 H new ATOM 720 N HIS A 99 7.847 0.720 -3.873 1.00 1.00 N ATOM 721 CA HIS A 99 9.300 0.894 -3.595 1.00 1.00 C ATOM 722 C HIS A 99 9.591 0.467 -2.155 1.00 1.00 C ATOM 723 O HIS A 99 8.704 0.398 -1.328 1.00 1.00 O ATOM 724 CB HIS A 99 9.693 2.361 -3.785 1.00 1.00 C ATOM 725 CG HIS A 99 8.804 3.229 -2.940 1.00 1.00 C ATOM 726 ND1 HIS A 99 9.309 4.208 -2.099 1.00 1.00 N ATOM 727 CD2 HIS A 99 7.442 3.277 -2.798 1.00 1.00 C ATOM 728 CE1 HIS A 99 8.262 4.798 -1.492 1.00 1.00 C ATOM 729 NE2 HIS A 99 7.100 4.268 -1.883 1.00 1.00 N ATOM 0 H HIS A 99 7.280 0.455 -3.067 1.00 1.00 H new ATOM 0 HA HIS A 99 9.878 0.279 -4.285 1.00 1.00 H new ATOM 0 HB2 HIS A 99 10.736 2.509 -3.505 1.00 1.00 H new ATOM 0 HB3 HIS A 99 9.602 2.640 -4.835 1.00 1.00 H new ATOM 0 HD1 HIS A 99 10.293 4.439 -1.965 1.00 1.00 H new ATOM 0 HD2 HIS A 99 6.740 2.642 -3.318 1.00 1.00 H new ATOM 0 HE1 HIS A 99 8.351 5.602 -0.776 1.00 1.00 H new ATOM 730 N ASN A 100 10.825 0.176 -1.848 1.00 1.00 N ATOM 731 CA ASN A 100 11.165 -0.248 -0.460 1.00 1.00 C ATOM 732 C ASN A 100 12.051 0.811 0.198 1.00 1.00 C ATOM 733 O ASN A 100 13.187 0.555 0.546 1.00 1.00 O ATOM 734 CB ASN A 100 11.906 -1.588 -0.498 1.00 1.00 C ATOM 735 CG ASN A 100 13.220 -1.431 -1.265 1.00 1.00 C ATOM 736 OD1 ASN A 100 13.233 -0.962 -2.385 1.00 1.00 O ATOM 737 ND2 ASN A 100 14.336 -1.810 -0.705 1.00 1.00 N ATOM 0 H ASN A 100 11.611 0.213 -2.497 1.00 1.00 H new ATOM 0 HA ASN A 100 10.248 -0.360 0.118 1.00 1.00 H new ATOM 0 HB2 ASN A 100 12.105 -1.933 0.517 1.00 1.00 H new ATOM 0 HB3 ASN A 100 11.284 -2.345 -0.975 1.00 1.00 H new ATOM 0 HD21 ASN A 100 15.218 -1.712 -1.208 1.00 1.00 H new ATOM 0 HD22 ASN A 100 14.326 -2.204 0.236 1.00 1.00 H new ATOM 738 N TYR A 101 11.538 1.997 0.375 1.00 1.00 N ATOM 739 CA TYR A 101 12.348 3.071 1.015 1.00 1.00 C ATOM 740 C TYR A 101 12.092 3.064 2.524 1.00 1.00 C ATOM 741 O TYR A 101 11.274 2.315 3.019 1.00 1.00 O ATOM 742 CB TYR A 101 11.948 4.429 0.434 1.00 1.00 C ATOM 743 CG TYR A 101 13.051 4.941 -0.461 1.00 1.00 C ATOM 744 CD1 TYR A 101 14.391 4.806 -0.072 1.00 1.00 C ATOM 745 CD2 TYR A 101 12.736 5.552 -1.682 1.00 1.00 C ATOM 746 CE1 TYR A 101 15.414 5.281 -0.903 1.00 1.00 C ATOM 747 CE2 TYR A 101 13.759 6.027 -2.514 1.00 1.00 C ATOM 748 CZ TYR A 101 15.098 5.891 -2.124 1.00 1.00 C ATOM 749 OH TYR A 101 16.106 6.359 -2.943 1.00 1.00 O ATOM 0 H TYR A 101 10.593 2.269 0.104 1.00 1.00 H new ATOM 0 HA TYR A 101 13.406 2.895 0.823 1.00 1.00 H new ATOM 0 HB2 TYR A 101 11.021 4.335 -0.132 1.00 1.00 H new ATOM 0 HB3 TYR A 101 11.760 5.139 1.239 1.00 1.00 H new ATOM 0 HD1 TYR A 101 14.635 4.335 0.869 1.00 1.00 H new ATOM 0 HD2 TYR A 101 11.704 5.657 -1.982 1.00 1.00 H new ATOM 0 HE1 TYR A 101 16.446 5.177 -0.602 1.00 1.00 H new ATOM 0 HE2 TYR A 101 13.515 6.498 -3.455 1.00 1.00 H new ATOM 0 HH TYR A 101 16.941 6.419 -2.433 1.00 1.00 H new ATOM 750 N CYS A 102 12.784 3.891 3.259 1.00 1.00 N ATOM 751 CA CYS A 102 12.577 3.926 4.734 1.00 1.00 C ATOM 752 C CYS A 102 11.435 4.889 5.069 1.00 1.00 C ATOM 753 O CYS A 102 10.376 4.482 5.503 1.00 1.00 O ATOM 754 CB CYS A 102 13.860 4.400 5.418 1.00 1.00 C ATOM 755 SG CYS A 102 15.199 3.235 5.063 1.00 1.00 S ATOM 0 H CYS A 102 13.483 4.543 2.902 1.00 1.00 H new ATOM 0 HA CYS A 102 12.324 2.927 5.088 1.00 1.00 H new ATOM 0 HB2 CYS A 102 14.127 5.396 5.064 1.00 1.00 H new ATOM 0 HB3 CYS A 102 13.705 4.475 6.494 1.00 1.00 H new ATOM 756 N ARG A 103 11.643 6.163 4.874 1.00 1.00 N ATOM 757 CA ARG A 103 10.572 7.154 5.184 1.00 1.00 C ATOM 758 C ARG A 103 10.409 7.276 6.701 1.00 1.00 C ATOM 759 O ARG A 103 11.278 6.898 7.462 1.00 1.00 O ATOM 760 CB ARG A 103 9.247 6.697 4.571 1.00 1.00 C ATOM 761 CG ARG A 103 9.472 6.269 3.121 1.00 1.00 C ATOM 762 CD ARG A 103 9.172 7.446 2.193 1.00 1.00 C ATOM 763 NE ARG A 103 10.056 7.375 0.997 1.00 1.00 N ATOM 764 CZ ARG A 103 10.524 8.471 0.466 1.00 1.00 C ATOM 765 NH1 ARG A 103 11.525 9.093 1.027 1.00 1.00 N ATOM 766 NH2 ARG A 103 9.990 8.946 -0.626 1.00 1.00 N ATOM 0 H ARG A 103 12.510 6.561 4.513 1.00 1.00 H new ATOM 0 HA ARG A 103 10.851 8.121 4.765 1.00 1.00 H new ATOM 0 HB2 ARG A 103 8.836 5.867 5.146 1.00 1.00 H new ATOM 0 HB3 ARG A 103 8.517 7.506 4.613 1.00 1.00 H new ATOM 0 HG2 ARG A 103 10.501 5.936 2.984 1.00 1.00 H new ATOM 0 HG3 ARG A 103 8.828 5.424 2.875 1.00 1.00 H new ATOM 0 HD2 ARG A 103 8.126 7.424 1.887 1.00 1.00 H new ATOM 0 HD3 ARG A 103 9.330 8.387 2.720 1.00 1.00 H new ATOM 0 HE ARG A 103 10.296 6.470 0.593 1.00 1.00 H new ATOM 0 HH11 ARG A 103 11.942 8.722 1.881 1.00 1.00 H new ATOM 0 HH12 ARG A 103 11.890 9.950 0.611 1.00 1.00 H new ATOM 0 HH21 ARG A 103 9.207 8.460 -1.064 1.00 1.00 H new ATOM 0 HH22 ARG A 103 10.355 9.803 -1.042 1.00 1.00 H new ATOM 767 N ASN A 104 9.299 7.802 7.144 1.00 1.00 N ATOM 768 CA ASN A 104 9.074 7.952 8.610 1.00 1.00 C ATOM 769 C ASN A 104 7.746 8.681 8.846 1.00 1.00 C ATOM 770 O ASN A 104 7.720 9.728 9.461 1.00 1.00 O ATOM 771 CB ASN A 104 10.212 8.774 9.220 1.00 1.00 C ATOM 772 CG ASN A 104 10.442 8.332 10.666 1.00 1.00 C ATOM 773 OD1 ASN A 104 10.492 7.059 10.947 1.00 1.00 O flip ATOM 774 ND2 ASN A 104 10.578 9.155 11.550 1.00 1.00 N flip ATOM 0 H ASN A 104 8.537 8.135 6.553 1.00 1.00 H new ATOM 0 HA ASN A 104 9.043 6.967 9.076 1.00 1.00 H new ATOM 0 HB2 ASN A 104 11.124 8.640 8.638 1.00 1.00 H new ATOM 0 HB3 ASN A 104 9.966 9.835 9.188 1.00 1.00 H new ATOM 0 HD21 ASN A 104 10.539 10.150 11.331 1.00 1.00 H new ATOM 0 HD22 ASN A 104 10.731 8.850 12.511 1.00 1.00 H new ATOM 775 N PRO A 105 6.679 8.104 8.351 1.00 1.00 N ATOM 776 CA PRO A 105 5.351 8.684 8.501 1.00 1.00 C ATOM 777 C PRO A 105 4.922 8.652 9.973 1.00 1.00 C ATOM 778 O PRO A 105 3.903 9.199 10.344 1.00 1.00 O ATOM 779 CB PRO A 105 4.447 7.799 7.645 1.00 1.00 C ATOM 780 CG PRO A 105 5.218 6.448 7.586 1.00 1.00 C ATOM 781 CD PRO A 105 6.725 6.835 7.610 1.00 1.00 C ATOM 0 HA PRO A 105 5.309 9.728 8.191 1.00 1.00 H new ATOM 0 HB2 PRO A 105 3.460 7.680 8.093 1.00 1.00 H new ATOM 0 HB3 PRO A 105 4.297 8.220 6.651 1.00 1.00 H new ATOM 0 HG2 PRO A 105 4.962 5.811 8.433 1.00 1.00 H new ATOM 0 HG3 PRO A 105 4.969 5.892 6.682 1.00 1.00 H new ATOM 0 HD2 PRO A 105 7.335 6.085 8.114 1.00 1.00 H new ATOM 0 HD3 PRO A 105 7.135 6.958 6.608 1.00 1.00 H new ATOM 782 N ASP A 106 5.699 8.024 10.816 1.00 1.00 N ATOM 783 CA ASP A 106 5.344 7.969 12.261 1.00 1.00 C ATOM 784 C ASP A 106 6.450 8.652 13.069 1.00 1.00 C ATOM 785 O ASP A 106 7.507 8.093 13.275 1.00 1.00 O ATOM 786 CB ASP A 106 5.208 6.511 12.706 1.00 1.00 C ATOM 787 CG ASP A 106 3.768 6.246 13.152 1.00 1.00 C ATOM 788 OD1 ASP A 106 3.102 7.195 13.530 1.00 1.00 O ATOM 789 OD2 ASP A 106 3.356 5.098 13.107 1.00 1.00 O ATOM 0 H ASP A 106 6.565 7.547 10.564 1.00 1.00 H new ATOM 0 HA ASP A 106 4.395 8.480 12.426 1.00 1.00 H new ATOM 0 HB2 ASP A 106 5.475 5.843 11.887 1.00 1.00 H new ATOM 0 HB3 ASP A 106 5.898 6.303 13.524 1.00 1.00 H new ATOM 790 N ASN A 107 6.203 9.861 13.507 1.00 1.00 N ATOM 791 CA ASN A 107 7.212 10.633 14.298 1.00 1.00 C ATOM 792 C ASN A 107 8.085 9.691 15.127 1.00 1.00 C ATOM 793 O ASN A 107 7.783 9.377 16.261 1.00 1.00 O ATOM 794 CB ASN A 107 6.487 11.602 15.233 1.00 1.00 C ATOM 795 CG ASN A 107 5.197 10.956 15.740 1.00 1.00 C ATOM 796 OD1 ASN A 107 5.060 9.749 15.720 1.00 1.00 O ATOM 797 ND2 ASN A 107 4.238 11.714 16.196 1.00 1.00 N ATOM 0 H ASN A 107 5.326 10.356 13.346 1.00 1.00 H new ATOM 0 HA ASN A 107 7.850 11.184 13.607 1.00 1.00 H new ATOM 0 HB2 ASN A 107 7.130 11.862 16.074 1.00 1.00 H new ATOM 0 HB3 ASN A 107 6.259 12.529 14.707 1.00 1.00 H new ATOM 0 HD21 ASN A 107 3.373 11.293 16.536 1.00 1.00 H new ATOM 0 HD22 ASN A 107 4.353 12.727 16.213 1.00 1.00 H new ATOM 798 N ARG A 108 9.167 9.244 14.562 1.00 1.00 N ATOM 799 CA ARG A 108 10.076 8.324 15.300 1.00 1.00 C ATOM 800 C ARG A 108 11.475 8.941 15.372 1.00 1.00 C ATOM 801 O ARG A 108 11.748 9.956 14.762 1.00 1.00 O ATOM 802 CB ARG A 108 10.146 6.984 14.566 1.00 1.00 C ATOM 803 CG ARG A 108 9.190 5.992 15.227 1.00 1.00 C ATOM 804 CD ARG A 108 9.942 5.187 16.286 1.00 1.00 C ATOM 805 NE ARG A 108 9.626 5.730 17.638 1.00 1.00 N ATOM 806 CZ ARG A 108 10.106 5.150 18.705 1.00 1.00 C ATOM 807 NH1 ARG A 108 10.261 3.855 18.731 1.00 1.00 N ATOM 808 NH2 ARG A 108 10.428 5.867 19.747 1.00 1.00 N ATOM 0 H ARG A 108 9.465 9.477 13.615 1.00 1.00 H new ATOM 0 HA ARG A 108 9.696 8.167 16.310 1.00 1.00 H new ATOM 0 HB2 ARG A 108 9.881 7.117 13.517 1.00 1.00 H new ATOM 0 HB3 ARG A 108 11.164 6.596 14.591 1.00 1.00 H new ATOM 0 HG2 ARG A 108 8.356 6.524 15.684 1.00 1.00 H new ATOM 0 HG3 ARG A 108 8.769 5.322 14.477 1.00 1.00 H new ATOM 0 HD2 ARG A 108 9.659 4.136 16.229 1.00 1.00 H new ATOM 0 HD3 ARG A 108 11.015 5.238 16.103 1.00 1.00 H new ATOM 0 HE ARG A 108 9.034 6.556 17.730 1.00 1.00 H new ATOM 0 HH11 ARG A 108 10.007 3.295 17.917 1.00 1.00 H new ATOM 0 HH12 ARG A 108 10.636 3.403 19.565 1.00 1.00 H new ATOM 0 HH21 ARG A 108 10.305 6.879 19.727 1.00 1.00 H new ATOM 0 HH22 ARG A 108 10.803 5.415 20.581 1.00 1.00 H new ATOM 809 N ARG A 109 12.364 8.336 16.112 1.00 1.00 N ATOM 810 CA ARG A 109 13.744 8.890 16.220 1.00 1.00 C ATOM 811 C ARG A 109 14.603 8.343 15.078 1.00 1.00 C ATOM 812 O ARG A 109 15.815 8.419 15.107 1.00 1.00 O ATOM 813 CB ARG A 109 14.355 8.477 17.561 1.00 1.00 C ATOM 814 CG ARG A 109 13.800 9.372 18.671 1.00 1.00 C ATOM 815 CD ARG A 109 14.444 8.991 20.005 1.00 1.00 C ATOM 816 NE ARG A 109 15.132 10.180 20.582 1.00 1.00 N ATOM 817 CZ ARG A 109 16.255 10.033 21.230 1.00 1.00 C ATOM 818 NH1 ARG A 109 16.274 9.380 22.360 1.00 1.00 N ATOM 819 NH2 ARG A 109 17.357 10.539 20.750 1.00 1.00 N ATOM 0 H ARG A 109 12.195 7.483 16.646 1.00 1.00 H new ATOM 0 HA ARG A 109 13.706 9.978 16.157 1.00 1.00 H new ATOM 0 HB2 ARG A 109 14.124 7.433 17.772 1.00 1.00 H new ATOM 0 HB3 ARG A 109 15.441 8.562 17.520 1.00 1.00 H new ATOM 0 HG2 ARG A 109 14.002 10.419 18.444 1.00 1.00 H new ATOM 0 HG3 ARG A 109 12.717 9.263 18.734 1.00 1.00 H new ATOM 0 HD2 ARG A 109 13.685 8.626 20.696 1.00 1.00 H new ATOM 0 HD3 ARG A 109 15.158 8.180 19.858 1.00 1.00 H new ATOM 0 HE ARG A 109 14.725 11.109 20.470 1.00 1.00 H new ATOM 0 HH11 ARG A 109 15.412 8.985 22.736 1.00 1.00 H new ATOM 0 HH12 ARG A 109 17.151 9.264 22.868 1.00 1.00 H new ATOM 0 HH21 ARG A 109 17.341 11.050 19.867 1.00 1.00 H new ATOM 0 HH22 ARG A 109 18.234 10.424 21.257 1.00 1.00 H new ATOM 820 N ARG A 110 13.983 7.791 14.072 1.00 1.00 N ATOM 821 CA ARG A 110 14.761 7.237 12.927 1.00 1.00 C ATOM 822 C ARG A 110 13.793 6.751 11.845 1.00 1.00 C ATOM 823 O ARG A 110 12.673 6.387 12.140 1.00 1.00 O ATOM 824 CB ARG A 110 15.612 6.062 13.411 1.00 1.00 C ATOM 825 CG ARG A 110 17.091 6.450 13.373 1.00 1.00 C ATOM 826 CD ARG A 110 17.950 5.185 13.349 1.00 1.00 C ATOM 827 NE ARG A 110 19.360 5.537 13.674 1.00 1.00 N ATOM 828 CZ ARG A 110 20.071 4.747 14.431 1.00 1.00 C ATOM 829 NH1 ARG A 110 20.159 3.476 14.146 1.00 1.00 N ATOM 830 NH2 ARG A 110 20.693 5.226 15.473 1.00 1.00 N ATOM 0 H ARG A 110 12.970 7.699 13.993 1.00 1.00 H new ATOM 0 HA ARG A 110 15.409 8.012 12.517 1.00 1.00 H new ATOM 0 HB2 ARG A 110 15.324 5.785 14.425 1.00 1.00 H new ATOM 0 HB3 ARG A 110 15.438 5.190 12.781 1.00 1.00 H new ATOM 0 HG2 ARG A 110 17.296 7.058 12.492 1.00 1.00 H new ATOM 0 HG3 ARG A 110 17.341 7.056 14.244 1.00 1.00 H new ATOM 0 HD2 ARG A 110 17.570 4.460 14.069 1.00 1.00 H new ATOM 0 HD3 ARG A 110 17.898 4.716 12.367 1.00 1.00 H new ATOM 0 HE ARG A 110 19.770 6.395 13.305 1.00 1.00 H new ATOM 0 HH11 ARG A 110 19.672 3.101 13.332 1.00 1.00 H new ATOM 0 HH12 ARG A 110 20.715 2.858 14.737 1.00 1.00 H new ATOM 0 HH21 ARG A 110 20.624 6.219 15.697 1.00 1.00 H new ATOM 0 HH22 ARG A 110 21.249 4.608 16.064 1.00 1.00 H new ATOM 831 N PRO A 111 14.256 6.758 10.621 1.00 1.00 N ATOM 832 CA PRO A 111 13.448 6.320 9.492 1.00 1.00 C ATOM 833 C PRO A 111 13.260 4.802 9.541 1.00 1.00 C ATOM 834 O PRO A 111 14.209 4.052 9.634 1.00 1.00 O ATOM 835 CB PRO A 111 14.255 6.730 8.264 1.00 1.00 C ATOM 836 CG PRO A 111 15.723 6.779 8.793 1.00 1.00 C ATOM 837 CD PRO A 111 15.618 7.200 10.286 1.00 1.00 C ATOM 0 HA PRO A 111 12.450 6.758 9.489 1.00 1.00 H new ATOM 0 HB2 PRO A 111 14.145 6.011 7.453 1.00 1.00 H new ATOM 0 HB3 PRO A 111 13.935 7.698 7.878 1.00 1.00 H new ATOM 0 HG2 PRO A 111 16.208 5.808 8.693 1.00 1.00 H new ATOM 0 HG3 PRO A 111 16.320 7.493 8.226 1.00 1.00 H new ATOM 0 HD2 PRO A 111 16.371 6.711 10.904 1.00 1.00 H new ATOM 0 HD3 PRO A 111 15.745 8.274 10.419 1.00 1.00 H new ATOM 838 N TRP A 112 12.040 4.345 9.490 1.00 1.00 N ATOM 839 CA TRP A 112 11.792 2.878 9.545 1.00 1.00 C ATOM 840 C TRP A 112 11.042 2.431 8.290 1.00 1.00 C ATOM 841 O TRP A 112 10.717 3.225 7.431 1.00 1.00 O ATOM 842 CB TRP A 112 10.944 2.563 10.773 1.00 1.00 C ATOM 843 CG TRP A 112 9.767 3.480 10.804 1.00 1.00 C ATOM 844 CD1 TRP A 112 9.646 4.557 11.610 1.00 1.00 C ATOM 845 CD2 TRP A 112 8.552 3.427 10.003 1.00 1.00 C ATOM 846 NE1 TRP A 112 8.424 5.160 11.369 1.00 1.00 N ATOM 847 CE2 TRP A 112 7.715 4.501 10.385 1.00 1.00 C ATOM 848 CE3 TRP A 112 8.097 2.556 8.996 1.00 1.00 C ATOM 849 CZ2 TRP A 112 6.471 4.703 9.788 1.00 1.00 C ATOM 850 CZ3 TRP A 112 6.848 2.757 8.391 1.00 1.00 C ATOM 851 CH2 TRP A 112 6.036 3.828 8.786 1.00 1.00 C ATOM 0 H TRP A 112 11.204 4.924 9.413 1.00 1.00 H new ATOM 0 HA TRP A 112 12.745 2.351 9.602 1.00 1.00 H new ATOM 0 HB2 TRP A 112 10.611 1.525 10.744 1.00 1.00 H new ATOM 0 HB3 TRP A 112 11.537 2.682 11.680 1.00 1.00 H new ATOM 0 HD1 TRP A 112 10.382 4.893 12.325 1.00 1.00 H new ATOM 0 HE1 TRP A 112 8.088 5.990 11.858 1.00 1.00 H new ATOM 0 HE3 TRP A 112 8.715 1.726 8.686 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 5.847 5.529 10.097 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 6.511 2.083 7.617 1.00 1.00 H new ATOM 0 HH2 TRP A 112 5.075 3.978 8.317 1.00 1.00 H new ATOM 852 N CYS A 113 10.758 1.163 8.184 1.00 1.00 N ATOM 853 CA CYS A 113 10.019 0.656 6.994 1.00 1.00 C ATOM 854 C CYS A 113 9.310 -0.649 7.367 1.00 1.00 C ATOM 855 O CYS A 113 9.808 -1.433 8.148 1.00 1.00 O ATOM 856 CB CYS A 113 11.001 0.408 5.848 1.00 1.00 C ATOM 857 SG CYS A 113 10.115 -0.292 4.434 1.00 1.00 S ATOM 0 H CYS A 113 11.007 0.453 8.873 1.00 1.00 H new ATOM 0 HA CYS A 113 9.282 1.392 6.674 1.00 1.00 H new ATOM 0 HB2 CYS A 113 11.485 1.342 5.561 1.00 1.00 H new ATOM 0 HB3 CYS A 113 11.788 -0.273 6.171 1.00 1.00 H new ATOM 858 N TYR A 114 8.147 -0.881 6.823 1.00 1.00 N ATOM 859 CA TYR A 114 7.400 -2.128 7.156 1.00 1.00 C ATOM 860 C TYR A 114 8.139 -3.342 6.595 1.00 1.00 C ATOM 861 O TYR A 114 7.857 -3.814 5.512 1.00 1.00 O ATOM 862 CB TYR A 114 5.988 -2.036 6.569 1.00 1.00 C ATOM 863 CG TYR A 114 5.160 -1.165 7.482 1.00 1.00 C ATOM 864 CD1 TYR A 114 5.204 0.224 7.340 1.00 1.00 C ATOM 865 CD2 TYR A 114 4.376 -1.743 8.489 1.00 1.00 C ATOM 866 CE1 TYR A 114 4.461 1.042 8.201 1.00 1.00 C ATOM 867 CE2 TYR A 114 3.635 -0.927 9.354 1.00 1.00 C ATOM 868 CZ TYR A 114 3.677 0.467 9.208 1.00 1.00 C ATOM 869 OH TYR A 114 2.951 1.273 10.061 1.00 1.00 O ATOM 0 H TYR A 114 7.681 -0.260 6.161 1.00 1.00 H new ATOM 0 HA TYR A 114 7.330 -2.241 8.238 1.00 1.00 H new ATOM 0 HB2 TYR A 114 6.019 -1.614 5.565 1.00 1.00 H new ATOM 0 HB3 TYR A 114 5.545 -3.028 6.484 1.00 1.00 H new ATOM 0 HD1 TYR A 114 5.812 0.668 6.565 1.00 1.00 H new ATOM 0 HD2 TYR A 114 4.343 -2.817 8.598 1.00 1.00 H new ATOM 0 HE1 TYR A 114 4.493 2.116 8.088 1.00 1.00 H new ATOM 0 HE2 TYR A 114 3.032 -1.371 10.132 1.00 1.00 H new ATOM 0 HH TYR A 114 3.413 2.130 10.174 1.00 1.00 H new ATOM 870 N VAL A 115 9.086 -3.855 7.338 1.00 1.00 N ATOM 871 CA VAL A 115 9.850 -5.042 6.866 1.00 1.00 C ATOM 872 C VAL A 115 9.204 -6.306 7.439 1.00 1.00 C ATOM 873 O VAL A 115 8.755 -6.327 8.568 1.00 1.00 O ATOM 874 CB VAL A 115 11.312 -4.933 7.330 1.00 1.00 C ATOM 875 CG1 VAL A 115 11.771 -3.477 7.237 1.00 1.00 C ATOM 876 CG2 VAL A 115 11.449 -5.407 8.780 1.00 1.00 C ATOM 0 H VAL A 115 9.362 -3.500 8.254 1.00 1.00 H new ATOM 0 HA VAL A 115 9.833 -5.089 5.777 1.00 1.00 H new ATOM 0 HB VAL A 115 11.929 -5.561 6.688 1.00 1.00 H new ATOM 0 HG11 VAL A 115 12.807 -3.400 7.566 1.00 1.00 H new ATOM 0 HG12 VAL A 115 11.692 -3.136 6.205 1.00 1.00 H new ATOM 0 HG13 VAL A 115 11.141 -2.856 7.874 1.00 1.00 H new ATOM 0 HG21 VAL A 115 12.490 -5.324 9.093 1.00 1.00 H new ATOM 0 HG22 VAL A 115 10.825 -4.789 9.425 1.00 1.00 H new ATOM 0 HG23 VAL A 115 11.130 -6.447 8.855 1.00 1.00 H new ATOM 877 N GLN A 116 9.147 -7.355 6.670 1.00 1.00 N ATOM 878 CA GLN A 116 8.521 -8.609 7.174 1.00 1.00 C ATOM 879 C GLN A 116 9.289 -9.111 8.397 1.00 1.00 C ATOM 880 O GLN A 116 10.467 -9.401 8.330 1.00 1.00 O ATOM 881 CB GLN A 116 8.551 -9.674 6.079 1.00 1.00 C ATOM 882 CG GLN A 116 7.129 -9.926 5.572 1.00 1.00 C ATOM 883 CD GLN A 116 6.728 -11.370 5.878 1.00 1.00 C ATOM 884 OE1 GLN A 116 6.146 -11.647 6.907 1.00 1.00 O ATOM 885 NE2 GLN A 116 7.018 -12.310 5.020 1.00 1.00 N ATOM 0 H GLN A 116 9.506 -7.400 5.716 1.00 1.00 H new ATOM 0 HA GLN A 116 7.487 -8.408 7.454 1.00 1.00 H new ATOM 0 HB2 GLN A 116 9.189 -9.348 5.257 1.00 1.00 H new ATOM 0 HB3 GLN A 116 8.979 -10.598 6.467 1.00 1.00 H new ATOM 0 HG2 GLN A 116 6.434 -9.235 6.049 1.00 1.00 H new ATOM 0 HG3 GLN A 116 7.076 -9.742 4.499 1.00 1.00 H new ATOM 0 HE21 GLN A 116 7.507 -12.078 4.155 1.00 1.00 H new ATOM 0 HE22 GLN A 116 6.756 -13.276 5.214 1.00 1.00 H new ATOM 886 N VAL A 117 8.625 -9.219 9.513 1.00 1.00 N ATOM 887 CA VAL A 117 9.305 -9.707 10.745 1.00 1.00 C ATOM 888 C VAL A 117 8.806 -11.115 11.065 1.00 1.00 C ATOM 889 O VAL A 117 8.368 -11.396 12.163 1.00 1.00 O ATOM 890 CB VAL A 117 8.981 -8.772 11.912 1.00 1.00 C ATOM 891 CG1 VAL A 117 9.549 -9.357 13.207 1.00 1.00 C ATOM 892 CG2 VAL A 117 9.611 -7.401 11.655 1.00 1.00 C ATOM 0 H VAL A 117 7.638 -8.990 9.626 1.00 1.00 H new ATOM 0 HA VAL A 117 10.383 -9.726 10.588 1.00 1.00 H new ATOM 0 HB VAL A 117 7.900 -8.666 12.004 1.00 1.00 H new ATOM 0 HG11 VAL A 117 9.319 -8.691 14.039 1.00 1.00 H new ATOM 0 HG12 VAL A 117 9.104 -10.335 13.391 1.00 1.00 H new ATOM 0 HG13 VAL A 117 10.630 -9.462 13.115 1.00 1.00 H new ATOM 0 HG21 VAL A 117 9.381 -6.734 12.485 1.00 1.00 H new ATOM 0 HG22 VAL A 117 10.692 -7.509 11.564 1.00 1.00 H new ATOM 0 HG23 VAL A 117 9.209 -6.983 10.732 1.00 1.00 H new ATOM 893 N GLY A 118 8.859 -11.999 10.109 1.00 1.00 N ATOM 894 CA GLY A 118 8.379 -13.388 10.350 1.00 1.00 C ATOM 895 C GLY A 118 6.999 -13.556 9.714 1.00 1.00 C ATOM 896 O GLY A 118 6.815 -14.338 8.802 1.00 1.00 O ATOM 0 H GLY A 118 9.214 -11.820 9.170 1.00 1.00 H new ATOM 0 HA2 GLY A 118 9.079 -14.107 9.925 1.00 1.00 H new ATOM 0 HA3 GLY A 118 8.327 -13.588 11.420 1.00 1.00 H new ATOM 897 N LEU A 119 6.026 -12.826 10.188 1.00 1.00 N ATOM 898 CA LEU A 119 4.658 -12.944 9.607 1.00 1.00 C ATOM 899 C LEU A 119 3.906 -11.608 9.729 1.00 1.00 C ATOM 900 O LEU A 119 2.737 -11.517 9.410 1.00 1.00 O ATOM 901 CB LEU A 119 3.899 -14.069 10.327 1.00 1.00 C ATOM 902 CG LEU A 119 3.429 -13.616 11.712 1.00 1.00 C ATOM 903 CD1 LEU A 119 4.517 -12.788 12.401 1.00 1.00 C ATOM 904 CD2 LEU A 119 2.166 -12.777 11.555 1.00 1.00 C ATOM 0 H LEU A 119 6.119 -12.155 10.950 1.00 1.00 H new ATOM 0 HA LEU A 119 4.732 -13.188 8.547 1.00 1.00 H new ATOM 0 HB2 LEU A 119 3.040 -14.373 9.729 1.00 1.00 H new ATOM 0 HB3 LEU A 119 4.544 -14.942 10.426 1.00 1.00 H new ATOM 0 HG LEU A 119 3.221 -14.492 12.326 1.00 1.00 H new ATOM 0 HD11 LEU A 119 4.167 -12.474 13.384 1.00 1.00 H new ATOM 0 HD12 LEU A 119 5.418 -13.391 12.512 1.00 1.00 H new ATOM 0 HD13 LEU A 119 4.742 -11.908 11.798 1.00 1.00 H new ATOM 0 HD21 LEU A 119 1.823 -12.449 12.536 1.00 1.00 H new ATOM 0 HD22 LEU A 119 2.382 -11.906 10.937 1.00 1.00 H new ATOM 0 HD23 LEU A 119 1.389 -13.375 11.080 1.00 1.00 H new ATOM 905 N LYS A 120 4.566 -10.566 10.171 1.00 1.00 N ATOM 906 CA LYS A 120 3.884 -9.246 10.296 1.00 1.00 C ATOM 907 C LYS A 120 4.888 -8.124 9.999 1.00 1.00 C ATOM 908 O LYS A 120 5.784 -7.885 10.784 1.00 1.00 O ATOM 909 CB LYS A 120 3.355 -9.080 11.722 1.00 1.00 C ATOM 910 CG LYS A 120 1.886 -9.499 11.770 1.00 1.00 C ATOM 911 CD LYS A 120 1.016 -8.283 12.097 1.00 1.00 C ATOM 912 CE LYS A 120 1.044 -7.305 10.922 1.00 1.00 C ATOM 913 NZ LYS A 120 0.507 -7.975 9.704 1.00 1.00 N ATOM 0 H LYS A 120 5.547 -10.575 10.450 1.00 1.00 H new ATOM 0 HA LYS A 120 3.056 -9.197 9.588 1.00 1.00 H new ATOM 0 HB2 LYS A 120 3.941 -9.687 12.412 1.00 1.00 H new ATOM 0 HB3 LYS A 120 3.460 -8.043 12.042 1.00 1.00 H new ATOM 0 HG2 LYS A 120 1.587 -9.925 10.812 1.00 1.00 H new ATOM 0 HG3 LYS A 120 1.743 -10.274 12.523 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -0.008 -8.598 12.297 1.00 1.00 H new ATOM 0 HD3 LYS A 120 1.381 -7.794 13.000 1.00 1.00 H new ATOM 0 HE2 LYS A 120 0.450 -6.422 11.156 1.00 1.00 H new ATOM 0 HE3 LYS A 120 2.064 -6.964 10.743 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 0.256 -7.257 8.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 1.229 -8.612 9.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -0.339 -8.525 9.955 1.00 1.00 H new ATOM 914 N PRO A 121 4.715 -7.463 8.880 1.00 1.00 N ATOM 915 CA PRO A 121 5.602 -6.377 8.494 1.00 1.00 C ATOM 916 C PRO A 121 5.721 -5.369 9.639 1.00 1.00 C ATOM 917 O PRO A 121 4.883 -4.505 9.809 1.00 1.00 O ATOM 918 CB PRO A 121 4.932 -5.739 7.284 1.00 1.00 C ATOM 919 CG PRO A 121 4.039 -6.885 6.711 1.00 1.00 C ATOM 920 CD PRO A 121 3.630 -7.756 7.933 1.00 1.00 C ATOM 0 HA PRO A 121 6.611 -6.721 8.266 1.00 1.00 H new ATOM 0 HB2 PRO A 121 4.337 -4.871 7.567 1.00 1.00 H new ATOM 0 HB3 PRO A 121 5.665 -5.399 6.553 1.00 1.00 H new ATOM 0 HG2 PRO A 121 3.161 -6.481 6.207 1.00 1.00 H new ATOM 0 HG3 PRO A 121 4.585 -7.475 5.975 1.00 1.00 H new ATOM 0 HD2 PRO A 121 2.654 -7.475 8.328 1.00 1.00 H new ATOM 0 HD3 PRO A 121 3.579 -8.816 7.683 1.00 1.00 H new ATOM 921 N LEU A 122 6.755 -5.474 10.426 1.00 1.00 N ATOM 922 CA LEU A 122 6.929 -4.525 11.561 1.00 1.00 C ATOM 923 C LEU A 122 7.827 -3.369 11.115 1.00 1.00 C ATOM 924 O LEU A 122 8.795 -3.562 10.407 1.00 1.00 O ATOM 925 CB LEU A 122 7.578 -5.258 12.739 1.00 1.00 C ATOM 926 CG LEU A 122 6.676 -5.157 13.970 1.00 1.00 C ATOM 927 CD1 LEU A 122 7.445 -5.627 15.207 1.00 1.00 C ATOM 928 CD2 LEU A 122 6.237 -3.704 14.166 1.00 1.00 C ATOM 0 H LEU A 122 7.488 -6.177 10.332 1.00 1.00 H new ATOM 0 HA LEU A 122 5.959 -4.134 11.869 1.00 1.00 H new ATOM 0 HB2 LEU A 122 7.743 -6.304 12.482 1.00 1.00 H new ATOM 0 HB3 LEU A 122 8.555 -4.825 12.955 1.00 1.00 H new ATOM 0 HG LEU A 122 5.797 -5.786 13.827 1.00 1.00 H new ATOM 0 HD11 LEU A 122 6.802 -5.555 16.084 1.00 1.00 H new ATOM 0 HD12 LEU A 122 7.757 -6.662 15.070 1.00 1.00 H new ATOM 0 HD13 LEU A 122 8.324 -4.999 15.349 1.00 1.00 H new ATOM 0 HD21 LEU A 122 5.594 -3.633 15.043 1.00 1.00 H new ATOM 0 HD22 LEU A 122 7.115 -3.074 14.308 1.00 1.00 H new ATOM 0 HD23 LEU A 122 5.688 -3.368 13.286 1.00 1.00 H new ATOM 929 N VAL A 123 7.512 -2.167 11.514 1.00 1.00 N ATOM 930 CA VAL A 123 8.350 -1.007 11.099 1.00 1.00 C ATOM 931 C VAL A 123 9.717 -1.088 11.785 1.00 1.00 C ATOM 932 O VAL A 123 9.815 -1.107 12.996 1.00 1.00 O ATOM 933 CB VAL A 123 7.643 0.308 11.472 1.00 1.00 C ATOM 934 CG1 VAL A 123 6.128 0.115 11.380 1.00 1.00 C ATOM 935 CG2 VAL A 123 8.016 0.733 12.899 1.00 1.00 C ATOM 0 H VAL A 123 6.714 -1.939 12.107 1.00 1.00 H new ATOM 0 HA VAL A 123 8.494 -1.033 10.019 1.00 1.00 H new ATOM 0 HB VAL A 123 7.961 1.086 10.778 1.00 1.00 H new ATOM 0 HG11 VAL A 123 5.626 1.046 11.644 1.00 1.00 H new ATOM 0 HG12 VAL A 123 5.858 -0.167 10.362 1.00 1.00 H new ATOM 0 HG13 VAL A 123 5.819 -0.672 12.068 1.00 1.00 H new ATOM 0 HG21 VAL A 123 7.507 1.665 13.146 1.00 1.00 H new ATOM 0 HG22 VAL A 123 7.712 -0.043 13.601 1.00 1.00 H new ATOM 0 HG23 VAL A 123 9.094 0.880 12.965 1.00 1.00 H new ATOM 936 N GLN A 124 10.769 -1.129 11.020 1.00 1.00 N ATOM 937 CA GLN A 124 12.126 -1.199 11.623 1.00 1.00 C ATOM 938 C GLN A 124 12.937 0.012 11.158 1.00 1.00 C ATOM 939 O GLN A 124 13.010 0.302 9.981 1.00 1.00 O ATOM 940 CB GLN A 124 12.819 -2.489 11.173 1.00 1.00 C ATOM 941 CG GLN A 124 12.779 -3.512 12.309 1.00 1.00 C ATOM 942 CD GLN A 124 11.799 -4.631 11.953 1.00 1.00 C ATOM 943 OE1 GLN A 124 12.200 -5.752 11.712 1.00 1.00 O ATOM 944 NE2 GLN A 124 10.522 -4.370 11.909 1.00 1.00 N ATOM 0 H GLN A 124 10.748 -1.117 10.000 1.00 1.00 H new ATOM 0 HA GLN A 124 12.051 -1.195 12.710 1.00 1.00 H new ATOM 0 HB2 GLN A 124 12.324 -2.891 10.289 1.00 1.00 H new ATOM 0 HB3 GLN A 124 13.852 -2.281 10.893 1.00 1.00 H new ATOM 0 HG2 GLN A 124 13.774 -3.925 12.476 1.00 1.00 H new ATOM 0 HG3 GLN A 124 12.474 -3.029 13.237 1.00 1.00 H new ATOM 0 HE21 GLN A 124 10.187 -3.428 12.112 1.00 1.00 H new ATOM 0 HE22 GLN A 124 9.859 -5.108 11.672 1.00 1.00 H new ATOM 945 N GLU A 125 13.540 0.727 12.071 1.00 1.00 N ATOM 946 CA GLU A 125 14.339 1.920 11.670 1.00 1.00 C ATOM 947 C GLU A 125 15.284 1.527 10.532 1.00 1.00 C ATOM 948 O GLU A 125 15.313 0.393 10.106 1.00 1.00 O ATOM 949 CB GLU A 125 15.157 2.416 12.864 1.00 1.00 C ATOM 950 CG GLU A 125 14.222 2.697 14.041 1.00 1.00 C ATOM 951 CD GLU A 125 15.012 3.344 15.180 1.00 1.00 C ATOM 952 OE1 GLU A 125 16.222 3.183 15.201 1.00 1.00 O ATOM 953 OE2 GLU A 125 14.395 3.989 16.011 1.00 1.00 O ATOM 0 H GLU A 125 13.514 0.537 13.073 1.00 1.00 H new ATOM 0 HA GLU A 125 13.671 2.715 11.338 1.00 1.00 H new ATOM 0 HB2 GLU A 125 15.899 1.669 13.146 1.00 1.00 H new ATOM 0 HB3 GLU A 125 15.702 3.321 12.595 1.00 1.00 H new ATOM 0 HG2 GLU A 125 13.412 3.356 13.726 1.00 1.00 H new ATOM 0 HG3 GLU A 125 13.763 1.770 14.384 1.00 1.00 H new ATOM 954 N CYS A 126 16.061 2.445 10.035 1.00 1.00 N ATOM 955 CA CYS A 126 16.994 2.096 8.927 1.00 1.00 C ATOM 956 C CYS A 126 18.433 2.382 9.361 1.00 1.00 C ATOM 957 O CYS A 126 18.759 3.478 9.772 1.00 1.00 O ATOM 958 CB CYS A 126 16.659 2.938 7.694 1.00 1.00 C ATOM 959 SG CYS A 126 15.350 2.126 6.744 1.00 1.00 S ATOM 0 H CYS A 126 16.092 3.416 10.344 1.00 1.00 H new ATOM 0 HA CYS A 126 16.890 1.038 8.686 1.00 1.00 H new ATOM 0 HB2 CYS A 126 16.338 3.934 7.998 1.00 1.00 H new ATOM 0 HB3 CYS A 126 17.547 3.064 7.075 1.00 1.00 H new ATOM 960 N MET A 127 19.300 1.410 9.272 1.00 1.00 N ATOM 961 CA MET A 127 20.715 1.640 9.680 1.00 1.00 C ATOM 962 C MET A 127 21.464 2.338 8.542 1.00 1.00 C ATOM 963 O MET A 127 21.718 1.757 7.506 1.00 1.00 O ATOM 964 CB MET A 127 21.388 0.301 9.988 1.00 1.00 C ATOM 965 CG MET A 127 21.186 -0.658 8.813 1.00 1.00 C ATOM 966 SD MET A 127 22.784 -1.342 8.311 1.00 1.00 S ATOM 967 CE MET A 127 22.660 -0.940 6.551 1.00 1.00 C ATOM 0 H MET A 127 19.091 0.470 8.936 1.00 1.00 H new ATOM 0 HA MET A 127 20.737 2.267 10.572 1.00 1.00 H new ATOM 0 HB2 MET A 127 22.452 0.451 10.169 1.00 1.00 H new ATOM 0 HB3 MET A 127 20.967 -0.128 10.897 1.00 1.00 H new ATOM 0 HG2 MET A 127 20.508 -1.462 9.099 1.00 1.00 H new ATOM 0 HG3 MET A 127 20.724 -0.133 7.977 1.00 1.00 H new ATOM 0 HE1 MET A 127 23.152 -1.716 5.965 1.00 1.00 H new ATOM 0 HE2 MET A 127 21.610 -0.880 6.265 1.00 1.00 H new ATOM 0 HE3 MET A 127 23.143 0.019 6.362 1.00 1.00 H new ATOM 968 N VAL A 128 21.817 3.580 8.727 1.00 1.00 N ATOM 969 CA VAL A 128 22.547 4.315 7.655 1.00 1.00 C ATOM 970 C VAL A 128 23.555 5.276 8.288 1.00 1.00 C ATOM 971 O VAL A 128 23.854 6.321 7.747 1.00 1.00 O ATOM 972 CB VAL A 128 21.547 5.110 6.815 1.00 1.00 C ATOM 973 CG1 VAL A 128 20.570 4.148 6.136 1.00 1.00 C ATOM 974 CG2 VAL A 128 20.771 6.067 7.722 1.00 1.00 C ATOM 0 H VAL A 128 21.632 4.118 9.574 1.00 1.00 H new ATOM 0 HA VAL A 128 23.074 3.603 7.020 1.00 1.00 H new ATOM 0 HB VAL A 128 22.082 5.679 6.055 1.00 1.00 H new ATOM 0 HG11 VAL A 128 19.857 4.715 5.537 1.00 1.00 H new ATOM 0 HG12 VAL A 128 21.122 3.464 5.491 1.00 1.00 H new ATOM 0 HG13 VAL A 128 20.034 3.578 6.895 1.00 1.00 H new ATOM 0 HG21 VAL A 128 20.057 6.635 7.126 1.00 1.00 H new ATOM 0 HG22 VAL A 128 20.236 5.496 8.481 1.00 1.00 H new ATOM 0 HG23 VAL A 128 21.466 6.753 8.207 1.00 1.00 H new ATOM 975 N HIS A 129 24.082 4.931 9.431 1.00 1.00 N ATOM 976 CA HIS A 129 25.070 5.828 10.094 1.00 1.00 C ATOM 977 C HIS A 129 26.466 5.548 9.533 1.00 1.00 C ATOM 978 O HIS A 129 26.668 4.613 8.785 1.00 1.00 O ATOM 979 CB HIS A 129 25.064 5.570 11.602 1.00 1.00 C ATOM 980 CG HIS A 129 25.600 6.777 12.321 1.00 1.00 C ATOM 981 ND1 HIS A 129 24.966 8.009 12.272 1.00 1.00 N ATOM 982 CD2 HIS A 129 26.708 6.958 13.112 1.00 1.00 C ATOM 983 CE1 HIS A 129 25.690 8.868 13.012 1.00 1.00 C ATOM 984 NE2 HIS A 129 26.762 8.279 13.548 1.00 1.00 N ATOM 0 H HIS A 129 23.872 4.069 9.933 1.00 1.00 H new ATOM 0 HA HIS A 129 24.803 6.868 9.904 1.00 1.00 H new ATOM 0 HB2 HIS A 129 24.051 5.353 11.940 1.00 1.00 H new ATOM 0 HB3 HIS A 129 25.672 4.696 11.834 1.00 1.00 H new ATOM 0 HD2 HIS A 129 27.428 6.192 13.358 1.00 1.00 H new ATOM 0 HE1 HIS A 129 25.435 9.908 13.155 1.00 1.00 H new ATOM 0 HE2 HIS A 129 27.468 8.705 14.148 1.00 1.00 H new